USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 938 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 44 MET CE :methyl 144:sc= -2.3! (180deg=-4.83!) USER MOD Set 1.2: A 57 TYR OH : rot -1:sc= 0.517 USER MOD Set 2.1: A 35 GLN : amide:sc= 0 K(o=-2.7,f=-3.4) USER MOD Set 2.2: A 37 GLN : amide:sc= -2.7! C(o=-2.7!,f=-3!) USER MOD Set 3.1: A 16 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 32 THR OG1 : rot 1:sc= 0.771 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.073 (180deg=-0.23) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= -0.711 K(o=-0.71,f=-2.4!) USER MOD Single : A 6 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.13) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.39) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.0051) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -21:sc= 0.115 USER MOD Single : A 14 ASN : amide:sc=-0.00616 X(o=-0.0062,f=-0.11) USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= -0.14 (180deg=-0.697) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.16) USER MOD Single : A 31 ASN : amide:sc= 0.314 K(o=0.31,f=-0.81) USER MOD Single : A 33 SER OG : rot -124:sc= 0.307 USER MOD Single : A 39 MET CE :methyl 180:sc= -4.09! (180deg=-4.09!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 51:sc= -0.107 USER MOD Single : A 52 SER OG : rot 29:sc= 0.6 USER MOD Single : A 54 SER OG : rot -170:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 59 SER OG : rot -33:sc= 0.914 USER MOD Single : A 61 TYR OH : rot -27:sc= -0.817 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.922 K(o=-0.92,f=-0.089) USER MOD Single : A 68 THR OG1 : rot -160:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 44:sc= 0.739 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 89 LYS NZ :NH3+ -140:sc= -1.95! (180deg=-4.51!) USER MOD Single : A 90 ASN : amide:sc= -0.815 K(o=-0.82,f=-4.8!) USER MOD Single : A 91 GLN : amide:sc= -1.68! C(o=-1.7!,f=-11!) USER MOD Single : A 92 ASN : amide:sc= -0.761 K(o=-0.76,f=-0.17) USER MOD Single : A 93 SER OG : rot 102:sc= 0.897 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0681 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -145:sc= 0.162 (180deg=-2.79!) USER MOD Single : A 106 ASN : amide:sc= -0.783 K(o=-0.78,f=-0.13) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0.669 K(o=0.67,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 31:sc= 0.222 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.437 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -30:sc= 0.994 USER MOD Single : A 122 THR OG1 : rot 41:sc= 0.626 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -30.604 -22.593 -21.140 1.00 25.14 N ATOM 2 CA MET A 1 -31.404 -22.881 -19.916 1.00 71.12 C ATOM 3 C MET A 1 -30.703 -22.351 -18.658 1.00 2.21 C ATOM 4 O MET A 1 -29.604 -22.787 -18.310 1.00 40.54 O ATOM 5 CB MET A 1 -31.677 -24.390 -19.789 1.00 45.23 C ATOM 6 CG MET A 1 -30.437 -25.261 -19.931 1.00 12.04 C ATOM 7 SD MET A 1 -30.810 -27.022 -19.809 1.00 41.01 S ATOM 8 CE MET A 1 -29.197 -27.730 -20.138 1.00 4.23 C ATOM 0 H1 MET A 1 -31.031 -23.077 -21.955 1.00 25.14 H new ATOM 0 H2 MET A 1 -30.592 -21.568 -21.314 1.00 25.14 H new ATOM 0 H3 MET A 1 -29.630 -22.933 -21.006 1.00 25.14 H new ATOM 0 HA MET A 1 -32.359 -22.364 -20.011 1.00 71.12 H new ATOM 0 HB2 MET A 1 -32.135 -24.585 -18.819 1.00 45.23 H new ATOM 0 HB3 MET A 1 -32.402 -24.682 -20.549 1.00 45.23 H new ATOM 0 HG2 MET A 1 -29.964 -25.059 -20.892 1.00 12.04 H new ATOM 0 HG3 MET A 1 -29.717 -24.991 -19.158 1.00 12.04 H new ATOM 0 HE1 MET A 1 -29.262 -28.817 -20.098 1.00 4.23 H new ATOM 0 HE2 MET A 1 -28.860 -27.423 -21.128 1.00 4.23 H new ATOM 0 HE3 MET A 1 -28.487 -27.381 -19.388 1.00 4.23 H new ATOM 20 N GLY A 2 -31.347 -21.401 -17.984 1.00 54.31 N ATOM 21 CA GLY A 2 -30.757 -20.763 -16.809 1.00 44.54 C ATOM 22 C GLY A 2 -30.573 -19.262 -17.002 1.00 63.31 C ATOM 23 O GLY A 2 -29.786 -18.829 -17.849 1.00 1.23 O ATOM 0 H GLY A 2 -32.275 -21.056 -18.230 1.00 54.31 H new ATOM 0 HA2 GLY A 2 -31.394 -20.941 -15.942 1.00 44.54 H new ATOM 0 HA3 GLY A 2 -29.792 -21.221 -16.595 1.00 44.54 H new ATOM 27 N HIS A 3 -31.296 -18.463 -16.223 1.00 53.00 N ATOM 28 CA HIS A 3 -31.261 -17.003 -16.369 1.00 31.44 C ATOM 29 C HIS A 3 -30.212 -16.357 -15.453 1.00 22.23 C ATOM 30 O HIS A 3 -29.309 -15.660 -15.916 1.00 45.34 O ATOM 31 CB HIS A 3 -32.643 -16.412 -16.075 1.00 53.23 C ATOM 32 CG HIS A 3 -33.723 -16.967 -16.951 1.00 55.21 C ATOM 33 ND1 HIS A 3 -34.677 -17.854 -16.500 1.00 33.15 N ATOM 34 CD2 HIS A 3 -34.000 -16.757 -18.259 1.00 75.14 C ATOM 35 CE1 HIS A 3 -35.489 -18.165 -17.489 1.00 34.30 C ATOM 36 NE2 HIS A 3 -35.101 -17.514 -18.565 1.00 32.10 N ATOM 0 H HIS A 3 -31.914 -18.797 -15.484 1.00 53.00 H new ATOM 0 HA HIS A 3 -30.979 -16.785 -17.399 1.00 31.44 H new ATOM 0 HB2 HIS A 3 -32.897 -16.602 -15.032 1.00 53.23 H new ATOM 0 HB3 HIS A 3 -32.602 -15.330 -16.201 1.00 53.23 H new ATOM 0 HD2 HIS A 3 -33.456 -16.114 -18.935 1.00 75.14 H new ATOM 0 HE1 HIS A 3 -36.330 -18.840 -17.428 1.00 34.30 H new ATOM 0 HE2 HIS A 3 -35.548 -17.565 -19.480 1.00 32.10 H new ATOM 45 N HIS A 4 -30.332 -16.596 -14.150 1.00 41.14 N ATOM 46 CA HIS A 4 -29.440 -15.980 -13.162 1.00 72.23 C ATOM 47 C HIS A 4 -28.379 -16.977 -12.676 1.00 41.33 C ATOM 48 O HIS A 4 -28.697 -17.950 -11.991 1.00 14.00 O ATOM 49 CB HIS A 4 -30.256 -15.458 -11.971 1.00 24.01 C ATOM 50 CG HIS A 4 -31.436 -14.629 -12.377 1.00 11.11 C ATOM 51 ND1 HIS A 4 -31.323 -13.438 -13.056 1.00 65.14 N ATOM 52 CD2 HIS A 4 -32.765 -14.840 -12.217 1.00 31.42 C ATOM 53 CE1 HIS A 4 -32.524 -12.953 -13.299 1.00 62.44 C ATOM 54 NE2 HIS A 4 -33.415 -13.783 -12.801 1.00 70.44 N ATOM 0 H HIS A 4 -31.039 -17.213 -13.749 1.00 41.14 H new ATOM 0 HA HIS A 4 -28.927 -15.146 -13.641 1.00 72.23 H new ATOM 0 HB2 HIS A 4 -30.603 -16.305 -11.378 1.00 24.01 H new ATOM 0 HB3 HIS A 4 -29.607 -14.863 -11.328 1.00 24.01 H new ATOM 0 HD2 HIS A 4 -33.226 -15.682 -11.722 1.00 31.42 H new ATOM 0 HE1 HIS A 4 -32.740 -12.031 -13.819 1.00 62.44 H new ATOM 0 HE2 HIS A 4 -34.427 -13.660 -12.843 1.00 70.44 H new ATOM 63 N HIS A 5 -27.123 -16.742 -13.048 1.00 60.12 N ATOM 64 CA HIS A 5 -26.013 -17.601 -12.615 1.00 30.51 C ATOM 65 C HIS A 5 -24.703 -16.810 -12.464 1.00 0.34 C ATOM 66 O HIS A 5 -23.910 -16.702 -13.400 1.00 51.45 O ATOM 67 CB HIS A 5 -25.832 -18.780 -13.588 1.00 71.25 C ATOM 68 CG HIS A 5 -25.741 -18.380 -15.034 1.00 0.33 C ATOM 69 ND1 HIS A 5 -24.576 -17.942 -15.627 1.00 33.10 N ATOM 70 CD2 HIS A 5 -26.680 -18.366 -16.014 1.00 1.41 C ATOM 71 CE1 HIS A 5 -24.801 -17.676 -16.898 1.00 15.52 C ATOM 72 NE2 HIS A 5 -26.067 -17.925 -17.159 1.00 35.24 N ATOM 0 H HIS A 5 -26.844 -15.966 -13.648 1.00 60.12 H new ATOM 0 HA HIS A 5 -26.267 -17.997 -11.632 1.00 30.51 H new ATOM 0 HB2 HIS A 5 -24.928 -19.325 -13.316 1.00 71.25 H new ATOM 0 HB3 HIS A 5 -26.668 -19.469 -13.466 1.00 71.25 H new ATOM 0 HD1 HIS A 5 -23.678 -17.840 -15.155 1.00 33.10 H new ATOM 0 HD2 HIS A 5 -27.717 -18.649 -15.911 1.00 1.41 H new ATOM 0 HE1 HIS A 5 -24.070 -17.315 -17.606 1.00 15.52 H new ATOM 81 N HIS A 6 -24.499 -16.230 -11.284 1.00 73.25 N ATOM 82 CA HIS A 6 -23.266 -15.498 -10.971 1.00 70.30 C ATOM 83 C HIS A 6 -22.907 -15.637 -9.486 1.00 61.12 C ATOM 84 O HIS A 6 -23.788 -15.698 -8.625 1.00 54.02 O ATOM 85 CB HIS A 6 -23.397 -14.007 -11.332 1.00 4.11 C ATOM 86 CG HIS A 6 -23.503 -13.737 -12.806 1.00 64.44 C ATOM 87 ND1 HIS A 6 -24.623 -13.186 -13.392 1.00 5.53 N ATOM 88 CD2 HIS A 6 -22.617 -13.935 -13.813 1.00 70.24 C ATOM 89 CE1 HIS A 6 -24.424 -13.057 -14.689 1.00 2.35 C ATOM 90 NE2 HIS A 6 -23.218 -13.503 -14.969 1.00 43.24 N ATOM 0 H HIS A 6 -25.175 -16.251 -10.521 1.00 73.25 H new ATOM 0 HA HIS A 6 -22.468 -15.935 -11.571 1.00 70.30 H new ATOM 0 HB2 HIS A 6 -24.278 -13.601 -10.835 1.00 4.11 H new ATOM 0 HB3 HIS A 6 -22.533 -13.472 -10.937 1.00 4.11 H new ATOM 0 HD2 HIS A 6 -21.626 -14.354 -13.723 1.00 70.24 H new ATOM 0 HE1 HIS A 6 -25.130 -12.654 -15.400 1.00 2.35 H new ATOM 0 HE2 HIS A 6 -22.797 -13.524 -15.898 1.00 43.24 H new ATOM 99 N HIS A 7 -21.615 -15.697 -9.190 1.00 13.24 N ATOM 100 CA HIS A 7 -21.148 -15.762 -7.805 1.00 41.43 C ATOM 101 C HIS A 7 -21.145 -14.360 -7.180 1.00 63.50 C ATOM 102 O HIS A 7 -20.210 -13.581 -7.360 1.00 74.30 O ATOM 103 CB HIS A 7 -19.755 -16.396 -7.742 1.00 33.24 C ATOM 104 CG HIS A 7 -19.717 -17.780 -8.316 1.00 3.24 C ATOM 105 ND1 HIS A 7 -19.080 -18.088 -9.498 1.00 34.21 N ATOM 106 CD2 HIS A 7 -20.253 -18.942 -7.871 1.00 23.23 C ATOM 107 CE1 HIS A 7 -19.225 -19.372 -9.753 1.00 50.11 C ATOM 108 NE2 HIS A 7 -19.931 -19.914 -8.784 1.00 11.45 N ATOM 0 H HIS A 7 -20.870 -15.702 -9.887 1.00 13.24 H new ATOM 0 HA HIS A 7 -21.830 -16.389 -7.231 1.00 41.43 H new ATOM 0 HB2 HIS A 7 -19.049 -15.765 -8.282 1.00 33.24 H new ATOM 0 HB3 HIS A 7 -19.423 -16.429 -6.704 1.00 33.24 H new ATOM 0 HD2 HIS A 7 -20.827 -19.078 -6.966 1.00 23.23 H new ATOM 0 HE1 HIS A 7 -18.831 -19.893 -10.613 1.00 50.11 H new ATOM 0 HE2 HIS A 7 -20.196 -20.897 -8.722 1.00 11.45 H new ATOM 117 N HIS A 8 -22.210 -14.050 -6.448 1.00 55.13 N ATOM 118 CA HIS A 8 -22.449 -12.692 -5.939 1.00 22.33 C ATOM 119 C HIS A 8 -21.769 -12.422 -4.584 1.00 31.41 C ATOM 120 O HIS A 8 -22.024 -11.396 -3.957 1.00 71.11 O ATOM 121 CB HIS A 8 -23.963 -12.444 -5.834 1.00 14.11 C ATOM 122 CG HIS A 8 -24.692 -13.480 -5.031 1.00 23.10 C ATOM 123 ND1 HIS A 8 -25.367 -14.537 -5.606 1.00 40.23 N ATOM 124 CD2 HIS A 8 -24.857 -13.619 -3.693 1.00 30.24 C ATOM 125 CE1 HIS A 8 -25.908 -15.280 -4.661 1.00 34.04 C ATOM 126 NE2 HIS A 8 -25.616 -14.746 -3.496 1.00 22.44 N ATOM 0 H HIS A 8 -22.931 -14.723 -6.189 1.00 55.13 H new ATOM 0 HA HIS A 8 -22.000 -11.998 -6.650 1.00 22.33 H new ATOM 0 HB2 HIS A 8 -24.131 -11.465 -5.385 1.00 14.11 H new ATOM 0 HB3 HIS A 8 -24.387 -12.411 -6.838 1.00 14.11 H new ATOM 0 HD2 HIS A 8 -24.465 -12.967 -2.927 1.00 30.24 H new ATOM 0 HE1 HIS A 8 -26.492 -16.175 -4.817 1.00 34.04 H new ATOM 0 HE2 HIS A 8 -25.907 -15.111 -2.589 1.00 22.44 H new ATOM 135 N SER A 9 -20.908 -13.336 -4.136 1.00 3.01 N ATOM 136 CA SER A 9 -20.154 -13.135 -2.883 1.00 63.24 C ATOM 137 C SER A 9 -19.221 -11.920 -2.991 1.00 21.44 C ATOM 138 O SER A 9 -18.414 -11.822 -3.921 1.00 42.45 O ATOM 139 CB SER A 9 -19.331 -14.382 -2.524 1.00 0.32 C ATOM 140 OG SER A 9 -18.602 -14.191 -1.318 1.00 25.01 O ATOM 0 H SER A 9 -20.711 -14.217 -4.611 1.00 3.01 H new ATOM 0 HA SER A 9 -20.883 -12.955 -2.093 1.00 63.24 H new ATOM 0 HB2 SER A 9 -19.995 -15.240 -2.418 1.00 0.32 H new ATOM 0 HB3 SER A 9 -18.641 -14.611 -3.336 1.00 0.32 H new ATOM 0 HG SER A 9 -18.089 -15.001 -1.114 1.00 25.01 H new ATOM 146 N HIS A 10 -19.342 -10.990 -2.047 1.00 61.24 N ATOM 147 CA HIS A 10 -18.541 -9.759 -2.062 1.00 32.04 C ATOM 148 C HIS A 10 -17.371 -9.831 -1.071 1.00 71.21 C ATOM 149 O HIS A 10 -17.539 -10.241 0.080 1.00 53.42 O ATOM 150 CB HIS A 10 -19.420 -8.544 -1.742 1.00 4.41 C ATOM 151 CG HIS A 10 -20.528 -8.330 -2.731 1.00 14.22 C ATOM 152 ND1 HIS A 10 -20.369 -7.625 -3.904 1.00 73.44 N ATOM 153 CD2 HIS A 10 -21.815 -8.745 -2.720 1.00 51.22 C ATOM 154 CE1 HIS A 10 -21.504 -7.615 -4.569 1.00 1.11 C ATOM 155 NE2 HIS A 10 -22.400 -8.288 -3.876 1.00 54.11 N ATOM 0 H HIS A 10 -19.986 -11.061 -1.260 1.00 61.24 H new ATOM 0 HA HIS A 10 -18.128 -9.651 -3.065 1.00 32.04 H new ATOM 0 HB2 HIS A 10 -19.850 -8.668 -0.748 1.00 4.41 H new ATOM 0 HB3 HIS A 10 -18.795 -7.652 -1.710 1.00 4.41 H new ATOM 0 HD2 HIS A 10 -22.294 -9.327 -1.947 1.00 51.22 H new ATOM 0 HE1 HIS A 10 -21.673 -7.136 -5.522 1.00 1.11 H new ATOM 0 HE2 HIS A 10 -23.369 -8.444 -4.153 1.00 54.11 H new ATOM 164 N MET A 11 -16.183 -9.438 -1.526 1.00 64.24 N ATOM 165 CA MET A 11 -14.999 -9.396 -0.661 1.00 34.04 C ATOM 166 C MET A 11 -15.116 -8.258 0.368 1.00 10.51 C ATOM 167 O MET A 11 -15.121 -7.080 0.009 1.00 62.12 O ATOM 168 CB MET A 11 -13.727 -9.241 -1.507 1.00 11.04 C ATOM 169 CG MET A 11 -13.555 -10.353 -2.534 1.00 62.15 C ATOM 170 SD MET A 11 -13.643 -11.994 -1.790 1.00 12.20 S ATOM 171 CE MET A 11 -13.545 -13.044 -3.240 1.00 53.21 C ATOM 0 H MET A 11 -16.012 -9.144 -2.487 1.00 64.24 H new ATOM 0 HA MET A 11 -14.936 -10.337 -0.114 1.00 34.04 H new ATOM 0 HB2 MET A 11 -13.754 -8.280 -2.021 1.00 11.04 H new ATOM 0 HB3 MET A 11 -12.859 -9.225 -0.848 1.00 11.04 H new ATOM 0 HG2 MET A 11 -14.327 -10.261 -3.298 1.00 62.15 H new ATOM 0 HG3 MET A 11 -12.595 -10.235 -3.036 1.00 62.15 H new ATOM 0 HE1 MET A 11 -13.587 -14.090 -2.936 1.00 53.21 H new ATOM 0 HE2 MET A 11 -14.381 -12.825 -3.905 1.00 53.21 H new ATOM 0 HE3 MET A 11 -12.607 -12.856 -3.763 1.00 53.21 H new ATOM 181 N THR A 12 -15.202 -8.621 1.648 1.00 71.43 N ATOM 182 CA THR A 12 -15.469 -7.652 2.726 1.00 43.15 C ATOM 183 C THR A 12 -14.340 -6.622 2.905 1.00 12.23 C ATOM 184 O THR A 12 -14.545 -5.578 3.522 1.00 71.33 O ATOM 185 CB THR A 12 -15.705 -8.367 4.081 1.00 15.13 C ATOM 186 OG1 THR A 12 -16.074 -7.418 5.099 1.00 53.43 O ATOM 187 CG2 THR A 12 -14.460 -9.128 4.530 1.00 63.01 C ATOM 0 H THR A 12 -15.091 -9.582 1.971 1.00 71.43 H new ATOM 0 HA THR A 12 -16.370 -7.121 2.420 1.00 43.15 H new ATOM 0 HB THR A 12 -16.518 -9.078 3.936 1.00 15.13 H new ATOM 0 HG1 THR A 12 -15.781 -6.522 4.832 1.00 53.43 H new ATOM 0 HG21 THR A 12 -14.657 -9.618 5.483 1.00 63.01 H new ATOM 0 HG22 THR A 12 -14.203 -9.878 3.782 1.00 63.01 H new ATOM 0 HG23 THR A 12 -13.630 -8.431 4.646 1.00 63.01 H new ATOM 195 N GLY A 13 -13.157 -6.919 2.366 1.00 54.43 N ATOM 196 CA GLY A 13 -12.002 -6.040 2.548 1.00 55.02 C ATOM 197 C GLY A 13 -11.180 -6.412 3.780 1.00 33.15 C ATOM 198 O GLY A 13 -11.476 -5.973 4.888 1.00 41.35 O ATOM 0 H GLY A 13 -12.974 -7.752 