USER MOD reduce.3.24.130724 H: found=0, std=0, add=1233, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1227 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 100 ASN : amide:sc= 1.05 K(o=1.9,f=-8.5!) USER MOD Set 1.2: A 102 LYS NZ :NH3+ -126:sc= 0.848 (180deg=0.736) USER MOD Set 2.1: A 99 ASN : amide:sc= 0.0972 K(o=0.6,f=-1.3) USER MOD Set 2.2: A 101 TYR OH : rot -87:sc= 0.505 USER MOD Single : A 1 ALA N :NH3+ 132:sc= 1.16 (180deg=0.0168) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.033 X(o=-0.033,f=-0.0027) USER MOD Single : A 13 THR OG1 : rot 14:sc= 1.14 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 21 ASN : amide:sc= -0.554 K(o=-0.55,f=-4.6!) USER MOD Single : A 24 ASN : amide:sc= 0.374 K(o=0.37,f=-3.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0828 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 34 CYS SG : rot -170:sc= -0.0197 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -100:sc= 0.0441 USER MOD Single : A 48 GLN : amide:sc= 0.311 K(o=0.31,f=-3.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.0905 X(o=-0.09,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.664 X(o=-0.66,f=-0.5) USER MOD Single : A 72 ASN : amide:sc= -0.0627 X(o=-0.063,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0.268 K(o=0.27,f=-2.7) USER MOD Single : A 89 TYR OH : rot -131:sc= 0.667 USER MOD Single : A 91 SER OG : rot 72:sc= 0.647 USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= 0.839 (180deg=0.323) USER MOD Single : A 97 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.6!) USER MOD Single : A 103 SER OG : rot 32:sc= 0.109 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 172:sc= 0.521 USER MOD Single : A 117 ASN : amide:sc= -0.404 K(o=-0.4,f=-3.5!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 123 GLN : amide:sc=-0.00707 X(o=-0.0071,f=-0.0071) USER MOD Single : A 124 SER OG : rot 130:sc=0.000938 USER MOD Single : A 126 ASN : amide:sc= -0.0279 K(o=-0.028,f=-4.8!) USER MOD Single : A 127 HIS : no HD1:sc= -0.0968 X(o=-0.097,f=0) USER MOD Single : A 130 THR OG1 : rot 71:sc= 0.871 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -37:sc= 0.736 USER MOD Single : A 142 TYR OH : rot -17:sc= 0.16 USER MOD Single : A 143 CYS SG : rot 176:sc= 0.89 USER MOD Single : A 146 LYS NZ :NH3+ -145:sc= 1.1 (180deg=-0.334) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot 82:sc= 0.687 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.723 -10.906 10.014 1.00 2.32 N ATOM 2 CA ALA A 1 -12.470 -11.176 8.591 1.00 2.10 C ATOM 3 C ALA A 1 -13.714 -10.835 7.778 1.00 1.67 C ATOM 4 O ALA A 1 -14.793 -11.300 8.136 1.00 2.30 O ATOM 5 CB ALA A 1 -12.080 -12.638 8.380 1.00 3.05 C ATOM 0 H1 ALA A 1 -12.418 -11.722 10.582 1.00 2.32 H new ATOM 0 H2 ALA A 1 -12.191 -10.062 10.307 1.00 2.32 H new ATOM 0 H3 ALA A 1 -13.740 -10.743 10.161 1.00 2.32 H new ATOM 0 HA ALA A 1 -11.640 -10.554 8.255 1.00 2.10 H new ATOM 0 HB1 ALA A 1 -11.897 -12.817 7.320 1.00 3.05 H new ATOM 0 HB2 ALA A 1 -11.175 -12.859 8.947 1.00 3.05 H new ATOM 0 HB3 ALA A 1 -12.889 -13.283 8.722 1.00 3.05 H new ATOM 11 N PRO A 2 -13.590 -9.977 6.757 1.00 1.86 N ATOM 12 CA PRO A 2 -14.702 -9.428 5.992 1.00 2.36 C ATOM 13 C PRO A 2 -14.760 -10.054 4.587 1.00 1.84 C ATOM 14 O PRO A 2 -14.509 -11.249 4.450 1.00 2.24 O ATOM 15 CB PRO A 2 -14.356 -7.947 5.975 1.00 3.63 C ATOM 16 CG PRO A 2 -12.850 -7.983 5.699 1.00 3.76 C ATOM 17 CD PRO A 2 -12.394 -9.186 6.517 1.00 2.86 C ATOM 0 HA PRO A 2 -15.691 -9.625 6.406 1.00 2.36 H new ATOM 0 HB2 PRO A 2 -14.901 -7.408 5.200 1.00 3.63 H new ATOM 0 HB3 PRO A 2 -14.587 -7.462 6.923 1.00 3.63 H new ATOM 0 HG2 PRO A 2 -12.635 -8.109 4.638 1.00 3.76 H new ATOM 0 HG3 PRO A 2 -12.357 -7.065 6.018 1.00 3.76 H new ATOM 0 HD2 PRO A 2 -11.644 -9.764 5.977 1.00 2.86 H new ATOM 0 HD3 PRO A 2 -11.939 -8.871 7.456 1.00 2.86 H new ATOM 25 N SER A 3 -15.091 -9.282 3.542 1.00 1.29 N ATOM 26 CA SER A 3 -15.012 -9.720 2.155 1.00 1.10 C ATOM 27 C SER A 3 -13.823 -9.030 1.489 1.00 0.91 C ATOM 28 O SER A 3 -13.014 -8.385 2.157 1.00 1.00 O ATOM 29 CB SER A 3 -16.325 -9.371 1.448 1.00 1.50 C ATOM 30 OG SER A 3 -17.386 -10.048 2.084 1.00 2.01 O ATOM 0 H SER A 3 -15.425 -8.324 3.646 1.00 1.29 H new ATOM 0 HA SER A 3 -14.865 -10.798 2.095 1.00 1.10 H new ATOM 0 HB2 SER A 3 -16.494 -8.295 1.479 1.00 1.50 H new ATOM 0 HB3 SER A 3 -16.273 -9.656 0.397 1.00 1.50 H new ATOM 0 HG SER A 3 -18.230 -9.827 1.637 1.00 2.01 H new ATOM 36 N TYR A 4 -13.689 -9.182 0.170 1.00 0.82 N ATOM 37 CA TYR A 4 -12.623 -8.581 -0.594 1.00 0.74 C ATOM 38 C TYR A 4 -13.270 -8.004 -1.844 1.00 0.70 C ATOM 39 O TYR A 4 -14.043 -8.702 -2.501 1.00 0.84 O ATOM 40 CB TYR A 4 -11.589 -9.657 -0.955 1.00 0.88 C ATOM 41 CG TYR A 4 -11.482 -10.829 0.010 1.00 1.10 C ATOM 42 CD1 TYR A 4 -12.099 -12.054 -0.305 1.00 1.80 C ATOM 43 CD2 TYR A 4 -10.808 -10.692 1.236 1.00 2.09 C ATOM 44 CE1 TYR A 4 -12.008 -13.148 0.572 1.00 2.04 C ATOM 45 CE2 TYR A 4 -10.727 -11.772 2.132 1.00 2.39 C ATOM 46 CZ TYR A 4 -11.316 -13.013 1.795 1.00 1.86 C ATOM 47 OH TYR A 4 -11.220 -14.078 2.640 1.00 2.28 O ATOM 0 H TYR A 4 -14.333 -9.736 -0.394 1.00 0.82 H new ATOM 0 HA TYR A 4 -12.104 -7.801 -0.037 1.00 0.74 H new ATOM 0 HB2 TYR A 4 -11.830 -10.047 -1.944 1.00 0.88 H new ATOM 0 HB3 TYR A 4 -10.611 -9.182 -1.029 1.00 0.88 H new ATOM 0 HD1 TYR A 4 -12.648 -12.154 -1.230 1.00 1.80 H new ATOM 0 HD2 TYR A 4 -10.348 -9.749 1.492 1.00 2.09 H new ATOM 0 HE1 TYR A 4 -12.467 -14.090 0.311 1.00 2.04 H new ATOM 0 HE2 TYR A 4 -10.216 -11.654 3.076 1.00 2.39 H new ATOM 0 HH TYR A 4 -10.711 -13.819 3.437 1.00 2.28 H new ATOM 57 N HIS A 5 -12.965 -6.755 -2.187 1.00 0.65 N ATOM 58 CA HIS A 5 -13.526 -6.090 -3.346 1.00 0.65 C ATOM 59 C HIS A 5 -12.357 -5.576 -4.174 1.00 0.64 C ATOM 60 O HIS A 5 -11.367 -5.106 -3.619 1.00 0.91 O ATOM 61 CB HIS A 5 -14.451 -4.952 -2.889 1.00 0.70 C ATOM 62 CG HIS A 5 -15.510 -4.588 -3.901 1.00 0.79 C ATOM 63 ND1 HIS A 5 -16.868 -4.614 -3.673 1.00 1.10 N ATOM 64 CD2 HIS A 5 -15.315 -4.192 -5.199 1.00 0.74 C ATOM 65 CE1 HIS A 5 -17.477 -4.250 -4.815 1.00 1.15 C ATOM 66 NE2 HIS A 5 -16.574 -3.993 -5.774 1.00 0.92 N ATOM 0 H HIS A 5 -12.314 -6.175 -1.658 1.00 0.65 H new ATOM 0 HA HIS A 5 -14.130 -6.767 -3.950 1.00 0.65 H new ATOM 0 HB2 HIS A 5 -14.936 -5.242 -1.957 1.00 0.70 H new ATOM 0 HB3 HIS A 5 -13.848 -4.070 -2.674 1.00 0.70 H new ATOM 0 HD2 HIS A 5 -14.362 -4.058 -5.689 1.00 0.74 H new ATOM 0 HE1 HIS A 5 -18.547 -4.175 -4.943 1.00 1.15 H new ATOM 0 HE2 HIS A 5 -16.768 -3.708 -6.734 1.00 0.92 H new ATOM 74 N VAL A 6 -12.453 -5.658 -5.500 1.00 0.54 N ATOM 75 CA VAL A 6 -11.418 -5.144 -6.382 1.00 0.51 C ATOM 76 C VAL A 6 -12.014 -4.074 -7.285 1.00 0.50 C ATOM 77 O VAL A 6 -13.124 -4.247 -7.784 1.00 0.55 O ATOM 78 CB VAL A 6 -10.801 -6.295 -7.179 1.00 0.61 C ATOM 79 CG1 VAL A 6 -9.829 -5.759 -8.231 1.00 1.30 C ATOM 80 CG2 VAL A 6 -10.044 -7.231 -6.235 1.00 1.58 C ATOM 0 H VAL A 6 -13.245 -6.080 -5.986 1.00 0.54 H new ATOM 0 HA VAL A 6 -10.618 -4.684 -5.802 1.00 0.51 H new ATOM 0 HB VAL A 6 -11.605 -6.838 -7.677 1.00 0.61 H new ATOM 0 HG11 VAL A 6 -9.400 -6.592 -8.788 1.00 1.30 H new ATOM 0 HG12 VAL A 6 -10.362 -5.100 -8.917 1.00 1.30 H new ATOM 0 HG13 VAL A 6 -9.031 -5.202 -7.739 1.00 1.30 H new ATOM 0 HG21 VAL A 6 -9.606 -8.049 -6.807 1.00 1.58 H new ATOM 0 HG22 VAL A 6 -9.252 -6.677 -5.731 1.00 1.58 H new ATOM 0 HG23 VAL A 6 -10.733 -7.635 -5.493 1.00 1.58 H new ATOM 90 N VAL A 7 -11.282 -2.978 -7.502 1.00 0.48 N ATOM 91 CA VAL A 7 -11.747 -1.856 -8.299 1.00 0.52 C ATOM 92 C VAL A 7 -10.603 -1.462 -9.223 1.00 0.51 C ATOM 93 O VAL A 7 -9.516 -1.131 -8.761 1.00 0.59 O ATOM 94 CB VAL A 7 -12.138 -0.696 -7.366 1.00 0.64 C ATOM 95 CG1 VAL A 7 -12.594 0.536 -8.156 1.00 1.53 C ATOM 96 CG2 VAL A 7 -13.259 -1.107 -6.404 1.00 1.54 C ATOM 0 H VAL A 7 -10.344 -2.850 -7.123 1.00 0.48 H new ATOM 0 HA VAL A 7 -12.627 -2.114 -8.889 1.00 0.52 H new ATOM 0 HB VAL A 7 -11.244 -0.444 -6.796 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -12.862 1.334 -7.463 1.00 1.53 H new ATOM 0 HG12 VAL A 7 -11.784 0.874 -8.803 1.00 1.53 H new ATOM 0 HG13 VAL A 7 -13.461 0.278 -8.764 1.00 1.53 H new ATOM 0 HG21 VAL A 7 -13.512 -0.265 -5.759 1.00 1.54 H new ATOM 0 HG22 VAL A 7 -14.139 -1.403 -6.976 1.00 1.54 H new ATOM 0 HG23 VAL A 7 -12.925 -1.945 -5.793 1.00 1.54 H new ATOM 106 N ARG A 8 -10.811 -1.459 -10.538 1.00 0.60 N ATOM 107 CA ARG A 8 -9.752 -1.021 -11.430 1.00 0.66 C ATOM 108 C ARG A 8 -9.894 0.491 -11.493 1.00 0.63 C ATOM 109 O ARG A 8 -10.876 1.030 -11.993 1.00 0.79 O ATOM 110 CB ARG A 8 -9.784 -1.790 -12.766 1.00 0.97 C ATOM 111 CG ARG A 8 -10.279 -1.076 -14.038 1.00 1.61 C ATOM 112 CD ARG A 8 -10.941 -2.089 -14.971 1.00 2.04 C ATOM 113 NE ARG A 8 -12.282 -2.424 -14.471 1.00 2.88 N ATOM 114 CZ ARG A 8 -13.423 -1.775 -14.727 1.00 3.51 C ATOM 115 NH1 ARG A 8 -14.501 -2.025 -13.986 1.00 4.58 N ATOM 116 NH2 ARG A 8 -13.490 -0.886 -15.720 1.00 3.87 N ATOM 0 H ARG A 8 -11.677 -1.746 -10.994 1.00 0.60 H new ATOM 0 HA ARG A 8 -8.746 -1.253 -11.080 1.00 0.66 H new ATOM 0 HB2 ARG A 8 -8.773 -2.145 -12.963 1.00 0.97 H new ATOM 0 HB3 ARG A 8 -10.409 -2.671 -12.621 1.00 0.97 H new ATOM 0 HG2 ARG A 8 -10.989 -0.292 -13.774 1.00 1.61 H new ATOM 0 HG3 ARG A 8 -9.443 -0.592 -14.544 1.00 1.61 H new ATOM 0 HD2 ARG A 8 -11.011 -1.678 -15.978 1.00 2.04 H new ATOM 0 HD3 ARG A 8 -10.331 -2.990 -15.036 1.00 2.04 H new ATOM 0 HE ARG A 8 -12.350 -3.240 -13.863 1.00 2.88 H new ATOM 0 HH11 ARG A 8 -14.453 -2.707 -13.229 1.00 4.58 H new ATOM 0 HH12 ARG A 8 -15.375 -1.534 -14.175 1.00 4.58 H new ATOM 0 HH21 ARG A 8 -12.667 -0.697 -16.291 1.00 3.87 H new ATOM 0 HH22 ARG A 8 -14.365 -0.396 -15.908 1.00 3.87 H new ATOM 130 N GLY A 9 -8.944 1.175 -10.881 1.00 0.59 N ATOM 131 CA GLY A 9 -8.907 2.610 -10.813 1.00 0.61 C ATOM 132 C GLY A 9 -7.484 2.992 -10.464 1.00 0.56 C ATOM 133 O GLY A 9 -6.555 2.195 -10.616 1.00 0.69 O ATOM 0 H GLY A 9 -8.159 0.728 -10.407 1.00 0.59 H new ATOM 0 HA2 GLY A 9 -9.204 3.050 -11.765 1.00 0.61 H new ATOM 0 HA3 GLY A 9 -9.603 2.980 -10.060 1.00 0.61 H new ATOM 137 N ASP A 10 -7.330 4.213 -9.980 1.00 0.54 N ATOM 138 CA ASP A 10 -6.045 4.831 -9.736 1.00 0.52 C ATOM 139 C ASP A 10 -6.017 5.383 -8.314 1.00 0.45 C ATOM 140 O ASP A 10 -7.063 5.638 -7.715 1.00 0.43 O ATOM 141 CB ASP A 10 -5.811 5.929 -10.783 1.00 0.62 C ATOM 142 CG ASP A 10 -4.336 6.001 -11.153 1.00 1.42 C ATOM 143 OD1 ASP A 10 -4.034 5.802 -12.354 1.00 2.21 O ATOM 144 OD2 ASP A 10 -3.541 6.216 -10.210 1.00 2.55 O ATOM 0 H ASP A 10 -8.118 4.815 -9.741 1.00 0.54 H new ATOM 0 HA ASP A 10 -5.240 4.102 -9.827 1.00 0.52 H new ATOM 0 HB2 ASP A 10 -6.407 5.725 -11.673 1.00 0.62 H new ATOM 0 HB3 ASP A 10 -6.142 6.891 -10.391 1.00 0.62 H new ATOM 149 N ILE A 11 -4.819 5.595 -7.777 1.00 0.47 N ATOM 150 CA ILE A 11 -4.596 6.188 -6.461 1.00 0.48 C ATOM 151 C ILE A 11 -5.193 7.584 -6.420 1.00 0.49 C ATOM 152 O ILE A 11 -5.799 7.996 -5.436 1.00 0.58 O ATOM 153 CB ILE A 11 -3.085 6.221 -6.198 1.00 0.57 C ATOM 154 CG1 ILE A 11 -2.646 4.821 -5.750 1.00 1.39 C ATOM 155 CG2 ILE A 11 -2.656 7.269 -5.165 1.00 1.49 C ATOM 156 CD1 ILE A 11 -1.210 4.597 -6.200 1.00 2.73 C ATOM 0 H ILE A 11 -3.953 5.353 -8.258 1.00 0.47 H new ATOM 0 HA ILE A 11 -5.082 5.597 -5.684 1.00 0.48 H new ATOM 0 HB ILE A 11 -2.595 6.514 -7.127 1.00 0.57 H new ATOM 0 HG12 ILE A 11 -2.722 4.729 -4.667 1.00 1.39 H new ATOM 0 HG13 ILE A 11 -3.300 4.063 -6.181 1.00 1.39 H new ATOM 0 HG21 ILE A 11 -1.575 7.230 -5.035 1.00 1.49 H new ATOM 0 HG22 ILE A 11 -2.944 8.261 -5.512 1.00 1.49 H new ATOM 0 HG23 ILE A 11 -3.144 7.062 -4.213 1.00 1.49 H new ATOM 0 HD11 ILE A 11 -0.882 3.605 -5.889 1.00 2.73 H new ATOM 0 HD12 ILE A 11 -1.153 4.674 -7.286 1.00 2.73 H new ATOM 0 HD13 ILE A 11 -0.565 5.351 -5.748 1.00 2.73 H new ATOM 168 N ALA A 12 -5.028 8.319 -7.513 1.00 0.52 N ATOM 169 CA ALA A 12 -5.525 9.682 -7.611 1.00 0.63 C ATOM 170 C ALA A 12 -7.056 9.733 -7.717 1.00 0.64 C ATOM 171 O ALA A 12 -7.628 10.820 -7.773 1.00 0.82 O ATOM 172 CB ALA A 12 -4.860 10.405 -8.784 1.00 0.76 C ATOM 0 H ALA A 12 -4.549 7.988 -8.350 1.00 0.52 H new ATOM 0 HA ALA A 12 -5.260 10.200 -6.689 1.00 0.63 H new ATOM 0 HB1 ALA A 12 -5.241 11.424 -8.846 1.00 0.76 H new ATOM 0 HB2 ALA A 12 -3.781 10.429 -8.632 1.00 0.76 H new ATOM 0 HB3 ALA A 12 -5.084 9.877 -9.711 1.00 0.76 H new ATOM 178 N THR A 13 -7.724 8.578 -7.725 1.00 0.52 N ATOM 179 CA THR A 13 -9.173 8.462 -7.681 1.00 0.53 C ATOM 180 C THR A 13 -9.595 7.548 -6.529 1.00 0.55 C ATOM 181 O THR A 13 -10.741 7.116 -6.481 1.00 0.52 O ATOM 182 CB THR A 13 -9.677 7.921 -9.027 1.00 0.53 C ATOM 183 OG1 THR A 13 -8.934 6.779 -9.410 1.00 0.54 O ATOM 184 CG2 THR A 13 -9.537 8.972 -10.128 1.00 0.61 C ATOM 0 H THR A 13 -7.253 7.674 -7.763 1.00 0.52 H new ATOM 0 HA THR A 13 -9.615 9.443 -7.508 1.00 0.53 H new ATOM 0 HB THR A 13 -10.728 7.662 -8.900 1.00 0.53 H new ATOM 0 HG1 THR A 13 -8.422 6.450 -8.642 1.00 0.54 H new ATOM 0 HG21 THR A 13 -9.901 8.563 -11.070 1.00 0.61 H new ATOM 0 HG22 THR A 13 -10.121 9.854 -9.866 1.00 0.61 H new ATOM 0 HG23 THR A 13 -8.488 9.250 -10.234 1.00 0.61 H new ATOM 192 N ALA A 14 -8.686 7.228 -5.602 1.00 0.64 N ATOM 193 CA ALA A 14 -8.944 6.302 -4.516 1.00 0.68 C ATOM 194 C ALA A 14 -9.588 7.043 -3.356 1.00 0.66 C ATOM 195 O ALA A 14 -9.059 7.113 -2.253 1.00 0.75 O ATOM 196 CB ALA A 14 -7.643 5.604 -4.103 1.00 0.77 C ATOM 0 H ALA A 14 -7.742 7.614 -5.593 1.00 0.64 H new ATOM 0 HA ALA A 14 -9.639 5.529 -4.843 1.00 0.68 H new ATOM 0 HB1 ALA A 14 -7.845 4.910 -3.287 1.00 0.77 H new ATOM 0 HB2 ALA A 14 -7.239 5.055 -4.954 1.00 0.77 H new ATOM 0 HB3 ALA A 14 -6.919 6.349 -3.774 1.00 0.77 H new ATOM 202 N THR A 15 -10.760 7.611 -3.586 1.00 0.59 N ATOM 203 CA THR A 15 -11.460 8.405 -2.594 1.00 0.60 C ATOM 204 C THR A 15 -12.172 7.545 -1.540 1.00 0.55 C ATOM 205 O THR A 15 -13.235 7.938 -1.065 1.00 0.57 O ATOM 206 CB THR A 15 -12.438 9.314 -3.344 1.00 0.66 C ATOM 207 OG1 THR A 15 -13.227 8.555 -4.234 1.00 1.12 O ATOM 208 CG2 THR A 15 -11.673 10.358 -4.161 1.00 0.89 C ATOM 0 H THR A 15 -11.255 7.532 -4.474 1.00 0.59 H new ATOM 0 HA THR A 15 -10.742 9.000 -2.030 1.00 0.60 H new ATOM 0 HB THR A 15 -13.072 9.806 -2.606 1.00 0.66 H new ATOM 0 HG1 THR A 15 -13.849 9.147 -4.706 1.00 1.12 H new ATOM 0 HG21 THR A 15 -12.381 10.997 -4.689 1.00 0.89 H new ATOM 0 HG22 THR A 15 -11.063 10.966 -3.494 1.00 0.89 H new ATOM 0 HG23 THR A 15 -11.030 9.855 -4.883 1.00 0.89 H new ATOM 216 N GLU A 16 -11.581 6.432 -1.093 1.00 0.55 N ATOM 217 CA GLU A 16 -12.191 5.474 -0.161 1.00 0.56 C ATOM 218 C GLU A 16 -12.155 5.964 1.290 1.00 0.62 C ATOM 219 O GLU A 16 -12.101 5.176 2.231 1.00 0.67 O ATOM 220 CB GLU A 16 -11.442 4.132 -0.284 1.00 0.57 C ATOM 221 CG GLU A 16 -12.394 2.962 -0.555 1.00 0.71 C ATOM 222 CD GLU A 16 -12.897 2.992 -1.996 1.00 1.57 C ATOM 223 OE1 GLU A 16 -13.637 3.941 -2.331 1.00 2.60 O ATOM 224 OE2 GLU A 16 -12.476 2.102 -2.770 1.00 2.61 O ATOM 0 H GLU A 16 -10.639 6.164 -1.377 1.00 0.55 H new ATOM 0 HA GLU A 16 -13.242 5.359 -0.426 1.00 0.56 H new ATOM 0 HB2 GLU A 16 -10.711 4.198 -1.090 1.00 0.57 H new ATOM 0 HB3 GLU A 16 -10.887 3.942 0.635 1.00 0.57 H new ATOM 0 HG2 GLU A 16 -11.882 2.019 -0.364 1.00 0.71 H new ATOM 0 HG3 GLU A 16 -13.240 3.010 0.131 1.00 0.71 H new ATOM 231 N GLY A 17 -12.085 7.276 1.504 1.00 0.67 N ATOM 232 CA GLY A 17 -11.728 7.829 2.795 1.00 0.70 C ATOM 233 C GLY A 17 -10.211 7.853 2.937 1.00 0.70 C ATOM 234 O GLY A 17 -9.655 8.890 3.289 1.00 0.85 O ATOM 0 H GLY A 17 -12.274 7.977 0.787 1.00 0.67 H new ATOM 0 HA2 GLY A 17 -12.129 8.838 2.894 1.00 0.70 H new ATOM 0 HA3 GLY A 17 -12.169 7.231 3.593 1.00 0.70 H new ATOM 238 N VAL A 18 -9.555 6.722 2.662 1.00 0.61 N ATOM 239 CA VAL A 18 -8.181 6.448 3.028 1.00 0.61 C ATOM 240 C VAL A 18 -7.509 5.765 1.844 1.00 0.53 C ATOM 241 O VAL A 18 -8.146 5.001 1.119 1.00 0.56 O ATOM 242 CB VAL A 18 -8.174 5.516 4.250 1.00 0.74 C ATOM 243 CG1 VAL A 18 -6.751 5.205 4.738 1.00 0.76 C ATOM 244 CG2 VAL A 18 -8.957 6.105 5.422 1.00 1.23 C ATOM 0 H VAL A 18 -9.991 5.949 2.159 1.00 0.61 H new ATOM 0 HA VAL A 18 -7.648 7.365 3.277 1.00 0.61 H new ATOM 0 HB VAL A 18 -8.651 4.596 3.912 1.00 0.74 H new ATOM 0 HG11 VAL A 18 -6.799 4.543 5.603 1.00 0.76 H new ATOM 0 HG12 VAL A 18 -6.191 4.718 3.940 1.00 0.76 H new ATOM 0 HG13 VAL A 18 -6.252 6.132 5.018 1.00 0.76 H new ATOM 0 HG21 VAL A 18 -8.926 5.414 6.264 1.00 1.23 H new ATOM 0 HG22 VAL A 18 -8.512 7.055 5.716 1.00 1.23 H new ATOM 0 HG23 VAL A 18 -9.993 6.267 5.123 1.00 1.23 H new ATOM 254 N ILE A 19 -6.215 6.032 1.685 1.00 0.50 N ATOM 255 CA ILE A 19 -5.359 5.537 0.626 1.00 0.51 C ATOM 256 C ILE A 19 -4.060 5.130 1.304 1.00 0.53 C ATOM 257 O ILE A 19 -3.590 5.868 2.166 1.00 0.52 O ATOM 258 CB ILE A 19 -5.078 6.669 -0.384 1.00 0.55 C ATOM 259 CG1 ILE A 19 -6.385 7.303 -0.885 1.00 0.58 C ATOM 260 CG2 ILE A 19 -4.252 6.152 -1.569 1.00 0.72 C ATOM 261 CD1 ILE A 19 -6.193 8.466 -1.868 1.00 1.24 C ATOM 0 H ILE A 19 -5.712 6.637 2.335 1.00 0.50 H new ATOM 0 HA ILE A 19 -5.817 4.706 0.089 1.00 0.51 H new ATOM 0 HB ILE A 19 -4.502 7.436 0.133 1.00 0.55 H new ATOM 0 HG12 ILE A 19 -6.986 6.532 -1.367 1.00 0.58 H new ATOM 0 HG13 ILE A 19 -6.953 7.660 -0.026 1.00 0.58 H new ATOM 0 HG21 ILE A 19 -4.067 6.968 -2.267 1.00 0.72 H new ATOM 0 HG22 ILE A 19 -3.301 5.762 -1.207 1.00 0.72 H new ATOM 0 HG23 ILE A 19 -4.801 5.358 -2.076 1.00 0.72 H new ATOM 0 HD11 ILE A 19 -7.167 8.852 -2.169 1.00 1.24 H new ATOM 0 HD12 ILE A 19 -5.621 9.259 -1.386 1.00 1.24 H new ATOM 0 HD13 ILE A 19 -5.655 8.114 -2.748 1.00 1.24 H new ATOM 273 N ILE A 20 -3.446 4.018 0.902 1.00 0.59 N ATOM 274 CA ILE A 20 -2.083 3.705 1.290 1.00 0.55 C ATOM 275 C ILE A 20 -1.268 3.774 0.010 1.00 0.57 C ATOM 276 O ILE A 20 -1.715 3.304 -1.033 1.00 0.64 O ATOM 277 CB ILE A 20 -1.976 2.324 1.964 1.00 0.57 C ATOM 278 CG1 ILE A 20 -2.807 2.198 3.251 1.00 0.62 C ATOM 279 CG2 ILE A 20 -0.524 2.040 2.367 1.00 0.64 C ATOM 280 CD1 ILE A 20 -4.272 1.883 2.992 1.00 0.64 C ATOM 0 H ILE A 20 -3.881 3.317 0.302 1.00 0.59 H new ATOM 0 HA ILE A 20 -1.714 4.409 2.035 1.00 0.55 H new ATOM 0 HB ILE A 20 -2.353 1.620 1.222 1.00 0.57 H new ATOM 0 HG12 ILE A 20 -2.379 1.415 3.876 1.00 0.62 H new ATOM 0 HG13 ILE A 20 -2.737 3.129 3.813 1.00 0.62 H new ATOM 0 HG21 ILE A 20 -0.463 1.061 2.842 1.00 0.64 H new ATOM 0 HG22 ILE A 20 0.109 2.053 1.480 1.00 0.64 H new ATOM 0 HG23 ILE A 20 -0.184 2.804 3.066 1.00 0.64 H new ATOM 0 HD11 ILE A 20 -4.801 1.807 3.942 1.00 0.64 H new ATOM 0 HD12 ILE A 20 -4.715 2.678 2.392 1.00 0.64 H new ATOM 0 HD13 ILE A 20 -4.352 0.937 2.456 1.00 0.64 H new ATOM 292 N ASN A 21 -0.080 4.362 0.089 1.00 0.54 N ATOM 293 CA ASN A 21 0.863 4.417 -1.010 1.00 0.59 C ATOM 294 C ASN A 21 2.236 4.028 -0.478 1.00 0.55 C ATOM 295 O ASN A 21 2.478 4.114 0.728 1.00 0.57 O ATOM 296 CB ASN A 21 0.873 5.828 -1.612 1.00 0.67 C ATOM 297 CG ASN A 21 1.329 5.816 -3.062 1.00 1.04 C ATOM 298 OD1 ASN A 21 1.762 4.796 -3.589 1.00 1.95 O ATOM 299 ND2 ASN A 21 1.223 6.949 -3.741 1.00 1.65 N ATOM 0 H ASN A 21 0.256 4.821 0.936 1.00 0.54 H new ATOM 0 HA ASN A 21 0.578 3.724 -1.802 1.00 0.59 H new ATOM 0 HB2 ASN A 21 -0.126 6.258 -1.548 1.00 0.67 H new ATOM 0 HB3 ASN A 21 1.534 6.469 -1.028 1.00 0.67 H new ATOM 0 HD21 ASN A 21 1.504 6.985 -4.721 1.00 1.65 H new ATOM 0 HD22 ASN A 21 0.860 7.786 -3.284 1.00 1.65 H new ATOM 306 N ALA A 22 3.143 3.606 -1.356 1.00 0.63 N ATOM 307 CA ALA A 22 4.522 3.411 -0.950 1.00 0.69 C ATOM 308 C ALA A 22 5.149 4.768 -0.638 1.00 0.88 C ATOM 309 O ALA A 22 4.658 5.812 -1.057 1.00 1.88 O ATOM 310 CB ALA A 22 5.298 2.684 -2.049 1.00 1.02 C ATOM 0 H ALA A 22 2.948 3.397 -2.335 1.00 0.63 H new ATOM 0 HA ALA A 22 4.559 2.793 -0.053 1.00 0.69 H new ATOM 0 HB1 ALA A 22 6.332 2.544 -1.733 1.00 1.02 H new ATOM 0 HB2 ALA A 22 4.840 1.712 -2.236 1.00 1.02 H new ATOM 0 HB3 ALA A 22 5.276 3.277 -2.963 1.00 1.02 H new ATOM 316 N ALA A 23 6.244 4.749 0.106 1.00 0.43 N ATOM 317 CA ALA A 23 6.975 5.944 0.488 1.00 0.59 C ATOM 318 C ALA A 23 8.428 5.578 0.737 1.00 0.52 C ATOM 319 O ALA A 23 9.352 6.213 0.233 1.00 0.63 O ATOM 320 CB ALA A 23 6.332 6.534 1.739 1.00 0.89 C ATOM 0 H ALA A 23 6.655 3.888 0.466 1.00 0.43 H new ATOM 0 HA ALA A 23 6.940 6.690 -0.306 1.00 0.59 H new ATOM 0 HB1 ALA A 23 6.872 7.433 2.036 1.00 0.89 H new ATOM 0 HB2 ALA A 23 5.293 6.788 1.529 1.00 0.89 H new ATOM 0 HB3 ALA A 23 6.371 5.803 2.547 1.00 0.89 H new ATOM 326 N ASN A 24 8.632 4.514 1.513 1.00 0.48 N ATOM 327 CA ASN A 24 9.956 4.029 1.855 1.00 0.49 C ATOM 328 C ASN A 24 10.642 5.076 2.725 1.00 0.55 C ATOM 329 O ASN A 24 10.054 6.100 3.070 1.00 0.66 O ATOM 330 CB ASN A 24 10.729 3.648 0.581 1.00 0.60 C ATOM 331 CG ASN A 24 9.826 2.884 -0.388 1.00 1.03 C ATOM 332 OD1 ASN A 24 9.105 1.978 0.011 1.00 1.33 O ATOM 333 ND2 ASN A 24 9.771 3.281 -1.652 1.00 1.62 N ATOM 0 H ASN A 24 7.875 3.966 1.921 1.00 0.48 H new ATOM 0 HA ASN A 24 9.908 3.111 2.441 1.00 0.49 H new ATOM 0 HB2 ASN A 24 11.111 4.547 0.098 1.00 0.60 H new ATOM 0 HB3 ASN A 24 11.592 3.035 0.842 1.00 0.60 H new ATOM 0 HD21 ASN A 24 9.125 2.831 -2.300 1.00 1.62 H new ATOM 0 HD22 ASN A 24 10.375 4.036 -1.976 1.00 1.62 H new ATOM 340 N SER A 25 11.900 4.853 3.085 1.00 0.61 N ATOM 341 CA SER A 25 12.633 5.833 3.870 1.00 0.78 C ATOM 342 C SER A 25 12.858 7.139 3.100 1.00 0.93 C ATOM 343 O SER A 25 13.292 8.123 3.689 1.00 1.09 O ATOM 344 CB SER A 25 13.949 5.217 4.344 1.00 0.91 C ATOM 345 OG SER A 25 14.477 4.364 3.341 1.00 1.61 O ATOM 0 H SER A 25 12.427 4.012 2.849 1.00 0.61 H new ATOM 0 HA SER A 25 12.034 6.101 4.741 1.00 0.78 H new ATOM 0 HB2 SER A 25 14.665 6.005 4.576 1.00 0.91 H new ATOM 0 HB3 SER A 25 13.786 4.653 5.263 1.00 0.91 H new ATOM 0 HG SER A 25 15.321 3.975 3.653 1.00 1.61 H new ATOM 351 N LYS A 26 12.556 7.169 1.796 1.00 0.97 N ATOM 352 CA LYS A 26 12.678 8.342 0.943 1.00 1.18 C ATOM 353 C LYS A 26 11.409 9.196 0.974 1.00 1.17 C ATOM 354 O LYS A 26 11.427 10.314 0.476 1.00 1.34 O ATOM 355 CB LYS A 26 12.952 7.893 -0.500 1.00 1.22 C ATOM 356 CG LYS A 26 14.112 6.891 -0.582 1.00 1.38 C ATOM 357 CD LYS A 26 14.355 6.448 -2.027 1.00 1.68 C ATOM 358 CE LYS A 26 15.128 5.126 -2.005 1.00 1.75 C ATOM 359 NZ LYS A 26 15.358 4.596 -3.365 1.00 2.30 N ATOM 0 H LYS A 26 12.210 6.349 1.297 1.00 0.97 H new ATOM 0 HA LYS A 26 13.503 8.948 1.317 1.00 1.18 H new ATOM 0 HB2 LYS A 26 12.052 7.440 -0.915 1.00 1.22 H new ATOM 0 HB3 LYS A 26 13.182 8.764 -1.113 1.00 1.22 H new ATOM 0 HG2 LYS A 26 15.018 7.345 -0.180 1.00 1.38 H new ATOM 0 HG3 LYS A 26 13.890 6.021 0.036 1.00 1.38 H new ATOM 0 HD2 LYS A 26 13.407 6.324 -2.550 1.00 1.68 H new ATOM 0 HD3 LYS A 26 14.920 7.208 -2.567 1.00 1.68 H new ATOM 0 HE2 LYS A 26 16.086 5.275 -1.507 1.00 1.75 H new ATOM 0 HE3 LYS A 26 14.575 4.392 -1.419 1.00 1.75 H new ATOM 0 HZ1 LYS A 26 15.884 3.701 -3.304 1.00 2.30 H new ATOM 0 HZ2 LYS A 26 14.444 4.429 -3.832 1.00 2.30 H new ATOM 0 HZ3 LYS A 26 15.908 5.284 -3.917 1.00 2.30 H new ATOM 373 N GLY A 27 10.291 8.659 1.470 1.00 1.04 N ATOM 374 CA GLY A 27 9.030 9.380 1.507 1.00 1.12 C ATOM 375 C GLY A 27 8.261 9.320 0.189 1.00 1.14 C ATOM 376 O GLY A 27 7.166 9.874 0.102 1.00 1.39 O ATOM 0 H GLY A 27 10.241 7.715 1.854 1.00 1.04 H new ATOM 0 HA2 GLY A 27 8.408 8.969 2.302 1.00 1.12 H new ATOM 0 HA3 GLY A 27 9.223 10.423 1.760 1.00 1.12 H new ATOM 380 N GLN A 28 8.814 8.674 -0.840 1.00 0.99 N ATOM 381 CA GLN A 28 8.373 8.818 -2.214 1.00 1.01 C ATOM 382 C GLN A 28 7.848 7.478 -2.731 1.00 0.87 C ATOM 383 O GLN A 28 8.572 6.480 -2.696 1.00 0.87 O ATOM 384 CB GLN A 28 9.564 9.307 -3.047 1.00 1.17 C ATOM 385 CG GLN A 28 9.161 9.576 -4.501 1.00 1.05 C ATOM 386 CD GLN A 28 10.344 10.038 -5.348 1.00 1.29 C ATOM 387 OE1 GLN A 28 11.367 10.477 -4.839 1.00 1.85 O ATOM 388 NE2 GLN A 28 10.236 9.929 -6.666 1.00 1.94 N ATOM 0 H GLN A 28 9.594 8.026 -0.731 1.00 0.99 H new ATOM 0 HA GLN A 28 7.561 9.541 -2.287 1.00 1.01 H new ATOM 0 HB2 GLN A 28 9.968 10.218 -2.606 1.00 1.17 H new ATOM 0 HB3 GLN A 28 10.358 8.561 -3.021 1.00 1.17 H new ATOM 0 HG2 GLN A 28 8.738 8.669 -4.933 1.00 1.05 H new ATOM 0 HG3 GLN A 28 8.379 10.335 -4.526 1.00 1.05 H new ATOM 0 HE21 GLN A 28 9.379 9.562 -7.079 1.00 1.94 H new ATOM 0 HE22 GLN A 28 11.010 10.212 -7.266 1.00 1.94 H new ATOM 397 N PRO A 29 6.613 7.432 -3.249 1.00 0.83 N ATOM 398 CA PRO A 29 6.070 6.223 -3.833 1.00 0.79 C ATOM 399 C PRO A 29 6.850 5.859 -5.090 1.00 0.88 C ATOM 400 O PRO A 29 6.781 6.553 -6.106 1.00 1.22 O ATOM 401 CB PRO A 29 4.599 6.512 -4.130 1.00 0.82 C ATOM 402 CG PRO A 29 4.527 8.034 -4.206 1.00 0.94 C ATOM 403 CD PRO A 29 5.638 8.508 -3.274 1.00 0.93 C ATOM 0 HA PRO A 29 6.152 5.368 -3.162 1.00 0.79 H new ATOM 0 HB2 PRO A 29 4.283 6.051 -5.066 1.00 0.82 H new ATOM 0 HB3 PRO A 29 3.950 6.121 -3.347 1.00 0.82 H new ATOM 0 HG2 PRO A 29 4.683 8.390 -5.224 1.00 0.94 H new ATOM 0 HG3 PRO A 29 3.553 8.403 -3.885 1.00 0.94 H new ATOM 0 HD2 PRO A 29 6.085 9.434 -3.636 1.00 0.93 H new ATOM 0 HD3 PRO A 29 5.252 8.710 -2.275 1.00 0.93 H new ATOM 411 N GLY A 30 7.599 4.760 -5.011 1.00 0.88 N ATOM 412 CA GLY A 30 8.387 4.278 -6.132 1.00 1.03 C ATOM 413 C GLY A 30 7.503 3.954 -7.335 1.00 1.29 C ATOM 414 O GLY A 30 6.492 3.271 -7.191 1.00 1.92 O ATOM 0 H GLY A 30 7.673 4.186 -4.171 1.00 0.88 H new ATOM 0 HA2 GLY A 30 9.123 5.031 -6.412 1.00 1.03 H new ATOM 0 HA3 GLY A 30 8.940 3.387 -5.834 1.00 1.03 H new ATOM 418 N GLY A 31 7.908 4.397 -8.529 1.00 1.24 N ATOM 419 CA GLY A 31 7.345 3.921 -9.783 1.00 1.90 C ATOM 420 C GLY A 31 6.925 5.068 -10.684 1.00 1.24 C ATOM 421 O GLY A 31 7.566 5.329 -11.695 1.00 2.32 O ATOM 0 H GLY A 31 8.639 5.099 -8.647 1.00 1.24 H new ATOM 0 HA2 GLY A 31 8.079 3.303 -10.300 1.00 1.90 H new ATOM 0 HA3 GLY A 31 6.483 3.286 -9.577 1.00 1.90 H new ATOM 425 N GLY A 32 5.824 5.734 -10.342 1.00 1.02 N ATOM 426 CA GLY A 32 5.213 6.688 -11.260 1.00 1.20 C ATOM 427 C GLY A 32 3.947 7.319 -10.697 1.00 1.03 C ATOM 428 O GLY A 32 3.631 8.460 -11.019 1.00 1.05 O ATOM 0 H GLY A 32 5.343 5.632 -9.448 1.00 1.02 H new ATOM 0 HA2 GLY A 32 5.932 7.473 -11.493 1.00 1.20 H new ATOM 0 HA3 GLY A 32 4.977 6.184 -12.197 1.00 1.20 H new ATOM 432 N VAL A 33 3.225 6.609 -9.826 1.00 0.97 N ATOM 433 CA VAL A 33 2.019 7.135 -9.194 1.00 0.85 C ATOM 434 C VAL A 33 2.289 8.403 -8.384 1.00 0.77 C ATOM 435 O VAL A 33 1.374 9.193 -8.173 1.00 0.73 O ATOM 436 CB VAL A 33 1.340 6.045 -8.348 1.00 0.93 C ATOM 437 CG1 VAL A 33 0.858 4.908 -9.258 1.00 1.81 C ATOM 438 CG2 VAL A 33 2.278 5.482 -7.273 1.00 1.70 C ATOM 0 H VAL A 33 3.461 5.658 -9.542 1.00 0.97 H new ATOM 0 HA VAL A 33 1.331 7.429 -9.987 1.00 0.85 H new ATOM 0 HB VAL A 33 0.492 6.504 -7.840 1.00 0.93 H new ATOM 0 HG11 VAL A 33 0.378 4.138 -8.655 1.00 1.81 H new ATOM 0 HG12 VAL A 33 0.144 5.300 -9.982 1.00 1.81 H new ATOM 0 HG13 VAL A 33 1.710 4.478 -9.785 1.00 1.81 H new ATOM 0 HG21 VAL A 33 1.756 4.716 -6.700 1.00 1.70 H new ATOM 0 HG22 VAL A 33 3.156 5.045 -7.749 1.00 1.70 H new ATOM 0 HG23 VAL A 33 2.590 6.285 -6.605 1.00 1.70 H new ATOM 448 N CYS A 34 3.544 8.642 -7.988 1.00 0.85 N ATOM 449 CA CYS A 34 3.989 9.898 -7.404 1.00 0.92 C ATOM 450 C CYS A 34 3.482 11.103 -8.208 1.00 0.91 C ATOM 451 O CYS A 34 3.124 12.126 -7.632 1.00 0.98 O ATOM 452 CB CYS A 34 5.524 9.881 -7.344 1.00 1.11 C ATOM 453 SG CYS A 34 6.110 11.141 -6.188 1.00 1.82 S ATOM 0 H CYS A 34 4.289 7.950 -8.069 1.00 0.85 H new ATOM 0 HA CYS A 34 3.578 9.999 -6.400 1.00 0.92 H new ATOM 0 HB2 CYS A 34 5.873 8.897 -7.031 1.00 1.11 H new ATOM 0 HB3 CYS A 34 5.937 10.065 -8.336 1.00 1.11 H new ATOM 0 HG CYS A 34 7.399 11.264 -6.298 1.00 1.82 H new ATOM 459 N GLY A 35 3.469 10.990 -9.538 1.00 0.93 N ATOM 460 CA GLY A 35 3.110 12.074 -10.435 1.00 1.02 C ATOM 461 C GLY A 35 1.605 12.307 -10.458 1.00 0.91 C ATOM 462 O GLY A 35 1.156 13.447 -10.414 1.00 0.98 O ATOM 0 H GLY A 35 3.713 10.126 -10.023 1.00 0.93 H new ATOM 0 HA2 GLY A 35 3.616 12.988 -10.123 1.00 1.02 H new ATOM 0 HA3 GLY A 35 3.459 11.845 -11.442 1.00 1.02 H new ATOM 466 N ALA A 36 0.805 11.241 -10.535 1.00 0.80 N ATOM 467 CA ALA A 36 -0.647 11.376 -10.549 1.00 0.73 C ATOM 468 C ALA A 36 -1.113 11.969 -9.231 1.00 0.67 C ATOM 469 O ALA A 36 -1.884 12.930 -9.204 1.00 0.67 O ATOM 470 CB ALA A 36 -1.297 10.008 -10.779 1.00 0.72 C ATOM 0 H ALA A 36 1.140 10.279 -10.588 1.00 0.80 H new ATOM 0 HA ALA A 36 -0.942 12.040 -11.361 1.00 0.73 H new ATOM 0 HB1 ALA A 36 -2.381 10.117 -10.788 1.00 0.72 H new ATOM 0 HB2 ALA A 36 -0.965 9.604 -11.735 1.00 0.72 H new ATOM 0 HB3 ALA A 36 -1.008 9.328 -9.978 1.00 0.72 H new ATOM 476 N LEU A 37 -0.624 11.398 -8.132 1.00 0.63 N ATOM 477 CA LEU A 37 -0.986 11.847 -6.810 1.00 0.60 C ATOM 478 C LEU A 37 -0.597 13.299 -6.626 1.00 0.66 C ATOM 479 O LEU A 37 -1.399 14.063 -6.124 1.00 0.73 O ATOM 480 CB LEU A 37 -0.348 10.949 -5.747 1.00 0.62 C ATOM 481 CG LEU A 37 -0.771 11.342 -4.321 1.00 0.65 C ATOM 482 CD1 LEU A 37 -2.285 11.224 -4.138 1.00 0.89 C ATOM 483 CD2 LEU A 37 -0.104 10.377 -3.341 1.00 0.66 C ATOM 0 H LEU A 37 0.030 10.616 -8.143 1.00 0.63 H new ATOM 0 HA LEU A 37 -2.067 11.776 -6.692 1.00 0.60 H new ATOM 0 HB2 LEU A 37 -0.628 9.912 -5.934 1.00 0.62 H new ATOM 0 HB3 LEU A 37 0.737 11.006 -5.830 1.00 0.62 H new ATOM 0 HG LEU A 37 -0.472 12.375 -4.143 1.00 0.65 H new ATOM 0 HD11 LEU A 37 -2.552 11.509 -3.120 1.00 0.89 H new ATOM 0 HD12 LEU A 37 -2.789 11.884 -4.843 1.00 0.89 H new ATOM 0 HD13 LEU A 37 -2.594 10.195 -4.320 1.00 0.89 H new ATOM 0 HD21 LEU A 37 -0.390 10.637 -2.322 1.00 0.66 H new ATOM 0 HD22 LEU A 37 -0.424 9.358 -3.559 1.00 0.66 H new ATOM 0 HD23 LEU A 37 0.979 10.446 -3.442 1.00 0.66 H new ATOM 495 N TYR A 38 0.589 13.702 -7.069 1.00 0.71 N ATOM 496 CA TYR A 38 0.984 15.103 -7.077 1.00 0.79 C ATOM 497 C TYR A 38 0.040 15.959 -7.919 1.00 0.84 C ATOM 498 O TYR A 38 -0.261 17.090 -7.555 1.00 0.92 O ATOM 499 CB TYR A 38 2.399 15.176 -7.636 1.00 0.88 C ATOM 500 CG TYR A 38 2.942 16.562 -7.915 1.00 1.14 C ATOM 501 CD1 TYR A 38 3.443 17.352 -6.865 1.00 2.06 C ATOM 502 CD2 TYR A 38 2.987 17.042 -9.238 1.00 1.98 C ATOM 503 CE1 TYR A 38 4.021 18.605 -7.132 1.00 2.37 C ATOM 504 CE2 TYR A 38 3.554 18.298 -9.513 1.00 2.36 C ATOM 505 CZ TYR A 38 4.083 19.080 -8.463 1.00 2.07 C ATOM 506 OH TYR A 38 4.659 20.282 -8.747 1.00 2.58 O ATOM 0 H TYR A 38 1.301 13.068 -7.431 1.00 0.71 H new ATOM 0 HA TYR A 38 0.940 15.497 -6.062 1.00 0.79 H new ATOM 0 HB2 TYR A 38 3.070 14.681 -6.934 1.00 0.88 H new ATOM 0 HB3 TYR A 38 2.430 14.604 -8.563 1.00 0.88 H new ATOM 0 HD1 TYR A 38 3.383 16.994 -5.848 1.00 2.06 H new ATOM 0 HD2 TYR A 38 2.585 16.444 -10.043 1.00 1.98 H new ATOM 0 HE1 TYR A 38 4.416 19.203 -6.324 1.00 2.37 H new ATOM 0 HE2 TYR A 38 3.585 18.665 -10.528 1.00 2.36 H new ATOM 0 HH TYR A 38 4.613 20.447 -9.712 1.00 2.58 H new ATOM 516 N LYS A 39 -0.408 15.457 -9.073 1.00 0.82 N ATOM 517 CA LYS A 39 -1.115 16.279 -10.041 1.00 0.91 C ATOM 518 C LYS A 39 -2.507 16.613 -9.522 1.00 0.92 C ATOM 519 O LYS A 39 -3.083 17.629 -9.901 1.00 1.05 O ATOM 520 CB LYS A 39 -1.142 15.553 -11.393 1.00 0.94 C ATOM 521 CG LYS A 39 -1.667 16.473 -12.495 1.00 1.14 C ATOM 522 CD LYS A 39 -1.436 15.861 -13.881 1.00 1.29 C ATOM 523 CE LYS A 39 -1.896 16.850 -14.957 1.00 1.71 C ATOM 524 NZ LYS A 39 -1.628 16.350 -16.323 1.00 2.13 N ATOM 0 H LYS A 39 -0.290 14.484 -9.354 1.00 0.82 H new ATOM 0 HA LYS A 39 -0.599 17.228 -10.187 1.00 0.91 H new ATOM 0 HB2 LYS A 39 -0.139 15.211 -11.647 1.00 0.94 H new ATOM 0 HB3 LYS A 39 -1.773 14.667 -11.322 1.00 0.94 H new ATOM 0 HG2 LYS A 39 -2.732 16.653 -12.346 1.00 1.14 H new ATOM 0 HG3 LYS A 39 -1.169 17.440 -12.434 1.00 1.14 H new ATOM 0 HD2 LYS A 39 -0.380 15.625 -14.015 1.00 1.29 H new ATOM 0 HD3 LYS A 39 -1.986 14.924 -13.973 1.00 1.29 H new ATOM 0 HE2 LYS A 39 -2.964 17.038 -14.843 1.00 1.71 H new ATOM 0 HE3 LYS A 39 -1.387 17.803 -14.814 1.00 1.71 H new ATOM 0 HZ1 LYS A 39 -1.955 17.050 -17.019 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 -0.607 16.195 -16.442 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 -2.134 15.453 -16.470 1.00 2.13 H new ATOM 538 N LYS A 40 -3.061 15.743 -8.676 1.00 0.82 N ATOM 539 CA LYS A 40 -4.397 15.923 -8.119 1.00 0.82 C ATOM 540 C LYS A 40 -4.375 16.332 -6.643 1.00 0.85 C ATOM 541 O LYS A 40 -5.328 16.931 -6.159 1.00 1.00 O ATOM 542 CB LYS A 40 -5.150 14.619 -8.358 1.00 0.73 C ATOM 543 CG LYS A 40 -6.659 14.746 -8.096 1.00 0.82 C ATOM 544 CD LYS A 40 -7.486 14.314 -9.305 1.00 0.88 C ATOM 545 CE LYS A 40 -7.224 15.292 -10.454 1.00 1.16 C ATOM 546 NZ LYS A 40 -8.163 15.078 -11.575 1.00 1.55 N ATOM 0 H LYS A 40 -2.593 14.894 -8.359 1.00 0.82 H new ATOM 0 HA LYS A 40 -4.905 16.751 -8.613 1.00 0.82 H new ATOM 0 HB2 LYS A 40 -4.990 14.296 -9.387 1.00 0.73 H new ATOM 0 HB3 LYS A 40 -4.738 13.843 -7.713 1.00 0.73 H new ATOM 0 HG2 LYS A 40 -6.930 14.136 -7.234 1.00 0.82 H new ATOM 0 HG3 LYS A 40 -6.898 15.779 -7.843 1.00 0.82 H new ATOM 0 HD2 LYS A 40 -7.218 13.300 -9.603 1.00 0.88 H new ATOM 0 HD3 LYS A 40 -8.546 14.303 -9.053 1.00 0.88 H new ATOM 0 HE2 LYS A 40 -7.318 16.315 -10.090 1.00 1.16 H new ATOM 0 HE3 LYS A 40 -6.200 15.172 -10.808 1.00 1.16 H new ATOM 0 HZ1 LYS A 40 -7.957 15.757 -12.335 1.00 1.55 H new ATOM 0 HZ2 LYS A 40 -8.056 14.109 -11.938 1.00 1.55 H new ATOM 0 HZ3 LYS A 40 -9.138 15.217 -11.242 1.00 1.55 H new ATOM 560 N PHE A 41 -3.301 15.989 -5.938 1.00 0.78 N ATOM 561 CA PHE A 41 -3.108 16.202 -4.504 1.00 0.92 C ATOM 562 C PHE A 41 -1.621 16.488 -4.217 1.00 0.75 C ATOM 563 O PHE A 41 -0.928 15.662 -3.611 1.00 0.77 O ATOM 564 CB PHE A 41 -3.512 14.966 -3.664 1.00 1.20 C ATOM 565 CG PHE A 41 -4.805 14.223 -3.932 1.00 0.70 C ATOM 566 CD1 PHE A 41 -4.903 13.478 -5.111 1.00 0.67 C ATOM 567 CD2 PHE A 41 -5.798 14.072 -2.945 1.00 1.41 C ATOM 568 CE1 PHE A 41 -5.991 12.627 -5.345 1.00 0.63 C ATOM 569 CE2 PHE A 41 -6.886 13.206 -3.171 1.00 1.96 C ATOM 570 CZ PHE A 41 -6.988 12.486 -4.372 1.00 1.51 C ATOM 0 H PHE A 41 -2.500 15.531 -6.372 1.00 0.78 H new ATOM 0 HA PHE A 41 -3.742 17.043 -4.225 1.00 0.92 H new ATOM 0 HB2 PHE A 41 -2.703 14.241 -3.756 1.00 1.20 H new ATOM 0 HB3 PHE A 41 -3.538 15.284 -2.622 1.00 1.20 H new ATOM 0 HD1 PHE A 41 -4.125 13.560 -5.856 1.00 0.67 H new ATOM 0 HD2 PHE A 41 -5.726 14.619 -2.017 1.00 1.41 H new ATOM 0 HE1 PHE A 41 -6.061 12.081 -6.274 1.00 0.63 H new ATOM 0 HE2 PHE A 41 -7.648 13.095 -2.414 1.00 1.96 H new ATOM 0 HZ PHE A 41 -7.828 11.829 -4.544 1.00 1.51 H new ATOM 580 N PRO A 42 -1.088 17.665 -4.561 1.00 0.79 N ATOM 581 CA PRO A 42 0.283 17.998 -4.202 1.00 0.83 C ATOM 582 C PRO A 42 0.460 18.084 -2.679 1.00 0.79 C ATOM 583 O PRO A 42 1.581 18.094 -2.185 1.00 0.90 O ATOM 584 CB PRO A 42 0.584 19.316 -4.917 1.00 1.10 C ATOM 585 CG PRO A 42 -0.793 19.960 -5.072 1.00 1.20 C ATOM 586 CD PRO A 42 -1.738 18.768 -5.246 1.00 0.99 C ATOM 0 HA PRO A 42 0.988 17.227 -4.513 1.00 0.83 H new ATOM 0 HB2 PRO A 42 1.258 