USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=44 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 180:sc= 0.112 USER MOD Set 1.2: A 126 GLN : amide:sc= -0.591! C(o=-0.48!,f=-2.8!) USER MOD Set 2.1: A 69 CYS SG : rot -15:sc= -4.19! USER MOD Set 2.2: A 107 ASN : amide:sc= -2.87! C(o=-7.1!,f=-14!) USER MOD Set 3.1: A 56 GLN : amide:sc= -3.41! C(o=-3.5!,f=-6.3!) USER MOD Set 3.2: A 57 TYR OH : rot 141:sc= -0.0723 USER MOD Set 4.1: A 52 ASN : amide:sc= -1.84! C(o=-2.6!,f=-12!) USER MOD Set 4.2: A 54 THR OG1 : rot 13:sc= -0.0883 USER MOD Set 4.3: A 59 MET CE :methyl 169:sc= -0.712 (180deg=-0.00744) USER MOD Set 5.1: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 98 THR OG1 : rot -116:sc= 0.38 USER MOD Set 6.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 11 SER OG : rot 180:sc= 0.35 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.744 (180deg=-0.235!) USER MOD Single : A 3 CYS SG : rot 84:sc= 0.216 USER MOD Single : A 7 SER OG : rot 180:sc= -0.464 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= -3.17! C(o=-4.1!,f=-3.2!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -108:sc= -1.5 (180deg=-4.85!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -2.9! C(o=-6.3!,f=-2.9!) USER MOD Single : A 42 ASN : amide:sc= -3.86 X(o=-3.9,f=-4.1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 132:sc= -0.166 (180deg=-1.17!) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.4 (180deg=-1.68!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.623 F(o=-1.3!,f=-0.62) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -3.86 K(o=-3.9,f=-9.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.893 F(o=-2.3!,f=-0.89) USER MOD Single : A 72 LYS NZ :NH3+ -113:sc= 0.709 (180deg=-3.01!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 101:sc= -0.133 USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.172) USER MOD Single : A 81 GLN : amide:sc= -2.26 K(o=-2.3,f=-4.2!) USER MOD Single : A 82 GLN :FLIP amide:sc= -2.05 F(o=-4.5!,f=-2) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.5 F(o=-12!,f=-3.5) 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=-0.00192 USER MOD Single : A 100 MET CE :methyl -150:sc= -0.894 (180deg=-3.45!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -163:sc= -0.0427 (180deg=-0.603) USER MOD Single : A 113 MET CE :methyl -143:sc= -0.533 (180deg=-4.77!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 125 HIS : no HE2:sc= -1.61 X(o=-1.6,f=-1.8) USER MOD Single : A 129 LYS NZ :NH3+ -124:sc= -1.4 (180deg=-3.64!) USER MOD Single : A 131 LYS NZ :NH3+ 156:sc= -0.233 (180deg=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.826 -19.240 17.314 1.00 0.00 N ATOM 2 CA MET A 1 7.641 -19.799 16.604 1.00 0.00 C ATOM 3 C MET A 1 8.100 -20.504 15.333 1.00 0.00 C ATOM 4 O MET A 1 8.817 -19.928 14.515 1.00 0.00 O ATOM 5 CB MET A 1 6.678 -18.662 16.254 1.00 0.00 C ATOM 6 CG MET A 1 6.182 -17.999 17.538 1.00 0.00 C ATOM 7 SD MET A 1 7.461 -16.889 18.177 1.00 0.00 S ATOM 8 CE MET A 1 6.974 -16.960 19.919 1.00 0.00 C ATOM 0 H1 MET A 1 8.658 -18.237 17.533 1.00 0.00 H new ATOM 0 H2 MET A 1 8.982 -19.766 18.197 1.00 0.00 H new ATOM 0 H3 MET A 1 9.666 -19.326 16.707 1.00 0.00 H new ATOM 0 HA MET A 1 7.130 -20.517 17.246 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.180 -17.928 15.624 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.834 -19.049 15.683 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.266 -17.441 17.342 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.940 -18.758 18.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.643 -16.334 20.510 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.951 -16.599 20.026 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.034 -17.989 20.272 1.00 0.00 H new ATOM 18 N GLY A 2 7.680 -21.755 15.172 1.00 0.00 N ATOM 19 CA GLY A 2 8.054 -22.531 13.996 1.00 0.00 C ATOM 20 C GLY A 2 7.670 -21.798 12.715 1.00 0.00 C ATOM 21 O GLY A 2 8.355 -21.904 11.699 1.00 0.00 O ATOM 0 H GLY A 2 7.085 -22.250 15.836 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.128 -22.717 14.005 1.00 0.00 H new ATOM 0 HA3 GLY A 2 7.561 -23.503 14.025 1.00 0.00 H new ATOM 25 N CYS A 3 6.569 -21.056 12.772 1.00 0.00 N ATOM 26 CA CYS A 3 6.102 -20.310 11.610 1.00 0.00 C ATOM 27 C CYS A 3 6.143 -21.185 10.360 1.00 0.00 C ATOM 28 O CYS A 3 6.698 -20.791 9.334 1.00 0.00 O ATOM 29 CB CYS A 3 6.975 -19.072 11.398 1.00 0.00 C ATOM 30 SG CYS A 3 7.155 -18.185 12.965 1.00 0.00 S ATOM 0 H CYS A 3 5.987 -20.956 13.604 1.00 0.00 H new ATOM 0 HA CYS A 3 5.072 -20.001 11.790 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.954 -19.365 11.019 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.525 -18.421 10.649 1.00 0.00 H new ATOM 0 HG CYS A 3 8.119 -18.717 13.656 1.00 0.00 H new ATOM 36 N GLY A 4 5.552 -22.371 10.454 1.00 0.00 N ATOM 37 CA GLY A 4 5.528 -23.293 9.325 1.00 0.00 C ATOM 38 C GLY A 4 4.936 -22.625 8.089 1.00 0.00 C ATOM 39 O GLY A 4 5.310 -22.941 6.960 1.00 0.00 O ATOM 0 H GLY A 4 5.086 -22.715 11.294 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.540 -23.636 9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.941 -24.175 9.583 1.00 0.00 H new ATOM 43 N ALA A 5 4.008 -21.699 8.310 1.00 0.00 N ATOM 44 CA ALA A 5 3.370 -20.992 7.206 1.00 0.00 C ATOM 45 C ALA A 5 3.068 -19.549 7.597 1.00 0.00 C ATOM 46 O ALA A 5 2.963 -19.224 8.779 1.00 0.00 O ATOM 47 CB ALA A 5 2.069 -21.698 6.816 1.00 0.00 C ATOM 0 H ALA A 5 3.683 -21.422 9.237 1.00 0.00 H new ATOM 0 HA ALA A 5 4.053 -20.992 6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.598 -21.164 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.288 -22.721 6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.393 -21.713 7.671 1.00 0.00 H new ATOM 53 N SER A 6 2.932 -18.686 6.595 1.00 0.00 N ATOM 54 CA SER A 6 2.643 -17.278 6.846 1.00 0.00 C ATOM 55 C SER A 6 1.233 -17.111 7.403 1.00 0.00 C ATOM 56 O SER A 6 0.309 -17.818 7.001 1.00 0.00 O ATOM 57 CB SER A 6 2.780 -16.479 5.551 1.00 0.00 C ATOM 58 OG SER A 6 2.584 -15.099 5.828 1.00 0.00 O ATOM 0 H SER A 6 3.016 -18.934 5.609 1.00 0.00 H new ATOM 0 HA SER A 6 3.357 -16.905 7.580 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.766 -16.638 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.049 -16.822 4.819 1.00 0.00 H new ATOM 0 HG SER A 6 2.673 -14.583 4.999 1.00 0.00 H new ATOM 64 N SER A 7 1.076 -16.172 8.330 1.00 0.00 N ATOM 65 CA SER A 7 -0.227 -15.920 8.935 1.00 0.00 C ATOM 66 C SER A 7 -1.123 -15.148 7.974 1.00 0.00 C ATOM 67 O SER A 7 -0.648 -14.554 7.006 1.00 0.00 O ATOM 68 CB SER A 7 -0.056 -15.122 10.228 1.00 0.00 C ATOM 69 OG SER A 7 0.270 -13.775 9.909 1.00 0.00 O ATOM 0 H SER A 7 1.828 -15.577 8.677 1.00 0.00 H new ATOM 0 HA SER A 7 -0.695 -16.879 9.159 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.974 -15.157 10.815 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.730 -15.563 10.840 1.00 0.00 H new ATOM 0 HG SER A 7 0.379 -13.260 10.736 1.00 0.00 H new ATOM 75 N GLU A 8 -2.425 -15.160 8.246 1.00 0.00 N ATOM 76 CA GLU A 8 -3.379 -14.458 7.398 1.00 0.00 C ATOM 77 C GLU A 8 -3.622 -13.045 7.919 1.00 0.00 C ATOM 78 O GLU A 8 -3.441 -12.771 9.106 1.00 0.00 O ATOM 79 CB GLU A 8 -4.704 -15.223 7.357 1.00 0.00 C ATOM 80 CG GLU A 8 -4.468 -16.622 6.783 1.00 0.00 C ATOM 81 CD GLU A 8 -5.794 -17.367 6.664 1.00 0.00 C ATOM 82 OE1 GLU A 8 -6.780 -16.868 7.181 1.00 0.00 O ATOM 83 OE2 GLU A 8 -5.804 -18.424 6.056 1.00 0.00 O ATOM 0 H GLU A 8 -2.840 -15.645 9.042 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.964 -14.396 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.125 -15.296 8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.428 -14.685 6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.994 -16.547 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.786 -17.178 7.426 1.00 0.00 H new ATOM 90 N ASN A 9 -4.034 -12.152 7.025 1.00 0.00 N ATOM 91 CA ASN A 9 -4.300 -10.770 7.407 1.00 0.00 C ATOM 92 C ASN A 9 -3.066 -10.146 8.055 1.00 0.00 C ATOM 93 O ASN A 9 -3.166 -9.472 9.080 1.00 0.00 O ATOM 94 CB ASN A 9 -5.474 -10.714 8.386 1.00 0.00 C ATOM 95 CG ASN A 9 -6.704 -11.362 7.759 1.00 0.00 C ATOM 96 OD1 ASN A 9 -6.987 -11.149 6.580 1.00 0.00 O ATOM 97 ND2 ASN A 9 -7.457 -12.146 8.483 1.00 0.00 N ATOM 0 H ASN A 9 -4.190 -12.358 6.038 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.550 -10.207 6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.213 -11.229 9.311 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.691 -9.679 8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.282 -12.583 8.072 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.220 -12.321 9.460 1.00 0.00 H new ATOM 104 N SER A 10 -1.906 -10.377 7.450 1.00 0.00 N ATOM 105 CA SER A 10 -0.660 -9.833 7.976 1.00 0.00 C ATOM 106 C SER A 10 0.423 -9.831 6.901 1.00 0.00 C ATOM 107 O SER A 10 1.339 -9.011 6.930 1.00 0.00 O ATOM 108 CB SER A 10 -0.192 -10.663 9.171 1.00 0.00 C ATOM 109 OG SER A 10 1.195 -10.436 9.387 1.00 0.00 O ATOM 0 H SER A 10 -1.803 -10.933 6.601 1.00 0.00 H new ATOM 0 HA SER A 10 -0.841 -8.806 8.294 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.759 -10.392 10.061 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.375 -11.722 8.987 1.00 0.00 H new ATOM 0 HG SER A 10 1.498 -10.966 10.154 1.00 0.00 H new ATOM 115 N SER A 11 0.307 -10.755 5.952 1.00 0.00 N ATOM 116 CA SER A 11 1.281 -10.852 4.871 1.00 0.00 C ATOM 117 C SER A 11 1.170 -9.649 3.941 1.00 0.00 C ATOM 118 O SER A 11 0.632 -8.607 4.319 1.00 0.00 O ATOM 119 CB SER A 11 1.053 -12.137 4.075 1.00 0.00 C ATOM 120 OG SER A 11 2.235 -12.459 3.354 1.00 0.00 O ATOM 0 H SER A 11 -0.446 -11.442 5.909 1.00 0.00 H new ATOM 0 HA SER A 11 2.279 -10.869 5.308 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.790 -12.953 4.748 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.217 -12.009 3.387 1.00 0.00 H new ATOM 0 HG SER A 11 2.093 -13.284 2.844 1.00 0.00 H new ATOM 126 N VAL A 12 1.679 -9.799 2.722 1.00 0.00 N ATOM 127 CA VAL A 12 1.630 -8.715 1.746 1.00 0.00 C ATOM 128 C VAL A 12 1.176 -9.241 0.388 1.00 0.00 C ATOM 129 O VAL A 12 1.572 -10.329 -0.032 1.00 0.00 O ATOM 130 CB VAL A 12 3.010 -8.071 1.611 1.00 0.00 C ATOM 131 CG1 VAL A 12 2.896 -6.786 0.789 1.00 0.00 C ATOM 132 CG2 VAL A 12 3.555 -7.738 3.002 1.00 0.00 C ATOM 0 H VAL A 12 2.126 -10.653 2.388 1.00 0.00 H new ATOM 0 HA VAL A 12 0.915 -7.969 2.093 1.00 0.00 H new ATOM 0 HB VAL A 12 3.686 -8.764 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.880 -6.327 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.507 -7.021 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.220 -6.093 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.539 -7.279 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.878 -7.045 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.637 -8.653 3.589 1.00 0.00 H new ATOM 142 N THR A 13 0.343 -8.462 -0.294 1.00 0.00 N ATOM 143 CA THR A 13 -0.157 -8.860 -1.605 1.00 0.00 C ATOM 144 C THR A 13 -0.056 -7.703 -2.593 1.00 0.00 C ATOM 145 O THR A 13 -0.039 -6.536 -2.199 1.00 0.00 O ATOM 146 CB THR A 13 -1.616 -9.310 -1.492 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.024 -9.896 -2.719 1.00 0.00 O ATOM 148 CG2 THR A 13 -2.501 -8.101 -1.182 1.00 0.00 C ATOM 0 H THR A 13 0.002 -7.559 0.036 1.00 0.00 H new ATOM 0 HA THR A 13 0.453 -9.687 -1.969 1.00 0.00 H new ATOM 0 HB THR A 13 -1.711 -10.042 -0.690 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.957 -10.186 -2.648 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.540 -8.422 -1.102 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.186 -7.651 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.409 -7.368 -1.983 1.00 0.00 H new ATOM 156 N TYR A 14 0.009 -8.034 -3.879 1.00 0.00 N ATOM 157 CA TYR A 14 0.110 -7.016 -4.917 1.00 0.00 C ATOM 158 C TYR A 14 -0.961 -7.230 -5.981 1.00 0.00 C ATOM 159 O TYR A 14 -1.595 -8.284 -6.032 1.00 0.00 O ATOM 160 CB TYR A 14 1.495 -7.066 -5.566 1.00 0.00 C ATOM 161 CG TYR A 14 2.552 -6.805 -4.521 1.00 0.00 C ATOM 162 CD1 TYR A 14 3.056 -7.863 -3.753 1.00 0.00 C ATOM 163 CD2 TYR A 14 3.030 -5.505 -4.317 1.00 0.00 C ATOM 164 CE1 TYR A 14 4.036 -7.621 -2.784 1.00 0.00 C ATOM 165 CE2 TYR A 14 4.010 -5.262 -3.348 1.00 0.00 C ATOM 166 CZ TYR A 14 4.513 -6.321 -2.581 1.00 0.00 C ATOM 167 OH TYR A 14 5.480 -6.081 -1.626 1.00 0.00 O ATOM 0 H TYR A 14 -0.006 -8.993 -4.225 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.039 -6.039 -4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.657 -8.040 -6.027 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.563 -6.323 -6.360 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.688 -8.866 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.642 -4.689 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.424 -8.437 -2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.378 -4.259 -3.192 1.00 0.00 H new ATOM 0 HH TYR A 14 5.699 -5.126 -1.615 1.00 0.00 H new ATOM 177 N VAL A 15 -1.158 -6.225 -6.828 1.00 0.00 N ATOM 178 CA VAL A 15 -2.164 -6.314 -7.880 1.00 0.00 C ATOM 179 C VAL A 15 -1.635 -5.718 -9.180 1.00 0.00 C ATOM 180 O VAL A 15 -1.598 -6.389 -10.212 1.00 0.00 O ATOM 181 CB VAL A 15 -3.431 -5.572 -7.454 1.00 0.00 C ATOM 182 CG1 VAL A 15 -3.066 -4.455 -6.476 1.00 0.00 C ATOM 183 CG2 VAL A 15 -4.104 -4.965 -8.689 1.00 0.00 C ATOM 0 H VAL A 15 -0.639 -5.347 -6.808 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.397 -7.366 -8.045 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.114 -6.270 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.970 -3.927 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.585 -4.884 -5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.383 -3.757 -6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.008 -4.435 -8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.419 -4.268 -9.171 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.365 -5.759 -9.388 1.00 0.00 H new ATOM 193 N ASN A 16 -1.229 -4.454 -9.124 1.00 0.00 N ATOM 194 CA ASN A 16 -0.722 -3.771 -10.309 1.00 0.00 C ATOM 195 C ASN A 16 0.628 -4.347 -10.725 1.00 0.00 C ATOM 196 O ASN A 16 1.006 -4.284 -11.894 1.00 0.00 O ATOM 197 CB ASN A 16 -0.577 -2.275 -10.026 1.00 0.00 C ATOM 198 CG ASN A 16 -1.941 -1.669 -9.714 1.00 0.00 C ATOM 199 OD1 ASN A 16 -2.091 -0.943 -8.641 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.894 -1.863 -10.467 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.241 -3.885 -8.278 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.432 -3.920 -11.123 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.100 -2.119 -9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.136 -1.774 -10.888 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.774 -2.431 -11.306 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.804 -1.456 -10.253 1.00 0.00 H new ATOM 207 N GLY A 17 1.350 -4.906 -9.760 1.00 0.00 N ATOM 208 CA GLY A 17 2.658 -5.489 -10.038 1.00 0.00 C ATOM 209 C GLY A 17 3.514 -5.536 -8.778 1.00 0.00 C ATOM 210 O GLY A 17 3.073 -5.136 -7.701 1.00 0.00 O ATOM 0 H GLY A 17 1.055 -4.968 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.534 -6.496 -10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.165 -4.904 -10.805 1.00 0.00 H new ATOM 214 N ARG A 18 4.742 -6.025 -8.920 1.00 0.00 N ATOM 215 CA ARG A 18 5.652 -6.120 -7.785 1.00 0.00 C ATOM 216 C ARG A 18 6.719 -5.033 -7.863 1.00 0.00 C ATOM 217 O ARG A 18 7.234 -4.730 -8.940 1.00 0.00 O ATOM 218 CB ARG A 18 6.321 -7.496 -7.766 1.00 0.00 C ATOM 219 CG ARG A 18 5.303 -8.565 -8.169 1.00 0.00 C ATOM 220 CD ARG A 18 4.144 -8.569 -7.170 1.00 0.00 C ATOM 221 NE ARG A 18 4.656 -8.575 -5.804 1.00 0.00 N ATOM 222 CZ ARG A 18 5.203 -9.667 -5.280 1.00 0.00 C ATOM 223 NH1 ARG A 18 5.291 -10.758 -5.991 1.00 0.00 N ATOM 224 NH2 ARG A 18 5.653 -9.648 -4.055 1.00 0.00 N ATOM 0 H ARG A 18 5.127 -6.359 -9.803 1.00 0.00 H new ATOM 0 HA ARG A 18 5.077 -5.984 -6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.169 -7.509 -8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.712 -7.708 -6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.930 -8.367 -9.174 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.779 -9.545 -8.193 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.516 -7.692 -7.327 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.516 -9.444 -7.334 1.00 0.00 H new ATOM 0 HE ARG A 18 4.593 -7.727 -5.241 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.940 -10.772 -6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.711 -11.596 -5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.585 -8.795 -3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.073 -10.486 -3.653 1.00 0.00 H new ATOM 238 N PRO A 19 7.052 -4.446 -6.746 1.00 0.00 N ATOM 239 CA PRO A 19 8.086 -3.376 -6.673 1.00 0.00 C ATOM 240 C PRO A 19 9.355 -3.747 -7.436 1.00 0.00 C ATOM 241 O PRO A 19 9.747 -4.913 -7.479 1.00 0.00 O ATOM 242 CB PRO A 19 8.365 -3.250 -5.175 1.00 0.00 C ATOM 243 CG PRO A 19 7.113 -3.699 -4.496 1.00 0.00 C ATOM 244 CD PRO A 19 6.448 -4.728 -5.415 1.00 0.00 C ATOM 0 HA PRO A 19 7.748 -2.446 -7.129 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.214 -3.867 -4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.610 -2.222 -4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.338 -4.139 -3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.447 -2.855 -4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.652 -5.748 -5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.365 -4.610 -5.433 1.00 0.00 H new ATOM 252 N THR A 20 9.992 -2.747 -8.036 1.00 0.00 N ATOM 253 CA THR A 20 11.223 -2.975 -8.783 1.00 0.00 C ATOM 254 C THR A 20 12.397 -3.181 -7.830 1.00 0.00 C ATOM 255 O THR A 20 13.330 -3.926 -8.130 1.00 0.00 O ATOM 256 CB THR A 20 11.509 -1.781 -9.697 1.00 0.00 C ATOM 257 OG1 THR A 20 10.384 -1.546 -10.531 1.00 0.00 O ATOM 258 CG2 THR A 20 12.734 -2.079 -10.562 1.00 0.00 C ATOM 0 H THR A 20 9.678 -1.777 -8.020 1.00 0.00 H new ATOM 0 HA THR A 20 11.098 -3.873 -9.388 1.00 0.00 H new ATOM 0 HB THR A 20 11.703 -0.897 -9.090 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.565 -0.781 -11.116 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.936 -1.228 -11.212 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.597 -2.259 -9.921 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.543 -2.963 -11.170 1.00 0.00 H new ATOM 266 N PHE A 21 12.343 -2.516 -6.681 1.00 0.00 N ATOM 267 CA PHE A 21 13.406 -2.631 -5.690 1.00 0.00 C ATOM 268 C PHE A 21 13.096 -3.747 -4.698 1.00 0.00 C ATOM 269 O PHE A 21 11.955 -3.902 -4.262 1.00 0.00 O ATOM 270 CB PHE A 21 13.566 -1.307 -4.940 1.00 0.00 C ATOM 271 CG PHE A 21 14.676 -1.433 -3.924 1.00 0.00 C ATOM 272 CD1 PHE A 21 16.011 -1.442 -4.345 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.370 -1.539 -2.562 1.00 0.00 C ATOM 274 CE1 PHE A 21 17.041 -1.560 -3.403 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.399 -1.655 -1.621 1.00 0.00 C ATOM 276 CZ PHE A 21 16.734 -1.667 -2.041 1.00 0.00 C ATOM 0 H PHE A 21 11.579 -1.895 -6.414 1.00 0.00 H new ATOM 0 HA PHE A 21 14.335 -2.869 -6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.791 -0.504 -5.642 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.632 -1.043 -4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.247 -1.358 -5.396 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.340 -1.531 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.071 -1.568 -3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.163 -1.735 -0.570 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.528 -1.759 -1.314 1.00 0.00 H new ATOM 286 N VAL A 22 14.117 -4.523 -4.347 1.00 0.00 N ATOM 287 CA VAL A 22 13.941 -5.618 -3.401 1.00 0.00 C ATOM 288 C VAL A 22 14.549 -5.262 -2.048 1.00 0.00 C ATOM 289 O VAL A 22 15.409 -4.387 -1.955 1.00 0.00 O ATOM 290 CB VAL A 22 14.603 -6.887 -3.942 1.00 0.00 C ATOM 291 CG1 VAL A 22 13.525 -7.868 -4.407 1.00 0.00 C ATOM 292 CG2 VAL A 22 15.505 -6.525 -5.123 1.00 0.00 C ATOM 0 H VAL A 22 15.068 -4.415 -4.701 1.00 0.00 H new ATOM 0 HA VAL A 22 12.873 -5.792 -3.271 1.00 0.00 H new ATOM 0 HB VAL A 22 15.199 -7.350 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.997 -8.772 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.880 -8.125 -3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.928 -7.407 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.978 -7.428 -5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.908 -6.063 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.274 -5.826 -4.793 1.00 0.00 H new ATOM 302 N GLY A 23 14.096 -5.946 -1.003 1.00 0.00 N ATOM 303 CA GLY A 23 14.602 -5.690 0.342 1.00 0.00 C ATOM 304 C GLY A 23 14.403 -6.907 1.239 1.00 0.00 C ATOM 305 O GLY A 23 14.778 -8.023 0.880 1.00 0.00 O ATOM 0 H GLY A 23 13.386 -6.676 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.661 -5.438 0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.088 -4.829 0.771 1.00 0.00 H new ATOM 309 N GLU A 24 13.811 -6.684 2.407 1.00 0.00 N ATOM 310 CA GLU A 24 13.567 -7.772 3.349 1.00 0.00 C ATOM 311 C GLU A 24 12.254 -7.552 4.094 1.00 0.00 C ATOM 312 O GLU A 24 11.300 -8.310 3.925 1.00 0.00 O ATOM 313 CB GLU A 24 14.718 -7.860 4.352 1.00 0.00 C ATOM 314 CG GLU A 24 14.597 -9.157 5.155 1.00 0.00 C ATOM 315 CD GLU A 24 14.888 -10.355 4.257 1.00 0.00 C ATOM 316 OE1 GLU A 24 15.581 -10.175 3.269 1.00 0.00 O ATOM 317 OE2 GLU A 24 14.412 -11.434 4.569 1.00 0.00 O ATOM 0 H GLU A 24 13.493 -5.768 2.723 1.00 0.00 H new ATOM 0 HA GLU A 24 13.501 -8.705 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.674 -7.832 3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.696 -7.001 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.294 -9.142 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.595 -9.242 5.576 1.00 0.00 H new ATOM 324 N GLU A 25 12.215 -6.510 4.919 1.00 0.00 N ATOM 325 CA GLU A 25 11.011 -6.197 5.680 1.00 0.00 C ATOM 326 C GLU A 25 10.087 -5.292 4.874 1.00 0.00 C ATOM 327 O GLU A 25 10.505 -4.248 4.374 1.00 0.00 O ATOM 328 CB GLU A 25 11.388 -5.506 6.992 1.00 0.00 C ATOM 329 CG GLU A 25 10.157 -5.420 7.896 1.00 0.00 C ATOM 330 CD GLU A 25 9.769 -6.811 8.384 1.00 0.00 C ATOM 331 OE1 GLU A 25 10.640 -7.666 8.428 1.00 0.00 O ATOM 332 OE2 GLU A 25 8.609 -7.002 8.707 1.00 0.00 O ATOM 0 H GLU A 25 12.996 -5.873 5.077 1.00 0.00 H new ATOM 0 HA GLU A 25 10.489 -7.129 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.182 -6.061 7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.775 -4.507 6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.366 -4.772 8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.326 -4.972 7.351 1.00 0.00 H new ATOM 339 N VAL A 26 8.828 -5.699 4.751 1.00 0.00 N ATOM 340 CA VAL A 26 7.851 -4.914 4.004 1.00 0.00 C ATOM 341 C VAL A 26 6.659 -4.560 4.887 1.00 0.00 C ATOM 342 O VAL A 26 6.098 -5.421 5.564 1.00 0.00 O ATOM 343 CB VAL A 26 7.370 -5.703 2.785 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.664 -4.757 1.812 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.571 -6.346 2.088 1.00 0.00 C ATOM 0 H VAL A 26 8.462 -6.561 5.155 1.00 0.00 H new ATOM 0 HA VAL A 26 8.330 -3.992 3.674 1.00 0.00 H new ATOM 0 HB VAL A 26 6.676 -6.480 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.321 -5.318 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.809 -4.297 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.358 -3.980 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.229 -6.909 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.265 -5.569 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.076 -7.019 2.781 1.00 0.00 H new ATOM 355 N THR A 27 6.278 -3.287 4.874 1.00 0.00 N ATOM 356 CA THR A 27 5.156 -2.827 5.684 1.00 0.00 C ATOM 357 C THR A 27 4.256 -1.901 4.871 1.00 0.00 C ATOM 358 O THR A 27 4.735 -1.118 4.052 1.00 0.00 O ATOM 359 CB THR A 27 5.672 -2.088 6.919 1.00 0.00 C ATOM 360 OG1 THR A 27 7.006 -2.494 7.190 1.00 0.00 O ATOM 361 CG2 THR A 27 4.783 -2.414 8.121 1.00 0.00 C ATOM 0 H THR A 27 6.726 -2.560 4.316 1.00 0.00 H new ATOM 0 HA THR A 27 4.577 -3.695 5.998 1.00 0.00 H new ATOM 0 HB THR A 27 5.649 -1.014 6.735 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.338 -2.019 7.981 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.152 -1.886 9.000 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.760 -2.100 7.913 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.802 -3.488 8.307 1.00 0.00 H new ATOM 369 N LYS A 28 2.952 -1.996 5.103 1.00 0.00 N ATOM 370 CA LYS A 28 1.995 -1.161 4.387 1.00 0.00 C ATOM 371 C LYS A 28 1.867 0.203 5.057 1.00 0.00 C ATOM 372 O LYS A 28 1.768 0.298 6.280 1.00 0.00 O ATOM 373 CB LYS A 28 0.628 -1.845 4.351 1.00 0.00 C ATOM 374 CG LYS A 28 0.097 -2.001 5.777 1.00 0.00 C ATOM 375 CD LYS A 28 -1.164 -2.866 5.761 1.00 0.00 C ATOM 376 CE LYS A 28 -1.801 -2.867 7.152 1.00 0.00 C ATOM 377 NZ LYS A 28 -2.114 -1.467 7.556 1.00 0.00 N ATOM 0 H LYS A 28 2.535 -2.638 5.777 1.00 0.00 H new ATOM 0 HA LYS A 28 2.356 -1.020 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.069 -1.257 3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.711 -2.821 3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.856 -2.459 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.126 -1.022 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.871 -2.482 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.915 -3.884 5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.711 -3.467 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.123 -3.322 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.453 -1.164 8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.019 -0.839 6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.088 -1.420 7.918 1.00 0.00 H new ATOM 391 N GLY A 29 1.872 1.258 4.247 1.00 0.00 N ATOM 392 CA GLY A 29 1.753 2.612 4.772 1.00 0.00 C ATOM 393 C GLY A 29 0.309 2.930 5.140 1.00 0.00 C ATOM 394 O GLY A 29 0.008 3.257 6.289 1.00 0.00 O ATOM 0 H GLY A 29 1.957 1.201 3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.389 2.722 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.109 3.326 4.029 1.00 0.00 H new ATOM 398 N PHE A 30 -0.581 2.833 4.159 1.00 0.00 N ATOM 399 CA PHE A 30 -1.994 3.110 4.391 1.00 0.00 C ATOM 400 C PHE A 30 -2.713 1.858 4.884 1.00 0.00 C ATOM 401 O PHE A 30 -2.528 0.769 4.340 1.00 0.00 O ATOM 402 CB PHE A 30 -2.649 3.602 3.100 1.00 0.00 C ATOM 403 CG PHE A 30 -1.971 4.872 2.644 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.402 6.110 3.137 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.913 4.811 1.731 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.774 7.288 2.714 1.00 0.00 C ATOM 407 CE2 PHE A 30 -0.285 5.990 1.308 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.715 7.228 1.800 1.00 0.00 C ATOM 0 H PHE A 30 -0.352 2.567 3.201 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.072 3.884 5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.572 2.838 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.711 3.783 3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.218 6.156 3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.580 3.856 1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.107 8.243 3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.531 5.944 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.230 8.137 1.475 1.00 0.00 H new ATOM 418 N GLU A 31 -3.533 2.022 5.918 1.00 0.00 N ATOM 419 CA GLU A 31 -4.279 0.899 6.474 1.00 0.00 C ATOM 420 C GLU A 31 -5.534 0.628 5.649 1.00 0.00 C ATOM 421 O GLU A 31 -6.255 -0.337 5.900 1.00 0.00 O ATOM 422 CB GLU A 31 -4.673 1.201 7.921 1.00 0.00 C ATOM 423 CG GLU A 31 -5.530 2.468 7.965 1.00 0.00 C ATOM 424 CD GLU A 31 -6.963 2.140 7.560 1.00 0.00 C ATOM 425 OE1 GLU A 31 -7.344 0.988 7.682 1.00 0.00 O ATOM 426 OE2 GLU A 31 -7.658 3.048 7.134 1.00 0.00 O ATOM 0 H GLU A 31 -3.697 2.914 6.384 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.643 0.015 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.226 0.361 8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.780 1.332 8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.515 2.893 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.116 3.221 7.294 1.00 0.00 H new ATOM 433 N LYS A 32 -5.785 1.485 4.666 1.00 0.00 N ATOM 434 CA LYS A 32 -6.959 1.330 3.814 1.00 0.00 C ATOM 435 C LYS A 32 -6.566 0.739 2.463 1.00 0.00 C ATOM 436 O LYS A 32 -5.402 0.790 2.068 1.00 0.00 O ATOM 437 CB LYS A 32 -7.635 2.687 3.602 1.00 0.00 C ATOM 438 CG LYS A 32 -9.071 2.472 3.121 1.00 0.00 C ATOM 439 CD LYS A 32 -9.733 3.828 2.870 1.00 0.00 C ATOM 440 CE LYS A 32 -11.230 3.628 2.625 1.00 0.00 C ATOM 441 NZ LYS A 32 -11.897 4.956 2.519 1.00 0.00 N ATOM 0 H LYS A 32 -5.197 2.288 4.440 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.655 0.651 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.633 3.255 4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.079 3.272 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.075 1.879 2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.636 1.912 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.578 4.484 3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.275 4.315 2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.387 3.056 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.669 3.052 3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.915 4.821 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.758 5.486 3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.484 5.489 1.727 1.00 0.00 H new ATOM 455 N ASP A 33 -7.545 0.179 1.760 1.00 0.00 N ATOM 456 CA ASP A 33 -7.289 -0.412 0.451 1.00 0.00 C ATOM 457 C ASP A 33 -6.215 -1.490 0.553 1.00 0.00 C ATOM 458 O ASP A 33 -5.913 -1.979 1.642 1.00 0.00 O ATOM 459 CB ASP A 33 -6.840 0.670 -0.532 1.00 0.00 C ATOM 460 CG ASP A 33 -7.950 1.699 -0.719 1.00 0.00 C ATOM 461 OD1 ASP A 33 -9.081 1.389 -0.383 1.00 0.00 O ATOM 462 OD2 ASP A 33 -7.653 2.782 -1.197 1.00 0.00 O ATOM 0 H ASP A 33 -8.515 0.122 2.071 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.211 -0.867 0.091 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.939 1.158 -0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.586 0.219 -1.491 1.00 0.00 H new ATOM 467 N ASN A 34 -5.642 -1.856 -0.589 1.00 0.00 N ATOM 468 CA ASN A 34 -4.610 -2.886 -0.617 1.00 0.00 C ATOM 469 C ASN A 34 -3.269 -2.313 -0.170 1.00 0.00 C ATOM 470 O ASN A 34 -2.231 -2.594 -0.770 1.00 0.00 O ATOM 471 CB ASN A 34 -4.477 -3.455 -2.031 1.00 0.00 C ATOM 472 CG ASN A 34 -3.541 -4.657 -2.024 1.00 0.00 C ATOM 473 OD1 ASN A 34 -3.035 -5.073 -0.895 1.00 0.00 O flip ATOM 474 ND2 ASN A 34 -3.262 -5.235 -3.075 1.00 0.00 N flip ATOM 0 H ASN A 34 -5.872 -1.459 -1.500 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.900 -3.682 0.069 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.457 -3.749 -2.407 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.094 -2.689 -2.705 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.658 -4.909 -3.957 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.635 -6.040 -3.064 1.00 0.00 H new ATOM 481 N GLY A 35 -3.298 -1.509 0.888 1.00 0.00 N ATOM 482 CA GLY A 35 -2.077 -0.906 1.410 1.00 0.00 C ATOM 483 C GLY A 35 -1.582 0.206 0.491 1.00 0.00 C ATOM 484 O GLY A 35 -0.930 1.150 0.938 1.00 0.00 O ATOM 0 H GLY A 35 -4.146 -1.261 1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.262 -0.504 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.305 -1.669 1.513 1.00 0.00 H new ATOM 488 N LEU A 36 -1.895 0.086 -0.794 1.00 0.00 N ATOM 489 CA LEU A 36 -1.479 1.088 -1.768 1.00 0.00 C ATOM 490 C LEU A 36 0.043 1.174 -1.834 1.00 0.00 C ATOM 491 O LEU A 36 0.663 0.658 -2.763 1.00 0.00 O ATOM 492 CB LEU A 36 -2.053 2.454 -1.389 1.00 0.00 C ATOM 493 CG LEU A 36 -3.543 2.312 -1.070 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.109 