USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1614 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 15 THR OG1 : rot -179:sc= 0.0208 USER MOD Set 1.2: B 15 THR OG1 : rot -179:sc= 0.0194 USER MOD Set 2.1: A 45 GLN : amide:sc= -13! C(o=-18!,f=-25!) USER MOD Set 2.2: A 85 LYS NZ :NH3+ 134:sc= -3.39! (180deg=-2.66) USER MOD Set 2.3: B 7 THR OG1 : rot 81:sc= -1.37 USER MOD Set 3.1: A 7 THR OG1 : rot 78:sc= -2.07! USER MOD Set 3.2: B 45 GLN : amide:sc= -10.7! C(o=-15!,f=-22!) USER MOD Set 3.3: B 85 LYS NZ :NH3+ 157:sc= -2.23! (180deg=-1.73) USER MOD Single : A 1 MET CE :methyl -163:sc= -7.04! (180deg=-8.57!) USER MOD Single : A 1 MET N :NH3+ -150:sc= -0.128 (180deg=-0.547) USER MOD Single : A 5 THR OG1 : rot 78:sc= 0.928 USER MOD Single : A 18 SER OG : rot 88:sc= 1.06 USER MOD Single : A 19 THR OG1 : rot -71:sc= 0.952 USER MOD Single : A 22 THR OG1 : rot -81:sc= 1.33 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 110:sc= 0.409 USER MOD Single : A 34 ASN : amide:sc= -0.928 K(o=-0.93,f=-2.3) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0309 F(o=-1.5,f=-0.031) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0393 (180deg=-0.287) USER MOD Single : A 43 THR OG1 : rot -141:sc= 0.38 USER MOD Single : A 44 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.042) USER MOD Single : A 48 HIS : no HD1:sc= -3.53! C(o=-3.5!,f=-7.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= -0.0364 (180deg=-0.0364) USER MOD Single : A 55 SER OG : rot -127:sc= 0.0931 USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.413) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 73:sc= 0.775 USER MOD Single : A 66 ASN : amide:sc= -6.13! C(o=-6.1!,f=-5.8!) USER MOD Single : A 67 GLN :FLIP amide:sc= -3.02! C(o=-5!,f=-3!) USER MOD Single : A 69 SER OG : rot 141:sc= -1.6! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 63:sc= 0.209 USER MOD Single : A 89 LYS NZ :NH3+ -151:sc= -2.35! (180deg=-3.52!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 175:sc= -5.39! (180deg=-5.42!) USER MOD Single : B 1 MET N :NH3+ -170:sc= -0.0861 (180deg=-0.176) USER MOD Single : B 5 THR OG1 : rot 77:sc= 1.36 USER MOD Single : B 18 SER OG : rot 88:sc= 1.04 USER MOD Single : B 19 THR OG1 : rot -67:sc= 0.594 USER MOD Single : B 22 THR OG1 : rot -68:sc= 1.23 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 116:sc= 0.575 USER MOD Single : B 34 ASN : amide:sc= -1.49 K(o=-1.5,f=-3) USER MOD Single : B 36 ASN :FLIP amide:sc= -0.0221 F(o=-1.5,f=-0.022) USER MOD Single : B 39 LYS NZ :NH3+ -169:sc= -0.0521 (180deg=-0.283) USER MOD Single : B 43 THR OG1 : rot -93:sc= 0.448 USER MOD Single : B 44 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.016) USER MOD Single : B 48 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-8.4!) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc=-0.00938 (180deg=-0.00938) USER MOD Single : B 55 SER OG : rot -121:sc= 0.0571 USER MOD Single : B 59 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.518) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 72:sc= 0.893 USER MOD Single : B 66 ASN : amide:sc= -6.05! C(o=-6.1!,f=-5.7!) USER MOD Single : B 67 GLN :FLIP amide:sc= -3.1! C(o=-5.2!,f=-3.1!) USER MOD Single : B 69 SER OG : rot 138:sc= -1.52! USER MOD Single : B 74 SER OG : rot -50:sc= 0.63 USER MOD Single : B 76 TYR OH : rot 66:sc= 0.195 USER MOD Single : B 89 LYS NZ :NH3+ -150:sc= -2.38! (180deg=-3.76!) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.110 4.219 -2.721 1.00 0.64 N ATOM 2 CA MET A 1 -17.403 5.493 -3.020 1.00 0.59 C ATOM 3 C MET A 1 -16.117 5.247 -3.781 1.00 0.60 C ATOM 4 O MET A 1 -15.764 4.109 -4.088 1.00 0.61 O ATOM 5 CB MET A 1 -17.082 6.270 -1.731 1.00 0.57 C ATOM 6 CG MET A 1 -18.240 7.098 -1.131 1.00 0.61 C ATOM 7 SD MET A 1 -19.824 6.972 -2.017 1.00 0.96 S ATOM 8 CE MET A 1 -20.958 7.756 -0.874 1.00 1.17 C ATOM 0 H1 MET A 1 -19.135 4.391 -2.684 1.00 0.64 H new ATOM 0 H2 MET A 1 -17.903 3.524 -3.466 1.00 0.64 H new ATOM 0 H3 MET A 1 -17.787 3.850 -1.804 1.00 0.64 H new ATOM 0 HA MET A 1 -18.076 6.087 -3.639 1.00 0.59 H new ATOM 0 HB2 MET A 1 -16.742 5.559 -0.978 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.249 6.942 -1.934 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.394 6.783 -0.099 1.00 0.61 H new ATOM 0 HG3 MET A 1 -17.940 8.146 -1.103 1.00 0.61 H new ATOM 0 HE1 MET A 1 -21.982 7.488 -1.135 1.00 1.17 H new ATOM 0 HE2 MET A 1 -20.743 7.420 0.140 1.00 1.17 H new ATOM 0 HE3 MET A 1 -20.841 8.838 -0.930 1.00 1.17 H new ATOM 20 N ALA A 2 -15.417 6.333 -4.080 1.00 0.62 N ATOM 21 CA ALA A 2 -14.169 6.251 -4.812 1.00 0.65 C ATOM 22 C ALA A 2 -12.982 6.598 -3.937 1.00 0.62 C ATOM 23 O ALA A 2 -13.126 7.232 -2.890 1.00 0.72 O ATOM 24 CB ALA A 2 -14.204 7.161 -6.029 1.00 0.73 C ATOM 0 H ALA A 2 -15.696 7.280 -3.825 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.051 5.219 -5.141 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -13.259 7.086 -6.566 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -15.020 6.859 -6.686 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.359 8.191 -5.709 1.00 0.73 H new ATOM 30 N ALA A 3 -11.804 6.175 -4.374 1.00 0.73 N ATOM 31 CA ALA A 3 -10.586 6.449 -3.640 1.00 0.76 C ATOM 32 C ALA A 3 -10.007 7.789 -4.046 1.00 0.66 C ATOM 33 O ALA A 3 -9.036 7.861 -4.798 1.00 0.81 O ATOM 34 CB ALA A 3 -9.570 5.345 -3.858 1.00 1.06 C ATOM 0 H ALA A 3 -11.670 5.641 -5.233 1.00 0.73 H new ATOM 0 HA ALA A 3 -10.830 6.487 -2.578 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -8.662 5.570 -3.298 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -9.983 4.397 -3.514 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.333 5.273 -4.919 1.00 1.06 H new ATOM 40 N GLU A 4 -10.619 8.846 -3.547 1.00 0.63 N ATOM 41 CA GLU A 4 -10.165 10.195 -3.848 1.00 0.75 C ATOM 42 C GLU A 4 -8.877 10.501 -3.092 1.00 0.74 C ATOM 43 O GLU A 4 -7.783 10.250 -3.600 1.00 0.85 O ATOM 44 CB GLU A 4 -11.241 11.233 -3.520 1.00 0.97 C ATOM 45 CG GLU A 4 -12.130 10.849 -2.353 1.00 1.44 C ATOM 46 CD GLU A 4 -12.655 12.048 -1.602 1.00 2.42 C ATOM 47 OE1 GLU A 4 -11.845 12.730 -0.940 1.00 3.20 O ATOM 48 OE2 GLU A 4 -13.875 12.303 -1.675 1.00 3.03 O ATOM 0 H GLU A 4 -11.431 8.799 -2.932 1.00 0.63 H new ATOM 0 HA GLU A 4 -9.966 10.251 -4.918 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -10.758 12.185 -3.298 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -11.863 11.389 -4.402 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -12.970 10.259 -2.720 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -11.569 10.213 -1.668 1.00 1.44 H new ATOM 55 N THR A 5 -8.994 11.043 -1.879 1.00 0.69 N ATOM 56 CA THR A 5 -7.815 11.361 -1.090 1.00 0.74 C ATOM 57 C THR A 5 -7.351 10.174 -0.229 1.00 0.61 C ATOM 58 O THR A 5 -7.625 9.019 -0.555 1.00 0.78 O ATOM 59 CB THR A 5 -8.059 12.589 -0.203 1.00 0.93 C ATOM 60 OG1 THR A 5 -9.108 13.395 -0.754 1.00 1.43 O ATOM 61 CG2 THR A 5 -6.786 13.409 -0.101 1.00 1.09 C ATOM 0 H THR A 5 -9.883 11.267 -1.431 1.00 0.69 H new ATOM 0 HA THR A 5 -7.019 11.588 -1.799 1.00 0.74 H new ATOM 0 HB THR A 5 -8.354 12.253 0.791 1.00 0.93 H new ATOM 0 HG1 THR A 5 -9.976 12.988 -0.548 1.00 1.43 H new ATOM 0 HG21 THR A 5 -6.964 14.280 0.530 1.00 1.09 H new ATOM 0 HG22 THR A 5 -5.995 12.800 0.336 1.00 1.09 H new ATOM 0 HG23 THR A 5 -6.484 13.737 -1.096 1.00 1.09 H new ATOM 69 N LEU A 6 -6.645 10.465 0.874 1.00 0.54 N ATOM 70 CA LEU A 6 -6.121 9.442 1.760 1.00 0.50 C ATOM 71 C LEU A 6 -7.234 8.795 2.569 1.00 0.49 C ATOM 72 O LEU A 6 -7.786 9.410 3.478 1.00 0.56 O ATOM 73 CB LEU A 6 -5.109 10.064 2.726 1.00 0.61 C ATOM 74 CG LEU A 6 -3.736 10.399 2.147 1.00 0.75 C ATOM 75 CD1 LEU A 6 -3.649 11.874 1.790 1.00 1.15 C ATOM 76 CD2 LEU A 6 -2.648 10.031 3.144 1.00 1.07 C ATOM 0 H LEU A 6 -6.427 11.417 1.167 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.641 8.680 1.146 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -5.541 10.979 3.132 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -4.969 9.379 3.562 1.00 0.61 H new ATOM 0 HG LEU A 6 -3.592 9.819 1.236 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -2.663 12.091 1.379 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -4.412 12.115 1.049 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -3.810 12.475 2.685 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -1.672 10.273 2.723 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -2.795 10.593 4.067 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.696 8.963 3.358 1.00 1.07 H new ATOM 88 N THR A 7 -7.566 7.558 2.251 1.00 0.50 N ATOM 89 CA THR A 7 -8.607 6.867 2.989 1.00 0.54 C ATOM 90 C THR A 7 -8.046 6.341 4.295 1.00 0.48 C ATOM 91 O THR A 7 -6.858 6.465 4.552 1.00 0.54 O ATOM 92 CB THR A 7 -9.204 5.701 2.189 1.00 0.62 C ATOM 93 OG1 THR A 7 -8.833 5.819 0.814 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.721 5.660 2.308 1.00 0.83 C ATOM 0 H THR A 7 -7.138 7.018 1.499 1.00 0.50 H new ATOM 0 HA THR A 7 -9.404 7.586 3.181 1.00 0.54 H new ATOM 0 HB THR A 7 -8.808 4.773 2.602 1.00 0.62 H new ATOM 0 HG1 THR A 7 -7.907 5.519 0.698 1.00 0.85 H new ATOM 0 HG21 THR A 7 -11.109 4.822 1.729 1.00 0.83 H new ATOM 0 HG22 THR A 7 -11.001 5.538 3.354 1.00 0.83 H new ATOM 0 HG23 THR A 7 -11.141 6.590 1.926 1.00 0.83 H new ATOM 102 N GLU A 8 -8.888 5.711 5.100 1.00 0.45 N ATOM 103 CA GLU A 8 -8.452 5.182 6.398 1.00 0.44 C ATOM 104 C GLU A 8 -7.102 4.477 6.294 1.00 0.41 C ATOM 105 O GLU A 8 -6.343 4.414 7.260 1.00 0.42 O ATOM 106 CB GLU A 8 -9.471 4.199 6.974 1.00 0.50 C ATOM 107 CG GLU A 8 -10.919 4.563 6.700 1.00 0.52 C ATOM 108 CD GLU A 8 -11.237 5.998 7.075 1.00 1.09 C ATOM 109 OE1 GLU A 8 -11.608 6.237 8.243 1.00 1.94 O ATOM 110 OE2 GLU A 8 -11.113 6.880 6.201 1.00 1.67 O ATOM 0 H GLU A 8 -9.872 5.551 4.886 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.360 6.041 7.062 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.274 3.209 6.563 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.324 4.132 8.052 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -11.135 4.411 5.643 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.571 3.892 7.259 1.00 0.52 H new ATOM 117 N LEU A 9 -6.815 3.954 5.111 1.00 0.41 N ATOM 118 CA LEU A 9 -5.579 3.243 4.861 1.00 0.40 C ATOM 119 C LEU A 9 -4.349 4.107 5.113 1.00 0.38 C ATOM 120 O LEU A 9 -3.274 3.581 5.403 1.00 0.39 O ATOM 121 CB LEU A 9 -5.586 2.764 3.418 1.00 0.45 C ATOM 122 CG LEU A 9 -6.904 2.147 2.944 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.693 1.351 1.669 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.529 1.279 4.031 1.00 0.92 C ATOM 0 H LEU A 9 -7.433 4.013 4.302 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.521 2.402 5.552 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -5.344 3.607 2.771 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.792 2.028 3.292 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.598 2.959 2.729 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -7.641 0.920 1.348 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -6.310 2.009 0.889 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.975 0.552 1.854 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -8.464 0.854 3.665 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.843 0.474 4.293 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.728 1.888 4.913 1.00 0.92 H new ATOM 136 N GLU A 10 -4.490 5.430 5.006 1.00 0.38 N ATOM 137 CA GLU A 10 -3.350 6.314 5.240 1.00 0.39 C ATOM 138 C GLU A 10 -2.754 6.016 6.607 1.00 0.38 C ATOM 139 O GLU A 10 -1.542 6.051 6.790 1.00 0.40 O ATOM 140 CB GLU A 10 -3.748 7.783 5.147 1.00 0.46 C ATOM 141 CG GLU A 10 -5.125 8.075 5.695 1.00 0.45 C ATOM 142 CD GLU A 10 -5.139 9.244 6.660 1.00 0.56 C ATOM 143 OE1 GLU A 10 -4.719 9.058 7.822 1.00 1.27 O ATOM 144 OE2 GLU A 10 -5.568 10.344 6.255 1.00 1.16 O ATOM 0 H GLU A 10 -5.361 5.903 4.765 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.607 6.128 4.464 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.017 8.383 5.688 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.708 8.096 4.104 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.803 8.285 4.868 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.505 7.188 6.201 1.00 0.45 H new ATOM 151 N ALA A 11 -3.624 5.715 7.569 1.00 0.39 N ATOM 152 CA ALA A 11 -3.175 5.370 8.910 1.00 0.39 C ATOM 153 C ALA A 11 -2.192 4.217 8.824 1.00 0.36 C ATOM 154 O ALA A 11 -1.249 4.118 9.610 1.00 0.39 O ATOM 155 CB ALA A 11 -4.355 4.998 9.794 1.00 0.42 C ATOM 0 H ALA A 11 -4.636 5.704 7.443 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.683 6.234 9.357 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -3.996 4.744 10.791 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.041 5.842 9.859 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.874 4.141 9.366 1.00 0.42 H new ATOM 161 N ALA A 12 -2.429 3.346 7.850 1.00 0.33 N ATOM 162 CA ALA A 12 -1.561 2.207 7.616 1.00 0.33 C ATOM 163 C ALA A 12 -0.235 2.682 7.046 1.00 0.33 C ATOM 164 O ALA A 12 0.804 2.057 7.252 1.00 0.34 O ATOM 165 CB ALA A 12 -2.227 1.214 6.675 1.00 0.34 C ATOM 0 H ALA A 12 -3.220 3.411 7.209 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.375 1.701 8.563 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.562 0.366 6.511 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -3.160 0.863 7.117 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.437 1.700 5.722 1.00 0.34 H new ATOM 171 N ILE A 13 -0.284 3.800 6.326 1.00 0.36 N ATOM 172 CA ILE A 13 0.914 4.376 5.742 1.00 0.40 C ATOM 173 C ILE A 13 1.959 4.608 6.835 1.00 0.39 C ATOM 174 O ILE A 13 3.162 4.581 6.581 1.00 0.42 O ATOM 175 CB ILE A 13 0.594 5.696 4.973 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.466 5.797 3.722 1.00 0.90 C ATOM 177 CG2 ILE A 13 0.769 6.947 5.839 1.00 0.99 C ATOM 178 CD1 ILE A 13 2.947 5.830 4.026 1.00 2.05 C ATOM 0 H ILE A 13 -1.140 4.321 6.136 1.00 0.36 H new ATOM 0 HA ILE A 13 1.319 3.674 5.013 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.458 5.652 4.690 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.255 4.949 3.071 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.195 6.697 3.171 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.532 7.833 5.250 1.00 0.99 H new ATOM 0 HG22 ILE A 13 0.099 6.892 6.697 1.00 0.99 H new ATOM 0 HG23 ILE A 13 1.800 7.007 6.187 1.00 0.99 H new ATOM 0 HD11 ILE A 13 3.508 5.902 3.094 1.00 2.05 H new ATOM 0 HD12 ILE A 13 3.171 6.694 4.652 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.231 4.918 4.551 1.00 2.05 H new ATOM 190 N GLU A 14 1.468 4.833 8.057 1.00 0.39 N ATOM 191 CA GLU A 14 2.325 5.075 9.211 1.00 0.42 C ATOM 192 C GLU A 14 3.192 3.861 9.526 1.00 0.38 C ATOM 193 O GLU A 14 4.358 4.005 9.897 1.00 0.46 O ATOM 194 CB GLU A 14 1.477 5.439 10.430 1.00 0.46 C ATOM 195 CG GLU A 14 0.773 6.781 10.305 1.00 0.79 C ATOM 196 CD GLU A 14 1.744 7.937 10.173 1.00 1.46 C ATOM 197 OE1 GLU A 14 2.211 8.443 11.215 1.00 2.25 O ATOM 198 OE2 GLU A 14 2.039 8.337 9.027 1.00 2.02 O ATOM 0 H GLU A 14 0.470 4.852 8.269 1.00 0.39 H new ATOM 0 HA GLU A 14 2.985 5.908 8.967 