19.944 -4.334 1.00 1.10 H new ATOM 0 HB3 PRO A 42 1.060 19.149 -5.883 1.00 1.10 H new ATOM 0 HG2 PRO A 42 -1.057 20.555 -4.198 1.00 1.20 H new ATOM 0 HG3 PRO A 42 -0.828 20.627 -5.934 1.00 1.20 H new ATOM 0 HD2 PRO A 42 -2.718 18.976 -4.816 1.00 0.99 H new ATOM 0 HD3 PRO A 42 -1.894 18.540 -6.300 1.00 0.99 H new ATOM 594 N GLU A 43 -0.624 18.102 -1.905 1.00 0.81 N ATOM 595 CA GLU A 43 -0.587 18.193 -0.463 1.00 0.92 C ATOM 596 C GLU A 43 -0.075 16.888 0.151 1.00 0.88 C ATOM 597 O GLU A 43 0.521 16.901 1.223 1.00 1.10 O ATOM 598 CB GLU A 43 -1.993 18.510 0.052 1.00 1.12 C ATOM 599 CG GLU A 43 -2.498 19.912 -0.312 1.00 1.41 C ATOM 600 CD GLU A 43 -2.811 20.084 -1.798 1.00 2.36 C ATOM 601 OE1 GLU A 43 -2.618 21.211 -2.298 1.00 3.16 O ATOM 602 OE2 GLU A 43 -3.226 19.073 -2.413 1.00 3.46 O ATOM 0 H GLU A 43 -1.571 18.052 -2.281 1.00 0.81 H new ATOM 0 HA GLU A 43 0.098 18.989 -0.171 1.00 0.92 H new ATOM 0 HB2 GLU A 43 -2.688 17.771 -0.347 1.00 1.12 H new ATOM 0 HB3 GLU A 43 -2.002 18.404 1.137 1.00 1.12 H new ATOM 0 HG2 GLU A 43 -3.396 20.127 0.267 1.00 1.41 H new ATOM 0 HG3 GLU A 43 -1.747 20.646 -0.020 1.00 1.41 H new ATOM 609 N SER A 44 -0.298 15.750 -0.512 1.00 0.77 N ATOM 610 CA SER A 44 0.227 14.465 -0.053 1.00 0.82 C ATOM 611 C SER A 44 1.693 14.257 -0.445 1.00 0.87 C ATOM 612 O SER A 44 2.266 13.208 -0.152 1.00 1.09 O ATOM 613 CB SER A 44 -0.638 13.313 -0.579 1.00 1.00 C ATOM 614 OG SER A 44 -1.456 13.692 -1.670 1.00 1.83 O ATOM 0 H SER A 44 -0.842 15.695 -1.373 1.00 0.77 H new ATOM 0 HA SER A 44 0.186 14.475 1.036 1.00 0.82 H new ATOM 0 HB2 SER A 44 0.008 12.490 -0.885 1.00 1.00 H new ATOM 0 HB3 SER A 44 -1.268 12.940 0.229 1.00 1.00 H new ATOM 0 HG SER A 44 -2.367 13.863 -1.352 1.00 1.83 H new ATOM 620 N PHE A 45 2.322 15.230 -1.104 1.00 0.96 N ATOM 621 CA PHE A 45 3.700 15.181 -1.550 1.00 1.17 C ATOM 622 C PHE A 45 4.574 15.618 -0.378 1.00 1.13 C ATOM 623 O PHE A 45 5.327 16.582 -0.467 1.00 1.64 O ATOM 624 CB PHE A 45 3.772 16.138 -2.749 1.00 1.91 C ATOM 625 CG PHE A 45 4.860 15.933 -3.773 1.00 2.24 C ATOM 626 CD1 PHE A 45 4.747 14.885 -4.703 1.00 2.44 C ATOM 627 CD2 PHE A 45 5.860 16.908 -3.931 1.00 3.39 C ATOM 628 CE1 PHE A 45 5.618 14.832 -5.804 1.00 3.56 C ATOM 629 CE2 PHE A 45 6.735 16.848 -5.029 1.00 4.20 C ATOM 630 CZ PHE A 45 6.611 15.811 -5.969 1.00 4.23 C ATOM 0 H PHE A 45 1.860 16.106 -1.348 1.00 0.96 H new ATOM 0 HA PHE A 45 4.046 14.195 -1.859 1.00 1.17 H new ATOM 0 HB2 PHE A 45 2.815 16.090 -3.269 1.00 1.91 H new ATOM 0 HB3 PHE A 45 3.872 17.151 -2.358 1.00 1.91 H new ATOM 0 HD1 PHE A 45 3.993 14.123 -4.572 1.00 2.44 H new ATOM 0 HD2 PHE A 45 5.956 17.704 -3.208 1.00 3.39 H new ATOM 0 HE1 PHE A 45 5.523 14.035 -6.527 1.00 3.56 H new ATOM 0 HE2 PHE A 45 7.502 17.598 -5.150 1.00 4.20 H new ATOM 0 HZ PHE A 45 7.278 15.767 -6.817 1.00 4.23 H new ATOM 640 N ASP A 46 4.450 14.901 0.741 1.00 0.96 N ATOM 641 CA ASP A 46 5.153 15.200 1.970 1.00 1.50 C ATOM 642 C ASP A 46 6.610 14.817 1.764 1.00 1.54 C ATOM 643 O ASP A 46 7.514 15.526 2.190 1.00 2.36 O ATOM 644 CB ASP A 46 4.511 14.384 3.103 1.00 1.87 C ATOM 645 CG ASP A 46 4.786 14.958 4.490 1.00 2.68 C ATOM 646 OD1 ASP A 46 5.397 16.045 4.575 1.00 3.57 O ATOM 647 OD2 ASP A 46 4.367 14.306 5.471 1.00 3.19 O ATOM 0 H ASP A 46 3.845 14.083 0.810 1.00 0.96 H new ATOM 0 HA ASP A 46 5.095 16.256 2.234 1.00 1.50 H new ATOM 0 HB2 ASP A 46 3.434 14.338 2.943 1.00 1.87 H new ATOM 0 HB3 ASP A 46 4.883 13.360 3.060 1.00 1.87 H new ATOM 652 N LEU A 47 6.806 13.665 1.099 1.00 0.96 N ATOM 653 CA LEU A 47 8.079 13.020 0.777 1.00 0.96 C ATOM 654 C LEU A 47 9.180 13.343 1.785 1.00 0.89 C ATOM 655 O LEU A 47 10.329 13.620 1.449 1.00 0.97 O ATOM 656 CB LEU A 47 8.453 13.162 -0.709 1.00 1.07 C ATOM 657 CG LEU A 47 8.048 14.481 -1.373 1.00 1.21 C ATOM 658 CD1 LEU A 47 8.948 15.653 -0.991 1.00 1.68 C ATOM 659 CD2 LEU A 47 8.070 14.274 -2.885 1.00 1.58 C ATOM 0 H LEU A 47 6.015 13.124 0.749 1.00 0.96 H new ATOM 0 HA LEU A 47 7.944 11.945 0.900 1.00 0.96 H new ATOM 0 HB2 LEU A 47 9.532 13.044 -0.806 1.00 1.07 H new ATOM 0 HB3 LEU A 47 7.992 12.342 -1.260 1.00 1.07 H new ATOM 0 HG LEU A 47 7.051 14.744 -1.021 1.00 1.21 H new ATOM 0 HD11 LEU A 47 8.604 16.555 -1.497 1.00 1.68 H new ATOM 0 HD12 LEU A 47 8.910 15.805 0.088 1.00 1.68 H new ATOM 0 HD13 LEU A 47 9.973 15.437 -1.291 1.00 1.68 H new ATOM 0 HD21 LEU A 47 7.785 15.201 -3.383 1.00 1.58 H new ATOM 0 HD22 LEU A 47 9.074 13.988 -3.198 1.00 1.58 H new ATOM 0 HD23 LEU A 47 7.367 13.486 -3.155 1.00 1.58 H new ATOM 671 N GLN A 48 8.801 13.204 3.053 1.00 0.86 N ATOM 672 CA GLN A 48 9.722 13.287 4.175 1.00 0.87 C ATOM 673 C GLN A 48 10.521 11.991 4.253 1.00 0.81 C ATOM 674 O GLN A 48 10.031 10.940 3.845 1.00 0.78 O ATOM 675 CB GLN A 48 8.945 13.433 5.493 1.00 1.03 C ATOM 676 CG GLN A 48 8.471 14.866 5.730 1.00 1.80 C ATOM 677 CD GLN A 48 7.721 15.007 7.058 1.00 2.30 C ATOM 678 OE1 GLN A 48 8.068 14.397 8.070 1.00 2.71 O ATOM 679 NE2 GLN A 48 6.682 15.824 7.091 1.00 3.09 N ATOM 0 H GLN A 48 7.835 13.029 3.329 1.00 0.86 H new ATOM 0 HA GLN A 48 10.374 14.148 4.030 1.00 0.87 H new ATOM 0 HB2 GLN A 48 8.084 12.765 5.481 1.00 1.03 H new ATOM 0 HB3 GLN A 48 9.579 13.120 6.323 1.00 1.03 H new ATOM 0 HG2 GLN A 48 9.329 15.538 5.725 1.00 1.80 H new ATOM 0 HG3 GLN A 48 7.820 15.173 4.911 1.00 1.80 H new ATOM 0 HE21 GLN A 48 6.401 16.326 6.249 1.00 3.09 H new ATOM 0 HE22 GLN A 48 6.162 15.953 7.959 1.00 3.09 H new ATOM 688 N PRO A 49 11.711 12.018 4.863 1.00 0.86 N ATOM 689 CA PRO A 49 12.361 10.793 5.271 1.00 0.87 C ATOM 690 C PRO A 49 11.466 10.096 6.296 1.00 0.79 C ATOM 691 O PRO A 49 10.948 10.741 7.208 1.00 0.90 O ATOM 692 CB PRO A 49 13.710 11.221 5.852 1.00 0.98 C ATOM 693 CG PRO A 49 13.444 12.641 6.353 1.00 0.99 C ATOM 694 CD PRO A 49 12.423 13.184 5.353 1.00 0.93 C ATOM 0 HA PRO A 49 12.523 10.084 4.459 1.00 0.87 H new ATOM 0 HB2 PRO A 49 14.027 10.562 6.661 1.00 0.98 H new ATOM 0 HB3 PRO A 49 14.497 11.201 5.098 1.00 0.98 H new ATOM 0 HG2 PRO A 49 13.050 12.641 7.369 1.00 0.99 H new ATOM 0 HG3 PRO A 49 14.354 13.241 6.364 1.00 0.99 H new ATOM 0 HD2 PRO A 49 11.742 13.889 5.830 1.00 0.93 H new ATOM 0 HD3 PRO A 49 12.914 13.716 4.538 1.00 0.93 H new ATOM 702 N ILE A 50 11.274 8.785 6.157 1.00 0.68 N ATOM 703 CA ILE A 50 10.498 7.981 7.083 1.00 0.64 C ATOM 704 C ILE A 50 11.448 6.902 7.607 1.00 0.61 C ATOM 705 O ILE A 50 12.516 6.669 7.037 1.00 0.65 O ATOM 706 CB ILE A 50 9.210 7.467 6.390 1.00 0.65 C ATOM 707 CG1 ILE A 50 8.321 8.675 6.030 1.00 0.80 C ATOM 708 CG2 ILE A 50 8.438 6.475 7.266 1.00 0.64 C ATOM 709 CD1 ILE A 50 7.021 8.304 5.310 1.00 1.10 C ATOM 0 H ILE A 50 11.663 8.248 5.382 1.00 0.68 H new ATOM 0 HA ILE A 50 10.123 8.539 7.941 1.00 0.64 H new ATOM 0 HB ILE A 50 9.497 6.929 5.486 1.00 0.65 H new ATOM 0 HG12 ILE A 50 8.076 9.217 6.944 1.00 0.80 H new ATOM 0 HG13 ILE A 50 8.891 9.357 5.399 1.00 0.80 H new ATOM 0 HG21 ILE A 50 7.544 6.143 6.738 1.00 0.64 H new ATOM 0 HG22 ILE A 50 9.070 5.615 7.486 1.00 0.64 H new ATOM 0 HG23 ILE A 50 8.150 6.961 8.198 1.00 0.64 H new ATOM 0 HD11 ILE A 50 6.454 9.209 5.093 1.00 1.10 H new ATOM 0 HD12 ILE A 50 7.255 7.790 4.378 1.00 1.10 H new ATOM 0 HD13 ILE A 50 6.427 7.648 5.946 1.00 1.10 H new ATOM 721 N GLU A 51 11.084 6.297 8.735 1.00 0.60 N ATOM 722 CA GLU A 51 11.829 5.228 9.380 1.00 0.61 C ATOM 723 C GLU A 51 11.812 3.980 8.487 1.00 0.58 C ATOM 724 O GLU A 51 11.347 4.025 7.349 1.00 0.87 O ATOM 725 CB GLU A 51 11.174 4.985 10.750 1.00 0.65 C ATOM 726 CG GLU A 51 12.155 4.723 11.893 1.00 0.94 C ATOM 727 CD GLU A 51 11.512 5.131 13.225 1.00 1.63 C ATOM 728 OE1 GLU A 51 10.395 4.634 13.507 1.00 2.68 O ATOM 729 OE2 GLU A 51 12.118 5.974 13.921 1.00 2.17 O ATOM 0 H GLU A 51 10.234 6.548 9.239 1.00 0.60 H new ATOM 0 HA GLU A 51 12.877 5.488 9.529 1.00 0.61 H new ATOM 0 HB2 GLU A 51 10.565 5.852 11.005 1.00 0.65 H new ATOM 0 HB3 GLU A 51 10.498 4.134 10.668 1.00 0.65 H new ATOM 0 HG2 GLU A 51 12.428 3.668 11.917 1.00 0.94 H new ATOM 0 HG3 GLU A 51 13.074 5.286 11.733 1.00 0.94 H new ATOM 736 N VAL A 52 12.291 2.840 8.984 1.00 0.51 N ATOM 737 CA VAL A 52 12.390 1.639 8.167 1.00 0.49 C ATOM 738 C VAL A 52 11.559 0.543 8.812 1.00 0.46 C ATOM 739 O VAL A 52 11.994 -0.114 9.751 1.00 0.60 O ATOM 740 CB VAL A 52 13.861 1.260 7.936 1.00 0.62 C ATOM 741 CG1 VAL A 52 14.000 0.032 7.032 1.00 0.90 C ATOM 742 CG2 VAL A 52 14.614 2.416 7.265 1.00 0.91 C ATOM 0 H VAL A 52 12.614 2.727 9.945 1.00 0.51 H new ATOM 0 HA VAL A 52 11.982 1.810 7.171 1.00 0.49 H new ATOM 0 HB VAL A 52 14.281 1.038 8.917 1.00 0.62 H new ATOM 0 HG11 VAL A 52 15.056 -0.201 6.895 1.00 0.90 H new ATOM 0 HG12 VAL A 52 13.498 -0.818 7.493 1.00 0.90 H new ATOM 0 HG13 VAL A 52 13.546 0.240 6.063 1.00 0.90 H new ATOM 0 HG21 VAL A 52 15.654 2.131 7.109 1.00 0.91 H new ATOM 0 HG22 VAL A 52 14.152 2.642 6.304 1.00 0.91 H new ATOM 0 HG23 VAL A 52 14.572 3.298 7.905 1.00 0.91 H new ATOM 752 N GLY A 53 10.330 0.397 8.322 1.00 0.46 N ATOM 753 CA GLY A 53 9.326 -0.531 8.829 1.00 0.60 C ATOM 754 C GLY A 53 8.056 0.232 9.184 1.00 0.69 C ATOM 755 O GLY A 53 6.947 -0.292 9.119 1.00 1.16 O ATOM 0 H GLY A 53 9.995 0.944 7.529 1.00 0.46 H new ATOM 0 HA2 GLY A 53 9.108 -1.291 8.079 1.00 0.60 H new ATOM 0 HA3 GLY A 53 9.708 -1.051 9.708 1.00 0.60 H new ATOM 759 N LYS A 54 8.212 1.501 9.559 1.00 0.38 N ATOM 760 CA LYS A 54 7.152 2.333 10.057 1.00 0.38 C ATOM 761 C LYS A 54 6.388 2.885 8.859 1.00 0.43 C ATOM 762 O LYS A 54 6.995 3.361 7.902 1.00 0.53 O ATOM 763 CB LYS A 54 7.844 3.463 10.827 1.00 0.69 C ATOM 764 CG LYS A 54 6.866 4.376 11.545 1.00 1.59 C ATOM 765 CD LYS A 54 6.439 3.830 12.912 1.00 1.77 C ATOM 766 CE LYS A 54 7.445 4.291 13.974 1.00 2.80 C ATOM 767 NZ LYS A 54 7.108 3.792 15.322 1.00 3.22 N ATOM 0 H LYS A 54 9.112 1.979 9.518 1.00 0.38 H new ATOM 0 HA LYS A 54 6.450 1.802 10.700 1.00 0.38 H new ATOM 0 HB2 LYS A 54 8.531 3.032 11.555 1.00 0.69 H new ATOM 0 HB3 LYS A 54 8.443 4.054 10.134 1.00 0.69 H new ATOM 0 HG2 LYS A 54 7.322 5.357 11.677 1.00 1.59 H new ATOM 0 HG3 LYS A 54 5.982 4.516 10.922 1.00 1.59 H new ATOM 0 HD2 LYS A 54 5.439 4.184 13.163 1.00 1.77 H new ATOM 0 HD3 LYS A 54 6.394 2.741 12.884 1.00 1.77 H new ATOM 0 HE2 LYS A 54 8.442 3.946 13.700 1.00 2.80 H new ATOM 0 HE3 LYS A 54 7.478 5.380 13.991 1.00 2.80 H new ATOM 0 HZ1 LYS A 54 7.816 4.130 16.004 1.00 3.22 H new ATOM 0 HZ2 LYS A 54 6.168 4.142 15.597 1.00 3.22 H new ATOM 0 HZ3 LYS A 54 7.102 2.752 15.316 1.00 3.22 H new ATOM 781 N ALA A 55 5.062 2.891 8.941 1.00 0.41 N ATOM 782 CA ALA A 55 4.238 3.695 8.049 1.00 0.40 C ATOM 783 C ALA A 55 3.861 4.983 8.780 1.00 0.41 C ATOM 784 O ALA A 55 3.617 4.956 9.986 1.00 0.50 O ATOM 785 CB ALA A 55 2.982 2.918 7.644 1.00 0.41 C ATOM 0 H ALA A 55 4.533 2.344 9.621 1.00 0.41 H new ATOM 0 HA ALA A 55 4.789 3.933 7.140 1.00 0.40 H new ATOM 0 HB1 ALA A 55 2.375 3.530 6.977 1.00 0.41 H new ATOM 0 HB2 ALA A 55 3.271 2.001 7.131 1.00 0.41 H new ATOM 0 HB3 ALA A 55 2.405 2.670 8.535 1.00 0.41 H new ATOM 791 N ARG A 56 3.796 6.108 8.066 1.00 0.37 N ATOM 792 CA ARG A 56 3.394 7.394 8.618 1.00 0.38 C ATOM 793 C ARG A 56 2.261 7.936 7.754 1.00 0.34 C ATOM 794 O ARG A 56 2.387 7.965 6.534 1.00 0.36 O ATOM 795 CB ARG A 56 4.599 8.349 8.605 1.00 0.50 C ATOM 796 CG ARG A 56 4.757 9.099 9.929 1.00 0.89 C ATOM 797 CD ARG A 56 5.833 10.174 9.752 1.00 1.45 C ATOM 798 NE ARG A 56 6.179 10.829 11.022 1.00 1.93 N ATOM 799 CZ ARG A 56 6.845 11.988 11.121 1.00 2.69 C ATOM 800 NH1 ARG A 56 7.144 12.480 12.324 1.00 3.10 N ATOM 801 NH2 ARG A 56 7.208 12.645 10.018 1.00 3.74 N ATOM 0 H ARG A 56 4.026 6.147 7.073 1.00 0.37 H new ATOM 0 HA ARG A 56 3.052 7.293 9.648 1.00 0.38 H new ATOM 0 HB2 ARG A 56 5.507 7.782 8.400 1.00 0.50 H new ATOM 0 HB3 ARG A 56 4.482 9.068 7.794 1.00 0.50 H new ATOM 0 HG2 ARG A 56 3.811 9.554 10.222 1.00 0.89 H new ATOM 0 HG3 ARG A 56 5.038 8.409 10.724 1.00 0.89 H new ATOM 0 HD2 ARG A 56 6.727 9.723 9.323 1.00 1.45 H new ATOM 0 HD3 ARG A 56 5.482 10.923 9.043 1.00 1.45 H new ATOM 0 HE ARG A 56 5.893 10.370 11.887 1.00 1.93 H new ATOM 0 HH11 ARG A 56 6.866 11.975 13.165 1.00 3.10 H new ATOM 0 HH12 ARG A 56 7.651 13.362 12.403 1.00 3.10 H new ATOM 0 HH21 ARG A 56 6.979 12.265 9.099 1.00 3.74 H new ATOM 0 HH22 ARG A 56 7.715 13.527 10.093 1.00 3.74 H new ATOM 815 N LEU A 57 1.153 8.367 8.352 1.00 0.36 N ATOM 816 CA LEU A 57 0.130 9.075 7.598 1.00 0.39 C ATOM 817 C LEU A 57 0.634 10.464 7.221 1.00 0.49 C ATOM 818 O LEU A 57 1.471 11.028 7.922 1.00 0.63 O ATOM 819 CB LEU A 57 -1.211 9.132 8.346 1.00 0.49 C ATOM 820 CG LEU A 57 -1.195 9.886 9.688 1.00 0.84 C ATOM 821 CD1 LEU A 57 -2.373 10.862 9.753 1.00 1.63 C ATOM 822 CD2 LEU A 57 -1.313 8.898 10.853 1.00 1.23 C ATOM 0 H LEU A 57 0.945 8.240 9.342 1.00 0.36 H new ATOM 0 HA LEU A 57 -0.065 8.517 6.682 1.00 0.39 H new ATOM 0 HB2 LEU A 57 -1.949 9.601 7.696 1.00 0.49 H new ATOM 0 HB3 LEU A 57 -1.549 8.112 8.528 1.00 0.49 H new ATOM 0 HG LEU A 57 -0.255 10.432 9.764 1.00 0.84 H new ATOM 0 HD11 LEU A 57 -2.355 11.392 10.706 1.00 1.63 H new ATOM 0 HD12 LEU A 57 -2.296 11.580 8.937 1.00 1.63 H new ATOM 0 HD13 LEU A 57 -3.308 10.310 9.663 1.00 1.63 H new ATOM 0 HD21 LEU A 57 -1.300 9.444 11.796 1.00 1.23 H new ATOM 0 HD22 LEU A 57 -2.248 8.344 10.767 1.00 1.23 H new ATOM 0 HD23 LEU A 57 -0.475 8.202 10.826 1.00 1.23 H new ATOM 834 N VAL A 58 0.109 11.017 6.127 1.00 0.52 N ATOM 835 CA VAL A 58 0.439 12.340 5.642 1.00 0.64 C ATOM 836 C VAL A 58 -0.877 13.097 5.495 1.00 0.63 C ATOM 837 O VAL A 58 -1.905 12.535 5.110 1.00 0.64 O ATOM 838 CB VAL A 58 1.250 12.252 4.340 1.00 0.78 C ATOM 839 CG1 VAL A 58 2.567 11.507 4.575 1.00 1.45 C ATOM 840 CG2 VAL A 58 0.500 11.552 3.205 1.00 0.96 C ATOM 0 H VAL A 58 -0.576 10.536 5.544 1.00 0.52 H new ATOM 0 HA VAL A 58 1.081 12.882 6.336 1.00 0.64 H new ATOM 0 HB VAL A 58 1.434 13.283 4.039 1.00 0.78 H new ATOM 0 HG11 VAL A 58 3.127 11.455 3.641 1.00 1.45 H new ATOM 0 HG12 VAL A 58 3.157 12.037 5.323 1.00 1.45 H new ATOM 0 HG13 VAL A 58 2.356 10.498 4.928 1.00 1.45 H new ATOM 0 HG21 VAL A 58 1.130 11.524 2.316 1.00 0.96 H new ATOM 0 HG22 VAL A 58 0.252 10.534 3.506 1.00 0.96 H new ATOM 0 HG23 VAL A 58 -0.417 12.098 2.984 1.00 0.96 H new ATOM 850 N LYS A 59 -0.879 14.369 5.878 1.00 0.88 N ATOM 851 CA LYS A 59 -2.110 15.076 6.183 1.00 0.86 C ATOM 852 C LYS A 59 -2.346 16.104 5.088 1.00 0.83 C ATOM 853 O LYS A 59 -2.045 17.282 5.263 1.00 1.22 O ATOM 854 CB LYS A 59 -1.956 15.690 7.577 1.00 1.31 C ATOM 855 CG LYS A 59 -3.242 16.350 8.089 1.00 2.01 C ATOM 856 CD LYS A 59 -3.081 16.941 9.501 1.00 2.46 C ATOM 857 CE LYS A 59 -1.612 17.181 9.881 1.00 3.36 C ATOM 858 NZ LYS A 59 -1.473 17.850 11.191 1.00 4.24 N ATOM 0 H LYS A 59 -0.035 14.931 5.984 1.00 0.88 H new ATOM 0 HA LYS A 59 -2.984 14.425 6.205 1.00 0.86 H new ATOM 0 HB2 LYS A 59 -1.649 14.913 8.278 1.00 1.31 H new ATOM 0 HB3 LYS A 59 -1.158 16.432 7.554 1.00 1.31 H new ATOM 0 HG2 LYS A 59 -3.540 17.140 7.400 1.00 2.01 H new ATOM 0 HG3 LYS A 59 -4.046 15.614 8.096 1.00 2.01 H new ATOM 0 HD2 LYS A 59 -3.626 17.883 9.560 1.00 2.46 H new ATOM 0 HD3 LYS A 59 -3.534 16.265 10.227 1.00 2.46 H new ATOM 0 HE2 LYS A 59 -1.085 16.227 9.905 1.00 3.36 H new ATOM 0 HE3 LYS A 59 -1.135 17.789 9.113 1.00 3.36 H new ATOM 0 HZ1 LYS A 59 -0.465 17.990 11.404 1.00 4.24 H new ATOM 0 HZ2 LYS A 59 -1.953 18.772 11.162 1.00 4.24 H new ATOM 0 HZ3 LYS A 59 -1.904 17.259 11.930 1.00 4.24 H new ATOM 872 N GLY A 60 -2.858 15.657 3.944 1.00 0.68 N ATOM 873 CA GLY A 60 -3.074 16.533 2.826 1.00 0.82 C ATOM 874 C GLY A 60 -4.393 17.252 3.034 1.00 0.73 C ATOM 875 O GLY A 60 -5.408 16.632 3.341 1.00 0.74 O ATOM 0 H GLY A 60 -3.128 14.687 3.780 1.00 0.68 H new ATOM 0 HA2 GLY A 60 -2.259 17.252 2.743 1.00 0.82 H new ATOM 0 HA3 GLY A 60 -3.094 15.965 1.896 1.00 0.82 H new ATOM 879 N ALA A 61 -4.383 18.564 2.828 1.00 0.79 N ATOM 880 CA ALA A 61 -5.597 19.371 2.860 1.00 0.83 C ATOM 881 C ALA A 61 -6.606 18.864 1.826 1.00 0.75 C ATOM 882 O ALA A 61 -7.809 18.894 2.065 1.00 0.79 O ATOM 883 CB ALA A 61 -5.270 20.852 2.646 1.00 0.99 C ATOM 0 H ALA A 61 -3.535 19.097 2.635 1.00 0.79 H new ATOM 0 HA ALA A 61 -6.053 19.274 3.845 1.00 0.83 H new ATOM 0 HB1 ALA A 61 -6.190 21.435 2.674 1.00 0.99 H new ATOM 0 HB2 ALA A 61 -4.600 21.194 3.434 1.00 0.99 H new ATOM 0 HB3 ALA A 61 -4.787 20.982 1.677 1.00 0.99 H new ATOM 889 N ALA A 62 -6.110 18.370 0.688 1.00 0.70 N ATOM 890 CA ALA A 62 -6.941 17.716 -0.311 1.00 0.70 C ATOM 891 C ALA A 62 -7.549 16.433 0.264 1.00 0.67 C ATOM 892 O ALA A 62 -8.741 16.182 0.092 1.00 0.73 O ATOM 893 CB ALA A 62 -6.105 17.414 -1.564 1.00 0.73 C ATOM 0 H ALA A 62 -5.122 18.415 0.439 1.00 0.70 H new ATOM 0 HA ALA A 62 -7.758 18.381 -0.591 1.00 0.70 H new ATOM 0 HB1 ALA A 62 -6.731 16.924 -2.310 1.00 0.73 H new ATOM 0 HB2 ALA A 62 -5.714 18.345 -1.974 1.00 0.73 H new ATOM 0 HB3 ALA A 62 -5.276 16.758 -1.299 1.00 0.73 H new ATOM 899 N LYS A 63 -6.736 15.585 0.903 1.00 0.63 N ATOM 900 CA LYS A 63 -7.191 14.321 1.467 1.00 0.62 C ATOM 901 C LYS A 63 -6.119 13.786 2.417 1.00 0.57 C ATOM 902 O LYS A 63 -4.928 14.019 2.207 1.00 0.58 O ATOM 903 CB LYS A 63 -7.431 13.337 0.312 1.00 0.79 C ATOM 904 CG LYS A 63 -8.228 12.081 0.681 1.00 1.31 C ATOM 905 CD LYS A 63 -9.723 12.397 0.773 1.00 1.89 C ATOM 906 CE LYS A 63 -10.497 11.119 1.107 1.00 2.72 C ATOM 907 NZ LYS A 63 -11.958 11.352 1.083 1.00 3.10 N ATOM 0 H LYS A 63 -5.741 15.762 1.041 1.00 0.63 