1.806 1.00 54.43 H new ATOM 0 HA2 GLY A 13 -11.368 -6.088 1.663 1.00 55.02 H new ATOM 0 HA3 GLY A 13 -12.344 -5.009 2.639 1.00 55.02 H new ATOM 202 N ASN A 14 -10.138 -7.219 3.585 1.00 3.04 N ATOM 203 CA ASN A 14 -9.365 -7.771 4.709 1.00 31.31 C ATOM 204 C ASN A 14 -7.907 -7.276 4.726 1.00 73.12 C ATOM 205 O ASN A 14 -7.090 -7.754 5.515 1.00 34.24 O ATOM 206 CB ASN A 14 -9.376 -9.298 4.626 1.00 1.35 C ATOM 207 CG ASN A 14 -10.774 -9.866 4.461 1.00 61.55 C ATOM 208 OD1 ASN A 14 -11.472 -10.133 5.430 1.00 65.53 O ATOM 209 ND2 ASN A 14 -11.192 -10.057 3.225 1.00 1.34 N ATOM 0 H ASN A 14 -9.806 -7.507 2.665 1.00 3.04 H new ATOM 0 HA ASN A 14 -9.837 -7.427 5.629 1.00 31.31 H new ATOM 0 HB2 ASN A 14 -8.758 -9.617 3.787 1.00 1.35 H new ATOM 0 HB3 ASN A 14 -8.925 -9.710 5.529 1.00 1.35 H new ATOM 0 HD21 ASN A 14 -12.123 -10.438 3.055 1.00 1.34 H new ATOM 0 HD22 ASN A 14 -10.585 -9.824 2.439 1.00 1.34 H new ATOM 216 N VAL A 15 -7.582 -6.318 3.865 1.00 72.32 N ATOM 217 CA VAL A 15 -6.197 -5.842 3.731 1.00 75.55 C ATOM 218 C VAL A 15 -5.975 -4.504 4.453 1.00 2.20 C ATOM 219 O VAL A 15 -6.742 -3.556 4.283 1.00 11.44 O ATOM 220 CB VAL A 15 -5.799 -5.694 2.240 1.00 2.42 C ATOM 221 CG1 VAL A 15 -4.339 -5.261 2.098 1.00 71.52 C ATOM 222 CG2 VAL A 15 -6.056 -7.000 1.489 1.00 62.41 C ATOM 0 H VAL A 15 -8.250 -5.854 3.249 1.00 72.32 H new ATOM 0 HA VAL A 15 -5.564 -6.595 4.200 1.00 75.55 H new ATOM 0 HB VAL A 15 -6.419 -4.914 1.798 1.00 2.42 H new ATOM 0 HG11 VAL A 15 -4.089 -5.166 1.041 1.00 71.52 H new ATOM 0 HG12 VAL A 15 -4.194 -4.301 2.593 1.00 71.52 H new ATOM 0 HG13 VAL A 15 -3.692 -6.008 2.558 1.00 71.52 H new ATOM 0 HG21 VAL A 15 -5.772 -6.881 0.444 1.00 62.41 H new ATOM 0 HG22 VAL A 15 -5.465 -7.799 1.937 1.00 62.41 H new ATOM 0 HG23 VAL A 15 -7.114 -7.253 1.551 1.00 62.41 H new ATOM 232 N CYS A 16 -4.918 -4.441 5.258 1.00 23.55 N ATOM 233 CA CYS A 16 -4.550 -3.214 5.979 1.00 32.40 C ATOM 234 C CYS A 16 -3.069 -2.877 5.753 1.00 5.34 C ATOM 235 O CYS A 16 -2.352 -3.617 5.080 1.00 12.21 O ATOM 236 CB CYS A 16 -4.829 -3.380 7.478 1.00 33.32 C ATOM 237 SG CYS A 16 -3.932 -4.748 8.256 1.00 14.34 S ATOM 0 H CYS A 16 -4.294 -5.229 5.432 1.00 23.55 H new ATOM 0 HA CYS A 16 -5.154 -2.393 5.593 1.00 32.40 H new ATOM 0 HB2 CYS A 16 -4.569 -2.453 7.989 1.00 33.32 H new ATOM 0 HB3 CYS A 16 -5.898 -3.534 7.622 1.00 33.32 H new ATOM 0 HG CYS A 16 -4.234 -4.802 9.519 1.00 14.34 H new ATOM 243 N ILE A 17 -2.607 -1.758 6.304 1.00 45.12 N ATOM 244 CA ILE A 17 -1.205 -1.351 6.155 1.00 42.10 C ATOM 245 C ILE A 17 -0.376 -1.803 7.367 1.00 51.14 C ATOM 246 O ILE A 17 -0.739 -1.522 8.508 1.00 24.33 O ATOM 247 CB ILE A 17 -1.078 0.186 5.997 1.00 61.43 C ATOM 248 CG1 ILE A 17 -1.949 0.685 4.831 1.00 45.44 C ATOM 249 CG2 ILE A 17 0.384 0.587 5.788 1.00 42.21 C ATOM 250 CD1 ILE A 17 -1.950 2.192 4.659 1.00 55.33 C ATOM 0 H ILE A 17 -3.177 -1.117 6.856 1.00 45.12 H new ATOM 0 HA ILE A 17 -0.823 -1.831 5.254 1.00 42.10 H new ATOM 0 HB ILE A 17 -1.434 0.655 6.914 1.00 61.43 H new ATOM 0 HG12 ILE A 17 -1.599 0.225 3.907 1.00 45.44 H new ATOM 0 HG13 ILE A 17 -2.974 0.347 4.987 1.00 45.44 H new ATOM 0 HG21 ILE A 17 0.452 1.669 5.679 1.00 42.21 H new ATOM 0 HG22 ILE A 17 0.975 0.271 6.648 1.00 42.21 H new ATOM 0 HG23 ILE A 17 0.768 0.107 4.888 1.00 42.21 H new ATOM 0 HD11 ILE A 17 -2.587 2.462 3.817 1.00 55.33 H new ATOM 0 HD12 ILE A 17 -2.330 2.662 5.566 1.00 55.33 H new ATOM 0 HD13 ILE A 17 -0.934 2.537 4.470 1.00 55.33 H new ATOM 262 N GLU A 18 0.733 -2.500 7.117 1.00 25.32 N ATOM 263 CA GLU A 18 1.590 -2.995 8.203 1.00 60.44 C ATOM 264 C GLU A 18 2.830 -2.114 8.417 1.00 61.52 C ATOM 265 O GLU A 18 3.118 -1.695 9.540 1.00 10.41 O ATOM 266 CB GLU A 18 2.041 -4.437 7.926 1.00 50.44 C ATOM 267 CG GLU A 18 3.027 -4.964 8.968 1.00 42.54 C ATOM 268 CD GLU A 18 3.539 -6.364 8.675 1.00 44.42 C ATOM 269 OE1 GLU A 18 4.049 -6.594 7.561 1.00 53.45 O ATOM 270 OE2 GLU A 18 3.459 -7.232 9.570 1.00 50.22 O ATOM 0 H GLU A 18 1.060 -2.735 6.180 1.00 25.32 H new ATOM 0 HA GLU A 18 0.988 -2.962 9.111 1.00 60.44 H new ATOM 0 HB2 GLU A 18 1.166 -5.087 7.900 1.00 50.44 H new ATOM 0 HB3 GLU A 18 2.503 -4.484 6.940 1.00 50.44 H new ATOM 0 HG2 GLU A 18 3.875 -4.282 9.029 1.00 42.54 H new ATOM 0 HG3 GLU A 18 2.545 -4.961 9.945 1.00 42.54 H new ATOM 277 N GLU A 19 3.571 -1.840 7.343 1.00 71.21 N ATOM 278 CA GLU A 19 4.863 -1.146 7.461 1.00 71.21 C ATOM 279 C GLU A 19 5.158 -0.262 6.237 1.00 31.03 C ATOM 280 O GLU A 19 4.905 -0.651 5.096 1.00 2.00 O ATOM 281 CB GLU A 19 5.969 -2.195 7.649 1.00 21.51 C ATOM 282 CG GLU A 19 7.365 -1.627 7.888 1.00 25.33 C ATOM 283 CD GLU A 19 8.392 -2.722 8.158 1.00 65.44 C ATOM 284 OE1 GLU A 19 8.512 -3.160 9.323 1.00 34.11 O ATOM 285 OE2 GLU A 19 9.065 -3.166 7.207 1.00 14.14 O ATOM 0 H GLU A 19 3.306 -2.083 6.388 1.00 71.21 H new ATOM 0 HA GLU A 19 4.824 -0.481 8.324 1.00 71.21 H new ATOM 0 HB2 GLU A 19 5.704 -2.833 8.492 1.00 21.51 H new ATOM 0 HB3 GLU A 19 5.999 -2.831 6.765 1.00 21.51 H new ATOM 0 HG2 GLU A 19 7.674 -1.048 7.018 1.00 25.33 H new ATOM 0 HG3 GLU A 19 7.337 -0.941 8.734 1.00 25.33 H new ATOM 292 N ILE A 20 5.683 0.940 6.489 1.00 24.11 N ATOM 293 CA ILE A 20 6.040 1.889 5.420 1.00 35.13 C ATOM 294 C ILE A 20 7.448 2.475 5.647 1.00 34.34 C ATOM 295 O ILE A 20 7.825 2.783 6.782 1.00 24.14 O ATOM 296 CB ILE A 20 5.021 3.062 5.341 1.00 21.21 C ATOM 297 CG1 ILE A 20 3.580 2.536 5.218 1.00 25.41 C ATOM 298 CG2 ILE A 20 5.351 3.992 4.170 1.00 70.10 C ATOM 299 CD1 ILE A 20 2.528 3.628 5.193 1.00 2.11 C ATOM 0 H ILE A 20 5.873 1.285 7.430 1.00 24.11 H new ATOM 0 HA ILE A 20 6.022 1.331 4.484 1.00 35.13 H new ATOM 0 HB ILE A 20 5.098 3.632 6.267 1.00 21.21 H new ATOM 0 HG12 ILE A 20 3.496 1.943 4.307 1.00 25.41 H new ATOM 0 HG13 ILE A 20 3.375 1.867 6.054 1.00 25.41 H new ATOM 0 HG21 ILE A 20 4.625 4.804 4.135 1.00 70.10 H new ATOM 0 HG22 ILE A 20 6.351 4.404 4.304 1.00 70.10 H new ATOM 0 HG23 ILE A 20 5.312 3.430 3.237 1.00 70.10 H new ATOM 0 HD11 ILE A 20 1.539 3.178 5.105 1.00 2.11 H new ATOM 0 HD12 ILE A 20 2.582 4.207 6.115 1.00 2.11 H new ATOM 0 HD13 ILE A 20 2.705 4.285 4.341 1.00 2.11 H new ATOM 311 N ASP A 21 8.219 2.626 4.567 1.00 50.11 N ATOM 312 CA ASP A 21 9.544 3.252 4.641 1.00 63.33 C ATOM 313 C ASP A 21 9.435 4.785 4.534 1.00 22.12 C ATOM 314 O ASP A 21 8.840 5.316 3.593 1.00 45.12 O ATOM 315 CB ASP A 21 10.451 2.695 3.533 1.00 33.44 C ATOM 316 CG ASP A 21 11.801 3.390 3.477 1.00 21.14 C ATOM 317 OD1 ASP A 21 12.609 3.215 4.414 1.00 14.11 O ATOM 318 OD2 ASP A 21 12.057 4.113 2.496 1.00 14.52 O ATOM 0 H ASP A 21 7.950 2.324 3.631 1.00 50.11 H new ATOM 0 HA ASP A 21 9.985 3.015 5.609 1.00 63.33 H new ATOM 0 HB2 ASP A 21 10.603 1.628 3.695 1.00 33.44 H new ATOM 0 HB3 ASP A 21 9.951 2.803 2.571 1.00 33.44 H new ATOM 323 N VAL A 22 10.011 5.490 5.506 1.00 71.04 N ATOM 324 CA VAL A 22 9.922 6.956 5.567 1.00 53.12 C ATOM 325 C VAL A 22 10.944 7.641 4.641 1.00 73.42 C ATOM 326 O VAL A 22 10.723 8.762 4.181 1.00 51.42 O ATOM 327 CB VAL A 22 10.116 7.461 7.024 1.00 21.34 C ATOM 328 CG1 VAL A 22 11.509 7.113 7.545 1.00 13.45 C ATOM 329 CG2 VAL A 22 9.850 8.965 7.124 1.00 3.21 C ATOM 0 H VAL A 22 10.547 5.072 6.267 1.00 71.04 H new ATOM 0 HA VAL A 22 8.924 7.224 5.221 1.00 53.12 H new ATOM 0 HB VAL A 22 9.388 6.951 7.654 1.00 21.34 H new ATOM 0 HG11 VAL A 22 11.617 7.478 8.566 1.00 13.45 H new ATOM 0 HG12 VAL A 22 11.643 6.031 7.530 1.00 13.45 H new ATOM 0 HG13 VAL A 22 12.262 7.581 6.911 1.00 13.45 H new ATOM 0 HG21 VAL A 22 9.993 9.292 8.154 1.00 3.21 H new ATOM 0 HG22 VAL A 22 10.542 9.501 6.474 1.00 3.21 H new ATOM 0 HG23 VAL A 22 8.826 9.175 6.815 1.00 3.21 H new ATOM 339 N ASP A 23 12.056 6.961 4.362 1.00 70.24 N ATOM 340 CA ASP A 23 13.128 7.539 3.544 1.00 33.42 C ATOM 341 C ASP A 23 12.690 7.725 2.083 1.00 14.14 C ATOM 342 O ASP A 23 13.070 8.699 1.427 1.00 14.30 O ATOM 343 CB ASP A 23 14.376 6.656 3.615 1.00 34.41 C ATOM 344 CG ASP A 23 15.573 7.297 2.934 1.00 45.31 C ATOM 345 OD1 ASP A 23 16.203 8.191 3.545 1.00 60.35 O ATOM 346 OD2 ASP A 23 15.893 6.914 1.793 1.00 43.13 O ATOM 0 H ASP A 23 12.240 6.012 4.688 1.00 70.24 H new ATOM 0 HA ASP A 23 13.360 8.525 3.946 1.00 33.42 H new ATOM 0 HB2 ASP A 23 14.618 6.456 4.659 1.00 34.41 H new ATOM 0 HB3 ASP A 23 14.166 5.695 3.147 1.00 34.41 H new ATOM 351 N GLY A 24 11.906 6.783 1.575 1.00 71.25 N ATOM 352 CA GLY A 24 11.379 6.887 0.220 1.00 64.43 C ATOM 353 C GLY A 24 11.811 5.744 -0.688 1.00 13.55 C ATOM 354 O GLY A 24 12.428 5.970 -1.729 1.00 53.13 O ATOM 0 H GLY A 24 11.622 5.942 2.078 1.00 71.25 H new ATOM 0 HA2 GLY A 24 10.290 6.915 0.263 1.00 64.43 H new ATOM 0 HA3 GLY A 24 11.705 7.831 -0.217 1.00 64.43 H new ATOM 358 N LYS A 25 11.499 4.509 -0.299 1.00 43.20 N ATOM 359 CA LYS A 25 11.820 3.343 -1.133 1.00 61.24 C ATOM 360 C LYS A 25 10.609 2.415 -1.339 1.00 74.35 C ATOM 361 O LYS A 25 10.211 2.153 -2.476 1.00 22.21 O ATOM 362 CB LYS A 25 12.984 2.550 -0.524 1.00 4.14 C ATOM 363 CG LYS A 25 14.288 3.339 -0.433 1.00 73.03 C ATOM 364 CD LYS A 25 15.423 2.492 0.125 1.00 12.01 C ATOM 365 CE LYS A 25 16.716 3.290 0.250 1.00 23.20 C ATOM 366 NZ LYS A 25 16.582 4.433 1.191 1.00 35.51 N ATOM 0 H LYS A 25 11.029 4.287 0.579 1.00 43.20 H new ATOM 0 HA LYS A 25 12.110 3.727 -2.111 1.00 61.24 H new ATOM 0 HB2 LYS A 25 12.701 2.217 0.475 1.00 4.14 H new ATOM 0 HB3 LYS A 25 13.153 1.655 -1.122 1.00 4.14 H new ATOM 0 HG2 LYS A 25 14.561 3.706 -1.423 1.00 73.03 H new ATOM 0 HG3 LYS A 25 14.141 4.213 0.202 1.00 73.03 H new ATOM 0 HD2 LYS A 25 15.140 2.103 1.103 1.00 12.01 H new ATOM 0 HD3 LYS A 25 15.588 1.632 -0.524 1.00 12.01 H new ATOM 0 HE2 LYS A 25 17.515 2.632 0.592 1.00 23.20 H new ATOM 0 HE3 LYS A 25 17.007 3.662 -0.732 1.00 23.20 H new ATOM 0 HZ1 LYS A 25 17.505 4.636 1.624 1.00 35.51 H new ATOM 0 HZ2 LYS A 25 16.250 5.272 0.673 1.00 35.51 H new ATOM 0 HZ3 LYS A 25 15.896 4.192 1.935 1.00 35.51 H new ATOM 380 N PHE A 26 10.024 1.919 -0.246 1.00 32.02 N ATOM 381 CA PHE A 26 8.963 0.903 -0.348 1.00 63.13 C ATOM 382 C PHE A 26 7.869 1.048 0.727 1.00 61.42 C ATOM 383 O PHE A 26 8.052 1.700 1.754 1.00 71.43 O ATOM 384 CB PHE A 26 9.578 -0.507 -0.271 1.00 44.40 C ATOM 385 CG PHE A 26 10.361 -0.768 0.996 1.00 55.24 C ATOM 386 CD1 PHE A 26 11.718 -0.481 1.061 1.00 72.12 C ATOM 387 CD2 PHE A 26 9.743 -1.301 2.121 1.00 30.25 C ATOM 388 CE1 PHE A 26 12.437 -0.716 2.216 1.00 75.12 C ATOM 389 CE2 PHE A 26 10.460 -1.539 3.278 1.00 15.35 C ATOM 390 CZ PHE A 26 11.809 -1.247 3.326 1.00 24.43 C ATOM 0 H PHE A 26 10.259 2.196 0.707 1.00 32.02 H new ATOM 0 HA PHE A 26 8.479 1.058 -1.312 1.00 63.13 H new ATOM 0 HB2 PHE A 26 8.780 -1.245 -0.351 1.00 44.40 H new ATOM 0 HB3 PHE A 26 10.235 -0.653 -1.128 1.00 44.40 H new ATOM 0 HD1 PHE A 26 12.218 -0.069 0.197 1.00 72.12 H new ATOM 0 HD2 PHE A 26 8.688 -1.532 2.091 1.00 30.25 H new ATOM 0 HE1 PHE A 26 13.491 -0.485 2.252 1.00 75.12 H new ATOM 0 HE2 PHE A 26 9.966 -1.953 4.144 1.00 15.35 H new ATOM 0 HZ PHE A 26 12.371 -1.433 4.229 1.00 24.43 H new ATOM 400 N ILE A 27 6.729 0.418 0.454 1.00 25.02 N ATOM 401 CA ILE A 27 5.601 0.314 1.393 1.00 50.21 C ATOM 402 C ILE A 27 5.191 -1.167 1.508 1.00 0.23 C ATOM 403 O ILE A 27 5.545 -1.962 0.644 1.00 55.34 O ATOM 404 CB ILE A 27 4.388 1.153 0.891 1.00 72.14 C ATOM 405 CG1 ILE A 27 4.796 2.621 0.667 1.00 12.23 C ATOM 406 CG2 ILE A 27 3.213 1.068 1.868 1.00 64.44 C ATOM 407 CD1 ILE A 27 3.690 3.490 0.098 1.00 23.51 C ATOM 0 H ILE A 27 6.554 -0.044 -0.438 1.00 25.02 H new ATOM 0 HA ILE A 27 5.906 0.700 2.365 1.00 50.21 H new ATOM 0 HB ILE A 27 4.066 0.733 -0.062 1.00 72.14 H new ATOM 0 HG12 ILE A 27 5.125 3.045 1.616 1.00 12.23 H new ATOM 0 HG13 ILE A 27 5.651 2.651 -0.009 1.00 12.23 H new ATOM 0 HG21 ILE A 27 2.382 1.664 1.490 1.00 64.44 H new ATOM 0 HG22 ILE A 27 2.898 0.029 1.969 1.00 64.44 H new ATOM 0 HG23 ILE A 27 3.521 1.451 2.841 1.00 64.44 H new ATOM 0 HD11 ILE A 27 4.057 4.508 -0.030 1.00 23.51 H new ATOM 0 HD12 ILE A 27 3.376 3.093 -0.867 1.00 23.51 H new ATOM 0 HD13 ILE A 27 2.842 3.494 0.782 1.00 23.51 H new ATOM 419 N ARG A 28 4.471 -1.562 2.558 1.00 70.45 N ATOM 420 CA ARG A 28 4.017 -2.956 2.662 1.00 23.13 C ATOM 421 C ARG A 28 2.659 -3.082 3.367 1.00 51.35 C ATOM 422 O ARG A 28 2.485 -2.654 4.515 1.00 43.54 O ATOM 423 CB ARG A 28 5.067 -3.813 3.385 1.00 23.10 C ATOM 424 CG ARG A 28 4.838 -5.316 3.227 1.00 13.12 C ATOM 425 CD ARG A 28 5.901 -6.137 3.946 1.00 62.31 C ATOM 426 NE ARG A 28 5.797 -6.017 5.398 1.00 33.23 N ATOM 427 CZ ARG A 28 6.702 -5.477 6.163 1.00 41.12 C ATOM 428 NH1 ARG A 28 7.784 -4.978 5.660 1.00 23.20 N ATOM 429 NH2 ARG A 28 6.519 -5.440 7.436 1.00 51.23 N ATOM 0 H ARG A 28 4.193 -0.958 3.332 1.00 70.45 H new ATOM 0 HA ARG A 28 3.889 -3.322 1.643 1.00 23.13 H new ATOM 0 HB2 ARG A 28 6.056 -3.562 3.002 1.00 23.10 H new ATOM 0 HB3 ARG A 28 5.062 -3.562 4.446 1.00 23.10 H new ATOM 0 HG2 ARG A 28 3.854 -5.575 3.618 1.00 13.12 H new ATOM 0 HG3 ARG A 28 4.837 -5.573 2.168 1.00 13.12 H new ATOM 0 HD2 ARG A 28 5.804 -7.185 3.661 1.00 62.31 H new ATOM 0 HD3 ARG A 28 6.890 -5.810 3.625 1.00 62.31 H new ATOM 0 HE ARG A 28 4.956 -6.382 5.844 1.00 33.23 H new ATOM 0 HH11 ARG A 28 7.937 -5.004 4.652 1.00 23.20 H new ATOM 0 HH12 ARG A 28 8.484 -4.558 6.271 1.00 23.20 H new ATOM 0 HH21 ARG A 28 5.669 -5.832 7.841 1.00 51.23 H new ATOM 0 HH22 ARG A 28 7.224 -5.018 8.041 1.00 51.23 H new ATOM 443 N LEU A 29 1.696 -3.675 2.665 1.00 13.22 N ATOM 444 CA LEU A 29 0.376 -3.967 3.232 1.00 74.42 C ATOM 445 C LEU A 29 0.310 -5.423 3.721 1.00 52.54 C ATOM 446 O LEU A 29 1.221 -6.216 3.472 1.00 52.11 O ATOM 447 CB LEU A 29 -0.734 -3.712 2.197 1.00 42.12 C ATOM 448 CG LEU A 29 -0.981 -2.236 