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.731 4.660 10.588 1.00 0.46 H new ATOM 0 HB3 GLU A 14 2.115 5.454 11.314 1.00 0.46 H new ATOM 0 HG2 GLU A 14 0.115 6.763 9.436 1.00 0.79 H new ATOM 0 HG3 GLU A 14 0.142 6.939 11.180 1.00 0.79 H new ATOM 205 N THR A 15 2.628 2.665 9.387 1.00 0.30 N ATOM 206 CA THR A 15 3.387 1.450 9.657 1.00 0.28 C ATOM 207 C THR A 15 4.457 1.262 8.595 1.00 0.29 C ATOM 208 O THR A 15 5.653 1.248 8.883 1.00 0.35 O ATOM 209 CB THR A 15 2.487 0.201 9.675 1.00 0.28 C ATOM 210 OG1 THR A 15 1.450 0.346 10.652 1.00 0.29 O ATOM 211 CG2 THR A 15 3.303 -1.046 9.979 1.00 0.32 C ATOM 0 H THR A 15 1.663 2.512 9.094 1.00 0.30 H new ATOM 0 HA THR A 15 3.840 1.565 10.642 1.00 0.28 H new ATOM 0 HB THR A 15 2.037 0.096 8.688 1.00 0.28 H new ATOM 0 HG1 THR A 15 0.895 -0.461 10.662 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.647 -1.917 9.987 1.00 0.32 H new ATOM 0 HG22 THR A 15 4.069 -1.175 9.214 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.778 -0.941 10.954 1.00 0.32 H new ATOM 219 N VAL A 16 4.004 1.131 7.359 1.00 0.27 N ATOM 220 CA VAL A 16 4.886 0.949 6.220 1.00 0.28 C ATOM 221 C VAL A 16 5.983 2.008 6.187 1.00 0.30 C ATOM 222 O VAL A 16 7.127 1.716 5.840 1.00 0.36 O ATOM 223 CB VAL A 16 4.077 1.019 4.916 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.323 2.333 4.844 1.00 0.33 C ATOM 225 CG2 VAL A 16 4.976 0.854 3.700 1.00 0.33 C ATOM 0 H VAL A 16 3.013 1.148 7.118 1.00 0.27 H new ATOM 0 HA VAL A 16 5.355 -0.030 6.317 1.00 0.28 H new ATOM 0 HB VAL A 16 3.361 0.197 4.914 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.752 2.375 3.916 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.643 2.409 5.692 1.00 0.33 H new ATOM 0 HG13 VAL A 16 4.031 3.161 4.871 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.374 0.908 2.793 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.722 1.649 3.689 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.477 -0.113 3.746 1.00 0.33 H new ATOM 235 N VAL A 17 5.633 3.235 6.550 1.00 0.31 N ATOM 236 CA VAL A 17 6.598 4.326 6.538 1.00 0.33 C ATOM 237 C VAL A 17 7.494 4.295 7.775 1.00 0.30 C ATOM 238 O VAL A 17 8.689 4.577 7.699 1.00 0.32 O ATOM 239 CB VAL A 17 5.906 5.700 6.446 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.170 6.031 7.737 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.919 6.784 6.110 1.00 0.50 C ATOM 0 H VAL A 17 4.696 3.498 6.854 1.00 0.31 H new ATOM 0 HA VAL A 17 7.213 4.183 5.650 1.00 0.33 H new ATOM 0 HB VAL A 17 5.169 5.655 5.644 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.691 7.006 7.643 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.412 5.272 7.929 1.00 0.45 H new ATOM 0 HG13 VAL A 17 5.879 6.053 8.565 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.414 7.748 6.049 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.682 6.823 6.888 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.388 6.559 5.152 1.00 0.50 H new ATOM 251 N SER A 18 6.906 3.962 8.917 1.00 0.33 N ATOM 252 CA SER A 18 7.651 3.906 10.167 1.00 0.40 C ATOM 253 C SER A 18 8.430 2.599 10.313 1.00 0.44 C ATOM 254 O SER A 18 9.234 2.453 11.229 1.00 0.59 O ATOM 255 CB SER A 18 6.704 4.083 11.355 1.00 0.51 C ATOM 256 OG SER A 18 6.083 5.357 11.329 1.00 1.32 O ATOM 0 H SER A 18 5.917 3.727 9.003 1.00 0.33 H new ATOM 0 HA SER A 18 8.374 4.722 10.151 1.00 0.40 H new ATOM 0 HB2 SER A 18 5.942 3.304 11.336 1.00 0.51 H new ATOM 0 HB3 SER A 18 7.258 3.964 12.286 1.00 0.51 H new ATOM 0 HG SER A 18 5.264 5.311 10.793 1.00 1.32 H new ATOM 262 N THR A 19 8.150 1.628 9.457 1.00 0.37 N ATOM 263 CA THR A 19 8.858 0.351 9.513 1.00 0.44 C ATOM 264 C THR A 19 10.176 0.331 8.719 1.00 0.46 C ATOM 265 O THR A 19 11.246 0.630 9.247 1.00 0.54 O ATOM 266 CB THR A 19 7.963 -0.825 9.062 1.00 0.45 C ATOM 267 OG1 THR A 19 7.468 -0.607 7.732 1.00 0.42 O ATOM 268 CG2 THR A 19 6.796 -1.015 10.023 1.00 0.49 C ATOM 0 H THR A 19 7.446 1.694 8.722 1.00 0.37 H new ATOM 0 HA THR A 19 9.116 0.227 10.565 1.00 0.44 H new ATOM 0 HB THR A 19 8.572 -1.729 9.066 1.00 0.45 H new ATOM 0 HG1 THR A 19 6.801 0.111 7.745 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.179 -1.848 9.686 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.178 -1.227 11.022 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.195 -0.106 10.050 1.00 0.49 H new ATOM 276 N PHE A 20 10.063 -0.029 7.442 1.00 0.45 N ATOM 277 CA PHE A 20 11.197 -0.178 6.529 1.00 0.54 C ATOM 278 C PHE A 20 11.624 1.143 5.942 1.00 0.52 C ATOM 279 O PHE A 20 12.813 1.406 5.763 1.00 0.64 O ATOM 280 CB PHE A 20 10.792 -1.152 5.415 1.00 0.60 C ATOM 281 CG PHE A 20 11.690 -1.164 4.207 1.00 0.72 C ATOM 282 CD1 PHE A 20 13.055 -1.351 4.332 1.00 1.26 C ATOM 283 CD2 PHE A 20 11.155 -1.006 2.939 1.00 1.60 C ATOM 284 CE1 PHE A 20 13.865 -1.382 3.221 1.00 1.37 C ATOM 285 CE2 PHE A 20 11.962 -1.031 1.826 1.00 1.77 C ATOM 286 CZ PHE A 20 13.317 -1.223 1.967 1.00 1.18 C ATOM 0 H PHE A 20 9.164 -0.229 7.004 1.00 0.45 H new ATOM 0 HA PHE A 20 12.051 -0.566 7.085 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.758 -2.159 5.831 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.780 -0.907 5.092 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.489 -1.474 5.313 1.00 1.26 H new ATOM 0 HD2 PHE A 20 10.091 -0.861 2.823 1.00 1.60 H new ATOM 0 HE1 PHE A 20 14.929 -1.531 3.331 1.00 1.37 H new ATOM 0 HE2 PHE A 20 11.533 -0.900 0.843 1.00 1.77 H new ATOM 0 HZ PHE A 20 13.952 -1.249 1.094 1.00 1.18 H new ATOM 296 N PHE A 21 10.648 1.969 5.648 1.00 0.44 N ATOM 297 CA PHE A 21 10.914 3.255 5.062 1.00 0.47 C ATOM 298 C PHE A 21 11.757 4.098 5.998 1.00 0.49 C ATOM 299 O PHE A 21 12.331 5.102 5.594 1.00 0.62 O ATOM 300 CB PHE A 21 9.597 3.948 4.728 1.00 0.48 C ATOM 301 CG PHE A 21 8.744 3.213 3.712 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.153 1.995 3.181 1.00 1.39 C ATOM 303 CD2 PHE A 21 7.523 3.737 3.296 1.00 1.16 C ATOM 304 CE1 PHE A 21 8.366 1.321 2.266 1.00 1.44 C ATOM 305 CE2 PHE A 21 6.736 3.063 2.379 1.00 1.13 C ATOM 306 CZ PHE A 21 7.159 1.856 1.866 1.00 0.54 C ATOM 0 H PHE A 21 9.660 1.770 5.807 1.00 0.44 H new ATOM 0 HA PHE A 21 11.478 3.122 4.139 1.00 0.47 H new ATOM 0 HB2 PHE A 21 9.022 4.072 5.646 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.812 4.947 4.349 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.097 1.570 3.487 1.00 1.39 H new ATOM 0 HD2 PHE A 21 7.186 4.682 3.694 1.00 1.16 H new ATOM 0 HE1 PHE A 21 8.696 0.375 1.864 1.00 1.44 H new ATOM 0 HE2 PHE A 21 5.791 3.482 2.066 1.00 1.13 H new ATOM 0 HZ PHE A 21 6.545 1.329 1.151 1.00 0.54 H new ATOM 316 N THR A 22 11.843 3.695 7.255 1.00 0.47 N ATOM 317 CA THR A 22 12.663 4.442 8.193 1.00 0.54 C ATOM 318 C THR A 22 14.131 4.372 7.796 1.00 0.49 C ATOM 319 O THR A 22 14.951 5.140 8.297 1.00 0.54 O ATOM 320 CB THR A 22 12.516 3.922 9.618 1.00 0.66 C ATOM 321 OG1 THR A 22 13.019 2.598 9.690 1.00 0.66 O ATOM 322 CG2 THR A 22 11.070 3.969 10.043 1.00 0.81 C ATOM 0 H THR A 22 11.370 2.878 7.642 1.00 0.47 H new ATOM 0 HA THR A 22 12.315 5.475 8.160 1.00 0.54 H new ATOM 0 HB THR A 22 13.088 4.554 10.297 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.341 1.972 9.361 1.00 0.66 H new ATOM 0 HG21 THR A 22 10.978 3.595 11.063 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.711 4.997 10.000 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.474 3.349 9.374 1.00 0.81 H new ATOM 330 N PHE A 23 14.468 3.444 6.893 1.00 0.49 N ATOM 331 CA PHE A 23 15.851 3.301 6.467 1.00 0.51 C ATOM 332 C PHE A 23 16.303 4.536 5.687 1.00 0.44 C ATOM 333 O PHE A 23 17.493 4.724 5.441 1.00 0.45 O ATOM 334 CB PHE A 23 16.054 1.961 5.723 1.00 0.68 C ATOM 335 CG PHE A 23 16.175 1.980 4.226 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.228 2.609 3.576 1.00 1.46 C ATOM 337 CD2 PHE A 23 15.259 1.280 3.474 1.00 1.47 C ATOM 338 CE1 PHE A 23 17.353 2.534 2.205 1.00 1.93 C ATOM 339 CE2 PHE A 23 15.367 1.215 2.110 1.00 1.88 C ATOM 340 CZ PHE A 23 16.420 1.838 1.472 1.00 1.82 C ATOM 0 H PHE A 23 13.813 2.797 6.455 1.00 0.49 H new ATOM 0 HA PHE A 23 16.505 3.252 7.338 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.955 1.494 6.122 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.218 1.310 5.979 1.00 0.68 H new ATOM 0 HD1 PHE A 23 17.956 3.163 4.150 1.00 1.46 H new ATOM 0 HD2 PHE A 23 14.442 0.774 3.967 1.00 1.47 H new ATOM 0 HE1 PHE A 23 18.180 3.020 1.709 1.00 1.93 H new ATOM 0 HE2 PHE A 23 14.629 0.677 1.534 1.00 1.88 H new ATOM 0 HZ PHE A 23 16.512 1.779 0.398 1.00 1.82 H new ATOM 350 N ALA A 24 15.350 5.421 5.355 1.00 0.50 N ATOM 351 CA ALA A 24 15.665 6.667 4.656 1.00 0.58 C ATOM 352 C ALA A 24 16.873 7.322 5.292 1.00 0.60 C ATOM 353 O ALA A 24 17.745 7.873 4.619 1.00 0.65 O ATOM 354 CB ALA A 24 14.486 7.629 4.726 1.00 0.71 C ATOM 0 H ALA A 24 14.359 5.293 5.561 1.00 0.50 H new ATOM 0 HA ALA A 24 15.877 6.432 3.613 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.737 8.551 4.201 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.614 7.171 4.258 1.00 0.71 H new ATOM 0 HB3 ALA A 24 14.262 7.855 5.769 1.00 0.71 H new ATOM 360 N GLY A 25 16.895 7.242 6.612 1.00 0.68 N ATOM 361 CA GLY A 25 17.976 7.799 7.397 1.00 0.81 C ATOM 362 C GLY A 25 19.344 7.588 6.762 1.00 0.71 C ATOM 363 O GLY A 25 20.253 8.398 6.949 1.00 0.80 O ATOM 0 H GLY A 25 16.166 6.791 7.165 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.806 8.867 7.533 1.00 0.81 H new ATOM 0 HA3 GLY A 25 17.968 7.346 8.388 1.00 0.81 H new ATOM 367 N ARG A 26 19.487 6.500 6.007 1.00 0.60 N ATOM 368 CA ARG A 26 20.747 6.192 5.332 1.00 0.59 C ATOM 369 C ARG A 26 21.273 7.408 4.584 1.00 0.57 C ATOM 370 O ARG A 26 22.465 7.714 4.629 1.00 0.71 O ATOM 371 CB ARG A 26 20.553 5.043 4.344 1.00 0.61 C ATOM 372 CG ARG A 26 20.248 3.709 4.993 1.00 1.17 C ATOM 373 CD ARG A 26 21.481 3.104 5.638 1.00 0.97 C ATOM 374 NE ARG A 26 21.883 3.807 6.853 1.00 1.55 N ATOM 375 CZ ARG A 26 23.084 3.683 7.411 1.00 1.95 C ATOM 376 NH1 ARG A 26 23.998 2.898 6.857 1.00 2.01 N ATOM 377 NH2 ARG A 26 23.370 4.342 8.526 1.00 2.82 N ATOM 0 H ARG A 26 18.746 5.817 5.847 1.00 0.60 H new ATOM 0 HA ARG A 26 21.471 5.902 6.094 1.00 0.59 H new ATOM 0 HB2 ARG A 26 19.740 5.297 3.664 1.00 0.61 H new ATOM 0 HB3 ARG A 26 21.455 4.942 3.740 1.00 0.61 H new ATOM 0 HG2 ARG A 26 19.471 3.840 5.746 1.00 1.17 H new ATOM 0 HG3 ARG A 26 19.854 3.022 4.244 1.00 1.17 H new ATOM 0 HD2 ARG A 26 21.286 2.058 5.876 1.00 0.97 H new ATOM 0 HD3 ARG A 26 22.305 3.120 4.924 1.00 0.97 H new ATOM 0 HE ARG A 26 21.206 4.427 7.298 1.00 1.55 H new ATOM 0 HH11 ARG A 26 23.781 2.388 6.001 1.00 2.01 H new ATOM 0 HH12 ARG A 26 24.918 2.805 7.287 1.00 2.01 H new ATOM 0 HH21 ARG A 26 22.669 4.945 8.956 1.00 2.82 H new ATOM 0 HH22 ARG A 26 24.291 4.246 8.953 1.00 2.82 H new ATOM 391 N GLU A 27 20.372 8.098 3.899 1.00 0.50 N ATOM 392 CA GLU A 27 20.737 9.287 3.143 1.00 0.58 C ATOM 393 C GLU A 27 20.682 10.516 4.042 1.00 0.80 C ATOM 394 O GLU A 27 19.654 10.810 4.653 1.00 1.27 O ATOM 395 CB GLU A 27 19.800 9.464 1.946 1.00 0.98 C ATOM 396 CG GLU A 27 19.777 8.267 1.006 1.00 0.85 C ATOM 397 CD GLU A 27 21.130 7.983 0.384 1.00 1.09 C ATOM 398 OE1 GLU A 27 21.910 7.213 0.984 1.00 1.78 O ATOM 399 OE2 GLU A 27 21.410 8.531 -0.703 1.00 1.63 O ATOM 0 H GLU A 27 19.383 7.855 3.851 1.00 0.50 H new ATOM 0 HA GLU A 27 21.755 9.168 2.772 1.00 0.58 H new ATOM 0 HB2 GLU A 27 18.789 9.648 2.311 1.00 0.98 H new ATOM 0 HB3 GLU A 27 20.103 10.349 1.386 1.00 0.98 H new ATOM 0 HG2 GLU A 27 19.442 7.386 1.554 1.00 0.85 H new ATOM 0 HG3 GLU A 27 19.049 8.446 0.215 1.00 0.85 H new ATOM 406 N GLY A 28 21.802 11.231 4.118 1.00 1.33 N ATOM 407 CA GLY A 28 21.889 12.415 4.958 1.00 1.88 C ATOM 408 C GLY A 28 20.647 13.281 4.918 1.00 1.36 C ATOM 409 O GLY A 28 19.803 13.209 5.811 1.00 1.58 O ATOM 0 H GLY A 28 22.657 11.009 3.609 1.00 1.33 H new ATOM 0 HA2 GLY A 28 22.074 12.107 5.987 1.00 1.88 H new ATOM 0 HA3 GLY A 28 22.747 13.010 4.645 1.00 1.88 H new ATOM 413 N ARG A 29 20.536 14.099 3.878 1.00 1.16 N ATOM 414 CA ARG A 29 19.398 15.001 3.725 1.00 1.06 C ATOM 415 C ARG A 29 18.082 14.309 4.075 1.00 1.13 C ATOM 416 O ARG A 29 18.004 13.081 4.111 1.00 1.73 O ATOM 417 CB ARG A 29 19.340 15.534 2.291 1.00 1.38 C ATOM 418 CG ARG A 29 18.235 16.552 2.050 1.00 1.78 C ATOM 419 CD ARG A 29 18.431 17.806 2.889 1.00 2.37 C ATOM 420 NE ARG A 29 17.405 18.811 2.619 1.00 2.89 N ATOM 421 CZ ARG A 29 17.433 20.043 3.116 1.00 3.59 C ATOM 422 NH1 ARG A 29 18.421 20.413 3.918 1.00 3.91 N ATOM 423 NH2 ARG A 29 16.470 20.904 2.815 1.00 4.31 N ATOM 0 H ARG A 29 21.222 14.157 3.125 1.00 1.16 H new ATOM 0 HA ARG A 29 19.536 15.831 4.418 1.00 1.06 H new ATOM 0 HB2 ARG A 29 20.299 15.990 2.045 1.00 1.38 H new ATOM 0 HB3 ARG A 29 19.202 14.695 1.609 1.00 1.38 H new ATOM 0 HG2 ARG A 29 18.212 16.821 0.994 1.00 1.78 H new ATOM 0 HG3 ARG A 29 17.270 16.104 2.286 1.00 1.78 H new ATOM 0 HD2 ARG A 29 18.410 17.542 3.946 1.00 2.37 H new ATOM 0 HD3 ARG A 29 19.415 18.228 2.685 1.00 2.37 H new ATOM 0 HE ARG A 29 16.624 18.552 2.016 1.00 2.89 H new ATOM 0 HH11 ARG A 29 19.161 19.752 4.154 1.00 3.91 H new ATOM 0 HH12 ARG A 29 18.442 21.359 4.299 1.00 3.91 H new ATOM 0 HH21 ARG A 29 15.706 20.621 2.201 1.00 4.31 H new ATOM 0 HH22 ARG A 29 16.493 21.849 3.197 1.00 4.31 H new ATOM 437 N LYS A 30 17.052 15.108 4.329 1.00 1.04 N ATOM 438 CA LYS A 30 15.741 14.578 4.665 1.00 1.47 C ATOM 439 C LYS A 30 14.858 14.574 3.427 1.00 1.32 C ATOM 440 O LYS A 30 13.739 15.088 3.441 1.00 1.64 O ATOM 441 CB LYS A 30 15.088 15.416 5.765 1.00 2.03 C ATOM 442 CG LYS A 30 16.018 15.727 6.926 1.00 2.65 C ATOM 443 CD LYS A 30 16.571 14.457 7.557 1.00 3.51 C ATOM 444 CE LYS A 30 15.464 13.595 8.141 1.00 4.01 C ATOM 445 NZ LYS A 30 15.998 12.350 8.760 1.00 4.77 N ATOM 0 H LYS A 30 17.102 16.127 4.308 1.00 1.04 H new ATOM 0 HA LYS A 30 15.859 13.558 5.030 1.00 1.47 H new ATOM 0 HB2 LYS A 30 14.732 16.352 5.334 1.00 2.03 H new ATOM 0 HB3 LYS A 30 14.213 14.886 6.143 1.00 2.03 H new ATOM 0 HG2 LYS A 30 16.842 16.349 6.576 1.00 2.65 H new ATOM 0 HG3 LYS A 30 15.481 16.304 7.679 1.00 2.65 H new ATOM 0 HD2 LYS A 30 17.120 13.887 6.808 1.00 3.51 H new ATOM 0 HD3 LYS A 30 17.281 14.719 8.341 1.00 3.51 H new ATOM 0 HE2 LYS A 30 14.916 14.166 8.890 1.00 4.01 H new ATOM 0 HE3 LYS A 30 14.754 13.335 7.356 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 15.212 11.790 9.147 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 16.500 11.792 8.040 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 16.656 12.598 9.526 1.00 4.77 H new ATOM 459 N GLY A 31 15.384 13.996 2.356 1.00 0.95 N ATOM 460 CA GLY A 31 14.647 13.907 1.111 1.00 0.88 C ATOM 461 C GLY A 31 14.026 12.570 0.967 1.00 0.80 C ATOM 462 O GLY A 31 12.841 12.431 1.161 1.00 0.85 O ATOM 0 H GLY A 31 16.317 13.584 2.328 1.00 0.95 H new ATOM 0 HA2 GLY A 31 13.876 14.677 1.083 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.316 14.095 0.272 1.00 0.88 H new ATOM 466 N SER A 32 14.799 11.577 0.614 1.00 0.74 N ATOM 467 CA SER A 32 14.230 10.264 0.465 1.00 0.71 C ATOM 468 C SER A 32 15.141 9.174 0.952 1.00 0.70 C ATOM 469 O SER A 32 16.272 9.397 1.383 1.00 0.74 O