H new ATOM 0 HA LYS A 63 -8.117 14.454 2.026 1.00 0.62 H new ATOM 0 HB2 LYS A 63 -7.957 13.860 -0.487 1.00 0.79 H new ATOM 0 HB3 LYS A 63 -6.465 13.030 -0.090 1.00 0.79 H new ATOM 0 HG2 LYS A 63 -8.060 11.305 -0.066 1.00 1.31 H new ATOM 0 HG3 LYS A 63 -7.875 11.687 1.634 1.00 1.31 H new ATOM 0 HD2 LYS A 63 -9.899 13.152 1.539 1.00 1.89 H new ATOM 0 HD3 LYS A 63 -10.076 12.812 -0.171 1.00 1.89 H new ATOM 0 HE2 LYS A 63 -10.240 10.338 0.391 1.00 2.72 H new ATOM 0 HE3 LYS A 63 -10.200 10.759 2.092 1.00 2.72 H new ATOM 0 HZ1 LYS A 63 -12.454 10.468 1.313 1.00 3.10 H new ATOM 0 HZ2 LYS A 63 -12.205 12.080 1.783 1.00 3.10 H new ATOM 0 HZ3 LYS A 63 -12.243 11.672 0.135 1.00 3.10 H new ATOM 921 N HIS A 64 -6.525 13.027 3.435 1.00 0.61 N ATOM 922 CA HIS A 64 -5.589 12.248 4.231 1.00 0.57 C ATOM 923 C HIS A 64 -5.102 11.071 3.387 1.00 0.50 C ATOM 924 O HIS A 64 -5.911 10.375 2.776 1.00 0.55 O ATOM 925 CB HIS A 64 -6.285 11.726 5.493 1.00 0.63 C ATOM 926 CG HIS A 64 -6.820 12.794 6.415 1.00 0.81 C ATOM 927 ND1 HIS A 64 -7.665 12.569 7.480 1.00 1.07 N ATOM 928 CD2 HIS A 64 -6.562 14.140 6.366 1.00 0.86 C ATOM 929 CE1 HIS A 64 -7.909 13.758 8.059 1.00 1.22 C ATOM 930 NE2 HIS A 64 -7.256 14.741 7.420 1.00 1.09 N ATOM 0 H HIS A 64 -7.499 12.938 3.725 1.00 0.61 H new ATOM 0 HA HIS A 64 -4.746 12.871 4.530 1.00 0.57 H new ATOM 0 HB2 HIS A 64 -7.110 11.079 5.194 1.00 0.63 H new ATOM 0 HB3 HIS A 64 -5.580 11.107 6.049 1.00 0.63 H new ATOM 0 HD2 HIS A 64 -5.936 14.644 5.644 1.00 0.86 H new ATOM 0 HE1 HIS A 64 -8.544 13.902 8.921 1.00 1.22 H new ATOM 0 HE2 HIS A 64 -7.264 15.733 7.657 1.00 1.09 H new ATOM 938 N ILE A 65 -3.792 10.833 3.366 1.00 0.45 N ATOM 939 CA ILE A 65 -3.170 9.712 2.674 1.00 0.39 C ATOM 940 C ILE A 65 -2.316 8.989 3.713 1.00 0.36 C ATOM 941 O ILE A 65 -2.022 9.547 4.767 1.00 0.46 O ATOM 942 CB ILE A 65 -2.401 10.227 1.427 1.00 0.40 C ATOM 943 CG1 ILE A 65 -3.304 10.368 0.188 1.00 0.71 C ATOM 944 CG2 ILE A 65 -1.255 9.320 0.968 1.00 0.47 C ATOM 945 CD1 ILE A 65 -4.064 11.684 0.119 1.00 0.74 C ATOM 0 H ILE A 65 -3.118 11.432 3.843 1.00 0.45 H new ATOM 0 HA ILE A 65 -3.886 8.996 2.272 1.00 0.39 H new ATOM 0 HB ILE A 65 -2.017 11.186 1.774 1.00 0.40 H new ATOM 0 HG12 ILE A 65 -2.691 10.267 -0.708 1.00 0.71 H new ATOM 0 HG13 ILE A 65 -4.020 9.546 0.178 1.00 0.71 H new ATOM 0 HG21 ILE A 65 -0.774 9.756 0.093 1.00 0.47 H new ATOM 0 HG22 ILE A 65 -0.525 9.221 1.772 1.00 0.47 H new ATOM 0 HG23 ILE A 65 -1.649 8.336 0.713 1.00 0.47 H new ATOM 0 HD11 ILE A 65 -4.676 11.704 -0.783 1.00 0.74 H new ATOM 0 HD12 ILE A 65 -4.705 11.780 0.995 1.00 0.74 H new ATOM 0 HD13 ILE A 65 -3.356 12.512 0.095 1.00 0.74 H new ATOM 957 N ILE A 66 -1.921 7.747 3.450 1.00 0.33 N ATOM 958 CA ILE A 66 -1.050 6.984 4.325 1.00 0.31 C ATOM 959 C ILE A 66 0.174 6.617 3.498 1.00 0.32 C ATOM 960 O ILE A 66 0.037 6.250 2.332 1.00 0.37 O ATOM 961 CB ILE A 66 -1.758 5.736 4.879 1.00 0.35 C ATOM 962 CG1 ILE A 66 -3.197 5.970 5.384 1.00 0.41 C ATOM 963 CG2 ILE A 66 -0.908 5.090 5.984 1.00 0.39 C ATOM 964 CD1 ILE A 66 -3.303 6.839 6.636 1.00 0.44 C ATOM 0 H ILE A 66 -2.203 7.240 2.611 1.00 0.33 H new ATOM 0 HA ILE A 66 -0.765 7.570 5.199 1.00 0.31 H new ATOM 0 HB ILE A 66 -1.858 5.063 4.028 1.00 0.35 H new ATOM 0 HG12 ILE A 66 -3.776 6.435 4.586 1.00 0.41 H new ATOM 0 HG13 ILE A 66 -3.657 5.003 5.590 1.00 0.41 H new ATOM 0 HG21 ILE A 66 -1.420 4.208 6.368 1.00 0.39 H new ATOM 0 HG22 ILE A 66 0.060 4.799 5.575 1.00 0.39 H new ATOM 0 HG23 ILE A 66 -0.760 5.805 6.794 1.00 0.39 H new ATOM 0 HD11 ILE A 66 -4.351 6.948 6.916 1.00 0.44 H new ATOM 0 HD12 ILE A 66 -2.756 6.368 7.453 1.00 0.44 H new ATOM 0 HD13 ILE A 66 -2.878 7.822 6.434 1.00 0.44 H new ATOM 976 N HIS A 67 1.364 6.714 4.086 1.00 0.31 N ATOM 977 CA HIS A 67 2.617 6.436 3.407 1.00 0.36 C ATOM 978 C HIS A 67 3.280 5.283 4.146 1.00 0.35 C ATOM 979 O HIS A 67 3.375 5.298 5.370 1.00 0.43 O ATOM 980 CB HIS A 67 3.493 7.702 3.390 1.00 0.45 C ATOM 981 CG HIS A 67 3.380 8.531 2.130 1.00 1.01 C ATOM 982 ND1 HIS A 67 4.328 9.420 1.664 1.00 1.73 N ATOM 983 CD2 HIS A 67 2.364 8.501 1.210 1.00 1.65 C ATOM 984 CE1 HIS A 67 3.884 9.909 0.493 1.00 2.31 C ATOM 985 NE2 HIS A 67 2.692 9.379 0.175 1.00 2.32 N ATOM 0 H HIS A 67 1.481 6.992 5.060 1.00 0.31 H new ATOM 0 HA HIS A 67 2.460 6.153 2.366 1.00 0.36 H new ATOM 0 HB2 HIS A 67 3.225 8.325 4.244 1.00 0.45 H new ATOM 0 HB3 HIS A 67 4.534 7.409 3.524 1.00 0.45 H new ATOM 0 HD2 HIS A 67 1.467 7.903 1.274 1.00 1.65 H new ATOM 0 HE1 HIS A 67 4.414 10.631 -0.110 1.00 2.31 H new ATOM 0 HE2 HIS A 67 2.137 9.578 -0.657 1.00 2.32 H new ATOM 993 N ALA A 68 3.715 4.264 3.411 1.00 0.39 N ATOM 994 CA ALA A 68 4.216 3.024 3.977 1.00 0.39 C ATOM 995 C ALA A 68 5.626 2.765 3.469 1.00 0.33 C ATOM 996 O ALA A 68 5.978 3.140 2.350 1.00 0.41 O ATOM 997 CB ALA A 68 3.278 1.879 3.594 1.00 0.51 C ATOM 0 H ALA A 68 3.728 4.281 2.391 1.00 0.39 H new ATOM 0 HA ALA A 68 4.251 3.097 5.064 1.00 0.39 H new ATOM 0 HB1 ALA A 68 3.651 0.946 4.017 1.00 0.51 H new ATOM 0 HB2 ALA A 68 2.280 2.081 3.983 1.00 0.51 H new ATOM 0 HB3 ALA A 68 3.234 1.793 2.508 1.00 0.51 H new ATOM 1003 N VAL A 69 6.447 2.108 4.281 1.00 0.38 N ATOM 1004 CA VAL A 69 7.777 1.735 3.894 1.00 0.45 C ATOM 1005 C VAL A 69 7.697 0.312 3.367 1.00 0.50 C ATOM 1006 O VAL A 69 7.364 -0.610 4.105 1.00 0.66 O ATOM 1007 CB VAL A 69 8.700 1.905 5.105 1.00 0.61 C ATOM 1008 CG1 VAL A 69 10.008 1.158 4.870 1.00 1.33 C ATOM 1009 CG2 VAL A 69 8.973 3.390 5.348 1.00 1.33 C ATOM 0 H VAL A 69 6.195 1.824 5.228 1.00 0.38 H new ATOM 0 HA VAL A 69 8.194 2.360 3.105 1.00 0.45 H new ATOM 0 HB VAL A 69 8.213 1.490 5.987 1.00 0.61 H new ATOM 0 HG11 VAL A 69 10.659 1.283 5.735 1.00 1.33 H new ATOM 0 HG12 VAL A 69 9.800 0.098 4.723 1.00 1.33 H new ATOM 0 HG13 VAL A 69 10.501 1.558 3.984 1.00 1.33 H new ATOM 0 HG21 VAL A 69 9.630 3.503 6.211 1.00 1.33 H new ATOM 0 HG22 VAL A 69 9.452 3.821 4.469 1.00 1.33 H new ATOM 0 HG23 VAL A 69 8.032 3.906 5.538 1.00 1.33 H new ATOM 1019 N GLY A 70 7.992 0.149 2.081 1.00 0.63 N ATOM 1020 CA GLY A 70 8.150 -1.148 1.456 1.00 0.82 C ATOM 1021 C GLY A 70 9.644 -1.437 1.333 1.00 0.93 C ATOM 1022 O GLY A 70 10.403 -0.569 0.906 1.00 1.15 O ATOM 0 H GLY A 70 8.129 0.930 1.439 1.00 0.63 H new ATOM 0 HA2 GLY A 70 7.661 -1.919 2.051 1.00 0.82 H new ATOM 0 HA3 GLY A 70 7.679 -1.157 0.473 1.00 0.82 H new ATOM 1026 N PRO A 71 10.097 -2.637 1.706 1.00 1.26 N ATOM 1027 CA PRO A 71 11.487 -3.023 1.562 1.00 1.50 C ATOM 1028 C PRO A 71 11.762 -3.358 0.098 1.00 1.07 C ATOM 1029 O PRO A 71 10.904 -3.927 -0.574 1.00 1.10 O ATOM 1030 CB PRO A 71 11.623 -4.268 2.433 1.00 2.10 C ATOM 1031 CG PRO A 71 10.245 -4.922 2.308 1.00 2.13 C ATOM 1032 CD PRO A 71 9.303 -3.722 2.254 1.00 1.69 C ATOM 0 HA PRO A 71 12.188 -2.241 1.855 1.00 1.50 H new ATOM 0 HB2 PRO A 71 12.416 -4.925 2.078 1.00 2.10 H new ATOM 0 HB3 PRO A 71 11.858 -4.015 3.467 1.00 2.10 H new ATOM 0 HG2 PRO A 71 10.169 -5.536 1.411 1.00 2.13 H new ATOM 0 HG3 PRO A 71 10.026 -5.570 3.157 1.00 2.13 H new ATOM 0 HD2 PRO A 71 8.436 -3.930 1.627 1.00 1.69 H new ATOM 0 HD3 PRO A 71 8.927 -3.472 3.246 1.00 1.69 H new ATOM 1040 N ASN A 72 12.962 -3.076 -0.412 1.00 1.09 N ATOM 1041 CA ASN A 72 13.290 -3.510 -1.757 1.00 0.91 C ATOM 1042 C ASN A 72 13.882 -4.896 -1.588 1.00 0.77 C ATOM 1043 O ASN A 72 15.063 -4.999 -1.288 1.00 0.77 O ATOM 1044 CB ASN A 72 14.302 -2.569 -2.433 1.00 1.16 C ATOM 1045 CG ASN A 72 13.731 -1.186 -2.725 1.00 1.51 C ATOM 1046 OD1 ASN A 72 13.776 -0.298 -1.884 1.00 2.36 O ATOM 1047 ND2 ASN A 72 13.222 -0.949 -3.928 1.00 2.27 N ATOM 0 H ASN A 72 13.698 -2.564 0.074 1.00 1.09 H new ATOM 0 HA ASN A 72 12.409 -3.507 -2.399 1.00 0.91 H new ATOM 0 HB2 ASN A 72 15.177 -2.466 -1.792 1.00 1.16 H new ATOM 0 HB3 ASN A 72 14.641 -3.020 -3.366 1.00 1.16 H new ATOM 0 HD21 ASN A 72 12.865 -0.021 -4.157 1.00 2.27 H new ATOM 0 HD22 ASN A 72 13.188 -1.694 -4.623 1.00 2.27 H new ATOM 1054 N PHE A 73 13.095 -5.951 -1.797 1.00 0.78 N ATOM 1055 CA PHE A 73 13.567 -7.339 -1.820 1.00 0.79 C ATOM 1056 C PHE A 73 14.777 -7.458 -2.752 1.00 0.75 C ATOM 1057 O PHE A 73 15.706 -8.217 -2.504 1.00 0.84 O ATOM 1058 CB PHE A 73 12.414 -8.224 -2.301 1.00 1.06 C ATOM 1059 CG PHE A 73 12.317 -9.644 -1.785 1.00 1.53 C ATOM 1060 CD1 PHE A 73 11.165 -10.042 -1.079 1.00 2.57 C ATOM 1061 CD2 PHE A 73 13.276 -10.605 -2.155 1.00 2.41 C ATOM 1062 CE1 PHE A 73 10.947 -11.397 -0.785 1.00 3.48 C ATOM 1063 CE2 PHE A 73 13.058 -11.963 -1.858 1.00 3.36 C ATOM 1064 CZ PHE A 73 11.882 -12.360 -1.199 1.00 3.66 C ATOM 0 H PHE A 73 12.092 -5.865 -1.958 1.00 0.78 H new ATOM 0 HA PHE A 73 13.880 -7.658 -0.826 1.00 0.79 H new ATOM 0 HB2 PHE A 73 11.482 -7.717 -2.049 1.00 1.06 H new ATOM 0 HB3 PHE A 73 12.467 -8.272 -3.389 1.00 1.06 H new ATOM 0 HD1 PHE A 73 10.446 -9.301 -0.762 1.00 2.57 H new ATOM 0 HD2 PHE A 73 14.178 -10.301 -2.666 1.00 2.41 H new ATOM 0 HE1 PHE A 73 10.063 -11.698 -0.242 1.00 3.48 H new ATOM 0 HE2 PHE A 73 13.795 -12.701 -2.137 1.00 3.36 H new ATOM 0 HZ PHE A 73 11.697 -13.407 -1.011 1.00 3.66 H new ATOM 1074 N ASN A 74 14.796 -6.653 -3.817 1.00 0.72 N ATOM 1075 CA ASN A 74 15.887 -6.601 -4.776 1.00 0.78 C ATOM 1076 C ASN A 74 17.256 -6.398 -4.113 1.00 0.88 C ATOM 1077 O ASN A 74 18.278 -6.831 -4.636 1.00 1.05 O ATOM 1078 CB ASN A 74 15.588 -5.490 -5.793 1.00 0.80 C ATOM 1079 CG ASN A 74 16.418 -5.622 -7.062 1.00 1.15 C ATOM 1080 OD1 ASN A 74 16.889 -6.694 -7.411 1.00 2.08 O ATOM 1081 ND2 ASN A 74 16.564 -4.539 -7.814 1.00 1.49 N ATOM 0 H ASN A 74 14.036 -6.009 -4.035 1.00 0.72 H new ATOM 0 HA ASN A 74 15.950 -7.565 -5.281 1.00 0.78 H new ATOM 0 HB2 ASN A 74 14.529 -5.514 -6.051 1.00 0.80 H new ATOM 0 HB3 ASN A 74 15.783 -4.520 -5.335 1.00 0.80 H new ATOM 0 HD21 ASN A 74 17.074 -4.595 -8.695 1.00 1.49 H new ATOM 0 HD22 ASN A 74 16.166 -3.650 -7.511 1.00 1.49 H new ATOM 1088 N LYS A 75 17.292 -5.711 -2.968 1.00 0.84 N ATOM 1089 CA LYS A 75 18.496 -5.501 -2.173 1.00 0.94 C ATOM 1090 C LYS A 75 18.219 -5.690 -0.681 1.00 0.84 C ATOM 1091 O LYS A 75 18.863 -5.062 0.156 1.00 0.86 O ATOM 1092 CB LYS A 75 19.035 -4.102 -2.448 1.00 1.12 C ATOM 1093 CG LYS A 75 19.543 -4.008 -3.888 1.00 1.28 C ATOM 1094 CD LYS A 75 20.210 -2.657 -4.093 1.00 1.79 C ATOM 1095 CE LYS A 75 20.861 -2.649 -5.479 1.00 2.04 C ATOM 1096 NZ LYS A 75 21.607 -1.399 -5.741 1.00 3.10 N ATOM 0 H LYS A 75 16.463 -5.277 -2.562 1.00 0.84 H new ATOM 0 HA LYS A 75 19.242 -6.243 -2.458 1.00 0.94 H new ATOM 0 HB2 LYS A 75 18.251 -3.363 -2.282 1.00 1.12 H new ATOM 0 HB3 LYS A 75 19.843 -3.872 -1.753 1.00 1.12 H new ATOM 0 HG2 LYS A 75 20.251 -4.812 -4.090 1.00 1.28 H new ATOM 0 HG3 LYS A 75 18.716 -4.129 -4.587 1.00 1.28 H new ATOM 0 HD2 LYS A 75 19.476 -1.855 -4.013 1.00 1.79 H new ATOM 0 HD3 LYS A 75 20.959 -2.482 -3.321 1.00 1.79 H new ATOM 0 HE2 LYS A 75 21.538 -3.499 -5.565 1.00 2.04 H new ATOM 0 HE3 LYS A 75 20.091 -2.777 -6.240 1.00 2.04 H new ATOM 0 HZ1 LYS A 75 22.030 -1.440 -6.690 1.00 3.10 H new ATOM 0 HZ2 LYS A 75 20.957 -0.589 -5.686 1.00 3.10 H new ATOM 0 HZ3 LYS A 75 22.359 -1.288 -5.031 1.00 3.10 H new ATOM 1110 N VAL A 76 17.294 -6.578 -0.342 1.00 0.78 N ATOM 1111 CA VAL A 76 17.066 -6.980 1.044 1.00 0.78 C ATOM 1112 C VAL A 76 16.767 -8.481 1.076 1.00 0.76 C ATOM 1113 O VAL A 76 16.066 -8.990 0.208 1.00 0.88 O ATOM 1114 CB VAL A 76 15.978 -6.089 1.695 1.00 0.84 C ATOM 1115 CG1 VAL A 76 14.735 -6.863 2.141 1.00 0.69 C ATOM 1116 CG2 VAL A 76 16.575 -5.356 2.898 1.00 1.08 C ATOM 0 H VAL A 76 16.682 -7.040 -1.015 1.00 0.78 H new ATOM 0 HA VAL A 76 17.956 -6.823 1.653 1.00 0.78 H new ATOM 0 HB VAL A 76 15.651 -5.387 0.928 1.00 0.84 H new ATOM 0 HG11 VAL A 76 14.018 -6.174 2.587 1.00 0.69 H new ATOM 0 HG12 VAL A 76 14.281 -7.351 1.278 1.00 0.69 H new ATOM 0 HG13 VAL A 76 15.020 -7.616 2.876 1.00 0.69 H new ATOM 0 HG21 VAL A 76 15.811 -4.729 3.357 1.00 1.08 H new ATOM 0 HG22 VAL A 76 16.933 -6.084 3.626 1.00 1.08 H new ATOM 0 HG23 VAL A 76 17.406 -4.733 2.568 1.00 1.08 H new ATOM 1126 N SER A 77 17.308 -9.209 2.056 1.00 0.73 N ATOM 1127 CA SER A 77 17.159 -10.648 2.126 1.00 0.74 C ATOM 1128 C SER A 77 15.744 -10.992 2.566 1.00 0.71 C ATOM 1129 O SER A 77 15.094 -10.184 3.223 1.00 0.67 O ATOM 1130 CB SER A 77 18.170 -11.190 3.138 1.00 0.80 C ATOM 1131 OG SER A 77 19.443 -10.635 2.875 1.00 1.43 O ATOM 0 H SER A 77 17.858 -8.810 2.817 1.00 0.73 H new ATOM 0 HA SER A 77 17.339 -11.095 1.149 1.00 0.74 H new ATOM 0 HB2 SER A 77 17.855 -10.941 4.152 1.00 0.80 H new ATOM 0 HB3 SER A 77 18.216 -12.277 3.076 1.00 0.80 H new ATOM 0 HG SER A 77 20.091 -10.980 3.524 1.00 1.43 H new ATOM 1137 N GLU A 78 15.301 -12.223 2.309 1.00 0.76 N ATOM 1138 CA GLU A 78 13.982 -12.709 2.704 1.00 0.79 C ATOM 1139 C GLU A 78 13.698 -12.461 4.179 1.00 0.71 C ATOM 1140 O GLU A 78 12.557 -12.228 4.554 1.00 0.68 O ATOM 1141 CB GLU A 78 13.857 -14.210 2.400 1.00 0.93 C ATOM 1142 CG GLU A 78 13.201 -14.390 1.031 1.00 1.15 C ATOM 1143 CD GLU A 78 13.058 -15.849 0.598 1.00 1.93 C ATOM 1144 OE1 GLU A 78 12.472 -16.052 -0.490 1.00 2.61 O ATOM 1145 OE2 GLU A 78 13.547 -16.734 1.334 1.00 2.95 O ATOM 0 H GLU A 78 15.858 -12.919 1.813 1.00 0.76 H new ATOM 0 HA GLU A 78 13.246 -12.152 2.124 1.00 0.79 H new ATOM 0 HB2 GLU A 78 14.841 -14.679 2.410 1.00 0.93 H new ATOM 0 HB3 GLU A 78 13.262 -14.701 3.170 1.00 0.93 H new ATOM 0 HG2 GLU A 78 12.214 -13.928 1.049 1.00 1.15 H new ATOM 0 HG3 GLU A 78 13.789 -13.856 0.285 1.00 1.15 H new ATOM 1152 N VAL A 79 14.722 -12.511 5.029 1.00 0.71 N ATOM 1153 CA VAL A 79 14.507 -12.382 6.462 1.00 0.71 C ATOM 1154 C VAL A 79 14.111 -10.946 6.786 1.00 0.65 C ATOM 1155 O VAL A 79 13.266 -10.702 7.646 1.00 0.68 O ATOM 1156 CB VAL A 79 15.774 -12.819 7.219 1.00 0.79 C ATOM 1157 CG1 VAL A 79 15.582 -12.753 8.738 1.00 0.85 C ATOM 1158 CG2 VAL A 79 16.150 -14.258 6.842 1.00 0.82 C ATOM 0 H VAL A 79 15.695 -12.638 4.752 1.00 0.71 H new ATOM 0 HA VAL A 79 13.694 -13.033 6.783 1.00 0.71 H new ATOM 0 HB VAL A 79 16.568 -12.129 6.933 1.00 0.79 H new ATOM 0 HG11 VAL A 79 16.499 -13.069 9.235 1.00 0.85 H new ATOM 0 HG12 VAL A 79 15.345 -11.730 9.031 1.00 0.85 H new ATOM 0 HG13 VAL A 79 14.765 -13.413 9.030 1.00 0.85 H new ATOM 0 HG21 VAL A 79 17.048 -14.554 7.385 1.00 0.82 H new ATOM 0 HG22 VAL A 79 15.331 -14.928 7.103 1.00 0.82 H new ATOM 0 HG23 VAL A 79 16.339 -14.316 5.770 1.00 0.82 H new ATOM 1168 N GLU A 80 14.732 -9.983 6.108 1.00 0.61 N ATOM 1169 CA GLU A 80 14.480 -8.587 6.406 1.00 0.57 C ATOM 1170 C GLU A 80 13.216 -8.129 5.695 1.00 0.51 C ATOM 1171 O GLU A 80 12.477 -7.310 6.222 1.00 0.49 O ATOM 1172 CB GLU A 80 15.700 -7.753 5.995 1.00 0.64 C ATOM 1173 CG GLU A 80 15.771 -6.428 6.757 1.00 0.76 C ATOM 1174 CD GLU A 80 16.174 -6.677 8.214 1.00 1.52 C ATOM 1175 OE1 GLU A 80 17.394 -6.623 8.483 1.00 2.30 O ATOM 1176 OE2 GLU A 80 15.271 -6.978 9.027 1.00 2.63 O ATOM 0 H GLU A 80 15.404 -10.147 5.359 1.00 0.61 H new ATOM 0 HA GLU A 80 14.323 -8.453 7.476 1.00 0.57 H new ATOM 0 HB2 GLU A 80 16.609 -8.326 6.178 1.00 0.64 H new ATOM 0 HB3 GLU A 80 15.659 -7.554 4.924 1.00 0.64 H new ATOM 0 HG2 GLU A 80 16.493 -5.764 6.281 1.00 0.76 H new ATOM 0 HG3 GLU A 80 14.804 -5.926 6.720 1.00 0.76 H new ATOM 1183 N GLY A 81 12.931 -8.660 4.507 1.00 0.53 N ATOM 1184 CA GLY A 81 11.729 -8.290 3.788 1.00 0.50 C ATOM 1185 C GLY A 81 10.501 -8.959 4.369 1.00 0.48 C ATOM 1186 O GLY A 81 9.422 -8.399 4.248 1.00 0.45 O ATOM 0 H GLY A 81 13.518 -9.344 4.030 1.00 0.53 H new ATOM 0 HA2 GLY A 81 11.604 -7.208 3.821 1.00 0.50 H new ATOM 0 HA3 GLY A 81 11.833 -8.567 2.739 1.00 0.50 H new ATOM 1190 N ASP A 82 10.630 -10.128 4.999 1.00 0.52 N ATOM 1191 CA ASP A 82 9.517 -10.723 5.725 1.00 0.53 C ATOM 1192 C ASP A 82 9.120 -9.782 6.851 1.00 0.48 C ATOM 1193 O ASP A 82 7.966 -9.368 6.953 1.00 0.46 O ATOM 1194 CB ASP A 82 9.919 -12.094 6.278 1.00 0.63 C ATOM 1195 CG ASP A 82 8.879 -12.618 7.267 1.00 0.82 C ATOM 1196 OD1 ASP A 82 7.847 -13.139 6.792 1.00 1.67 O ATOM 1197 OD2 ASP A 82 9.139 -12.489 8.485 1.00 1.60 O ATOM 0 H ASP A 82 11.490 -10.675 5.019 1.00 0.52 H new ATOM 0 HA ASP A 82 8.669 -10.870 5.057 1.00 0.53 H new ATOM 0 HB2 ASP A 82 10.032 -12.801 5.456 1.00 0.63 H new ATOM 0 HB3 ASP A 82 10.888 -12.020 6.771 1.00 0.63 H new ATOM 1202 N LYS A 83 10.101 -9.385 7.664 1.00 0.49 N ATOM 1203 CA LYS A 83 9.827 -8.510 8.788 1.00 0.46 C ATOM 1204 C LYS A 83 9.263 -7.204 8.291 1.00 0.40 C ATOM 1205 O LYS A 83 8.203 -6.806 8.740 1.00 0.42 O ATOM 1206 CB LYS A 83 11.087 -8.261 9.611 1.00 0.54 C ATOM 1207 CG LYS A 83 11.475 -9.519 10.385 1.00 0.82 C ATOM 1208 CD LYS A 83 12.802 -9.256 11.091 1.00 1.32 C ATOM 1209 CE LYS A 83 13.186 -10.482 11.913 1.00 1.91 C ATOM 1210 NZ LYS A 83 14.491 -10.279 12.572 1.00 2.80 N ATOM 0 H LYS A 83 11.079 -9.656 7.561 1.00 0.49 H new ATOM 0 HA LYS A 83 9.096 -8.997 9.433 1.00 0.46 H new ATOM 0 HB2 LYS A 83 11.905 -7.964 8.955 1.00 0.54 H new ATOM 0 HB3 LYS A 83 10.919 -7.437 10.305 1.00 0.54 H new ATOM 0 HG2 LYS A 83 10.702 -9.772 11.111 1.00 0.82 H new ATOM 0 HG3 LYS A 83 11.567 -10.368 9.708 1.00 0.82 H new ATOM 0 HD2 LYS A 83 13.579 -9.036 10.359 1.00 1.32 H new ATOM 0 HD3 LYS A 83 12.717 -8.382 11.737 1.00 1.32 H new ATOM 0 HE2 LYS A 83 12.420 -10.677 12.664 1.00 1.91 H new ATOM 0 HE3 LYS A 83 13.231 -11.359 11.268 1.00 1.91 H new ATOM 0 HZ1 LYS A 83 14.735 -11.124 13.127 1.00 2.80 H new ATOM 0 HZ2 LYS A 83 15.222 -10.115 11.851 1.00 2.80 H new ATOM 0 HZ3 LYS A 83 14.437 -9.454 13.203 1.00 2.80 H new ATOM 1224 N GLN A 84 9.923 -6.559 7.339 1.00 0.40 N ATOM 1225 CA GLN A 84 9.525 -5.250 6.858 1.00 0.38 C ATOM 1226 C GLN A 84 8.150 -5.334 6.208 1.00 0.39 C ATOM 1227 O GLN A 84 7.363 -4.399 6.326 1.00 0.40 O ATOM 1228 CB GLN A 84 10.570 -4.731 5.871 1.00 0.44 C ATOM 1229 CG GLN A 84 11.839 -4.259 6.586 1.00 1.60 C ATOM 1230 CD GLN A 84 11.642 -2.896 7.241 1.00 2.41 C ATOM 1231 OE1 GLN A 84 11.542 -1.884 6.554 1.00 2.26 O ATOM 1232 NE2 GLN A 84 11.592 -2.847 8.564 1.00 3.58 N ATOM 0 H GLN A 84 10.753 -6.933 6.879 1.00 0.40 H new ATOM 0 HA GLN A 84 9.462 -4.553 7.694 1.00 0.38 H new ATOM 0 HB2 GLN A 84 10.824 -5.519 5.162 1.00 0.44 H new ATOM 0 HB3 GLN A 84 10.149 -3.907 5.295 1.00 0.44 H new ATOM 0 HG2 GLN A 84 12.123 -4.989 7.344 1.00 1.60 H new ATOM 0 HG3 GLN A 84 12.661 -4.204 5.872 1.00 1.60 H new ATOM 0 HE21 GLN A 84 11.678 -3.704 9.110 1.00 3.58 H new ATOM 0 HE22 GLN A 84 11.468 -1.952 9.037 1.00 3.58 H new ATOM 1241 N LEU A 85 7.826 -6.443 5.537 1.00 0.39 N ATOM 1242 CA LEU A 85 6.494 -6.587 4.958 1.00 0.40 C ATOM 1243 C LEU A 85 5.457 -6.645 6.076 1.00 0.39 C ATOM 1244 O LEU A 85 4.396 -6.032 5.974 1.00 0.40 O ATOM 1245 CB LEU A 85 6.446 -7.819 4.037 1.00 0.44 C ATOM 1246 CG LEU A 85 5.129 -8.017 3.266 1.00 0.46 C ATOM 1247 CD1 LEU A 85 4.751 -6.754 2.484 1.00 0.78 C ATOM 1248 CD2 LEU A 85 5.293 -9.174 2.278 1.00 0.76 C ATOM 0 H LEU A 85 8.452 -7.234 5.385 1.00 0.39 H new ATOM 0 HA LEU A 85 6.258 -5.722 4.338 1.00 0.40 H new ATOM 0 HB2 LEU A 85 7.261 -7.745 3.317 1.00 0.44 H new ATOM 0 HB3 LEU A 85 6.632 -8.709 4.639 1.00 0.44 H new ATOM 0 HG LEU A 85 4.340 -8.233 3.987 1.00 0.46 H new ATOM 0 HD11 LEU A 85 3.816 -6.923 1.949 1.00 0.78 H new ATOM 0 HD12 LEU A 85 4.627 -5.921 3.176 1.00 0.78 H new ATOM 0 HD13 LEU A 85 5.540 -6.518 1.770 1.00 0.78 H new ATOM 0 HD21 LEU A 85 4.362 -9.318 1.729 1.00 0.76 H new ATOM 0 HD22 LEU A 85 6.095 -8.943 1.577 1.00 0.76 H new ATOM 0 HD23 LEU A 85 5.538 -10.086 2.823 1.00 0.76 H new ATOM 1260 N ALA A 86 5.767 -7.348 7.166 1.00 0.38 N ATOM 1261 CA ALA A 86 4.848 -7.463 8.287 1.00 0.37 C ATOM 1262 C ALA A 86 4.838 -6.200 9.136 1.00 0.33 C ATOM 1263 O ALA A 86 3.851 -5.944 9.804 1.00 0.33 O ATOM 1264 CB ALA A 86 5.241 -8.667 9.142 1.00 0.41 C ATOM 0 H ALA A 86 6.649 -7.845 7.292 1.00 0.38 H new ATOM 0 HA ALA A 86 3.842 -7.601 7.892 1.00 0.37 H new ATOM 0 HB1 ALA A 86 4.554 -8.756 9.983 1.00 0.41 H new ATOM 0 HB2 ALA A 86 5.194 -9.573 8.538 1.00 0.41 H new ATOM 0 HB3 ALA A 86 6.256 -8.532 9.515 1.00 0.41 H new ATOM 1270 N GLU A 87 5.900 -5.404 9.123 1.00 0.33 N ATOM 1271 CA GLU A 87 6.013 -4.150 9.848 1.00 0.31 C ATOM 1272 C GLU A 87 5.171 -3.100 9.142 1.00 0.30 C ATOM 1273 O GLU A 87 4.480 -2.311 9.787 1.00 0.31 O ATOM 1274 CB GLU A 87 7.481 -3.721 9.872 1.00 0.30 C ATOM 1275 CG GLU A 87 8.269 -4.458 10.955 1.00 0.42 C ATOM 1276 CD GLU A 87 9.734 -4.034 10.904 1.00 1.17 C ATOM 1277 OE1 GLU A 87 10.544 -4.793 10.324 1.00 2.60 O ATOM 1278 OE2 GLU A 87 10.027 -2.920 11.390 1.00 1.48 O ATOM 0 H GLU A 87 6.738 -5.626 8.585 1.00 0.33 H new ATOM 0 HA GLU A 87 5.659 -4.267 10.872 1.00 0.31 H new ATOM 0 HB2 GLU A 87 7.932 -3.914 8.899 1.00 0.30 H new ATOM 0 HB3 GLU A 87 7.543 -2.647 10.045 1.00 0.30 H new ATOM 0 HG2 GLU A 87 7.850 -4.237 11.937 1.00 0.42 H new ATOM 0 HG3 GLU A 87 8.187 -5.535 10.809 1.00 0.42 H new ATOM 1285 N ALA A 88 5.184 -3.122 7.809 1.00 0.32 N ATOM 1286 CA ALA A 88 4.336 -2.247 7.025 1.00 0.34 C ATOM 1287 C ALA A 88 2.892 -2.604 7.350 1.00 0.34 C ATOM 1288 O ALA A 88 2.111 -1.759 7.780 1.00 0.36 O ATOM 1289 CB ALA A 88 4.645 -2.417 5.534 1.00 0.36 C ATOM 0 H ALA A 88 5.777 -3.741 7.256 1.00 0.32 H new ATOM 0 HA ALA A 88 4.514 -1.199 7.266 1.00 0.34 H new ATOM 0 HB1 ALA A 88 4.003 -1.756 4.952 1.00 0.36 H new ATOM 0 HB2 ALA A 88 5.689 -2.166 5.348 1.00 0.36 H new ATOM 0 HB3 ALA A 88 4.463 -3.451 5.240 1.00 0.36 H new ATOM 1295 N TYR A 89 2.550 -3.879 7.186 1.00 0.34 N ATOM 1296 CA TYR A 89 1.238 -4.414 7.460 1.00 0.37 C ATOM 1297 C TYR A 89 0.838 -4.284 8.927 1.00 0.35 C ATOM 1298 O TYR A 89 -0.349 -4.167 9.197 1.00 0.38 O ATOM 1299 CB TYR A 89 1.207 -5.856 6.942 1.00 0.39 C ATOM 1300 CG TYR A 89 1.143 -6.014 5.424 1.00 0.44 C ATOM 1301 CD1 TYR A 89 0.605 -5.011 4.584 1.00 1.67 C ATOM 1302 CD2 TYR A 89 1.632 -7.199 4.843 1.00 1.70 C ATOM 1303 CE1 TYR A 89 0.558 -5.191 3.192 1.00 1.69 C ATOM 1304 CE2 TYR A 89 1.572 -7.390 3.452 1.00 1.73 C ATOM 1305 CZ TYR A 89 1.021 -6.393 2.621 1.00 0.57 C ATOM 1306 OH TYR A 89 0.911 -6.594 1.280 1.00 0.65 O ATOM 0 H TYR A 89 3.206 -4.583 6.848 1.00 0.34 H new ATOM 0 HA TYR A 89 0.482 -3.829 6.937 1.00 0.37 H new ATOM 0 HB2 TYR A 89 2.096 -6.372 7.305 1.00 0.39 H new ATOM 0 HB3 TYR A 89 0.345 -6.361 7.378 1.00 0.39 H new ATOM 0 HD1 TYR A 89 0.226 -4.097 5.018 1.00 1.67 H new ATOM 0 HD2 TYR A 89 2.057 -7.968 5.471 1.00 1.70 H new ATOM 0 HE1 TYR A 89 0.167 -4.408 2.559 1.00 1.69 H new ATOM 0 HE2 TYR A 89 1.949 -8.304 3.018 1.00 1.73 H new ATOM 0 HH TYR A 89 0.509 -7.472 1.113 1.00 0.65 H new ATOM 1316 N GLU A 90 1.766 -4.230 9.881 1.00 0.35 N ATOM 1317 CA GLU A 90 1.429 -3.954 11.269 1.00 0.38 C ATOM 1318 C GLU A 90 1.072 -2.495 11.420 1.00 0.32 C ATOM 1319 O GLU A 90 0.115 -2.165 12.110 1.00 0.32 O ATOM 1320 CB GLU A 90 2.587 -4.239 12.233 1.00 0.56 C ATOM 1321 CG GLU A 90 2.539 -5.656 12.800 1.00 1.19 C ATOM 1322 CD GLU A 90 3.152 -5.667 14.202 1.00 1.62 C ATOM 1323 OE1 GLU A 90 4.378 -5.466 14.318 1.00 2.51 O ATOM 1324 OE2 GLU A 90 2.368 -5.749 15.176 1.00 1.99 O ATOM 0 H GLU A 90 2.761 -4.375 9.713 1.00 0.35 H new ATOM 0 HA GLU A 90 0.596 -4.610 11.519 1.00 0.38 H new ATOM 0 HB2 GLU A 90 3.533 -4.091 11.713 1.00 0.56 H new ATOM 0 HB3 GLU A 90 2.558 -3.522 13.053 1.00 0.56 H new ATOM 0 HG2 GLU A 90 1.508 -6.008 12.840 1.00 1.19 H new ATOM 0 HG3 GLU A 90 3.084 -6.338 12.148 1.00 1.19 H new ATOM 1331 N SER A 91 1.845 -1.607 10.807 1.00 0.32 N ATOM 1332 CA SER A 91 1.554 -0.194 10.904 1.00 0.32 C ATOM 1333 C SER A 91 0.179 0.053 10.297 1.00 0.32 C ATOM 1334 O SER A 91 -0.618 0.807 10.842 1.00 0.35 O ATOM 1335 CB SER A 91 2.628 0.638 10.197 1.00 0.38 C ATOM 1336 OG SER A 91 3.924 0.419 10.721 1.00 0.86 O ATOM 0 H SER A 91 2.665 -1.841 10.247 1.00 0.32 H new ATOM 0 HA SER A 91 1.554 0.113 11.950 1.00 0.32 H new ATOM 0 HB2 SER A 91 2.626 0.398 9.134 1.00 0.38 H new ATOM 0 HB3 SER A 91 2.379 1.695 10.286 1.00 0.38 H new ATOM 0 HG SER A 91 4.242 -0.467 10.447 1.00 0.86 H new ATOM 1342 N ILE A 92 -0.125 -0.613 9.184 1.00 0.32 N ATOM 1343 CA ILE A 92 -1.375 -0.409 8.482 1.00 0.35 C ATOM 1344 C ILE A 92 -2.499 -0.993 9.332 1.00 0.34 C ATOM 1345 O ILE A 92 -3.509 -0.341 9.555 1.00 0.36 O ATOM 1346 CB ILE A 92 -1.264 -1.008 7.062 1.00 0.43 C ATOM 1347 CG1 ILE A 92 -0.914 0.081 6.037 1.00 0.54 C ATOM 1348 CG2 ILE A 92 -2.538 -1.677 6.567 1.00 0.53 C ATOM 1349 CD1 ILE A 92 0.567 0.418 6.089 1.00 0.66 C ATOM 0 H ILE A 92 0.489 -1.303 8.752 1.00 0.32 H new ATOM 0 HA ILE A 92 -1.605 0.647 8.339 1.00 0.35 H new ATOM 0 HB ILE A 92 -0.482 -1.762 7.147 1.00 0.43 H new ATOM 0 HG12 ILE A 92 -1.179 -0.258 5.035 1.00 0.54 H new ATOM 0 HG13 ILE A 92 -1.502 0.977 6.237 1.00 0.54 H new ATOM 0 HG21 ILE A 92 -2.376 -2.071 5.564 1.00 0.53 H new ATOM 0 HG22 ILE A 92 -2.805 -2.493 7.238 1.00 0.53 H new ATOM 0 HG23 ILE A 92 -3.347 -0.947 6.544 1.00 0.53 H new ATOM 0 HD11 ILE A 92 0.790 1.191 5.354 1.00 0.66 H new ATOM 0 HD12 ILE A 92 0.823 0.779 7.085 1.00 0.66 H new ATOM 0 HD13 ILE A 92 1.151 -0.475 5.865 1.00 0.66 H new ATOM 1361 N ALA A 93 -2.331 -2.218 9.820 1.00 0.37 N ATOM 1362 CA ALA A 93 -3.399 -2.972 10.459 1.00 0.40 C ATOM 1363 C ALA A 93 -3.761 -2.322 11.788 1.00 0.39 C ATOM 1364 O ALA A 93 -4.934 -2.138 12.112 1.00 0.42 O ATOM 1365 CB ALA A 93 -2.958 -4.424 10.653 1.00 0.48 C ATOM 0 H ALA A 93 -1.442 -2.717 9.782 1.00 0.37 H new ATOM 0 HA ALA A 93 -4.286 -2.967 9.826 1.00 0.40 H new ATOM 0 HB1 ALA A 93 -3.759 -4.987 11.132 1.00 0.48 H new ATOM 0 HB2 ALA A 93 -2.732 -4.868 9.684 1.00 0.48 H new ATOM 0 HB3 ALA A 93 -2.068 -4.453 11.282 1.00 0.48 H new ATOM 1371 N LYS A 94 -2.744 -1.935 12.555 1.00 0.38 N ATOM 1372 CA LYS A 94 -2.962 -1.191 13.777 1.00 0.39 C ATOM 1373 C LYS A 94 -3.666 0.103 13.427 1.00 0.36 C ATOM 1374 O LYS A 94 -4.673 0.392 14.052 1.00 0.40 O ATOM 1375 CB LYS A 94 -1.655 -0.958 14.541 1.00 0.44 C ATOM 1376 CG LYS A 94 -1.126 -2.301 15.058 1.00 1.03 C ATOM 1377 CD LYS A 94 0.175 -2.142 15.846 1.00 1.58 C ATOM 1378 CE LYS A 94 0.810 -3.531 15.948 1.00 2.55 C ATOM 1379 NZ LYS A 94 2.074 -3.547 16.710 1.00 3.50 N ATOM 0 H LYS A 94 -1.765 -2.128 12.346 1.00 0.38 H new ATOM 0 HA LYS A 94 -3.593 -1.768 14.453 1.00 0.39 H new ATOM 0 HB2 LYS A 94 -0.917 -0.490 13.889 1.00 0.44 H new ATOM 0 HB3 LYS A 94 -1.824 -0.275 15.374 1.00 0.44 H new ATOM 0 HG2 LYS A 94 -1.879 -2.767 15.693 1.00 1.03 H new ATOM 0 HG3 LYS A 94 -0.960 -2.973 14.216 1.00 1.03 H new ATOM 0 HD2 LYS A 94 0.847 -1.447 15.344 1.00 1.58 H new ATOM 0 HD3 LYS A 94 -0.022 -1.735 16.838 1.00 1.58 H new ATOM 0 HE2 LYS A 94 0.102 -4.212 16.421 1.00 2.55 H new ATOM 0 HE3 LYS A 94 0.996 -3.911 14.944 1.00 2.55 H new ATOM 0 HZ1 LYS A 94 2.646 -4.365 16.417 1.00 3.50 H new ATOM 0 HZ2 LYS A 94 2.602 -2.671 16.524 1.00 3.50 H new ATOM 0 HZ3 LYS A 94 1.866 -3.617 17.727 1.00 3.50 H new ATOM 1393 N ILE A 95 -3.215 0.843 12.409 1.00 0.33 N ATOM 1394 CA ILE A 95 -3.835 2.124 12.069 1.00 0.33 C ATOM 1395 C ILE A 95 -5.298 1.927 11.683 1.00 0.33 C ATOM 1396 O ILE A 95 -6.135 2.770 11.978 1.00 0.34 O ATOM 1397 CB ILE A 95 -3.024 2.848 10.973 1.00 0.34 C ATOM 1398 CG1 ILE A 95 -1.773 3.472 11.622 1.00 0.58 C ATOM 1399 CG2 ILE A 95 -3.829 3.948 10.261 1.00 0.75 C ATOM 1400 CD1 ILE A 95 -0.749 3.978 10.599 1.00 0.55 C ATOM 0 H ILE A 95 -2.431 0.579 11.812 1.00 0.33 H new ATOM 0 HA ILE A 95 -3.823 2.768 12.948 1.00 0.33 H new ATOM 0 HB ILE A 95 -2.755 2.111 10.216 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -2.078 4.301 12.261 1.00 0.58 H new ATOM 0 HG13 ILE A 95 -1.298 2.732 12.266 1.00 0.58 H new ATOM 0 HG21 ILE A 95 -3.206 4.421 9.502 1.00 0.75 H new ATOM 0 HG22 ILE A 95 -4.707 3.508 9.788 1.00 0.75 H new ATOM 0 HG23 ILE A 95 -4.145 4.696 10.988 1.00 0.75 H new ATOM 0 HD11 ILE A 95 0.107 4.405 11.122 1.00 0.55 H new ATOM 0 HD12 ILE A 95 -0.416 3.148 9.976 1.00 0.55 H new ATOM 0 HD13 ILE A 95 -1.209 4.741 9.971 1.00 0.55 H new ATOM 1412 N VAL A 96 -5.632 0.820 11.033 1.00 0.36 N ATOM 1413 CA VAL A 96 -6.984 0.536 10.590 1.00 0.40 C ATOM 1414 C VAL A 96 -7.884 0.386 11.808 1.00 0.44 C ATOM 1415 O VAL A 96 -9.010 0.879 11.814 1.00 0.47 O ATOM 1416 CB VAL A 96 -6.954 -0.710 9.688 1.00 0.47 C ATOM 1417 CG1 VAL A 96 -8.325 -1.372 9.505 1.00 0.62 C ATOM 1418 CG2 VAL A 96 -6.442 -0.315 8.299 1.00 0.48 C ATOM 0 H VAL A 96 -4.962 0.088 10.798 1.00 0.36 H new ATOM 0 HA VAL A 96 -7.396 1.352 9.996 1.00 0.40 H new ATOM 0 HB VAL A 96 -6.300 -1.427 10.184 1.00 0.47 H new ATOM 0 HG11 VAL A 96 -8.225 -2.243 8.857 1.00 0.62 H new ATOM 0 HG12 VAL A 96 -8.711 -1.684 10.476 1.00 0.62 H new ATOM 0 HG13 VAL A 96 -9.015 -0.660 9.052 1.00 0.62 H new ATOM 0 HG21 VAL A 96 -6.419 -1.195 7.656 1.00 0.48 H new ATOM 0 HG22 VAL A 96 -7.105 0.434 7.866 1.00 0.48 H new ATOM 0 HG23 VAL A 96 -5.437 0.098 8.386 1.00 0.48 H new ATOM 1428 N ASN A 97 -7.393 -0.272 12.854 1.00 0.48 N ATOM 1429 CA ASN A 97 -8.205 -0.480 14.043 1.00 0.59 C ATOM 1430 C ASN A 97 -8.253 0.799 14.865 1.00 0.59 C ATOM 1431 O ASN A 97 -9.298 1.134 15.415 1.00 0.67 O ATOM 1432 CB ASN A 97 -7.651 -1.629 14.897 1.00 0.67 C ATOM 1433 CG ASN A 97 -8.175 -2.986 14.442 1.00 0.69 C ATOM 1434 OD1 ASN A 97 -9.322 -3.109 14.032 1.00 1.24 O ATOM 1435 ND2 ASN A 97 -7.367 -4.035 14.531 1.00 1.10 N ATOM 0 H ASN A 97 -6.452 -0.664 12.901 1.00 0.48 H new ATOM 0 HA ASN A 97 -9.213 -0.747 13.726 1.00 0.59 H new ATOM 0 HB2 ASN A 97 -6.562 -1.626 14.846 1.00 0.67 H new ATOM 0 HB3 ASN A 97 -7.922 -1.468 15.940 1.00 0.67 H new ATOM 0 HD21 ASN A 97 -7.699 -4.959 14.256 1.00 1.10 H new ATOM 0 HD22 ASN A 97 -6.414 -3.917 14.874 1.00 1.10 H new ATOM 1442 N ASP A 98 -7.131 1.516 14.928 1.00 0.53 N ATOM 1443 CA ASP A 98 -6.970 2.735 15.720 1.00 0.57 C ATOM 1444 C ASP A 98 -7.955 3.768 15.202 1.00 0.59 C ATOM 1445 O ASP A 98 -8.618 4.477 15.953 1.00 0.68 O ATOM 1446 CB ASP A 98 -5.533 3.282 15.598 1.00 0.55 C ATOM 1447 CG ASP A 98 -4.848 3.426 16.954 1.00 1.20 C ATOM 1448 OD1 ASP A 98 -5.496 3.975 17.870 1.00 2.12 O ATOM 1449 OD2 ASP A 98 -3.681 2.986 17.052 1.00 2.13 O ATOM 0 H ASP A 98 -6.287 1.258 14.416 1.00 0.53 H new ATOM 0 HA ASP A 98 -7.159 2.515 16.771 1.00 0.57 H new ATOM 0 HB2 ASP A 98 -4.946 2.615 14.966 1.00 0.55 H new ATOM 0 HB3 ASP A 98 -5.557 4.252 15.102 1.00 0.55 H new ATOM 1454 N ASN A 99 -8.055 3.838 13.875 1.00 0.51 N ATOM 1455 CA ASN A 99 -8.918 4.799 13.223 1.00 0.55 C ATOM 1456 C ASN A 99 -10.311 4.239 13.000 1.00 0.60 C ATOM 1457 O ASN A 99 -11.195 4.975 12.563 1.00 0.67 O ATOM 1458 CB ASN A 99 -8.302 5.226 11.898 1.00 0.53 C ATOM 1459 CG ASN A 99 -8.334 6.736 11.745 1.00 0.66 C ATOM 1460 OD1 ASN A 99 -7.331 7.346 11.390 1.00 1.06 O ATOM 1461 ND2 ASN A 99 -9.473 7.364 11.996 1.00 2.04 N ATOM 0 H ASN A 99 -7.542 3.233 13.234 1.00 0.51 H new ATOM 0 HA ASN A 99 -9.014 5.666 13.876 1.00 0.55 H new ATOM 0 HB2 ASN A 99 -7.272 4.873 11.841 1.00 0.53 H new ATOM 0 HB3 ASN A 99 -8.844 4.762 11.074 1.00 0.53 H new ATOM 0 HD21 ASN A 99 -9.530 8.377 11.895 1.00 2.04 H new ATOM 0 HD22 ASN A 99 -10.294 6.834 12.290 1.00 2.04 H new ATOM 1468 N ASN A 100 -10.487 2.950 13.293 1.00 0.62 N ATOM 1469 CA ASN A 100 -11.725 2.213 13.166 1.00 0.70 C ATOM 1470 C ASN A 100 -12.290 2.359 11.762 1.00 0.67 C ATOM 1471 O ASN A 100 -13.430 2.765 11.575 1.00 0.84 O ATOM 1472 CB ASN A 100 -12.703 2.678 14.248 1.00 0.80 C ATOM 1473 CG ASN A 100 -13.787 1.642 14.499 1.00 1.01 C ATOM 1474 OD1 ASN A 100 -14.882 1.718 13.947 1.00 1.83 O ATOM 1475 ND2 ASN A 100 -13.497 0.653 15.333 1.00 1.61 N ATOM 0 H ASN A 100 -9.724 2.370 13.643 1.00 0.62 H new ATOM 0 HA ASN A 100 -11.544 1.149 13.317 1.00 0.70 H new ATOM 0 HB2 ASN A 100 -12.160 2.870 15.173 1.00 0.80 H new ATOM 0 HB3 ASN A 100 -13.161 3.620 13.946 1.00 0.80 H new ATOM 0 HD21 ASN A 100 -14.191 -0.068 15.530 1.00 1.61 H new ATOM 0 HD22 ASN A 100 -12.580 0.614 15.778 1.00 1.61 H new ATOM 1482 N TYR A 101 -11.503 2.042 10.744 1.00 0.56 N ATOM 1483 CA TYR A 101 -12.052 2.031 9.397 1.00 0.56 C ATOM 1484 C TYR A 101 -12.833 0.752 9.107 1.00 0.77 C ATOM 1485 O TYR A 101 -12.496 -0.328 9.581 1.00 1.07 O ATOM 1486 CB TYR A 101 -10.962 2.218 8.362 1.00 0.66 C ATOM 1487 CG TYR A 101 -10.097 3.457 8.540 1.00 0.51 C ATOM 1488 CD1 TYR A 101 -8.700 3.374 8.391 1.00 1.55 C ATOM 1489 CD2 TYR A 101 -10.690 4.705 8.819 1.00 1.77 C ATOM 1490 CE1 TYR A 101 -7.900 4.529 8.475 1.00 1.60 C ATOM 1491 CE2 TYR A 101 -9.905 5.871 8.858 1.00 1.89 C ATOM 1492 CZ TYR A 101 -8.506 5.791 8.672 1.00 0.90 C ATOM 1493 OH TYR A 101 -7.757 6.928 8.669 1.00 1.25 O ATOM 0 H TYR A 101 -10.516 1.797 10.819 1.00 0.56 H new ATOM 0 HA TYR A 101 -12.746 2.869 9.334 1.00 0.56 H new ATOM 0 HB2 TYR A 101 -10.316 1.340 8.377 1.00 0.66 H new ATOM 0 HB3 TYR A 101 -11.424 2.257 7.376 1.00 0.66 H new ATOM 0 HD1 TYR A 101 -8.237 2.415 8.210 1.00 1.55 H new ATOM 0 HD2 TYR A 101 -11.752 4.766 9.004 1.00 1.77 H new ATOM 0 HE1 TYR A 101 -6.826 4.451 8.389 1.00 1.60 H new ATOM 0 HE2 TYR A 101 -10.372 6.830 9.030 1.00 1.89 H new ATOM 0 HH TYR A 101 -7.408 7.092 9.570 1.00 1.25 H new ATOM 1503 N LYS A 102 -13.883 0.893 8.294 1.00 0.80 N ATOM 1504 CA LYS A 102 -14.713 -0.201 7.814 1.00 1.08 C ATOM 1505 C LYS A 102 -14.211 -0.740 6.481 1.00 0.89 C ATOM 1506 O LYS A 102 -14.566 -1.850 6.114 1.00 1.13 O ATOM 1507 CB LYS A 102 -16.166 0.254 7.607 1.00 1.48 C ATOM 1508 CG LYS A 102 -17.040 0.136 8.858 1.00 1.81 C ATOM 1509 CD LYS A 102 -17.094 1.405 9.707 1.00 2.42 C ATOM 1510 CE LYS A 102 -15.802 1.670 10.482 1.00 2.54 C ATOM 1511 NZ LYS A 102 -16.087 2.525 11.655 1.00 3.47 N ATOM 0 H LYS A 102 -14.184 1.803 7.944 1.00 0.80 H new ATOM 0 HA LYS A 102 -14.662 -0.979 8.576 1.00 1.08 H new ATOM 0 HB2 LYS A 102 -16.167 1.291 7.272 1.00 1.48 H new ATOM 0 HB3 LYS A 102 -16.611 -0.339 6.808 1.00 1.48 H new ATOM 0 HG2 LYS A 102 -18.053 -0.129 8.556 1.00 1.81 H new ATOM 0 HG3 LYS A 102 -16.666 -0.683 9.473 1.00 1.81 H new ATOM 0 HD2 LYS A 102 -17.303 2.257 9.061 1.00 2.42 H new ATOM 0 HD3 LYS A 102 -17.923 1.328 10.411 1.00 2.42 H new ATOM 0 HE2 LYS A 102 -15.362 0.727 10.806 1.00 2.54 H new ATOM 0 HE3 LYS A 102 -15.072 2.156 9.835 1.00 2.54 H new ATOM 0 HZ1 LYS A 102 -15.466 3.359 11.636 1.00 3.47 H new ATOM 0 HZ2 LYS A 102 -17.080 2.833 11.627 1.00 3.47 H new ATOM 0 HZ3 LYS A 102 -15.916 1.986 12.528 1.00 3.47 H new ATOM 1525 N SER A 103 -13.452 0.044 5.724 1.00 0.65 N ATOM 1526 CA SER A 103 -13.097 -0.318 4.362 1.00 0.54 C ATOM 1527 C SER A 103 -11.988 0.625 3.935 1.00 0.50 C ATOM 1528 O SER A 103 -12.063 1.804 4.282 1.00 0.63 O ATOM 1529 CB SER A 103 -14.325 -0.124 3.467 1.00 0.76 C ATOM 1530 OG SER A 103 -14.905 1.145 3.717 1.00 1.36 O ATOM 0 H SER A 103 -13.071 0.938 6.035 1.00 0.65 H new ATOM 0 HA SER A 103 -12.770 -1.355 4.288 1.00 0.54 H new ATOM 0 HB2 SER A 103 -14.038 -0.203 2.418 1.00 0.76 H new ATOM 0 HB3 SER A 103 -15.054 -0.911 3.658 1.00 0.76 H new ATOM 0 HG SER A 103 -14.203 1.782 3.965 1.00 1.36 H new ATOM 1536 N VAL A 104 -10.970 0.141 3.224 1.00 0.44 N ATOM 1537 CA VAL