1.820 1.00 24.22 C ATOM 449 CD1 LEU A 29 0.200 -1.651 1.048 1.00 30.35 C ATOM 450 CD2 LEU A 29 -2.272 -2.098 1.013 1.00 55.33 C ATOM 0 H LEU A 29 1.804 -3.966 1.693 1.00 13.22 H new ATOM 0 HA LEU A 29 0.220 -3.301 4.080 1.00 74.42 H new ATOM 0 HB2 LEU A 29 -0.490 -4.262 1.288 1.00 42.12 H new ATOM 0 HB3 LEU A 29 -1.665 -4.129 2.582 1.00 42.12 H new ATOM 0 HG LEU A 29 -1.085 -1.669 2.745 1.00 24.22 H new ATOM 0 HD11 LEU A 29 -0.008 -0.610 0.799 1.00 30.35 H new ATOM 0 HD12 LEU A 29 1.099 -1.704 1.663 1.00 30.35 H new ATOM 0 HD13 LEU A 29 0.353 -2.220 0.131 1.00 30.35 H new ATOM 0 HD21 LEU A 29 -2.430 -1.051 0.756 1.00 55.33 H new ATOM 0 HD22 LEU A 29 -2.195 -2.688 0.100 1.00 55.33 H new ATOM 0 HD23 LEU A 29 -3.113 -2.457 1.607 1.00 55.33 H new ATOM 462 N LYS A 30 -0.780 -5.780 4.394 1.00 41.15 N ATOM 463 CA LYS A 30 -0.918 -7.113 4.989 1.00 33.03 C ATOM 464 C LYS A 30 -2.361 -7.629 4.869 1.00 73.21 C ATOM 465 O LYS A 30 -3.302 -6.997 5.359 1.00 11.01 O ATOM 466 CB LYS A 30 -0.482 -7.055 6.461 1.00 51.04 C ATOM 467 CG LYS A 30 -0.201 -8.413 7.103 1.00 25.44 C ATOM 468 CD LYS A 30 0.462 -8.243 8.470 1.00 72.25 C ATOM 469 CE LYS A 30 1.004 -9.557 9.018 1.00 53.42 C ATOM 470 NZ LYS A 30 1.775 -9.354 10.272 1.00 33.42 N ATOM 0 H LYS A 30 -1.582 -5.168 4.543 1.00 41.15 H new ATOM 0 HA LYS A 30 -0.278 -7.810 4.448 1.00 33.03 H new ATOM 0 HB2 LYS A 30 0.416 -6.442 6.535 1.00 51.04 H new ATOM 0 HB3 LYS A 30 -1.260 -6.552 7.036 1.00 51.04 H new ATOM 0 HG2 LYS A 30 -1.133 -8.968 7.213 1.00 25.44 H new ATOM 0 HG3 LYS A 30 0.445 -9.001 6.451 1.00 25.44 H new ATOM 0 HD2 LYS A 30 1.276 -7.522 8.389 1.00 72.25 H new ATOM 0 HD3 LYS A 30 -0.261 -7.830 9.173 1.00 72.25 H new ATOM 0 HE2 LYS A 30 0.177 -10.241 9.206 1.00 53.42 H new ATOM 0 HE3 LYS A 30 1.643 -10.027 8.270 1.00 53.42 H new ATOM 0 HZ1 LYS A 30 2.295 -10.224 10.505 1.00 33.42 H new ATOM 0 HZ2 LYS A 30 2.449 -8.573 10.143 1.00 33.42 H new ATOM 0 HZ3 LYS A 30 1.122 -9.123 11.048 1.00 33.42 H new ATOM 484 N ASN A 31 -2.534 -8.774 4.209 1.00 41.31 N ATOM 485 CA ASN A 31 -3.865 -9.360 4.015 1.00 24.14 C ATOM 486 C ASN A 31 -4.312 -10.152 5.255 1.00 41.25 C ATOM 487 O ASN A 31 -4.094 -11.362 5.354 1.00 24.31 O ATOM 488 CB ASN A 31 -3.876 -10.266 2.774 1.00 11.15 C ATOM 489 CG ASN A 31 -5.255 -10.835 2.465 1.00 40.35 C ATOM 490 OD1 ASN A 31 -6.279 -10.198 2.699 1.00 34.04 O ATOM 491 ND2 ASN A 31 -5.294 -12.044 1.943 1.00 33.13 N ATOM 0 H ASN A 31 -1.772 -9.315 3.800 1.00 41.31 H new ATOM 0 HA ASN A 31 -4.571 -8.543 3.863 1.00 24.14 H new ATOM 0 HB2 ASN A 31 -3.522 -9.698 1.913 1.00 11.15 H new ATOM 0 HB3 ASN A 31 -3.175 -11.087 2.924 1.00 11.15 H new ATOM 0 HD21 ASN A 31 -6.191 -12.475 1.722 1.00 33.13 H new ATOM 0 HD22 ASN A 31 -4.427 -12.549 1.760 1.00 33.13 H new ATOM 498 N THR A 32 -4.914 -9.454 6.212 1.00 62.41 N ATOM 499 CA THR A 32 -5.462 -10.090 7.418 1.00 43.41 C ATOM 500 C THR A 32 -6.868 -10.637 7.139 1.00 11.12 C ATOM 501 O THR A 32 -7.869 -9.950 7.352 1.00 62.52 O ATOM 502 CB THR A 32 -5.517 -9.095 8.605 1.00 50.50 C ATOM 503 OG1 THR A 32 -6.310 -7.944 8.258 1.00 33.13 O ATOM 504 CG2 THR A 32 -4.113 -8.642 8.998 1.00 21.33 C ATOM 0 H THR A 32 -5.038 -8.442 6.181 1.00 62.41 H new ATOM 0 HA THR A 32 -4.799 -10.912 7.689 1.00 43.41 H new ATOM 0 HB THR A 32 -5.974 -9.608 9.451 1.00 50.50 H new ATOM 0 HG1 THR A 32 -6.657 -8.048 7.347 1.00 33.13 H new ATOM 0 HG21 THR A 32 -4.176 -7.944 9.833 1.00 21.33 H new ATOM 0 HG22 THR A 32 -3.520 -9.508 9.293 1.00 21.33 H new ATOM 0 HG23 THR A 32 -3.639 -8.150 8.149 1.00 21.33 H new ATOM 512 N SER A 33 -6.939 -11.873 6.652 1.00 2.34 N ATOM 513 CA SER A 33 -8.197 -12.421 6.121 1.00 2.12 C ATOM 514 C SER A 33 -8.525 -13.810 6.669 1.00 43.01 C ATOM 515 O SER A 33 -7.669 -14.502 7.220 1.00 14.03 O ATOM 516 CB SER A 33 -8.124 -12.500 4.592 1.00 5.05 C ATOM 517 OG SER A 33 -9.315 -13.047 4.044 1.00 1.01 O ATOM 0 H SER A 33 -6.148 -12.516 6.611 1.00 2.34 H new ATOM 0 HA SER A 33 -8.989 -11.744 6.441 1.00 2.12 H new ATOM 0 HB2 SER A 33 -7.957 -11.504 4.182 1.00 5.05 H new ATOM 0 HB3 SER A 33 -7.272 -13.112 4.298 1.00 5.05 H new ATOM 0 HG SER A 33 -9.093 -13.826 3.492 1.00 1.01 H new ATOM 523 N GLU A 34 -9.784 -14.203 6.486 1.00 53.11 N ATOM 524 CA GLU A 34 -10.273 -15.537 6.850 1.00 55.50 C ATOM 525 C GLU A 34 -9.914 -16.562 5.761 1.00 72.13 C ATOM 526 O GLU A 34 -9.780 -17.761 6.025 1.00 2.03 O ATOM 527 CB GLU A 34 -11.801 -15.485 7.014 1.00 15.05 C ATOM 528 CG GLU A 34 -12.288 -14.388 7.957 1.00 20.15 C ATOM 529 CD GLU A 34 -13.795 -14.177 7.888 1.00 63.24 C ATOM 530 OE1 GLU A 34 -14.252 -13.354 7.064 1.00 3.25 O ATOM 531 OE2 GLU A 34 -14.531 -14.825 8.662 1.00 42.15 O ATOM 0 H GLU A 34 -10.501 -13.603 6.078 1.00 53.11 H new ATOM 0 HA GLU A 34 -9.803 -15.842 7.785 1.00 55.50 H new ATOM 0 HB2 GLU A 34 -12.256 -15.336 6.035 1.00 15.05 H new ATOM 0 HB3 GLU A 34 -12.149 -16.449 7.384 1.00 15.05 H new ATOM 0 HG2 GLU A 34 -12.008 -14.643 8.979 1.00 20.15 H new ATOM 0 HG3 GLU A 34 -11.783 -13.454 7.712 1.00 20.15 H new ATOM 538 N GLN A 35 -9.768 -16.070 4.532 1.00 62.50 N ATOM 539 CA GLN A 35 -9.507 -16.913 3.356 1.00 15.12 C ATOM 540 C GLN A 35 -8.487 -16.233 2.420 1.00 43.34 C ATOM 541 O GLN A 35 -8.242 -15.030 2.528 1.00 11.30 O ATOM 542 CB GLN A 35 -10.833 -17.165 2.613 1.00 41.31 C ATOM 543 CG GLN A 35 -10.732 -18.134 1.437 1.00 33.30 C ATOM 544 CD GLN A 35 -12.041 -18.280 0.674 1.00 52.03 C ATOM 545 OE1 GLN A 35 -12.837 -17.351 0.589 1.00 74.50 O ATOM 546 NE2 GLN A 35 -12.274 -19.449 0.113 1.00 64.42 N ATOM 0 H GLN A 35 -9.827 -15.074 4.318 1.00 62.50 H new ATOM 0 HA GLN A 35 -9.085 -17.865 3.680 1.00 15.12 H new ATOM 0 HB2 GLN A 35 -11.564 -17.552 3.323 1.00 41.31 H new ATOM 0 HB3 GLN A 35 -11.216 -16.212 2.249 1.00 41.31 H new ATOM 0 HG2 GLN A 35 -9.956 -17.788 0.754 1.00 33.30 H new ATOM 0 HG3 GLN A 35 -10.421 -19.112 1.804 1.00 33.30 H new ATOM 0 HE21 GLN A 35 -11.592 -20.202 0.202 1.00 64.42 H new ATOM 0 HE22 GLN A 35 -13.136 -19.601 -0.410 1.00 64.42 H new ATOM 555 N ASP A 36 -7.882 -17.002 1.518 1.00 65.23 N ATOM 556 CA ASP A 36 -6.950 -16.440 0.533 1.00 12.23 C ATOM 557 C ASP A 36 -7.712 -15.565 -0.481 1.00 41.04 C ATOM 558 O ASP A 36 -8.472 -16.072 -1.308 1.00 33.23 O ATOM 559 CB ASP A 36 -6.195 -17.566 -0.181 1.00 3.22 C ATOM 560 CG ASP A 36 -5.587 -18.559 0.796 1.00 43.04 C ATOM 561 OD1 ASP A 36 -4.717 -18.162 1.600 1.00 54.11 O ATOM 562 OD2 ASP A 36 -5.980 -19.744 0.771 1.00 32.00 O ATOM 0 H ASP A 36 -8.017 -18.010 1.445 1.00 65.23 H new ATOM 0 HA ASP A 36 -6.224 -15.813 1.050 1.00 12.23 H new ATOM 0 HB2 ASP A 36 -6.876 -18.090 -0.852 1.00 3.22 H new ATOM 0 HB3 ASP A 36 -5.406 -17.137 -0.799 1.00 3.22 H new ATOM 567 N GLN A 37 -7.507 -14.250 -0.409 1.00 41.33 N ATOM 568 CA GLN A 37 -8.326 -13.297 -1.175 1.00 54.43 C ATOM 569 C GLN A 37 -7.597 -12.751 -2.415 1.00 72.42 C ATOM 570 O GLN A 37 -6.420 -12.410 -2.354 1.00 63.11 O ATOM 571 CB GLN A 37 -8.752 -12.129 -0.274 1.00 4.24 C ATOM 572 CG GLN A 37 -9.612 -12.546 0.915 1.00 54.23 C ATOM 573 CD GLN A 37 -10.870 -13.290 0.498 1.00 65.25 C ATOM 574 OE1 GLN A 37 -10.881 -14.509 0.392 1.00 51.12 O ATOM 575 NE2 GLN A 37 -11.937 -12.562 0.254 1.00 43.33 N ATOM 0 H GLN A 37 -6.786 -13.817 0.168 1.00 41.33 H new ATOM 0 HA GLN A 37 -9.202 -13.842 -1.526 1.00 54.43 H new ATOM 0 HB2 GLN A 37 -7.860 -11.624 0.095 1.00 4.24 H new ATOM 0 HB3 GLN A 37 -9.304 -11.404 -0.872 1.00 4.24 H new ATOM 0 HG2 GLN A 37 -9.024 -13.179 1.579 1.00 54.23 H new ATOM 0 HG3 GLN A 37 -9.891 -11.660 1.485 1.00 54.23 H new ATOM 0 HE21 GLN A 37 -11.895 -11.548 0.352 1.00 43.33 H new ATOM 0 HE22 GLN A 37 -12.806 -13.012 -0.033 1.00 43.33 H new ATOM 584 N PRO A 38 -8.308 -12.628 -3.556 1.00 72.55 N ATOM 585 CA PRO A 38 -7.731 -12.096 -4.806 1.00 75.24 C ATOM 586 C PRO A 38 -7.561 -10.560 -4.797 1.00 52.03 C ATOM 587 O PRO A 38 -7.909 -9.885 -5.767 1.00 22.15 O ATOM 588 CB PRO A 38 -8.762 -12.525 -5.859 1.00 14.42 C ATOM 589 CG PRO A 38 -10.057 -12.550 -5.121 1.00 62.44 C ATOM 590 CD PRO A 38 -9.727 -13.013 -3.724 1.00 54.15 C ATOM 0 HA PRO A 38 -6.723 -12.471 -4.982 1.00 75.24 H new ATOM 0 HB2 PRO A 38 -8.793 -11.824 -6.693 1.00 14.42 H new ATOM 0 HB3 PRO A 38 -8.522 -13.504 -6.274 1.00 14.42 H new ATOM 0 HG2 PRO A 38 -10.518 -11.562 -5.107 1.00 62.44 H new ATOM 0 HG3 PRO A 38 -10.766 -13.226 -5.599 1.00 62.44 H new ATOM 0 HD2 PRO A 38 -10.364 -12.532 -2.981 1.00 54.15 H new ATOM 0 HD3 PRO A 38 -9.866 -14.089 -3.615 1.00 54.15 H new ATOM 598 N MET A 39 -7.009 -10.023 -3.703 1.00 44.52 N ATOM 599 CA MET A 39 -6.745 -8.576 -3.566 1.00 41.33 C ATOM 600 C MET A 39 -8.045 -7.740 -3.598 1.00 22.43 C ATOM 601 O MET A 39 -8.566 -7.335 -2.552 1.00 30.42 O ATOM 602 CB MET A 39 -5.769 -8.107 -4.662 1.00 41.54 C ATOM 603 CG MET A 39 -5.328 -6.649 -4.560 1.00 1.24 C ATOM 604 SD MET A 39 -4.262 -6.318 -3.135 1.00 33.32 S ATOM 605 CE MET A 39 -5.458 -5.902 -1.868 1.00 12.01 C ATOM 0 H MET A 39 -6.732 -10.571 -2.889 1.00 44.52 H new ATOM 0 HA MET A 39 -6.288 -8.417 -2.589 1.00 41.33 H new ATOM 0 HB2 MET A 39 -4.883 -8.741 -4.632 1.00 41.54 H new ATOM 0 HB3 MET A 39 -6.238 -8.261 -5.634 1.00 41.54 H new ATOM 0 HG2 MET A 39 -4.799 -6.373 -5.472 1.00 1.24 H new ATOM 0 HG3 MET A 39 -6.211 -6.013 -4.499 1.00 1.24 H new ATOM 0 HE1 MET A 39 -4.938 -5.676 -0.937 1.00 12.01 H new ATOM 0 HE2 MET A 39 -6.034 -5.032 -2.183 1.00 12.01 H new ATOM 0 HE3 MET A 39 -6.131 -6.745 -1.712 1.00 12.01 H new ATOM 615 N GLY A 40 -8.570 -7.497 -4.800 1.00 74.20 N ATOM 616 CA GLY A 40 -9.774 -6.683 -4.957 1.00 53.33 C ATOM 617 C GLY A 40 -9.495 -5.282 -5.503 1.00 41.21 C ATOM 618 O GLY A 40 -8.342 -4.870 -5.638 1.00 30.51 O ATOM 0 H GLY A 40 -8.182 -7.851 -5.674 1.00 74.20 H new ATOM 0 HA2 GLY A 40 -10.464 -7.195 -5.627 1.00 53.33 H new ATOM 0 HA3 GLY A 40 -10.273 -6.596 -3.992 1.00 53.33 H new ATOM 622 N GLY A 41 -10.562 -4.545 -5.814 1.00 44.35 N ATOM 623 CA GLY A 41 -10.413 -3.189 -6.336 1.00 13.15 C ATOM 624 C GLY A 41 -10.113 -2.151 -5.253 1.00 43.44 C ATOM 625 O GLY A 41 -11.005 -1.420 -4.813 1.00 61.22 O ATOM 0 H GLY A 41 -11.527 -4.860 -5.715 1.00 44.35 H new ATOM 0 HA2 GLY A 41 -9.610 -3.177 -7.073 1.00 13.15 H new ATOM 0 HA3 GLY A 41 -11.327 -2.906 -6.857 1.00 13.15 H new ATOM 629 N TRP A 42 -8.856 -2.094 -4.816 1.00 10.04 N ATOM 630 CA TRP A 42 -8.419 -1.120 -3.801 1.00 10.12 C ATOM 631 C TRP A 42 -7.722 0.091 -4.442 1.00 73.25 C ATOM 632 O TRP A 42 -6.981 -0.053 -5.414 1.00 4.45 O ATOM 633 CB TRP A 42 -7.451 -1.783 -2.811 1.00 31.15 C ATOM 634 CG TRP A 42 -8.072 -2.853 -1.964 1.00 43.32 C ATOM 635 CD1 TRP A 42 -8.481 -4.089 -2.372 1.00 44.52 C ATOM 636 CD2 TRP A 42 -8.335 -2.785 -0.559 1.00 25.14 C ATOM 637 NE1 TRP A 42 -8.983 -4.794 -1.308 1.00 30.04 N ATOM 638 CE2 TRP A 42 -8.904 -4.015 -0.182 1.00 35.03 C ATOM 639 CE3 TRP A 42 -8.141 -1.802 0.419 1.00 34.34 C ATOM 640 CZ2 TRP A 42 -9.285 -4.288 1.129 1.00 71.23 C ATOM 641 CZ3 TRP A 42 -8.521 -2.073 1.720 1.00 13.30 C ATOM 642 CH2 TRP A 42 -9.085 -3.309 2.065 1.00 52.15 C ATOM 0 H TRP A 42 -8.115 -2.711 -5.147 1.00 10.04 H new ATOM 0 HA TRP A 42 -9.311 -0.774 -3.279 1.00 10.12 H new ATOM 0 HB2 TRP A 42 -6.619 -2.214 -3.368 1.00 31.15 H new ATOM 0 HB3 TRP A 42 -7.035 -1.015 -2.159 1.00 31.15 H new ATOM 0 HD1 TRP A 42 -8.419 -4.458 -3.385 1.00 44.52 H new ATOM 0 HE1 TRP A 42 -9.355 -5.743 -1.348 1.00 30.04 H new ATOM 0 HE3 TRP A 42 -7.702 -0.849 0.161 1.00 34.34 H new ATOM 0 HZ2 TRP A 42 -9.723 -5.238 1.398 1.00 71.23 H new ATOM 0 HZ3 TRP A 42 -8.381 -1.321 2.482 1.00 13.30 H new ATOM 0 HH2 TRP A 42 -9.368 -3.493 3.091 1.00 52.15 H new ATOM 653 N GLU A 43 -7.956 1.279 -3.890 1.00 24.33 N ATOM 654 CA GLU A 43 -7.252 2.492 -4.323 1.00 73.22 C ATOM 655 C GLU A 43 -6.379 3.045 -3.181 1.00 70.22 C ATOM 656 O GLU A 43 -6.891 3.462 -2.139 1.00 52.14 O ATOM 657 CB GLU A 43 -8.254 3.562 -4.786 1.00 33.03 C ATOM 658 CG GLU A 43 -7.593 4.801 -5.384 1.00 54.51 C ATOM 659 CD GLU A 43 -8.591 5.870 -5.815 1.00 63.32 C ATOM 660 OE1 GLU A 43 -9.218 5.712 -6.885 1.00 25.43 O ATOM 661 OE2 GLU A 43 -8.745 6.879 -5.092 1.00 43.21 O ATOM 0 H GLU A 43 -8.629 1.432 -3.139 1.00 24.33 H new ATOM 0 HA GLU A 43 -6.607 2.231 -5.162 1.00 73.22 H new ATOM 0 HB2 GLU A 43 -8.923 3.124 -5.527 1.00 33.03 H new ATOM 0 HB3 GLU A 43 -8.869 3.862 -3.938 1.00 33.03 H new ATOM 0 HG2 GLU A 43 -6.908 5.228 -4.651 1.00 54.51 H new ATOM 0 HG3 GLU A 43 -6.994 4.505 -6.245 1.00 54.51 H new ATOM 668 N MET A 44 -5.061 3.036 -3.379 1.00 14.55 N ATOM 669 CA MET A 44 -4.112 3.486 -2.351 1.00 10.53 C ATOM 670 C MET A 44 -3.631 4.925 -2.605 1.00 5.03 C ATOM 671 O MET A 44 -2.825 5.171 -3.505 1.00 55.32 O ATOM 672 CB MET A 44 -2.917 2.523 -2.299 1.00 74.31 C ATOM 673 CG MET A 44 -1.844 2.912 -1.290 1.00 61.22 C ATOM 674 SD MET A 44 -0.562 1.654 -1.112 1.00 64.25 S ATOM 675 CE MET A 44 -0.008 1.476 -2.807 1.00 31.55 C ATOM 0 H MET A 44 -4.621 2.721 -4.244 1.00 14.55 H new ATOM 0 HA MET A 44 -4.627 3.484 -1.390 1.00 10.53 H new ATOM 0 HB2 MET A 44 -3.280 1.524 -2.059 1.00 74.31 H new ATOM 0 HB3 MET A 44 -2.465 2.468 -3.290 1.00 74.31 H new ATOM 0 HG2 MET A 44 -1.385 3.851 -1.599 1.00 61.22 H new ATOM 0 HG3 MET A 44 -2.310 3.089 -0.321 1.00 61.22 H new ATOM 0 HE1 MET A 44 1.067 1.298 -2.822 1.00 31.55 H new ATOM 0 HE2 MET A 44 -0.522 0.634 -3.271 1.00 31.55 H new ATOM 0 HE3 MET A 44 -0.232 2.388 -3.361 1.00 31.55 H new ATOM 685 N ILE A 45 -4.130 5.871 -1.806 1.00 61.21 N ATOM 686 CA ILE A 45 -3.758 7.288 -1.940 1.00 1.42 C ATOM 687 C ILE A 45 -2.547 7.634 -1.057 1.00 3.41 C ATOM 688 O ILE A 45 -2.609 7.517 0.166 1.00 63.34 O ATOM 689 CB ILE A 45 -4.928 8.243 -1.559 1.00 63.02 C ATOM 690 CG1 ILE A 45 -6.171 7.996 -2.438 1.00 10.53 