ATOM 470 CB SER A 32 13.862 9.993 -0.984 1.00 0.68 C ATOM 471 OG SER A 32 14.915 10.371 -1.853 1.00 1.10 O ATOM 0 H SER A 32 15.799 11.647 0.428 1.00 0.74 H new ATOM 0 HA SER A 32 13.334 10.254 1.085 1.00 0.71 H new ATOM 0 HB2 SER A 32 13.640 8.934 -1.115 1.00 0.68 H new ATOM 0 HB3 SER A 32 12.957 10.543 -1.242 1.00 0.68 H new ATOM 0 HG SER A 32 15.324 9.569 -2.240 1.00 1.10 H new ATOM 477 N LEU A 33 14.596 7.991 0.865 1.00 0.72 N ATOM 478 CA LEU A 33 15.272 6.776 1.231 1.00 0.74 C ATOM 479 C LEU A 33 15.815 6.154 -0.030 1.00 0.56 C ATOM 480 O LEU A 33 15.294 6.437 -1.103 1.00 0.52 O ATOM 481 CB LEU A 33 14.275 5.876 1.898 1.00 0.99 C ATOM 482 CG LEU A 33 14.647 4.415 2.045 1.00 1.19 C ATOM 483 CD1 LEU A 33 13.892 3.801 3.214 1.00 1.93 C ATOM 484 CD2 LEU A 33 14.326 3.687 0.758 1.00 1.69 C ATOM 0 H LEU A 33 13.645 7.842 0.529 1.00 0.72 H new ATOM 0 HA LEU A 33 16.098 6.955 1.920 1.00 0.74 H new ATOM 0 HB2 LEU A 33 14.073 6.274 2.892 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.342 5.932 1.337 1.00 0.99 H new ATOM 0 HG LEU A 33 15.715 4.326 2.245 1.00 1.19 H new ATOM 0 HD11 LEU A 33 14.166 2.750 3.312 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.149 4.330 4.131 1.00 1.93 H new ATOM 0 HD13 LEU A 33 12.819 3.882 3.037 1.00 1.93 H new ATOM 0 HD21 LEU A 33 14.592 2.635 0.859 1.00 1.69 H new ATOM 0 HD22 LEU A 33 13.260 3.773 0.547 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.894 4.128 -0.061 1.00 1.69 H new ATOM 496 N ASN A 34 16.851 5.329 0.048 1.00 0.57 N ATOM 497 CA ASN A 34 17.423 4.823 -1.184 1.00 0.47 C ATOM 498 C ASN A 34 17.335 3.302 -1.333 1.00 0.41 C ATOM 499 O ASN A 34 16.241 2.758 -1.454 1.00 0.56 O ATOM 500 CB ASN A 34 18.849 5.350 -1.290 1.00 0.56 C ATOM 501 CG ASN A 34 19.443 5.166 -2.674 1.00 1.37 C ATOM 502 OD1 ASN A 34 18.728 5.174 -3.676 1.00 2.12 O ATOM 503 ND2 ASN A 34 20.760 4.996 -2.735 1.00 2.11 N ATOM 0 H ASN A 34 17.293 5.010 0.910 1.00 0.57 H new ATOM 0 HA ASN A 34 16.830 5.189 -2.022 1.00 0.47 H new ATOM 0 HB2 ASN A 34 18.860 6.409 -1.033 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.476 4.838 -0.560 1.00 0.56 H new ATOM 0 HD21 ASN A 34 21.216 4.865 -3.638 1.00 2.11 H new ATOM 0 HD22 ASN A 34 21.314 4.996 -1.879 1.00 2.11 H new ATOM 510 N ILE A 35 18.471 2.619 -1.403 1.00 0.54 N ATOM 511 CA ILE A 35 18.467 1.186 -1.557 1.00 0.54 C ATOM 512 C ILE A 35 19.589 0.534 -0.775 1.00 0.56 C ATOM 513 O ILE A 35 20.084 -0.528 -1.147 1.00 0.63 O ATOM 514 CB ILE A 35 18.550 0.782 -3.039 1.00 0.60 C ATOM 515 CG1 ILE A 35 19.468 1.739 -3.806 1.00 0.70 C ATOM 516 CG2 ILE A 35 17.164 0.764 -3.660 1.00 0.66 C ATOM 517 CD1 ILE A 35 20.870 1.809 -3.246 1.00 1.05 C ATOM 0 H ILE A 35 19.399 3.040 -1.355 1.00 0.54 H new ATOM 0 HA ILE A 35 17.520 0.828 -1.153 1.00 0.54 H new ATOM 0 HB ILE A 35 18.971 -0.222 -3.101 1.00 0.60 H new ATOM 0 HG12 ILE A 35 19.517 1.425 -4.849 1.00 0.70 H new ATOM 0 HG13 ILE A 35 19.030 2.737 -3.794 1.00 0.70 H new ATOM 0 HG21 ILE A 35 17.239 0.476 -4.709 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.537 0.046 -3.131 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.720 1.757 -3.587 1.00 0.66 H new ATOM 0 HD11 ILE A 35 21.464 2.505 -3.838 1.00 1.05 H new ATOM 0 HD12 ILE A 35 20.832 2.152 -2.212 1.00 1.05 H new ATOM 0 HD13 ILE A 35 21.326 0.820 -3.283 1.00 1.05 H new ATOM 529 N ASN A 36 19.986 1.178 0.307 1.00 0.59 N ATOM 530 CA ASN A 36 21.036 0.650 1.154 1.00 0.63 C ATOM 531 C ASN A 36 20.448 -0.396 2.066 1.00 0.59 C ATOM 532 O ASN A 36 20.798 -1.572 1.983 1.00 0.59 O ATOM 533 CB ASN A 36 21.697 1.763 1.964 1.00 0.70 C ATOM 534 CG ASN A 36 22.923 1.282 2.714 1.00 1.33 C ATOM 535 OD1 ASN A 36 22.726 0.839 3.948 1.00 2.15 O flip ATOM 536 ND2 ASN A 36 24.036 1.308 2.189 1.00 1.89 N flip ATOM 0 H ASN A 36 19.596 2.068 0.619 1.00 0.59 H new ATOM 0 HA ASN A 36 21.808 0.198 0.531 1.00 0.63 H new ATOM 0 HB2 ASN A 36 21.979 2.576 1.296 1.00 0.70 H new ATOM 0 HB3 ASN A 36 20.976 2.169 2.674 1.00 0.70 H new ATOM 0 HD21 ASN A 36 24.143 1.657 1.237 1.00 1.89 H new ATOM 0 HD22 ASN A 36 24.852 0.980 2.706 1.00 1.89 H new ATOM 543 N GLU A 37 19.554 0.022 2.946 1.00 0.57 N ATOM 544 CA GLU A 37 18.919 -0.941 3.818 1.00 0.56 C ATOM 545 C GLU A 37 17.880 -1.713 3.040 1.00 0.50 C ATOM 546 O GLU A 37 17.463 -2.787 3.465 1.00 0.52 O ATOM 547 CB GLU A 37 18.312 -0.301 5.044 1.00 0.66 C ATOM 548 CG GLU A 37 19.166 0.821 5.576 1.00 0.75 C ATOM 549 CD GLU A 37 19.081 0.974 7.084 1.00 0.76 C ATOM 550 OE1 GLU A 37 19.615 0.101 7.800 1.00 1.29 O ATOM 551 OE2 GLU A 37 18.484 1.968 7.550 1.00 1.40 O ATOM 0 H GLU A 37 19.261 0.991 3.072 1.00 0.57 H new ATOM 0 HA GLU A 37 19.687 -1.624 4.180 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.321 0.082 4.800 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.180 -1.056 5.819 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.204 0.645 5.293 1.00 0.75 H new ATOM 0 HG3 GLU A 37 18.862 1.756 5.105 1.00 0.75 H new ATOM 558 N PHE A 38 17.441 -1.179 1.884 1.00 0.46 N ATOM 559 CA PHE A 38 16.511 -1.911 1.058 1.00 0.42 C ATOM 560 C PHE A 38 17.121 -3.276 0.783 1.00 0.45 C ATOM 561 O PHE A 38 16.424 -4.275 0.639 1.00 0.45 O ATOM 562 CB PHE A 38 16.256 -1.151 -0.244 1.00 0.43 C ATOM 563 CG PHE A 38 15.067 -1.636 -1.020 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.009 -2.934 -1.497 1.00 1.21 C ATOM 565 CD2 PHE A 38 14.005 -0.787 -1.266 1.00 1.30 C ATOM 566 CE1 PHE A 38 13.909 -3.376 -2.208 1.00 1.21 C ATOM 567 CE2 PHE A 38 12.902 -1.219 -1.975 1.00 1.32 C ATOM 568 CZ PHE A 38 12.853 -2.517 -2.446 1.00 0.45 C ATOM 0 H PHE A 38 17.717 -0.266 1.523 1.00 0.46 H new ATOM 0 HA PHE A 38 15.551 -2.027 1.561 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.118 -0.095 -0.013 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.142 -1.227 -0.874 1.00 0.43 H new ATOM 0 HD1 PHE A 38 15.832 -3.609 -1.312 1.00 1.21 H new ATOM 0 HD2 PHE A 38 14.038 0.228 -0.899 1.00 1.30 H new ATOM 0 HE1 PHE A 38 13.875 -4.391 -2.577 1.00 1.21 H new ATOM 0 HE2 PHE A 38 12.080 -0.544 -2.161 1.00 1.32 H new ATOM 0 HZ PHE A 38 11.991 -2.860 -2.999 1.00 0.45 H new ATOM 578 N LYS A 39 18.458 -3.302 0.783 1.00 0.49 N ATOM 579 CA LYS A 39 19.196 -4.528 0.571 1.00 0.53 C ATOM 580 C LYS A 39 18.915 -5.534 1.666 1.00 0.53 C ATOM 581 O LYS A 39 19.288 -6.698 1.576 1.00 0.56 O ATOM 582 CB LYS A 39 20.684 -4.234 0.463 1.00 0.61 C ATOM 583 CG LYS A 39 20.965 -3.069 -0.451 1.00 0.67 C ATOM 584 CD LYS A 39 21.739 -3.497 -1.688 1.00 0.71 C ATOM 585 CE LYS A 39 23.092 -4.091 -1.323 1.00 1.47 C ATOM 586 NZ LYS A 39 23.914 -3.151 -0.512 1.00 1.80 N ATOM 0 H LYS A 39 19.043 -2.479 0.929 1.00 0.49 H new ATOM 0 HA LYS A 39 18.864 -4.970 -0.368 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.084 -4.022 1.454 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.202 -5.118 0.093 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.024 -2.608 -0.752 1.00 0.67 H new ATOM 0 HG3 LYS A 39 21.533 -2.312 0.089 1.00 0.67 H new ATOM 0 HD2 LYS A 39 21.157 -4.230 -2.246 1.00 0.71 H new ATOM 0 HD3 LYS A 39 21.883 -2.638 -2.344 1.00 0.71 H new ATOM 0 HE2 LYS A 39 22.943 -5.016 -0.766 1.00 1.47 H new ATOM 0 HE3 LYS A 39 23.631 -4.351 -2.234 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 24.891 -3.503 -0.457 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 23.909 -2.212 -0.958 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 23.517 -3.081 0.447 1.00 1.80 H new ATOM 600 N GLU A 40 18.322 -5.045 2.724 1.00 0.52 N ATOM 601 CA GLU A 40 17.901 -5.881 3.828 1.00 0.56 C ATOM 602 C GLU A 40 16.536 -6.512 3.493 1.00 0.54 C ATOM 603 O GLU A 40 16.030 -7.350 4.239 1.00 0.60 O ATOM 604 CB GLU A 40 17.835 -5.059 5.132 1.00 0.60 C ATOM 605 CG GLU A 40 16.498 -4.370 5.384 1.00 1.09 C ATOM 606 CD GLU A 40 15.597 -5.165 6.307 1.00 1.91 C ATOM 607 OE1 GLU A 40 15.771 -5.063 7.540 1.00 2.62 O ATOM 608 OE2 GLU A 40 14.715 -5.888 5.797 1.00 2.43 O ATOM 0 H GLU A 40 18.115 -4.054 2.849 1.00 0.52 H new ATOM 0 HA GLU A 40 18.627 -6.679 3.982 1.00 0.56 H new ATOM 0 HB2 GLU A 40 18.053 -5.718 5.972 1.00 0.60 H new ATOM 0 HB3 GLU A 40 18.619 -4.303 5.109 1.00 0.60 H new ATOM 0 HG2 GLU A 40 16.677 -3.385 5.816 1.00 1.09 H new ATOM 0 HG3 GLU A 40 15.990 -4.213 4.433 1.00 1.09 H new ATOM 615 N LEU A 41 15.944 -6.090 2.358 1.00 0.49 N ATOM 616 CA LEU A 41 14.637 -6.587 1.934 1.00 0.50 C ATOM 617 C LEU A 41 14.711 -7.990 1.338 1.00 0.55 C ATOM 618 O LEU A 41 14.615 -8.969 2.067 1.00 0.62 O ATOM 619 CB LEU A 41 13.984 -5.634 0.920 1.00 0.46 C ATOM 620 CG LEU A 41 13.654 -4.224 1.417 1.00 0.44 C ATOM 621 CD1 LEU A 41 12.537 -3.630 0.575 1.00 0.55 C ATOM 622 CD2 LEU A 41 13.282 -4.223 2.894 1.00 0.66 C ATOM 0 H LEU A 41 16.357 -5.406 1.724 1.00 0.49 H new ATOM 0 HA LEU A 41 14.024 -6.635 2.834 1.00 0.50 H new ATOM 0 HB2 LEU A 41 14.648 -5.545 0.060 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.062 -6.094 0.565 1.00 0.46 H new ATOM 0 HG LEU A 41 14.546 -3.606 1.311 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.306 -2.627 0.933 1.00 0.55 H new ATOM 0 HD12 LEU A 41 12.854 -3.580 -0.467 1.00 0.55 H new ATOM 0 HD13 LEU A 41 11.649 -4.257 0.654 1.00 0.55 H new ATOM 0 HD21 LEU A 41 13.054 -3.205 3.211 1.00 0.66 H new ATOM 0 HD22 LEU A 41 12.408 -4.856 3.050 1.00 0.66 H new ATOM 0 HD23 LEU A 41 14.117 -4.607 3.480 1.00 0.66 H new ATOM 634 N ALA A 42 14.886 -8.088 0.010 1.00 0.55 N ATOM 635 CA ALA A 42 14.951 -9.377 -0.672 1.00 0.61 C ATOM 636 C ALA A 42 15.712 -10.411 0.145 1.00 0.67 C ATOM 637 O ALA A 42 15.318 -11.567 0.233 1.00 0.74 O ATOM 638 CB ALA A 42 15.601 -9.202 -2.012 1.00 0.65 C ATOM 0 H ALA A 42 14.985 -7.283 -0.609 1.00 0.55 H new ATOM 0 HA ALA A 42 13.932 -9.744 -0.799 1.00 0.61 H new ATOM 0 HB1 ALA A 42 15.650 -10.164 -2.521 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.017 -8.503 -2.611 1.00 0.65 H new ATOM 0 HB3 ALA A 42 16.610 -8.811 -1.879 1.00 0.65 H new ATOM 644 N THR A 43 16.761 -9.942 0.796 1.00 0.66 N ATOM 645 CA THR A 43 17.629 -10.770 1.596 1.00 0.73 C ATOM 646 C THR A 43 16.897 -11.382 2.783 1.00 0.78 C ATOM 647 O THR A 43 16.923 -12.594 2.988 1.00 0.86 O ATOM 648 CB THR A 43 18.791 -9.914 2.112 1.00 0.72 C ATOM 649 OG1 THR A 43 18.294 -8.635 2.540 1.00 0.66 O ATOM 650 CG2 THR A 43 19.853 -9.721 1.039 1.00 0.75 C ATOM 0 H THR A 43 17.033 -8.959 0.780 1.00 0.66 H new ATOM 0 HA THR A 43 17.991 -11.585 0.970 1.00 0.73 H new ATOM 0 HB THR A 43 19.250 -10.432 2.954 1.00 0.72 H new ATOM 0 HG1 THR A 43 18.930 -7.935 2.284 1.00 0.66 H new ATOM 0 HG21 THR A 43 20.664 -9.110 1.435 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.245 -10.692 0.736 1.00 0.75 H new ATOM 0 HG23 THR A 43 19.412 -9.223 0.176 1.00 0.75 H new ATOM 658 N GLN A 44 16.270 -10.529 3.579 1.00 0.77 N ATOM 659 CA GLN A 44 15.536 -10.962 4.744 1.00 0.85 C ATOM 660 C GLN A 44 14.159 -11.475 4.364 1.00 0.85 C ATOM 661 O GLN A 44 13.646 -12.416 4.971 1.00 0.94 O ATOM 662 CB GLN A 44 15.423 -9.808 5.741 1.00 0.88 C ATOM 663 CG GLN A 44 16.766 -9.208 6.120 1.00 1.54 C ATOM 664 CD GLN A 44 17.668 -10.197 6.829 1.00 2.05 C ATOM 665 OE1 GLN A 44 18.444 -10.914 6.196 1.00 2.54 O ATOM 666 NE2 GLN A 44 17.571 -10.241 8.152 1.00 2.75 N ATOM 0 H GLN A 44 16.259 -9.520 3.430 1.00 0.77 H new ATOM 0 HA GLN A 44 16.079 -11.785 5.210 1.00 0.85 H new ATOM 0 HB2 GLN A 44 14.792 -9.028 5.314 1.00 0.88 H new ATOM 0 HB3 GLN A 44 14.924 -10.163 6.643 1.00 0.88 H new ATOM 0 HG2 GLN A 44 17.265 -8.847 5.221 1.00 1.54 H new ATOM 0 HG3 GLN A 44 16.605 -8.343 6.764 1.00 1.54 H new ATOM 0 HE21 GLN A 44 16.914 -9.629 8.636 1.00 2.75 H new ATOM 0 HE22 GLN A 44 18.153 -10.887 8.685 1.00 2.75 H new ATOM 675 N GLN A 45 13.566 -10.862 3.352 1.00 0.78 N ATOM 676 CA GLN A 45 12.250 -11.279 2.897 1.00 0.83 C ATOM 677 C GLN A 45 12.383 -12.524 2.023 1.00 0.79 C ATOM 678 O GLN A 45 11.388 -13.181 1.713 1.00 0.80 O ATOM 679 CB GLN A 45 11.553 -10.144 2.135 1.00 0.93 C ATOM 680 CG GLN A 45 12.066 -9.971 0.722 1.00 0.97 C ATOM 681 CD GLN A 45 11.776 -8.602 0.126 1.00 1.36 C ATOM 682 OE1 GLN A 45 12.503 -8.128 -0.744 1.00 2.34 O ATOM 683 NE2 GLN A 45 10.715 -7.951 0.576 1.00 1.43 N ATOM 0 H GLN A 45 13.970 -10.082 2.835 1.00 0.78 H new ATOM 0 HA GLN A 45 11.634 -11.521 3.763 1.00 0.83 H new ATOM 0 HB2 GLN A 45 10.481 -10.341 2.104 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.690 -9.211 2.681 1.00 0.93 H new ATOM 0 HG2 GLN A 45 13.143 -10.140 0.713 1.00 0.97 H new ATOM 0 HG3 GLN A 45 11.618 -10.735 0.087 1.00 0.97 H new ATOM 0 HE21 GLN A 45 10.129 -8.369 1.299 1.00 1.43 H new ATOM 0 HE22 GLN A 45 10.483 -7.032 0.200 1.00 1.43 H new ATOM 692 N LEU A 46 13.628 -12.847 1.621 1.00 0.78 N ATOM 693 CA LEU A 46 13.898 -14.023 0.808 1.00 0.78 C ATOM 694 C LEU A 46 13.101 -15.194 1.328 1.00 0.74 C ATOM 695 O LEU A 46 12.137 -15.596 0.691 1.00 0.75 O ATOM 696 CB LEU A 46 15.393 -14.376 0.785 1.00 0.83 C ATOM 697 CG LEU A 46 16.098 -14.206 -0.565 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.524 -14.725 -0.484 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.333 -14.927 -1.665 1.00 1.30 C ATOM 0 H LEU A 46 14.457 -12.300 1.853 1.00 0.78 H new ATOM 0 HA LEU A 46 13.599 -13.795 -0.215 1.00 0.78 H new ATOM 0 HB2 LEU A 46 15.905 -13.756 1.521 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.507 -15.412 1.105 1.00 0.83 H new ATOM 0 HG LEU A 46 16.126 -13.144 -0.807 1.00 1.04 H new ATOM 0 HD11 LEU A 46 18.013 -14.598 -1.450 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.072 -14.167 0.276 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.512 -15.782 -0.220 1.00 1.25 H new ATOM 0 HD21 LEU A 46 15.850 -14.794 -2.615 1.00 1.30 H new ATOM 0 HD22 LEU A 46 15.273 -15.990 -1.430 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.327 -14.515 -1.739 1.00 1.30 H new ATOM 711 N PRO A 47 13.442 -15.752 2.505 1.00 0.78 N ATOM 712 CA PRO A 47 12.670 -16.868 2.996 1.00 0.80 C ATOM 713 C PRO A 47 11.396 -16.420 3.686 1.00 0.77 C ATOM 714 O PRO A 47 11.371 -16.153 4.888 1.00 0.81 O ATOM 715 CB PRO A 47 13.620 -17.473 4.025 1.00 0.90 C ATOM 716 CG PRO A 47 14.370 -16.303 4.565 1.00 0.95 C ATOM 717 CD PRO A 47 14.539 -15.361 3.405 1.00 0.90 C ATOM 0 HA PRO A 47 12.351 -17.544 2.203 1.00 0.80 H new ATOM 0 HB2 PRO A 47 13.075 -17.994 4.812 1.00 0.90 H new ATOM 0 HB3 PRO A 47 14.292 -18.200 3.568 1.00 0.90 H new ATOM 0 HG2 PRO A 47 13.822 -15.828 5.379 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.336 -16.608 4.966 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.456 -14.319 3.715 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.513 -15.476 2.929 1.00 0.90 H new ATOM 725 N HIS A 48 10.344 -16.340 2.894 1.00 0.73 N ATOM 726 CA HIS A 48 9.010 -16.049 3.380 1.00 0.74 C ATOM 727 C HIS A 48 8.235 -17.340 3.520 1.00 0.83 C ATOM 728 O HIS A 48 8.808 -18.429 3.511 1.00 0.91 O ATOM 729 CB HIS A 48 8.261 -15.080 2.458 1.00 0.73 C ATOM 730 CG HIS A 48 7.871 -13.828 3.167 1.00 0.98 C ATOM 731 ND1 HIS A 48 6.769 -13.750 3.990 1.00 1.87 N ATOM 732 CD2 HIS A 48 8.462 -12.613 3.212 1.00 1.34 C ATOM 733 CE1 HIS A 48 6.700 -12.543 4.513 1.00 2.04 C ATOM 734 NE2 HIS A 48 7.716 -11.833 4.057 1.00 1.61 N ATOM 0 H