A 104 -9.785 0.938 2.946 1.00 0.50 C ATOM 1538 C VAL A 104 -9.269 0.580 1.558 1.00 0.48 C ATOM 1539 O VAL A 104 -9.245 -0.603 1.215 1.00 0.54 O ATOM 1540 CB VAL A 104 -8.728 0.632 4.022 1.00 0.70 C ATOM 1541 CG1 VAL A 104 -7.487 1.502 3.832 1.00 1.42 C ATOM 1542 CG2 VAL A 104 -9.269 0.881 5.435 1.00 1.35 C ATOM 0 H VAL A 104 -10.946 -0.800 2.832 1.00 0.44 H new ATOM 0 HA VAL A 104 -10.014 2.003 2.969 1.00 0.50 H new ATOM 0 HB VAL A 104 -8.471 -0.421 3.911 1.00 0.70 H new ATOM 0 HG11 VAL A 104 -6.756 1.266 4.605 1.00 1.42 H new ATOM 0 HG12 VAL A 104 -7.053 1.308 2.851 1.00 1.42 H new ATOM 0 HG13 VAL A 104 -7.765 2.553 3.904 1.00 1.42 H new ATOM 0 HG21 VAL A 104 -8.494 0.654 6.167 1.00 1.35 H new ATOM 0 HG22 VAL A 104 -9.565 1.925 5.532 1.00 1.35 H new ATOM 0 HG23 VAL A 104 -10.133 0.241 5.612 1.00 1.35 H new ATOM 1552 N ALA A 105 -8.821 1.577 0.782 1.00 0.49 N ATOM 1553 CA ALA A 105 -8.167 1.314 -0.488 1.00 0.54 C ATOM 1554 C ALA A 105 -6.684 1.066 -0.222 1.00 0.52 C ATOM 1555 O ALA A 105 -5.941 1.979 0.142 1.00 0.55 O ATOM 1556 CB ALA A 105 -8.355 2.490 -1.449 1.00 0.66 C ATOM 0 H ALA A 105 -8.903 2.566 1.018 1.00 0.49 H new ATOM 0 HA ALA A 105 -8.611 0.436 -0.957 1.00 0.54 H new ATOM 0 HB1 ALA A 105 -7.857 2.271 -2.394 1.00 0.66 H new ATOM 0 HB2 ALA A 105 -9.419 2.648 -1.628 1.00 0.66 H new ATOM 0 HB3 ALA A 105 -7.923 3.390 -1.011 1.00 0.66 H new ATOM 1562 N ILE A 106 -6.259 -0.180 -0.415 1.00 0.55 N ATOM 1563 CA ILE A 106 -4.904 -0.644 -0.202 1.00 0.58 C ATOM 1564 C ILE A 106 -4.420 -1.247 -1.525 1.00 0.62 C ATOM 1565 O ILE A 106 -4.981 -2.239 -1.989 1.00 0.81 O ATOM 1566 CB ILE A 106 -4.878 -1.629 0.990 1.00 0.77 C ATOM 1567 CG1 ILE A 106 -3.592 -2.459 1.058 1.00 1.73 C ATOM 1568 CG2 ILE A 106 -6.047 -2.628 1.006 1.00 1.33 C ATOM 1569 CD1 ILE A 106 -2.324 -1.655 1.346 1.00 2.96 C ATOM 0 H ILE A 106 -6.882 -0.920 -0.738 1.00 0.55 H new ATOM 0 HA ILE A 106 -4.221 0.161 0.070 1.00 0.58 H new ATOM 0 HB ILE A 106 -4.953 -0.963 1.850 1.00 0.77 H new ATOM 0 HG12 ILE A 106 -3.707 -3.219 1.831 1.00 1.73 H new ATOM 0 HG13 ILE A 106 -3.465 -2.984 0.111 1.00 1.73 H new ATOM 0 HG21 ILE A 106 -5.955 -3.282 1.873 1.00 1.33 H new ATOM 0 HG22 ILE A 106 -6.990 -2.084 1.061 1.00 1.33 H new ATOM 0 HG23 ILE A 106 -6.026 -3.227 0.096 1.00 1.33 H new ATOM 0 HD11 ILE A 106 -1.466 -2.327 1.375 1.00 2.96 H new ATOM 0 HD12 ILE A 106 -2.177 -0.913 0.561 1.00 2.96 H new ATOM 0 HD13 ILE A 106 -2.423 -1.151 2.307 1.00 2.96 H new ATOM 1581 N PRO A 107 -3.406 -0.657 -2.174 1.00 0.59 N ATOM 1582 CA PRO A 107 -2.799 -1.254 -3.350 1.00 0.66 C ATOM 1583 C PRO A 107 -1.915 -2.436 -2.932 1.00 0.71 C ATOM 1584 O PRO A 107 -1.838 -2.802 -1.762 1.00 0.81 O ATOM 1585 CB PRO A 107 -2.006 -0.116 -3.998 1.00 0.72 C ATOM 1586 CG PRO A 107 -1.564 0.709 -2.794 1.00 0.72 C ATOM 1587 CD PRO A 107 -2.772 0.614 -1.862 1.00 0.68 C ATOM 0 HA PRO A 107 -3.522 -1.665 -4.055 1.00 0.66 H new ATOM 0 HB2 PRO A 107 -1.155 -0.488 -4.569 1.00 0.72 H new ATOM 0 HB3 PRO A 107 -2.620 0.466 -4.685 1.00 0.72 H new ATOM 0 HG2 PRO A 107 -0.664 0.303 -2.333 1.00 0.72 H new ATOM 0 HG3 PRO A 107 -1.344 1.741 -3.068 1.00 0.72 H new ATOM 0 HD2 PRO A 107 -2.465 0.653 -0.817 1.00 0.68 H new ATOM 0 HD3 PRO A 107 -3.459 1.445 -2.024 1.00 0.68 H new ATOM 1595 N LEU A 108 -1.221 -3.040 -3.895 1.00 0.80 N ATOM 1596 CA LEU A 108 -0.427 -4.238 -3.693 1.00 0.88 C ATOM 1597 C LEU A 108 1.012 -3.890 -4.029 1.00 0.83 C ATOM 1598 O LEU A 108 1.283 -3.325 -5.088 1.00 0.95 O ATOM 1599 CB LEU A 108 -0.935 -5.334 -4.628 1.00 1.12 C ATOM 1600 CG LEU A 108 -2.216 -6.012 -4.134 1.00 1.35 C ATOM 1601 CD1 LEU A 108 -2.925 -6.633 -5.340 1.00 1.76 C ATOM 1602 CD2 LEU A 108 -1.886 -7.093 -3.101 1.00 1.73 C ATOM 0 H LEU A 108 -1.198 -2.698 -4.856 1.00 0.80 H new ATOM 0 HA LEU A 108 -0.499 -4.594 -2.665 1.00 0.88 H new ATOM 0 HB2 LEU A 108 -1.117 -4.905 -5.613 1.00 1.12 H new ATOM 0 HB3 LEU A 108 -0.157 -6.088 -4.748 1.00 1.12 H new ATOM 0 HG LEU A 108 -2.863 -5.277 -3.655 1.00 1.35 H new ATOM 0 HD11 LEU A 108 -3.842 -7.122 -5.011 1.00 1.76 H new ATOM 0 HD12 LEU A 108 -3.169 -5.852 -6.060 1.00 1.76 H new ATOM 0 HD13 LEU A 108 -2.270 -7.367 -5.809 1.00 1.76 H new ATOM 0 HD21 LEU A 108 -2.808 -7.565 -2.761 1.00 1.73 H new ATOM 0 HD22 LEU A 108 -1.240 -7.845 -3.555 1.00 1.73 H new ATOM 0 HD23 LEU A 108 -1.375 -6.640 -2.251 1.00 1.73 H new ATOM 1614 N LEU A 109 1.927 -4.231 -3.126 1.00 0.89 N ATOM 1615 CA LEU A 109 3.317 -3.814 -3.188 1.00 0.91 C ATOM 1616 C LEU A 109 4.191 -5.046 -3.406 1.00 0.85 C ATOM 1617 O LEU A 109 3.694 -6.170 -3.390 1.00 0.94 O ATOM 1618 CB LEU A 109 3.722 -3.061 -1.905 1.00 1.21 C ATOM 1619 CG LEU A 109 2.660 -2.076 -1.375 1.00 1.00 C ATOM 1620 CD1 LEU A 109 1.793 -2.724 -0.286 1.00 1.59 C ATOM 1621 CD2 LEU A 109 3.337 -0.847 -0.764 1.00 1.17 C ATOM 0 H LEU A 109 1.715 -4.816 -2.317 1.00 0.89 H new ATOM 0 HA LEU A 109 3.455 -3.125 -4.021 1.00 0.91 H new ATOM 0 HB2 LEU A 109 3.943 -3.791 -1.126 1.00 1.21 H new ATOM 0 HB3 LEU A 109 4.644 -2.512 -2.098 1.00 1.21 H new ATOM 0 HG LEU A 109 2.034 -1.791 -2.221 1.00 1.00 H new ATOM 0 HD11 LEU A 109 1.054 -2.004 0.067 1.00 1.59 H new ATOM 0 HD12 LEU A 109 1.283 -3.595 -0.697 1.00 1.59 H new ATOM 0 HD13 LEU A 109 2.425 -3.033 0.546 1.00 1.59 H new ATOM 0 HD21 LEU A 109 2.577 -0.159 -0.394 1.00 1.17 H new ATOM 0 HD22 LEU A 109 3.978 -1.157 0.061 1.00 1.17 H new ATOM 0 HD23 LEU A 109 3.939 -0.348 -1.524 1.00 1.17 H new ATOM 1633 N SER A 110 5.496 -4.835 -3.585 1.00 0.89 N ATOM 1634 CA SER A 110 6.466 -5.901 -3.807 1.00 0.96 C ATOM 1635 C SER A 110 6.165 -6.682 -5.083 1.00 1.07 C ATOM 1636 O SER A 110 6.233 -7.905 -5.111 1.00 1.40 O ATOM 1637 CB SER A 110 6.553 -6.812 -2.582 1.00 1.18 C ATOM 1638 OG SER A 110 6.575 -6.034 -1.401 1.00 1.57 O ATOM 0 H SER A 110 5.912 -3.904 -3.579 1.00 0.89 H new ATOM 0 HA SER A 110 7.445 -5.443 -3.949 1.00 0.96 H new ATOM 0 HB2 SER A 110 5.702 -7.492 -2.563 1.00 1.18 H new ATOM 0 HB3 SER A 110 7.451 -7.427 -2.639 1.00 1.18 H new ATOM 0 HG SER A 110 6.629 -6.625 -0.621 1.00 1.57 H new ATOM 1644 N THR A 111 5.879 -5.965 -6.167 1.00 1.04 N ATOM 1645 CA THR A 111 5.268 -6.541 -7.358 1.00 1.24 C ATOM 1646 C THR A 111 5.986 -6.079 -8.626 1.00 1.49 C ATOM 1647 O THR A 111 5.378 -5.914 -9.678 1.00 2.31 O ATOM 1648 CB THR A 111 3.782 -6.148 -7.328 1.00 1.37 C ATOM 1649 OG1 THR A 111 3.630 -4.894 -6.673 1.00 2.06 O ATOM 1650 CG2 THR A 111 3.017 -7.221 -6.557 1.00 1.27 C ATOM 0 H THR A 111 6.066 -4.965 -6.242 1.00 1.04 H new ATOM 0 HA THR A 111 5.356 -7.627 -7.366 1.00 1.24 H new ATOM 0 HB THR A 111 3.397 -6.065 -8.344 1.00 1.37 H new ATOM 0 HG1 THR A 111 2.682 -4.646 -6.657 1.00 2.06 H new ATOM 0 HG21 THR A 111 1.959 -6.961 -6.524 1.00 1.27 H new ATOM 0 HG22 THR A 111 3.139 -8.183 -7.055 1.00 1.27 H new ATOM 0 HG23 THR A 111 3.406 -7.286 -5.541 1.00 1.27 H new ATOM 1658 N GLY A 112 7.304 -5.893 -8.534 1.00 1.82 N ATOM 1659 CA GLY A 112 8.144 -5.528 -9.663 1.00 2.22 C ATOM 1660 C GLY A 112 9.300 -4.676 -9.164 1.00 1.80 C ATOM 1661 O GLY A 112 10.461 -5.065 -9.220 1.00 2.71 O ATOM 0 H GLY A 112 7.819 -5.994 -7.660 1.00 1.82 H new ATOM 0 HA2 GLY A 112 8.522 -6.424 -10.156 1.00 2.22 H new ATOM 0 HA3 GLY A 112 7.562 -4.978 -10.403 1.00 2.22 H new ATOM 1665 N ILE A 113 8.961 -3.506 -8.631 1.00 1.18 N ATOM 1666 CA ILE A 113 9.914 -2.427 -8.398 1.00 0.97 C ATOM 1667 C ILE A 113 10.582 -2.556 -7.021 1.00 0.84 C ATOM 1668 O ILE A 113 11.715 -2.111 -6.836 1.00 1.22 O ATOM 1669 CB ILE A 113 9.259 -1.060 -8.744 1.00 1.62 C ATOM 1670 CG1 ILE A 113 9.676 0.117 -7.843 1.00 1.69 C ATOM 1671 CG2 ILE A 113 7.717 -1.118 -8.804 1.00 2.61 C ATOM 1672 CD1 ILE A 113 9.614 1.443 -8.605 1.00 2.42 C ATOM 0 H ILE A 113 8.008 -3.279 -8.346 1.00 1.18 H new ATOM 0 HA ILE A 113 10.762 -2.500 -9.079 1.00 0.97 H new ATOM 0 HB ILE A 113 9.656 -0.863 -9.740 1.00 1.62 H new ATOM 0 HG12 ILE A 113 9.021 0.163 -6.973 1.00 1.69 H new ATOM 0 HG13 ILE A 113 10.688 -0.046 -7.472 1.00 1.69 H new ATOM 0 HG21 ILE A 113 7.325 -0.131 -9.050 1.00 2.61 H new ATOM 0 HG22 ILE A 113 7.409 -1.831 -9.568 1.00 2.61 H new ATOM 0 HG23 ILE A 113 7.327 -1.432 -7.836 1.00 2.61 H new ATOM 0 HD11 ILE A 113 9.914 2.257 -7.944 1.00 2.42 H new ATOM 0 HD12 ILE A 113 10.288 1.403 -9.460 1.00 2.42 H new ATOM 0 HD13 ILE A 113 8.596 1.615 -8.954 1.00 2.42 H new ATOM 1684 N PHE A 114 9.934 -3.210 -6.052 1.00 0.67 N ATOM 1685 CA PHE A 114 10.555 -3.458 -4.761 1.00 0.61 C ATOM 1686 C PHE A 114 11.089 -4.889 -4.715 1.00 0.61 C ATOM 1687 O PHE A 114 12.242 -5.105 -4.353 1.00 0.65 O ATOM 1688 CB PHE A 114 9.576 -3.130 -3.631 1.00 0.75 C ATOM 1689 CG PHE A 114 8.973 -1.737 -3.675 1.00 0.77 C ATOM 1690 CD1 PHE A 114 9.695 -0.646 -4.197 1.00 1.89 C ATOM 1691 CD2 PHE A 114 7.671 -1.530 -3.186 1.00 1.72 C ATOM 1692 CE1 PHE A 114 9.113 0.629 -4.258 1.00 1.99 C ATOM 1693 CE2 PHE A 114 7.081 -0.258 -3.263 1.00 1.82 C ATOM 1694 CZ PHE A 114 7.796 0.822 -3.808 1.00 1.16 C ATOM 0 H PHE A 114 8.985 -3.573 -6.143 1.00 0.67 H new ATOM 0 HA PHE A 114 11.412 -2.799 -4.618 1.00 0.61 H new ATOM 0 HB2 PHE A 114 8.766 -3.859 -3.652 1.00 0.75 H new ATOM 0 HB3 PHE A 114 10.092 -3.254 -2.679 1.00 0.75 H new ATOM 0 HD1 PHE A 114 10.704 -0.792 -4.553 1.00 1.89 H new ATOM 0 HD2 PHE A 114 7.123 -2.352 -2.750 1.00 1.72 H new ATOM 0 HE1 PHE A 114 9.677 1.462 -4.651 1.00 1.99 H new ATOM 0 HE2 PHE A 114 6.074 -0.109 -2.902 1.00 1.82 H new ATOM 0 HZ PHE A 114 7.335 1.796 -3.881 1.00 1.16 H new ATOM 1704 N SER A 115 10.263 -5.854 -5.127 1.00 0.68 N ATOM 1705 CA SER A 115 10.613 -7.265 -5.275 1.00 0.86 C ATOM 1706 C SER A 115 11.879 -7.458 -6.122 1.00 0.80 C ATOM 1707 O SER A 115 12.704 -8.322 -5.831 1.00 0.90 O ATOM 1708 CB SER A 115 9.400 -8.021 -5.835 1.00 1.20 C ATOM 1709 OG SER A 115 9.653 -9.379 -6.120 1.00 2.09 O ATOM 0 H SER A 115 9.292 -5.663 -5.376 1.00 0.68 H new ATOM 0 HA SER A 115 10.859 -7.681 -4.298 1.00 0.86 H new ATOM 0 HB2 SER A 115 8.582 -7.957 -5.118 1.00 1.20 H new ATOM 0 HB3 SER A 115 9.065 -7.525 -6.746 1.00 1.20 H new ATOM 0 HG SER A 115 8.811 -9.829 -6.341 1.00 2.09 H new ATOM 1715 N GLY A 116 12.055 -6.676 -7.189 1.00 0.85 N ATOM 1716 CA GLY A 116 13.117 -6.923 -8.144 1.00 0.95 C ATOM 1717 C GLY A 116 12.690 -8.066 -9.050 1.00 1.10 C ATOM 1718 O GLY A 116 12.246 -7.837 -10.171 1.00 1.92 O ATOM 0 H GLY A 116 11.471 -5.868 -7.406 1.00 0.85 H new ATOM 0 HA2 GLY A 116 13.315 -6.027 -8.732 1.00 0.95 H new ATOM 0 HA3 GLY A 116 14.042 -7.175 -7.626 1.00 0.95 H new ATOM 1722 N ASN A 117 12.808 -9.306 -8.571 1.00 1.22 N ATOM 1723 CA ASN A 117 12.362 -10.460 -9.334 1.00 1.50 C ATOM 1724 C ASN A 117 12.112 -11.645 -8.402 1.00 1.55 C ATOM 1725 O ASN A 117 13.079 -12.259 -7.955 1.00 2.21 O ATOM 1726 CB ASN A 117 13.426 -10.817 -10.383 1.00 2.28 C ATOM 1727 CG ASN A 117 12.892 -11.825 -11.391 1.00 2.75 C ATOM 1728 OD1 ASN A 117 12.132 -12.725 -11.055 1.00 3.01 O ATOM 1729 ND2 ASN A 117 13.262 -11.680 -12.656 1.00 3.46 N ATOM 0 H ASN A 117 13.208 -9.530 -7.660 1.00 1.22 H new ATOM 0 HA ASN A 117 11.427 -10.221 -9.840 1.00 1.50 H new ATOM 0 HB2 ASN A 117 13.745 -9.914 -10.903 1.00 2.28 H new ATOM 0 HB3 ASN A 117 14.306 -11.227 -9.887 1.00 2.28 H new ATOM 0 HD21 ASN A 117 12.913 -12.323 -13.366 1.00 3.46 H new ATOM 0 HD22 ASN A 117 13.896 -10.925 -12.919 1.00 3.46 H new ATOM 1736 N LYS A 118 10.832 -11.968 -8.152 1.00 1.71 N ATOM 1737 CA LYS A 118 10.303 -13.211 -7.574 1.00 1.96 C ATOM 1738 C LYS A 118 8.966 -12.988 -6.896 1.00 1.82 C ATOM 1739 O LYS A 118 7.969 -13.520 -7.377 1.00 2.74 O ATOM 1740 CB LYS A 118 11.263 -13.953 -6.631 1.00 2.58 C ATOM 1741 CG LYS A 118 12.010 -15.013 -7.444 1.00 3.06 C ATOM 1742 CD LYS A 118 13.304 -15.439 -6.761 1.00 3.68 C ATOM 1743 CE LYS A 118 13.858 -16.629 -7.547 1.00 4.25 C ATOM 1744 NZ LYS A 118 15.306 -16.810 -7.322 1.00 4.72 N ATOM 0 H LYS A 118 10.081 -11.312 -8.367 1.00 1.71 H new ATOM 0 HA LYS A 118 10.171 -13.868 -8.434 1.00 1.96 H new ATOM 0 HB2 LYS A 118 11.967 -13.254 -6.179 1.00 2.58 H new ATOM 0 HB3 LYS A 118 10.710 -14.420 -5.816 1.00 2.58 H new ATOM 0 HG2 LYS A 118 11.369 -15.883 -7.584 1.00 3.06 H new ATOM 0 HG3 LYS A 118 12.234 -14.620 -8.436 1.00 3.06 H new ATOM 0 HD2 LYS A 118 14.021 -14.618 -6.749 1.00 3.68 H new ATOM 0 HD3 LYS A 118 13.119 -15.716 -5.723 1.00 3.68 H new ATOM 0 HE2 LYS A 118 13.329 -17.536 -7.254 1.00 4.25 H new ATOM 0 HE3 LYS A 118 13.671 -16.480 -8.611 1.00 4.25 H new ATOM 0 HZ1 LYS A 118 15.643 -17.626 -7.872 1.00 4.72 H new ATOM 0 HZ2 LYS A 118 15.814 -15.955 -7.625 1.00 4.72 H new ATOM 0 HZ3 LYS A 118 15.482 -16.977 -6.311 1.00 4.72 H new ATOM 1758 N ASP A 119 8.971 -12.270 -5.772 1.00 1.86 N ATOM 1759 CA ASP A 119 7.795 -12.102 -4.923 1.00 1.69 C ATOM 1760 C ASP A 119 6.688 -11.409 -5.722 1.00 1.21 C ATOM 1761 O ASP A 119 7.002 -10.628 -6.627 1.00 1.57 O ATOM 1762 CB ASP A 119 8.198 -11.316 -3.667 1.00 2.31 C ATOM 1763 CG ASP A 119 7.145 -11.407 -2.568 1.00 2.89 C ATOM 1764 OD1 ASP A 119 6.159 -12.138 -2.791 1.00 3.53 O ATOM 1765 OD2 ASP A 119 7.359 -10.758 -1.520 1.00 3.60 O ATOM 0 H ASP A 119 9.799 -11.786 -5.424 1.00 1.86 H new ATOM 0 HA ASP A 119 7.404 -13.066 -4.599 1.00 1.69 H new ATOM 0 HB2 ASP A 119 9.147 -11.697 -3.291 1.00 2.31 H new ATOM 0 HB3 ASP A 119 8.357 -10.270 -3.930 1.00 2.31 H new ATOM 1770 N ARG A 120 5.414 -11.730 -5.460 1.00 0.98 N ATOM 1771 CA ARG A 120 4.312 -11.383 -6.358 1.00 0.97 C ATOM 1772 C ARG A 120 3.088 -10.905 -5.601 1.00 0.87 C ATOM 1773 O ARG A 120 3.017 -10.956 -4.378 1.00 0.85 O ATOM 1774 CB ARG A 120 3.900 -12.578 -7.226 1.00 1.50 C ATOM 1775 CG ARG A 120 5.085 -13.246 -7.908 1.00 1.81 C ATOM 1776 CD ARG A 120 4.584 -14.067 -9.091 1.00 2.44 C ATOM 1777 NE ARG A 120 5.659 -14.910 -9.625 1.00 2.90 N ATOM 1778 CZ ARG A 120 5.544 -15.699 -10.700 1.00 3.65 C ATOM 1779 NH1 ARG A 120 6.544 -16.509 -11.047 1.00 4.26 N ATOM 1780 NH2 ARG A 120 4.424 -15.679 -11.425 1.00 4.22 N ATOM 0 H ARG A 120 5.122 -12.235 -4.623 1.00 0.98 H new ATOM 0 HA ARG A 120 4.684 -10.575 -6.988 1.00 0.97 H new ATOM 0 HB2 ARG A 120 3.383 -13.310 -6.606 1.00 1.50 H new ATOM 0 HB3 ARG A 120 3.191 -12.244 -7.984 1.00 1.50 H new ATOM 0 HG2 ARG A 120 5.796 -12.493 -8.248 1.00 1.81 H new ATOM 0 HG3 ARG A 120 5.612 -13.887 -7.202 1.00 1.81 H new ATOM 0 HD2 ARG A 120 3.746 -14.691 -8.779 1.00 2.44 H new ATOM 0 HD3 ARG A 120 4.214 -13.402 -9.871 1.00 2.44 H new ATOM 0 HE ARG A 120 6.558 -14.894 -9.143 1.00 2.90 H new ATOM 0 HH11 ARG A 120 7.400 -16.529 -10.493 1.00 4.26 H new ATOM 0 HH12 ARG A 120 6.453 -17.109 -11.867 1.00 4.26 H new ATOM 0 HH21 ARG A 120 3.656 -15.063 -11.160 1.00 4.22 H new ATOM 0 HH22 ARG A 120 4.336 -16.280 -12.244 1.00 4.22 H new ATOM 1794 N LEU A 121 2.057 -10.515 -6.350 1.00 0.85 N ATOM 1795 CA LEU A 121 0.868 -9.952 -5.745 1.00 0.79 C ATOM 1796 C LEU A 121 0.085 -11.008 -5.021 1.00 0.76 C ATOM 1797 O LEU A 121 -0.496 -10.707 -4.001 1.00 0.77 O ATOM 1798 CB LEU A 121 -0.044 -9.240 -6.740 1.00 0.83 C ATOM 1799 CG LEU A 121 -0.571 -10.107 -7.900 1.00 0.95 C ATOM 1800 CD1 LEU A 121 -2.068 -10.392 -7.752 1.00 1.56 C ATOM 1801 CD2 LEU A 121 -0.327 -9.392 -9.229 1.00 1.40 C ATOM 0 H LEU A 121 2.028 -10.581 -7.367 1.00 0.85 H new ATOM 0 HA LEU A 121 1.226 -9.201 -5.040 1.00 0.79 H new ATOM 0 HB2 LEU A 121 -0.897 -8.834 -6.197 1.00 0.83 H new ATOM 0 HB3 LEU A 121 0.498 -8.393 -7.161 1.00 0.83 H new ATOM 0 HG LEU A 121 -0.036 -11.056 -7.878 1.00 0.95 H new ATOM 0 HD11 LEU A 121 -2.406 -11.006 -8.587 1.00 1.56 H new ATOM 0 HD12 LEU A 121 -2.247 -10.922 -6.817 1.00 1.56 H new ATOM 0 HD13 LEU A 121 -2.619 -9.451 -7.747 1.00 1.56 H new ATOM 0 HD21 LEU A 121 -0.701 -10.008 -10.047 1.00 1.40 H new ATOM 0 HD22 LEU A 121 -0.848 -8.435 -9.228 1.00 1.40 H new ATOM 0 HD23 LEU A 121 0.742 -9.223 -9.361 1.00 1.40 H new ATOM 1813 N THR A 122 0.079 -12.235 -5.514 1.00 0.79 N ATOM 1814 CA THR A 122 -0.484 -13.380 -4.845 1.00 0.77 C ATOM 1815 C THR A 122 0.079 -13.512 -3.436 1.00 0.75 C ATOM 1816 O THR A 122 -0.648 -13.883 -2.518 1.00 0.77 O ATOM 1817 CB THR A 122 -0.108 -14.562 -5.740 1.00 0.84 C ATOM 1818 OG1 THR A 122 -0.579 -14.302 -7.047 1.00 0.99 O ATOM 1819 CG2 THR A 122 -0.645 -15.905 -5.249 1.00 0.93 C ATOM 0 H THR A 122 0.482 -12.462 -6.423 1.00 0.79 H new ATOM 0 HA THR A 122 -1.564 -13.311 -4.712 1.00 0.77 H new ATOM 0 HB THR A 122 0.978 -14.652 -5.719 1.00 0.84 H new ATOM 0 HG1 THR A 122 -0.344 -15.051 -7.634 1.00 0.99 H new ATOM 0 HG21 THR A 122 -0.337 -16.693 -5.936 1.00 0.93 H new ATOM 0 HG22 THR A 122 -0.249 -16.114 -4.255 1.00 0.93 H new ATOM 0 HG23 THR A 122 -1.733 -15.867 -5.205 1.00 0.93 H new ATOM 1827 N GLN A 123 1.361 -13.202 -3.250 1.00 0.74 N ATOM 1828 CA GLN A 123 1.970 -13.343 -1.943 1.00 0.72 C ATOM 1829 C GLN A 123 1.598 -12.141 -1.092 1.00 0.66 C ATOM 1830 O GLN A 123 1.110 -12.303 0.025 1.00 0.63 O ATOM 1831 CB GLN A 123 3.484 -13.488 -2.073 1.00 0.79 C ATOM 1832 CG GLN A 123 3.827 -14.864 -2.651 1.00 1.09 C ATOM 1833 CD GLN A 123 5.331 -15.101 -2.757 1.00 1.39 C ATOM 1834 OE1 GLN A 123 5.848 -15.340 -3.843 1.00 2.49 O ATOM 1835 NE2 GLN A 123 6.041 -15.097 -1.635 1.00 1.85 N ATOM 0 H GLN A 123 1.984 -12.857 -3.980 1.00 0.74 H new ATOM 0 HA GLN A 123 1.599 -14.245 -1.457 1.00 0.72 H new ATOM 0 HB2 GLN A 123 3.879 -12.704 -2.719 1.00 0.79 H new ATOM 0 HB3 GLN A 123 3.955 -13.366 -1.098 1.00 0.79 H new ATOM 0 HG2 GLN A 123 3.385 -15.638 -2.023 1.00 1.09 H new ATOM 0 HG3 GLN A 123 3.378 -14.960 -3.639 1.00 1.09 H new ATOM 0 