C ATOM 691 CG2 ILE A 45 -4.486 9.706 -1.666 1.00 31.02 C ATOM 692 CD1 ILE A 45 -6.947 6.742 -2.087 1.00 30.10 C ATOM 0 H ILE A 45 -4.795 5.684 -1.056 1.00 61.21 H new ATOM 0 HA ILE A 45 -3.508 7.433 -2.991 1.00 1.42 H new ATOM 0 HB ILE A 45 -5.201 8.031 -0.525 1.00 63.02 H new ATOM 0 HG12 ILE A 45 -6.836 8.855 -2.355 1.00 10.53 H new ATOM 0 HG13 ILE A 45 -5.858 7.935 -3.480 1.00 10.53 H new ATOM 0 HG21 ILE A 45 -5.317 10.358 -1.396 1.00 31.02 H new ATOM 0 HG22 ILE A 45 -3.650 9.884 -0.989 1.00 31.02 H new ATOM 0 HG23 ILE A 45 -4.176 9.918 -2.689 1.00 31.02 H new ATOM 0 HD11 ILE A 45 -7.804 6.646 -2.754 1.00 30.10 H new ATOM 0 HD12 ILE A 45 -6.301 5.871 -2.199 1.00 30.10 H new ATOM 0 HD13 ILE A 45 -7.295 6.806 -1.056 1.00 30.10 H new ATOM 704 N ARG A 46 -1.453 8.072 -1.673 1.00 70.41 N ATOM 705 CA ARG A 46 -0.254 8.452 -0.918 1.00 11.25 C ATOM 706 C ARG A 46 -0.233 9.961 -0.631 1.00 3.52 C ATOM 707 O ARG A 46 0.219 10.759 -1.455 1.00 13.53 O ATOM 708 CB ARG A 46 1.016 8.025 -1.676 1.00 5.54 C ATOM 709 CG ARG A 46 2.314 8.249 -0.896 1.00 62.34 C ATOM 710 CD ARG A 46 3.505 7.538 -1.544 1.00 21.12 C ATOM 711 NE ARG A 46 3.862 8.090 -2.856 1.00 60.12 N ATOM 712 CZ ARG A 46 4.625 7.475 -3.729 1.00 20.02 C ATOM 713 NH1 ARG A 46 5.002 6.254 -3.527 1.00 41.34 N ATOM 714 NH2 ARG A 46 4.987 8.077 -4.814 1.00 10.35 N ATOM 0 H ARG A 46 -1.367 8.174 -2.684 1.00 70.41 H new ATOM 0 HA ARG A 46 -0.279 7.932 0.039 1.00 11.25 H new ATOM 0 HB2 ARG A 46 0.936 6.968 -1.931 1.00 5.54 H new ATOM 0 HB3 ARG A 46 1.069 8.577 -2.615 1.00 5.54 H new ATOM 0 HG2 ARG A 46 2.520 9.318 -0.835 1.00 62.34 H new ATOM 0 HG3 ARG A 46 2.189 7.889 0.125 1.00 62.34 H new ATOM 0 HD2 ARG A 46 4.367 7.608 -0.880 1.00 21.12 H new ATOM 0 HD3 ARG A 46 3.272 6.479 -1.653 1.00 21.12 H new ATOM 0 HE ARG A 46 3.494 9.008 -3.105 1.00 60.12 H new ATOM 0 HH11 ARG A 46 4.706 5.762 -2.684 1.00 41.34 H new ATOM 0 HH12 ARG A 46 5.595 5.784 -4.211 1.00 41.34 H new ATOM 0 HH21 ARG A 46 4.680 9.033 -4.994 1.00 10.35 H new ATOM 0 HH22 ARG A 46 5.580 7.596 -5.490 1.00 10.35 H new ATOM 728 N LYS A 47 -0.740 10.347 0.538 1.00 42.01 N ATOM 729 CA LYS A 47 -0.772 11.756 0.936 1.00 44.33 C ATOM 730 C LYS A 47 0.595 12.224 1.456 1.00 10.04 C ATOM 731 O LYS A 47 0.866 12.208 2.657 1.00 30.32 O ATOM 732 CB LYS A 47 -1.857 12.005 1.996 1.00 44.44 C ATOM 733 CG LYS A 47 -3.278 11.792 1.481 1.00 55.31 C ATOM 734 CD LYS A 47 -4.322 12.207 2.514 1.00 14.24 C ATOM 735 CE LYS A 47 -5.743 12.069 1.974 1.00 52.01 C ATOM 736 NZ LYS A 47 -6.758 12.516 2.964 1.00 61.34 N ATOM 0 H LYS A 47 -1.134 9.706 1.227 1.00 42.01 H new ATOM 0 HA LYS A 47 -1.014 12.338 0.047 1.00 44.33 H new ATOM 0 HB2 LYS A 47 -1.684 11.342 2.843 1.00 44.44 H new ATOM 0 HB3 LYS A 47 -1.763 13.026 2.366 1.00 44.44 H new ATOM 0 HG2 LYS A 47 -3.423 12.366 0.566 1.00 55.31 H new ATOM 0 HG3 LYS A 47 -3.418 10.742 1.224 1.00 55.31 H new ATOM 0 HD2 LYS A 47 -4.212 11.593 3.408 1.00 14.24 H new ATOM 0 HD3 LYS A 47 -4.146 13.240 2.813 1.00 14.24 H new ATOM 0 HE2 LYS A 47 -5.843 12.656 1.061 1.00 52.01 H new ATOM 0 HE3 LYS A 47 -5.930 11.029 1.706 1.00 52.01 H new ATOM 0 HZ1 LYS A 47 -7.710 12.406 2.559 1.00 61.34 H new ATOM 0 HZ2 LYS A 47 -6.680 11.939 3.826 1.00 61.34 H new ATOM 0 HZ3 LYS A 47 -6.595 13.516 3.201 1.00 61.34 H new ATOM 750 N ILE A 48 1.461 12.612 0.526 1.00 20.21 N ATOM 751 CA ILE A 48 2.776 13.167 0.863 1.00 31.24 C ATOM 752 C ILE A 48 2.654 14.646 1.287 1.00 44.34 C ATOM 753 O ILE A 48 3.572 15.226 1.873 1.00 71.30 O ATOM 754 CB ILE A 48 3.746 13.030 -0.344 1.00 41.32 C ATOM 755 CG1 ILE A 48 5.184 13.397 0.054 1.00 51.24 C ATOM 756 CG2 ILE A 48 3.269 13.881 -1.524 1.00 43.40 C ATOM 757 CD1 ILE A 48 6.194 13.175 -1.052 1.00 13.31 C ATOM 0 H ILE A 48 1.278 12.553 -0.476 1.00 20.21 H new ATOM 0 HA ILE A 48 3.180 12.602 1.703 1.00 31.24 H new ATOM 0 HB ILE A 48 3.746 11.986 -0.657 1.00 41.32 H new ATOM 0 HG12 ILE A 48 5.213 14.444 0.356 1.00 51.24 H new ATOM 0 HG13 ILE A 48 5.474 12.806 0.923 1.00 51.24 H new ATOM 0 HG21 ILE A 48 3.963 13.770 -2.357 1.00 43.40 H new ATOM 0 HG22 ILE A 48 2.277 13.552 -1.832 1.00 43.40 H new ATOM 0 HG23 ILE A 48 3.227 14.928 -1.224 1.00 43.40 H new ATOM 0 HD11 ILE A 48 7.187 13.455 -0.700 1.00 13.31 H new ATOM 0 HD12 ILE A 48 6.194 12.123 -1.339 1.00 13.31 H new ATOM 0 HD13 ILE A 48 5.929 13.786 -1.915 1.00 13.31 H new ATOM 769 N GLY A 49 1.496 15.235 0.993 1.00 13.13 N ATOM 770 CA GLY A 49 1.223 16.625 1.345 1.00 44.32 C ATOM 771 C GLY A 49 -0.194 17.038 0.965 1.00 62.32 C ATOM 772 O GLY A 49 -1.096 16.195 0.901 1.00 31.45 O ATOM 0 H GLY A 49 0.729 14.767 0.510 1.00 13.13 H new ATOM 0 HA2 GLY A 49 1.367 16.763 2.417 1.00 44.32 H new ATOM 0 HA3 GLY A 49 1.938 17.275 0.841 1.00 44.32 H new ATOM 776 N ASP A 50 -0.406 18.325 0.706 1.00 73.32 N ATOM 777 CA ASP A 50 -1.713 18.803 0.252 1.00 62.21 C ATOM 778 C ASP A 50 -1.886 18.513 -1.250 1.00 44.42 C ATOM 779 O ASP A 50 -1.622 19.365 -2.104 1.00 32.42 O ATOM 780 CB ASP A 50 -1.879 20.299 0.545 1.00 51.41 C ATOM 781 CG ASP A 50 -3.319 20.760 0.388 1.00 14.51 C ATOM 782 OD1 ASP A 50 -4.129 20.508 1.306 1.00 32.43 O ATOM 783 OD2 ASP A 50 -3.654 21.367 -0.652 1.00 63.22 O ATOM 0 H ASP A 50 0.303 19.052 0.801 1.00 73.32 H new ATOM 0 HA ASP A 50 -2.490 18.270 0.800 1.00 62.21 H new ATOM 0 HB2 ASP A 50 -1.541 20.508 1.560 1.00 51.41 H new ATOM 0 HB3 ASP A 50 -1.241 20.872 -0.128 1.00 51.41 H new ATOM 788 N THR A 51 -2.282 17.281 -1.553 1.00 2.22 N ATOM 789 CA THR A 51 -2.442 16.814 -2.937 1.00 64.04 C ATOM 790 C THR A 51 -3.202 15.482 -2.977 1.00 42.40 C ATOM 791 O THR A 51 -3.589 14.949 -1.935 1.00 45.32 O ATOM 792 CB THR A 51 -1.067 16.626 -3.632 1.00 34.42 C ATOM 793 OG1 THR A 51 -1.244 16.211 -4.994 1.00 21.23 O ATOM 794 CG2 THR A 51 -0.210 15.596 -2.895 1.00 22.12 C ATOM 0 H THR A 51 -2.502 16.574 -0.851 1.00 2.22 H new ATOM 0 HA THR A 51 -3.010 17.577 -3.469 1.00 64.04 H new ATOM 0 HB THR A 51 -0.554 17.588 -3.610 1.00 34.42 H new ATOM 0 HG1 THR A 51 -1.874 16.815 -5.441 1.00 21.23 H new ATOM 0 HG21 THR A 51 0.747 15.486 -3.406 1.00 22.12 H new ATOM 0 HG22 THR A 51 -0.039 15.930 -1.872 1.00 22.12 H new ATOM 0 HG23 THR A 51 -0.726 14.636 -2.881 1.00 22.12 H new ATOM 802 N SER A 52 -3.404 14.938 -4.173 1.00 74.45 N ATOM 803 CA SER A 52 -4.121 13.665 -4.327 1.00 14.31 C ATOM 804 C SER A 52 -3.502 12.797 -5.435 1.00 11.43 C ATOM 805 O SER A 52 -3.651 13.083 -6.624 1.00 14.21 O ATOM 806 CB SER A 52 -5.610 13.909 -4.619 1.00 4.52 C ATOM 807 OG SER A 52 -5.800 14.621 -5.837 1.00 32.13 O ATOM 0 H SER A 52 -3.085 15.352 -5.049 1.00 74.45 H new ATOM 0 HA SER A 52 -4.029 13.126 -3.384 1.00 14.31 H new ATOM 0 HB2 SER A 52 -6.131 12.953 -4.671 1.00 4.52 H new ATOM 0 HB3 SER A 52 -6.054 14.470 -3.797 1.00 4.52 H new ATOM 0 HG SER A 52 -5.059 14.426 -6.449 1.00 32.13 H new ATOM 813 N VAL A 53 -2.792 11.747 -5.032 1.00 62.03 N ATOM 814 CA VAL A 53 -2.215 10.780 -5.973 1.00 20.24 C ATOM 815 C VAL A 53 -2.398 9.351 -5.444 1.00 74.03 C ATOM 816 O VAL A 53 -2.216 9.095 -4.250 1.00 71.44 O ATOM 817 CB VAL A 53 -0.710 11.059 -6.233 1.00 52.51 C ATOM 818 CG1 VAL A 53 0.093 11.020 -4.932 1.00 73.31 C ATOM 819 CG2 VAL A 53 -0.148 10.075 -7.259 1.00 32.34 C ATOM 0 H VAL A 53 -2.599 11.539 -4.052 1.00 62.03 H new ATOM 0 HA VAL A 53 -2.744 10.887 -6.920 1.00 20.24 H new ATOM 0 HB VAL A 53 -0.619 12.064 -6.644 1.00 52.51 H new ATOM 0 HG11 VAL A 53 1.143 11.219 -5.146 1.00 73.31 H new ATOM 0 HG12 VAL A 53 -0.287 11.778 -4.247 1.00 73.31 H new ATOM 0 HG13 VAL A 53 -0.004 10.036 -4.474 1.00 73.31 H new ATOM 0 HG21 VAL A 53 0.908 10.288 -7.427 1.00 32.34 H new ATOM 0 HG22 VAL A 53 -0.258 9.057 -6.885 1.00 32.34 H new ATOM 0 HG23 VAL A 53 -0.692 10.178 -8.198 1.00 32.34 H new ATOM 829 N SER A 54 -2.765 8.421 -6.320 1.00 33.01 N ATOM 830 CA SER A 54 -3.078 7.054 -5.886 1.00 54.32 C ATOM 831 C SER A 54 -2.676 5.992 -6.915 1.00 1.13 C ATOM 832 O SER A 54 -2.454 6.284 -8.093 1.00 73.41 O ATOM 833 CB SER A 54 -4.580 6.928 -5.595 1.00 41.23 C ATOM 834 OG SER A 54 -5.360 7.206 -6.749 1.00 75.11 O ATOM 0 H SER A 54 -2.854 8.580 -7.324 1.00 33.01 H new ATOM 0 HA SER A 54 -2.494 6.873 -4.983 1.00 54.32 H new ATOM 0 HB2 SER A 54 -4.800 5.921 -5.240 1.00 41.23 H new ATOM 0 HB3 SER A 54 -4.855 7.615 -4.795 1.00 41.23 H new ATOM 0 HG SER A 54 -6.305 7.273 -6.497 1.00 75.11 H new ATOM 840 N TYR A 55 -2.570 4.754 -6.439 1.00 22.30 N ATOM 841 CA TYR A 55 -2.368 3.583 -7.296 1.00 13.00 C ATOM 842 C TYR A 55 -3.438 2.525 -6.991 1.00 74.44 C ATOM 843 O TYR A 55 -3.629 2.143 -5.833 1.00 25.51 O ATOM 844 CB TYR A 55 -0.965 2.990 -7.085 1.00 53.11 C ATOM 845 CG TYR A 55 -0.687 1.753 -7.927 1.00 22.41 C ATOM 846 CD1 TYR A 55 -0.333 1.867 -9.267 1.00 61.11 C ATOM 847 CD2 TYR A 55 -0.782 0.474 -7.382 1.00 74.55 C ATOM 848 CE1 TYR A 55 -0.085 0.746 -10.038 1.00 54.30 C ATOM 849 CE2 TYR A 55 -0.534 -0.650 -8.148 1.00 10.01 C ATOM 850 CZ TYR A 55 -0.186 -0.509 -9.475 1.00 30.55 C ATOM 851 OH TYR A 55 0.061 -1.627 -10.245 1.00 72.24 O ATOM 0 H TYR A 55 -2.622 4.531 -5.445 1.00 22.30 H new ATOM 0 HA TYR A 55 -2.456 3.894 -8.337 1.00 13.00 H new ATOM 0 HB2 TYR A 55 -0.220 3.751 -7.318 1.00 53.11 H new ATOM 0 HB3 TYR A 55 -0.843 2.736 -6.032 1.00 53.11 H new ATOM 0 HD1 TYR A 55 -0.250 2.847 -9.713 1.00 61.11 H new ATOM 0 HD2 TYR A 55 -1.054 0.359 -6.343 1.00 74.55 H new ATOM 0 HE1 TYR A 55 0.187 0.853 -11.078 1.00 54.30 H new ATOM 0 HE2 TYR A 55 -0.612 -1.634 -7.709 1.00 10.01 H new ATOM 0 HH TYR A 55 -0.052 -2.432 -9.698 1.00 72.24 H new ATOM 861 N LYS A 56 -4.145 2.068 -8.018 1.00 10.30 N ATOM 862 CA LYS A 56 -5.200 1.069 -7.833 1.00 31.02 C ATOM 863 C LYS A 56 -4.662 -0.360 -8.007 1.00 2.21 C ATOM 864 O LYS A 56 -3.829 -0.624 -8.875 1.00 10.53 O ATOM 865 CB LYS A 56 -6.357 1.319 -8.812 1.00 2.41 C ATOM 866 CG LYS A 56 -7.517 0.341 -8.642 1.00 24.14 C ATOM 867 CD LYS A 56 -8.667 0.637 -9.602 1.00 11.02 C ATOM 868 CE LYS A 56 -9.801 -0.365 -9.433 1.00 75.14 C ATOM 869 NZ LYS A 56 -10.939 -0.081 -10.345 1.00 3.14 N ATOM 0 H LYS A 56 -4.011 2.369 -8.983 1.00 10.30 H new ATOM 0 HA LYS A 56 -5.569 1.168 -6.812 1.00 31.02 H new ATOM 0 HB2 LYS A 56 -6.726 2.336 -8.675 1.00 2.41 H new ATOM 0 HB3 LYS A 56 -5.981 1.251 -9.833 1.00 2.41 H new ATOM 0 HG2 LYS A 56 -7.160 -0.675 -8.808 1.00 24.14 H new ATOM 0 HG3 LYS A 56 -7.882 0.387 -7.616 1.00 24.14 H new ATOM 0 HD2 LYS A 56 -9.041 1.646 -9.425 1.00 11.02 H new ATOM 0 HD3 LYS A 56 -8.303 0.608 -10.629 1.00 11.02 H new ATOM 0 HE2 LYS A 56 -9.427 -1.371 -9.624 1.00 75.14 H new ATOM 0 HE3 LYS A 56 -10.151 -0.345 -8.401 1.00 75.14 H new ATOM 0 HZ1 LYS A 56 -11.688 -0.787 -10.196 1.00 3.14 H new ATOM 0 HZ2 LYS A 56 -11.314 0.869 -10.147 1.00 3.14 H new ATOM 0 HZ3 LYS A 56 -10.613 -0.125 -11.331 1.00 3.14 H new ATOM 883 N TYR A 57 -5.152 -1.273 -7.173 1.00 15.24 N ATOM 884 CA TYR A 57 -4.753 -2.682 -7.227 1.00 40.54 C ATOM 885 C TYR A 57 -5.563 -3.461 -8.278 1.00 13.42 C ATOM 886 O TYR A 57 -6.408 -2.895 -8.975 1.00 4.42 O ATOM 887 CB TYR A 57 -4.918 -3.321 -5.840 1.00 72.44 C ATOM 888 CG TYR A 57 -3.936 -2.790 -4.809 1.00 3.33 C ATOM 889 CD1 TYR A 57 -4.111 -1.540 -4.223 1.00 22.40 C ATOM 890 CD2 TYR A 57 -2.831 -3.540 -4.427 1.00 34.33 C ATOM 891 CE1 TYR A 57 -3.211 -1.058 -3.290 1.00 35.12 C ATOM 892 CE2 TYR A 57 -1.928 -3.064 -3.497 1.00 2.21 C ATOM 893 CZ TYR A 57 -2.121 -1.824 -2.931 1.00 35.43 C ATOM 894 OH TYR A 57 -1.216 -1.347 -2.010 1.00 4.25 O ATOM 0 H TYR A 57 -5.833 -1.062 -6.444 1.00 15.24 H new ATOM 0 HA TYR A 57 -3.705 -2.727 -7.524 1.00 40.54 H new ATOM 0 HB2 TYR A 57 -5.934 -3.146 -5.486 1.00 72.44 H new ATOM 0 HB3 TYR A 57 -4.792 -4.400 -5.928 1.00 72.44 H new ATOM 0 HD1 TYR A 57 -4.963 -0.937 -4.501 1.00 22.40 H new ATOM 0 HD2 TYR A 57 -2.675 -4.514 -4.866 1.00 34.33 H new ATOM 0 HE1 TYR A 57 -3.361 -0.086 -2.844 1.00 35.12 H new ATOM 0 HE2 TYR A 57 -1.074 -3.662 -3.215 1.00 2.21 H new ATOM 0 HH TYR A 57 -1.483 -0.449 -1.724 1.00 4.25 H new ATOM 904 N THR A 58 -5.297 -4.761 -8.387 1.00 3.03 N ATOM 905 CA THR A 58 -5.933 -5.603 -9.410 1.00 41.53 C ATOM 906 C THR A 58 -6.217 -7.020 -8.898 1.00 12.22 C ATOM 907 O THR A 58 -5.489 -7.548 -8.057 1.00 24.35 O ATOM 908 CB THR A 58 -5.055 -5.692 -10.682 1.00 15.35 C ATOM 909 OG1 THR A 58 -5.552 -6.709 -11.566 1.00 40.35 O ATOM 910 CG2 THR A 58 -3.596 -5.977 -10.327 1.00 25.34 C ATOM 0 H THR A 58 -4.645 -5.259 -7.781 1.00 3.03 H new ATOM 0 HA THR A 58 -6.883 -5.126 -9.653 1.00 41.53 H new ATOM 0 HB THR A 58 -5.103 -4.727 -11.187 1.00 15.35 H new ATOM 0 HG1 THR A 58 -4.987 -6.752 -12.366 1.00 40.35 H new ATOM 0 HG21 THR A 58 -3.004 -6.034 -11.240 1.00 25.34 H new ATOM 0 HG22 THR A 58 -3.212 -5.176 -9.695 1.00 25.34 H new ATOM 0 HG23 THR A 58 -3.530 -6.924 -9.792 1.00 25.34 H new ATOM 918 N SER A 59 -7.273 -7.634 -9.428 1.00 51.31 N ATOM 919 CA SER A 59 -7.700 -8.982 -9.009 1.00 73.21 C ATOM 920 C SER A 59 -7.062 -10.080 -9.881 1.00 1.43 C ATOM 921 O SER A 59 -7.507 -11.228 -9.868 1.00 25.13 O ATOM 922 CB SER A 59 -9.232 -9.091 -9.083 1.00 41.14 C ATOM 923 OG SER A 59 -9.696 -10.353 -8.621 1.00 32.14 O ATOM 0 H SER A 59 -7.858 -7.221 -10.155 1.00 51.31 H new ATOM 0 HA SER A 59 -7.366 -9.131 -7.982 1.00 73.21 H new ATOM 0 HB2 SER A 59 -9.682 -8.298 -8.486 1.00 41.14 H new ATOM 0 HB3 SER A 59 -9.558 -8.939 -10.112 1.00 41.14 H new ATOM 0 HG SER A 59 -9.038 -11.045 -8.843 1.00 32.14 H new ATOM 929 N ARG A 60 -6.008 -9.733 -10.623 1.00 21.22 N ATOM 930 CA ARG A 60 -5.329 -10.692 -11.516 1.00 72.10 C ATOM 931 C ARG A 60 -4.493 -11.737 -10.746 1.00 50.41 C ATOM 932 O ARG A 60 -3.833 -12.580 -11.358 1.00 20.32 O ATOM 933 CB ARG A 60 -4.417 -9.952 -12.507 1.00 62.11 C ATOM 934 CG ARG A 60 -3.303 -9.154 -11.842 1.00 14.33 C ATOM 935 CD ARG A 60 -2.298 -8.618 -12.857 1.00 4.11 C ATOM 936 NE ARG A 60 -1.538 -9.692 -13.500 1.00 5.22 N ATOM 937 CZ ARG A 60 -0.390 -9.523 -14.105 1.00 72.34 C ATOM 938 NH1 ARG A 60 0.169 -8.357 -14.165 1.00 14.43 N ATOM 939 NH2 ARG A 60 0.211 -10.534 -14.642 1.00 2.14 N ATOM 0 H ARG A 60 -5.602 -8.797 -10.628 1.00 21.22 H new ATOM 0 HA ARG A 60 -6.116 -11.222 -12.051 1.00 72.10 H new ATOM 0 HB2 ARG A 60 -3.974 -10.677 -13.189 1.00 62.11 H new ATOM 0 HB3 ARG A 60 -5.024 -9.277 -13.110 1.00 62.11 H new ATOM 0 HG2 ARG A 60 -3.735 -8.322 -11.286 1.00 14.33 H new ATOM 0 HG3 ARG A 60 -2.786 -9.786 -11.119 1.00 14.33 H new ATOM 0 HD2 ARG A 60 -2.824 -8.041 -13.618 1.00 4.11 H new ATOM 0 HD3 ARG A 60 -1.610 -7.935 -12.359 1.00 4.11 H new ATOM 0 HE ARG A 60 -1.929 -10.634 -13.475 1.00 5.22 H new ATOM 0 HH11 ARG A 60 -0.286 -7.551 -13.736 1.00 14.43 H new ATOM 0 HH12 ARG A 60 1.064 -8.244 -14.641 1.00 14.43 H new ATOM 0 HH21 ARG A 60 -0.210 -11.462 -14.594 1.00 2.14 H new ATOM 0 HH22 ARG A 60 1.106 -10.404 -15.114 1.00 2.14 H new ATOM 953 N TYR A 61 -4.521 -11.678 -9.416 1.00 13.14 N ATOM 954 CA TYR A 61 -3.759 -12.612 -8.577 1.00 11.30 C ATOM 955 C TYR A 61 -4.479 -12.883 -7.246 1.00 74.55 C ATOM 956 O TYR A 61 -5.388 -12.149 -6.862 1.00 72.44 O ATOM 957 CB TYR A 61 -2.348 -12.062 -8.310 1.00 0.52 C ATOM 958 CG TYR A 61 -2.335 -10.701 -7.627 1.00 20.20 C ATOM 959 CD1 TYR A 61 -2.327 -10.590 -6.239 1.00 64.32 C ATOM 960 CD2 TYR A 61 -2.337 -9.529 -8.374 1.00 73.35 C ATOM 961 CE1 TYR A 61 -2.321 -9.353 -5.621 1.00 71.03 C ATOM 962 CE2 TYR A 61 -2.330 -8.290 -7.764 1.00 12.43 C ATOM 963 CZ TYR A 61 -2.324 -8.206 -6.389 1.00 44.31 C ATOM 964 OH TYR A 61 -2.325 -6.970 -5.780 1.00 71.22 O ATOM 0 H TYR A 61 -5.064 -10.992 -8.891 1.00 13.14 H new ATOM 0 HA TYR A 61 -3.679 -13.555 -9.117 1.00 11.30 H new ATOM 0 HB2 TYR A 61 -1.803 -12.774 -7.690 1.00 0.52 H new ATOM 0 HB3 TYR A 61 -1.813 -11.988 -9.257 1.00 0.52 H new ATOM 0 HD1 TYR A 61 -2.325 -11.485 -5.635 1.00 64.32 H new ATOM 0 HD2 TYR A 61 -2.344 -9.588 -9.452 1.00 73.35 H new ATOM 0 HE1 TYR A 61 -2.314 -9.285 -4.543 1.00 71.03 H new ATOM 0 HE2 TYR A 61 -2.329 -7.391 -8.362 1.00 12.43 H new ATOM 0 HH TYR A 61 -2.743 -7.041 -4.897 1.00 71.22 H new ATOM 974 N VAL A 62 -4.063 -13.939 -6.545 1.00 32.11 N ATOM 975 CA VAL A 62 -4.648 -14.292 -5.242 1.00 50.15 C ATOM 976 C VAL A 62 -3.630 -14.104 -4.102 1.00 11.02 C ATOM 977 O VAL A 62 -2.575 -14.737 -4.086 1.00 61.32 O ATOM 978 CB VAL A 62 -5.168 -15.756 -5.229 1.00 42.42 C ATOM 979 CG1 VAL A 62 -5.807 -16.096 -3.883 1.00 51.50 C ATOM 980 CG2 VAL A 62 -6.159 -15.986 -6.372 1.00 72.14 C ATOM 0 H VAL A 62 -3.322 -14.568 -6.855 1.00 32.11 H new ATOM 0 HA VAL A 62 -5.489 -13.618 -5.083 1.00 50.15 H new ATOM 0 HB VAL A 62 -4.316 -16.420 -5.375 1.00 42.42 H new ATOM 0 HG11 VAL A 62 -6.163 -17.126 -3.899 1.00 51.50 H new ATOM 0 HG12 VAL A 62 -5.068 -15.980 -3.090 1.00 51.50 H new ATOM 0 HG13 VAL A 62 -6.646 -15.425 -3.699 1.00 51.50 H new ATOM 0 HG21 VAL A 62 -6.512 -17.017 -6.346 1.00 72.14 H new ATOM 0 HG22 VAL A 62 -7.006 -15.310 -6.260 1.00 72.14 H new ATOM 0 HG23 VAL A 62 -5.666 -15.795 -7.325 1.00 72.14 H new ATOM 990 N LEU A 63 -3.955 -13.226 -3.156 1.00 11.24 N ATOM 991 CA LEU A 63 -3.081 -12.954 -2.009 1.00 53.34 C ATOM 992 C LEU A 63 -3.500 -13.819 -0.804 1.00 51.14 C ATOM 993 O LEU A 63 -4.612 -13.686 -0.282 1.00 42.11 O ATOM 994 CB LEU A 63 -3.136 -11.453 -1.654 1.00 0.42 C ATOM 995 CG LEU A 63 -1.847 -10.846 -1.054 1.00 64.43 C ATOM 996 CD1 LEU A 63 -1.481 -11.509 0.271 1.00 3.23 C ATOM 997 CD2 LEU A 63 -0.693 -10.947 -2.052 1.00 3.44 C ATOM 0 H LEU A 63 -4.821 -12.687 -3.158 1.00 11.24 H new ATOM 0 HA LEU A 63 -2.055 -13.211 -2.271 1.00 53.34 H new ATOM 0 HB2 LEU A 63 -3.389 -10.897 -2.556 1.00 0.42 H new ATOM 0 HB3 LEU A 63 -3.950 -11.298 -0.945 1.00 0.42 H new ATOM 0 HG LEU A 63 -2.037 -9.792 -0.850 1.00 64.43 H new ATOM 0 HD11 LEU A 63 -0.570 -11.058 0.664 1.00 3.23 H new ATOM 0 HD12 LEU A 63 -2.293 -11.369 0.985 1.00 3.23 H new ATOM 0 HD13 LEU A 63 -1.318 -12.575 0.112 1.00 3.23 H new ATOM 0 HD21 LEU A 63 0.206 -10.515 -1.613 1.00 3.44 H new ATOM 0 HD22 LEU A 63 -0.512 -11.994 -2.294 1.00 3.44 H new ATOM 0 HD23 LEU A 63 -0.950 -10.404 -2.961 1.00 3.44 H new ATOM 1009 N LYS A 64 -2.603 -14.702 -0.372 1.00 65.33 N ATOM 1010 CA LYS A 64 -2.881 -15.637 0.728 1.00 72.44 C ATOM 1011 C LYS A 64 -3.261 -14.919 2.036 1.00 71.33 C ATOM 1012 O LYS A 64 -2.868 -13.773 2.275 1.00 15.10 O ATOM 1013 CB LYS A 64 -1.659 -16.531 0.976 1.00 33.10 C ATOM 1014 CG LYS A 64 -1.255 -17.380 -0.226 1.00 51.01 C ATOM 1015 CD LYS A 64 0.013 -18.186 0.052 1.00 42.33 C ATOM 1016 CE LYS A 64 1.211 -17.280 0.317 1.00 74.21 C ATOM 1017 NZ LYS A 64 2.430 -18.053 0.670 1.00 12.21 N ATOM 0 H LYS A 64 -1.667 -14.794 -0.768 1.00 65.33 H new ATOM 0 HA LYS A 64 -3.737 -16.239 0.423 1.00 72.44 H new ATOM 0 HB2 LYS A 64 -0.816 -15.904 1.264 1.00 33.10 H new ATOM 0 HB3 LYS A 64 -1.869 -17.190 1.819 1.00 33.10 H new ATOM 0 HG2 LYS A 64 -2.069 -18.059 -0.482 1.00 51.01 H new ATOM 0 HG3 LYS A 64 -1.094 -16.735 -1.090 1.00 51.01 H new ATOM 0 HD2 LYS A 64 -0.150 -18.835 0.912 1.00 42.33 H new ATOM 0 HD3 LYS A 64 0.227 -18.833 -0.799 1.00 42.33 H new ATOM 0 HE2 LYS A 64 1.410 -16.675 -0.567 1.00 74.21 H new ATOM 0 HE3 LYS A 64 0.972 -16.591 1.127 1.00 74.21 H new ATOM 0 HZ1 LYS A 64 3.219 -17.398 0.842 1.00 12.21 H new ATOM 0 HZ2 LYS A 64 2.250 -18.611 1.529 1.00 12.21 H new ATOM 0 HZ3 LYS A 64 2.675 -18.692 -0.113 1.00 12.21 H new ATOM 1031 N ALA A 65 -4.027 -15.605 2.881 1.00 33.13 N ATOM 1032 CA ALA A 65 -4.422 -15.066 4.189 1.00 42.23 C ATOM 1033 C ALA A 65 -3.228 -15.004 5.154 1.00 23.23 C ATOM 1034 O ALA A 65 -2.465 -15.967 5.283 1.00 61.32 O ATOM 1035 CB ALA A 65 -5.547 -15.905 4.786 1.00 23.15 C ATOM 0 H ALA A 65 -4.390 -16.538 2.687 1.00 33.13 H new ATOM 0 HA ALA A 65 -4.780 -14.048 4.039 1.00 42.23 H new ATOM 0 HB1 ALA A 65 -5.831 -15.496 5.755 1.00 23.15 H new ATOM 0 HB2 ALA A 65 -6.408 -15.887 4.118 1.00 23.15 H new ATOM 0 HB3 ALA A 65 -5.207 -16.933 4.912 1.00 23.15 H new ATOM 1041 N GLY A 66 -3.070 -13.867 5.829 1.00 51.04 N ATOM 1042 CA GLY A 66 -1.946 -13.680 6.741 1.00 3.25 C ATOM 1043 C GLY A 66 -0.624 -13.426 6.018 1.00 65.52 C ATOM 1044 O GLY A 66 0.451 -13.588 6.594 1.00 72.11 O ATOM 0 H GLY A 66 -3.701 -13.068 5.762 1.00 51.04 H new ATOM 0 HA2 GLY A 66 -2.159 -12.840 7.403 1.00 3.25 H new ATOM 0 HA3 GLY A 66 -1.845 -14.564 7.370 1.00 3.25 H new ATOM 1048 N GLN A 67 -0.707 -13.036 4.749 1.00 11.33 N ATOM 1049 CA GLN A 67 0.483 -12.763 3.934 1.00 42.14 C ATOM 1050 C GLN A 67 0.575 -11.269 3.587 1.00 21.11 C ATOM 1051 O GLN A 67 -0.448 -10.600 3.423 1.00 54.12 O ATOM 1052 CB GLN A 67 0.434 -13.601 2.645 1.00 34.44 C ATOM 1053 CG GLN A 67 1.724 -13.574 1.831 1.00 42.44 C ATOM 1054 CD GLN A 67 2.897 -14.216 2.554 1.00 10.21 C ATOM 1055 OE1 GLN A 67 4.038 -13.814 2.378 1.00 22.24 O ATOM 1056 NE2 GLN A 67 2.632 -15.224 3.366 1.00 15.23 N ATOM 0 H GLN A 67 -1.590 -12.900 4.256 1.00 11.33 H new ATOM 0 HA GLN A 67 1.368 -13.036 4.509 1.00 42.14 H new ATOM 0 HB2 GLN A 67 0.204 -14.634 2.905 1.00 34.44 H new ATOM 0 HB3 GLN A 67 -0.384 -13.240 2.021 1.00 34.44 H new ATOM 0 HG2 GLN A 67 1.561 -14.090 0.885 1.00 42.44 H new ATOM 0 HG3 GLN A 67 1.974 -12.541 1.591 1.00 42.44 H new ATOM 0 HE21 GLN A 67 1.670 -15.537 3.493 1.00 15.23 H new ATOM 0 HE22 GLN A 67 3.390 -15.689 3.866 1.00 15.23 H new ATOM 1065 N THR A 68 1.794 -10.746 3.479 1.00 5.41 N ATOM 1066 CA THR A 68 2.002 -9.323 3.175 1.00 63.14 C ATOM 1067 C THR A 68 2.231 -9.079 1.674 1.00 71.41 C ATOM 1068 O THR A 68 2.376 -10.017 0.886 1.00 33.10 O ATOM 1069 CB THR A 68 3.212 -8.748 3.952 1.00 60.24 C ATOM 1070 OG1 THR A 68 4.431 -9.337 3.478 1.00 25.35 O ATOM 1071 CG2 THR A 68 3.075 -8.998 5.452 1.00 31.22 C ATOM 0 H THR A 68 2.655 -11.281 3.596 1.00 5.41 H new ATOM 0 HA THR A 68 1.088 -8.816 3.485 1.00 63.14 H new ATOM 0 HB THR A 68 3.236 -7.672 3.781 1.00 60.24 H new ATOM 0 HG1 THR A 68 5.132 -9.225 4.153 1.00 25.35 H new ATOM 0 HG21 THR A 68 3.939 -8.583 5.970 1.00 31.22 H new ATOM 0 HG22 THR A 68 2.167 -8.519 5.819 1.00 31.22 H new ATOM 0 HG23 THR A 68 3.020 -10.071 5.639 1.00 31.22 H new ATOM 1079 N VAL A 69 2.251 -7.805 1.285 1.00 30.25 N ATOM 1080 CA VAL A 69 2.545 -7.409 -0.099 1.00 22.54 C ATOM 1081 C VAL A 69 3.329 -6.084 -0.130 1.00 55.45 C ATOM 1082 O VAL A 69 2.881 -5.068 0.409 1.00 41.03 O ATOM 1083 CB VAL A 69 1.252 -7.292 -0.953 1.00 1.03 C ATOM 1084 CG1 VAL A 69 0.255 -6.316 -0.325 1.00 64.13 C ATOM 1085 CG2 VAL A 69 1.586 -6.886 -2.390 1.00 61.41 C ATOM 0 H VAL A 69 2.066 -7.021 1.911 1.00 30.25 H new ATOM 0 HA VAL A 69 3.161 -8.194 -0.538 1.00 22.54 H new ATOM 0 HB VAL A 69 0.779 -8.274 -0.978 1.00 1.03 H new ATOM 0 HG11 VAL A 69 -0.638 -6.257 -0.947 1.00 64.13 H new ATOM 0 HG12 VAL A 69 -0.019 -6.666 0.670 1.00 64.13 H new ATOM 0 HG13 VAL A 69 0.710 -5.329 -0.250 1.00 64.13 H new ATOM 0 HG21 VAL A 69 0.666 -6.810 -2.970 1.00 61.41 H new ATOM 0 HG22 VAL A 69 2.094 -5.921 -2.387 1.00 61.41 H new ATOM 0 HG23 VAL A 69 2.237 -7.637 -2.838 1.00 61.41 H new ATOM 1095 N THR A 70 4.507 -6.104 -0.748 1.00 43.22 N ATOM 1096 CA THR A 70 5.402 -4.936 -0.758 1.00 11.11 C ATOM 1097 C THR A 70 5.224 -4.069 -2.016 1.00 73.11 C ATOM 1098 O THR A 70 5.325 -4.555 -3.144 1.00 21.41 O ATOM 1099 CB THR A 70 6.886 -5.369 -0.641 1.00 1.31 C ATOM 1100 OG1 THR A 70 7.080 -6.126 0.567 1.00 15.41 O ATOM 1101 CG2 THR A 70 7.822 -4.162 -0.632 1.00 14.44 C ATOM 0 H THR A 70 4.870 -6.914 -1.251 1.00 43.22 H new ATOM 0 HA THR A 70 5.127 -4.336 0.109 1.00 11.11 H new ATOM 0 HB THR A 70 7.123 -5.982 -1.510 1.00 1.31 H new ATOM 0 HG1 THR A 70 8.019 -6.399 0.635 1.00 15.41 H new ATOM 0 HG21 THR A 70 8.854 -4.503 -0.549 1.00 14.44 H new ATOM 0 HG22 THR A 70 7.699 -3.599 -1.557 1.00 14.44 H new ATOM 0 HG23 THR A 70 7.582 -3.522 0.217 1.00 14.44 H new ATOM 1109 N ILE A 71 4.948 -2.785 -1.801 1.00 32.13 N ATOM 1110 CA ILE A 71 4.842 -1.799 -2.881 1.00 1.41 C ATOM 1111 C ILE A 71 6.181 -1.068 -3.076 1.00 54.11 C ATOM 1112 O ILE A 71 6.823 -0.674 -2.106 1.00 34.52 O ATOM 1113 CB ILE A 71 3.743 -0.746 -2.567 1.00 5.51 C ATOM 1114 CG1 ILE A 71 2.427 -1.436 -2.158 1.00 21.02 C ATOM 1115 CG2 ILE A 71 3.521 0.183 -3.765 1.00 20.34 C ATOM 1116 CD1 ILE A 71 1.817 -2.302 -3.239 1.00 22.31 C ATOM 0 H ILE A 71 4.791 -2.395 -0.872 1.00 32.13 H new ATOM 0 HA ILE A 71 4.578 -2.338 -3.791 1.00 1.41 H new ATOM 0 HB ILE A 71 4.084 -0.140 -1.728 1.00 5.51 H new ATOM 0 HG12 ILE A 71 2.611 -2.051 -1.277 1.00 21.02 H new ATOM 0 HG13 ILE A 71 1.704 -0.673 -1.869 1.00 21.02 H new ATOM 0 HG21 ILE A 71 2.748 0.912 -3.522 1.00 20.34 H new ATOM 0 HG22 ILE A 71 4.450 0.704 -3.999 1.00 20.34 H new ATOM 0 HG23 ILE A 71 3.208 -0.405 -4.628 1.00 20.34 H new ATOM 0 HD11 ILE A 71 0.895 -2.750 -2.869 1.00 22.31 H new ATOM 0 HD12 ILE A 71 1.598 -1.691 -4.114 1.00 22.31 H new ATOM 0 HD13 ILE A 71 2.518 -3.090 -3.513 1.00 22.31 H new ATOM 1128 N TRP A 72 6.600 -0.881 -4.324 1.00 0.10 N ATOM 1129 CA TRP A 72 7.869 -0.190 -4.618 1.00 30.41 C ATOM 1130 C TRP A 72 7.646 1.107 -5.411 1.00 13.30 C ATOM 1131 O TRP A 72 6.515 1.465 -5.730 1.00 54.13 O ATOM 1132 CB TRP A 72 8.811 -1.120 -5.398 1.00 44.14 C ATOM 1133 CG TRP A 72 9.262 -2.313 -4.608 1.00 42.32 C ATOM 1134 CD1 TRP A 72 8.625 -3.517 -4.501 1.00 51.34 C ATOM 1135 CD2 TRP A 72 10.446 -2.411 -3.807 1.00 41.30 C ATOM 1136 NE1 TRP A 72 9.343 -4.359 -3.688 1.00 34.51 N ATOM 1137 CE2 TRP A 72 10.465 -3.702 -3.248 1.00 3.12 C ATOM 1138 CE3 TRP A 72 11.493 -1.531 -3.506 1.00 45.40 C ATOM 1139 CZ2 TRP A 72 11.489 -4.134 -2.408 1.00 40.04 C ATOM 1140 CZ3 TRP A 72 12.510 -1.962 -2.675 1.00 41.23 C ATOM 1141 CH2 TRP A 72 12.501 -3.252 -2.133 1.00 14.32 C ATOM 0 H TRP A 72 6.089 -1.193 -5.150 1.00 0.10 H new ATOM 0 HA TRP A 72 8.324 0.076 -3.664 1.00 30.41 H new ATOM 0 HB2 TRP A 72 8.306 -1.462 -6.301 1.00 44.14 H new ATOM 0 HB3 TRP A 72 9.686 -0.554 -5.717 1.00 44.14 H new ATOM 0 HD1 TRP A 72 7.693 -3.769 -4.985 1.00 51.34 H new ATOM 0 HE1 TRP A 72 9.085 -5.317 -3.450 1.00 34.51 H new ATOM 0 HE3 TRP A 72 11.506 -0.532 -3.916 1.00 45.40 H new ATOM 0 HZ2 TRP A 72 11.485 -5.129 -1.988 1.00 40.04 H new ATOM 0 HZ3 TRP A 72 13.324 -1.293 -2.440 1.00 41.23 H new ATOM 0 HH2 TRP A 72 13.308 -3.559 -1.485 1.00 14.32 H new ATOM 1152 N ALA A 73 8.734 1.816 -5.717 1.00 3.34 N ATOM 1153 CA ALA A 73 8.666 3.034 -6.536 1.00 45.30 C ATOM 1154 C ALA A 73 8.679 2.702 -8.040 1.00 1.32 C ATOM 1155 O ALA A 73 9.178 1.647 -8.435 1.00 64.40 O ATOM 1156 CB ALA A 73 9.825 3.962 -6.190 1.00 10.14 C ATOM 0 H ALA A 73 9.675 1.570 -5.411 1.00 3.34 H new ATOM 0 HA ALA A 73 7.725 3.537 -6.314 1.00 45.30 H new ATOM 0 HB1 ALA A 73 9.766 4.862 -6.802 1.00 10.14 H new ATOM 0 HB2 ALA A 73 9.770 4.236 -5.136 1.00 10.14 H new ATOM 0 HB3 ALA A 73 10.769 3.453 -6.384 1.00 10.14 H new ATOM 1162 N ALA A 74 8.145 3.619 -8.865 1.00 22.42 N ATOM 1163 CA ALA A 74 8.032 3.423 -10.328 1.00 51.13 C ATOM 1164 C ALA A 74 9.262 2.734 -10.949 1.00 70.03 C ATOM 1165 O ALA A 74 9.130 1.820 -11.764 1.00 54.01 O ATOM 1166 CB ALA A 74 7.782 4.759 -11.015 1.00 20.34 C ATOM 0 H ALA A 74 7.780 4.515 -8.542 1.00 22.42 H new ATOM 0 HA ALA A 74 7.186 2.754 -10.487 1.00 51.13 H new ATOM 0 HB1 ALA A 74 7.700 4.605 -12.091 1.00 20.34 H new ATOM 0 HB2 ALA A 74 6.856 5.194 -10.639 1.00 20.34 H new ATOM 0 HB3 ALA A 74 8.611 5.436 -10.807 1.00 20.34 H new ATOM 1172 N ASN A 75 10.454 3.190 -10.575 1.00 12.02 N ATOM 1173 CA ASN A 75 11.703 2.544 -11.003 1.00 2.52 C ATOM 1174 C ASN A 75 12.610 2.268 -9.795 1.00 61.41 C ATOM 1175 O ASN A 75 