3.671 -0.657 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.283 1.808 -2.311 1.00 0.00 C ATOM 0 H LEU A 36 -2.431 -0.689 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.857 0.794 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.522 2.856 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.911 3.160 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.674 1.601 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.170 3.569 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.582 4.031 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.979 4.382 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.345 1.706 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.152 2.519 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.880 0.839 -2.606 1.00 0.00 H new ATOM 507 N LEU A 37 0.637 1.830 -0.842 1.00 0.00 N ATOM 508 CA LEU A 37 2.088 1.983 -0.803 1.00 0.00 C ATOM 509 C LEU A 37 2.700 1.033 0.223 1.00 0.00 C ATOM 510 O LEU A 37 2.245 0.959 1.363 1.00 0.00 O ATOM 511 CB LEU A 37 2.452 3.425 -0.445 1.00 0.00 C ATOM 512 CG LEU A 37 3.972 3.594 -0.497 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.413 3.816 -1.944 1.00 0.00 C ATOM 514 CD2 LEU A 37 4.379 4.803 0.349 1.00 0.00 C ATOM 0 H LEU A 37 0.142 2.261 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 37 2.486 1.742 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.974 4.115 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.082 3.669 0.551 1.00 0.00 H new ATOM 0 HG LEU A 37 4.450 2.696 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.496 3.936 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.123 2.957 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.935 4.714 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.462 4.925 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.900 5.700 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.066 4.647 1.381 1.00 0.00 H new ATOM 526 N PHE A 38 3.735 0.310 -0.193 1.00 0.00 N ATOM 527 CA PHE A 38 4.411 -0.621 0.702 1.00 0.00 C ATOM 528 C PHE A 38 5.798 -0.099 1.066 1.00 0.00 C ATOM 529 O PHE A 38 6.586 0.260 0.192 1.00 0.00 O ATOM 530 CB PHE A 38 4.540 -1.990 0.031 1.00 0.00 C ATOM 531 CG PHE A 38 3.163 -2.550 -0.235 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.449 -3.173 0.796 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.600 -2.446 -1.513 1.00 0.00 C ATOM 534 CE1 PHE A 38 1.173 -3.693 0.548 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.324 -2.966 -1.760 1.00 0.00 C ATOM 536 CZ PHE A 38 0.610 -3.589 -0.729 1.00 0.00 C ATOM 0 H PHE A 38 4.121 0.350 -1.136 1.00 0.00 H new ATOM 0 HA PHE A 38 3.819 -0.717 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.094 -1.899 -0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.104 -2.669 0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.882 -3.252 1.782 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.150 -1.965 -2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.623 -4.175 1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.890 -2.887 -2.746 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.375 -3.989 -0.919 1.00 0.00 H new ATOM 546 N ARG A 39 6.088 -0.061 2.362 1.00 0.00 N ATOM 547 CA ARG A 39 7.384 0.416 2.830 1.00 0.00 C ATOM 548 C ARG A 39 8.425 -0.697 2.755 1.00 0.00 C ATOM 549 O ARG A 39 8.357 -1.675 3.500 1.00 0.00 O ATOM 550 CB ARG A 39 7.270 0.912 4.273 1.00 0.00 C ATOM 551 CG ARG A 39 8.586 1.569 4.692 1.00 0.00 C ATOM 552 CD ARG A 39 8.456 2.110 6.117 1.00 0.00 C ATOM 553 NE ARG A 39 7.317 3.015 6.210 1.00 0.00 N ATOM 554 CZ ARG A 39 6.790 3.339 7.387 1.00 0.00 C ATOM 555 NH1 ARG A 39 7.294 2.844 8.484 1.00 0.00 N ATOM 556 NH2 ARG A 39 5.771 4.151 7.445 1.00 0.00 N ATOM 0 H ARG A 39 5.449 -0.352 3.102 1.00 0.00 H new ATOM 0 HA ARG A 39 7.699 1.238 2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.451 1.626 4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.039 0.080 4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.399 0.845 4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.835 2.378 4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.332 1.284 6.817 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.369 2.633 6.400 1.00 0.00 H new ATOM 0 HE ARG A 39 6.917 3.407 5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.091 2.209 8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.891 3.092 9.388 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.378 4.538 6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.367 4.399 8.348 1.00 0.00 H new ATOM 570 N ILE A 40 9.387 -0.540 1.852 1.00 0.00 N ATOM 571 CA ILE A 40 10.434 -1.541 1.682 1.00 0.00 C ATOM 572 C ILE A 40 11.686 -1.141 2.455 1.00 0.00 C ATOM 573 O ILE A 40 12.186 -0.027 2.309 1.00 0.00 O ATOM 574 CB ILE A 40 10.774 -1.694 0.199 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.493 -1.978 -0.590 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.751 -2.857 0.016 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.804 -1.969 -2.088 1.00 0.00 C ATOM 0 H ILE A 40 9.464 0.265 1.230 1.00 0.00 H new ATOM 0 HA ILE A 40 10.069 -2.492 2.070 1.00 0.00 H new ATOM 0 HB ILE A 40 11.231 -0.774 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.081 -2.944 -0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.737 -1.227 -0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.993 -2.966 -1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.663 -2.658 0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.294 -3.777 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.892 -2.171 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.197 -0.993 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.545 -2.737 -2.310 1.00 0.00 H new ATOM 589 N VAL A 41 12.188 -2.058 3.276 1.00 0.00 N ATOM 590 CA VAL A 41 13.377 -1.786 4.074 1.00 0.00 C ATOM 591 C VAL A 41 14.370 -2.939 3.968 1.00 0.00 C ATOM 592 O VAL A 41 14.010 -4.100 4.157 1.00 0.00 O ATOM 593 CB VAL A 41 12.988 -1.577 5.538 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.223 -1.177 6.345 1.00 0.00 C ATOM 595 CG2 VAL A 41 11.937 -0.469 5.632 1.00 0.00 C ATOM 0 H VAL A 41 11.793 -2.989 3.405 1.00 0.00 H new ATOM 0 HA VAL A 41 13.848 -0.880 3.691 1.00 0.00 H new ATOM 0 HB VAL A 41 12.578 -2.504 5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.944 -1.028 7.388 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.972 -1.966 6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.635 -0.251 5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.659 -0.319 6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.347 0.457 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.055 -0.755 5.059 1.00 0.00 H new ATOM 605 N ASN A 42 15.621 -2.610 3.664 1.00 0.00 N ATOM 606 CA ASN A 42 16.662 -3.625 3.547 1.00 0.00 C ATOM 607 C ASN A 42 17.635 -3.531 4.718 1.00 0.00 C ATOM 608 O ASN A 42 18.509 -2.664 4.744 1.00 0.00 O ATOM 609 CB ASN A 42 17.423 -3.443 2.232 1.00 0.00 C ATOM 610 CG ASN A 42 18.057 -4.765 1.810 1.00 0.00 C ATOM 611 OD1 ASN A 42 19.205 -4.789 1.365 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.374 -5.870 1.925 1.00 0.00 N ATOM 0 H ASN A 42 15.938 -1.655 3.495 1.00 0.00 H new ATOM 0 HA ASN A 42 16.190 -4.607 3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.744 -3.091 1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.194 -2.682 2.351 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.790 -6.758 1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.423 -5.846 2.294 1.00 0.00 H new ATOM 619 N LYS A 43 17.475 -4.427 5.687 1.00 0.00 N ATOM 620 CA LYS A 43 18.334 -4.425 6.865 1.00 0.00 C ATOM 621 C LYS A 43 19.803 -4.503 6.462 1.00 0.00 C ATOM 622 O LYS A 43 20.675 -3.966 7.147 1.00 0.00 O ATOM 623 CB LYS A 43 17.989 -5.613 7.765 1.00 0.00 C ATOM 624 CG LYS A 43 16.575 -5.436 8.322 1.00 0.00 C ATOM 625 CD LYS A 43 16.325 -6.475 9.417 1.00 0.00 C ATOM 626 CE LYS A 43 16.365 -7.878 8.809 1.00 0.00 C ATOM 627 NZ LYS A 43 15.666 -8.832 9.714 1.00 0.00 N ATOM 0 H LYS A 43 16.764 -5.158 5.680 1.00 0.00 H new ATOM 0 HA LYS A 43 18.167 -3.495 7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 43 18.055 -6.543 7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.707 -5.685 8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.455 -4.431 8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.841 -5.549 7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 43 17.080 -6.384 10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.357 -6.298 9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.888 -7.875 7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.398 -8.192 8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.693 -9.786 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.139 -8.842 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.677 -8.535 9.834 1.00 0.00 H new ATOM 641 N LYS A 44 20.073 -5.175 5.348 1.00 0.00 N ATOM 642 CA LYS A 44 21.441 -5.322 4.868 1.00 0.00 C ATOM 643 C LYS A 44 22.091 -3.956 4.668 1.00 0.00 C ATOM 644 O LYS A 44 23.049 -3.607 5.357 1.00 0.00 O ATOM 645 CB LYS A 44 21.452 -6.092 3.545 1.00 0.00 C ATOM 646 CG LYS A 44 20.896 -7.500 3.771 1.00 0.00 C ATOM 647 CD LYS A 44 21.175 -8.364 2.540 1.00 0.00 C ATOM 648 CE LYS A 44 20.410 -7.803 1.338 1.00 0.00 C ATOM 649 NZ LYS A 44 20.324 -8.843 0.275 1.00 0.00 N ATOM 0 H LYS A 44 19.367 -5.624 4.764 1.00 0.00 H new ATOM 0 HA LYS A 44 22.009 -5.876 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.852 -5.567 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 44 22.468 -6.149 3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 44 21.355 -7.946 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 44 19.823 -7.453 3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 44 22.244 -8.380 2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 44 20.872 -9.394 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.410 -7.495 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 44 20.914 -6.916 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.805 -8.463 -0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 21.283 -9.117 -0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.825 -9.677 0.645 1.00 0.00 H new ATOM 663 N LYS A 45 21.563 -3.189 3.721 1.00 0.00 N ATOM 664 CA LYS A 45 22.103 -1.864 3.435 1.00 0.00 C ATOM 665 C LYS A 45 21.378 -0.801 4.255 1.00 0.00 C ATOM 666 O LYS A 45 21.755 0.371 4.243 1.00 0.00 O ATOM 667 CB LYS A 45 21.956 -1.552 1.945 1.00 0.00 C ATOM 668 CG LYS A 45 22.558 -2.694 1.123 1.00 0.00 C ATOM 669 CD LYS A 45 24.066 -2.764 1.373 1.00 0.00 C ATOM 670 CE LYS A 45 24.734 -3.553 0.246 1.00 0.00 C ATOM 671 NZ LYS A 45 24.524 -2.846 -1.049 1.00 0.00 N ATOM 0 H LYS A 45 20.768 -3.458 3.142 1.00 0.00 H new ATOM 0 HA LYS A 45 23.159 -1.856 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 45 20.904 -1.423 1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.459 -0.614 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.089 -3.639 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.362 -2.536 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 45 24.484 -1.759 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 45 24.264 -3.241 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 45 25.800 -3.660 0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 45 24.317 -4.559 0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 25.429 -2.777 -1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.841 -3.376 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.155 -1.891 -0.867 1.00 0.00 H new ATOM 685 N LYS A 46 20.338 -1.219 4.969 1.00 0.00 N ATOM 686 CA LYS A 46 19.564 -0.293 5.789 1.00 0.00 C ATOM 687 C LYS A 46 19.071 0.885 4.956 1.00 0.00 C ATOM 688 O LYS A 46 19.066 2.025 5.418 1.00 0.00 O ATOM 689 CB LYS A 46 20.424 0.222 6.946 1.00 0.00 C ATOM 690 CG LYS A 46 20.167 -0.627 8.192 1.00 0.00 C ATOM 691 CD LYS A 46 18.908 -0.124 8.902 1.00 0.00 C ATOM 692 CE LYS A 46 18.189 -1.302 9.563 1.00 0.00 C ATOM 693 NZ LYS A 46 19.195 -2.289 10.049 1.00 0.00 N ATOM 0 H LYS A 46 20.013 -2.185 4.997 1.00 0.00 H new ATOM 0 HA LYS A 46 18.700 -0.826 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.479 0.179 6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.189 1.267 7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.046 -1.674 7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.023 -0.573 8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.174 0.621 9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.246 0.365 8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.579 -0.949 10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.514 -1.776 8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.763 -2.897 10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.519 -2.875 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.006 -1.784 10.460 1.00 0.00 H new ATOM 707 N GLN A 47 18.659 0.602 3.725 1.00 0.00 N ATOM 708 CA GLN A 47 18.160 1.650 2.840 1.00 0.00 C ATOM 709 C GLN A 47 16.653 1.516 2.650 1.00 0.00 C ATOM 710 O GLN A 47 16.155 0.451 2.288 1.00 0.00 O ATOM 711 CB GLN A 47 18.857 1.565 1.481 1.00 0.00 C ATOM 712 CG GLN A 47 18.613 0.186 0.866 1.00 0.00 C ATOM 713 CD GLN A 47 19.602 -0.060 -0.268 1.00 0.00 C ATOM 714 OE1 GLN A 47 20.307 0.934 -0.734 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 19.736 -1.188 -0.744 1.00 0.00 N flip ATOM 0 H GLN A 47 18.660 -0.334 3.320 1.00 0.00 H new ATOM 0 HA GLN A 47 18.374 2.616 3.296 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.479 2.343 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.927 1.738 1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.721 -0.586 1.628 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.592 0.122 0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 47 19.184 -1.964 -0.379 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.399 -1.346 -1.503 1.00 0.00 H new ATOM 724 N TRP A 48 15.931 2.605 2.900 1.00 0.00 N ATOM 725 CA TRP A 48 14.481 2.597 2.752 1.00 0.00 C ATOM 726 C TRP A 48 14.087 2.860 1.302 1.00 0.00 C ATOM 727 O TRP A 48 14.778 3.582 0.581 1.00 0.00 O ATOM 728 CB TRP A 48 13.858 3.665 3.653 1.00 0.00 C ATOM 729 CG TRP A 48 13.958 3.236 5.082 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.772 2.259 5.546 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.235 3.748 6.238 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.595 2.141 6.913 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.657 3.037 7.386 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.262 4.752 6.401 1.00 0.00 C ATOM 735 CZ2 TRP A 48 13.134 3.312 8.651 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.734 5.031 7.672 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.169 4.312 8.794 1.00 0.00 C ATOM 0 H TRP A 48 16.323 3.496 3.203 1.00 0.00 H new ATOM 0 HA TRP A 48 14.111 1.614 3.044 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.369 4.617 3.512 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.814 3.820 3.382 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.449 1.668 4.947 1.00 0.00 H new ATOM 0 HE1 TRP A 48 15.096 1.474 7.500 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.919 5.311 5.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.473 2.756 9.