HIS A 48 10.393 -16.477 1.884 1.00 0.73 H new ATOM 0 HA HIS A 48 9.103 -15.563 4.351 1.00 0.74 H new ATOM 0 HB2 HIS A 48 8.890 -14.832 1.603 1.00 0.73 H new ATOM 0 HB3 HIS A 48 7.369 -15.568 2.066 1.00 0.73 H new ATOM 0 HD2 HIS A 48 9.354 -12.313 2.682 1.00 1.34 H new ATOM 0 HE1 HIS A 48 5.942 -12.194 5.198 1.00 2.04 H new ATOM 0 HE2 HIS A 48 7.914 -10.861 4.295 1.00 1.61 H new ATOM 743 N LEU A 49 6.925 -17.213 3.652 1.00 0.88 N ATOM 744 CA LEU A 49 6.064 -18.373 3.644 1.00 1.00 C ATOM 745 C LEU A 49 5.854 -18.701 2.170 1.00 0.98 C ATOM 746 O LEU A 49 6.494 -19.598 1.620 1.00 1.02 O ATOM 747 CB LEU A 49 4.735 -18.090 4.352 1.00 1.10 C ATOM 748 CG LEU A 49 4.829 -17.963 5.873 1.00 1.62 C ATOM 749 CD1 LEU A 49 3.455 -17.705 6.472 1.00 2.02 C ATOM 750 CD2 LEU A 49 5.448 -19.216 6.475 1.00 2.44 C ATOM 0 H LEU A 49 6.441 -16.322 3.765 1.00 0.88 H new ATOM 0 HA LEU A 49 6.507 -19.209 4.185 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.316 -17.168 3.950 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.035 -18.890 4.112 1.00 1.10 H new ATOM 0 HG LEU A 49 5.471 -17.115 6.109 1.00 1.62 H new ATOM 0 HD11 LEU A 49 3.541 -17.617 7.555 1.00 2.02 H new ATOM 0 HD12 LEU A 49 3.048 -16.780 6.064 1.00 2.02 H new ATOM 0 HD13 LEU A 49 2.790 -18.533 6.227 1.00 2.02 H new ATOM 0 HD21 LEU A 49 5.507 -19.108 7.558 1.00 2.44 H new ATOM 0 HD22 LEU A 49 4.831 -20.081 6.230 1.00 2.44 H new ATOM 0 HD23 LEU A 49 6.450 -19.358 6.069 1.00 2.44 H new ATOM 762 N LEU A 50 4.947 -17.957 1.538 1.00 0.98 N ATOM 763 CA LEU A 50 4.699 -18.075 0.104 1.00 1.01 C ATOM 764 C LEU A 50 5.686 -17.177 -0.657 1.00 0.92 C ATOM 765 O LEU A 50 5.287 -16.402 -1.526 1.00 1.01 O ATOM 766 CB LEU A 50 3.260 -17.677 -0.222 1.00 1.11 C ATOM 767 CG LEU A 50 2.840 -17.889 -1.677 1.00 1.60 C ATOM 768 CD1 LEU A 50 2.998 -19.349 -2.071 1.00 1.97 C ATOM 769 CD2 LEU A 50 1.405 -17.430 -1.886 1.00 2.25 C ATOM 0 H LEU A 50 4.367 -17.259 2.004 1.00 0.98 H new ATOM 0 HA LEU A 50 4.844 -19.111 -0.202 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.588 -18.246 0.420 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.125 -16.625 0.029 1.00 1.11 H new ATOM 0 HG LEU A 50 3.490 -17.291 -2.316 1.00 1.60 H new ATOM 0 HD11 LEU A 50 2.694 -19.481 -3.110 1.00 1.97 H new ATOM 0 HD12 LEU A 50 4.041 -19.646 -1.957 1.00 1.97 H new ATOM 0 HD13 LEU A 50 2.372 -19.969 -1.429 1.00 1.97 H new ATOM 0 HD21 LEU A 50 1.121 -17.587 -2.926 1.00 2.25 H new ATOM 0 HD22 LEU A 50 0.742 -18.003 -1.238 1.00 2.25 H new ATOM 0 HD23 LEU A 50 1.323 -16.370 -1.644 1.00 2.25 H new ATOM 781 N LYS A 51 6.973 -17.285 -0.325 1.00 0.85 N ATOM 782 CA LYS A 51 8.013 -16.458 -0.931 1.00 0.81 C ATOM 783 C LYS A 51 7.806 -16.235 -2.421 1.00 0.88 C ATOM 784 O LYS A 51 7.201 -17.047 -3.120 1.00 1.03 O ATOM 785 CB LYS A 51 9.389 -17.086 -0.697 1.00 0.97 C ATOM 786 CG LYS A 51 10.535 -16.361 -1.411 1.00 1.23 C ATOM 787 CD LYS A 51 11.841 -17.166 -1.439 1.00 2.11 C ATOM 788 CE LYS A 51 11.984 -18.122 -0.260 1.00 2.68 C ATOM 789 NZ LYS A 51 13.402 -18.512 -0.027 1.00 3.58 N ATOM 0 H LYS A 51 7.321 -17.946 0.369 1.00 0.85 H new ATOM 0 HA LYS A 51 7.953 -15.483 -0.447 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.593 -17.100 0.374 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.365 -18.123 -1.031 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.232 -16.138 -2.434 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.716 -15.407 -0.916 1.00 1.23 H new ATOM 0 HD2 LYS A 51 11.889 -17.735 -2.367 1.00 2.11 H new ATOM 0 HD3 LYS A 51 12.685 -16.476 -1.443 1.00 2.11 H new ATOM 0 HE2 LYS A 51 11.585 -17.652 0.639 1.00 2.68 H new ATOM 0 HE3 LYS A 51 11.388 -19.016 -0.444 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 13.455 -19.162 0.783 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 13.776 -18.984 -0.875 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 13.967 -17.662 0.174 1.00 3.58 H new ATOM 803 N ASP A 52 8.325 -15.105 -2.883 1.00 0.92 N ATOM 804 CA ASP A 52 8.262 -14.729 -4.287 1.00 1.17 C ATOM 805 C ASP A 52 9.551 -15.147 -4.981 1.00 1.23 C ATOM 806 O ASP A 52 9.523 -15.631 -6.107 1.00 1.47 O ATOM 807 CB ASP A 52 8.063 -13.221 -4.434 1.00 1.29 C ATOM 808 CG ASP A 52 7.855 -12.804 -5.877 1.00 1.87 C ATOM 809 OD1 ASP A 52 8.862 -12.569 -6.577 1.00 2.35 O ATOM 810 OD2 ASP A 52 6.686 -12.713 -6.307 1.00 2.61 O ATOM 0 H ASP A 52 8.802 -14.423 -2.293 1.00 0.92 H new ATOM 0 HA ASP A 52 7.414 -15.236 -4.748 1.00 1.17 H new ATOM 0 HB2 ASP A 52 7.202 -12.911 -3.841 1.00 1.29 H new ATOM 0 HB3 ASP A 52 8.932 -12.701 -4.030 1.00 1.29 H new ATOM 815 N VAL A 53 10.674 -14.953 -4.269 1.00 1.13 N ATOM 816 CA VAL A 53 12.018 -15.305 -4.739 1.00 1.26 C ATOM 817 C VAL A 53 12.784 -14.087 -5.259 1.00 1.24 C ATOM 818 O VAL A 53 12.801 -13.770 -6.447 1.00 1.48 O ATOM 819 CB VAL A 53 12.011 -16.482 -5.756 1.00 1.57 C ATOM 820 CG1 VAL A 53 11.870 -16.035 -7.211 1.00 2.17 C ATOM 821 CG2 VAL A 53 13.255 -17.340 -5.584 1.00 1.91 C ATOM 0 H VAL A 53 10.670 -14.540 -3.336 1.00 1.13 H new ATOM 0 HA VAL A 53 12.562 -15.667 -3.867 1.00 1.26 H new ATOM 0 HB VAL A 53 11.123 -17.072 -5.531 1.00 1.57 H new ATOM 0 HG11 VAL A 53 11.873 -16.909 -7.862 1.00 2.17 H new ATOM 0 HG12 VAL A 53 10.933 -15.493 -7.336 1.00 2.17 H new ATOM 0 HG13 VAL A 53 12.704 -15.384 -7.474 1.00 2.17 H new ATOM 0 HG21 VAL A 53 13.234 -18.159 -6.303 1.00 1.91 H new ATOM 0 HG22 VAL A 53 14.143 -16.731 -5.753 1.00 1.91 H new ATOM 0 HG23 VAL A 53 13.280 -17.746 -4.573 1.00 1.91 H new ATOM 831 N GLY A 54 13.403 -13.384 -4.323 1.00 1.06 N ATOM 832 CA GLY A 54 14.188 -12.216 -4.666 1.00 1.11 C ATOM 833 C GLY A 54 15.380 -12.586 -5.522 1.00 1.14 C ATOM 834 O GLY A 54 16.456 -12.884 -5.007 1.00 1.24 O ATOM 0 H GLY A 54 13.376 -13.603 -3.327 1.00 1.06 H new ATOM 0 HA2 GLY A 54 13.563 -11.499 -5.199 1.00 1.11 H new ATOM 0 HA3 GLY A 54 14.530 -11.725 -3.755 1.00 1.11 H new ATOM 838 N SER A 55 15.183 -12.593 -6.833 1.00 1.18 N ATOM 839 CA SER A 55 16.256 -12.930 -7.755 1.00 1.25 C ATOM 840 C SER A 55 17.426 -11.974 -7.568 1.00 1.11 C ATOM 841 O SER A 55 17.252 -10.758 -7.616 1.00 1.10 O ATOM 842 CB SER A 55 15.753 -12.875 -9.197 1.00 1.41 C ATOM 843 OG SER A 55 16.710 -13.411 -10.092 1.00 1.61 O ATOM 0 H SER A 55 14.294 -12.370 -7.280 1.00 1.18 H new ATOM 0 HA SER A 55 16.594 -13.944 -7.543 1.00 1.25 H new ATOM 0 HB2 SER A 55 14.820 -13.432 -9.281 1.00 1.41 H new ATOM 0 HB3 SER A 55 15.534 -11.843 -9.470 1.00 1.41 H new ATOM 0 HG SER A 55 16.895 -12.760 -10.801 1.00 1.61 H new ATOM 849 N LEU A 56 18.621 -12.529 -7.365 1.00 1.15 N ATOM 850 CA LEU A 56 19.828 -11.725 -7.152 1.00 1.10 C ATOM 851 C LEU A 56 19.857 -10.497 -8.060 1.00 0.98 C ATOM 852 O LEU A 56 19.880 -9.364 -7.581 1.00 0.97 O ATOM 853 CB LEU A 56 21.078 -12.573 -7.388 1.00 1.28 C ATOM 854 CG LEU A 56 21.258 -13.742 -6.419 1.00 2.03 C ATOM 855 CD1 LEU A 56 22.510 -14.532 -6.762 1.00 2.61 C ATOM 856 CD2 LEU A 56 21.318 -13.239 -4.984 1.00 2.83 C ATOM 0 H LEU A 56 18.781 -13.536 -7.343 1.00 1.15 H new ATOM 0 HA LEU A 56 19.813 -11.379 -6.118 1.00 1.10 H new ATOM 0 HB2 LEU A 56 21.046 -12.965 -8.405 1.00 1.28 H new ATOM 0 HB3 LEU A 56 21.954 -11.928 -7.322 1.00 1.28 H new ATOM 0 HG LEU A 56 20.398 -14.405 -6.515 1.00 2.03 H new ATOM 0 HD11 LEU A 56 22.621 -15.360 -6.062 1.00 2.61 H new ATOM 0 HD12 LEU A 56 22.427 -14.923 -7.776 1.00 2.61 H new ATOM 0 HD13 LEU A 56 23.381 -13.880 -6.695 1.00 2.61 H new ATOM 0 HD21 LEU A 56 21.446 -14.084 -4.307 1.00 2.83 H new ATOM 0 HD22 LEU A 56 22.159 -12.554 -4.873 1.00 2.83 H new ATOM 0 HD23 LEU A 56 20.392 -12.718 -4.742 1.00 2.83 H new ATOM 868 N ASP A 57 19.857 -10.725 -9.368 1.00 1.00 N ATOM 869 CA ASP A 57 19.869 -9.620 -10.318 1.00 1.01 C ATOM 870 C ASP A 57 18.713 -8.682 -10.048 1.00 0.95 C ATOM 871 O ASP A 57 18.890 -7.468 -9.945 1.00 0.96 O ATOM 872 CB ASP A 57 19.763 -10.117 -11.749 1.00 1.15 C ATOM 873 CG ASP A 57 18.841 -11.314 -11.886 1.00 1.69 C ATOM 874 OD1 ASP A 57 17.626 -11.107 -12.088 1.00 2.48 O ATOM 875 OD2 ASP A 57 19.335 -12.457 -11.793 1.00 2.20 O ATOM 0 H ASP A 57 19.849 -11.653 -9.791 1.00 1.00 H new ATOM 0 HA ASP A 57 20.817 -9.096 -10.192 1.00 1.01 H new ATOM 0 HB2 ASP A 57 19.400 -9.309 -12.384 1.00 1.15 H new ATOM 0 HB3 ASP A 57 20.756 -10.385 -12.111 1.00 1.15 H new ATOM 880 N GLU A 58 17.520 -9.256 -9.933 1.00 0.94 N ATOM 881 CA GLU A 58 16.323 -8.475 -9.670 1.00 0.95 C ATOM 882 C GLU A 58 16.560 -7.608 -8.454 1.00 0.87 C ATOM 883 O GLU A 58 16.205 -6.430 -8.430 1.00 0.90 O ATOM 884 CB GLU A 58 15.112 -9.385 -9.436 1.00 0.98 C ATOM 885 CG GLU A 58 13.791 -8.638 -9.437 1.00 1.43 C ATOM 886 CD GLU A 58 12.600 -9.563 -9.269 1.00 1.80 C ATOM 887 OE1 GLU A 58 12.242 -9.865 -8.111 1.00 2.42 O ATOM 888 OE2 GLU A 58 12.027 -9.986 -10.295 1.00 2.29 O ATOM 0 H GLU A 58 17.359 -10.260 -10.018 1.00 0.94 H new ATOM 0 HA GLU A 58 16.110 -7.851 -10.538 1.00 0.95 H new ATOM 0 HB2 GLU A 58 15.088 -10.152 -10.210 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.231 -9.898 -8.482 1.00 0.98 H new ATOM 0 HG2 GLU A 58 13.792 -7.903 -8.632 1.00 1.43 H new ATOM 0 HG3 GLU A 58 13.690 -8.087 -10.372 1.00 1.43 H new ATOM 895 N LYS A 59 17.197 -8.205 -7.455 1.00 0.81 N ATOM 896 CA LYS A 59 17.507 -7.500 -6.234 1.00 0.76 C ATOM 897 C LYS A 59 18.468 -6.357 -6.506 1.00 0.80 C ATOM 898 O LYS A 59 18.523 -5.402 -5.743 1.00 0.79 O ATOM 899 CB LYS A 59 18.082 -8.454 -5.184 1.00 0.75 C ATOM 900 CG LYS A 59 17.122 -9.571 -4.792 1.00 0.75 C ATOM 901 CD LYS A 59 17.832 -10.700 -4.052 1.00 1.14 C ATOM 902 CE LYS A 59 18.701 -10.193 -2.914 1.00 1.95 C ATOM 903 NZ LYS A 59 19.666 -11.230 -2.453 1.00 2.67 N ATOM 0 H LYS A 59 17.506 -9.177 -7.473 1.00 0.81 H new ATOM 0 HA LYS A 59 16.581 -7.082 -5.839 1.00 0.76 H new ATOM 0 HB2 LYS A 59 19.002 -8.894 -5.568 1.00 0.75 H new ATOM 0 HB3 LYS A 59 18.349 -7.885 -4.294 1.00 0.75 H new ATOM 0 HG2 LYS A 59 16.331 -9.165 -4.161 1.00 0.75 H new ATOM 0 HG3 LYS A 59 16.643 -9.969 -5.687 1.00 0.75 H new ATOM 0 HD2 LYS A 59 17.090 -11.394 -3.657 1.00 1.14 H new ATOM 0 HD3 LYS A 59 18.449 -11.259 -4.755 1.00 1.14 H new ATOM 0 HE2 LYS A 59 19.247 -9.307 -3.240 1.00 1.95 H new ATOM 0 HE3 LYS A 59 18.068 -9.889 -2.080 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 20.021 -10.979 -1.508 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 19.189 -12.153 -2.410 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 20.463 -11.283 -3.119 1.00 2.67 H new ATOM 917 N MET A 60 19.237 -6.478 -7.588 1.00 0.86 N ATOM 918 CA MET A 60 20.188 -5.450 -7.983 1.00 0.92 C ATOM 919 C MET A 60 19.509 -4.328 -8.765 1.00 0.96 C ATOM 920 O MET A 60 19.629 -3.152 -8.424 1.00 1.01 O ATOM 921 CB MET A 60 21.312 -6.064 -8.822 1.00 1.00 C ATOM 922 CG MET A 60 22.190 -7.034 -8.049 1.00 1.00 C ATOM 923 SD MET A 60 23.102 -6.233 -6.716 1.00 1.73 S ATOM 924 CE MET A 60 24.006 -7.623 -6.040 1.00 2.31 C ATOM 0 H MET A 60 19.216 -7.287 -8.209 1.00 0.86 H new ATOM 0 HA MET A 60 20.608 -5.020 -7.074 1.00 0.92 H new ATOM 0 HB2 MET A 60 20.875 -6.584 -9.675 1.00 1.00 H new ATOM 0 HB3 MET A 60 21.934 -5.263 -9.221 1.00 1.00 H new ATOM 0 HG2 MET A 60 21.569 -7.828 -7.634 1.00 1.00 H new ATOM 0 HG3 MET A 60 22.895 -7.506 -8.734 1.00 1.00 H new ATOM 0 HE1 MET A 60 24.619 -7.286 -5.204 1.00 2.31 H new ATOM 0 HE2 MET A 60 23.303 -8.380 -5.693 1.00 2.31 H new ATOM 0 HE3 MET A 60 24.647 -8.050 -6.811 1.00 2.31 H new ATOM 934 N LYS A 61 18.817 -4.702 -9.834 1.00 0.97 N ATOM 935 CA LYS A 61 18.112 -3.727 -10.666 1.00 1.02 C ATOM 936 C LYS A 61 17.091 -2.951 -9.856 1.00 0.96 C ATOM 937 O LYS A 61 17.125 -1.721 -9.801 1.00 0.92 O ATOM 938 CB LYS A 61 17.398 -4.391 -11.845 1.00 1.08 C ATOM 939 CG LYS A 61 17.044 -5.856 -11.653 1.00 1.55 C ATOM 940 CD LYS A 61 16.159 -6.360 -12.780 1.00 2.07 C ATOM 941 CE LYS A 61 16.861 -6.263 -14.125 1.00 2.59 C ATOM 942 NZ LYS A 61 15.991 -6.729 -15.241 1.00 3.16 N ATOM 0 H LYS A 61 18.727 -5.669 -10.147 1.00 0.97 H new ATOM 0 HA LYS A 61 18.872 -3.047 -11.050 1.00 1.02 H new ATOM 0 HB2 LYS A 61 16.482 -3.838 -12.051 1.00 1.08 H new ATOM 0 HB3 LYS A 61 18.030 -4.301 -12.728 1.00 1.08 H new ATOM 0 HG2 LYS A 61 17.957 -6.451 -11.610 1.00 1.55 H new ATOM 0 HG3 LYS A 61 16.533 -5.987 -10.699 1.00 1.55 H new ATOM 0 HD2 LYS A 61 15.879 -7.396 -12.589 1.00 2.07 H new ATOM 0 HD3 LYS A 61 15.237 -5.780 -12.807 1.00 2.07 H new ATOM 0 HE2 LYS A 61 17.160 -5.230 -14.305 1.00 2.59 H new ATOM 0 HE3 LYS A 61 17.773 -6.860 -14.102 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 16.506 -6.647 -16.141 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 15.726 -7.722 -15.083 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 15.132 -6.144 -15.279 1.00 3.16 H new ATOM 956 N THR A 62 16.178 -3.685 -9.241 1.00 0.98 N ATOM 957 CA THR A 62 15.117 -3.092 -8.431 1.00 0.96 C ATOM 958 C THR A 62 15.612 -1.901 -7.615 1.00 0.86 C ATOM 959 O THR A 62 14.838 -0.991 -7.317 1.00 0.84 O ATOM 960 CB THR A 62 14.476 -4.126 -7.484 1.00 1.02 C ATOM 961 OG1 THR A 62 13.956 -5.235 -8.232 1.00 1.12 O ATOM 962 CG2 THR A 62 13.353 -3.490 -6.678 1.00 1.05 C ATOM 0 H THR A 62 16.148 -4.704 -9.286 1.00 0.98 H new ATOM 0 HA THR A 62 14.364 -2.740 -9.136 1.00 0.96 H new ATOM 0 HB THR A 62 15.248 -4.482 -6.801 1.00 1.02 H new ATOM 0 HG1 THR A 62 14.698 -5.786 -8.559 1.00 1.12 H new ATOM 0 HG21 THR A 62 12.913 -4.236 -6.016 1.00 1.05 H new ATOM 0 HG22 THR A 62 13.752 -2.667 -6.084 1.00 1.05 H new ATOM 0 HG23 THR A 62 12.588 -3.111 -7.356 1.00 1.05 H new ATOM 970 N LEU A 63 16.899 -1.896 -7.251 1.00 0.86 N ATOM 971 CA LEU A 63 17.454 -0.770 -6.501 1.00 0.84 C ATOM 972 C LEU A 63 17.089 0.527 -7.202 1.00 0.80 C ATOM 973 O LEU A 63 16.381 1.375 -6.656 1.00 0.89 O ATOM 974 CB LEU A 63 18.979 -0.863 -6.391 1.00 0.95 C ATOM 975 CG LEU A 63 19.512 -1.722 -5.246 1.00 0.92 C ATOM 976 CD1 LEU A 63 19.843 -3.108 -5.752 1.00 1.05 C ATOM 977 CD2 LEU A 63 20.740 -1.082 -4.615 1.00 1.40 C ATOM 0 H LEU A 63 17.562 -2.643 -7.459 1.00 0.86 H new ATOM 0 HA LEU A 63 17.035 -0.796 -5.495 1.00 0.84 H new ATOM 0 HB2 LEU A 63 19.368 -1.259 -7.329 1.00 0.95 H new ATOM 0 HB3 LEU A 63 19.379 0.145 -6.280 1.00 0.95 H new ATOM 0 HG LEU A 63 18.739 -1.798 -4.481 1.00 0.92 H new ATOM 0 HD11 LEU A 63 20.222 -3.715 -4.930 1.00 1.05 H new ATOM 0 HD12 LEU A 63 18.944 -3.571 -6.160 1.00 1.05 H new ATOM 0 HD13 LEU A 63 20.601 -3.039 -6.532 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.101 -1.712 -3.802 1.00 1.40 H new ATOM 0 HD22 LEU A 63 21.522 -0.976 -5.367 1.00 1.40 H new ATOM 0 HD23 LEU A 63 20.477 -0.099 -4.223 1.00 1.40 H new ATOM 989 N ASP A 64 17.571 0.661 -8.431 1.00 0.79 N ATOM 990 CA ASP A 64 17.279 1.839 -9.234 1.00 0.82 C ATOM 991 C ASP A 64 15.773 2.039 -9.325 1.00 0.82 C ATOM 992 O ASP A 64 15.275 3.157 -9.191 1.00 0.89 O ATOM 993 CB ASP A 64 17.873 1.694 -10.635 1.00 0.91 C ATOM 994 CG ASP A 64 19.373 1.911 -10.653 1.00 1.35 C ATOM 995 OD1 ASP A 64 19.801 3.077 -10.790 1.00 2.05 O ATOM 996 OD2 ASP A 64 20.119 0.917 -10.532 1.00 1.99 O ATOM 0 H ASP A 64 18.164 -0.030 -8.891 1.00 0.79 H new ATOM 0 HA ASP A 64 17.730 2.709 -8.756 1.00 0.82 H new ATOM 0 HB2 ASP A 64 17.648 