HE21 GLN A 123 5.586 -14.895 -0.745 1.00 1.85 H new ATOM 0 HE22 GLN A 123 7.041 -15.296 -1.664 1.00 1.85 H new ATOM 1844 N SER A 124 1.775 -10.928 -1.615 1.00 0.67 N ATOM 1845 CA SER A 124 1.522 -9.729 -0.836 1.00 0.66 C ATOM 1846 C SER A 124 0.063 -9.668 -0.414 1.00 0.61 C ATOM 1847 O SER A 124 -0.243 -9.221 0.685 1.00 0.61 O ATOM 1848 CB SER A 124 1.932 -8.502 -1.646 1.00 0.74 C ATOM 1849 OG SER A 124 3.285 -8.650 -2.003 1.00 1.25 O ATOM 0 H SER A 124 2.091 -10.756 -2.570 1.00 0.67 H new ATOM 0 HA SER A 124 2.119 -9.750 0.076 1.00 0.66 H new ATOM 0 HB2 SER A 124 1.311 -8.408 -2.537 1.00 0.74 H new ATOM 0 HB3 SER A 124 1.789 -7.594 -1.061 1.00 0.74 H new ATOM 0 HG SER A 124 3.389 -8.493 -2.965 1.00 1.25 H new ATOM 1855 N LEU A 125 -0.818 -10.163 -1.277 1.00 0.60 N ATOM 1856 CA LEU A 125 -2.235 -10.363 -1.068 1.00 0.62 C ATOM 1857 C LEU A 125 -2.442 -11.321 0.074 1.00 0.60 C ATOM 1858 O LEU A 125 -3.228 -11.059 0.970 1.00 0.60 O ATOM 1859 CB LEU A 125 -2.827 -10.902 -2.384 1.00 0.73 C ATOM 1860 CG LEU A 125 -4.271 -11.407 -2.401 1.00 0.96 C ATOM 1861 CD1 LEU A 125 -4.423 -12.834 -1.861 1.00 0.82 C ATOM 1862 CD2 LEU A 125 -5.174 -10.432 -1.664 1.00 2.11 C ATOM 0 H LEU A 125 -0.530 -10.455 -2.211 1.00 0.60 H new ATOM 0 HA LEU A 125 -2.737 -9.432 -0.805 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -2.748 -10.110 -3.128 1.00 0.73 H new ATOM 0 HB3 LEU A 125 -2.189 -11.720 -2.720 1.00 0.73 H new ATOM 0 HG LEU A 125 -4.579 -11.458 -3.445 1.00 0.96 H new ATOM 0 HD11 LEU A 125 -5.472 -13.129 -1.902 1.00 0.82 H new ATOM 0 HD12 LEU A 125 -3.830 -13.518 -2.468 1.00 0.82 H new ATOM 0 HD13 LEU A 125 -4.076 -12.871 -0.829 1.00 0.82 H new ATOM 0 HD21 LEU A 125 -6.199 -10.801 -1.682 1.00 2.11 H new ATOM 0 HD22 LEU A 125 -4.841 -10.337 -0.631 1.00 2.11 H new ATOM 0 HD23 LEU A 125 -5.131 -9.457 -2.150 1.00 2.11 H new ATOM 1874 N ASN A 126 -1.733 -12.435 0.056 1.00 0.61 N ATOM 1875 CA ASN A 126 -1.886 -13.447 1.093 1.00 0.63 C ATOM 1876 C ASN A 126 -1.599 -12.839 2.458 1.00 0.63 C ATOM 1877 O ASN A 126 -2.322 -13.056 3.427 1.00 0.69 O ATOM 1878 CB ASN A 126 -0.956 -14.641 0.838 1.00 0.65 C ATOM 1879 CG ASN A 126 -1.524 -15.937 1.407 1.00 0.94 C ATOM 1880 OD1 ASN A 126 -2.713 -16.050 1.694 1.00 1.09 O ATOM 1881 ND2 ASN A 126 -0.697 -16.963 1.541 1.00 1.94 N ATOM 0 H ASN A 126 -1.046 -12.664 -0.662 1.00 0.61 H new ATOM 0 HA ASN A 126 -2.914 -13.808 1.071 1.00 0.63 H new ATOM 0 HB2 ASN A 126 -0.797 -14.755 -0.234 1.00 0.65 H new ATOM 0 HB3 ASN A 126 0.018 -14.444 1.286 1.00 0.65 H new ATOM 0 HD21 ASN A 126 -1.046 -17.858 1.885 1.00 1.94 H new ATOM 0 HD22 ASN A 126 0.289 -16.859 1.300 1.00 1.94 H new ATOM 1888 N HIS A 127 -0.536 -12.045 2.528 1.00 0.59 N ATOM 1889 CA HIS A 127 -0.106 -11.449 3.783 1.00 0.60 C ATOM 1890 C HIS A 127 -1.024 -10.289 4.140 1.00 0.59 C ATOM 1891 O HIS A 127 -1.263 -10.032 5.316 1.00 0.60 O ATOM 1892 CB HIS A 127 1.347 -10.993 3.659 1.00 0.63 C ATOM 1893 CG HIS A 127 2.311 -12.132 3.457 1.00 0.71 C ATOM 1894 ND1 HIS A 127 2.617 -13.120 4.367 1.00 0.94 N ATOM 1895 CD2 HIS A 127 3.046 -12.365 2.327 1.00 0.67 C ATOM 1896 CE1 HIS A 127 3.517 -13.934 3.785 1.00 1.01 C ATOM 1897 NE2 HIS A 127 3.798 -13.524 2.537 1.00 0.82 N ATOM 0 H HIS A 127 0.044 -11.800 1.726 1.00 0.59 H new ATOM 0 HA HIS A 127 -0.165 -12.185 4.585 1.00 0.60 H new ATOM 0 HB2 HIS A 127 1.433 -10.300 2.822 1.00 0.63 H new ATOM 0 HB3 HIS A 127 1.627 -10.444 4.558 1.00 0.63 H new ATOM 0 HD2 HIS A 127 3.045 -11.761 1.432 1.00 0.67 H new ATOM 0 HE1 HIS A 127 3.955 -14.801 4.258 1.00 1.01 H new ATOM 0 HE2 HIS A 127 4.433 -13.970 1.875 1.00 0.82 H new ATOM 1905 N LEU A 128 -1.580 -9.612 3.137 1.00 0.58 N ATOM 1906 CA LEU A 128 -2.449 -8.469 3.352 1.00 0.61 C ATOM 1907 C LEU A 128 -3.773 -8.945 3.927 1.00 0.63 C ATOM 1908 O LEU A 128 -4.307 -8.340 4.850 1.00 0.65 O ATOM 1909 CB LEU A 128 -2.643 -7.722 2.023 1.00 0.63 C ATOM 1910 CG LEU A 128 -3.559 -6.497 2.128 1.00 0.72 C ATOM 1911 CD1 LEU A 128 -2.914 -5.404 2.984 1.00 1.66 C ATOM 1912 CD2 LEU A 128 -3.849 -5.981 0.716 1.00 1.06 C ATOM 0 H LEU A 128 -1.437 -9.845 2.154 1.00 0.58 H new ATOM 0 HA LEU A 128 -2.000 -7.778 4.066 1.00 0.61 H new ATOM 0 HB2 LEU A 128 -1.669 -7.405 1.650 1.00 0.63 H new ATOM 0 HB3 LEU A 128 -3.057 -8.411 1.287 1.00 0.63 H new ATOM 0 HG LEU A 128 -4.493 -6.781 2.614 1.00 0.72 H new ATOM 0 HD11 LEU A 128 -3.583 -4.546 3.043 1.00 1.66 H new ATOM 0 HD12 LEU A 128 -2.728 -5.789 3.987 1.00 1.66 H new ATOM 0 HD13 LEU A 128 -1.970 -5.098 2.533 1.00 1.66 H new ATOM 0 HD21 LEU A 128 -4.500 -5.109 0.774 1.00 1.06 H new ATOM 0 HD22 LEU A 128 -2.913 -5.704 0.231 1.00 1.06 H new ATOM 0 HD23 LEU A 128 -4.340 -6.763 0.137 1.00 1.06 H new ATOM 1924 N LEU A 129 -4.277 -10.062 3.408 1.00 0.67 N ATOM 1925 CA LEU A 129 -5.421 -10.769 3.942 1.00 0.78 C ATOM 1926 C LEU A 129 -5.101 -11.233 5.335 1.00 0.75 C ATOM 1927 O LEU A 129 -5.975 -11.165 6.172 1.00 0.79 O ATOM 1928 CB LEU A 129 -5.788 -12.014 3.116 1.00 1.01 C ATOM 1929 CG LEU A 129 -6.533 -11.784 1.794 1.00 1.59 C ATOM 1930 CD1 LEU A 129 -7.453 -12.986 1.548 1.00 2.46 C ATOM 1931 CD2 LEU A 129 -7.360 -10.498 1.781 1.00 2.23 C ATOM 0 H LEU A 129 -3.883 -10.507 2.579 1.00 0.67 H new ATOM 0 HA LEU A 129 -6.263 -10.077 3.919 1.00 0.78 H new ATOM 0 HB2 LEU A 129 -4.869 -12.556 2.896 1.00 1.01 H new ATOM 0 HB3 LEU A 129 -6.400 -12.665 3.740 1.00 1.01 H new ATOM 0 HG LEU A 129 -5.787 -11.679 1.006 1.00 1.59 H new ATOM 0 HD11 LEU A 129 -7.994 -12.845 0.612 1.00 2.46 H new ATOM 0 HD12 LEU A 129 -6.855 -13.895 1.488 1.00 2.46 H new ATOM 0 HD13 LEU A 129 -8.165 -13.073 2.369 1.00 2.46 H new ATOM 0 HD21 LEU A 129 -7.860 -10.397 0.818 1.00 2.23 H new ATOM 0 HD22 LEU A 129 -8.106 -10.537 2.575 1.00 2.23 H new ATOM 0 HD23 LEU A 129 -6.704 -9.642 1.941 1.00 2.23 H new ATOM 1943 N THR A 130 -3.891 -11.712 5.610 1.00 0.72 N ATOM 1944 CA THR A 130 -3.603 -12.218 6.944 1.00 0.76 C ATOM 1945 C THR A 130 -3.721 -11.066 7.932 1.00 0.73 C ATOM 1946 O THR A 130 -4.350 -11.193 8.980 1.00 0.77 O ATOM 1947 CB THR A 130 -2.227 -12.895 6.979 1.00 0.80 C ATOM 1948 OG1 THR A 130 -2.237 -14.016 6.122 1.00 0.86 O ATOM 1949 CG2 THR A 130 -1.875 -13.403 8.379 1.00 0.85 C ATOM 0 H THR A 130 -3.117 -11.760 4.948 1.00 0.72 H new ATOM 0 HA THR A 130 -4.323 -12.986 7.227 1.00 0.76 H new ATOM 0 HB THR A 130 -1.494 -12.150 6.669 1.00 0.80 H new ATOM 0 HG1 THR A 130 -2.268 -13.715 5.190 1.00 0.86 H new ATOM 0 HG21 THR A 130 -0.893 -13.875 8.358 1.00 0.85 H new ATOM 0 HG22 THR A 130 -1.861 -12.566 9.077 1.00 0.85 H new ATOM 0 HG23 THR A 130 -2.621 -14.130 8.700 1.00 0.85 H new ATOM 1957 N ALA A 131 -3.153 -9.916 7.578 1.00 0.69 N ATOM 1958 CA ALA A 131 -3.194 -8.768 8.461 1.00 0.72 C ATOM 1959 C ALA A 131 -4.615 -8.239 8.606 1.00 0.74 C ATOM 1960 O ALA A 131 -5.014 -7.823 9.691 1.00 0.78 O ATOM 1961 CB ALA A 131 -2.238 -7.693 7.939 1.00 0.76 C ATOM 0 H ALA A 131 -2.666 -9.761 6.695 1.00 0.69 H new ATOM 0 HA ALA A 131 -2.868 -9.068 9.457 1.00 0.72 H new ATOM 0 HB1 ALA A 131 -2.267 -6.828 8.601 1.00 0.76 H new ATOM 0 HB2 ALA A 131 -1.224 -8.092 7.907 1.00 0.76 H new ATOM 0 HB3 ALA A 131 -2.541 -7.392 6.936 1.00 0.76 H new ATOM 1967 N LEU A 132 -5.385 -8.243 7.520 1.00 0.74 N ATOM 1968 CA LEU A 132 -6.729 -7.679 7.552 1.00 0.78 C ATOM 1969 C LEU A 132 -7.753 -8.709 8.014 1.00 0.79 C ATOM 1970 O LEU A 132 -8.880 -8.331 8.322 1.00 0.81 O ATOM 1971 CB LEU A 132 -7.097 -7.060 6.198 1.00 0.81 C ATOM 1972 CG LEU A 132 -6.344 -5.737 5.974 1.00 1.41 C ATOM 1973 CD1 LEU A 132 -6.485 -5.302 4.518 1.00 1.87 C ATOM 1974 CD2 LEU A 132 -6.899 -4.599 6.841 1.00 2.01 C ATOM 0 H LEU A 132 -5.104 -8.626 6.617 1.00 0.74 H new ATOM 0 HA LEU A 132 -6.741 -6.874 8.287 1.00 0.78 H new ATOM 0 HB2 LEU A 132 -6.857 -7.759 5.397 1.00 0.81 H new ATOM 0 HB3 LEU A 132 -8.172 -6.883 6.155 1.00 0.81 H new ATOM 0 HG LEU A 132 -5.304 -5.921 6.242 1.00 1.41 H new ATOM 0 HD11 LEU A 132 -5.950 -4.365 4.365 1.00 1.87 H new ATOM 0 HD12 LEU A 132 -6.066 -6.069 3.867 1.00 1.87 H new ATOM 0 HD13 LEU A 132 -7.539 -5.161 4.281 1.00 1.87 H new ATOM 0 HD21 LEU A 132 -6.335 -3.686 6.648 1.00 2.01 H new ATOM 0 HD22 LEU A 132 -7.949 -4.435 6.598 1.00 2.01 H new ATOM 0 HD23 LEU A 132 -6.807 -4.866 7.894 1.00 2.01 H new ATOM 1986 N ASP A 133 -7.381 -9.984 8.135 1.00 0.78 N ATOM 1987 CA ASP A 133 -8.287 -11.004 8.671 1.00 0.78 C ATOM 1988 C ASP A 133 -8.590 -10.674 10.129 1.00 0.74 C ATOM 1989 O ASP A 133 -9.706 -10.873 10.614 1.00 0.73 O ATOM 1990 CB ASP A 133 -7.708 -12.426 8.561 1.00 0.88 C ATOM 1991 CG ASP A 133 -8.756 -13.396 8.021 1.00 1.15 C ATOM 1992 OD1 ASP A 133 -9.303 -13.102 6.932 1.00 1.85 O ATOM 1993 OD2 ASP A 133 -9.019 -14.406 8.707 1.00 2.15 O ATOM 0 H ASP A 133 -6.461 -10.336 7.870 1.00 0.78 H new ATOM 0 HA ASP A 133 -9.200 -10.991 8.076 1.00 0.78 H new ATOM 0 HB2 ASP A 133 -6.838 -12.420 7.904 1.00 0.88 H new ATOM 0 HB3 ASP A 133 -7.365 -12.761 9.540 1.00 0.88 H new ATOM 1998 N THR A 134 -7.582 -10.091 10.790 1.00 0.79 N ATOM 1999 CA THR A 134 -7.611 -9.536 12.135 1.00 0.80 C ATOM 2000 C THR A 134 -8.612 -8.376 12.286 1.00 0.74 C ATOM 2001 O THR A 134 -8.757 -7.843 13.385 1.00 0.82 O ATOM 2002 CB THR A 134 -6.159 -9.206 12.551 1.00 0.94 C ATOM 2003 OG1 THR A 134 -5.849 -9.884 13.750 1.00 1.28 O ATOM 2004 CG2 THR A 134 -5.853 -7.728 12.764 1.00 1.29 C ATOM 0 H THR A 134 -6.662 -9.991 10.362 1.00 0.79 H new ATOM 0 HA THR A 134 -8.000 -10.274 12.837 1.00 0.80 H new ATOM 0 HB THR A 134 -5.550 -9.530 11.707 1.00 0.94 H new ATOM 0 HG1 THR A 134 -4.928 -9.677 14.014 1.00 1.28 H new ATOM 0 HG21 THR A 134 -4.808 -7.611 13.053 1.00 1.29 H new ATOM 0 HG22 THR A 134 -6.038 -7.181 11.839 1.00 1.29 H new ATOM 0 HG23 THR A 134 -6.494 -7.334 13.553 1.00 1.29 H new ATOM 2012 N THR A 135 -9.346 -8.002 11.233 1.00 0.72 N ATOM 2013 CA THR A 135 -10.451 -7.068 11.317 1.00 0.76 C ATOM 2014 C THR A 135 -11.660 -7.683 10.620 1.00 0.85 C ATOM 2015 O THR A 135 -11.535 -8.570 9.779 1.00 1.67 O ATOM 2016 CB THR A 135 -10.076 -5.725 10.676 1.00 0.92 C ATOM 2017 OG1 THR A 135 -9.993 -5.820 9.268 1.00 1.14 O ATOM 2018 CG2 THR A 135 -8.757 -5.168 11.211 1.00 1.15 C ATOM 0 H THR A 135 -9.179 -8.350 10.289 1.00 0.72 H new ATOM 0 HA THR A 135 -10.691 -6.875 12.363 1.00 0.76 H new ATOM 0 HB THR A 135 -10.879 -5.040 10.947 1.00 0.92 H new ATOM 0 HG1 THR A 135 -9.609 -6.687 9.021 1.00 1.14 H new ATOM 0 HG21 THR A 135 -8.539 -4.217 10.724 1.00 1.15 H new ATOM 0 HG22 THR A 135 -8.837 -5.015 12.287 1.00 1.15 H new ATOM 0 HG23 THR A 135 -7.953 -5.874 11.004 1.00 1.15 H new ATOM 2026 N ASP A 136 -12.849 -7.193 10.933 1.00 0.90 N ATOM 2027 CA ASP A 136 -14.103 -7.462 10.247 1.00 0.91 C ATOM 2028 C ASP A 136 -14.561 -6.169 9.574 1.00 1.02 C ATOM 2029 O ASP A 136 -15.717 -5.770 9.668 1.00 1.31 O ATOM 2030 CB ASP A 136 -15.128 -8.034 11.241 1.00 1.15 C ATOM 2031 CG ASP A 136 -15.494 -7.082 12.388 1.00 1.95 C ATOM 2032 OD1 ASP A 136 -14.622 -6.264 12.768 1.00 2.67 O ATOM 2033 OD2 ASP A 136 -16.612 -7.244 12.925 1.00 2.85 O ATOM 0 H ASP A 136 -12.972 -6.558 11.721 1.00 0.90 H new ATOM 0 HA ASP A 136 -13.984 -8.218 9.471 1.00 0.91 H new ATOM 0 HB2 ASP A 136 -16.036 -8.296 10.698 1.00 1.15 H new ATOM 0 HB3 ASP A 136 -14.731 -8.957 11.663 1.00 1.15 H new ATOM 2038 N ALA A 137 -13.622 -5.526 8.871 1.00 1.01 N ATOM 2039 CA ALA A 137 -13.839 -4.302 8.125 1.00 1.28 C ATOM 2040 C ALA A 137 -14.224 -4.679 6.689 1.00 1.12 C ATOM 2041 O ALA A 137 -15.299 -5.229 6.472 1.00 1.25 O ATOM 2042 CB ALA A 137 -12.554 -3.466 8.237 1.00 1.58 C ATOM 0 H ALA A 137 -12.661 -5.863 8.810 1.00 1.01 H new ATOM 0 HA ALA A 137 -14.656 -3.694 8.513 1.00 1.28 H new ATOM 0 HB1 ALA A 137 -12.678 -2.533 7.687 1.00 1.58 H new ATOM 0 HB2 ALA A 137 -12.354 -3.245 9.285 1.00 1.58 H new ATOM 0 HB3 ALA A 137 -11.718 -4.026 7.818 1.00 1.58 H new ATOM 2048 N ASP A 138 -13.334 -4.432 5.727 1.00 1.04 N ATOM 2049 CA ASP A 138 -13.361 -4.905 4.348 1.00 0.94 C ATOM 2050 C ASP A 138 -12.033 -4.483 3.716 1.00 0.94 C ATOM 2051 O ASP A 138 -11.312 -3.667 4.296 1.00 1.09 O ATOM 2052 CB ASP A 138 -14.551 -4.373 3.542 1.00 1.00 C ATOM 2053 CG ASP A 138 -14.792 -5.329 2.374 1.00 1.34 C ATOM 2054 OD1 ASP A 138 -14.317 -5.003 1.265 1.00 1.87 O ATOM 2055 OD2 ASP A 138 -15.363 -6.415 2.627 1.00 2.55 O ATOM 0 H ASP A 138 -12.515 -3.852 5.908 1.00 1.04 H new ATOM 0 HA ASP A 138 -13.487 -5.988 4.340 1.00 0.94 H new ATOM 0 HB2 ASP A 138 -15.439 -4.307 4.171 1.00 1.00 H new ATOM 0 HB3 ASP A 138 -14.345 -3.367 3.176 1.00 1.00 H new ATOM 2060 N VAL A 139 -11.680 -5.023 2.552 1.00 0.83 N ATOM 2061 CA VAL A 139 -10.428 -4.688 1.892 1.00 0.83 C ATOM 2062 C VAL A 139 -10.715 -4.376 0.430 1.00 0.74 C ATOM 2063 O VAL A 139 -11.287 -5.205 -0.275 1.00 0.77 O ATOM 2064 CB VAL A 139 -9.397 -5.808 2.116 1.00 0.88 C ATOM 2065 CG1 VAL A 139 -9.786 -7.178 1.563 1.00 1.19 C ATOM 2066 CG2 VAL A 139 -8.048 -5.412 1.522 1.00 1.23 C ATOM 0 H VAL A 139 -12.251 -5.700 2.046 1.00 0.83 H new ATOM 0 HA VAL A 139 -9.977 -3.793 2.321 1.00 0.83 H new ATOM 0 HB VAL A 139 -9.348 -5.917 3.199 1.00 0.88 H new ATOM 0 HG11 VAL A 139 -8.992 -7.894 1.774 1.00 1.19 H new ATOM 0 HG12 VAL A 139 -10.710 -7.512 2.035 1.00 1.19 H new ATOM 0 HG13 VAL A 139 -9.934 -7.107 0.485 1.00 1.19 H new ATOM 0 HG21 VAL A 139 -7.328 -6.213 1.688 1.00 1.23 H new ATOM 0 HG22 VAL A 139 -8.158 -5.239 0.451 1.00 1.23 H new ATOM 0 HG23 VAL A 139 -7.693 -4.500 2.002 1.00 1.23 H new ATOM 2076 N ALA A 140 -10.309 -3.191 -0.035 1.00 0.68 N ATOM 2077 CA ALA A 140 -10.576 -2.752 -1.392 1.00 0.60 C ATOM 2078 C ALA A 140 -9.230 -2.604 -2.083 1.00 0.62 C ATOM 2079 O ALA A 140 -8.390 -1.829 -1.635 1.00 0.78 O ATOM 2080 CB ALA A 140 -11.369 -1.441 -1.376 1.00 0.59 C ATOM 0 H ALA A 140 -9.787 -2.516 0.524 1.00 0.68 H new ATOM 0 HA ALA A 140 -11.187 -3.472 -1.936 1.00 0.60 H new ATOM 0 HB1 ALA A 140 -11.564 -1.121 -2.400 1.00 0.59 H new ATOM 0 HB2 ALA A 140 -12.315 -1.595 -0.858 1.00 0.59 H new ATOM 0 HB3 ALA A 140 -10.793 -0.673 -0.859 1.00 0.59 H new ATOM 2086 N ILE A 141 -8.996 -3.367 -3.147 1.00 0.60 N ATOM 2087 CA ILE A 141 -7.704 -3.449 -3.800 1.00 0.63 C ATOM 2088 C ILE A 141 -7.895 -2.916 -5.208 1.00 0.75 C ATOM 2089 O ILE A 141 -8.871 -3.263 -5.864 1.00 0.92 O ATOM 2090 CB ILE A 141 -7.237 -4.911 -3.837 1.00 0.75 C ATOM 2091 CG1 ILE A 141 -7.169 -5.550 -2.438 1.00 1.15 C ATOM 2092 CG2 ILE A 141 -5.862 -4.975 -4.509 1.00 1.06 C ATOM 2093 CD1 ILE A 141 -7.174 -7.079 -2.532 1.00 1.07 C ATOM 0 H ILE A 141 -9.711 -3.951 -3.581 1.00 0.60 H new ATOM 0 HA ILE A 141 -6.948 -2.871 -3.268 1.00 0.63 H new ATOM 0 HB ILE A 141 -7.971 -5.481 -4.406 1.00 0.75 H new ATOM 0 HG12 ILE A 141 -6.267 -5.217 -1.925 1.00 1.15 H new ATOM 0 HG13 ILE A 141 -8.017 -5.216 -1.840 1.00 1.15 H new ATOM 0 HG21 ILE A 141 -5.520 -6.010 -4.541 1.00 1.06 H new ATOM 0 HG22 ILE A 141 -5.935 -4.586 -5.524 1.00 1.06 H new ATOM 0 HG23 ILE A 141 -5.151 -4.375 -3.941 1.00 1.06 H new ATOM 0 HD11 ILE A 141 -7.125 -7.505 -1.530 1.00 1.07 H new ATOM 0 HD12 ILE A 141 -8.089 -7.410 -3.023 1.00 1.07 H new ATOM 0 HD13 ILE A 141 -6.311 -7.411 -3.110 1.00 1.07 H new ATOM 2105 N TYR A 142 -6.981 -2.081 -5.690 1.00 0.80 N ATOM 2106 CA TYR A 142 -7.038 -1.555 -7.042 1.00 1.14 C ATOM 2107 C TYR A 142 -5.782 -1.960 -7.796 1.00 1.39 C ATOM 2108 O TYR A 142 -4.713 -2.046 -7.195 1.00 1.74 O ATOM 2109 CB TYR A 142 -7.061 -0.015 -7.096 1.00 1.46 C ATOM 2110 CG TYR A 142 -8.090 0.839 -6.374 1.00 1.60 C ATOM 2111 CD1 TYR A 142 -8.973 0.364 -5.381 1.00 2.49 C ATOM 2112 CD2 TYR A 142 -8.091 2.208 -6.696 1.00 2.38 C ATOM 2113 CE1 TYR A 142 -9.825 1.256 -4.702 1.00 3.57 C ATOM 2114 CE2 TYR A 142 -8.949 3.100 -6.041 1.00 3.53 C ATOM 2115 CZ TYR A 142 -9.812 2.630 -5.028 1.00 3.98 C ATOM 2116 OH TYR A 142 -10.622 3.508 -4.380 1.00 5.29 O ATOM 0 H TYR A 142 -6.180 -1.752 -5.151 1.00 0.80 H new ATOM 0 HA TYR A 142 -7.956 -1.955 -7.474 1.00 1.14 H new ATOM 0 HB2 TYR A 142 -6.085 0.318 -6.743 1.00 1.46 H new ATOM 0 HB3 TYR A 142 -7.127 0.253 -8.150 1.00 1.46 H new ATOM 0 HD1 TYR A 142 -8.995 -0.689 -5.141 1.00 2.49 H new ATOM 0 HD2 TYR A 142 -7.421 2.576 -7.459 1.00 2.38 H new ATOM 0 HE1 TYR A 142 -10.488 0.890 -3.932 1.00 3.57 H new ATOM 0 HE2 TYR A 142 -8.950 4.146 -6.311 1.00 3.53 H new ATOM 0 HH TYR A 142 -11.331 3.017 -3.915 1.00 5.29 H new ATOM 2126 N CYS A 143 -5.887 -2.063 -9.125 1.00 1.18 N ATOM 2127 CA CYS A 143 -4.844 -1.574 -10.015 1.00 0.93 C ATOM 2128 C CYS A 143 -5.408 -1.377 -11.425 1.00 0.87 C ATOM 2129 O CYS A 143 -6.148 -2.214 -11.945 1.00 1.06 O ATOM 2130 CB CYS A 143 -3.621 -2.503 -10.036 1.00 1.05 C ATOM 2131 SG CYS A 143 -2.256 -1.690 -9.154 1.00 2.02 S ATOM 0 H CYS A 143 -6.686 -2.481 -9.602 1.00 1.18 H new ATOM 0 HA CYS A 143 -4.502 -0.612 -9.632 1.00 0.93 H new ATOM 0 HB2 CYS A 143 -3.862 -3.455 -9.564 1.00 1.05 H new ATOM 0 HB3 CYS A 143 -3.330 -2.721 -11.063 1.00 1.05 H new ATOM 0 HG CYS A 143 -1.241 -2.499 -9.086 1.00 2.02 H new ATOM 2137 N ARG A 144 -5.041 -0.261 -12.054 1.00 0.90 N ATOM 2138 CA ARG A 144 -5.289 0.013 -13.466 1.00 1.02 C ATOM 2139 C ARG A 144 -4.455 -0.909 -14.349 1.00 1.15 C ATOM 2140 O ARG A 144 -3.331 -0.569 -14.707 1.00 1.57 O ATOM 2141 CB ARG A 144 -4.962 1.484 -13.796 1.00 1.23 C ATOM 2142 CG ARG A 144 -3.737 2.024 -13.026 1.00 1.87 C ATOM 2143 CD ARG A 144 -2.842 2.990 -13.805 1.00 2.50 C ATOM 2144 NE ARG A 144 -3.593 3.998 -14.561 1.00 2.67 N ATOM 2145 CZ ARG A 144 -3.663 4.086 -15.896 1.00 2.91 C ATOM 2146 NH1 ARG