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 10.988 5.804 7.786 1.00 0.00 H new ATOM 0 HH2 TRP A 48 11.758 4.531 9.769 1.00 0.00 H new ATOM 748 N ALA A 49 12.972 2.272 0.882 1.00 0.00 N ATOM 749 CA ALA A 49 12.490 2.453 -0.484 1.00 0.00 C ATOM 750 C ALA A 49 10.966 2.394 -0.522 1.00 0.00 C ATOM 751 O ALA A 49 10.341 1.718 0.294 1.00 0.00 O ATOM 752 CB ALA A 49 13.067 1.364 -1.390 1.00 0.00 C ATOM 0 H ALA A 49 12.388 1.670 1.462 1.00 0.00 H new ATOM 0 HA ALA A 49 12.816 3.430 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.702 1.506 -2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.155 1.424 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.755 0.385 -1.026 1.00 0.00 H new ATOM 758 N TYR A 50 10.373 3.110 -1.474 1.00 0.00 N ATOM 759 CA TYR A 50 8.921 3.129 -1.604 1.00 0.00 C ATOM 760 C TYR A 50 8.503 2.799 -3.032 1.00 0.00 C ATOM 761 O TYR A 50 9.134 3.241 -3.993 1.00 0.00 O ATOM 762 CB TYR A 50 8.380 4.506 -1.217 1.00 0.00 C ATOM 763 CG TYR A 50 8.459 4.673 0.281 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.579 3.967 1.111 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.413 5.532 0.841 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.653 4.121 2.501 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.487 5.685 2.230 1.00 0.00 C ATOM 768 CZ TYR A 50 8.607 4.980 3.061 1.00 0.00 C ATOM 769 OH TYR A 50 8.680 5.131 4.429 1.00 0.00 O ATOM 0 H TYR A 50 10.870 3.679 -2.159 1.00 0.00 H new ATOM 0 HA TYR A 50 8.507 2.374 -0.935 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.956 5.288 -1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.348 4.611 -1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.844 3.304 0.679 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.092 6.076 0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.974 3.577 3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.223 6.347 2.662 1.00 0.00 H new ATOM 0 HH TYR A 50 9.396 5.762 4.651 1.00 0.00 H new ATOM 779 N TYR A 51 7.434 2.020 -3.165 1.00 0.00 N ATOM 780 CA TYR A 51 6.934 1.639 -4.480 1.00 0.00 C ATOM 781 C TYR A 51 5.453 1.982 -4.607 1.00 0.00 C ATOM 782 O TYR A 51 4.633 1.543 -3.800 1.00 0.00 O ATOM 783 CB TYR A 51 7.134 0.139 -4.700 1.00 0.00 C ATOM 784 CG TYR A 51 6.239 -0.332 -5.820 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.614 -0.118 -7.153 1.00 0.00 C ATOM 786 CD2 TYR A 51 5.034 -0.981 -5.527 1.00 0.00 C ATOM 787 CE1 TYR A 51 5.784 -0.555 -8.192 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.203 -1.418 -6.568 1.00 0.00 C ATOM 789 CZ TYR A 51 4.578 -1.204 -7.900 1.00 0.00 C ATOM 790 OH TYR A 51 3.760 -1.634 -8.923 1.00 0.00 O ATOM 0 H TYR A 51 6.900 1.642 -2.382 1.00 0.00 H new ATOM 0 HA TYR A 51 7.491 2.193 -5.236 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.176 -0.067 -4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.906 -0.407 -3.784 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.543 0.384 -7.379 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.745 -1.145 -4.500 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.074 -0.392 -9.219 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.274 -1.920 -6.343 1.00 0.00 H new ATOM 0 HH TYR A 51 2.964 -2.065 -8.547 1.00 0.00 H new ATOM 800 N ASN A 52 5.116 2.769 -5.624 1.00 0.00 N ATOM 801 CA ASN A 52 3.731 3.168 -5.841 1.00 0.00 C ATOM 802 C ASN A 52 2.997 2.130 -6.683 1.00 0.00 C ATOM 803 O ASN A 52 3.312 1.932 -7.856 1.00 0.00 O ATOM 804 CB ASN A 52 3.682 4.525 -6.546 1.00 0.00 C ATOM 805 CG ASN A 52 2.234 4.924 -6.808 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.317 4.140 -6.558 1.00 0.00 O ATOM 807 ND2 ASN A 52 1.970 6.104 -7.300 1.00 0.00 N ATOM 0 H ASN A 52 5.778 3.140 -6.306 1.00 0.00 H new ATOM 0 HA ASN A 52 3.240 3.244 -4.871 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.171 5.281 -5.932 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.230 4.475 -7.487 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.004 6.378 -7.478 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.730 6.752 -7.507 1.00 0.00 H new ATOM 814 N ASP A 53 2.014 1.473 -6.076 1.00 0.00 N ATOM 815 CA ASP A 53 1.237 0.458 -6.780 1.00 0.00 C ATOM 816 C ASP A 53 0.071 1.100 -7.523 1.00 0.00 C ATOM 817 O ASP A 53 -0.292 0.671 -8.618 1.00 0.00 O ATOM 818 CB ASP A 53 0.705 -0.575 -5.785 1.00 0.00 C ATOM 819 CG ASP A 53 0.099 -1.757 -6.536 1.00 0.00 C ATOM 820 OD1 ASP A 53 0.858 -2.586 -7.007 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.116 -1.812 -6.628 1.00 0.00 O ATOM 0 H ASP A 53 1.738 1.623 -5.106 1.00 0.00 H new ATOM 0 HA ASP A 53 1.887 -0.036 -7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.512 -0.919 -5.139 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.047 -0.119 -5.141 1.00 0.00 H new ATOM 826 N THR A 54 -0.513 2.131 -6.919 1.00 0.00 N ATOM 827 CA THR A 54 -1.636 2.829 -7.535 1.00 0.00 C ATOM 828 C THR A 54 -1.213 3.463 -8.856 1.00 0.00 C ATOM 829 O THR A 54 -0.169 4.111 -8.938 1.00 0.00 O ATOM 830 CB THR A 54 -2.158 3.913 -6.590 1.00 0.00 C ATOM 831 OG1 THR A 54 -1.063 4.659 -6.077 1.00 0.00 O ATOM 832 CG2 THR A 54 -2.921 3.262 -5.436 1.00 0.00 C ATOM 0 H THR A 54 -0.230 2.499 -6.011 1.00 0.00 H new ATOM 0 HA THR A 54 -2.427 2.105 -7.730 1.00 0.00 H new ATOM 0 HB THR A 54 -2.828 4.579 -7.134 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.257 4.456 -6.596 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.292 4.035 -4.763 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.761 2.691 -5.831 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.254 2.595 -4.889 1.00 0.00 H new ATOM 840 N THR A 55 -2.028 3.273 -9.887 1.00 0.00 N ATOM 841 CA THR A 55 -1.729 3.834 -11.200 1.00 0.00 C ATOM 842 C THR A 55 -2.593 5.064 -11.467 1.00 0.00 C ATOM 843 O THR A 55 -2.602 5.597 -12.577 1.00 0.00 O ATOM 844 CB THR A 55 -1.980 2.786 -12.285 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.298 2.272 -12.149 1.00 0.00 O ATOM 846 CG2 THR A 55 -0.969 1.647 -12.140 1.00 0.00 C ATOM 0 H THR A 55 -2.896 2.739 -9.841 1.00 0.00 H new ATOM 0 HA THR A 55 -0.680 4.130 -11.218 1.00 0.00 H new ATOM 0 HB THR A 55 -1.868 3.245 -13.267 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.461 1.601 -12.845 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.149 0.900 -12.914 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.042 2.042 -12.244 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.079 1.186 -11.158 1.00 0.00 H new ATOM 854 N GLN A 56 -3.317 5.506 -10.445 1.00 0.00 N ATOM 855 CA GLN A 56 -4.181 6.674 -10.582 1.00 0.00 C ATOM 856 C GLN A 56 -3.638 7.841 -9.764 1.00 0.00 C ATOM 857 O GLN A 56 -3.635 8.984 -10.221 1.00 0.00 O ATOM 858 CB GLN A 56 -5.597 6.335 -10.112 1.00 0.00 C ATOM 859 CG GLN A 56 -6.481 7.578 -10.222 1.00 0.00 C ATOM 860 CD GLN A 56 -7.931 7.214 -9.919 1.00 0.00 C ATOM 861 OE1 GLN A 56 -8.257 6.036 -9.770 1.00 0.00 O ATOM 862 NE2 GLN A 56 -8.824 8.159 -9.817 1.00 0.00 N ATOM 0 H GLN A 56 -3.324 5.078 -9.519 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.206 6.962 -11.633 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.009 5.528 -10.717 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.575 5.981 -9.081 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.136 8.343 -9.526 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.405 8.001 -11.224 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.551 9.134 -9.941 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.795 7.923 -9.613 1.00 0.00 H new ATOM 871 N TYR A 57 -3.182 7.547 -8.551 1.00 0.00 N ATOM 872 CA TYR A 57 -2.651 8.584 -7.674 1.00 0.00 C ATOM 873 C TYR A 57 -1.165 8.358 -7.413 1.00 0.00 C ATOM 874 O TYR A 57 -0.691 7.222 -7.406 1.00 0.00 O ATOM 875 CB TYR A 57 -3.409 8.582 -6.345 1.00 0.00 C ATOM 876 CG TYR A 57 -4.823 8.102 -6.572 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.828 9.019 -6.904 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.129 6.741 -6.450 1.00 0.00 C ATOM 879 CE1 TYR A 57 -7.139 8.574 -7.114 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.439 6.297 -6.660 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.444 7.213 -6.992 1.00 0.00 C ATOM 882 OH TYR A 57 -8.737 6.774 -7.200 1.00 0.00 O ATOM 0 H TYR A 57 -3.169 6.607 -8.155 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.779 9.549 -8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.905 7.935 -5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.418 9.585 -5.918 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.592 10.069 -6.998 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.354 6.034 -6.194 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.915 9.281 -7.370 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.675 5.247 -6.566 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.719 5.920 -7.680 1.00 0.00 H new ATOM 892 N GLU A 58 -0.436 9.449 -7.198 1.00 0.00 N ATOM 893 CA GLU A 58 0.991 9.357 -6.907 1.00 0.00 C ATOM 894 C GLU A 58 1.225 9.293 -5.401 1.00 0.00 C ATOM 895 O GLU A 58 0.463 9.863 -4.620 1.00 0.00 O ATOM 896 CB GLU A 58 1.722 10.569 -7.488 1.00 0.00 C ATOM 897 CG GLU A 58 0.751 11.746 -7.599 1.00 0.00 C ATOM 898 CD GLU A 58 1.501 13.003 -8.025 1.00 0.00 C ATOM 899 OE1 GLU A 58 2.706 12.920 -8.194 1.00 0.00 O ATOM 900 OE2 GLU A 58 0.860 14.030 -8.175 1.00 0.00 O ATOM 0 H GLU A 58 -0.806 10.399 -7.219 1.00 0.00 H new ATOM 0 HA GLU A 58 1.379 8.447 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.565 10.838 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.129 10.326 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.031 11.516 -8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.259 11.913 -6.641 1.00 0.00 H new ATOM 907 N MET A 59 2.281 8.594 -5.001 1.00 0.00 N ATOM 908 CA MET A 59 2.595 8.449 -3.583 1.00 0.00 C ATOM 909 C MET A 59 3.613 9.497 -3.146 1.00 0.00 C ATOM 910 O MET A 59 4.720 9.563 -3.682 1.00 0.00 O ATOM 911 CB MET A 59 3.153 7.050 -3.315 1.00 0.00 C ATOM 912 CG MET A 59 1.997 6.065 -3.132 1.00 0.00 C ATOM 913 SD MET A 59 0.720 6.398 -4.370 1.00 0.00 S ATOM 914 CE MET A 59 -0.672 5.691 -3.455 1.00 0.00 C ATOM 0 H MET A 59 2.930 8.122 -5.631 1.00 0.00 H new ATOM 0 HA MET A 59 1.678 8.593 -3.011 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.786 6.734 -4.145 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.779 7.062 -2.423 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.358 5.041 -3.232 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.580 6.159 -2.129 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.606 5.960 -3.948 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.576 4.606 -3.428 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.674 6.081 -2.437 1.00 0.00 H new ATOM 924 N HIS A 60 3.232 10.312 -2.168 1.00 0.00 N ATOM 925 CA HIS A 60 4.130 11.334 -1.644 1.00 0.00 C ATOM 926 C HIS A 60 4.561 10.984 -0.223 1.00 0.00 C ATOM 927 O HIS A 60 3.732 10.889 0.682 1.00 0.00 O ATOM 928 CB HIS A 60 3.434 12.697 -1.647 1.00 0.00 C ATOM 929 CG HIS A 60 3.081 13.076 -3.059 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.729 14.098 -3.735 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.151 12.577 -3.937 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.184 14.182 -4.962 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.218 13.277 -5.138 1.00 0.00 N ATOM 0 H HIS A 60 2.314 10.285 -1.725 1.00 0.00 H new ATOM 0 HA HIS A 60 5.012 11.379 -2.282 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.534 12.659 -1.033 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.087 13.452 -1.209 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.482 14.680 -3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.471 11.765 -3.728 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.490 14.895 -5.713 1.00 0.00 H new ATOM 942 N VAL A 61 5.862 10.788 -0.034 1.00 0.00 N ATOM 943 CA VAL A 61 6.384 10.412 1.275 1.00 0.00 C ATOM 944 C VAL A 61 6.999 11.617 1.979 1.00 0.00 C ATOM 945 O VAL A 61 7.774 12.367 1.386 1.00 0.00 O ATOM 946 CB VAL A 61 7.439 9.315 1.119 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.114 9.059 2.468 1.00 0.00 C ATOM 948 CG2 VAL A 61 6.768 8.028 0.634 1.00 0.00 C ATOM 0 H VAL A 61 6.569 10.882 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 61 5.557 10.040 1.880 1.00 0.00 H new ATOM 0 HB VAL A 61 8.187 9.632 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 61 8.865 8.277 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.592 9.975 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.366 8.742 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.519 7.246 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.020 7.712 1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.287 8.209 -0.327 1.00 0.00 H new ATOM 958 N LEU A 62 6.651 11.792 3.249 1.00 0.00 N ATOM 959 CA LEU A 62 7.193 12.893 4.038 1.00 0.00 C ATOM 960 C LEU A 62 7.442 12.444 5.474 1.00 0.00 C ATOM 961 O LEU A 62 6.556 12.531 6.324 1.00 0.00 O ATOM 962 CB LEU A 62 6.218 14.072 4.032 1.00 0.00 C ATOM 963 CG LEU A 62 6.828 15.243 4.804 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.920 15.899 3.957 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.737 16.271 5.114 1.00 0.00 C ATOM 0 H LEU A 62 6.000 11.190 3.752 1.00 0.00 H new ATOM 0 HA LEU A 62 8.139 13.204 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.000 14.372 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.272 13.777 4.486 1.00 0.00 H new ATOM 0 HG LEU A 62 7.261 14.879 5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.355 16.734 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.697 15.167 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.488 16.264 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.170 17.106 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.305 16.635 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.958 15.804 5.717 1.00 0.00 H new ATOM 977 N VAL A 63 8.650 11.958 5.736 1.00 0.00 N ATOM 978 CA VAL A 63 8.996 11.474 7.067 1.00 0.00 C ATOM 979 C VAL A 63 10.002 12.404 7.738 1.00 0.00 C ATOM 980 O VAL A 63 11.004 12.789 7.136 1.00 0.00 O ATOM 981 CB VAL A 63 9.587 10.067 6.972 1.00 0.00 C ATOM 982 CG1 VAL A 63 9.878 9.536 8.376 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.587 9.141 6.276 1.00 0.00 C ATOM 0 H VAL A 63 9.401 11.889 5.050 1.00 0.00 H new ATOM 0 HA VAL A 63 8.087 11.450 7.668 1.00 0.00 H new ATOM 0 HB VAL A 63 10.514 10.102 6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.299 8.533 8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.590 10.194 8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.953 9.501 8.951 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.007 8.138 6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.661 9.108 6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.380 9.517 5.274 1.00 0.00 H new ATOM 993 N THR A 64 9.727 12.758 8.990 1.00 0.00 N ATOM 994 CA THR A 64 10.623 13.628 9.743 1.00 0.00 C ATOM 995 C THR A 64 11.317 12.845 10.852 1.00 0.00 C ATOM 996 O THR A 64 10.676 12.106 11.598 1.00 0.00 O ATOM 997 CB THR A 64 9.834 14.790 10.352 1.00 0.00 C ATOM 998 OG1 THR A 64 9.245 15.558 9.311 1.00 0.00 O ATOM 999 CG2 THR A 64 10.776 15.675 11.170 1.00 0.00 C ATOM 0 H THR A 64 8.897 12.458 9.501 1.00 0.00 H new ATOM 0 HA THR A 64 11.378 14.021 9.062 1.00 0.00 H new ATOM 0 HB THR A 64 9.052 14.397 11.002 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.738 16.301 9.700 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.214 16.502 11.603 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.227 15.086 11.968 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.559 16.069 10.522 1.00 0.00 H new ATOM 1007 N PHE A 65 12.633 13.008 10.952 1.00 0.00 N ATOM 1008 CA PHE A 65 13.402 12.304 11.972 1.00 0.00 C ATOM 1009 C PHE A 65 14.023 13.291 12.956 1.00 0.00 C ATOM 1010 O PHE A 65 14.171 14.475 12.654 1.00 0.00 O ATOM 1011 CB PHE A 65 14.504 11.475 11.311 1.00 0.00 C ATOM 1012 CG PHE A 65 14.026 10.985 9.965 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.110 11.821 8.846 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.496 9.696 9.838 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.665 11.367 7.599 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.050 9.242 8.591 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.135 10.078 7.471 1.00 0.00 C ATOM 0 H PHE A 65 13.184 13.615 10.346 1.00 0.00 H new ATOM 0 HA PHE A 65 12.728 11.644 12.518 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.405 12.077 11.192 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.768 