0.700 -11.021 1.00 0.91 H new ATOM 0 HB3 ASP A 64 17.397 2.411 -11.304 1.00 0.91 H new ATOM 1001 N VAL A 65 15.053 0.943 -9.553 1.00 0.82 N ATOM 1002 CA VAL A 65 13.602 0.997 -9.642 1.00 0.87 C ATOM 1003 C VAL A 65 13.029 1.619 -8.372 1.00 0.77 C ATOM 1004 O VAL A 65 12.646 2.789 -8.368 1.00 0.82 O ATOM 1005 CB VAL A 65 12.993 -0.405 -9.869 1.00 0.95 C ATOM 1006 CG1 VAL A 65 11.477 -0.322 -9.951 1.00 1.06 C ATOM 1007 CG2 VAL A 65 13.561 -1.032 -11.133 1.00 1.07 C ATOM 0 H VAL A 65 15.451 0.012 -9.679 1.00 0.82 H new ATOM 0 HA VAL A 65 13.340 1.615 -10.501 1.00 0.87 H new ATOM 0 HB VAL A 65 13.257 -1.037 -9.021 1.00 0.95 H new ATOM 0 HG11 VAL A 65 11.066 -1.319 -10.111 1.00 1.06 H new ATOM 0 HG12 VAL A 65 11.084 0.087 -9.020 1.00 1.06 H new ATOM 0 HG13 VAL A 65 11.192 0.325 -10.781 1.00 1.06 H new ATOM 0 HG21 VAL A 65 13.122 -2.019 -11.279 1.00 1.07 H new ATOM 0 HG22 VAL A 65 13.326 -0.400 -11.990 1.00 1.07 H new ATOM 0 HG23 VAL A 65 14.643 -1.127 -11.038 1.00 1.07 H new ATOM 1017 N ASN A 66 12.967 0.837 -7.294 1.00 0.72 N ATOM 1018 CA ASN A 66 12.468 1.342 -6.016 1.00 0.68 C ATOM 1019 C ASN A 66 13.572 2.076 -5.265 1.00 0.57 C ATOM 1020 O ASN A 66 13.789 1.831 -4.079 1.00 0.57 O ATOM 1021 CB ASN A 66 11.946 0.208 -5.137 1.00 0.82 C ATOM 1022 CG ASN A 66 11.297 -0.909 -5.931 1.00 0.81 C ATOM 1023 OD1 ASN A 66 11.381 -2.079 -5.560 1.00 1.51 O ATOM 1024 ND2 ASN A 66 10.634 -0.552 -7.025 1.00 1.10 N ATOM 0 H ASN A 66 13.254 -0.142 -7.280 1.00 0.72 H new ATOM 0 HA ASN A 66 11.650 2.028 -6.236 1.00 0.68 H new ATOM 0 HB2 ASN A 66 12.771 -0.201 -4.554 1.00 0.82 H new ATOM 0 HB3 ASN A 66 11.222 0.610 -4.428 1.00 0.82 H new ATOM 0 HD21 ASN A 66 10.169 -1.260 -7.594 1.00 1.10 H new ATOM 0 HD22 ASN A 66 10.589 0.430 -7.297 1.00 1.10 H new ATOM 1031 N GLN A 67 14.256 2.987 -5.942 1.00 0.62 N ATOM 1032 CA GLN A 67 15.336 3.721 -5.324 1.00 0.68 C ATOM 1033 C GLN A 67 14.778 4.481 -4.142 1.00 0.61 C ATOM 1034 O GLN A 67 15.180 4.286 -2.997 1.00 0.66 O ATOM 1035 CB GLN A 67 16.014 4.627 -6.393 1.00 0.88 C ATOM 1036 CG GLN A 67 15.990 6.126 -6.160 1.00 0.74 C ATOM 1037 CD GLN A 67 14.947 6.886 -6.951 1.00 1.15 C ATOM 1038 OE1 GLN A 67 13.879 6.217 -7.331 1.00 1.97 O flip ATOM 1039 NE2 GLN A 67 15.114 8.073 -7.230 1.00 1.36 N flip ATOM 0 H GLN A 67 14.078 3.231 -6.916 1.00 0.62 H new ATOM 0 HA GLN A 67 16.115 3.061 -4.943 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.055 4.318 -6.484 1.00 0.88 H new ATOM 0 HB3 GLN A 67 15.537 4.428 -7.353 1.00 0.88 H new ATOM 0 HG2 GLN A 67 15.823 6.310 -5.099 1.00 0.74 H new ATOM 0 HG3 GLN A 67 16.973 6.531 -6.402 1.00 0.74 H new ATOM 0 HE21 GLN A 67 15.956 8.557 -6.917 1.00 1.36 H new ATOM 0 HE22 GLN A 67 14.411 8.573 -7.774 1.00 1.36 H new ATOM 1048 N ASP A 68 13.841 5.341 -4.450 1.00 0.59 N ATOM 1049 CA ASP A 68 13.163 6.139 -3.466 1.00 0.62 C ATOM 1050 C ASP A 68 11.951 5.386 -2.935 1.00 0.59 C ATOM 1051 O ASP A 68 10.921 5.991 -2.652 1.00 0.66 O ATOM 1052 CB ASP A 68 12.761 7.484 -4.060 1.00 0.74 C ATOM 1053 CG ASP A 68 13.950 8.406 -4.248 1.00 1.00 C ATOM 1054 OD1 ASP A 68 14.807 8.463 -3.341 1.00 1.51 O ATOM 1055 OD2 ASP A 68 14.027 9.069 -5.303 1.00 1.62 O ATOM 0 H ASP A 68 13.525 5.507 -5.405 1.00 0.59 H new ATOM 0 HA ASP A 68 13.838 6.331 -2.632 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.273 7.323 -5.021 1.00 0.74 H new ATOM 0 HB3 ASP A 68 12.031 7.964 -3.408 1.00 0.74 H new ATOM 1060 N SER A 69 12.093 4.063 -2.765 1.00 0.56 N ATOM 1061 CA SER A 69 11.004 3.211 -2.282 1.00 0.59 C ATOM 1062 C SER A 69 10.302 3.895 -1.128 1.00 0.63 C ATOM 1063 O SER A 69 9.117 3.696 -0.888 1.00 0.75 O ATOM 1064 CB SER A 69 11.551 1.849 -1.852 1.00 0.68 C ATOM 1065 OG SER A 69 10.571 1.105 -1.150 1.00 1.75 O ATOM 0 H SER A 69 12.959 3.560 -2.957 1.00 0.56 H new ATOM 0 HA SER A 69 10.286 3.050 -3.086 1.00 0.59 H new ATOM 0 HB2 SER A 69 11.876 1.291 -2.730 1.00 0.68 H new ATOM 0 HB3 SER A 69 12.428 1.989 -1.220 1.00 0.68 H new ATOM 0 HG SER A 69 10.630 0.161 -1.408 1.00 1.75 H new ATOM 1071 N GLU A 70 11.085 4.687 -0.419 1.00 0.64 N ATOM 1072 CA GLU A 70 10.605 5.505 0.677 1.00 0.76 C ATOM 1073 C GLU A 70 10.886 6.942 0.324 1.00 0.78 C ATOM 1074 O GLU A 70 11.801 7.232 -0.446 1.00 0.81 O ATOM 1075 CB GLU A 70 11.299 5.149 1.989 1.00 0.85 C ATOM 1076 CG GLU A 70 11.624 6.356 2.898 1.00 1.33 C ATOM 1077 CD GLU A 70 10.397 7.031 3.478 1.00 2.19 C ATOM 1078 OE1 GLU A 70 9.274 6.648 3.092 1.00 2.72 O ATOM 1079 OE2 GLU A 70 10.559 7.936 4.322 1.00 2.88 O ATOM 0 H GLU A 70 12.086 4.781 -0.591 1.00 0.64 H new ATOM 0 HA GLU A 70 9.538 5.333 0.821 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.666 4.455 2.542 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.226 4.623 1.762 1.00 0.85 H new ATOM 0 HG2 GLU A 70 12.264 6.022 3.715 1.00 1.33 H new ATOM 0 HG3 GLU A 70 12.194 7.088 2.325 1.00 1.33 H new ATOM 1086 N LEU A 71 10.113 7.842 0.876 1.00 0.79 N ATOM 1087 CA LEU A 71 10.329 9.210 0.597 1.00 0.83 C ATOM 1088 C LEU A 71 10.080 10.154 1.789 1.00 0.81 C ATOM 1089 O LEU A 71 9.251 9.897 2.646 1.00 0.86 O ATOM 1090 CB LEU A 71 9.418 9.503 -0.561 1.00 0.99 C ATOM 1091 CG LEU A 71 9.212 10.931 -0.886 1.00 0.79 C ATOM 1092 CD1 LEU A 71 8.333 11.659 0.120 1.00 1.89 C ATOM 1093 CD2 LEU A 71 10.550 11.558 -1.102 1.00 1.26 C ATOM 0 H LEU A 71 9.341 7.641 1.512 1.00 0.79 H new ATOM 0 HA LEU A 71 11.379 9.393 0.369 1.00 0.83 H new ATOM 0 HB2 LEU A 71 9.817 9.005 -1.445 1.00 0.99 H new ATOM 0 HB3 LEU A 71 8.446 9.055 -0.354 1.00 0.99 H new ATOM 0 HG LEU A 71 8.638 11.015 -1.809 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.224 12.701 -0.179 1.00 1.89 H new ATOM 0 HD12 LEU A 71 7.351 11.187 0.154 1.00 1.89 H new ATOM 0 HD13 LEU A 71 8.793 11.611 1.107 1.00 1.89 H new ATOM 0 HD21 LEU A 71 10.423 12.613 -1.343 1.00 1.26 H new ATOM 0 HD22 LEU A 71 11.147 11.463 -0.195 1.00 1.26 H new ATOM 0 HD23 LEU A 71 11.058 11.056 -1.925 1.00 1.26 H new ATOM 1105 N ARG A 72 10.875 11.217 1.858 1.00 0.77 N ATOM 1106 CA ARG A 72 10.704 12.274 2.845 1.00 0.79 C ATOM 1107 C ARG A 72 10.283 13.562 2.106 1.00 0.68 C ATOM 1108 O ARG A 72 9.564 14.397 2.648 1.00 0.75 O ATOM 1109 CB ARG A 72 11.996 12.515 3.631 1.00 0.91 C ATOM 1110 CG ARG A 72 12.895 11.295 3.741 1.00 1.00 C ATOM 1111 CD ARG A 72 12.151 10.078 4.261 1.00 1.06 C ATOM 1112 NE ARG A 72 11.080 10.433 5.191 1.00 1.30 N ATOM 1113 CZ ARG A 72 11.262 10.626 6.493 1.00 1.18 C ATOM 1114 NH1 ARG A 72 12.474 10.521 7.023 1.00 1.56 N ATOM 1115 NH2 ARG A 72 10.231 10.934 7.268 1.00 1.42 N ATOM 0 H ARG A 72 11.661 11.369 1.226 1.00 0.77 H new ATOM 0 HA ARG A 72 9.938 11.978 3.561 1.00 0.79 H new ATOM 0 HB2 ARG A 72 12.553 13.321 3.154 1.00 0.91 H new ATOM 0 HB3 ARG A 72 11.740 12.855 4.634 1.00 0.91 H new ATOM 0 HG2 ARG A 72 13.319 11.069 2.762 1.00 1.00 H new ATOM 0 HG3 ARG A 72 13.729 11.520 4.405 1.00 1.00 H new ATOM 0 HD2 ARG A 72 11.730 9.527 3.420 1.00 1.06 H new ATOM 0 HD3 ARG A 72 12.855 9.411 4.759 1.00 1.06 H new ATOM 0 HE ARG A 72 10.137 10.539 4.818 1.00 1.30 H new ATOM 0 HH11 ARG A 72 13.272 10.291 6.430 1.00 1.56 H new ATOM 0 HH12 ARG A 72 12.608 10.670 8.023 1.00 1.56 H new ATOM 0 HH21 ARG A 72 9.298 11.023 6.865 1.00 1.42 H new ATOM 0 HH22 ARG A 72 10.371 11.082 8.267 1.00 1.42 H new ATOM 1129 N PHE A 73 10.736 13.685 0.841 1.00 0.60 N ATOM 1130 CA PHE A 73 10.403 14.829 -0.024 1.00 0.57 C ATOM 1131 C PHE A 73 9.207 14.530 -0.999 1.00 0.51 C ATOM 1132 O PHE A 73 8.076 14.607 -0.567 1.00 0.63 O ATOM 1133 CB PHE A 73 11.676 15.390 -0.733 1.00 0.64 C ATOM 1134 CG PHE A 73 12.241 14.619 -1.907 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.643 13.299 -1.798 1.00 1.36 C ATOM 1136 CD2 PHE A 73 12.350 15.231 -3.147 1.00 1.24 C ATOM 1137 CE1 PHE A 73 13.127 12.604 -2.877 1.00 1.44 C ATOM 1138 CE2 PHE A 73 12.843 14.542 -4.237 1.00 1.31 C ATOM 1139 CZ PHE A 73 13.229 13.224 -4.105 1.00 0.86 C ATOM 0 H PHE A 73 11.340 12.995 0.395 1.00 0.60 H new ATOM 0 HA PHE A 73 10.034 15.629 0.617 1.00 0.57 H new ATOM 0 HB2 PHE A 73 11.448 16.399 -1.076 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.463 15.478 0.016 1.00 0.64 H new ATOM 0 HD1 PHE A 73 12.574 12.804 -0.840 1.00 1.36 H new ATOM 0 HD2 PHE A 73 12.045 16.261 -3.261 1.00 1.24 H new ATOM 0 HE1 PHE A 73 13.428 11.573 -2.765 1.00 1.44 H new ATOM 0 HE2 PHE A 73 12.927 15.035 -5.194 1.00 1.31 H new ATOM 0 HZ PHE A 73 13.609 12.681 -4.958 1.00 0.86 H new ATOM 1149 N SER A 74 9.407 14.159 -2.284 1.00 0.48 N ATOM 1150 CA SER A 74 8.249 13.918 -3.178 1.00 0.46 C ATOM 1151 C SER A 74 8.149 12.500 -3.702 1.00 0.42 C ATOM 1152 O SER A 74 7.089 12.077 -4.162 1.00 0.47 O ATOM 1153 CB SER A 74 8.268 14.866 -4.375 1.00 0.60 C ATOM 1154 OG SER A 74 9.571 14.969 -4.924 1.00 1.01 O ATOM 0 H SER A 74 10.322 14.024 -2.714 1.00 0.48 H new ATOM 0 HA SER A 74 7.379 14.101 -2.548 1.00 0.46 H new ATOM 0 HB2 SER A 74 7.576 14.508 -5.137 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.921 15.852 -4.067 1.00 0.60 H new ATOM 0 HG SER A 74 9.556 15.581 -5.690 1.00 1.01 H new ATOM 1160 N GLU A 75 9.227 11.772 -3.641 1.00 0.43 N ATOM 1161 CA GLU A 75 9.248 10.376 -4.116 1.00 0.42 C ATOM 1162 C GLU A 75 8.307 9.400 -3.360 1.00 0.42 C ATOM 1163 O GLU A 75 8.561 8.196 -3.362 1.00 0.55 O ATOM 1164 CB GLU A 75 10.661 9.827 -3.994 1.00 0.44 C ATOM 1165 CG GLU A 75 11.717 10.669 -4.672 1.00 0.60 C ATOM 1166 CD GLU A 75 11.849 10.368 -6.152 1.00 0.93 C ATOM 1167 OE1 GLU A 75 11.919 9.174 -6.511 1.00 1.60 O ATOM 1168 OE2 GLU A 75 11.885 11.327 -6.953 1.00 1.42 O ATOM 0 H GLU A 75 10.117 12.103 -3.269 1.00 0.43 H new ATOM 0 HA GLU A 75 8.891 10.426 -5.145 1.00 0.42 H new ATOM 0 HB2 GLU A 75 10.911 9.733 -2.937 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.686 8.823 -4.418 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.474 11.723 -4.541 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.677 10.501 -4.185 1.00 0.60 H new ATOM 1175 N TYR A 76 7.234 9.888 -2.724 1.00 0.38 N ATOM 1176 CA TYR A 76 6.351 9.009 -1.981 1.00 0.38 C ATOM 1177 C TYR A 76 5.578 8.143 -2.930 1.00 0.39 C ATOM 1178 O TYR A 76 5.158 7.046 -2.587 1.00 0.43 O ATOM 1179 CB TYR A 76 5.413 9.785 -1.051 1.00 0.40 C ATOM 1180 CG TYR A 76 5.825 9.766 0.398 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.566 8.722 0.922 1.00 1.22 C ATOM 1182 CD2 TYR A 76 5.500 10.819 1.234 1.00 1.29 C ATOM 1183 CE1 TYR A 76 6.972 8.717 2.219 1.00 1.25 C ATOM 1184 CE2 TYR A 76 5.908 10.828 2.550 1.00 1.30 C ATOM 1185 CZ TYR A 76 6.648 9.774 3.042 1.00 0.49 C ATOM 1186 OH TYR A 76 7.058 9.776 4.356 1.00 0.55 O ATOM 0 H TYR A 76 6.967 10.872 -2.714 1.00 0.38 H new ATOM 0 HA TYR A 76 6.967 8.375 -1.343 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.360 10.820 -1.388 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.409 9.370 -1.137 1.00 0.40 H new ATOM 0 HD1 TYR A 76 6.828 7.890 0.285 1.00 1.22 H new ATOM 0 HD2 TYR A 76 4.919 11.645 0.850 1.00 1.29 H new ATOM 0 HE1 TYR A 76 7.547 7.887 2.604 1.00 1.25 H new ATOM 0 HE2 TYR A 76 5.649 11.656 3.193 1.00 1.30 H new ATOM 0 HH TYR A 76 8.037 9.787 4.393 1.00 0.55 H new ATOM 1196 N TRP A 77 5.440 8.615 -4.156 1.00 0.39 N ATOM 1197 CA TRP A 77 4.782 7.822 -5.182 1.00 0.43 C ATOM 1198 C TRP A 77 5.506 6.480 -5.310 1.00 0.45 C ATOM 1199 O TRP A 77 5.008 5.556 -5.940 1.00 0.49 O ATOM 1200 CB TRP A 77 4.824 8.534 -6.525 1.00 0.44 C ATOM 1201 CG TRP A 77 6.224 8.798 -6.955 1.00 0.44 C ATOM 1202 CD1 TRP A 77 7.161 7.863 -7.270 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.858 10.069 -7.087 1.00 0.45 C ATOM 1204 NE1 TRP A 77 8.339 8.474 -7.594 1.00 0.52 N ATOM 1205 CE2 TRP A 77 8.180 9.832 -7.493 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.432 11.382 -6.905 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 9.085 10.866 -7.719 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.324 12.408 -7.127 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.640 12.147 -7.531 1.00 0.55 C ATOM 0 H TRP A 77 5.769 9.530 -4.464 1.00 0.39 H new ATOM 0 HA TRP A 77 3.741 7.673 -4.897 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.319 7.927 -7.276 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.279 9.475 -6.457 1.00 0.44 H new ATOM 0 HD1 TRP A 77 6.998 6.795 -7.265 1.00 0.49 H new ATOM 0 HE1 TRP A 77 9.198 7.997 -7.867 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.419 11.593 -6.595 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 10.099 10.665 -8.031 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 7.004 13.430 -6.987 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.316 12.972 -7.697 1.00 0.55 H new ATOM 1220 N ARG A 78 6.712 6.390 -4.731 1.00 0.43 N ATOM 1221 CA ARG A 78 7.472 5.169 -4.763 1.00 0.47 C ATOM 1222 C ARG A 78 6.774 4.165 -3.872 1.00 0.49 C ATOM 1223 O ARG A 78 6.644 2.996 -4.226 1.00 0.61 O ATOM 1224 CB ARG A 78 8.905 5.431 -4.298 1.00 0.50 C ATOM 1225 CG ARG A 78 9.699 6.298 -5.254 1.00 0.60 C ATOM 1226 CD ARG A 78 10.112 5.525 -6.493 1.00 0.77 C ATOM 1227 NE ARG A 78 10.739 6.383 -7.494 1.00 1.48 N ATOM 1228 CZ ARG A 78 10.931 6.016 -8.757 1.00 1.75 C ATOM 1229 NH1 ARG A 78 10.537 4.818 -9.169 1.00 1.37 N ATOM 1230 NH2 ARG A 78 11.514 6.847 -9.611 1.00 2.82 N ATOM 0 H ARG A 78 7.167 7.159 -4.239 1.00 0.43 H new ATOM 0 HA ARG A 78 7.530 4.774 -5.777 1.00 0.47 H new ATOM 0 HB2 ARG A 78 8.880 5.911 -3.320 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.418 4.478 -4.172 1.00 0.50 H new ATOM 0 HG2 ARG A 78 9.102 7.162 -5.545 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.586 6.680 -4.749 1.00 0.60 H new ATOM 0 HD2 ARG A 78 10.805 4.732 -6.211 1.00 0.77 H new ATOM 0 HD3 ARG A 78 9.236 5.043 -6.927 1.00 0.77 H new ATOM 0 HE ARG A 78 11.046 7.313 -7.209 1.00 1.48 H new ATOM 0 HH11 ARG A 78 10.086 4.177 -8.516 1.00 1.37 H new ATOM 0 HH12 ARG A 78 10.685 4.538 -10.139 1.00 1.37 H new ATOM 0 HH21 ARG A 78 11.816 7.770 -9.299 1.00 2.82 H new ATOM 0 HH22 ARG A 78 11.660 6.563 -10.580 1.00 2.82 H new ATOM 1244 N LEU A 79 6.283 4.649 -2.722 1.00 0.43 N ATOM 1245 CA LEU A 79 5.555 3.795 -1.798 1.00 0.46 C ATOM 1246 C LEU A 79 4.374 3.172 -2.506 1.00 0.47 C ATOM 1247 O LEU A 79 3.847 2.145 -2.081 1.00 0.53 O ATOM 1248 CB LEU A 79 4.996 4.568 -0.606 1.00 0.55 C ATOM 1249 CG LEU A 79 5.887 5.637 -0.010 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.226 6.198 1.237 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.242 5.069 0.323 1.00 0.89 C ATOM 0 H LEU A 79 6.380 5.618 -2.420 1.00 0.43 H new ATOM 0 HA LEU A 79 6.264 3.047 -1.443 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.061 5.037 -0.913 1.00 0.55 H new ATOM 0 HB3 LEU A 79 4.751 3.852 0.179 1.00 0.55 H new ATOM 0 HG LEU A 79 6.026 6.437 -0.737 1.00 0.63 H new ATOM 0 HD11 LEU A 79 5.863 6.969 1.671 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.261 6.631 0.974 1.00 1.24 H new ATOM 0 HD13 LEU A 79 5.079 5.398 1.962 1.00 1.24 H new ATOM 0 HD21 LEU A 79 7.869 5.851 0.750 1.00 0.89 H new ATOM 0 HD22 LEU A 79 7.130 4.259 1.044 1.00 0.89 H new ATOM 0 HD23 LEU A 79 7.708 4.685 -0.584 1.00 0.89 H new ATOM 1263 N ILE A 80 3.948 3.806 -3.591 1.00 0.46 N ATOM 1264 CA ILE A 80 2.806 3.340 -4.326 1.00 0.49 C ATOM 1265 C ILE A 80 2.909 1.843 -4.632 1.00 0.49 C ATOM 1266 O ILE A 80 2.019 1.069 -4.279 1.00 0.51 O ATOM 1267 CB ILE A 80 2.572 4.208 -5.593 1.00 0.53 C ATOM 1268 CG1 ILE A 80 1.076 4.354 -5.875 1.00 0.60 C ATOM 1269 CG2 ILE A 80 3.285 3.653 -6.812 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.772 5.141 -7.132 1.00 1.16 C ATOM 0 H ILE A 80 4.385 4.645 -3.973 1.00 0.46 H new ATOM 0 HA ILE A 80 1.921 3.457 -3.700 1.00 0.49 H new ATOM 0 HB ILE A 80 2.996 5.191 -5.389 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.632 3.362 -5.961 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.600 4.844 -5.025 1.00 0.60 H new ATOM 0 HG21 ILE A 80 3.090 4.295 -7.671 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.358 3.617 -6.621 1.00 0.57 H new ATOM 0 HG23 ILE A 80 2.920 2.647 -7.020 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.307 5.205 -7.269 1.00 1.16 H new ATOM 0 HD12 ILE A 80 1.186 6.145 -7.042 1.00 1.16 H new ATOM 0 HD13 ILE A 80 1.218 4.641 -7.991 1.00 1.16 H new ATOM 1282 N GLY A 81 3.990 1.443 -5.287 1.00 0.48 N ATOM 1283 CA GLY A 81 4.198 0.036 -5.575 1.00 0.49 C ATOM 1284 C GLY A 81 4.809 -0.697 -4.399 1.00 0.43 C ATOM 1285 O GLY A 81 5.087 -1.893 -4.487 1.00 0.43 O ATOM 0 H GLY A 81 4.725 2.065 -5.624 1.00 0.48 H new ATOM 0 HA2 GLY A 81 3.246 -0.426 -5.836 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.849 -0.064 -6.443 1.00 0.49 H new ATOM 1289 N GLU A 82 5.014 0.017 -3.293 1.00 0.41 N ATOM 1290 CA GLU A 82 5.628 -0.574 -2.109 1.00 0.39 C ATOM 1291 C GLU A 82 4.630 -1.333 -1.261 1.00 0.33 C ATOM 1292 O GLU A 82 4.705 -2.552 -1.134 1.00 0.34 O ATOM 1293 CB GLU A 82 6.286 0.489 -1.254 1.00 0.43 C ATOM 1294 CG GLU A 82 7.552 1.066 -1.869 1.00 0.46 C ATOM 1295 CD GLU A 82 8.487 -0.012 -2.383 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.062 -0.746 -1.553 1.00 1.39 O ATOM 1297 OE2 GLU A 82 8.643 -0.121 -3.618 1.00 1.47 O ATOM 0 H GLU A 82 4.765 1.001 -3.194 1.00 0.41 H new ATOM 0 HA GLU A 82 6.378 -1.277 -2.472 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.575 1.297 -1.082 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.527 0.063 -0.280 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.284 1.732 -2.689 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.072 1.670 -1.125 1.00 0.46 H new ATOM 1304 N LEU A 83 3.706 -0.593 -0.652 1.00 0.34 N ATOM 1305 CA LEU A 83 2.682 -1.194 0.190 1.00 0.35 C ATOM 1306 C LEU A 83 2.063 -2.393 -0.504 1.00 0.35 C ATOM 1307 O LEU A 83 1.553 -3.310 0.142 1.00 0.43 O ATOM 1308 CB LEU A 83 1.619 -0.157 0.543 1.00 0.43 C ATOM 1309 CG LEU A 83 1.987 0.748 1.719 1.00 0.50 C ATOM 1310 CD1 LEU A 83 1.172 2.032 1.696 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.788 0.008 3.034 1.00 1.31 C ATOM 0 H LEU A 83 3.648 0.423 -0.728 1.00 0.34 H new ATOM 0 HA LEU A 83 3.143 -1.541 1.115 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.430 0.464 -0.332 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.688 -0.673 0.775 1.00 0.43 H new ATOM 0 HG LEU A 83 3.039 1.019 1.627 1.00 0.50 H new ATOM 0 HD11 LEU A 83 1.454 2.657 2.543 1.00 1.26 H new ATOM 0 HD12 LEU A 83 1.366 2.570 0.768 1.00 1.26 H new ATOM 0 HD13 LEU A 83 0.111 1.791 1.760 1.00 1.26 H new ATOM 0 HD21 LEU A 83 2.053 0.663 3.864 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.744 -0.292 3.128 1.00 1.31 H new ATOM 0 HD23 LEU A 83 2.423 -0.877 3.053 1.00 1.31 H new ATOM 1323 N ALA A 84 2.112 -2.376 -1.829 1.00 0.34 N ATOM 1324 CA ALA A 84 1.587 -3.477 -2.612 1.00 0.37 C ATOM 1325 C ALA A 84 2.496 -4.702 -2.540 1.00 0.41 C ATOM 1326 O ALA A 84 2.018 -5.834 -2.569 1.00 0.48 O ATOM 1327 CB ALA A 84 1.391 -3.053 -4.049 1.00 0.42 C ATOM 0 H ALA A 84 2.509 -1.614 -2.379 1.00 0.34 H new ATOM 0 HA ALA A 84 0.622 -3.755 -2.188 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.996 -3.890 -4.625 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.688 -2.221 -4.090 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.347 -2.742 -4.470 1.00 0.42 H new ATOM 1333 N LYS A 85 3.812 -4.476 -2.448 1.00 0.42 N ATOM 1334 CA LYS A 85 4.788 -5.575 -2.344 1.00 0.51 C ATOM 1335 C LYS A 85 4.275 -6.640 -1.395 1.00 0.50 C ATOM 1336 O LYS A 85 4.595 -7.815 -1.520 1.00 0.67 O ATOM 1337 CB LYS A 85 6.136 -5.045 -1.846 1.00 0.62 C ATOM 1338 CG LYS A 85 6.730 -3.962 -2.730 1.00 1.18 C ATOM 1339 CD LYS A 85 7.724 -3.098 -1.971 1.00 1.42 C ATOM 1340 CE LYS A 85 8.818 -3.917 -1.307 1.00 1.55 C ATOM 1341 NZ LYS A 85 9.138 -3.409 0.057 1.00 2.69 N ATOM 0 H LYS A 85 4.228 -3.545 -2.443 1.00 0.42 H new ATOM 0 HA LYS A 85 4.924 -6.012 -3.333 1.00 0.51 H new ATOM 0 HB2 LYS A 85 6.011 -4.651 -0.837 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.840 -5.874 -1.779 1.00 0.62 H new ATOM 0 HG2 LYS A 85 7.226 -4.422 -3.585 1.00 1.18 H new ATOM 0 HG3 LYS A 85 5.930 -3.335 -3.125 1.00 1.18 H new ATOM 0 HD2 LYS A 85 8.176 -2.382 -2.657 1.00 1.42 H new ATOM 0 HD3 LYS A 85 7.195 -2.522 -1.212 1.00 1.42 H new ATOM 0 HE2 LYS A 85 8.504 -4.959 -1.243 1.00 1.55 H new ATOM 0 HE3 LYS A 85 9.716 -3.892 -1.924 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 9.194 -4.208 0.721 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 10.051 -2.911 0.037 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 8.393 -2.753 0.367 1.00 2.69 H new ATOM 1355 N GLU A 86 3.501 -6.195 -0.426 1.00 0.45 N ATOM 1356 CA GLU A 86 2.907 -7.077 0.555 1.00 0.45 C ATOM 1357 C GLU A 86 1.613 -7.687 0.028 1.00 0.44 C ATOM 1358 O GLU A 86 1.383 -8.889 0.146 1.00 0.46 O ATOM 1359 CB GLU A 86 2.652 -6.301 1.845 1.00 0.48 C ATOM 1360 CG GLU A 86 3.740 -5.307 2.151 1.00 0.98 C ATOM 1361 CD GLU A 86 5.101 -5.957 2.290 1.00 2.08 C ATOM 1362 OE1 GLU A 86 5.181 -7.044 2.895 1.00 2.91 O ATOM 1363 OE2 GLU A 86 6.086 -5.388 1.776 1.00 2.61 O ATOM 0 H GLU A 86 3.267 -5.211 -0.297 1.00 0.45 H new ATOM 0 HA GLU A 86 3.597 -7.896 0.759 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.699 -5.778 1.767 1.00 0.48 H new ATOM 0 HB3 GLU A 86 2.563 -7.003 2.674 1.00 0.48 H new ATOM 0 HG2 GLU A 86 3.778 -4.560 1.358 1.00 0.98 H new ATOM 0 HG3 GLU A 86 3.497 -4.781 3.074 1.00 0.98 H new ATOM 1370 N VAL A 87 0.780 -6.842 -0.569 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.509 -7.270 -1.098 1.00 0.46 C ATOM 1372 C VAL A 87 -0.377 -8.190 -2.314 1.00 0.47 C ATOM 1373 O VAL A 87 -1.158 -9.129 -2.474 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.388 -6.047 -1.464 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -2.654 -6.487 -2.189 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.737 -5.254 -0.213 1.00 0.81 C ATOM 0 H VAL A 87 0.977 -5.850 -0.699 1.00 0.44 H new ATOM 0 HA VAL A 87 -0.989 -7.843 -0.304 1.00 0.46 H new ATOM 0 HB VAL A 87 -0.819 -5.405 -2.136 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.255 -5.612 -2.436 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -2.385 -7.012 -3.105 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.229 -7.152 -1.545 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.355 -4.398 -0.485 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -2.286 -5.891 0.481 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.821 -4.904 0.263 1.00 0.81 H new ATOM 1386 N ARG A 88 0.600 -7.921 -3.161 1.00 0.50 N ATOM 1387 CA ARG A 88 0.794 -8.705 -4.379 1.00 0.52 C ATOM 1388 C ARG A 88 0.642 -10.210 -4.144 1.00 0.50 C ATOM 1389 O ARG A 88 -0.357 -10.802 -4.548 1.00 0.59 O ATOM 1390 CB ARG A 88 2.161 -8.384 -4.984 1.00 0.56 C ATOM 1391 CG ARG A 88 2.327 -8.875 -6.413 1.00 0.67 C ATOM 1392 CD ARG A 88 3.570 -8.289 -7.061 1.00 1.33 C ATOM 1393 NE ARG A 88 3.492 -6.835 -7.179 1.00 1.83 N ATOM 1394 CZ ARG A 88 4.265 -6.118 -7.987 1.00 2.72 C ATOM 1395 NH1 ARG A 88 5.171 -6.718 -8.747 1.00 3.25 N ATOM 1396 NH2 ARG A 88 4.134 -4.799 -8.037 1.00 3.50 N ATOM 0 H ARG A 88 1.274 -7.167 -3.033 1.00 0.50 H new ATOM 0 HA ARG A 88 0.008 -8.424 -5.081 1.00 0.52 H new ATOM 0 HB2 ARG A 88 2.315 -7.305 -4.960 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.937 -8.831 -4.363 1.00 0.56 H new ATOM 0 HG2 ARG A 88 2.390 -9.963 -6.420 1.00 0.67 H new ATOM 0 HG3 ARG A 88 1.448 -8.603 -6.997 1.00 0.67 H new ATOM 0 HD2 ARG A 88 4.447 -8.558 -6.472 1.00 1.33 H new ATOM 0 HD3 ARG A 88 3.704 -8.726 -8.050 1.00 1.33 H new ATOM 0 HE ARG A 88 2.805 -6.342 -6.608 1.00 1.83 H new ATOM 0 HH11 ARG A 88 5.275 -7.732 -8.712 1.00 3.25 H new ATOM 0 HH12 ARG A 88 5.763 -6.165 -9.367 1.00 3.25 H new ATOM 0 HH21 ARG A 88 3.439 -4.333 -7.454 1.00 3.50 H new ATOM 0 HH22 ARG A 88 4.729 -4.251 -8.658 1.00 3.50 H new ATOM 1410 N LYS A 89 1.622 -10.824 -3.496 1.00 0.47 N ATOM 1411 CA LYS A 89 1.567 -12.258 -3.224 1.00 0.49 C ATOM 1412 C LYS A 89 0.411 -12.556 -2.294 1.00 0.49 C ATOM 1413 O LYS A 89 -0.198 -13.625 -2.350 1.00 0.55 O ATOM 1414 CB LYS A 89 2.869 -12.761 -2.596 1.00 0.56 C ATOM 1415 CG LYS A 89 3.260 -12.030 -1.321 1.00 0.70 C ATOM 1416 CD LYS A 89 4.651 -11.437 -1.425 1.00 1.55 C ATOM 1417 CE LYS A 89 4.744 -10.301 -2.432 1.00 2.44 C ATOM 1418 NZ LYS A 89 4.819 -10.787 -3.837 1.00 3.29 N ATOM 0 H LYS A 89 2.460 -10.358 -3.150 1.00 0.47 H new ATOM 0 HA LYS A 89 1.426 -12.775 -4.173 1.00 0.49 H new ATOM 0 HB2 LYS A 89 2.769 -13.824 -2.378 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.675 -12.660 -3.323 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.540 -11.237 -1.119 1.00 0.70 H new ATOM 0 HG3 LYS A 89 3.219 -12.720 -0.478 1.00 0.70 H new ATOM 0 HD2 LYS A 89 4.957 -11.071 -0.445 1.00 1.55 H new ATOM 0 HD3 LYS A 89 5.353 -12.222 -1.706 1.00 1.55 H new ATOM 0 HE2 LYS A 89 3.876 -9.651 -2.322 1.00 2.44 H new ATOM 0 HE3 LYS A 89 5.624 -9.697 -2.213 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 5.350 -10.103 -4.413 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 5.302 -11.708 -3.861 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 3.858 -10.891 -4.220 1.00 3.29 H new ATOM 1432 N GLU A 90 0.116 -11.590 -1.440 1.00 0.47 N ATOM 1433 CA GLU A 90 -0.966 -11.717 -0.491 1.00 0.52 C ATOM 1434 C GLU A 90 -2.321 -11.784 -1.200 1.00 0.55 C ATOM 1435 O GLU A 90 -3.335 -12.093 -0.578 1.00 0.62 O ATOM 1436 CB GLU A 90 -0.907 -10.561 0.510 1.00 0.55 C ATOM 1437 CG GLU A 90 0.143 -10.767 1.586 1.00 0.62 C ATOM 1438 CD GLU A 90 -0.075 -12.038 2.381 1.00 1.26 C ATOM 1439 OE1 GLU A 90 -0.883 -12.011 3.333 1.00 1.95 O ATOM 1440 OE2 GLU A 90 0.563 -13.060 2.054 1.00 1.97 O ATOM 0 H GLU A 90 0.618 -10.704 -1.389 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.852 -12.654 0.055 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.696 -9.635 -0.024 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -1.884 -10.443 0.980 1.00 0.55 H new ATOM 0 HG2 GLU A 90 1.130 -10.797 1.124 1.00 0.62 H new ATOM 0 HG3 GLU A 90 0.135 -9.914 2.264 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.337 -11.504 -2.508 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.574 -11.565 -3.279 1.00 0.61 C ATOM 1449 C LYS A 91 -4.139 -12.977 -3.261 1.00 0.63 C ATOM 1450 O LYS A 91 -5.315 -13.188 -2.963 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.344 -11.093 -4.720 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.649 -12.111 -5.610 1.00 0.61 C ATOM 1453 CD LYS A 91 -2.367 -11.540 -6.989 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.753 -12.581 -7.909 1.00 0.70 C ATOM 1455 NZ LYS A 91 -1.430 -12.015 -9.250 1.00 1.38 N ATOM 0 H LYS A 91 -1.513 -11.236 -3.047 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.299 -10.895 -2.817 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.306 -10.837 -5.164 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.749 -10.180 -4.700 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.714 -12.424 -5.146 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -3.272 -13.001 -5.703 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.294 -11.168 -7.426 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.692 -10.689 -6.900 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.845 -12.978 -7.454 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -2.443 -13.417 -8.024 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -1.013 -12.756 -9.848 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -2.300 -11.659 -9.695 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -0.751 -11.234 -9.143 1.00 1.38 H new ATOM 1469 N ALA A 92 -3.290 -13.939 -3.584 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.685 -15.340 -3.599 1.00 0.66 C ATOM 1471 C ALA A 92 -3.653 -15.931 -2.205 1.00 0.64 C ATOM 1472 O ALA A 92 -4.637 -16.507 -1.749 1.00 0.70 O ATOM 1473 CB ALA A 92 -2.791 -16.134 -4.541 1.00 0.75 C ATOM 0 H ALA A 92 -2.317 -13.775 -3.841 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.711 -15.399 -3.963 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -3.100 -17.179 -4.541 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -2.877 -15.731 -5.550 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -1.756 -16.061 -4.208 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.527 -15.779 -1.523 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.397 -16.319 -0.176 1.00 0.66 C ATOM 1481 C LEU A 93 -3.532 -15.829 0.708 1.00 0.59 C ATOM 1482 O LEU A 93 -3.893 -16.476 1.690 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.049 -15.956 0.440 1.00 0.75 C ATOM 1484 CG LEU A 93 -0.821 -16.551 1.827 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.645 -16.907 2.022 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -1.282 -15.583 2.907 1.00 0.95 C ATOM 0 H LEU A 93 -1.701 -15.294 -1.873 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.452 -17.405 -0.247 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.254 -16.295 -0.225 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -0.970 -14.871 0.504 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.411 -17.464 1.909 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.788 -17.330 3.017 1.00 1.03 H new ATOM 0 HD12 LEU A 93 0.945 -17.638 1.271 1.00 1.03 H new ATOM 0 HD13 LEU A 93 1.254 -16.009 1.919 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -1.111 -16.025 3.889 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -0.720 -14.652 2.825 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -2.345 -15.377 2.782 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.094 -14.680 0.353 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.203 -14.139 1.110 1.00 0.52 C ATOM 1500 C GLY A 94 -6.305 -15.138 1.280 1.00 0.52 C ATOM 1501 O GLY A 94 -7.110 -15.032 2.203 1.00 0.57 O ATOM 0 H GLY A 94 -3.801 -14.115 -0.444 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -4.851 -13.817 2.090 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -5.590 -13.254 0.604 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.355 -16.098 0.368 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.395 -17.109 0.392 1.00 0.57 C ATOM 1507 C ILE A 95 -7.304 -18.022 1.606 1.00 0.61 C ATOM 1508 O ILE A 95 -7.135 -19.230 1.481 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.386 -17.938 -0.905 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.110 -18.798 -1.001 