A 144 -4.279 5.125 -16.460 1.00 3.63 N ATOM 2147 NH2 ARG A 144 -3.121 3.144 -16.674 1.00 3.30 N ATOM 0 H ARG A 144 -4.550 0.497 -11.581 1.00 0.90 H new ATOM 0 HA ARG A 144 -6.345 -0.170 -13.664 1.00 1.02 H new ATOM 0 HB2 ARG A 144 -4.780 1.577 -14.867 1.00 1.23 H new ATOM 0 HB3 ARG A 144 -5.829 2.103 -13.565 1.00 1.23 H new ATOM 0 HG2 ARG A 144 -4.089 2.528 -12.126 1.00 1.87 H new ATOM 0 HG3 ARG A 144 -3.132 1.178 -12.701 1.00 1.87 H new ATOM 0 HD2 ARG A 144 -2.171 3.494 -13.109 1.00 2.50 H new ATOM 0 HD3 ARG A 144 -2.218 2.420 -14.494 1.00 2.50 H new ATOM 0 HE ARG A 144 -4.108 4.694 -14.022 1.00 2.67 H new ATOM 0 HH11 ARG A 144 -4.695 5.850 -15.875 1.00 3.63 H new ATOM 0 HH12 ARG A 144 -4.334 5.195 -17.476 1.00 3.63 H new ATOM 0 HH21 ARG A 144 -2.647 2.345 -16.253 1.00 3.30 H new ATOM 0 HH22 ARG A 144 -3.182 3.224 -17.689 1.00 3.30 H new ATOM 2161 N ASP A 145 -5.039 -2.043 -14.731 1.00 0.97 N ATOM 2162 CA ASP A 145 -4.434 -2.989 -15.668 1.00 1.10 C ATOM 2163 C ASP A 145 -5.454 -3.996 -16.200 1.00 1.04 C ATOM 2164 O ASP A 145 -5.362 -4.408 -17.351 1.00 1.36 O ATOM 2165 CB ASP A 145 -3.294 -3.737 -14.981 1.00 1.20 C ATOM 2166 CG ASP A 145 -2.760 -4.832 -15.893 1.00 1.48 C ATOM 2167 OD1 ASP A 145 -3.310 -5.949 -15.777 1.00 2.10 O ATOM 2168 OD2 ASP A 145 -1.823 -4.548 -16.667 1.00 2.53 O ATOM 0 H ASP A 145 -5.957 -2.335 -14.395 1.00 0.97 H new ATOM 0 HA ASP A 145 -4.053 -2.417 -16.514 1.00 1.10 H new ATOM 0 HB2 ASP A 145 -2.494 -3.042 -14.728 1.00 1.20 H new ATOM 0 HB3 ASP A 145 -3.646 -4.172 -14.046 1.00 1.20 H new ATOM 2173 N LYS A 146 -6.419 -4.400 -15.365 1.00 0.86 N ATOM 2174 CA LYS A 146 -7.518 -5.317 -15.686 1.00 0.87 C ATOM 2175 C LYS A 146 -7.155 -6.788 -15.506 1.00 0.87 C ATOM 2176 O LYS A 146 -7.945 -7.529 -14.923 1.00 0.85 O ATOM 2177 CB LYS A 146 -8.161 -5.036 -17.052 1.00 0.97 C ATOM 2178 CG LYS A 146 -9.374 -5.935 -17.322 1.00 1.21 C ATOM 2179 CD LYS A 146 -10.291 -5.239 -18.331 1.00 1.80 C ATOM 2180 CE LYS A 146 -11.240 -4.302 -17.579 1.00 2.17 C ATOM 2181 NZ LYS A 146 -12.488 -4.980 -17.176 1.00 2.87 N ATOM 0 H LYS A 146 -6.456 -4.079 -14.397 1.00 0.86 H new ATOM 0 HA LYS A 146 -8.285 -5.107 -14.940 1.00 0.87 H new ATOM 0 HB2 LYS A 146 -8.469 -3.991 -17.098 1.00 0.97 H new ATOM 0 HB3 LYS A 146 -7.420 -5.185 -17.837 1.00 0.97 H new ATOM 0 HG2 LYS A 146 -9.049 -6.900 -17.711 1.00 1.21 H new ATOM 0 HG3 LYS A 146 -9.913 -6.130 -16.395 1.00 1.21 H new ATOM 0 HD2 LYS A 146 -9.699 -4.675 -19.052 1.00 1.80 H new ATOM 0 HD3 LYS A 146 -10.860 -5.978 -18.895 1.00 1.80 H new ATOM 0 HE2 LYS A 146 -10.738 -3.913 -16.694 1.00 2.17 H new ATOM 0 HE3 LYS A 146 -11.480 -3.447 -18.211 1.00 2.17 H new ATOM 0 HZ1 LYS A 146 -13.281 -4.309 -17.232 1.00 2.87 H new ATOM 0 HZ2 LYS A 146 -12.668 -5.783 -17.812 1.00 2.87 H new ATOM 0 HZ3 LYS A 146 -12.395 -5.326 -16.200 1.00 2.87 H new ATOM 2195 N LYS A 147 -5.975 -7.254 -15.918 1.00 0.93 N ATOM 2196 CA LYS A 147 -5.646 -8.655 -15.637 1.00 0.94 C ATOM 2197 C LYS A 147 -5.667 -8.940 -14.148 1.00 0.86 C ATOM 2198 O LYS A 147 -5.941 -10.069 -13.744 1.00 0.87 O ATOM 2199 CB LYS A 147 -4.289 -9.045 -16.219 1.00 1.03 C ATOM 2200 CG LYS A 147 -4.514 -9.688 -17.590 1.00 1.22 C ATOM 2201 CD LYS A 147 -3.231 -9.758 -18.416 1.00 1.77 C ATOM 2202 CE LYS A 147 -3.501 -10.652 -19.630 1.00 2.38 C ATOM 2203 NZ LYS A 147 -2.408 -10.592 -20.623 1.00 2.91 N ATOM 0 H LYS A 147 -5.266 -6.719 -16.419 1.00 0.93 H new ATOM 0 HA LYS A 147 -6.414 -9.259 -16.120 1.00 0.94 H new ATOM 0 HB2 LYS A 147 -3.651 -8.166 -16.313 1.00 1.03 H new ATOM 0 HB3 LYS A 147 -3.778 -9.741 -15.554 1.00 1.03 H new ATOM 0 HG2 LYS A 147 -4.912 -10.694 -17.456 1.00 1.22 H new ATOM 0 HG3 LYS A 147 -5.265 -9.118 -18.137 1.00 1.22 H new ATOM 0 HD2 LYS A 147 -2.928 -8.761 -18.736 1.00 1.77 H new ATOM 0 HD3 LYS A 147 -2.414 -10.162 -17.818 1.00 1.77 H new ATOM 0 HE2 LYS A 147 -3.632 -11.682 -19.298 1.00 2.38 H new ATOM 0 HE3 LYS A 147 -4.435 -10.348 -20.102 1.00 2.38 H new ATOM 0 HZ1 LYS A 147 -2.634 -11.212 -21.426 1.00 2.91 H new ATOM 0 HZ2 LYS A 147 -2.299 -9.614 -20.960 1.00 2.91 H new ATOM 0 HZ3 LYS A 147 -1.520 -10.907 -20.182 1.00 2.91 H new ATOM 2217 N TRP A 148 -5.382 -7.945 -13.314 1.00 0.84 N ATOM 2218 CA TRP A 148 -5.334 -8.216 -11.898 1.00 0.83 C ATOM 2219 C TRP A 148 -6.749 -8.317 -11.350 1.00 0.81 C ATOM 2220 O TRP A 148 -6.952 -9.035 -10.384 1.00 0.80 O ATOM 2221 CB TRP A 148 -4.597 -7.143 -11.105 1.00 0.94 C ATOM 2222 CG TRP A 148 -3.265 -6.603 -11.524 1.00 1.67 C ATOM 2223 CD1 TRP A 148 -2.777 -6.473 -12.777 1.00 2.70 C ATOM 2224 CD2 TRP A 148 -2.279 -5.969 -10.657 1.00 2.31 C ATOM 2225 NE1 TRP A 148 -1.617 -5.728 -12.753 1.00 3.96 N ATOM 2226 CE2 TRP A 148 -1.281 -5.358 -11.469 1.00 3.76 C ATOM 2227 CE3 TRP A 148 -2.155 -5.819 -9.261 1.00 2.03 C ATOM 2228 CZ2 TRP A 148 -0.250 -4.574 -10.930 1.00 4.73 C ATOM 2229 CZ3 TRP A 148 -1.101 -5.072 -8.710 1.00 2.92 C ATOM 2230 CH2 TRP A 148 -0.162 -4.432 -9.536 1.00 4.24 C ATOM 0 H TRP A 148 -5.189 -6.982 -13.588 1.00 0.84 H new ATOM 0 HA TRP A 148 -4.789 -9.153 -11.783 1.00 0.83 H new ATOM 0 HB2 TRP A 148 -5.271 -6.289 -11.035 1.00 0.94 H new ATOM 0 HB3 TRP A 148 -4.471 -7.533 -10.095 1.00 0.94 H new ATOM 0 HD1 TRP A 148 -3.228 -6.890 -13.665 1.00 2.70 H new ATOM 0 HE1 TRP A 148 -1.076 -5.482 -13.582 1.00 3.96 H new ATOM 0 HE3 TRP A 148 -2.879 -6.284 -8.608 1.00 2.03 H new ATOM 0 HZ2 TRP A 148 0.465 -4.087 -11.577 1.00 4.73 H new ATOM 0 HZ3 TRP A 148 -1.011 -4.988 -7.637 1.00 2.92 H new ATOM 0 HH2 TRP A 148 0.624 -3.833 -9.100 1.00 4.24 H new ATOM 2241 N GLU A 149 -7.733 -7.607 -11.913 1.00 0.85 N ATOM 2242 CA GLU A 149 -9.086 -7.749 -11.384 1.00 0.90 C ATOM 2243 C GLU A 149 -9.622 -9.123 -11.746 1.00 0.90 C ATOM 2244 O GLU A 149 -10.329 -9.727 -10.948 1.00 0.93 O ATOM 2245 CB GLU A 149 -10.039 -6.594 -11.748 1.00 1.03 C ATOM 2246 CG GLU A 149 -10.419 -6.488 -13.227 1.00 1.87 C ATOM 2247 CD GLU A 149 -11.493 -5.436 -13.531 1.00 2.40 C ATOM 2248 OE1 GLU A 149 -11.890 -4.663 -12.633 1.00 3.10 O ATOM 2249 OE2 GLU A 149 -11.889 -5.339 -14.715 1.00 3.01 O ATOM 0 H GLU A 149 -7.626 -6.961 -12.695 1.00 0.85 H new ATOM 0 HA GLU A 149 -9.028 -7.674 -10.298 1.00 0.90 H new ATOM 0 HB2 GLU A 149 -10.953 -6.704 -11.164 1.00 1.03 H new ATOM 0 HB3 GLU A 149 -9.576 -5.656 -11.443 1.00 1.03 H new ATOM 0 HG2 GLU A 149 -9.524 -6.253 -13.804 1.00 1.87 H new ATOM 0 HG3 GLU A 149 -10.773 -7.460 -13.569 1.00 1.87 H new ATOM 2256 N MET A 150 -9.233 -9.659 -12.905 1.00 0.91 N ATOM 2257 CA MET A 150 -9.576 -11.018 -13.270 1.00 0.98 C ATOM 2258 C MET A 150 -8.948 -11.995 -12.282 1.00 0.91 C ATOM 2259 O MET A 150 -9.652 -12.774 -11.650 1.00 0.92 O ATOM 2260 CB MET A 150 -9.123 -11.301 -14.704 1.00 1.08 C ATOM 2261 CG MET A 150 -10.255 -10.973 -15.676 1.00 1.22 C ATOM 2262 SD MET A 150 -9.879 -11.379 -17.400 1.00 1.79 S ATOM 2263 CE MET A 150 -11.506 -11.996 -17.908 1.00 2.46 C ATOM 0 H MET A 150 -8.679 -9.163 -13.603 1.00 0.91 H new ATOM 0 HA MET A 150 -10.658 -11.147 -13.227 1.00 0.98 H new ATOM 0 HB2 MET A 150 -8.242 -10.704 -14.942 1.00 1.08 H new ATOM 0 HB3 MET A 150 -8.836 -12.348 -14.805 1.00 1.08 H new ATOM 0 HG2 MET A 150 -11.151 -11.515 -15.372 1.00 1.22 H new ATOM 0 HG3 MET A 150 -10.486 -9.910 -15.605 1.00 1.22 H new ATOM 0 HE1 MET A 150 -11.470 -12.298 -18.955 1.00 2.46 H new ATOM 0 HE2 MET A 150 -11.778 -12.853 -17.292 1.00 2.46 H new ATOM 0 HE3 MET A 150 -12.249 -11.209 -17.783 1.00 2.46 H new ATOM 2273 N THR A 151 -7.628 -11.973 -12.128 1.00 0.88 N ATOM 2274 CA THR A 151 -6.950 -12.969 -11.319 1.00 0.90 C ATOM 2275 C THR A 151 -7.354 -12.873 -9.856 1.00 0.80 C ATOM 2276 O THR A 151 -7.597 -13.883 -9.199 1.00 0.82 O ATOM 2277 CB THR A 151 -5.440 -12.793 -11.497 1.00 0.96 C ATOM 2278 OG1 THR A 151 -5.102 -12.708 -12.867 1.00 1.04 O ATOM 2279 CG2 THR A 151 -4.692 -13.987 -10.927 1.00 1.09 C ATOM 0 H THR A 151 -7.013 -11.279 -12.552 1.00 0.88 H new ATOM 0 HA THR A 151 -7.242 -13.965 -11.651 1.00 0.90 H new ATOM 0 HB THR A 151 -5.162 -11.877 -10.976 1.00 0.96 H new ATOM 0 HG1 THR A 151 -5.248 -11.792 -13.184 1.00 1.04 H new ATOM 0 HG21 THR A 151 -3.620 -13.844 -11.063 1.00 1.09 H new ATOM 0 HG22 THR A 151 -4.914 -14.081 -9.864 1.00 1.09 H new ATOM 0 HG23 THR A 151 -5.005 -14.894 -11.445 1.00 1.09 H new ATOM 2287 N LEU A 152 -7.450 -11.653 -9.338 1.00 0.72 N ATOM 2288 CA LEU A 152 -7.862 -11.445 -7.966 1.00 0.67 C ATOM 2289 C LEU A 152 -9.309 -11.884 -7.813 1.00 0.66 C ATOM 2290 O LEU A 152 -9.651 -12.401 -6.761 1.00 0.65 O ATOM 2291 CB LEU A 152 -7.682 -9.986 -7.520 1.00 0.69 C ATOM 2292 CG LEU A 152 -6.213 -9.543 -7.400 1.00 0.98 C ATOM 2293 CD1 LEU A 152 -6.154 -8.024 -7.210 1.00 1.87 C ATOM 2294 CD2 LEU A 152 -5.522 -10.207 -6.204 1.00 1.86 C ATOM 0 H LEU A 152 -7.247 -10.796 -9.853 1.00 0.72 H new ATOM 0 HA LEU A 152 -7.223 -12.046 -7.319 1.00 0.67 H new ATOM 0 HB2 LEU A 152 -8.190 -9.335 -8.231 1.00 0.69 H new ATOM 0 HB3 LEU A 152 -8.172 -9.849 -6.556 1.00 0.69 H new ATOM 0 HG LEU A 152 -5.699 -9.842 -8.313 1.00 0.98 H new ATOM 0 HD11 LEU A 152 -5.114 -7.708 -7.125 1.00 1.87 H new ATOM 0 HD12 LEU A 152 -6.614 -7.532 -8.067 1.00 1.87 H new ATOM 0 HD13 LEU A 152 -6.692 -7.750 -6.303 1.00 1.87 H new ATOM 0 HD21 LEU A 152 -4.486 -9.871 -6.150 1.00 1.86 H new ATOM 0 HD22 LEU A 152 -6.041 -9.933 -5.286 1.00 1.86 H new ATOM 0 HD23 LEU A 152 -5.547 -11.290 -6.325 1.00 1.86 H new ATOM 2306 N LYS A 153 -10.162 -11.732 -8.833 1.00 0.72 N ATOM 2307 CA LYS A 153 -11.523 -12.251 -8.758 1.00 0.81 C ATOM 2308 C LYS A 153 -11.492 -13.766 -8.689 1.00 0.85 C ATOM 2309 O LYS A 153 -12.273 -14.356 -7.955 1.00 0.90 O ATOM 2310 CB LYS A 153 -12.354 -11.818 -9.974 1.00 1.05 C ATOM 2311 CG LYS A 153 -13.027 -10.454 -9.778 1.00 1.02 C ATOM 2312 CD LYS A 153 -14.525 -10.672 -9.567 1.00 1.80 C ATOM 2313 CE LYS A 153 -15.250 -9.334 -9.406 1.00 2.67 C ATOM 2314 NZ LYS A 153 -16.714 -9.524 -9.307 1.00 3.56 N ATOM 0 H LYS A 153 -9.933 -11.259 -9.707 1.00 0.72 H new ATOM 0 HA LYS A 153 -11.987 -11.845 -7.859 1.00 0.81 H new ATOM 0 HB2 LYS A 153 -11.710 -11.778 -10.853 1.00 1.05 H new ATOM 0 HB3 LYS A 153 -13.118 -12.570 -10.173 1.00 1.05 H new ATOM 0 HG2 LYS A 153 -12.595 -9.940 -8.919 1.00 1.02 H new ATOM 0 HG3 LYS A 153 -12.856 -9.820 -10.648 1.00 1.02 H new ATOM 0 HD2 LYS A 153 -14.941 -11.217 -10.415 1.00 1.80 H new ATOM 0 HD3 LYS A 153 -14.687 -11.287 -8.682 1.00 1.80 H new ATOM 0 HE2 LYS A 153 -14.886 -8.826 -8.513 1.00 2.67 H new ATOM 0 HE3 LYS A 153 -15.021 -8.690 -10.255 1.00 2.67 H new ATOM 0 HZ1 LYS A 153 -17.178 -8.599 -9.199 1.00 3.56 H new ATOM 0 HZ2 LYS A 153 -17.063 -9.987 -10.170 1.00 3.56 H new ATOM 0 HZ3 LYS A 153 -16.932 -10.119 -8.482 1.00 3.56 H new ATOM 2328 N GLU A 154 -10.622 -14.402 -9.466 1.00 0.90 N ATOM 2329 CA GLU A 154 -10.619 -15.850 -9.595 1.00 1.01 C ATOM 2330 C GLU A 154 -10.248 -16.457 -8.251 1.00 0.97 C ATOM 2331 O GLU A 154 -10.868 -17.399 -7.775 1.00 1.06 O ATOM 2332 CB GLU A 154 -9.622 -16.291 -10.672 1.00 1.12 C ATOM 2333 CG GLU A 154 -10.111 -17.596 -11.309 1.00 1.47 C ATOM 2334 CD GLU A 154 -8.974 -18.337 -12.012 1.00 2.21 C ATOM 2335 OE1 GLU A 154 -8.663 -17.954 -13.161 1.00 2.96 O ATOM 2336 OE2 GLU A 154 -8.430 -19.272 -11.381 1.00 3.07 O ATOM 0 H GLU A 154 -9.906 -13.931 -10.019 1.00 0.90 H new ATOM 0 HA GLU A 154 -11.609 -16.193 -9.894 1.00 1.01 H new ATOM 0 HB2 GLU A 154 -9.524 -15.516 -11.432 1.00 1.12 H new ATOM 0 HB3 GLU A 154 -8.635 -16.434 -10.233 1.00 1.12 H new ATOM 0 HG2 GLU A 154 -10.544 -18.237 -10.541 1.00 1.47 H new ATOM 0 HG3 GLU A 154 -10.903 -17.378 -12.026 1.00 1.47 H new ATOM 2343 N ALA A 155 -9.233 -15.876 -7.623 1.00 0.88 N ATOM 2344 CA ALA A 155 -8.742 -16.299 -6.326 1.00 0.88 C ATOM 2345 C ALA A 155 -9.726 -15.920 -5.234 1.00 0.81 C ATOM 2346 O ALA A 155 -9.921 -16.694 -4.306 1.00 0.88 O ATOM 2347 CB ALA A 155 -7.362 -15.689 -6.067 1.00 0.89 C ATOM 0 H ALA A 155 -8.722 -15.084 -8.012 1.00 0.88 H new ATOM 0 HA ALA A 155 -8.643 -17.385 -6.319 1.00 0.88 H new ATOM 0 HB1 ALA A 155 -6.999 -16.011 -5.091 1.00 0.89 H new ATOM 0 HB2 ALA A 155 -6.667 -16.019 -6.839 1.00 0.89 H new ATOM 0 HB3 ALA A 155 -7.435 -14.602 -6.086 1.00 0.89 H new ATOM 2353 N VAL A 156 -10.373 -14.759 -5.335 1.00 0.72 N ATOM 2354 CA VAL A 156 -11.417 -14.381 -4.398 1.00 0.72 C ATOM 2355 C VAL A 156 -12.581 -15.363 -4.524 1.00 0.81 C ATOM 2356 O VAL A 156 -13.269 -15.619 -3.542 1.00 0.90 O ATOM 2357 CB VAL A 156 -11.812 -12.911 -4.629 1.00 0.68 C ATOM 2358 CG1 VAL A 156 -13.201 -12.559 -4.100 1.00 0.77 C ATOM 2359 CG2 VAL A 156 -10.778 -12.006 -3.946 1.00 0.66 C ATOM 0 H VAL A 156 -10.188 -14.066 -6.060 1.00 0.72 H new ATOM 0 HA VAL A 156 -11.065 -14.442 -3.368 1.00 0.72 H new ATOM 0 HB VAL A 156 -11.836 -12.757 -5.708 1.00 0.68 H new ATOM 0 HG11 VAL A 156 -13.410 -11.508 -4.298 1.00 0.77 H new ATOM 0 HG12 VAL A 156 -13.948 -13.178 -4.598 1.00 0.77 H new ATOM 0 HG13 VAL A 156 -13.238 -12.740 -3.026 1.00 0.77 H new ATOM 0 HG21 VAL A 156 -11.048 -10.962 -4.103 1.00 0.66 H new ATOM 0 HG22 VAL A 156 -10.758 -12.219 -2.877 1.00 0.66 H new ATOM 0 HG23 VAL A 156 -9.792 -12.194 -4.372 1.00 0.66 H new ATOM 2369 N ALA A 157 -12.788 -15.952 -5.703 1.00 0.88 N ATOM 2370 CA ALA A 157 -13.866 -16.917 -5.869 1.00 1.03 C ATOM 2371 C ALA A 157 -13.448 -18.252 -5.257 1.00 1.09 C ATOM 2372 O ALA A 157 -14.180 -18.863 -4.488 1.00 1.18 O ATOM 2373 CB ALA A 157 -14.226 -17.043 -7.352 1.00 1.17 C ATOM 0 H ALA A 157 -12.232 -15.780 -6.541 1.00 0.88 H new ATOM 0 HA ALA A 157 -14.761 -16.579 -5.347 1.00 1.03 H new ATOM 0 HB1 ALA A 157 -15.033 -17.766 -7.470 1.00 1.17 H new ATOM 0 HB2 ALA A 157 -14.549 -16.074 -7.732 1.00 1.17 H new ATOM 0 HB3 ALA A 157 -13.353 -17.379 -7.911 1.00 1.17 H new ATOM 2379 N ARG A 158 -12.233 -18.706 -5.558 1.00 1.11 N ATOM 2380 CA ARG A 158 -11.685 -19.924 -4.983 1.00 1.25 C ATOM 2381 C ARG A 158 -11.479 -19.806 -3.470 1.00 1.22 C ATOM 2382 O ARG A 158 -11.273 -20.818 -2.810 1.00 1.39 O ATOM 2383 CB ARG A 158 -10.388 -20.309 -5.712 1.00 1.36 C ATOM 2384 CG ARG A 158 -10.598 -21.594 -6.515 1.00 1.55 C ATOM 2385 CD ARG A 158 -9.356 -21.887 -7.358 1.00 1.56 C ATOM 2386 NE ARG A 158 -9.344 -23.282 -7.822 1.00 1.98 N ATOM 2387 CZ ARG A 158 -8.249 -23.942 -8.218 1.00 2.69 C ATOM 2388 NH1 ARG A 158 -8.309 -25.252 -8.462 1.00 3.48 N ATOM 2389 NH2 ARG A 158 -7.094 -23.292 -8.360 1.00 3.26 N ATOM 0 H ARG A 158 -11.603 -18.236 -6.209 1.00 1.11 H new ATOM 0 HA ARG A 158 -12.410 -20.725 -5.125 1.00 1.25 H new ATOM 0 HB2 ARG A 158 -10.082 -19.501 -6.377 1.00 1.36 H new ATOM 0 HB3 ARG A 158 -9.584 -20.450 -4.990 1.00 1.36 H new ATOM 0 HG2 ARG A 158 -10.796 -22.427 -5.840 1.00 1.55 H new ATOM 0 HG3 ARG A 158 -11.471 -21.492 -7.160 1.00 1.55 H new ATOM 0 HD2 ARG A 158 -9.329 -21.216 -8.216 1.00 1.56 H new ATOM 0 HD3 ARG A 158 -8.460 -21.689 -6.770 1.00 1.56 H new ATOM 0 HE ARG A 158 -10.233 -23.782 -7.844 1.00 1.98 H new ATOM 0 HH11 ARG A 158 -9.190 -25.752 -8.347 1.00 3.48 H new ATOM 0 HH12 ARG A 158 -7.474 -25.753 -8.764 1.00 3.48 H new ATOM 0 HH21 ARG A 158 -7.045 -22.292 -8.167 1.00 3.26 H new ATOM 0 HH22 ARG A 158 -6.260 -23.795 -8.662 1.00 3.26 H new ATOM 2403 N ARG A 159 -11.484 -18.587 -2.928 1.00 1.07 N ATOM 2404 CA ARG A 159 -11.367 -18.324 -1.497 1.00 1.10 C ATOM 2405 C ARG A 159 -12.655 -18.566 -0.712 1.00 1.18 C ATOM 2406 O ARG A 159 -12.582 -18.478 0.511 1.00 1.47 O ATOM 2407 CB ARG A 159 -10.913 -16.872 -1.282 1.00 1.18 C ATOM 2408 CG ARG A 159 -9.392 -16.743 -1.358 1.00 1.72 C ATOM 2409 CD ARG A 159 -8.794 -17.007 0.024 1.00 1.99 C ATOM 2410 NE ARG A 159 -7.327 -16.976 -0.026 1.00 2.71 N ATOM 2411 CZ ARG A 159 -6.523 -16.991 1.042 1.00 3.27 C ATOM 2412 NH1 ARG A 159 -5.206 -16.902 0.870 1.00 4.21 N ATOM 2413 NH2 ARG A 159 -7.039 -17.087 2.268 1.00 3.43 N ATOM 0 H ARG A 159 -11.572 -17.738 -3.486 1.00 1.07 H new ATOM 0 HA ARG A 159 -10.633 -19.033 -1.115 1.00 1.10 H new ATOM 0 HB2 ARG A 159 -11.372 -16.231 -2.035 1.00 1.18 H new ATOM 0 HB3 ARG A 159 -11.261 -16.521 -0.310 1.00 1.18 H new ATOM 0 HG2 ARG A 159 -8.991 -17.452 -2.082 1.00 1.72 H new ATOM 0 HG3 ARG A 159 -9.117 -15.746 -1.702 1.00 1.72 H new ATOM 0 HD2 ARG A 159 -9.154 -16.258 0.730 1.00 1.99 H new ATOM 0 HD3 ARG A 159 -9.129 -17.977 0.390 1.00 1.99 H new ATOM 0 HE ARG A 159 -6.888 -16.940 -0.946 1.00 2.71 H new ATOM 0 HH11 ARG A 159 -4.819 -16.823 -0.070 1.00 4.21 H new ATOM 0 HH12 ARG A 159 -4.584 -16.913 1.679 1.00 4.21 H new ATOM 0 HH21 ARG A 159 -8.049 -17.149 2.393 1.00 3.43 H new ATOM 0 HH22 ARG A 159 -6.423 -17.098 3.081 1.00 3.43 H new ATOM 2427 N GLU A 160 -13.807 -18.790 -1.353 1.00 1.14 N ATOM 2428 CA GLU A 160 -15.032 -19.069 -0.606 1.00 1.36 C ATOM 2429 C GLU A 160 -14.858 -20.297 0.291 1.00 2.31 C ATOM 2430 O GLU A 160 -15.405 -20.254 1.415 1.00 2.94 O ATOM 2431 CB GLU A 160 -16.231 -19.249 -1.550 1.00 1.83 C ATOM 2432 CG GLU A 160 -16.594 -17.940 -2.267 1.00 2.59 C ATOM 2433 CD GLU A 160 -17.883 -18.053 -3.093 1.00 3.71 C ATOM 2434 OE1 GLU A 160 -18.704 -17.110 -3.003 1.00 4.51 O ATOM 2435 OE2 GLU A 160 -18.039 -19.061 -3.819 1.00 4.39 O ATOM 0 H GLU A 160 -13.914 -18.784 -2.367 1.00 1.14 H new ATOM 0 HA GLU A 160 -15.235 -18.208 0.031 1.00 1.36 H new ATOM 0 HB2 GLU A 160 -16.000 -20.016 -2.289 1.00 1.83 H new ATOM 0 HB3 GLU A 160 -17.091 -19.603 -0.982 1.00 1.83 H new ATOM 0 HG2 GLU A 160 -16.709 -17.146 -1.529 1.00 2.59 H new ATOM 0 HG3 GLU A 160 -15.772 -17.650 -2.922 1.00 2.59 H new TER 2442 GLU A 160