10.629 11.945 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.518 12.816 8.944 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.431 9.051 10.702 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.731 12.012 6.735 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.641 8.247 8.493 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.792 9.728 6.509 1.00 0.00 H new ATOM 1027 N ASN A 66 14.383 12.792 14.135 1.00 0.00 N ATOM 1028 CA ASN A 66 14.995 13.634 15.156 1.00 0.00 C ATOM 1029 C ASN A 66 16.473 13.858 14.851 1.00 0.00 C ATOM 1030 O ASN A 66 17.097 13.068 14.143 1.00 0.00 O ATOM 1031 CB ASN A 66 14.852 12.976 16.530 1.00 0.00 C ATOM 1032 CG ASN A 66 15.144 13.993 17.628 1.00 0.00 C ATOM 1033 OD1 ASN A 66 16.232 13.875 18.341 1.00 0.00 O flip ATOM 1034 ND2 ASN A 66 14.362 14.919 17.843 1.00 0.00 N flip ATOM 0 H ASN A 66 14.262 11.816 14.405 1.00 0.00 H new ATOM 0 HA ASN A 66 14.485 14.597 15.158 1.00 0.00 H new ATOM 0 HB2 ASN A 66 13.844 12.579 16.649 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.538 12.133 16.612 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.513 15.009 17.285 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.563 15.596 18.579 1.00 0.00 H new ATOM 1041 N GLU A 67 17.025 14.941 15.391 1.00 0.00 N ATOM 1042 CA GLU A 67 18.431 15.258 15.170 1.00 0.00 C ATOM 1043 C GLU A 67 19.305 14.039 15.445 1.00 0.00 C ATOM 1044 O GLU A 67 20.136 13.660 14.621 1.00 0.00 O ATOM 1045 CB GLU A 67 18.855 16.409 16.084 1.00 0.00 C ATOM 1046 CG GLU A 67 20.381 16.532 16.077 1.00 0.00 C ATOM 1047 CD GLU A 67 20.797 17.896 16.615 1.00 0.00 C ATOM 1048 OE1 GLU A 67 19.928 18.617 17.079 1.00 0.00 O ATOM 1049 OE2 GLU A 67 21.976 18.200 16.557 1.00 0.00 O ATOM 0 H GLU A 67 16.525 15.608 15.979 1.00 0.00 H new ATOM 0 HA GLU A 67 18.559 15.554 14.129 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.403 17.341 15.746 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.499 16.232 17.099 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.820 15.742 16.686 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.760 16.401 15.063 1.00 0.00 H new ATOM 1056 N ASP A 68 19.108 13.429 16.609 1.00 0.00 N ATOM 1057 CA ASP A 68 19.886 12.255 16.986 1.00 0.00 C ATOM 1058 C ASP A 68 19.439 11.036 16.185 1.00 0.00 C ATOM 1059 O ASP A 68 18.798 10.131 16.719 1.00 0.00 O ATOM 1060 CB ASP A 68 19.717 11.974 18.481 1.00 0.00 C ATOM 1061 CG ASP A 68 18.246 11.734 18.805 1.00 0.00 C ATOM 1062 OD1 ASP A 68 17.458 11.673 17.876 1.00 0.00 O ATOM 1063 OD2 ASP A 68 17.930 11.615 19.976 1.00 0.00 O ATOM 0 H ASP A 68 18.422 13.725 17.303 1.00 0.00 H new ATOM 0 HA ASP A 68 20.936 12.454 16.770 1.00 0.00 H new ATOM 0 HB2 ASP A 68 20.307 11.102 18.764 1.00 0.00 H new ATOM 0 HB3 ASP A 68 20.093 12.816 19.062 1.00 0.00 H new ATOM 1068 N CYS A 69 19.782 11.020 14.901 1.00 0.00 N ATOM 1069 CA CYS A 69 19.423 9.900 14.038 1.00 0.00 C ATOM 1070 C CYS A 69 20.408 9.777 12.880 1.00 0.00 C ATOM 1071 O CYS A 69 20.490 10.659 12.026 1.00 0.00 O ATOM 1072 CB CYS A 69 18.008 10.096 13.490 1.00 0.00 C ATOM 1073 SG CYS A 69 16.881 10.478 14.853 1.00 0.00 S ATOM 0 H CYS A 69 20.304 11.764 14.438 1.00 0.00 H new ATOM 0 HA CYS A 69 19.460 8.985 14.628 1.00 0.00 H new ATOM 0 HB2 CYS A 69 17.998 10.904 12.759 1.00 0.00 H new ATOM 0 HB3 CYS A 69 17.679 9.195 12.973 1.00 0.00 H new ATOM 0 HG CYS A 69 17.456 10.194 15.984 1.00 0.00 H new ATOM 1079 N ASP A 70 21.152 8.676 12.857 1.00 0.00 N ATOM 1080 CA ASP A 70 22.135 8.452 11.804 1.00 0.00 C ATOM 1081 C ASP A 70 21.443 8.056 10.504 1.00 0.00 C ATOM 1082 O ASP A 70 21.341 6.873 10.178 1.00 0.00 O ATOM 1083 CB ASP A 70 23.109 7.349 12.223 1.00 0.00 C ATOM 1084 CG ASP A 70 24.326 7.351 11.303 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.424 8.250 10.484 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.141 6.453 11.431 1.00 0.00 O ATOM 0 H ASP A 70 21.094 7.930 13.550 1.00 0.00 H new ATOM 0 HA ASP A 70 22.686 9.379 11.643 1.00 0.00 H new ATOM 0 HB2 ASP A 70 23.423 7.503 13.255 1.00 0.00 H new ATOM 0 HB3 ASP A 70 22.613 6.379 12.182 1.00 0.00 H new ATOM 1091 N ILE A 71 20.967 9.054 9.766 1.00 0.00 N ATOM 1092 CA ILE A 71 20.284 8.798 8.503 1.00 0.00 C ATOM 1093 C ILE A 71 20.906 9.625 7.381 1.00 0.00 C ATOM 1094 O ILE A 71 21.595 10.613 7.633 1.00 0.00 O ATOM 1095 CB ILE A 71 18.801 9.146 8.634 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.656 10.617 9.028 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.163 8.266 9.711 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.172 10.964 9.175 1.00 0.00 C ATOM 0 H ILE A 71 21.041 10.040 10.018 1.00 0.00 H new ATOM 0 HA ILE A 71 20.389 7.741 8.261 1.00 0.00 H new ATOM 0 HB ILE A 71 18.302 8.973 7.680 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.179 10.806 9.965 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.116 11.254 8.272 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.106 8.514 9.804 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.266 7.217 9.432 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.662 8.439 10.665 1.00 0.00 H new ATOM 0 HD11 ILE A 71 17.070 12.012 9.456 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.662 10.791 8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.726 10.336 9.947 1.00 0.00 H new ATOM 1110 N LYS A 72 20.657 9.214 6.141 1.00 0.00 N ATOM 1111 CA LYS A 72 21.206 9.919 4.988 1.00 0.00 C ATOM 1112 C LYS A 72 20.257 9.824 3.798 1.00 0.00 C ATOM 1113 O LYS A 72 19.396 8.946 3.747 1.00 0.00 O ATOM 1114 CB LYS A 72 22.562 9.320 4.610 1.00 0.00 C ATOM 1115 CG LYS A 72 23.402 10.375 3.886 1.00 0.00 C ATOM 1116 CD LYS A 72 24.523 9.687 3.104 1.00 0.00 C ATOM 1117 CE LYS A 72 24.026 9.332 1.702 1.00 0.00 C ATOM 1118 NZ LYS A 72 23.637 10.578 0.983 1.00 0.00 N ATOM 0 H LYS A 72 20.083 8.403 5.910 1.00 0.00 H new ATOM 0 HA LYS A 72 21.332 10.969 5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 72 23.082 8.977 5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 72 22.421 8.449 3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.774 10.953 3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.824 11.076 4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 72 25.390 10.344 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 72 24.844 8.786 3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 72 24.807 8.809 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 72 23.174 8.656 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.609 10.582 0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 23.903 11.406 1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 24.127 10.617 0.066 1.00 0.00 H new ATOM 1132 N ALA A 73 20.423 10.733 2.842 1.00 0.00 N ATOM 1133 CA ALA A 73 19.584 10.735 1.649 1.00 0.00 C ATOM 1134 C ALA A 73 20.163 9.803 0.588 1.00 0.00 C ATOM 1135 O ALA A 73 21.367 9.556 0.556 1.00 0.00 O ATOM 1136 CB ALA A 73 19.482 12.154 1.084 1.00 0.00 C ATOM 0 H ALA A 73 21.125 11.472 2.869 1.00 0.00 H new ATOM 0 HA ALA A 73 18.590 10.382 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.854 12.147 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.042 12.813 1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.477 12.514 0.823 1.00 0.00 H new ATOM 1142 N LEU A 74 19.294 9.289 -0.276 1.00 0.00 N ATOM 1143 CA LEU A 74 19.727 8.368 -1.322 1.00 0.00 C ATOM 1144 C LEU A 74 19.573 9.008 -2.698 1.00 0.00 C ATOM 1145 O LEU A 74 20.365 9.866 -3.087 1.00 0.00 O ATOM 1146 CB LEU A 74 18.905 7.080 -1.257 1.00 0.00 C ATOM 1147 CG LEU A 74 19.177 6.367 0.068 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.291 5.125 0.173 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.648 5.952 0.128 1.00 0.00 C ATOM 0 H LEU A 74 18.294 9.492 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 74 20.779 8.133 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.843 7.309 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.163 6.429 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 74 18.954 7.040 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.486 4.618 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.243 5.421 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.512 4.450 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.844 5.443 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.870 5.279 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.279 6.838 0.055 1.00 0.00 H new ATOM 1161 N GLY A 75 18.548 8.584 -3.431 1.00 0.00 N ATOM 1162 CA GLY A 75 18.323 9.093 -4.778 1.00 0.00 C ATOM 1163 C GLY A 75 17.091 9.990 -4.822 1.00 0.00 C ATOM 1164 O GLY A 75 16.047 9.656 -4.260 1.00 0.00 O ATOM 0 H GLY A 75 17.865 7.894 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.197 9.653 -5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.196 8.260 -5.469 1.00 0.00 H new ATOM 1168 N LYS A 76 17.217 11.130 -5.493 1.00 0.00 N ATOM 1169 CA LYS A 76 16.098 12.053 -5.631 1.00 0.00 C ATOM 1170 C LYS A 76 15.722 12.643 -4.275 1.00 0.00 C ATOM 1171 O LYS A 76 15.681 13.862 -4.108 1.00 0.00 O ATOM 1172 CB LYS A 76 14.890 11.326 -6.226 1.00 0.00 C ATOM 1173 CG LYS A 76 14.099 12.289 -7.112 1.00 0.00 C ATOM 1174 CD LYS A 76 13.663 13.501 -6.288 1.00 0.00 C ATOM 1175 CE LYS A 76 12.566 14.261 -7.037 1.00 0.00 C ATOM 1176 NZ LYS A 76 12.167 15.461 -6.249 1.00 0.00 N ATOM 0 H LYS A 76 18.078 11.435 -5.947 1.00 0.00 H new ATOM 0 HA LYS A 76 16.398 12.862 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.221 10.467 -6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.253 10.943 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.711 12.610 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.226 11.785 -7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.296 13.178 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.515 14.156 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.924 14.562 -8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.704 13.614 -7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.421 15.978 -6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.809 15.163 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.992 16.081 -6.120 1.00 0.00 H new ATOM 1190 N THR A 77 15.450 11.770 -3.312 1.00 0.00 N ATOM 1191 CA THR A 77 15.054 12.216 -1.981 1.00 0.00 C ATOM 1192 C THR A 77 15.983 13.320 -1.488 1.00 0.00 C ATOM 1193 O THR A 77 17.196 13.128 -1.392 1.00 0.00 O ATOM 1194 CB THR A 77 15.094 11.038 -1.003 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.207 10.023 -1.452 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.669 11.513 0.388 1.00 0.00 C ATOM 0 H THR A 77 15.496 10.757 -3.426 1.00 0.00 H new ATOM 0 HA THR A 77 14.039 12.609 -2.036 1.00 0.00 H new ATOM 0 HB THR A 77 16.107 10.639 -0.953 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.719 9.312 -1.892 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.698 10.674 1.083 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.350 12.292 0.730 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.656 11.912 0.342 1.00 0.00 H new ATOM 1204 N LYS A 78 15.407 14.477 -1.177 1.00 0.00 N ATOM 1205 CA LYS A 78 16.193 15.602 -0.685 1.00 0.00 C ATOM 1206 C LYS A 78 16.213 15.613 0.840 1.00 0.00 C ATOM 1207 O LYS A 78 15.165 15.568 1.485 1.00 0.00 O ATOM 1208 CB LYS A 78 15.604 16.916 -1.200 1.00 0.00 C ATOM 1209 CG LYS A 78 16.589 18.056 -0.934 1.00 0.00 C ATOM 1210 CD LYS A 78 17.607 18.129 -2.074 1.00 0.00 C ATOM 1211 CE LYS A 78 18.515 19.342 -1.871 1.00 0.00 C ATOM 1212 NZ LYS A 78 19.395 19.112 -0.690 1.00 0.00 N ATOM 0 H LYS A 78 14.407 14.659 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 78 17.215 15.496 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.398 16.841 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.654 17.119 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.053 19.001 -0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 78 17.101 17.894 0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.203 17.217 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.092 18.204 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 78 19.120 19.510 -2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.914 20.239 -1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 20.154 19.823 -0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.834 19.191 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.812 18.161 -0.748 1.00 0.00 H new ATOM 1226 N LEU A 79 17.411 15.675 1.411 1.00 0.00 N ATOM 1227 CA LEU A 79 17.555 15.684 2.862 1.00 0.00 C ATOM 1228 C LEU A 79 18.029 17.050 3.346 1.00 0.00 C ATOM 1229 O LEU A 79 18.975 17.619 2.801 1.00 0.00 O ATOM 1230 CB LEU A 79 18.559 14.612 3.292 1.00 0.00 C ATOM 1231 CG LEU A 79 18.729 14.653 4.811 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.380 14.397 5.484 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.724 13.573 5.242 1.00 0.00 C ATOM 0 H LEU A 79 18.290 15.719 0.896 1.00 0.00 H new ATOM 0 HA LEU A 79 16.583 15.472 3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.211 13.627 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.519 14.780 2.803 1.00 0.00 H new ATOM 0 HG LEU A 79 19.103 15.633 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.502 14.426 6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.669 15.165 5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.006 13.417 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.846 13.602 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.349 12.594 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.687 13.754 4.764 1.00 0.00 H new ATOM 1245 N GLU A 80 17.364 17.571 4.372 1.00 0.00 N ATOM 1246 CA GLU A 80 17.727 18.871 4.924 1.00 0.00 C ATOM 1247 C GLU A 80 17.384 18.937 6.409 1.00 0.00 C ATOM 1248 O GLU A 80 16.401 18.346 6.856 1.00 0.00 O ATOM 1249 CB GLU A 80 16.985 19.980 4.176 1.00 0.00 C ATOM 1250 CG GLU A 80 15.476 19.768 4.313 1.00 0.00 C ATOM 1251 CD GLU A 80 14.726 20.812 3.493 1.00 0.00 C ATOM 1252 OE1 GLU A 80 15.377 21.688 2.949 1.00 0.00 O ATOM 1253 OE2 GLU A 80 13.511 20.720 3.422 1.00 0.00 O ATOM 0 H GLU A 80 16.577 17.117 4.835 1.00 0.00 H new ATOM 0 HA GLU A 80 18.802 19.009 4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.264 20.954 4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 80 17.269 19.976 3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.209 18.767 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.184 19.838 5.361 1.00 0.00 H new ATOM 1260 N GLN A 81 18.202 19.660 7.168 1.00 0.00 N ATOM 1261 CA GLN A 81 17.976 19.794 8.603 1.00 0.00 C ATOM 1262 C GLN A 81 17.498 21.202 8.940 1.00 0.00 C ATOM 1263 O GLN A 81 17.807 22.160 8.231 1.00 0.00 O ATOM 1264 CB GLN A 81 19.267 19.494 9.364 1.00 0.00 C ATOM 1265 CG GLN A 81 18.978 19.455 10.866 1.00 0.00 C ATOM 1266 CD GLN A 81 20.240 19.071 11.631 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.256 18.733 11.023 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.236 19.100 12.935 1.00 0.00 N ATOM 0 H GLN A 81 19.020 20.158 6.817 1.00 0.00 H new ATOM 0 HA GLN A 81 17.206 19.081 8.900 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.680 18.540 9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 81 20.015 20.256 9.147 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.622 20.429 11.201 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.185 18.737 11.073 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.393 19.380 13.436 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.076 18.842 13.453 1.00 0.00 H new ATOM 1277 N GLN A 82 16.743 21.320 10.028 1.00 0.00 N ATOM 1278 CA GLN A 82 16.227 22.616 10.451 1.00 0.00 C ATOM 1279 C GLN A 82 16.961 23.104 11.696 1.00 0.00 C ATOM 1280 O GLN A 82 17.715 22.356 12.318 1.00 0.00 O ATOM 1281 CB GLN A 82 14.730 22.512 10.747 1.00 0.00 C ATOM 1282 CG GLN A 82 14.106 21.440 9.851 1.00 0.00 C ATOM 1283 CD GLN A 82 14.456 21.712 8.393 1.00 0.00 C ATOM 1284 OE1 GLN