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -7.526 -17.001 -2.093 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -5.769 -19.261 -2.405 1.00 1.68 C ATOM 0 H ILE A 95 -5.687 -16.196 -0.396 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.342 -16.575 0.466 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.229 -18.629 -0.903 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -5.270 -18.226 -0.607 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -6.228 -19.673 -0.362 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -7.520 -17.581 -3.016 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -8.464 -16.452 -2.015 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -6.694 -16.297 -2.101 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -4.858 -19.859 -2.380 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -6.588 -19.863 -2.798 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -5.616 -18.394 -3.047 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.421 -17.437 2.791 1.00 0.64 N ATOM 1525 CA ARG A 96 -7.400 -18.218 4.010 1.00 0.74 C ATOM 1526 C ARG A 96 -8.523 -19.250 3.953 1.00 0.82 C ATOM 1527 O ARG A 96 -8.490 -20.264 4.650 1.00 0.93 O ATOM 1528 CB ARG A 96 -7.565 -17.309 5.227 1.00 0.84 C ATOM 1529 CG ARG A 96 -6.379 -16.387 5.465 1.00 1.65 C ATOM 1530 CD ARG A 96 -5.091 -17.169 5.656 1.00 2.45 C ATOM 1531 NE ARG A 96 -3.961 -16.296 5.962 1.00 2.91 N ATOM 1532 CZ ARG A 96 -2.812 -16.727 6.472 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -2.644 -18.016 6.733 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -1.832 -15.870 6.722 1.00 4.48 N ATOM 0 H ARG A 96 -7.530 -16.432 2.929 1.00 0.64 H new ATOM 0 HA ARG A 96 -6.442 -18.729 4.102 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -8.464 -16.705 5.100 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -7.718 -17.926 6.112 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -6.271 -15.707 4.620 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -6.566 -15.773 6.346 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -5.221 -17.890 6.463 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -4.875 -17.738 4.752 1.00 2.45 H new ATOM 0 HE ARG A 96 -4.059 -15.298 5.774 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -3.397 -18.677 6.542 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -1.762 -18.346 7.124 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -1.959 -14.878 6.523 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -0.951 -16.203 7.113 1.00 4.48 H new ATOM 1548 N LYS A 97 -9.525 -18.973 3.109 1.00 0.83 N ATOM 1549 CA LYS A 97 -10.646 -19.879 2.924 1.00 0.95 C ATOM 1550 C LYS A 97 -10.321 -20.867 1.807 1.00 0.94 C ATOM 1551 O LYS A 97 -10.713 -20.669 0.656 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.932 -19.108 2.568 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.892 -17.607 2.860 1.00 0.99 C ATOM 1554 CD LYS A 97 -11.591 -17.326 4.322 1.00 1.56 C ATOM 1555 CE LYS A 97 -10.996 -15.940 4.507 1.00 1.85 C ATOM 1556 NZ LYS A 97 -10.900 -15.563 5.943 1.00 2.92 N ATOM 0 H LYS A 97 -9.574 -18.124 2.546 1.00 0.83 H new ATOM 0 HA LYS A 97 -10.814 -20.412 3.860 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -12.140 -19.250 1.508 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -12.764 -19.547 3.118 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -11.134 -17.135 2.235 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -12.849 -17.159 2.593 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -12.507 -17.412 4.907 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -10.898 -18.076 4.703 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -10.004 -15.908 4.056 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -11.609 -15.209 3.980 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -10.489 -14.611 6.025 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -11.849 -15.568 6.368 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -10.294 -16.246 6.441 1.00 2.92 H new ATOM 1570 N LYS A 98 -9.595 -21.924 2.153 1.00 0.97 N ATOM 1571 CA LYS A 98 -9.212 -22.942 1.180 1.00 1.06 C ATOM 1572 C LYS A 98 -9.943 -24.254 1.445 1.00 1.22 C ATOM 1573 O LYS A 98 -9.428 -25.068 2.240 1.00 1.61 O ATOM 1574 CB LYS A 98 -7.696 -23.165 1.215 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.903 -22.059 0.532 1.00 1.07 C ATOM 1576 CD LYS A 98 -6.616 -22.395 -0.923 1.00 1.51 C ATOM 1577 CE LYS A 98 -7.900 -22.530 -1.727 1.00 2.00 C ATOM 1578 NZ LYS A 98 -7.630 -22.824 -3.162 1.00 2.74 N ATOM 1579 OXT LYS A 98 -11.025 -24.458 0.854 1.00 1.70 O ATOM 0 H LYS A 98 -9.259 -22.099 3.100 1.00 0.97 H new ATOM 0 HA LYS A 98 -9.496 -22.588 0.189 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -7.373 -23.245 2.253 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -7.466 -24.116 0.735 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -7.460 -21.124 0.587 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -5.964 -21.903 1.062 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -5.991 -21.617 -1.361 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -6.051 -23.326 -0.978 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -8.512 -23.326 -1.303 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -8.476 -21.608 -1.648 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -8.531 -22.908 -3.675 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -7.068 -22.052 -3.575 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -7.102 -23.717 -3.240 1.00 2.74 H new ATOM 1594 N MET B 1 18.135 -4.137 -2.847 1.00 0.65 N ATOM 1595 CA MET B 1 17.461 -5.441 -3.086 1.00 0.59 C ATOM 1596 C MET B 1 16.147 -5.233 -3.823 1.00 0.59 C ATOM 1597 O MET B 1 15.773 -4.102 -4.134 1.00 0.60 O ATOM 1598 CB MET B 1 17.216 -6.155 -1.755 1.00 0.58 C ATOM 1599 CG MET B 1 18.335 -7.113 -1.324 1.00 0.60 C ATOM 1600 SD MET B 1 19.994 -6.627 -1.867 1.00 0.94 S ATOM 1601 CE MET B 1 21.012 -7.716 -0.878 1.00 1.18 C ATOM 0 H1 MET B 1 19.101 -4.304 -2.499 1.00 0.65 H new ATOM 0 H2 MET B 1 18.176 -3.599 -3.736 1.00 0.65 H new ATOM 0 H3 MET B 1 17.601 -3.595 -2.139 1.00 0.65 H new ATOM 0 HA MET B 1 18.109 -6.061 -3.705 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.079 -5.405 -0.976 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.284 -6.716 -1.825 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.331 -7.190 -0.237 1.00 0.60 H new ATOM 0 HG3 MET B 1 18.115 -8.107 -1.715 1.00 0.60 H new ATOM 0 HE1 MET B 1 22.057 -7.598 -1.165 1.00 1.18 H new ATOM 0 HE2 MET B 1 20.895 -7.466 0.176 1.00 1.18 H new ATOM 0 HE3 MET B 1 20.706 -8.749 -1.042 1.00 1.18 H new ATOM 1613 N ALA B 2 15.447 -6.323 -4.101 1.00 0.61 N ATOM 1614 CA ALA B 2 14.184 -6.240 -4.816 1.00 0.64 C ATOM 1615 C ALA B 2 13.004 -6.584 -3.933 1.00 0.62 C ATOM 1616 O ALA B 2 13.152 -7.216 -2.890 1.00 0.71 O ATOM 1617 CB ALA B 2 14.191 -7.144 -6.039 1.00 0.72 C ATOM 0 H ALA B 2 15.730 -7.269 -3.844 1.00 0.61 H new ATOM 0 HA ALA B 2 14.073 -5.204 -5.136 1.00 0.64 H new ATOM 0 HB1 ALA B 2 13.235 -7.064 -6.556 1.00 0.72 H new ATOM 0 HB2 ALA B 2 14.994 -6.841 -6.711 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.349 -8.176 -5.727 1.00 0.72 H new ATOM 1623 N ALA B 3 11.827 -6.156 -4.367 1.00 0.73 N ATOM 1624 CA ALA B 3 10.608 -6.427 -3.634 1.00 0.75 C ATOM 1625 C ALA B 3 10.036 -7.769 -4.046 1.00 0.65 C ATOM 1626 O ALA B 3 9.063 -7.841 -4.797 1.00 0.81 O ATOM 1627 CB ALA B 3 9.590 -5.329 -3.870 1.00 1.04 C ATOM 0 H ALA B 3 11.695 -5.619 -5.224 1.00 0.73 H new ATOM 0 HA ALA B 3 10.844 -6.457 -2.570 1.00 0.75 H new ATOM 0 HB1 ALA B 3 8.681 -5.550 -3.311 1.00 1.04 H new ATOM 0 HB2 ALA B 3 9.999 -4.376 -3.535 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.357 -5.271 -4.933 1.00 1.04 H new ATOM 1633 N GLU B 4 10.654 -8.830 -3.558 1.00 0.62 N ATOM 1634 CA GLU B 4 10.202 -10.177 -3.874 1.00 0.75 C ATOM 1635 C GLU B 4 8.911 -10.490 -3.125 1.00 0.74 C ATOM 1636 O GLU B 4 7.819 -10.247 -3.639 1.00 0.86 O ATOM 1637 CB GLU B 4 11.275 -11.224 -3.554 1.00 0.97 C ATOM 1638 CG GLU B 4 12.195 -10.843 -2.409 1.00 1.45 C ATOM 1639 CD GLU B 4 12.700 -12.042 -1.643 1.00 2.42 C ATOM 1640 OE1 GLU B 4 11.882 -12.701 -0.967 1.00 3.20 O ATOM 1641 OE2 GLU B 4 13.915 -12.321 -1.718 1.00 3.02 O ATOM 0 H GLU B 4 11.467 -8.788 -2.944 1.00 0.62 H new ATOM 0 HA GLU B 4 10.010 -10.220 -4.946 1.00 0.75 H new ATOM 0 HB2 GLU B 4 10.785 -12.168 -3.313 1.00 0.97 H new ATOM 0 HB3 GLU B 4 11.876 -11.396 -4.447 1.00 0.97 H new ATOM 0 HG2 GLU B 4 13.044 -10.284 -2.802 1.00 1.45 H new ATOM 0 HG3 GLU B 4 11.664 -10.179 -1.727 1.00 1.45 H new ATOM 1648 N THR B 5 9.028 -11.028 -1.910 1.00 0.70 N ATOM 1649 CA THR B 5 7.846 -11.353 -1.126 1.00 0.75 C ATOM 1650 C THR B 5 7.382 -10.173 -0.255 1.00 0.62 C ATOM 1651 O THR B 5 7.658 -9.016 -0.573 1.00 0.79 O ATOM 1652 CB THR B 5 8.079 -12.596 -0.252 1.00 0.92 C ATOM 1653 OG1 THR B 5 9.145 -13.385 -0.792 1.00 1.42 O ATOM 1654 CG2 THR B 5 6.808 -13.431 -0.188 1.00 1.08 C ATOM 0 H THR B 5 9.916 -11.243 -1.457 1.00 0.70 H new ATOM 0 HA THR B 5 7.052 -11.571 -1.840 1.00 0.75 H new ATOM 0 HB THR B 5 8.348 -12.272 0.753 1.00 0.92 H new ATOM 0 HG1 THR B 5 10.004 -12.964 -0.579 1.00 1.42 H new ATOM 0 HG21 THR B 5 6.981 -14.310 0.433 1.00 1.08 H new ATOM 0 HG22 THR B 5 6.003 -12.836 0.242 1.00 1.08 H new ATOM 0 HG23 THR B 5 6.529 -13.746 -1.193 1.00 1.08 H new ATOM 1662 N LEU B 6 6.673 -10.473 0.844 1.00 0.54 N ATOM 1663 CA LEU B 6 6.148 -9.450 1.735 1.00 0.50 C ATOM 1664 C LEU B 6 7.258 -8.793 2.542 1.00 0.49 C ATOM 1665 O LEU B 6 7.824 -9.404 3.446 1.00 0.56 O ATOM 1666 CB LEU B 6 5.131 -10.066 2.700 1.00 0.60 C ATOM 1667 CG LEU B 6 3.762 -10.406 2.115 1.00 0.75 C ATOM 1668 CD1 LEU B 6 3.687 -11.879 1.748 1.00 1.15 C ATOM 1669 CD2 LEU B 6 2.670 -10.053 3.111 1.00 1.07 C ATOM 0 H LEU B 6 6.454 -11.427 1.131 1.00 0.54 H new ATOM 0 HA LEU B 6 5.668 -8.691 1.118 1.00 0.50 H new ATOM 0 HB2 LEU B 6 5.562 -10.977 3.115 1.00 0.60 H new ATOM 0 HB3 LEU B 6 4.986 -9.375 3.531 1.00 0.60 H new ATOM 0 HG LEU B 6 3.616 -9.820 1.207 1.00 0.75 H new ATOM 0 HD11 LEU B 6 2.704 -12.101 1.333 1.00 1.15 H new ATOM 0 HD12 LEU B 6 4.454 -12.109 1.008 1.00 1.15 H new ATOM 0 HD13 LEU B 6 3.850 -12.485 2.639 1.00 1.15 H new ATOM 0 HD21 LEU B 6 1.697 -10.299 2.686 1.00 1.07 H new ATOM 0 HD22 LEU B 6 2.818 -10.620 4.030 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.711 -8.987 3.333 1.00 1.07 H new ATOM 1681 N THR B 7 7.565 -7.549 2.222 1.00 0.50 N ATOM 1682 CA THR B 7 8.595 -6.824 2.943 1.00 0.53 C ATOM 1683 C THR B 7 8.039 -6.298 4.253 1.00 0.48 C ATOM 1684 O THR B 7 6.852 -6.430 4.514 1.00 0.55 O ATOM 1685 CB THR B 7 9.143 -5.661 2.102 1.00 0.60 C ATOM 1686 OG1 THR B 7 8.724 -5.806 0.742 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.658 -5.612 2.157 1.00 0.80 C ATOM 0 H THR B 7 7.118 -7.022 1.472 1.00 0.50 H new ATOM 0 HA THR B 7 9.415 -7.512 3.149 1.00 0.53 H new ATOM 0 HB THR B 7 8.750 -4.732 2.515 1.00 0.60 H new ATOM 0 HG1 THR B 7 7.806 -5.478 0.646 1.00 0.83 H new ATOM 0 HG21 THR B 7 11.017 -4.779 1.553 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.980 -5.477 3.189 1.00 0.80 H new ATOM 0 HG23 THR B 7 11.067 -6.545 1.769 1.00 0.80 H new ATOM 1695 N GLU B 8 8.887 -5.678 5.069 1.00 0.46 N ATOM 1696 CA GLU B 8 8.453 -5.153 6.370 1.00 0.45 C ATOM 1697 C GLU B 8 7.090 -4.468 6.269 1.00 0.41 C ATOM 1698 O GLU B 8 6.321 -4.435 7.229 1.00 0.42 O ATOM 1699 CB GLU B 8 9.470 -4.152 6.923 1.00 0.50 C ATOM 1700 CG GLU B 8 10.921 -4.525 6.665 1.00 0.52 C ATOM 1701 CD GLU B 8 11.234 -5.959 7.047 1.00 1.09 C ATOM 1702 OE1 GLU B 8 11.608 -6.194 8.215 1.00 1.94 O ATOM 1703 OE2 GLU B 8 11.103 -6.847 6.179 1.00 1.67 O ATOM 0 H GLU B 8 9.873 -5.525 4.859 1.00 0.46 H new ATOM 0 HA GLU B 8 8.375 -6.005 7.046 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.275 -3.174 6.483 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.318 -4.054 7.998 1.00 0.50 H new ATOM 0 HG2 GLU B 8 11.148 -4.377 5.609 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.570 -3.854 7.227 1.00 0.52 H new ATOM 1710 N LEU B 9 6.813 -3.927 5.094 1.00 0.41 N ATOM 1711 CA LEU B 9 5.561 -3.234 4.828 1.00 0.40 C ATOM 1712 C LEU B 9 4.340 -4.102 5.083 1.00 0.38 C ATOM 1713 O LEU B 9 3.262 -3.581 5.366 1.00 0.40 O ATOM 1714 CB LEU B 9 5.566 -2.749 3.382 1.00 0.46 C ATOM 1715 CG LEU B 9 6.890 -2.140 2.908 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.679 -1.339 1.639 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.519 -1.279 3.998 1.00 0.93 C ATOM 0 H LEU B 9 7.449 -3.955 4.297 1.00 0.41 H new ATOM 0 HA LEU B 9 5.492 -2.393 5.517 1.00 0.40 H new ATOM 0 HB2 LEU B 9 5.316 -3.588 2.732 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.778 -2.006 3.261 1.00 0.46 H new ATOM 0 HG LEU B 9 7.581 -2.954 2.690 1.00 0.58 H new ATOM 0 HD11 LEU B 9 7.629 -0.913 1.315 1.00 0.93 H new ATOM 0 HD12 LEU B 9 6.289 -1.991 0.858 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.967 -0.536 1.830 1.00 0.93 H new ATOM 0 HD21 LEU B 9 8.457 -0.860 3.634 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.838 -0.470 4.261 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.713 -1.891 4.879 1.00 0.93 H new ATOM 1729 N GLU B 10 4.485 -5.422 4.989 1.00 0.38 N ATOM 1730 CA GLU B 10 3.344 -6.302 5.222 1.00 0.39 C ATOM 1731 C GLU B 10 2.760 -6.011 6.594 1.00 0.38 C ATOM 1732 O GLU B 10 1.549 -6.056 6.789 1.00 0.40 O ATOM 1733 CB GLU B 10 3.734 -7.772 5.110 1.00 0.45 C ATOM 1734 CG GLU B 10 5.121 -8.061 5.645 1.00 0.45 C ATOM 1735 CD GLU B 10 5.146 -9.224 6.617 1.00 0.55 C ATOM 1736 OE1 GLU B 10 4.712 -9.041 7.774 1.00 1.26 O ATOM 1737 OE2 GLU B 10 5.602 -10.316 6.223 1.00 1.16 O ATOM 0 H GLU B 10 5.358 -5.896 4.759 1.00 0.38 H new ATOM 0 HA GLU B 10 2.595 -6.108 4.454 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.008 -8.377 5.654 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.684 -8.077 4.065 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.789 -8.276 4.811 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.507 -7.170 6.141 1.00 0.45 H new ATOM 1744 N ALA B 11 3.635 -5.700 7.548 1.00 0.39 N ATOM 1745 CA ALA B 11 3.194 -5.359 8.891 1.00 0.39 C ATOM 1746 C ALA B 11 2.212 -4.206 8.808 1.00 0.36 C ATOM 1747 O ALA B 11 1.277 -4.099 9.601 1.00 0.39 O ATOM 1748 CB ALA B 11 4.379 -4.987 9.769 1.00 0.42 C ATOM 0 H ALA B 11 4.646 -5.678 7.414 1.00 0.39 H new ATOM 0 HA ALA B 11 2.706 -6.223 9.341 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.026 -4.736 10.769 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.067 -5.830 9.828 1.00 0.42 H new ATOM 0 HB3 ALA B 11 4.895 -4.128 9.340 1.00 0.42 H new ATOM 1754 N ALA B 12 2.443 -3.342 7.825 1.00 0.33 N ATOM 1755 CA ALA B 12 1.578 -2.203 7.590 1.00 0.32 C ATOM 1756 C ALA B 12 0.249 -2.675 7.022 1.00 0.33 C ATOM 1757 O ALA B 12 -0.789 -2.050 7.234 1.00 0.34 O ATOM 1758 CB ALA B 12 2.244 -1.212 6.647 1.00 0.34 C ATOM 0 H ALA B 12 3.228 -3.414 7.178 1.00 0.33 H new ATOM 0 HA ALA B 12 1.395 -1.696 8.537 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.580 -0.364 6.482 1.00 0.34 H new ATOM 0 HB2 ALA B 12 3.178 -0.862 7.087 