13.596 2.969 -9.566 1.00 21.31 O ATOM 1176 CB ASN A 75 12.436 3.399 -12.046 1.00 35.35 C ATOM 1177 CG ASN A 75 11.710 3.453 -13.380 1.00 54.33 C ATOM 1178 OD1 ASN A 75 11.966 2.657 -14.277 1.00 5.00 O ATOM 1179 ND2 ASN A 75 10.801 4.394 -13.523 1.00 32.34 N ATOM 0 H ASN A 75 10.587 4.005 -9.976 1.00 12.02 H new ATOM 0 HA ASN A 75 11.448 1.591 -11.468 1.00 2.52 H new ATOM 0 HB2 ASN A 75 12.554 4.412 -11.661 1.00 35.35 H new ATOM 0 HB3 ASN A 75 13.438 2.997 -12.199 1.00 35.35 H new ATOM 0 HD21 ASN A 75 10.286 4.477 -14.400 1.00 32.34 H new ATOM 0 HD22 ASN A 75 10.612 5.041 -12.757 1.00 32.34 H new ATOM 1186 N ALA A 76 12.245 1.257 -9.007 1.00 31.13 N ATOM 1187 CA ALA A 76 13.023 0.865 -7.823 1.00 51.31 C ATOM 1188 C ALA A 76 14.218 -0.037 -8.187 1.00 44.22 C ATOM 1189 O ALA A 76 15.015 -0.408 -7.323 1.00 12.21 O ATOM 1190 CB ALA A 76 12.121 0.164 -6.812 1.00 52.30 C ATOM 0 H ALA A 76 11.412 0.690 -9.165 1.00 31.13 H new ATOM 0 HA ALA A 76 13.427 1.775 -7.380 1.00 51.31 H new ATOM 0 HB1 ALA A 76 12.707 -0.122 -5.939 1.00 52.30 H new ATOM 0 HB2 ALA A 76 11.322 0.840 -6.507 1.00 52.30 H new ATOM 0 HB3 ALA A 76 11.689 -0.727 -7.267 1.00 52.30 H new ATOM 1196 N GLY A 77 14.337 -0.387 -9.467 1.00 44.43 N ATOM 1197 CA GLY A 77 15.433 -1.240 -9.924 1.00 75.41 C ATOM 1198 C GLY A 77 14.972 -2.635 -10.342 1.00 44.15 C ATOM 1199 O GLY A 77 15.436 -3.178 -11.345 1.00 14.21 O ATOM 0 H GLY A 77 13.692 -0.095 -10.202 1.00 44.43 H new ATOM 0 HA2 GLY A 77 15.931 -0.761 -10.767 1.00 75.41 H new ATOM 0 HA3 GLY A 77 16.171 -1.331 -9.127 1.00 75.41 H new ATOM 1203 N VAL A 78 14.061 -3.220 -9.566 1.00 32.04 N ATOM 1204 CA VAL A 78 13.513 -4.547 -9.874 1.00 23.23 C ATOM 1205 C VAL A 78 12.448 -4.488 -10.985 1.00 22.23 C ATOM 1206 O VAL A 78 12.044 -3.410 -11.420 1.00 30.54 O ATOM 1207 CB VAL A 78 12.902 -5.213 -8.611 1.00 51.33 C ATOM 1208 CG1 VAL A 78 13.974 -5.429 -7.545 1.00 74.03 C ATOM 1209 CG2 VAL A 78 11.741 -4.381 -8.059 1.00 12.04 C ATOM 0 H VAL A 78 13.684 -2.798 -8.717 1.00 32.04 H new ATOM 0 HA VAL A 78 14.349 -5.150 -10.228 1.00 23.23 H new ATOM 0 HB VAL A 78 12.507 -6.187 -8.899 1.00 51.33 H new ATOM 0 HG11 VAL A 78 13.526 -5.897 -6.668 1.00 74.03 H new ATOM 0 HG12 VAL A 78 14.756 -6.076 -7.942 1.00 74.03 H new ATOM 0 HG13 VAL A 78 14.406 -4.469 -7.263 1.00 74.03 H new ATOM 0 HG21 VAL A 78 11.331 -4.870 -7.175 1.00 12.04 H new ATOM 0 HG22 VAL A 78 12.101 -3.388 -7.791 1.00 12.04 H new ATOM 0 HG23 VAL A 78 10.964 -4.293 -8.818 1.00 12.04 H new ATOM 1219 N THR A 79 11.998 -5.660 -11.435 1.00 11.01 N ATOM 1220 CA THR A 79 10.989 -5.757 -12.503 1.00 35.14 C ATOM 1221 C THR A 79 9.648 -5.138 -12.086 1.00 52.41 C ATOM 1222 O THR A 79 9.190 -5.338 -10.960 1.00 54.22 O ATOM 1223 CB THR A 79 10.731 -7.226 -12.897 1.00 51.35 C ATOM 1224 OG1 THR A 79 10.231 -7.955 -11.763 1.00 32.23 O ATOM 1225 CG2 THR A 79 12.003 -7.890 -13.412 1.00 14.23 C ATOM 0 H THR A 79 12.315 -6.561 -11.078 1.00 11.01 H new ATOM 0 HA THR A 79 11.396 -5.205 -13.350 1.00 35.14 H new ATOM 0 HB THR A 79 9.991 -7.237 -13.697 1.00 51.35 H new ATOM 0 HG1 THR A 79 10.067 -8.887 -12.019 1.00 32.23 H new ATOM 0 HG21 THR A 79 11.790 -8.924 -13.682 1.00 14.23 H new ATOM 0 HG22 THR A 79 12.364 -7.353 -14.289 1.00 14.23 H new ATOM 0 HG23 THR A 79 12.766 -7.868 -12.634 1.00 14.23 H new ATOM 1233 N ALA A 80 9.007 -4.426 -13.014 1.00 62.23 N ATOM 1234 CA ALA A 80 7.724 -3.752 -12.750 1.00 60.43 C ATOM 1235 C ALA A 80 6.652 -4.706 -12.184 1.00 52.13 C ATOM 1236 O ALA A 80 5.952 -4.368 -11.228 1.00 31.41 O ATOM 1237 CB ALA A 80 7.216 -3.087 -14.026 1.00 33.32 C ATOM 0 H ALA A 80 9.355 -4.298 -13.964 1.00 62.23 H new ATOM 0 HA ALA A 80 7.909 -2.997 -11.986 1.00 60.43 H new ATOM 0 HB1 ALA A 80 6.267 -2.590 -13.824 1.00 33.32 H new ATOM 0 HB2 ALA A 80 7.945 -2.352 -14.368 1.00 33.32 H new ATOM 0 HB3 ALA A 80 7.073 -3.843 -14.798 1.00 33.32 H new ATOM 1243 N SER A 81 6.515 -5.893 -12.780 1.00 61.24 N ATOM 1244 CA SER A 81 5.544 -6.889 -12.298 1.00 5.01 C ATOM 1245 C SER A 81 6.124 -8.316 -12.338 1.00 42.10 C ATOM 1246 O SER A 81 6.171 -8.952 -13.391 1.00 64.11 O ATOM 1247 CB SER A 81 4.240 -6.827 -13.118 1.00 45.22 C ATOM 1248 OG SER A 81 4.452 -7.146 -14.488 1.00 35.43 O ATOM 0 H SER A 81 7.058 -6.190 -13.591 1.00 61.24 H new ATOM 0 HA SER A 81 5.321 -6.644 -11.260 1.00 5.01 H new ATOM 0 HB2 SER A 81 3.513 -7.519 -12.694 1.00 45.22 H new ATOM 0 HB3 SER A 81 3.812 -5.828 -13.041 1.00 45.22 H new ATOM 0 HG SER A 81 5.037 -7.929 -14.555 1.00 35.43 H new ATOM 1254 N PRO A 82 6.613 -8.824 -11.183 1.00 72.52 N ATOM 1255 CA PRO A 82 7.108 -10.214 -11.059 1.00 43.25 C ATOM 1256 C PRO A 82 6.119 -11.319 -11.538 1.00 54.01 C ATOM 1257 O PRO A 82 6.549 -12.262 -12.206 1.00 12.44 O ATOM 1258 CB PRO A 82 7.417 -10.346 -9.559 1.00 5.14 C ATOM 1259 CG PRO A 82 7.707 -8.948 -9.118 1.00 13.23 C ATOM 1260 CD PRO A 82 6.789 -8.066 -9.926 1.00 13.02 C ATOM 0 HA PRO A 82 7.966 -10.375 -11.712 1.00 43.25 H new ATOM 0 HB2 PRO A 82 6.572 -10.768 -9.014 1.00 5.14 H new ATOM 0 HB3 PRO A 82 8.269 -11.003 -9.385 1.00 5.14 H new ATOM 0 HG2 PRO A 82 7.525 -8.829 -8.050 1.00 13.23 H new ATOM 0 HG3 PRO A 82 8.752 -8.691 -9.294 1.00 13.23 H new ATOM 0 HD2 PRO A 82 5.839 -7.902 -9.418 1.00 13.02 H new ATOM 0 HD3 PRO A 82 7.228 -7.085 -10.106 1.00 13.02 H new ATOM 1268 N PRO A 83 4.788 -11.266 -11.225 1.00 2.23 N ATOM 1269 CA PRO A 83 4.135 -10.256 -10.386 1.00 74.10 C ATOM 1270 C PRO A 83 3.892 -10.718 -8.932 1.00 71.32 C ATOM 1271 O PRO A 83 3.059 -11.586 -8.667 1.00 20.33 O ATOM 1272 CB PRO A 83 2.802 -10.060 -11.121 1.00 52.54 C ATOM 1273 CG PRO A 83 2.508 -11.385 -11.775 1.00 42.03 C ATOM 1274 CD PRO A 83 3.781 -12.213 -11.728 1.00 21.32 C ATOM 0 HA PRO A 83 4.741 -9.358 -10.271 1.00 74.10 H new ATOM 0 HB2 PRO A 83 2.009 -9.779 -10.428 1.00 52.54 H new ATOM 0 HB3 PRO A 83 2.875 -9.264 -11.862 1.00 52.54 H new ATOM 0 HG2 PRO A 83 1.699 -11.897 -11.255 1.00 42.03 H new ATOM 0 HG3 PRO A 83 2.183 -11.240 -12.805 1.00 42.03 H new ATOM 0 HD2 PRO A 83 3.675 -13.074 -11.069 1.00 21.32 H new ATOM 0 HD3 PRO A 83 4.047 -12.596 -12.713 1.00 21.32 H new ATOM 1282 N THR A 84 4.638 -10.127 -8.000 1.00 20.12 N ATOM 1283 CA THR A 84 4.490 -10.392 -6.560 1.00 55.32 C ATOM 1284 C THR A 84 4.608 -9.075 -5.782 1.00 22.04 C ATOM 1285 O THR A 84 3.651 -8.612 -5.160 1.00 1.12 O ATOM 1286 CB THR A 84 5.562 -11.385 -6.040 1.00 72.33 C ATOM 1287 OG1 THR A 84 6.875 -10.893 -6.342 1.00 10.01 O ATOM 1288 CG2 THR A 84 5.384 -12.771 -6.657 1.00 21.54 C ATOM 0 H THR A 84 5.367 -9.447 -8.218 1.00 20.12 H new ATOM 0 HA THR A 84 3.509 -10.842 -6.406 1.00 55.32 H new ATOM 0 HB THR A 84 5.440 -11.471 -4.960 1.00 72.33 H new ATOM 0 HG1 THR A 84 7.546 -11.525 -6.009 1.00 10.01 H new ATOM 0 HG21 THR A 84 6.151 -13.442 -6.271 1.00 21.54 H new ATOM 0 HG22 THR A 84 4.399 -13.160 -6.400 1.00 21.54 H new ATOM 0 HG23 THR A 84 5.475 -12.701 -7.741 1.00 21.54 H new ATOM 1296 N ASP A 85 5.800 -8.482 -5.822 1.00 23.21 N ATOM 1297 CA ASP A 85 6.002 -7.109 -5.357 1.00 20.51 C ATOM 1298 C ASP A 85 5.388 -6.123 -6.366 1.00 63.54 C ATOM 1299 O ASP A 85 5.633 -6.224 -7.570 1.00 74.23 O ATOM 1300 CB ASP A 85 7.498 -6.822 -5.187 1.00 3.32 C ATOM 1301 CG ASP A 85 8.142 -7.700 -4.131 1.00 32.23 C ATOM 1302 OD1 ASP A 85 8.364 -8.898 -4.400 1.00 24.31 O ATOM 1303 OD2 ASP A 85 8.431 -7.197 -3.026 1.00 24.11 O ATOM 0 H ASP A 85 6.645 -8.933 -6.173 1.00 23.21 H new ATOM 0 HA ASP A 85 5.511 -6.986 -4.392 1.00 20.51 H new ATOM 0 HB2 ASP A 85 8.004 -6.975 -6.140 1.00 3.32 H new ATOM 0 HB3 ASP A 85 7.635 -5.775 -4.917 1.00 3.32 H new ATOM 1308 N LEU A 86 4.592 -5.177 -5.879 1.00 50.33 N ATOM 1309 CA LEU A 86 3.859 -4.260 -6.759 1.00 23.03 C ATOM 1310 C LEU A 86 4.552 -2.895 -6.869 1.00 44.14 C ATOM 1311 O LEU A 86 4.556 -2.105 -5.925 1.00 40.43 O ATOM 1312 CB LEU A 86 2.422 -4.084 -6.253 1.00 35.05 C ATOM 1313 CG LEU A 86 1.593 -5.377 -6.167 1.00 42.11 C ATOM 1314 CD1 LEU A 86 0.197 -5.085 -5.622 1.00 61.52 C ATOM 1315 CD2 LEU A 86 1.510 -6.062 -7.533 1.00 0.53 C ATOM 0 H LEU A 86 4.435 -5.021 -4.883 1.00 50.33 H new ATOM 0 HA LEU A 86 3.843 -4.700 -7.756 1.00 23.03 H new ATOM 0 HB2 LEU A 86 2.456 -3.627 -5.264 1.00 35.05 H new ATOM 0 HB3 LEU A 86 1.906 -3.384 -6.910 1.00 35.05 H new ATOM 0 HG LEU A 86 2.093 -6.057 -5.478 1.00 42.11 H new ATOM 0 HD11 LEU A 86 -0.374 -6.012 -5.569 1.00 61.52 H new ATOM 0 HD12 LEU A 86 0.279 -4.651 -4.625 1.00 61.52 H new ATOM 0 HD13 LEU A 86 -0.312 -4.383 -6.282 1.00 61.52 H new ATOM 0 HD21 LEU A 86 0.919 -6.974 -7.447 1.00 0.53 H new ATOM 0 HD22 LEU A 86 1.038 -5.389 -8.249 1.00 0.53 H new ATOM 0 HD23 LEU A 86 2.514 -6.311 -7.877 1.00 0.53 H new ATOM 1327 N ILE A 87 5.141 -2.628 -8.026 1.00 23.43 N ATOM 1328 CA ILE A 87 5.798 -1.347 -8.289 1.00 12.11 C ATOM 1329 C ILE A 87 4.766 -0.243 -8.587 1.00 55.41 C ATOM 1330 O ILE A 87 3.855 -0.427 -9.398 1.00 42.53 O ATOM 1331 CB ILE A 87 6.804 -1.474 -9.471 1.00 42.43 C ATOM 1332 CG1 ILE A 87 8.094 -2.198 -9.027 1.00 62.23 C ATOM 1333 CG2 ILE A 87 7.139 -0.108 -10.062 1.00 44.11 C ATOM 1334 CD1 ILE A 87 7.888 -3.624 -8.554 1.00 30.23 C ATOM 0 H ILE A 87 5.179 -3.284 -8.806 1.00 23.43 H new ATOM 0 HA ILE A 87 6.348 -1.068 -7.390 1.00 12.11 H new ATOM 0 HB ILE A 87 6.323 -2.071 -10.246 1.00 42.43 H new ATOM 0 HG12 ILE A 87 8.797 -2.204 -9.860 1.00 62.23 H new ATOM 0 HG13 ILE A 87 8.557 -1.626 -8.223 1.00 62.23 H new ATOM 0 HG21 ILE A 87 7.843 -0.230 -10.885 1.00 44.11 H new ATOM 0 HG22 ILE A 87 6.228 0.362 -10.431 1.00 44.11 H new ATOM 0 HG23 ILE A 87 7.586 0.522 -9.293 1.00 44.11 H new ATOM 0 HD11 ILE A 87 8.847 -4.053 -8.263 1.00 30.23 H new ATOM 0 HD12 ILE A 87 7.213 -3.630 -7.698 1.00 30.23 H new ATOM 0 HD13 ILE A 87 7.456 -4.216 -9.361 1.00 30.23 H new ATOM 1346 N TRP A 88 4.909 0.902 -7.919 1.00 32.54 N ATOM 1347 CA TRP A 88 4.019 2.048 -8.137 1.00 64.02 C ATOM 1348 C TRP A 88 4.293 2.680 -9.514 1.00 40.34 C ATOM 1349 O TRP A 88 4.938 3.722 -9.625 1.00 32.15 O ATOM 1350 CB TRP A 88 4.204 3.091 -7.016 1.00 21.12 C ATOM 1351 CG TRP A 88 3.087 4.096 -6.905 1.00 41.25 C ATOM 1352 CD1 TRP A 88 2.577 4.881 -7.900 1.00 5.43 C ATOM 1353 CD2 TRP A 88 2.354 4.430 -5.722 1.00 75.55 C ATOM 1354 NE1 TRP A 88 1.568 5.670 -7.411 1.00 12.44 N ATOM 1355 CE2 TRP A 88 1.413 5.415 -6.075 1.00 21.34 C ATOM 1356 CE3 TRP A 88 2.402 3.992 -4.396 1.00 61.42 C ATOM 1357 CZ2 TRP A 88 0.524 5.964 -5.154 1.00 50.22 C ATOM 1358 CZ3 TRP A 88 1.519 4.537 -3.483 1.00 12.33 C ATOM 1359 CH2 TRP A 88 0.593 5.515 -3.866 1.00 23.33 C ATOM 0 H TRP A 88 5.634 1.063 -7.220 1.00 32.54 H new ATOM 0 HA TRP A 88 2.987 1.699 -8.115 1.00 64.02 H new ATOM 0 HB2 TRP A 88 4.301 2.569 -6.064 1.00 21.12 H new ATOM 0 HB3 TRP A 88 5.140 3.624 -7.184 1.00 21.12 H new ATOM 0 HD1 TRP A 88 2.919 4.880 -8.924 1.00 5.43 H new ATOM 0 HE1 TRP A 88 1.022 6.338 -7.954 1.00 12.44 H new ATOM 0 HE3 TRP A 88 3.116 3.241 -4.090 1.00 61.42 H new ATOM 0 HZ2 TRP A 88 -0.193 6.717 -5.447 1.00 50.22 H new ATOM 0 HZ3 TRP A 88 1.544 4.203 -2.456 1.00 12.33 H new ATOM 0 HH2 TRP A 88 -0.081 5.923 -3.127 1.00 23.33 H new ATOM 1370 N LYS A 89 3.798 2.034 -10.561 1.00 41.32 N ATOM 1371 CA LYS A 89 4.063 2.454 -11.944 1.00 75.01 C ATOM 1372 C LYS A 89 3.389 3.795 -12.309 1.00 65.33 C ATOM 1373 O LYS A 89 3.558 4.297 -13.421 1.00 53.05 O ATOM 1374 CB LYS A 89 3.604 1.347 -12.904 1.00 11.33 C ATOM 1375 CG LYS A 89 4.308 0.010 -12.673 1.00 2.51 C ATOM 1376 CD LYS A 89 3.751 -1.114 -13.552 1.00 53.24 C ATOM 1377 CE LYS A 89 4.118 -0.957 -15.029 1.00 15.50 C ATOM 1378 NZ LYS A 89 3.452 0.211 -15.670 1.00 64.42 N ATOM 0 H LYS A 89 3.204 1.208 -10.484 1.00 41.32 H new ATOM 0 HA LYS A 89 5.137 2.617 -12.037 1.00 75.01 H new ATOM 0 HB2 LYS A 89 2.529 1.206 -12.796 1.00 11.33 H new ATOM 0 HB3 LYS A 89 3.782 1.670 -13.930 1.00 11.33 H new ATOM 0 HG2 LYS A 89 5.373 0.126 -12.872 1.00 2.51 H new ATOM 0 HG3 LYS A 89 4.208 -0.272 -11.625 1.00 2.51 H new ATOM 0 HD2 LYS A 89 4.127 -2.071 -13.190 1.00 53.24 H new ATOM 0 HD3 LYS A 89 2.666 -1.140 -13.454 1.00 53.24 H new ATOM 0 HE2 LYS A 89 5.199 -0.848 -15.120 1.00 15.50 H new ATOM 0 HE3 LYS A 89 3.843 -1.865 -15.565 1.00 15.50 H new ATOM 0 HZ1 LYS A 89 3.146 -0.047 -16.630 1.00 64.42 H new ATOM 0 HZ2 LYS A 89 2.624 0.491 -15.106 1.00 64.42 H new ATOM 0 HZ3 LYS A 89 4.120 1.006 -15.722 1.00 64.42 H new ATOM 1392 N ASN A 90 2.635 4.373 -11.374 1.00 41.54 N ATOM 1393 CA ASN A 90 1.934 5.641 -11.623 1.00 64.21 C ATOM 1394 C ASN A 90 2.691 6.854 -11.053 1.00 65.44 C ATOM 1395 O ASN A 90 2.365 7.998 -11.373 1.00 0.55 O ATOM 1396 CB ASN A 90 0.519 5.590 -11.028 1.00 70.12 C ATOM 1397 CG ASN A 90 -0.319 4.472 -11.621 1.00 32.24 C ATOM 1398 OD1 ASN A 90 0.193 3.418 -11.976 1.00 31.10 O ATOM 1399 ND2 ASN A 90 -1.614 4.692 -11.741 1.00 63.21 N ATOM 0 H ASN A 90 2.492 3.989 -10.440 1.00 41.54 H new ATOM 0 HA ASN A 90 1.879 5.767 -12.704 1.00 64.21 H new ATOM 0 HB2 ASN A 90 0.587 5.456 -9.948 1.00 70.12 H new ATOM 0 HB3 ASN A 90 0.021 6.544 -11.200 1.00 70.12 H new ATOM 0 HD21 ASN A 90 -2.219 3.973 -12.139 1.00 63.21 H new ATOM 0 HD22 ASN A 90 -2.011 5.581 -11.436 1.00 63.21 H new ATOM 1406 N GLN A 91 3.696 6.611 -10.210 1.00 13.23 N ATOM 1407 CA GLN A 91 4.476 7.700 -9.596 1.00 20.34 C ATOM 1408 C GLN A 91 5.788 7.175 -8.986 1.00 3.01 C ATOM 1409 O GLN A 91 5.834 6.080 -8.426 1.00 73.15 O ATOM 1410 CB GLN A 91 3.644 8.428 -8.520 1.00 54.24 C ATOM 1411 CG GLN A 91 4.381 9.585 -7.841 1.00 43.35 C ATOM 1412 CD GLN A 91 3.519 10.343 -6.839 1.00 12.42 C ATOM 1413 OE1 GLN A 91 3.464 10.001 -5.661 1.00 42.41 O ATOM 1414 NE2 GLN A 91 2.850 11.383 -7.296 1.00 33.02 N ATOM 0 H GLN A 91 3.992 5.675 -9.934 1.00 13.23 H new ATOM 0 HA GLN A 91 4.728 