A 82 15.056 20.790 7.691 1.00 0.00 O flip ATOM 1285 NE2 GLN A 82 14.173 22.794 7.877 1.00 0.00 N flip ATOM 0 H GLN A 82 16.477 20.540 10.628 1.00 0.00 H new ATOM 0 HA GLN A 82 16.388 23.331 9.644 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.572 22.261 11.796 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.246 23.473 10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.468 20.454 10.143 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.024 21.432 9.979 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.704 23.514 8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.408 22.970 6.900 1.00 0.00 H new ATOM 1294 N GLU A 83 16.735 24.364 12.055 1.00 0.00 N ATOM 1295 CA GLU A 83 17.381 24.942 13.229 1.00 0.00 C ATOM 1296 C GLU A 83 16.917 24.233 14.498 1.00 0.00 C ATOM 1297 O GLU A 83 17.701 24.017 15.422 1.00 0.00 O ATOM 1298 CB GLU A 83 17.053 26.432 13.325 1.00 0.00 C ATOM 1299 CG GLU A 83 17.501 27.139 12.044 1.00 0.00 C ATOM 1300 CD GLU A 83 19.019 27.067 11.914 1.00 0.00 C ATOM 1301 OE1 GLU A 83 19.669 26.820 12.917 1.00 0.00 O ATOM 1302 OE2 GLU A 83 19.510 27.259 10.813 1.00 0.00 O ATOM 0 H GLU A 83 16.114 25.000 11.554 1.00 0.00 H new ATOM 0 HA GLU A 83 18.459 24.814 13.128 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.982 26.570 13.473 1.00 0.00 H new ATOM 0 HB3 GLU A 83 17.554 26.870 14.188 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.031 26.673 11.178 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.178 28.180 12.061 1.00 0.00 H new ATOM 1309 N ASN A 84 15.638 23.874 14.534 1.00 0.00 N ATOM 1310 CA ASN A 84 15.079 23.192 15.696 1.00 0.00 C ATOM 1311 C ASN A 84 15.826 21.891 15.966 1.00 0.00 C ATOM 1312 O ASN A 84 15.851 21.401 17.095 1.00 0.00 O ATOM 1313 CB ASN A 84 13.596 22.893 15.462 1.00 0.00 C ATOM 1314 CG ASN A 84 13.409 22.226 14.103 1.00 0.00 C ATOM 1315 OD1 ASN A 84 14.090 21.150 13.815 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.622 22.697 13.283 1.00 0.00 N flip ATOM 0 H ASN A 84 14.973 24.042 13.779 1.00 0.00 H new ATOM 0 HA ASN A 84 15.186 23.844 16.563 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.218 22.243 16.251 1.00 0.00 H new ATOM 0 HB3 ASN A 84 13.018 23.816 15.506 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.091 23.538 13.510 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.500 22.247 12.376 1.00 0.00 H new ATOM 1323 N GLY A 85 16.431 21.335 14.922 1.00 0.00 N ATOM 1324 CA GLY A 85 17.186 20.095 15.060 1.00 0.00 C ATOM 1325 C GLY A 85 16.356 18.901 14.604 1.00 0.00 C ATOM 1326 O GLY A 85 16.185 17.932 15.344 1.00 0.00 O ATOM 0 H GLY A 85 16.414 21.720 13.978 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.101 20.154 14.470 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.485 19.960 16.100 1.00 0.00 H new ATOM 1330 N GLU A 86 15.841 18.976 13.381 1.00 0.00 N ATOM 1331 CA GLU A 86 15.047 17.885 12.827 1.00 0.00 C ATOM 1332 C GLU A 86 15.424 17.633 11.371 1.00 0.00 C ATOM 1333 O GLU A 86 15.727 18.565 10.628 1.00 0.00 O ATOM 1334 CB GLU A 86 13.558 18.226 12.918 1.00 0.00 C ATOM 1335 CG GLU A 86 13.135 18.291 14.387 1.00 0.00 C ATOM 1336 CD GLU A 86 11.649 18.615 14.488 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.067 18.953 13.471 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.115 18.521 15.580 1.00 0.00 O ATOM 0 H GLU A 86 15.958 19.775 12.758 1.00 0.00 H new ATOM 0 HA GLU A 86 15.250 16.983 13.404 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.363 19.181 12.430 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.970 17.474 12.393 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.342 17.339 14.876 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.717 19.051 14.908 1.00 0.00 H new ATOM 1345 N TRP A 87 15.401 16.365 10.971 1.00 0.00 N ATOM 1346 CA TRP A 87 15.744 16.001 9.600 1.00 0.00 C ATOM 1347 C TRP A 87 14.481 15.782 8.773 1.00 0.00 C ATOM 1348 O TRP A 87 13.519 15.172 9.241 1.00 0.00 O ATOM 1349 CB TRP A 87 16.588 14.724 9.594 1.00 0.00 C ATOM 1350 CG TRP A 87 17.970 15.036 10.069 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.424 14.828 11.328 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.082 15.610 9.323 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.742 15.238 11.400 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.194 15.726 10.190 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.231 16.037 7.991 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.412 16.248 9.751 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.456 16.561 7.546 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.543 16.667 8.425 1.00 0.00 C ATOM 0 H TRP A 87 15.151 15.579 11.570 1.00 0.00 H new ATOM 0 HA TRP A 87 16.317 16.817 9.159 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.132 13.972 10.238 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.624 14.304 8.589 1.00 0.00 H new ATOM 0 HD1 TRP A 87 17.850 14.410 12.142 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.312 15.186 12.245 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.399 15.962 7.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.247 16.327 10.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.561 16.884 6.521 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.481 17.073 8.077 1.00 0.00 H new ATOM 1369 N VAL A 88 14.491 16.284 7.543 1.00 0.00 N ATOM 1370 CA VAL A 88 13.337 16.144 6.663 1.00 0.00 C ATOM 1371 C VAL A 88 13.738 15.468 5.356 1.00 0.00 C ATOM 1372 O VAL A 88 14.736 15.836 4.736 1.00 0.00 O ATOM 1373 CB VAL A 88 12.735 17.518 6.365 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.606 17.371 5.343 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.176 18.119 7.658 1.00 0.00 C ATOM 0 H VAL A 88 15.279 16.788 7.135 1.00 0.00 H new ATOM 0 HA VAL A 88 12.595 15.525 7.167 1.00 0.00 H new ATOM 0 HB VAL A 88 13.507 18.173 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.177 18.350 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.002 16.941 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.833 16.716 5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.746 19.098 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.404 17.463 8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.979 18.224 8.387 1.00 0.00 H new ATOM 1385 N ALA A 89 12.955 14.477 4.943 1.00 0.00 N ATOM 1386 CA ALA A 89 13.237 13.757 3.705 1.00 0.00 C ATOM 1387 C ALA A 89 11.946 13.490 2.937 1.00 0.00 C ATOM 1388 O ALA A 89 11.137 12.653 3.338 1.00 0.00 O ATOM 1389 CB ALA A 89 13.931 12.431 4.019 1.00 0.00 C ATOM 0 H ALA A 89 12.126 14.155 5.443 1.00 0.00 H new ATOM 0 HA ALA A 89 13.893 14.372 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.138 11.900 3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.867 12.625 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.283 11.821 4.649 1.00 0.00 H new ATOM 1395 N SER A 90 11.761 14.205 1.833 1.00 0.00 N ATOM 1396 CA SER A 90 10.559 14.044 1.022 1.00 0.00 C ATOM 1397 C SER A 90 10.917 13.564 -0.380 1.00 0.00 C ATOM 1398 O SER A 90 11.955 13.935 -0.927 1.00 0.00 O ATOM 1399 CB SER A 90 9.809 15.373 0.932 1.00 0.00 C ATOM 1400 OG SER A 90 10.530 16.263 0.091 1.00 0.00 O ATOM 0 H SER A 90 12.422 14.897 1.481 1.00 0.00 H new ATOM 0 HA SER A 90 9.921 13.298 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.806 15.212 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.693 15.806 1.925 1.00 0.00 H new ATOM 0 HG SER A 90 10.051 17.116 0.030 1.00 0.00 H new ATOM 1406 N VAL A 91 10.050 12.738 -0.955 1.00 0.00 N ATOM 1407 CA VAL A 91 10.279 12.218 -2.298 1.00 0.00 C ATOM 1408 C VAL A 91 8.976 11.697 -2.898 1.00 0.00 C ATOM 1409 O VAL A 91 8.184 11.050 -2.215 1.00 0.00 O ATOM 1410 CB VAL A 91 11.310 11.090 -2.253 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.646 9.811 -1.740 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.862 10.848 -3.660 1.00 0.00 C ATOM 0 H VAL A 91 9.188 12.416 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 91 10.656 13.028 -2.923 1.00 0.00 H new ATOM 0 HB VAL A 91 12.125 11.369 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.381 9.007 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.252 9.982 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.831 9.531 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.597 10.044 -3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 91 11.047 10.569 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.336 11.759 -4.027 1.00 0.00 H new ATOM 1422 N VAL A 92 8.763 11.985 -4.177 1.00 0.00 N ATOM 1423 CA VAL A 92 7.556 11.532 -4.860 1.00 0.00 C ATOM 1424 C VAL A 92 7.853 10.314 -5.728 1.00 0.00 C ATOM 1425 O VAL A 92 8.819 10.303 -6.490 1.00 0.00 O ATOM 1426 CB VAL A 92 6.999 12.659 -5.733 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.650 12.233 -6.317 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.811 13.916 -4.883 1.00 0.00 C ATOM 0 H VAL A 92 9.404 12.525 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 92 6.818 11.254 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 92 7.696 12.869 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.253 13.035 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.782 11.336 -6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.952 12.023 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.414 14.719 -5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.113 13.706 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.771 14.220 -4.466 1.00 0.00 H new ATOM 1438 N VAL A 93 7.015 9.290 -5.605 1.00 0.00 N ATOM 1439 CA VAL A 93 7.203 8.064 -6.373 1.00 0.00 C ATOM 1440 C VAL A 93 6.067 7.882 -7.374 1.00 0.00 C ATOM 1441 O VAL A 93 4.896 8.041 -7.032 1.00 0.00 O ATOM 1442 CB VAL A 93 7.254 6.860 -5.432 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.702 5.622 -6.209 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.249 7.138 -4.302 1.00 0.00 C ATOM 0 H VAL A 93 6.205 9.284 -4.986 1.00 0.00 H new ATOM 0 HA VAL A 93 8.145 8.138 -6.917 1.00 0.00 H new ATOM 0 HB VAL A 93 6.263 6.687 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.738 4.764 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.995 5.423 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.692 5.795 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.286 6.280 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.239 7.312 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.931 8.020 -3.746 1.00 0.00 H new ATOM 1454 N TYR A 94 6.421 7.546 -8.609 1.00 0.00 N ATOM 1455 CA TYR A 94 5.421 7.343 -9.651 1.00 0.00 C ATOM 1456 C TYR A 94 5.069 5.863 -9.772 1.00 0.00 C ATOM 1457 O TYR A 94 5.879 4.993 -9.454 1.00 0.00 O ATOM 1458 CB TYR A 94 5.949 7.858 -10.991 1.00 0.00 C ATOM 1459 CG TYR A 94 6.072 9.361 -10.937 1.00 0.00 C ATOM 1460 CD1 TYR A 94 4.925 10.154 -10.813 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.335 9.962 -10.996 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.041 11.548 -10.752 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.451 11.356 -10.937 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.304 12.148 -10.815 1.00 0.00 C ATOM 1465 OH TYR A 94 6.418 13.523 -10.756 1.00 0.00 O ATOM 0 H TYR A 94 7.385 7.409 -8.912 1.00 0.00 H new ATOM 0 HA TYR A 94 4.522 7.898 -9.381 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.919 7.410 -11.209 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.275 7.566 -11.796 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.951 9.691 -10.764 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.220 9.350 -11.087 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.156 12.160 -10.656 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.425 11.820 -10.986 1.00 0.00 H new ATOM 0 HH TYR A 94 7.363 13.776 -10.812 1.00 0.00 H new ATOM 1475 N PRO A 95 3.879 5.571 -10.222 1.00 0.00 N ATOM 1476 CA PRO A 95 3.400 4.168 -10.388 1.00 0.00 C ATOM 1477 C PRO A 95 4.334 3.344 -11.269 1.00 0.00 C ATOM 1478 O PRO A 95 5.052 3.886 -12.110 1.00 0.00 O ATOM 1479 CB PRO A 95 2.023 4.318 -11.043 1.00 0.00 C ATOM 1480 CG PRO A 95 1.574 5.707 -10.730 1.00 0.00 C ATOM 1481 CD PRO A 95 2.836 6.562 -10.621 1.00 0.00 C ATOM 0 HA PRO A 95 3.363 3.638 -9.437 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.083 4.159 -12.120 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.321 3.582 -10.651 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.916 6.086 -11.512 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.009 5.730 -9.798 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.079 7.045 -11.567 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.725 7.352 -9.879 1.00 0.00 H new ATOM 1489 N CYS A 96 4.321 2.029 -11.069 1.00 0.00 N ATOM 1490 CA CYS A 96 5.166 1.137 -11.855 1.00 0.00 C ATOM 1491 C CYS A 96 6.626 1.573 -11.768 1.00 0.00 C ATOM 1492 O CYS A 96 7.437 1.230 -12.628 1.00 0.00 O ATOM 1493 CB CYS A 96 4.714 1.142 -13.316 1.00 0.00 C ATOM 1494 SG CYS A 96 2.910 1.008 -13.389 1.00 0.00 S ATOM 0 H CYS A 96 3.739 1.561 -10.374 1.00 0.00 H new ATOM 0 HA CYS A 96 5.074 0.128 -11.452 1.00 0.00 H new ATOM 0 HB2 CYS A 96 5.042 2.059 -13.806 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.173 0.312 -13.853 1.00 0.00 H new ATOM 0 HG CYS A 96 2.524 1.014 -14.630 1.00 0.00 H new ATOM 1500 N GLU A 97 6.951 2.330 -10.725 1.00 0.00 N ATOM 1501 CA GLU A 97 8.317 2.804 -10.533 1.00 0.00 C ATOM 1502 C GLU A 97 8.715 2.708 -9.064 1.00 0.00 C ATOM 1503 O GLU A 97 7.861 2.724 -8.178 1.00 0.00 O ATOM 1504 CB GLU A 97 8.437 4.255 -11.003 1.00 0.00 C ATOM 1505 CG GLU A 97 9.903 4.577 -11.299 1.00 0.00 C ATOM 1506 CD GLU A 97 10.347 3.860 -12.569 1.00 0.00 C ATOM 1507 OE1 GLU A 97 9.490 3.544 -13.379 1.00 0.00 O ATOM 1508 OE2 GLU A 97 11.537 3.638 -12.715 1.00 0.00 O ATOM 0 H GLU A 97 6.293 2.627 -10.005 1.00 0.00 H new ATOM 0 HA GLU A 97 8.986 2.176 -11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.832 4.410 -11.896 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.053 4.929 -10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.031 5.653 -11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.528 4.270 -10.460 1.00 0.00 H new ATOM 1515 N THR A 98 10.017 2.610 -8.814 1.00 0.00 N ATOM 1516 CA THR A 98 10.517 2.513 -7.447 1.00 0.00 C ATOM 1517 C THR A 98 11.772 3.363 -7.276 1.00 0.00 C ATOM 1518 O THR A 98 12.776 3.148 -7.954 1.00 0.00 O ATOM 1519 CB THR A 98 10.836 1.055 -7.109 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.857 0.209 -7.698 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.829 0.867 -5.592 1.00 0.00 C ATOM 0 H THR A 98 10.740 2.596 -9.534 1.00 0.00 H new ATOM 0 HA THR A 98 9.746 2.882 -6.770 1.00 0.00 H new ATOM 0 HB THR A 98 11.821 0.799 -7.499 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.357 -0.253 -6.993 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.056 -0.172 -5.353 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.580 1.516 -5.142 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.845 1.123 -5.198 1.00 0.00 H new ATOM 1529 N GLU A 99 11.708 4.328 -6.365 1.00 0.00 N ATOM 1530 CA GLU A 99 12.839 5.218 -6.128 1.00 0.00 C ATOM 1531 C GLU A 99 13.421 4.989 -4.737 1.00 0.00 C ATOM 1532 O GLU A 99 12.799 4.345 -3.892 1.00 0.00 O ATOM 1533 CB GLU A 99 12.393 6.675 -6.263 1.00 0.00 C ATOM 1534 CG GLU A 99 11.837 6.912 -7.668 1.00 0.00 C ATOM 1535 CD GLU A 99 12.943 6.739 -8.703 1.00 0.00 C ATOM 1536 OE1 GLU A 99 14.100 6.796 -8.320 1.00 0.00 O ATOM 1537 OE2 GLU A 99 12.618 6.552 -9.864 1.00 0.00 O ATOM 0 H GLU A 99 10.892 4.513 -5.782 1.00 0.00 H new ATOM 0 HA GLU A 99 13.608 5.002 -6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.633 6.904 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.234 7.342 -6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.026 6.212 -7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.417 7.915 -7.737 1.00 0.00 H new ATOM 1544 N MET A 100 14.618 5.518 -4.508 1.00 0.00 N ATOM 1545 CA MET A 100 15.275 5.369 -3.215 1.00 0.00 C ATOM 1546 C MET A 100 14.833 6.471 -2.258 1.00 0.00 C ATOM 1547 O MET A 100 14.535 7.589 -2.679 1.00 0.00 O ATOM 1548 CB MET A 100 16.793 5.423 -3.390 1.00 0.00 C ATOM 1549 CG MET A 100 17.225 4.397 -4.439 1.00 0.00 C ATOM 1550 SD MET A 100 16.691 2.747 -3.921 1.00 0.00 S ATOM 1551 CE MET A 100 17.690 2.646 -2.416 1.00 0.00 C ATOM 0 H MET A 100 15.150 6.051 -5.196 1.00 0.00 H new ATOM 0 HA MET A 100 14.992 4.404 -2.796 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.098 6.423 -3.697 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.286 5.217 -2.440 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.790 4.645 -5.407 1.00 0.00 H new ATOM 0 HG3 MET A 100 18.308 4.419 -4.561 1.00 0.00 H new ATOM 0 HE1 MET A 100 17.948 1.605 -2.220 1.00 0.00 H new ATOM 0 HE2 MET A 100 18.602 3.228 -2.545 1.00 0.00 H new ATOM 0 HE3 MET A 100 17.122 3.043 -1.575 1.00 0.00 H new ATOM 1561 N PHE A 101 14.794 6.150 -0.969 1.00 0.00 N ATOM 1562 CA PHE A 101 14.384 7.121 0.038 1.00 0.00 C ATOM 1563 C PHE A 101 15.574 7.532 0.901 1.00 0.00 C ATOM 1564 O PHE A 101 16.417 8.321 0.476 1.00 0.00 O ATOM 1565 CB PHE A 101 13.290 6.526 0.926 1.00 0.00 C ATOM 1566 CG PHE A 101 12.801 7.577 1.894 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.549 8.878 1.443 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.569 7.243 3.233 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.075 9.849 2.334 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.095 8.213 4.125 1.00 0.00 C ATOM 1571 CZ PHE A 101 11.849 9.516 3.675 1.00 0.00 C ATOM 0 H PHE A 101 15.039 5.232 -0.599 1.00 0.00 H new ATOM 0 HA PHE A 101 13.996 8.003 -0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.463 6.168 0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.677 5.666 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.720 9.133 0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.756 6.237 3.579 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.884 10.854 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 101 11.919 7.956 5.159 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.485 10.265 4.363 1.00 0.00 H new ATOM 1581 N ILE A 102 15.634 6.990 2.113 1.00 0.00 N ATOM 1582 CA ILE A 102 16.734 7.295 3.021 1.00 0.00 C ATOM 1583 C ILE A 102 17.341 6.011 3.577 1.00 0.00 C ATOM 1584 O ILE A 102 16.727 4.945 3.518 1.00 0.00 O ATOM 1585 CB ILE A 102 16.232 8.165 4.174 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.322 7.333 5.081 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.444 9.350 3.614 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.175 6.552 6.082 1.00 0.00 C ATOM 0 H ILE A 102 14.940 6.343 2.487 1.00 0.00 H new ATOM 0 HA ILE A 102 17.501 7.835 2.465 1.00 0.00 H new ATOM 0 HB ILE A 102 17.082 8.532 4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.625 7.983 5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.724 6.646 4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.086 9.970 4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.090 9.943 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.593 8.983 3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.527 5.960 6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.854 5.890 5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.753 7.249 6.689 1.00 0.00 H new ATOM 1600 N GLU A 103 18.551 6.120 4.118 1.00 0.00 N ATOM 1601 CA GLU A 103 19.230 4.960 4.684 1.00 0.00 C ATOM 1602 C GLU A 103 19.849 5.307 6.035 1.00 0.00 C ATOM 1603 O GLU A 103 19.719 6.433 6.517 1.00 0.00 O ATOM 1604 CB GLU A 103 20.324 4.478 3.729 1.00 0.00 C ATOM 1605 CG GLU A 103 21.450 5.512 3.678 1.00 0.00 C ATOM 1606 CD GLU A 103 22.465 5.126 2.606 1.00 0.00 C ATOM 1607 OE1 GLU A 103 22.349 4.033 2.077 1.00 0.00 O ATOM 1608 OE2 GLU A 103 23.340 5.928 2.332 1.00 0.00 O ATOM 0 H GLU A 103 19.077 6.992 4.176 1.00 0.00 H new ATOM 0 HA GLU A 103 18.496 4.167 4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 103 20.714 3.516 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.910 4.326 2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.039 6.499 3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 103 21.941 5.575 4.649 1.00 0.00 H new ATOM 1615 N GLY A 104 20.521 4.334 6.641 1.00 0.00 N ATOM 1616 CA GLY A 104 21.159 4.548 7.934 1.00 0.00 C ATOM 1617 C GLY A 104 20.282 4.026 9.068 1.00 0.00 C ATOM 1618 O GLY A 104 19.386 3.212 8.848 1.00 0.00 O ATOM 0 H GLY A 104 20.637 3.395 6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.125 4.044 7.955 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.351 5.611 8.078 1.00 0.00 H new ATOM 1622 N ARG A 105 20.545 4.503 10.281 1.00 0.00 N ATOM 1623 CA ARG A 105 19.777 4.073 11.443 1.00 0.00 C ATOM 1624 C ARG A 105 18.644 5.054 11.725 1.00 0.00 C ATOM 1625 O ARG A 105 18.805 6.264 11.569 1.00 0.00 O ATOM 1626 CB ARG A 105 20.689 3.975 12.668 1.00 0.00 C ATOM 1627 CG ARG A 105 19.948 3.269 13.804 1.00 0.00 C ATOM 1628 CD ARG A 105 20.854 3.189 15.033 1.00 0.00 C ATOM 1629 NE ARG A 105 20.214 2.403 16.082 1.00 0.00 N ATOM 1630 CZ ARG A 105 19.313 2.946 16.895 1.00 0.00 C ATOM 1631 NH1 ARG A 105 18.989 4.203 16.761 1.00 0.00 N ATOM 1632 NH2 ARG A 105 18.755 2.223 17.826 1.00 0.00 N ATOM 0 H ARG A 105 21.278 5.182 10.483 1.00 0.00 H new ATOM 0 HA ARG A 105 19.351 3.092 11.232 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.596 3.426 12.416 1.00 0.00 H new ATOM 0 HB3 ARG A 105 20.997 4.971 12.985 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.034 3.810 14.048 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.652 2.268 13.492 1.00 0.00 H new ATOM 0 HD2 ARG A 105 21.808 2.737 14.761 1.00 0.00 H new ATOM 0 HD3 ARG A 105 21.069 4.192 15.401 1.00 0.00 H new ATOM 0 HE ARG A 105 20.462 1.420 16.194 1.00 0.00 H new ATOM 0 HH11 ARG A 105 19.427 4.768 16.033 1.00 0.00 H new ATOM 0 HH12 ARG A 105 18.298 4.621 17.384 1.00 0.00 H new ATOM 0 HH21 ARG A 105 19.010 1.241 17.930 1.00 0.00 H new ATOM 0 HH22 ARG A 105 18.064 2.640 18.450 1.00 0.00 H new ATOM 1646 N VAL A 106 17.496 4.526 12.139 1.00 0.00 N ATOM 1647 CA VAL A 106 16.344 5.368 12.435 1.00 0.00 C ATOM 1648 C VAL A 106 15.848 5.126 13.857 1.00 0.00 C ATOM 1649 O VAL A 106 15.737 3.983 14.302 1.00 0.00 O ATOM 1650 CB VAL A 106 15.215 5.076 11.444 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.205 6.224 11.466 1.00 0.00 C ATOM 1652 CG2 VAL A 106 15.797 4.937 10.036 1.00 0.00 C ATOM 0 H VAL A 106 17.340 3.527 12.276 1.00 0.00 H new ATOM 0 HA VAL A 106 16.650 6.410 12.343 1.00 0.00 H new ATOM 0 HB VAL A 106 14.716 4.149 11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.401 6.015 10.760 1.00 0.00 H new ATOM 0 HG12 VAL A 106 13.790 6.324 12.469 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.703 7.152 11.185 1.00 0.00 H new ATOM 0 HG21 VAL A 106 14.994 4.729 9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.296 5.865 9.755 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.516 4.118 10.019 1.00 0.00 H new ATOM 1662 N ASN A 107 15.547 6.211 14.564 1.00 0.00 N ATOM 1663 CA ASN A 107 15.064 6.112 15.937 1.00 0.00 C ATOM 1664 C ASN A 107 14.106 7.258 16.245 1.00 0.00 C ATOM 1665 O ASN A 107 14.489 8.426 16.204 1.00 0.00 O ATOM 1666 CB ASN A 107 16.244 6.152 16.911 1.00 0.00 C ATOM 1667 CG ASN A 107 17.379 6.982 16.323 1.00 0.00 C ATOM 1668 OD1 ASN A 107 17.804 6.742 15.192 1.00 0.00 O ATOM 1669 ND2 ASN A 107 17.901 7.951 17.025 1.00 0.00 N ATOM 0 H ASN A 107 15.628 7.164 14.211 1.00 0.00 H new ATOM 0 HA ASN A 107 14.534 5.166 16.052 1.00 0.00 H new ATOM 0 HB2 ASN A 107 15.926 6.578 17.863 1.00 0.00 H new ATOM 0 HB3 ASN A 107 16.591 5.139 17.116 1.00 0.00 H new ATOM 0 HD21 ASN A 107 18.661 8.510 16.637 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.549 8.149 17.961 1.00 0.00 H new ATOM 1676 N GLY A 108 12.858 6.916 16.548 1.00 0.00 N ATOM 1677 CA GLY A 108 11.856 7.928 16.859 1.00 0.00 C ATOM 1678 C GLY A 108 11.706 8.908 15.700 1.00 0.00 C ATOM 1679 O GLY A 108 12.521 9.815 15.533 1.00 0.00 O ATOM 0 H GLY A 108 12.519 5.955 16.585 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.899 7.449 17.064 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.143 8.466 17.763 1.00 0.00 H new ATOM 1683 N PHE A 109 10.663 8.719 14.898 1.00 0.00 N ATOM 1684 CA PHE A 109 10.429 9.591 13.753 1.00 0.00 C ATOM 1685 C PHE A 109 8.945 9.641 13.406 1.00 0.00 C ATOM 1686 O PHE A 109 8.193 8.715 13.711 1.00 0.00 O ATOM 1687 CB PHE A 109 11.218 9.080 12.546 1.00 0.00 C ATOM 1688 CG PHE A 109 10.862 7.634 12.291 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.445 6.623 13.064 1.00 0.00 C ATOM 1690 CD2 PHE A 109 9.947 7.306 11.284 1.00 0.00 C ATOM 1691 CE1 PHE A 109 11.115 5.283 12.828 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.616 5.967 11.048 1.00 0.00 C ATOM 1693 CZ PHE A 109 10.200 4.955 11.820 1.00 0.00 C ATOM 0 H PHE A 109 9.973 7.978 15.018 1.00 0.00 H new ATOM 0 HA PHE A 109 10.761 10.596 14.012 1.00 0.00 H new ATOM 0 HB2 PHE A 109 10.990 9.683 11.667 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.288 9.176 12.730 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.149 6.877 13.842 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.496 8.087 10.689 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.566 4.503 13.423 1.00 0.00 H new ATOM 0 HE2 PHE A 109 8.910 5.714 10.271 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.945 3.922 11.638 1.00 0.00 H new ATOM 1703 N LYS A 110 8.532 10.729 12.762 1.00 0.00 N ATOM 1704 CA LYS A 110 7.139 10.887 12.361 1.00 0.00 C ATOM 1705 C LYS A 110 6.994 10.675 10.857 1.00 0.00 C ATOM 1706 O LYS A 110 7.768 11.215 10.067 1.00 0.00 O ATOM 1707 CB LYS A 110 6.642 12.285 12.734 1.00 0.00 C ATOM 1708 CG LYS A 110 6.829 12.509 14.236 1.00 0.00 C ATOM 1709 CD LYS A 110 6.259 13.875 14.625 1.00 0.00 C ATOM 1710 CE LYS A 110 6.693 14.223 16.049 1.00 0.00 C ATOM 1711 NZ LYS A 110 5.854 15.341 16.566 1.00 0.00 N ATOM 0 H LYS A 110 9.138 11.509 12.508 1.00 0.00 H new ATOM 0 HA LYS A 110 6.540 10.141 12.883 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.192 13.040 12.172 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.590 12.392 12.468 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.327 11.721 14.797 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.887 12.458 14.493 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.609 14.638 13.930 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.171 13.859 14.559 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.593 13.350 16.694 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.745 14.508 16.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.149 15.578 17.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.971 16.174 15.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.855 15.052 16.570 1.00 0.00 H new ATOM 1725 N SER A 111 6.002 9.882 10.470 1.00 0.00 N ATOM 1726 CA SER A 111 5.777 9.589 9.059 1.00 0.00 C ATOM 1727 C SER A 111 4.450 10.175 8.584 1.00 0.00 C ATOM 1728 O SER A 111 3.430 10.062 9.262 1.00 0.00 O ATOM 1729 CB SER A 111 5.774 8.077 8.837 1.00 0.00 C ATOM 1730 OG SER A 111 6.968 7.521 9.374 1.00 0.00 O ATOM 0 H SER A 111 5.345 9.433 11.108 1.00 0.00 H new ATOM 0 HA SER A 111 6.584 10.044 8.484 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.903 7.629 9.316 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.702 7.854 7.772 1.00 0.00 H new ATOM 0 HG SER A 111 6.969 6.551 9.235 1.00 0.00 H new ATOM 1736 N LYS A 112 4.477 10.799 7.410 1.00 0.00 N ATOM 1737 CA LYS A 112 3.270 11.380 6.832 1.00 0.00 C ATOM 1738 C LYS A 112 3.196 11.067 5.341 1.00 0.00 C ATOM 1739 O LYS A 112 4.056 11.487 4.566 1.00 0.00 O ATOM 1740 CB LYS A 112 3.264 12.896 7.039 1.00 0.00 C ATOM 1741 CG LYS A 112 1.923 13.469 6.578 1.00 0.00 C ATOM 1742 CD LYS A 112 1.927 14.987 6.756 1.00 0.00 C ATOM 1743 CE LYS A 112 0.530 15.540 6.468 1.00 0.00 C ATOM 1744 NZ LYS A 112 0.087 15.089 5.118 1.00 0.00 N ATOM 0 H LYS A 112 5.317 10.915 6.843 1.00 0.00 H new ATOM 0 HA LYS A 112 2.403 10.947 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.430 13.131 8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.079 13.353 6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.748 13.216 5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.110 13.027 7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.229 15.244 7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.655 15.440 6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.173 15.196 7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.541 16.629 6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.709 15.678 4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.875 15.179 4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.215 14.095 5.166 1.00 0.00 H new ATOM 1758 N MET A 113 2.170 10.321 4.945 1.00 0.00 N ATOM 1759 CA MET A 113 2.011 9.945 3.544 1.00 0.00 C ATOM 1760 C MET A 113 0.636 10.351 3.021 1.00 0.00 C ATOM 1761 O MET A 113 -0.282 10.618 3.797 1.00 0.00 O ATOM 1762 CB MET A 113 2.187 8.434 3.387 1.00 0.00 C ATOM 1763 CG MET A 113 3.640 8.057 3.684 1.00 0.00 C ATOM 1764 SD MET A 113 3.859 6.275 3.452 1.00 0.00 S ATOM 1765 CE MET A 113 2.908 5.740 4.895 1.00 0.00 C ATOM 0 H MET A 113 1.443 9.968 5.567 1.00 0.00 H new ATOM 0 HA MET A 113 2.773 10.467 2.965 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.517 7.906 4.066 1.00 0.00 H new ATOM 0 HB3 MET A 113 1.920 8.129 2.375 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.312 8.606 3.024 1.00 0.00 H new ATOM 0 HG3 MET A 113 3.898 8.336 4.706 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.384 4.867 5.341 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.872 6.547 5.626 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.894 5.483 4.588 1.00 0.00 H new ATOM 1775 N ASP A 114 0.506 10.392 1.698 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.757 10.763 1.071 1.00 0.00 C ATOM 1777 C ASP A 114 -0.815 10.231 -0.358 1.00 0.00 C ATOM 1778 O ASP A 114 0.178 9.721 -0.880 1.00 0.00 O ATOM 1779 CB ASP A 114 -0.910 12.285 1.059 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.365 12.662 0.803 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.178 11.759 0.689 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.645 13.846 0.725 1.00 0.00 O ATOM 0 H ASP A 114 1.257 10.174 1.043 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.572 10.324 1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.581 12.699 2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.273 12.717 0.287 1.00 0.00 H new ATOM 1787 N ALA A 115 -1.980 10.348 -0.986 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.146 9.876 -2.357 1.00 0.00 C ATOM 1789 C ALA A 115 -2.738 10.972 -3.237 1.00 0.00 C ATOM 1790 O ALA A 115 -3.956 11.072 -3.386 1.00 0.00 O ATOM 1791 CB ALA A 115 -3.062 8.651 -2.381 1.00 0.00 C ATOM 0 H ALA A 115 -2.816 10.761 -0.573 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.165 9.605 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.180 8.305 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.622 7.856 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.037 8.918 -1.973 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.867 11.789 -3.819 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.313 12.882 -4.676 1.00 0.00 C ATOM 1799 C LEU A 116 -2.503 12.394 -6.109 1.00 0.00 C ATOM 1800 O LEU A 116 -1.992 11.342 -6.491 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.288 14.016 -4.650 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.795 14.224 -3.216 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.274 15.318 -3.193 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -1.971 14.643 -2.330 1.00 0.00 C ATOM 0 H LEU A 116 -0.855 11.717 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.268 13.249 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.449 13.777 