8.409 -10.385 1.00 20.34 H new ATOM 0 HB2 GLN A 91 2.732 8.811 -8.978 1.00 54.24 H new ATOM 0 HB3 GLN A 91 3.341 7.708 -7.760 1.00 54.24 H new ATOM 0 HG2 GLN A 91 5.262 9.196 -7.331 1.00 43.35 H new ATOM 0 HG3 GLN A 91 4.735 10.279 -8.604 1.00 43.35 H new ATOM 0 HE21 GLN A 91 2.918 11.640 -8.281 1.00 33.02 H new ATOM 0 HE22 GLN A 91 2.265 11.930 -6.665 1.00 33.02 H new ATOM 1423 N ASN A 92 6.853 7.971 -9.091 1.00 35.34 N ATOM 1424 CA ASN A 92 8.181 7.567 -8.608 1.00 62.11 C ATOM 1425 C ASN A 92 8.306 7.625 -7.073 1.00 1.52 C ATOM 1426 O ASN A 92 7.311 7.665 -6.341 1.00 72.51 O ATOM 1427 CB ASN A 92 9.257 8.452 -9.250 1.00 1.23 C ATOM 1428 CG ASN A 92 9.362 8.234 -10.745 1.00 52.32 C ATOM 1429 OD1 ASN A 92 8.726 8.923 -11.534 1.00 32.22 O ATOM 1430 ND2 ASN A 92 10.166 7.273 -11.150 1.00 24.44 N ATOM 0 H ASN A 92 6.825 8.902 -9.507 1.00 35.34 H new ATOM 0 HA ASN A 92 8.323 6.526 -8.899 1.00 62.11 H new ATOM 0 HB2 ASN A 92 9.028 9.499 -9.053 1.00 1.23 H new ATOM 0 HB3 ASN A 92 10.221 8.243 -8.786 1.00 1.23 H new ATOM 0 HD21 ASN A 92 10.273 7.084 -12.147 1.00 24.44 H new ATOM 0 HD22 ASN A 92 10.681 6.718 -10.467 1.00 24.44 H new ATOM 1437 N SER A 93 9.557 7.592 -6.609 1.00 34.43 N ATOM 1438 CA SER A 93 9.885 7.654 -5.179 1.00 24.33 C ATOM 1439 C SER A 93 9.436 8.970 -4.521 1.00 73.22 C ATOM 1440 O SER A 93 8.905 9.867 -5.176 1.00 4.41 O ATOM 1441 CB SER A 93 11.399 7.477 -4.998 1.00 71.42 C ATOM 1442 OG SER A 93 11.789 7.649 -3.646 1.00 13.51 O ATOM 0 H SER A 93 10.375 7.521 -7.214 1.00 34.43 H new ATOM 0 HA SER A 93 9.341 6.849 -4.685 1.00 24.33 H new ATOM 0 HB2 SER A 93 11.692 6.484 -5.338 1.00 71.42 H new ATOM 0 HB3 SER A 93 11.927 8.197 -5.623 1.00 71.42 H new ATOM 0 HG SER A 93 11.947 6.773 -3.237 1.00 13.51 H new ATOM 1448 N TRP A 94 9.675 9.074 -3.216 1.00 73.34 N ATOM 1449 CA TRP A 94 9.280 10.247 -2.425 1.00 41.52 C ATOM 1450 C TRP A 94 10.360 10.580 -1.382 1.00 63.05 C ATOM 1451 O TRP A 94 11.270 9.784 -1.152 1.00 3.33 O ATOM 1452 CB TRP A 94 7.933 9.987 -1.729 1.00 33.31 C ATOM 1453 CG TRP A 94 7.970 8.868 -0.719 1.00 31.43 C ATOM 1454 CD1 TRP A 94 8.108 8.989 0.638 1.00 4.42 C ATOM 1455 CD2 TRP A 94 7.865 7.462 -0.983 1.00 45.55 C ATOM 1456 NE1 TRP A 94 8.094 7.748 1.225 1.00 44.21 N ATOM 1457 CE2 TRP A 94 7.947 6.798 0.255 1.00 45.21 C ATOM 1458 CE3 TRP A 94 7.712 6.699 -2.145 1.00 10.43 C ATOM 1459 CZ2 TRP A 94 7.878 5.412 0.366 1.00 42.30 C ATOM 1460 CZ3 TRP A 94 7.645 5.323 -2.034 1.00 0.22 C ATOM 1461 CH2 TRP A 94 7.728 4.692 -0.786 1.00 75.14 C ATOM 0 H TRP A 94 10.147 8.351 -2.673 1.00 73.34 H new ATOM 0 HA TRP A 94 9.172 11.099 -3.097 1.00 41.52 H new ATOM 0 HB2 TRP A 94 7.611 10.901 -1.231 1.00 33.31 H new ATOM 0 HB3 TRP A 94 7.184 9.755 -2.486 1.00 33.31 H new ATOM 0 HD1 TRP A 94 8.213 9.924 1.169 1.00 4.42 H new ATOM 0 HE1 TRP A 94 8.180 7.565 2.225 1.00 44.21 H new ATOM 0 HE3 TRP A 94 7.647 7.176 -3.112 1.00 10.43 H new ATOM 0 HZ2 TRP A 94 7.941 4.924 1.327 1.00 42.30 H new ATOM 0 HZ3 TRP A 94 7.527 4.724 -2.925 1.00 0.22 H new ATOM 0 HH2 TRP A 94 7.672 3.615 -0.733 1.00 75.14 H new ATOM 1472 N GLY A 95 10.267 11.755 -0.762 1.00 54.02 N ATOM 1473 CA GLY A 95 11.219 12.120 0.284 1.00 10.51 C ATOM 1474 C GLY A 95 11.204 13.604 0.636 1.00 53.40 C ATOM 1475 O GLY A 95 12.185 14.315 0.404 1.00 14.31 O ATOM 0 H GLY A 95 9.556 12.459 -0.961 1.00 54.02 H new ATOM 0 HA2 GLY A 95 11.000 11.541 1.181 1.00 10.51 H new ATOM 0 HA3 GLY A 95 12.223 11.842 -0.037 1.00 10.51 H new ATOM 1479 N THR A 96 10.095 14.072 1.207 1.00 45.00 N ATOM 1480 CA THR A 96 9.975 15.468 1.644 1.00 1.44 C ATOM 1481 C THR A 96 10.688 15.700 2.982 1.00 33.20 C ATOM 1482 O THR A 96 11.672 16.441 3.057 1.00 53.21 O ATOM 1483 CB THR A 96 8.495 15.889 1.802 1.00 52.34 C ATOM 1484 OG1 THR A 96 7.828 14.986 2.700 1.00 13.52 O ATOM 1485 CG2 THR A 96 7.779 15.905 0.456 1.00 43.31 C ATOM 0 H THR A 96 9.264 13.506 1.379 1.00 45.00 H new ATOM 0 HA THR A 96 10.445 16.073 0.868 1.00 1.44 H new ATOM 0 HB THR A 96 8.469 16.899 2.211 1.00 52.34 H new ATOM 0 HG1 THR A 96 6.891 15.256 2.800 1.00 13.52 H new ATOM 0 HG21 THR A 96 6.741 16.205 0.600 1.00 43.31 H new ATOM 0 HG22 THR A 96 8.272 16.613 -0.210 1.00 43.31 H new ATOM 0 HG23 THR A 96 7.811 14.909 0.015 1.00 43.31 H new ATOM 1493 N GLY A 97 10.173 15.074 4.038 1.00 50.42 N ATOM 1494 CA GLY A 97 10.750 15.222 5.369 1.00 74.45 C ATOM 1495 C GLY A 97 9.704 15.206 6.480 1.00 50.13 C ATOM 1496 O GLY A 97 9.976 14.752 7.592 1.00 71.52 O ATOM 0 H GLY A 97 9.359 14.461 3.997 1.00 50.42 H new ATOM 0 HA2 GLY A 97 11.465 14.417 5.540 1.00 74.45 H new ATOM 0 HA3 GLY A 97 11.306 16.158 5.415 1.00 74.45 H new ATOM 1500 N GLU A 98 8.510 15.715 6.181 1.00 14.13 N ATOM 1501 CA GLU A 98 7.410 15.763 7.159 1.00 44.21 C ATOM 1502 C GLU A 98 6.903 14.361 7.544 1.00 54.32 C ATOM 1503 O GLU A 98 6.988 13.966 8.707 1.00 32.14 O ATOM 1504 CB GLU A 98 6.249 16.612 6.610 1.00 2.01 C ATOM 1505 CG GLU A 98 6.575 18.098 6.479 1.00 15.04 C ATOM 1506 CD GLU A 98 6.695 18.802 7.824 1.00 1.13 C ATOM 1507 OE1 GLU A 98 7.757 18.691 8.474 1.00 43.34 O ATOM 1508 OE2 GLU A 98 5.724 19.471 8.236 1.00 73.34 O ATOM 0 H GLU A 98 8.273 16.103 5.268 1.00 14.13 H new ATOM 0 HA GLU A 98 7.805 16.223 8.065 1.00 44.21 H new ATOM 0 HB2 GLU A 98 5.961 16.226 5.632 1.00 2.01 H new ATOM 0 HB3 GLU A 98 5.386 16.496 7.266 1.00 2.01 H new ATOM 0 HG2 GLU A 98 7.510 18.212 5.931 1.00 15.04 H new ATOM 0 HG3 GLU A 98 5.798 18.584 5.889 1.00 15.04 H new ATOM 1515 N ASP A 99 6.357 13.630 6.568 1.00 53.31 N ATOM 1516 CA ASP A 99 5.843 12.268 6.801 1.00 31.05 C ATOM 1517 C ASP A 99 5.332 11.647 5.487 1.00 52.05 C ATOM 1518 O ASP A 99 5.021 12.363 4.530 1.00 3.32 O ATOM 1519 CB ASP A 99 4.703 12.295 7.838 1.00 22.22 C ATOM 1520 CG ASP A 99 4.443 10.936 8.474 1.00 0.23 C ATOM 1521 OD1 ASP A 99 3.839 10.063 7.817 1.00 62.32 O ATOM 1522 OD2 ASP A 99 4.838 10.739 9.639 1.00 42.50 O ATOM 0 H ASP A 99 6.257 13.955 5.606 1.00 53.31 H new ATOM 0 HA ASP A 99 6.661 11.658 7.184 1.00 31.05 H new ATOM 0 HB2 ASP A 99 4.947 13.015 8.619 1.00 22.22 H new ATOM 0 HB3 ASP A 99 3.790 12.645 7.357 1.00 22.22 H new ATOM 1527 N VAL A 100 5.250 10.321 5.441 1.00 70.43 N ATOM 1528 CA VAL A 100 4.671 9.619 4.293 1.00 51.35 C ATOM 1529 C VAL A 100 3.337 8.957 4.687 1.00 61.40 C ATOM 1530 O VAL A 100 3.288 7.810 5.140 1.00 41.31 O ATOM 1531 CB VAL A 100 5.663 8.578 3.691 1.00 31.15 C ATOM 1532 CG1 VAL A 100 6.225 7.651 4.770 1.00 24.15 C ATOM 1533 CG2 VAL A 100 5.001 7.773 2.570 1.00 31.21 C ATOM 0 H VAL A 100 5.577 9.706 6.186 1.00 70.43 H new ATOM 0 HA VAL A 100 4.474 10.356 3.514 1.00 51.35 H new ATOM 0 HB VAL A 100 6.499 9.131 3.263 1.00 31.15 H new ATOM 0 HG11 VAL A 100 6.913 6.938 4.315 1.00 24.15 H new ATOM 0 HG12 VAL A 100 6.756 8.242 5.517 1.00 24.15 H new ATOM 0 HG13 VAL A 100 5.407 7.112 5.248 1.00 24.15 H new ATOM 0 HG21 VAL A 100 5.715 7.054 2.168 1.00 31.21 H new ATOM 0 HG22 VAL A 100 4.135 7.242 2.966 1.00 31.21 H new ATOM 0 HG23 VAL A 100 4.681 8.449 1.777 1.00 31.21 H new ATOM 1543 N LYS A 101 2.254 9.713 4.539 1.00 24.34 N ATOM 1544 CA LYS A 101 0.924 9.266 4.962 1.00 10.03 C ATOM 1545 C LYS A 101 0.174 8.553 3.826 1.00 5.23 C ATOM 1546 O LYS A 101 0.024 9.089 2.728 1.00 74.13 O ATOM 1547 CB LYS A 101 0.115 10.468 5.469 1.00 4.02 C ATOM 1548 CG LYS A 101 -1.291 10.121 5.955 1.00 72.14 C ATOM 1549 CD LYS A 101 -1.983 11.330 6.581 1.00 30.00 C ATOM 1550 CE LYS A 101 -3.386 10.990 7.066 1.00 21.42 C ATOM 1551 NZ LYS A 101 -4.019 12.125 7.788 1.00 44.02 N ATOM 0 H LYS A 101 2.268 10.646 4.126 1.00 24.34 H new ATOM 0 HA LYS A 101 1.048 8.544 5.769 1.00 10.03 H new ATOM 0 HB2 LYS A 101 0.662 10.941 6.285 1.00 4.02 H new ATOM 0 HB3 LYS A 101 0.038 11.203 4.668 1.00 4.02 H new ATOM 0 HG2 LYS A 101 -1.885 9.753 5.119 1.00 72.14 H new ATOM 0 HG3 LYS A 101 -1.235 9.314 6.686 1.00 72.14 H new ATOM 0 HD2 LYS A 101 -1.388 11.697 7.418 1.00 30.00 H new ATOM 0 HD3 LYS A 101 -2.037 12.137 5.850 1.00 30.00 H new ATOM 0 HE2 LYS A 101 -4.006 10.712 6.214 1.00 21.42 H new ATOM 0 HE3 LYS A 101 -3.341 10.122 7.724 1.00 21.42 H new ATOM 0 HZ1 LYS A 101 -4.972 11.850 8.100 1.00 44.02 H new ATOM 0 HZ2 LYS A 101 -3.442 12.375 8.616 1.00 44.02 H new ATOM 0 HZ3 LYS A 101 -4.086 12.946 7.153 1.00 44.02 H new ATOM 1565 N VAL A 102 -0.301 7.340 4.099 1.00 13.14 N ATOM 1566 CA VAL A 102 -1.019 6.541 3.098 1.00 14.53 C ATOM 1567 C VAL A 102 -2.461 6.235 3.543 1.00 42.02 C ATOM 1568 O VAL A 102 -2.710 5.891 4.702 1.00 72.41 O ATOM 1569 CB VAL A 102 -0.275 5.211 2.802 1.00 4.34 C ATOM 1570 CG1 VAL A 102 -1.027 4.381 1.764 1.00 65.35 C ATOM 1571 CG2 VAL A 102 1.158 5.484 2.340 1.00 51.12 C ATOM 0 H VAL A 102 -0.203 6.884 5.006 1.00 13.14 H new ATOM 0 HA VAL A 102 -1.056 7.138 2.187 1.00 14.53 H new ATOM 0 HB VAL A 102 -0.234 4.636 3.727 1.00 4.34 H new ATOM 0 HG11 VAL A 102 -0.484 3.455 1.576 1.00 65.35 H new ATOM 0 HG12 VAL A 102 -2.024 4.147 2.138 1.00 65.35 H new ATOM 0 HG13 VAL A 102 -1.111 4.947 0.837 1.00 65.35 H new ATOM 0 HG21 VAL A 102 1.661 4.539 2.138 1.00 51.12 H new ATOM 0 HG22 VAL A 102 1.139 6.086 1.432 1.00 51.12 H new ATOM 0 HG23 VAL A 102 1.696 6.022 3.121 1.00 51.12 H new ATOM 1581 N ILE A 103 -3.403 6.369 2.609 1.00 34.21 N ATOM 1582 CA ILE A 103 -4.825 6.104 2.870 1.00 30.33 C ATOM 1583 C ILE A 103 -5.371 5.025 1.915 1.00 21.54 C ATOM 1584 O ILE A 103 -5.056 5.024 0.721 1.00 23.24 O ATOM 1585 CB ILE A 103 -5.673 7.394 2.698 1.00 23.43 C ATOM 1586 CG1 ILE A 103 -5.137 8.533 3.587 1.00 43.02 C ATOM 1587 CG2 ILE A 103 -7.145 7.119 3.004 1.00 31.41 C ATOM 1588 CD1 ILE A 103 -5.175 8.232 5.073 1.00 52.42 C ATOM 0 H ILE A 103 -3.207 6.663 1.652 1.00 34.21 H new ATOM 0 HA ILE A 103 -4.901 5.752 3.899 1.00 30.33 H new ATOM 0 HB ILE A 103 -5.592 7.712 1.658 1.00 23.43 H new ATOM 0 HG12 ILE A 103 -4.109 8.751 3.298 1.00 43.02 H new ATOM 0 HG13 ILE A 103 -5.720 9.434 3.395 1.00 43.02 H new ATOM 0 HG21 ILE A 103 -7.720 8.036 2.877 1.00 31.41 H new ATOM 0 HG22 ILE A 103 -7.522 6.357 2.322 1.00 31.41 H new ATOM 0 HG23 ILE A 103 -7.244 6.768 4.031 1.00 31.41 H new ATOM 0 HD11 ILE A 103 -4.781 9.084 5.627 1.00 52.42 H new ATOM 0 HD12 ILE A 103 -6.204 8.044 5.380 1.00 52.42 H new ATOM 0 HD13 ILE A 103 -4.568 7.351 5.281 1.00 52.42 H new ATOM 1600 N LEU A 104 -6.193 4.116 2.438 1.00 61.30 N ATOM 1601 CA LEU A 104 -6.788 3.046 1.619 1.00 12.44 C ATOM 1602 C LEU A 104 -8.303 3.232 1.429 1.00 31.33 C ATOM 1603 O LEU A 104 -9.081 3.144 2.386 1.00 41.15 O ATOM 1604 CB LEU A 104 -6.520 1.667 2.246 1.00 31.32 C ATOM 1605 CG LEU A 104 -5.052 1.215 2.258 1.00 74.03 C ATOM 1606 CD1 LEU A 104 -4.924 -0.165 2.899 1.00 74.50 C ATOM 1607 CD2 LEU A 104 -4.480 1.208 0.842 1.00 21.33 C ATOM 0 H LEU A 104 -6.465 4.094 3.421 1.00 61.30 H new ATOM 0 HA LEU A 104 -6.314 3.103 0.639 1.00 12.44 H new ATOM 0 HB2 LEU A 104 -6.886 1.678 3.273 1.00 31.32 H new ATOM 0 HB3 LEU A 104 -7.106 0.923 1.706 1.00 31.32 H new ATOM 0 HG LEU A 104 -4.477 1.925 2.853 1.00 74.03 H new ATOM 0 HD11 LEU A 104 -3.878 -0.470 2.899 1.00 74.50 H new ATOM 0 HD12 LEU A 104 -5.291 -0.125 3.925 1.00 74.50 H new ATOM 0 HD13 LEU A 104 -5.512 -0.886 2.331 1.00 74.50 H new ATOM 0 HD21 LEU A 104 -3.439 0.885 0.872 1.00 21.33 H new ATOM 0 HD22 LEU A 104 -5.055 0.522 0.221 1.00 21.33 H new ATOM 0 HD23 LEU A 104 -4.536 2.212 0.422 1.00 21.33 H new ATOM 1619 N LYS A 105 -8.715 3.485 0.188 1.00 22.43 N ATOM 1620 CA LYS A 105 -10.139 3.528 -0.171 1.00 51.42 C ATOM 1621 C LYS A 105 -10.523 2.299 -1.011 1.00 62.22 C ATOM 1622 O LYS A 105 -9.677 1.682 -1.659 1.00 15.14 O ATOM 1623 CB LYS A 105 -10.477 4.811 -0.950 1.00 33.13 C ATOM 1624 CG LYS A 105 -10.371 6.094 -0.125 1.00 10.40 C ATOM 1625 CD LYS A 105 -10.857 7.311 -0.915 1.00 41.53 C ATOM 1626 CE LYS A 105 -10.806 8.596 -0.091 1.00 41.12 C ATOM 1627 NZ LYS A 105 -11.643 8.508 1.138 1.00 33.12 N ATOM 0 H LYS A 105 -8.083 3.665 -0.592 1.00 22.43 H new ATOM 0 HA LYS A 105 -10.712 3.522 0.756 1.00 51.42 H new ATOM 0 HB2 LYS A 105 -9.809 4.888 -1.808 1.00 33.13 H new ATOM 0 HB3 LYS A 105 -11.491 4.728 -1.342 1.00 33.13 H new ATOM 0 HG2 LYS A 105 -10.960 5.992 0.786 1.00 10.40 H new ATOM 0 HG3 LYS A 105 -9.336 6.247 0.180 1.00 10.40 H new ATOM 0 HD2 LYS A 105 -10.243 7.430 -1.808 1.00 41.53 H new ATOM 0 HD3 LYS A 105 -11.879 7.138 -1.251 1.00 41.53 H new ATOM 0 HE2 LYS A 105 -9.774 8.806 0.188 1.00 41.12 H new ATOM 0 HE3 LYS A 105 -11.147 9.432 -0.702 1.00 41.12 H new ATOM 0 HZ1 LYS A 105 -12.066 9.437 1.337 1.00 33.12 H new ATOM 0 HZ2 LYS A 105 -12.398 7.807 0.995 1.00 33.12 H new ATOM 0 HZ3 LYS A 105 -11.050 8.219 1.942 1.00 33.12 H new ATOM 1641 N ASN A 106 -11.801 1.944 -0.996 1.00 32.21 N ATOM 1642 CA ASN A 106 -12.291 0.802 -1.772 1.00 21.42 C ATOM 1643 C ASN A 106 -12.942 1.249 -3.091 1.00 60.30 C ATOM 1644 O ASN A 106 -13.035 2.442 -3.381 1.00 74.04 O ATOM 1645 CB ASN A 106 -13.289 -0.009 -0.940 1.00 32.13 C ATOM 1646 CG ASN A 106 -12.683 -0.550 0.348 1.00 15.22 C ATOM 1647 OD1 ASN A 106 -13.373 -0.723 1.340 1.00 1.30 O ATOM 1648 ND2 ASN A 106 -11.391 -0.827 0.346 1.00 55.52 N ATOM 0 H ASN A 106 -12.520 2.427 -0.457 1.00 32.21 H new ATOM 0 HA ASN A 106 -11.434 0.176 -2.021 1.00 21.42 H new ATOM 0 HB2 ASN A 106 -14.146 0.618 -0.697 1.00 32.13 H new ATOM 0 HB3 ASN A 106 -13.662 -0.841 -1.538 1.00 32.13 H new ATOM 0 HD21 ASN A 106 -10.947 -1.195 1.187 1.00 55.52 H new ATOM 0 HD22 ASN A 106 -10.838 -0.673 -0.497 1.00 55.52 H new ATOM 1655 N SER A 107 -13.401 0.272 -3.874 1.00 3.25 N ATOM 1656 CA SER A 107 -14.000 0.521 -5.198 1.00 42.03 C ATOM 1657 C SER A 107 -15.037 1.657 -5.196 1.00 61.40 C ATOM 1658 O SER A 107 -15.072 2.475 -6.118 1.00 71.13 O ATOM 1659 CB SER A 107 -14.668 -0.760 -5.720 1.00 61.24 C ATOM 1660 OG SER A 107 -15.369 -0.521 -6.930 1.00 72.21 O ATOM 0 H SER A 107 -13.371 -0.714 -3.615 1.00 3.25 H new ATOM 0 HA SER A 107 -13.182 0.829 -5.849 1.00 42.03 H new ATOM 0 HB2 SER A 107 -13.911 -1.527 -5.882 1.00 61.24 H new ATOM 0 HB3 SER A 107 -15.357 -1.145 -4.968 1.00 61.24 H new ATOM 0 HG SER A 107 -15.782 -1.354 -7.239 1.00 72.21 H new ATOM 1666 N GLN A 108 -15.868 1.717 -4.160 1.00 34.53 N ATOM 1667 CA GLN A 108 -16.983 2.676 -4.115 1.00 13.35 C ATOM 1668 C GLN A 108 -16.591 4.012 -3.454 1.00 1.11 C ATOM 1669 O GLN A 108 -17.458 4.812 -3.096 1.00 45.31 O ATOM 1670 CB GLN A 108 -18.164 2.051 -3.360 1.00 14.24 C ATOM 1671 CG GLN A 108 -18.551 0.667 -3.869 1.00 70.01 C ATOM 1672 CD GLN A 108 -19.816 0.132 -3.216 1.00 22.42 C ATOM 1673 OE1 GLN A 108 -20.913 0.327 -3.724 1.00 54.33 O ATOM 1674 NE2 GLN A 108 -19.682 -0.523 -2.079 1.00 13.32 N ATOM 0 H GLN A 108 -15.796 1.117 -3.338 1.00 34.53 H new ATOM 0 HA GLN A 108 -17.264 2.898 -5.145 1.00 13.35 H new ATOM 0 HB2 GLN A 108 -17.912 1.982 -2.302 1.00 14.24 H new ATOM 0 HB3 GLN A 108 -19.027 2.713 -3.440 1.00 14.24 H new ATOM 0 HG2 GLN A 108 -18.695 0.709 -4.949 1.00 70.01 H new ATOM 0 HG3 GLN A 108 -17.731 -0.026 -3.683 1.00 70.01 H new ATOM 0 HE21 GLN A 108 -18.754 -0.669 -1.681 1.00 13.32 H new ATOM 0 HE22 GLN A 108 -20.506 -0.883 -1.598 1.00 13.32 H new ATOM 1683 N GLY A 109 -15.289 4.254 -3.295 1.00 62.51 N ATOM 1684 CA GLY A 109 -14.815 5.482 -2.649 1.00 64.03 C ATOM 1685 C GLY A 109 -14.782 5.377 -1.126 1.00 51.44 C ATOM 1686 O GLY A 109 -14.072 6.129 -0.452 1.00 13.51 O ATOM 0 H GLY A 109 -14.548 3.623 -3.601 1.00 62.51 H new ATOM 0 HA2 GLY A 109 -13.815 5.716 -3.014 1.00 64.03 H new ATOM 0 HA3 GLY A 109 -15.461 6.311 -2.937 1.00 64.03 H new ATOM 1690 N GLU A 110 -15.566 4.439 -0.592 1.00 62.55 N ATOM 1691 CA GLU A 110 -15.623 4.162 0.847 1.00 4.11 C ATOM 1692 C GLU A 110 -14.224 3.914 1.441 1.00 5.41 C ATOM 1693 O GLU A 110 -13.467 3.068 0.966 1.00 24.12 O ATOM 1694 CB GLU A 110 -16.556 2.961 1.093 1.00 42.12 C ATOM 1695 CG GLU A 110 -16.315 1.785 0.144 1.00 14.42 C ATOM 1696 CD GLU A 110 -17.469 0.789 0.098 1.00 54.21 C ATOM 1697 OE1 GLU A 110 -18.579 1.120 0.575 1.00 44.02 O ATOM 1698 OE2 GLU A 110 -17.281 -0.315 -0.457 1.00 51.54 O ATOM 0 H GLU A 110 -16.183 3.846 -1.147 1.00 62.55 H new ATOM 0 HA GLU A 110 -16.022 5.040 1.356 1.00 4.11 H new ATOM 0 HB2 GLU A 110 -16.429 2.619 2.120 1.00 42.12 H new ATOM 0 HB3 GLU A 110 -17.590 3.290 0.993 1.00 42.12 H new ATOM 0 HG2 GLU A 110 -16.139 2.170 -0.860 1.00 14.42 H new ATOM 0 HG3 GLU A 110 -15.408 1.263 0.449 1.00 14.42 H new ATOM 1705 N GLU A 111 -13.892 4.677 2.475 1.00 13.13 N ATOM 1706 CA GLU A 111 -12.559 4.649 3.086 1.00 64.23 C ATOM 1707 C GLU A 111 -12.521 3.719 4.308 1.00 54.31 C ATOM 1708 O GLU A 111 -13.434 3.735 5.137 1.00 51.00 O ATOM 1709 CB GLU A 111 -12.183 6.079 3.485 1.00 50.22 C ATOM 1710 CG GLU A 111 -10.777 6.241 4.043 1.00 74.15 C ATOM 1711 CD GLU A 111 -10.431 7.706 4.268 1.00 64.31 C ATOM 1712 OE1 GLU A 111 -10.116 8.399 3.276 1.00 41.22 O ATOM 1713 OE2 GLU A 111 -10.502 8.178 5.420 1.00 21.24 O ATOM 0 H GLU A 111 -14.535 5.334 2.917 1.00 13.13 H new ATOM 0 HA GLU A 111 -11.840 4.258 2.366 1.00 64.23 H new ATOM 0 HB2 GLU A 111 -12.288 6.723 2.612 1.00 50.22 H new ATOM 0 HB3 GLU A 111 -12.896 6.432 4.230 1.00 50.22 H new ATOM 0 HG2 GLU A 111 -10.693 5.698 4.984 1.00 74.15 H new ATOM 0 HG3 GLU A 111 -10.058 5.798 3.354 1.00 74.15 H new ATOM 1720 N VAL A 112 -11.459 2.916 4.427 1.00 1.54 N ATOM 1721 CA VAL A 112 -11.346 1.941 5.526 1.00 2.30 C ATOM 1722 C VAL A 112 -10.043 2.097 6.344 1.00 43.24 C ATOM 1723 O VAL A 112 -10.091 2.367 7.546 1.00 62.34 O ATOM 1724 CB VAL A 112 -11.470 0.480 5.005 1.00 51.25 C ATOM 1725 CG1 VAL A 112 -12.908 0.178 4.583 1.00 65.13 C ATOM 1726 CG2 VAL A 112 -10.512 0.224 3.839 1.00 75.34 C ATOM 0 H VAL A 112 -10.668 2.918 3.783 1.00 1.54 H new ATOM 0 HA VAL A 112 -12.179 2.155 6.196 1.00 2.30 H new ATOM 0 HB VAL A 112 -11.197 -0.187 5.822 1.00 51.25 H new ATOM 0 HG11 VAL A 112 -12.973 -0.848 4.222 1.00 65.13 H new ATOM 0 HG12 VAL A 112 -13.572 0.305 5.438 1.00 65.13 H new ATOM 0 HG13 VAL A 112 -13.205 0.862 3.788 1.00 65.13 H new ATOM 0 HG21 VAL A 112 -10.622 -0.805 3.497 1.00 75.34 H new ATOM 0 HG22 VAL A 112 -10.745 0.905 3.021 1.00 75.34 H new ATOM 0 HG23 VAL A 112 -9.486 0.389 4.168 1.00 75.34 H new ATOM 1736 N ALA A 113 -8.887 1.939 5.700 1.00 75.05 N ATOM 1737 CA ALA A 113 -7.598 1.940 6.415 1.00 32.24 C ATOM 1738 C ALA A 113 -6.817 3.247 6.211 1.00 64.53 C ATOM 1739 O ALA A 113 -6.988 3.938 5.205 1.00 63.31 O ATOM 1740 CB ALA A 113 -6.754 0.746 5.977 1.00 64.22 C ATOM 0 H ALA A 113 -8.810 1.809 4.691 1.00 75.05 H new ATOM 0 HA ALA A 113 -7.818 1.860 7.480 1.00 32.24 H new ATOM 0 HB1 ALA A 113 -5.804 0.756 6.511 1.00 64.22 H new ATOM 0 HB2 ALA A 113 -7.287 -0.178 6.202 1.00 64.22 H new ATOM 0 HB3 ALA A 113 -6.568 0.806 4.905 1.00 64.22 H new ATOM 1746 N GLN A 114 -5.954 3.569 7.176 1.00 15.33 N ATOM 1747 CA GLN A 114 -5.154 4.802 7.141 1.00 35.12 C ATOM 1748 C GLN A 114 -3.859 4.652 7.962 1.00 35.13 C ATOM 1749 O GLN A 114 -3.791 3.835 8.885 1.00 40.11 O ATOM 1750 CB GLN A 114 -5.983 5.969 7.695 1.00 72.33 C ATOM 1751 CG GLN A 114 -6.469 5.749 9.126 1.00 44.41 C ATOM 1752 CD GLN A 114 -7.245 6.933 9.678 1.00 50.11 C ATOM 1753 OE1 GLN A 114 -8.460 7.021 9.534 1.00 11.41 O ATOM 1754 NE2 GLN A 114 -6.552 7.860 10.308 1.00 50.02 N ATOM 0 H GLN A 114 -5.788 2.990 7.999 1.00 15.33 H new ATOM 0 HA GLN A 114 -4.879 5.000 6.105 1.00 35.12 H new ATOM 0 HB2 GLN A 114 -5.383 6.879 7.660 1.00 72.33 H new ATOM 0 HB3 GLN A 114 -6.845 6.130 7.048 1.00 72.33 H new ATOM 0 HG2 GLN A 114 -7.101 4.861 9.157 1.00 44.41 H new ATOM 0 HG3 GLN A 114 -5.611 5.552 9.769 1.00 44.41 H new ATOM 0 HE21 GLN A 114 -5.542 7.759 10.412 1.00 50.02 H new ATOM 0 HE22 GLN A 114 -7.025 8.678 10.691 1.00 50.02 H new ATOM 1763 N ARG A 115 -2.830 5.435 7.627 1.00 12.31 N ATOM 1764 CA ARG A 115 -1.581 5.425 8.404 1.00 42.44 C ATOM 1765 C ARG A 115 -0.649 6.606 8.077 1.00 13.02 C ATOM 1766 O ARG A 115 -0.272 6.818 6.925 1.00 64.42 O ATOM 1767 CB ARG A 115 -0.815 4.111 8.180 1.00 24.33 C ATOM 1768 CG ARG A 115 0.515 4.054 8.930 1.00 4.41 C ATOM 1769 CD ARG A 115 1.260 2.747 8.689 1.00 63.01 C ATOM 1770 NE ARG A 115 0.559 1.595 9.250 1.00 5.12 N ATOM 1771 CZ ARG A 115 1.109 0.715 10.044 1.00 21.31 C ATOM 1772 NH1 ARG A 115 2.335 0.858 10.439 1.00 31.24 N ATOM 1773 NH2 ARG A 115 0.428 -0.305 10.447 1.00 11.43 N ATOM 0 H ARG A 115 -2.832 6.077 6.834 1.00 12.31 H new ATOM 0 HA ARG A 115 -1.881 5.520 9.448 1.00 42.44 H new ATOM 0 HB2 ARG A 115 -1.439 3.276 8.497 1.00 24.33 H new ATOM 0 HB3 ARG A 115 -0.629 3.984 7.114 1.00 24.33 H new ATOM 0 HG2 ARG A 115 1.142 4.889 8.618 1.00 4.41 H new ATOM 0 HG3 ARG A 115 0.333 4.174 9.998 1.00 4.41 H new ATOM 0 HD2 ARG A 115 1.394 2.601 7.617 1.00 63.01 H new ATOM 0 HD3 ARG A 115 2.255 2.813 9.129 1.00 63.01 H new ATOM 0 HE ARG A 115 -0.423 1.469 9.006 1.00 5.12 H new ATOM 0 HH11 ARG A 115 2.880 1.663 10.130 1.00 31.24 H new ATOM 0 HH12 ARG A 115 2.755 0.165 11.059 1.00 31.24 H new ATOM 0 HH21 ARG A 115 -0.539 -0.424 10.146 1.00 11.43 H new ATOM 0 HH22 ARG A 115 0.857 -0.992 11.067 1.00 11.43 H new ATOM 1787 N SER A 116 -0.290 7.370 9.109 1.00 71.45 N ATOM 1788 CA SER A 116 0.841 8.308 9.041 1.00 31.22 C ATOM 1789 C SER A 116 2.018 7.716 9.825 1.00 40.32 C ATOM 1790 O SER A 116 1.848 7.297 10.971 1.00 24.33 O ATOM 1791 CB SER A 116 0.464 9.681 9.624 1.00 73.12 C ATOM 1792 OG SER A 116 0.071 9.582 10.990 1.00 61.33 O ATOM 0 H SER A 116 -0.768 7.360 10.010 1.00 71.45 H new ATOM 0 HA SER A 116 1.116 8.455 7.996 1.00 31.22 H new ATOM 0 HB2 SER A 116 1.313 10.359 9.538 1.00 73.12 H new ATOM 0 HB3 SER A 116 -0.350 10.113 9.041 1.00 73.12 H new ATOM 0 HG SER A 116 0.556 8.845 11.417 1.00 61.33 H new ATOM 1798 N THR A 117 3.201 7.677 9.219 1.00 42.31 N ATOM 1799 CA THR A 117 4.342 6.954 9.807 1.00 4.43 C ATOM 1800 C THR A 117 4.874 7.617 11.093 1.00 41.33 C ATOM 1801 O THR A 117 4.360 7.357 12.186 1.00 12.32 O ATOM 1802 CB THR A 117 5.495 6.778 8.784 1.00 70.13 C ATOM 1803 OG1 THR A 117 5.941 8.056 8.296 1.00 53.20 O ATOM 1804 CG2 THR A 117 5.051 5.907 7.612 1.00 3.12 C ATOM 0 H THR A 117 3.402 8.131 8.328 1.00 42.31 H new ATOM 0 HA THR A 117 3.960 5.970 10.080 1.00 4.43 H new ATOM 0 HB THR A 117 6.322 6.286 9.295 1.00 70.13 H new ATOM 0 HG1 THR A 117 6.669 7.925 7.653 1.00 53.20 H new ATOM 0 HG21 THR A 117 5.875 5.797 6.907 1.00 3.12 H new ATOM 0 HG22 THR A 117 4.755 4.925 7.980 1.00 3.12 H new ATOM 0 HG23 THR A 117 4.205 6.376 7.110 1.00 3.12 H new ATOM 1812 N VAL A 118 5.894 8.468 10.964 1.00 30.21 N ATOM 1813 CA VAL A 118 6.516 9.133 12.115 1.00 65.13 C ATOM 1814 C VAL A 118 7.723 9.990 11.682 1.00 61.45 C ATOM 1815 O VAL A 118 8.613 9.527 10.966 1.00 33.24 O ATOM 1816 CB VAL A 118 6.968 8.118 13.207 1.00 43.11 C ATOM 1817 CG1 VAL A 118 8.032 7.155 12.674 1.00 12.32 C ATOM 1818 CG2 VAL A 118 7.451 8.851 14.460 1.00 23.34 C ATOM 0 H VAL A 118 6.311 8.715 10.067 1.00 30.21 H new ATOM 0 HA VAL A 118 5.751 9.780 12.544 1.00 65.13 H new ATOM 0 HB VAL A 118 6.103 7.516 13.483 1.00 43.11 H new ATOM 0 HG11 VAL A 118 8.323 6.462 13.463 1.00 12.32 H new ATOM 0 HG12 VAL A 118 7.627 6.596 11.831 1.00 12.32 H new ATOM 0 HG13 VAL A 118 8.905 7.721 12.348 1.00 12.32 H new ATOM 0 HG21 VAL A 118 7.762 8.124 15.210 1.00 23.34 H new ATOM 0 HG22 VAL A 118 8.295 9.492 14.204 1.00 23.34 H new ATOM 0 HG23 VAL A 118 6.641 9.461 14.860 1.00 23.34 H new ATOM 1828 N PHE A 119 7.748 11.238 12.135 1.00 2.13 N ATOM 1829 CA PHE A 119 8.839 12.175 11.817 1.00 44.04 C ATOM 1830 C PHE A 119 10.007 12.058 12.819 1.00 4.21 C ATOM 1831 O PHE A 119 10.745 13.016 13.045 1.00 22.04 O ATOM 1832 CB PHE A 119 8.285 13.613 11.785 1.00 61.34 C ATOM 1833 CG PHE A 119 7.396 13.956 12.959 1.00 21.14 C ATOM 1834 CD1 PHE A 119 7.938 14.396 14.158 1.00 0.11 C ATOM 1835 CD2 PHE A 119 6.016 13.834 12.859 1.00 70.12 C ATOM 1836 CE1 PHE A 119 7.123 14.709 15.230 1.00 33.14 C ATOM 1837 CE2 PHE A 119 5.199 14.145 13.930 1.00 55.40 C ATOM 1838 CZ PHE A 119 5.754 14.583 15.117 1.00 10.12 C ATOM 0 H PHE A 119 7.021 11.635 12.730 1.00 2.13 H new ATOM 0 HA PHE A 119 9.238 11.918 10.836 1.00 44.04 H new ATOM 0 HB2 PHE A 119 9.120 14.313 11.758 1.00 61.34 H new ATOM 0 HB3 PHE A 119 7.722 13.754 10.863 1.00 61.34 H new ATOM 0 HD1 PHE A 119 9.009 14.495 14.255 1.00 0.11 H new ATOM 0 HD2 PHE A 119 5.576 13.492 11.934 1.00 70.12 H new ATOM 0 HE1 PHE A 119 7.559 15.052 16.157 1.00 33.14 H new ATOM 0 HE2 PHE A 119 4.127 14.046 13.839 1.00 55.40 H new ATOM 0 HZ PHE A 119 5.117 14.826 15.955 1.00 10.12 H new ATOM 1848 N LYS A 120 10.197 10.860 13.376 1.00 32.43 N ATOM 1849 CA LYS A 120 11.244 10.611 14.384 1.00 44.14 C ATOM 1850 C LYS A 120 12.652 10.545 13.749 1.00 70.51 C ATOM 1851 O LYS A 120 13.660 10.465 14.449 1.00 1.01 O ATOM 1852 CB LYS A 120 10.927 9.307 15.136 1.00 54.41 C ATOM 1853 CG LYS A 120 11.895 8.975 16.273 1.00 24.01 C ATOM 1854 CD LYS A 120 11.481 7.707 17.018 1.00 63.44 C ATOM 1855 CE LYS A 120 11.409 6.498 16.092 1.00 21.52 C ATOM 1856 NZ LYS A 120 10.971 5.269 16.803 1.00 44.50 N ATOM 0 H LYS A 120 9.638 10.038 13.147 1.00 32.43 H new ATOM 0 HA LYS A 120 11.250 11.446 15.085 1.00 44.14 H new ATOM 0 HB2 LYS A 120 9.918 9.374 15.543 1.00 54.41 H new ATOM 0 HB3 LYS A 120 10.928 8.483 14.423 1.00 54.41 H new ATOM 0 HG2 LYS A 120 12.900 8.848 15.870 1.00 24.01 H new ATOM 0 HG3 LYS A 120 11.935 9.811 16.972 1.00 24.01 H new ATOM 0 HD2 LYS A 120 12.193 7.508 17.819 1.00 63.44 H new ATOM 0 HD3 LYS A 120 10.509 7.863 17.487 1.00 63.44 H new ATOM 0 HE2 LYS A 120 10.718 6.709 15.276 1.00 21.52 H new ATOM 0 HE3 LYS A 120 12.388 6.327 15.645 1.00 21.52 H new ATOM 0 HZ1 LYS A 120 10.937 4.474 16.133 1.00 44.50 H new ATOM 0 HZ2 LYS A 120 11.644 5.051 17.566 1.00 44.50 H new ATOM 0 HZ3 LYS A 120 10.025 5.421 17.208 1.00 44.50 H new ATOM 1870 N THR A 121 12.709 10.608 12.422 1.00 40.33 N ATOM 1871 CA THR A 121 13.983 10.581 11.676 1.00 3.32 C ATOM 1872 C THR A 121 14.887 11.798 11.983 1.00 1.34 C ATOM 1873 O THR A 121 15.980 11.925 11.427 1.00 2.04 O ATOM 1874 CB THR A 121 13.722 10.527 10.149 1.00 1.23 C ATOM 1875 OG1 THR A 121 14.960 10.516 9.418 1.00 73.05 O ATOM 1876 CG2 THR A 121 12.872 11.711 9.699 1.00 53.20 C ATOM 0 H THR A 121 11.883 10.679 11.827 1.00 40.33 H new ATOM 0 HA THR A 121 14.504 9.682 12.004 1.00 3.32 H new ATOM 0 HB THR A 121 13.180 9.605 9.940 1.00 1.23 H new ATOM 0 HG1 THR A 121 15.643 11.005 9.923 1.00 73.05 H new ATOM 0 HG21 THR A 121 12.703 11.650 8.624 1.00 53.20 H new ATOM 0 HG22 THR A 121 11.914 11.690 10.219 1.00 53.20 H new ATOM 0 HG23 THR A 121 13.391 12.641 9.933 1.00 53.20 H new ATOM 1884 N THR A 122 14.423 12.696 12.858 1.00 32.44 N ATOM 1885 CA THR A 122 15.209 13.871 13.278 1.00 34.32 C ATOM 1886 C THR A 122 16.140 13.551 14.467 1.00 61.31 C ATOM 1887 O THR A 122 17.366 13.417 14.250 1.00 37.31 O ATOM 1888 CB THR A 122 14.286 15.052 13.664 1.00 11.33 C ATOM 1889 OG1 THR A 122 13.357 14.645 14.681 1.00 21.34 O ATOM 1890 CG2 THR A 122 13.515 15.562 12.448 1.00 13.13 C ATOM 1891 OXT THR A 122 15.648 13.429 15.613 1.00 37.31 O ATOM 0 H THR A 122 13.503 12.635 13.294 1.00 32.44 H new ATOM 0 HA THR A 122 15.822 14.152 12.422 1.00 34.32 H new ATOM 0 HB THR A 122 14.914 15.857 14.045 1.00 11.33 H new ATOM 0 HG1 THR A 122 13.816 14.078 15.335 1.00 21.34 H new ATOM 0 HG21 THR A 122 12.874 16.392 12.746 1.00 13.13 H new ATOM 0 HG22 THR A 122 14.218 15.902 11.688 1.00 13.13 H new ATOM 0 HG23 THR A 122 12.902 14.757 12.042 1.00 13.13 H new TER 1899 THR A 122