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.736 14.935 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.368 13.294 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.623 15.464 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.112 15.021 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.150 16.249 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.622 14.792 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.397 15.573 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.733 13.863 -2.343 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.230 13.138 -6.897 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.487 12.792 -8.326 1.00 0.00 C ATOM 1818 C PRO A 117 -2.241 12.959 -9.192 1.00 0.00 C ATOM 1819 O PRO A 117 -1.361 13.762 -8.882 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.582 13.775 -8.752 1.00 0.00 C ATOM 1821 CG PRO A 117 -5.068 14.406 -7.489 1.00 0.00 C ATOM 1822 CD PRO A 117 -3.887 14.412 -6.520 1.00 0.00 C ATOM 0 HA PRO A 117 -3.778 11.748 -8.445 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.190 14.525 -9.439 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.391 13.260 -9.270 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.422 15.420 -7.674 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.906 13.846 -7.074 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.236 15.274 -6.664 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.205 14.423 -5.477 1.00 0.00 H new ATOM 1830 N LEU A 118 -2.173 12.195 -10.278 1.00 0.00 N ATOM 1831 CA LEU A 118 -1.031 12.271 -11.180 1.00 0.00 C ATOM 1832 C LEU A 118 -1.160 13.476 -12.105 1.00 0.00 C ATOM 1833 O LEU A 118 -2.012 13.501 -12.994 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.938 10.993 -12.017 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.796 9.784 -11.093 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -1.270 8.527 -11.823 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.672 9.616 -10.695 1.00 0.00 C ATOM 0 H LEU A 118 -2.889 11.522 -10.552 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.127 12.379 -10.581 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.828 10.887 -12.637 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.084 11.050 -12.692 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.401 9.937 -10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.169 7.664 -11.165 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.315 8.645 -12.109 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.664 8.375 -12.716 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.774 8.754 -10.036 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.276 9.463 -11.589 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.013 10.512 -10.176 1.00 0.00 H new ATOM 1849 N SER A 119 -0.311 14.474 -11.890 1.00 0.00 N ATOM 1850 CA SER A 119 -0.342 15.681 -12.708 1.00 0.00 C ATOM 1851 C SER A 119 0.254 15.409 -14.085 1.00 0.00 C ATOM 1852 O SER A 119 0.740 14.310 -14.355 1.00 0.00 O ATOM 1853 CB SER A 119 0.446 16.796 -12.021 1.00 0.00 C ATOM 1854 OG SER A 119 -0.184 17.127 -10.791 1.00 0.00 O ATOM 0 H SER A 119 0.403 14.472 -11.161 1.00 0.00 H new ATOM 0 HA SER A 119 -1.380 15.990 -12.828 1.00 0.00 H new ATOM 0 HB2 SER A 119 1.472 16.475 -11.842 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.494 17.673 -12.666 1.00 0.00 H new ATOM 0 HG SER A 119 0.320 17.841 -10.347 1.00 0.00 H new ATOM 1860 N GLU A 120 0.214 16.415 -14.951 1.00 0.00 N ATOM 1861 CA GLU A 120 0.753 16.272 -16.298 1.00 0.00 C ATOM 1862 C GLU A 120 2.207 15.814 -16.243 1.00 0.00 C ATOM 1863 O GLU A 120 2.683 15.116 -17.139 1.00 0.00 O ATOM 1864 CB GLU A 120 0.664 17.606 -17.042 1.00 0.00 C ATOM 1865 CG GLU A 120 1.642 18.605 -16.422 1.00 0.00 C ATOM 1866 CD GLU A 120 3.031 18.414 -17.022 1.00 0.00 C ATOM 1867 OE1 GLU A 120 3.111 18.160 -18.213 1.00 0.00 O ATOM 1868 OE2 GLU A 120 3.995 18.526 -16.284 1.00 0.00 O ATOM 0 H GLU A 120 -0.183 17.332 -14.747 1.00 0.00 H new ATOM 0 HA GLU A 120 0.165 15.523 -16.828 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.896 17.462 -18.097 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.352 17.996 -16.989 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.297 19.623 -16.600 1.00 0.00 H new ATOM 0 HG3 GLU A 120 1.681 18.466 -15.342 1.00 0.00 H new ATOM 1875 N GLU A 121 2.907 16.211 -15.185 1.00 0.00 N ATOM 1876 CA GLU A 121 4.307 15.834 -15.022 1.00 0.00 C ATOM 1877 C GLU A 121 4.465 14.320 -15.099 1.00 0.00 C ATOM 1878 O GLU A 121 5.436 13.815 -15.661 1.00 0.00 O ATOM 1879 CB GLU A 121 4.831 16.338 -13.677 1.00 0.00 C ATOM 1880 CG GLU A 121 6.349 16.156 -13.619 1.00 0.00 C ATOM 1881 CD GLU A 121 7.027 17.115 -14.591 1.00 0.00 C ATOM 1882 OE1 GLU A 121 6.427 18.130 -14.906 1.00 0.00 O ATOM 1883 OE2 GLU A 121 8.136 16.821 -15.005 1.00 0.00 O ATOM 0 H GLU A 121 2.532 16.789 -14.433 1.00 0.00 H new ATOM 0 HA GLU A 121 4.883 16.289 -15.828 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.575 17.389 -13.546 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.357 15.791 -12.862 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.707 16.339 -12.606 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.610 15.128 -13.869 1.00 0.00 H new ATOM 1890 N TYR A 122 3.503 13.600 -14.530 1.00 0.00 N ATOM 1891 CA TYR A 122 3.545 12.142 -14.544 1.00 0.00 C ATOM 1892 C TYR A 122 3.496 11.622 -15.977 1.00 0.00 C ATOM 1893 O TYR A 122 4.233 10.705 -16.340 1.00 0.00 O ATOM 1894 CB TYR A 122 2.365 11.576 -13.753 1.00 0.00 C ATOM 1895 CG TYR A 122 2.182 10.117 -14.099 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.151 9.182 -13.719 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.057 9.705 -14.824 1.00 0.00 C ATOM 1898 CE1 TYR A 122 2.996 7.833 -14.062 1.00 0.00 C ATOM 1899 CE2 TYR A 122 0.898 8.356 -15.162 1.00 0.00 C ATOM 1900 CZ TYR A 122 1.868 7.420 -14.781 1.00 0.00 C ATOM 1901 OH TYR A 122 1.711 6.090 -15.115 1.00 0.00 O ATOM 0 H TYR A 122 2.692 13.998 -14.057 1.00 0.00 H new ATOM 0 HA TYR A 122 4.478 11.819 -14.082 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.543 11.688 -12.683 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.457 12.133 -13.985 1.00 0.00 H new ATOM 0 HD1 TYR A 122 4.019 9.501 -13.161 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.312 10.428 -15.122 1.00 0.00 H new ATOM 0 HE1 TYR A 122 3.746 7.112 -13.772 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.028 8.037 -15.716 1.00 0.00 H new ATOM 0 HH TYR A 122 0.875 5.974 -15.612 1.00 0.00 H new ATOM 1911 N ARG A 123 2.626 12.217 -16.786 1.00 0.00 N ATOM 1912 CA ARG A 123 2.487 11.803 -18.178 1.00 0.00 C ATOM 1913 C ARG A 123 3.823 11.918 -18.904 1.00 0.00 C ATOM 1914 O ARG A 123 4.183 11.053 -19.704 1.00 0.00 O ATOM 1915 CB ARG A 123 1.446 12.675 -18.882 1.00 0.00 C ATOM 1916 CG ARG A 123 0.093 12.519 -18.186 1.00 0.00 C ATOM 1917 CD ARG A 123 -0.985 13.239 -18.996 1.00 0.00 C ATOM 1918 NE ARG A 123 -2.233 13.287 -18.245 1.00 0.00 N ATOM 1919 CZ ARG A 123 -3.302 13.915 -18.725 1.00 0.00 C ATOM 1920 NH1 ARG A 123 -3.245 14.502 -19.890 1.00 0.00 N ATOM 1921 NH2 ARG A 123 -4.408 13.944 -18.034 1.00 0.00 N ATOM 0 H ARG A 123 2.011 12.981 -16.505 1.00 0.00 H new ATOM 0 HA ARG A 123 2.161 10.763 -18.198 1.00 0.00 H new ATOM 0 HB2 ARG A 123 1.758 13.719 -18.863 1.00 0.00 H new ATOM 0 HB3 ARG A 123 1.363 12.386 -19.930 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.157 11.463 -18.087 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.141 12.931 -17.178 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.656 14.251 -19.234 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.142 12.724 -19.944 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.287 12.830 -17.334 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.381 14.479 -20.431 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -4.065 14.984 -20.259 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -4.453 13.485 -17.124 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -5.228 14.426 -18.403 1.00 0.00 H new ATOM 1935 N GLN A 124 4.553 12.991 -18.620 1.00 0.00 N ATOM 1936 CA GLN A 124 5.856 13.204 -19.241 1.00 0.00 C ATOM 1937 C GLN A 124 6.869 12.191 -18.719 1.00 0.00 C ATOM 1938 O GLN A 124 7.735 11.725 -19.460 1.00 0.00 O ATOM 1939 CB GLN A 124 6.350 14.621 -18.945 1.00 0.00 C ATOM 1940 CG GLN A 124 7.626 14.894 -19.744 1.00 0.00 C ATOM 1941 CD GLN A 124 8.107 16.317 -19.485 1.00 0.00 C ATOM 1942 OE1 GLN A 124 7.416 17.098 -18.833 1.00 0.00 O ATOM 1943 NE2 GLN A 124 9.260 16.702 -19.961 1.00 0.00 N ATOM 0 H GLN A 124 4.268 13.722 -17.969 1.00 0.00 H new ATOM 0 HA GLN A 124 5.750 13.074 -20.318 1.00 0.00 H new ATOM 0 HB2 GLN A 124 5.581 15.348 -19.208 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.545 14.734 -17.879 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.401 14.182 -19.462 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.436 14.753 -20.808 1.00 0.00 H new ATOM 0 HE21 GLN A 124 9.831 16.052 -20.501 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.590 17.652 -19.792 1.00 0.00 H new ATOM 1952 N HIS A 125 6.756 11.854 -17.438 1.00 0.00 N ATOM 1953 CA HIS A 125 7.668 10.894 -16.828 1.00 0.00 C ATOM 1954 C HIS A 125 7.595 9.554 -17.553 1.00 0.00 C ATOM 1955 O HIS A 125 8.449 8.688 -17.364 1.00 0.00 O ATOM 1956 CB HIS A 125 7.309 10.699 -15.354 1.00 0.00 C ATOM 1957 CG HIS A 125 8.001 9.471 -14.828 1.00 0.00 C ATOM 1958 ND1 HIS A 125 9.267 9.520 -14.266 1.00 0.00 N ATOM 1959 CD2 HIS A 125 7.609 8.157 -14.757 1.00 0.00 C ATOM 1960 CE1 HIS A 125 9.588 8.271 -13.882 1.00 0.00 C ATOM 1961 NE2 HIS A 125 8.613 7.401 -14.159 1.00 0.00 N ATOM 0 H HIS A 125 6.048 12.228 -16.807 1.00 0.00 H new ATOM 0 HA HIS A 125 8.683 11.283 -16.906 1.00 0.00 H new ATOM 0 HB2 HIS A 125 7.609 11.574 -14.777 1.00 0.00 H new ATOM 0 HB3 HIS A 125 6.230 10.597 -15.242 1.00 0.00 H new ATOM 0 HD1 HIS A 125 9.849 10.351 -14.162 1.00 0.00 H new ATOM 0 HD2 HIS A 125 6.665 7.769 -15.111 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.521 8.004 -13.407 1.00 0.00 H new ATOM 1970 N GLN A 126 6.570 9.391 -18.382 1.00 0.00 N ATOM 1971 CA GLN A 126 6.397 8.154 -19.133 1.00 0.00 C ATOM 1972 C GLN A 126 7.250 8.171 -20.397 1.00 0.00 C ATOM 1973 O GLN A 126 7.509 7.127 -20.997 1.00 0.00 O ATOM 1974 CB GLN A 126 4.924 7.975 -19.510 1.00 0.00 C ATOM 1975 CG GLN A 126 4.076 7.907 -18.239 1.00 0.00 C ATOM 1976 CD GLN A 126 2.595 7.871 -18.603 1.00 0.00 C ATOM 1977 OE1 GLN A 126 2.221 8.219 -19.723 1.00 0.00 O ATOM 1978 NE2 GLN A 126 1.724 7.468 -17.718 1.00 0.00 N ATOM 0 H GLN A 126 5.851 10.095 -18.550 1.00 0.00 H new ATOM 0 HA GLN A 126 6.715 7.321 -18.506 1.00 0.00 H new ATOM 0 HB2 GLN A 126 4.594 8.805 -20.136 1.00 0.00 H new ATOM 0 HB3 GLN A 126 4.795 7.064 -20.095 1.00 0.00 H new ATOM 0 HG2 GLN A 126 4.339 7.020 -17.663 1.00 0.00 H new ATOM 0 HG3 GLN A 126 4.283 8.771 -17.607 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.035 7.180 -16.790 1.00 0.00 H new ATOM 0 HE22 GLN A 126 0.732 7.441 -17.954 1.00 0.00 H new ATOM 1987 N ALA A 127 7.685 9.362 -20.795 1.00 0.00 N ATOM 1988 CA ALA A 127 8.498 9.504 -21.998 1.00 0.00 C ATOM 1989 C ALA A 127 9.845 8.812 -21.817 1.00 0.00 C ATOM 1990 O ALA A 127 10.289 8.059 -22.683 1.00 0.00 O ATOM 1991 CB ALA A 127 8.721 10.986 -22.306 1.00 0.00 C ATOM 0 H ALA A 127 7.490 10.236 -20.307 1.00 0.00 H new ATOM 0 HA ALA A 127 7.970 9.036 -22.829 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.329 11.083 -23.206 1.00 0.00 H new ATOM 0 HB2 ALA A 127 7.759 11.474 -22.464 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.234 11.458 -21.468 1.00 0.00 H new ATOM 1997 N GLU A 128 10.490 9.073 -20.684 1.00 0.00 N ATOM 1998 CA GLU A 128 11.792 8.478 -20.403 1.00 0.00 C ATOM 1999 C GLU A 128 11.680 6.959 -20.319 1.00 0.00 C ATOM 2000 O GLU A 128 12.584 6.236 -20.739 1.00 0.00 O ATOM 2001 CB GLU A 128 12.341 9.024 -19.084 1.00 0.00 C ATOM 2002 CG GLU A 128 11.558 8.422 -17.916 1.00 0.00 C ATOM 2003 CD GLU A 128 12.185 7.096 -17.497 1.00 0.00 C ATOM 2004 OE1 GLU A 128 13.092 6.650 -18.180 1.00 0.00 O ATOM 2005 OE2 GLU A 128 11.748 6.546 -16.499 1.00 0.00 O ATOM 0 H GLU A 128 10.136 9.688 -19.951 1.00 0.00 H new ATOM 0 HA GLU A 128 12.472 8.737 -21.215 1.00 0.00 H new ATOM 0 HB2 GLU A 128 13.399 8.780 -18.990 1.00 0.00 H new ATOM 0 HB3 GLU A 128 12.261 10.111 -19.067 1.00 0.00 H new ATOM 0 HG2 GLU A 128 11.555 9.114 -17.074 1.00 0.00 H new ATOM 0 HG3 GLU A 128 10.519 8.267 -18.205 1.00 0.00 H new ATOM 2012 N LYS A 129 10.565 6.482 -19.775 1.00 0.00 N ATOM 2013 CA LYS A 129 10.344 5.047 -19.643 1.00 0.00 C ATOM 2014 C LYS A 129 10.229 4.394 -21.017 1.00 0.00 C ATOM 2015 O LYS A 129 10.568 3.223 -21.190 1.00 0.00 O ATOM 2016 CB LYS A 129 9.067 4.785 -18.843 1.00 0.00 C ATOM 2017 CG LYS A 129 9.283 5.200 -17.386 1.00 0.00 C ATOM 2018 CD LYS A 129 7.983 5.004 -16.602 1.00 0.00 C ATOM 2019 CE LYS A 129 7.605 3.521 -16.602 1.00 0.00 C ATOM 2020 NZ LYS A 129 6.773 3.222 -17.803 1.00 0.00 N ATOM 0 H LYS A 129 9.806 7.064 -19.421 1.00 0.00 H new ATOM 0 HA LYS A 129 11.196 4.615 -19.118 1.00 0.00 H new ATOM 0 HB2 LYS A 129 8.235 5.344 -19.272 1.00 0.00 H new ATOM 0 HB3 LYS A 129 8.802 3.729 -18.896 1.00 0.00 H new ATOM 0 HG2 LYS A 129 10.081 4.605 -16.942 1.00 0.00 H new ATOM 0 HG3 LYS A 129 9.597 6.243 -17.336 1.00 0.00 H new ATOM 0 HD2 LYS A 129 8.106 5.359 -15.579 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.183 5.594 -17.050 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.504 2.905 -16.606 1.00 0.00 H new ATOM 0 HE3 LYS A 129 7.054 3.275 -15.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 5.871 2.799 -17.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 6.587 4.102 -18.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.280 2.555 -18.419 1.00 0.00 H new ATOM 2034 N ASP A 130 9.748 5.159 -21.992 1.00 0.00 N ATOM 2035 CA ASP A 130 9.591 4.646 -23.348 1.00 0.00 C ATOM 2036 C ASP A 130 9.928 5.724 -24.372 1.00 0.00 C ATOM 2037 O ASP A 130 11.023 5.739 -24.935 1.00 0.00 O ATOM 2038 CB ASP A 130 8.155 4.167 -23.561 1.00 0.00 C ATOM 2039 CG ASP A 130 8.012 3.546 -24.947 1.00 0.00 C ATOM 2040 OD1 ASP A 130 9.013 3.453 -25.638 1.00 0.00 O ATOM 2041 OD2 ASP A 130 6.905 3.172 -25.297 1.00 0.00 O ATOM 0 H ASP A 130 9.462 6.130 -21.870 1.00 0.00 H new ATOM 0 HA ASP A 130 10.276 3.809 -23.481 1.00 0.00 H new ATOM 0 HB2 ASP A 130 7.890 3.436 -22.797 1.00 0.00 H new ATOM 0 HB3 ASP A 130 7.464 5.004 -23.455 1.00 0.00 H new ATOM 2046 N LYS A 131 8.981 6.625 -24.610 1.00 0.00 N ATOM 2047 CA LYS A 131 9.188 7.702 -25.570 1.00 0.00 C ATOM 2048 C LYS A 131 8.054 8.718 -25.489 1.00 0.00 C ATOM 2049 O LYS A 131 6.913 8.296 -25.391 1.00 0.00 O ATOM 2050 CB LYS A 131 9.265 7.132 -26.988 1.00 0.00 C ATOM 2051 CG LYS A 131 9.679 8.237 -27.961 1.00 0.00 C ATOM 2052 CD LYS A 131 9.699 7.681 -29.386 1.00 0.00 C ATOM 2053 CE LYS A 131 10.285 8.728 -30.335 1.00 0.00 C ATOM 2054 NZ LYS A 131 11.644 9.118 -29.866 1.00 0.00 N ATOM 2055 OXT LYS A 131 8.341 9.904 -25.526 1.00 0.00 O ATOM 0 H LYS A 131 8.068 6.631 -24.155 1.00 0.00 H new ATOM 0 HA LYS A 131 10.126 8.202 -25.329 1.00 0.00 H new ATOM 0 HB2 LYS A 131 9.984 6.313 -27.024 1.00 0.00 H new ATOM 0 HB3 LYS A 131 8.299 6.720 -27.279 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.983 9.073 -27.895 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.664 8.620 -27.695 1.00 0.00 H new ATOM 0 HD2 LYS A 131 10.293 6.768 -29.423 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.689 7.416 -29.699 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.339 8.327 -31.347 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.637 9.603 -30.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 12.196 9.486 -30.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.561 9.854 -29.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 12.125 8.287 -29.467 1.00 0.00 H new TER 2069 LYS A 131