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.453 -1.700 5.695 1.00 0.34 H new ATOM 1764 N ILE B 13 0.292 -3.789 6.296 1.00 0.36 N ATOM 1765 CA ILE B 13 -0.911 -4.356 5.712 1.00 0.40 C ATOM 1766 C ILE B 13 -1.950 -4.593 6.810 1.00 0.39 C ATOM 1767 O ILE B 13 -3.154 -4.576 6.561 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.602 -5.672 4.931 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.497 -5.772 3.695 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -0.759 -6.926 5.796 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -2.971 -5.844 4.024 1.00 2.05 C ATOM 0 H ILE B 13 1.146 -4.312 6.101 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.316 -3.647 4.989 1.00 0.40 H new ATOM 0 HB ILE B 13 0.444 -5.623 4.628 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.317 -4.908 3.055 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.216 -6.657 3.123 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.531 -7.810 5.200 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -0.074 -6.873 6.642 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -1.784 -6.989 6.162 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -3.547 -5.913 3.101 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -3.164 -6.723 4.639 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.266 -4.948 4.569 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.453 -4.812 8.030 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.305 -5.058 9.185 1.00 0.42 C ATOM 1785 C GLU B 14 -3.175 -3.848 9.509 1.00 0.38 C ATOM 1786 O GLU B 14 -4.335 -4.001 9.891 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.452 -5.424 10.402 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.746 -6.765 10.275 1.00 0.79 C ATOM 1789 CD GLU B 14 -1.716 -7.924 10.143 1.00 1.46 C ATOM 1790 OE1 GLU B 14 -2.184 -8.428 11.186 1.00 2.25 O ATOM 1791 OE2 GLU B 14 -2.007 -8.326 8.997 1.00 2.02 O ATOM 0 H GLU B 14 -0.455 -4.823 8.239 1.00 0.39 H new ATOM 0 HA GLU B 14 -2.964 -5.891 8.938 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.706 -4.645 10.559 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -2.087 -5.441 11.288 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -0.089 -6.745 9.405 1.00 0.79 H new ATOM 0 HG3 GLU B 14 -0.114 -6.923 11.149 1.00 0.79 H new ATOM 1798 N THR B 15 -2.625 -2.643 9.362 1.00 0.30 N ATOM 1799 CA THR B 15 -3.378 -1.447 9.646 1.00 0.28 C ATOM 1800 C THR B 15 -4.461 -1.250 8.599 1.00 0.28 C ATOM 1801 O THR B 15 -5.651 -1.214 8.902 1.00 0.34 O ATOM 1802 CB THR B 15 -2.473 -0.204 9.675 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.452 -0.358 10.669 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.284 1.052 9.961 1.00 0.32 C ATOM 0 H THR B 15 -1.667 -2.481 9.050 1.00 0.30 H new ATOM 0 HA THR B 15 -3.830 -1.570 10.630 1.00 0.28 H new ATOM 0 HB THR B 15 -2.008 -0.101 8.694 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.891 0.445 10.688 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.621 1.917 9.976 1.00 0.32 H new ATOM 0 HG22 THR B 15 -4.036 1.185 9.183 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.776 0.955 10.929 1.00 0.32 H new ATOM 1812 N VAL B 16 -4.021 -1.138 7.360 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.912 -0.952 6.224 1.00 0.28 C ATOM 1814 C VAL B 16 -5.991 -2.022 6.182 1.00 0.30 C ATOM 1815 O VAL B 16 -7.138 -1.742 5.835 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.100 -0.998 4.918 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.332 -2.307 4.831 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -4.996 -0.828 3.705 1.00 0.33 C ATOM 0 H VAL B 16 -3.033 -1.173 7.109 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.396 0.018 6.332 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.393 -0.168 4.927 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.760 -2.332 3.904 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.652 -2.387 5.679 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -4.033 -3.142 4.848 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.392 -0.865 2.798 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.734 -1.630 3.682 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.507 0.133 3.762 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.629 -3.245 6.535 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.586 -4.338 6.521 1.00 0.33 C ATOM 1830 C VAL B 17 -7.485 -4.296 7.751 1.00 0.30 C ATOM 1831 O VAL B 17 -8.684 -4.560 7.668 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.890 -5.709 6.438 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.156 -6.033 7.732 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.900 -6.796 6.104 1.00 0.50 C ATOM 0 H VAL B 17 -4.688 -3.504 6.832 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.196 -4.209 5.627 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.150 -5.666 5.639 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.675 -7.007 7.643 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.400 -5.271 7.922 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -5.867 -6.054 8.558 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.393 -7.759 6.049 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.665 -6.833 6.880 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.367 -6.576 5.144 1.00 0.50 H new ATOM 1844 N SER B 18 -6.894 -3.962 8.892 1.00 0.33 N ATOM 1845 CA SER B 18 -7.635 -3.891 10.144 1.00 0.40 C ATOM 1846 C SER B 18 -8.400 -2.574 10.281 1.00 0.44 C ATOM 1847 O SER B 18 -9.232 -2.427 11.173 1.00 0.59 O ATOM 1848 CB SER B 18 -6.687 -4.067 11.332 1.00 0.51 C ATOM 1849 OG SER B 18 -6.071 -5.344 11.308 1.00 1.32 O ATOM 0 H SER B 18 -5.903 -3.736 8.975 1.00 0.33 H new ATOM 0 HA SER B 18 -8.364 -4.701 10.136 1.00 0.40 H new ATOM 0 HB2 SER B 18 -5.922 -3.290 11.309 1.00 0.51 H new ATOM 0 HB3 SER B 18 -7.239 -3.944 12.264 1.00 0.51 H new ATOM 0 HG SER B 18 -5.248 -5.300 10.777 1.00 1.32 H new ATOM 1855 N THR B 19 -8.084 -1.597 9.442 1.00 0.37 N ATOM 1856 CA THR B 19 -8.777 -0.311 9.495 1.00 0.45 C ATOM 1857 C THR B 19 -10.072 -0.282 8.678 1.00 0.46 C ATOM 1858 O THR B 19 -11.145 -0.612 9.182 1.00 0.53 O ATOM 1859 CB THR B 19 -7.873 0.865 9.071 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.361 0.665 7.743 1.00 0.42 O ATOM 1861 CG2 THR B 19 -6.723 1.044 10.049 1.00 0.49 C ATOM 0 H THR B 19 -7.362 -1.665 8.724 1.00 0.37 H new ATOM 0 HA THR B 19 -9.044 -0.189 10.545 1.00 0.45 H new ATOM 0 HB THR B 19 -8.481 1.770 9.078 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.746 -0.098 7.741 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.100 1.879 9.729 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.120 1.248 11.044 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.124 0.134 10.077 1.00 0.49 H new ATOM 1869 N PHE B 20 -9.954 0.115 7.410 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.105 0.247 6.522 1.00 0.53 C ATOM 1871 C PHE B 20 -11.561 -1.085 5.965 1.00 0.53 C ATOM 1872 O PHE B 20 -12.759 -1.337 5.830 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.731 1.209 5.389 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.647 1.194 4.197 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -13.010 1.396 4.341 1.00 1.26 C ATOM 1876 CD2 PHE B 20 -11.134 0.989 2.926 1.00 1.59 C ATOM 1877 CE1 PHE B 20 -13.841 1.392 3.238 1.00 1.37 C ATOM 1878 CE2 PHE B 20 -11.960 0.983 1.822 1.00 1.77 C ATOM 1879 CZ PHE B 20 -13.314 1.185 1.977 1.00 1.18 C ATOM 0 H PHE B 20 -9.063 0.352 6.974 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.945 0.640 7.095 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.703 2.222 5.791 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.722 0.971 5.053 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.426 1.558 5.324 1.00 1.26 H new ATOM 0 HD2 PHE B 20 -10.073 0.832 2.799 1.00 1.59 H new ATOM 0 HE1 PHE B 20 -14.902 1.551 3.361 1.00 1.37 H new ATOM 0 HE2 PHE B 20 -11.546 0.820 0.838 1.00 1.77 H new ATOM 0 HZ PHE B 20 -13.963 1.182 1.114 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.614 -1.930 5.640 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.929 -3.211 5.073 1.00 0.47 C ATOM 1891 C PHE B 21 -11.768 -4.071 6.012 1.00 0.49 C ATOM 1892 O PHE B 21 -12.337 -5.076 5.596 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.638 -3.930 4.678 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.778 -3.195 3.687 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.177 -1.986 3.143 1.00 1.39 C ATOM 1896 CD2 PHE B 21 -7.556 -3.721 3.308 1.00 1.15 C ATOM 1897 CE1 PHE B 21 -8.374 -1.320 2.242 1.00 1.44 C ATOM 1898 CE2 PHE B 21 -6.748 -3.061 2.410 1.00 1.13 C ATOM 1899 CZ PHE B 21 -7.156 -1.857 1.874 1.00 0.53 C ATOM 0 H PHE B 21 -9.617 -1.750 5.760 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.536 -3.043 4.183 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -9.052 -4.114 5.579 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.895 -4.904 4.261 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.128 -1.560 3.428 1.00 1.39 H new ATOM 0 HD2 PHE B 21 -7.231 -4.664 3.723 1.00 1.15 H new ATOM 0 HE1 PHE B 21 -8.697 -0.378 1.824 1.00 1.44 H new ATOM 0 HE2 PHE B 21 -5.796 -3.485 2.126 1.00 1.13 H new ATOM 0 HZ PHE B 21 -6.525 -1.336 1.169 1.00 0.53 H new ATOM 1909 N THR B 22 -11.851 -3.686 7.273 1.00 0.48 N ATOM 1910 CA THR B 22 -12.661 -4.436 8.218 1.00 0.54 C ATOM 1911 C THR B 22 -14.132 -4.386 7.827 1.00 0.48 C ATOM 1912 O THR B 22 -14.944 -5.164 8.327 1.00 0.53 O ATOM 1913 CB THR B 22 -12.494 -3.906 9.643 1.00 0.65 C ATOM 1914 OG1 THR B 22 -12.914 -2.541 9.714 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.050 -4.022 10.066 1.00 0.81 C ATOM 0 H THR B 22 -11.376 -2.872 7.663 1.00 0.48 H new ATOM 0 HA THR B 22 -12.316 -5.469 8.190 1.00 0.54 H new ATOM 0 HB THR B 22 -13.113 -4.500 10.316 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.292 -1.980 9.205 1.00 0.66 H new ATOM 0 HG21 THR B 22 -10.937 -3.643 11.082 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.744 -5.068 10.033 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.425 -3.439 9.390 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.471 -3.463 6.928 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.839 -3.317 6.470 1.00 0.51 C ATOM 1925 C PHE B 23 -16.291 -4.564 5.707 1.00 0.44 C ATOM 1926 O PHE B 23 -17.481 -4.771 5.486 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.965 -1.989 5.690 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.173 -2.019 4.193 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.232 -2.676 3.582 1.00 1.46 C ATOM 1930 CD2 PHE B 23 -15.308 -1.292 3.399 1.00 1.48 C ATOM 1931 CE1 PHE B 23 -17.409 -2.601 2.215 1.00 1.93 C ATOM 1932 CE2 PHE B 23 -15.473 -1.224 2.038 1.00 1.88 C ATOM 1933 CZ PHE B 23 -16.526 -1.876 1.445 1.00 1.83 C ATOM 0 H PHE B 23 -13.812 -2.808 6.506 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.531 -3.248 7.310 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.797 -1.434 6.124 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -15.061 -1.411 5.882 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -17.923 -3.251 4.181 1.00 1.46 H new ATOM 0 HD2 PHE B 23 -14.484 -0.766 3.859 1.00 1.48 H new ATOM 0 HE1 PHE B 23 -18.240 -3.111 1.749 1.00 1.93 H new ATOM 0 HE2 PHE B 23 -14.777 -0.659 1.435 1.00 1.88 H new ATOM 0 HZ PHE B 23 -16.662 -1.820 0.375 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.333 -5.438 5.374 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.639 -6.692 4.682 1.00 0.59 C ATOM 1945 C ALA B 24 -16.869 -7.361 5.276 1.00 0.61 C ATOM 1946 O ALA B 24 -17.762 -7.812 4.558 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.457 -7.644 4.769 1.00 0.71 C ATOM 0 H ALA B 24 -14.342 -5.299 5.573 1.00 0.51 H new ATOM 0 HA ALA B 24 -15.841 -6.454 3.638 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.698 -8.572 4.251 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.585 -7.185 4.304 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -14.239 -7.859 5.815 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.895 -7.421 6.602 1.00 0.71 N ATOM 1954 CA GLY B 25 -18.013 -8.015 7.316 1.00 0.85 C ATOM 1955 C GLY B 25 -19.364 -7.705 6.691 1.00 0.74 C ATOM 1956 O GLY B 25 -20.305 -8.486 6.834 1.00 0.82 O ATOM 0 H GLY B 25 -16.152 -7.064 7.203 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.878 -9.096 7.353 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -18.007 -7.658 8.346 1.00 0.85 H new ATOM 1960 N ARG B 26 -19.477 -6.562 6.000 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.732 -6.197 5.332 1.00 0.59 C ATOM 1962 C ARG B 26 -21.278 -7.396 4.577 1.00 0.58 C ATOM 1963 O ARG B 26 -22.468 -7.708 4.635 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.510 -5.048 4.349 1.00 0.61 C ATOM 1965 CG ARG B 26 -20.245 -3.710 5.007 1.00 1.18 C ATOM 1966 CD ARG B 26 -21.508 -3.137 5.623 1.00 0.96 C ATOM 1967 NE ARG B 26 -21.886 -3.818 6.857 1.00 1.55 N ATOM 1968 CZ ARG B 26 -23.080 -3.698 7.427 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -24.002 -2.918 6.878 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -23.352 -4.354 8.546 1.00 2.82 N ATOM 0 H ARG B 26 -18.724 -5.882 5.890 1.00 0.61 H new ATOM 0 HA ARG B 26 -21.444 -5.879 6.094 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -19.668 -5.295 3.703 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -21.388 -4.958 3.709 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -19.483 -3.826 5.777 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -19.849 -3.012 4.269 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -21.360 -2.077 5.828 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -22.325 -3.212 4.905 1.00 0.96 H new ATOM 0 HE ARG B 26 -21.196 -4.419 7.307 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -23.794 -2.410 6.018 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -24.919 -2.826 7.316 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -22.644 -4.952 8.971 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -24.269 -4.260 8.982 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.380 -8.059 3.869 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.731 -9.259 3.116 1.00 0.57 C ATOM 1986 C GLU B 27 -20.661 -10.489 4.022 1.00 0.80 C ATOM 1987 O GLU B 27 -19.629 -10.769 4.631 1.00 1.26 O ATOM 1988 CB GLU B 27 -19.788 -9.439 1.926 1.00 0.97 C ATOM 1989 CG GLU B 27 -19.765 -8.249 0.982 1.00 0.85 C ATOM 1990 CD GLU B 27 -21.120 -7.972 0.363 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -21.898 -7.199 0.961 1.00 1.79 O ATOM 1992 OE2 GLU B 27 -21.404 -8.528 -0.719 1.00 1.63 O ATOM 0 H GLU B 27 -19.399 -7.789 3.797 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.749 -9.146 2.744 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -18.779 -9.617 2.297 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -20.085 -10.328 1.369 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -19.430 -7.365 1.525 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -19.038 -8.431 0.190 1.00 0.85 H new ATOM 1999 N GLY B 28 -21.773 -11.218 4.099 1.00 1.32 N ATOM 2000 CA GLY B 28 -21.850 -12.402 4.942 1.00 1.87 C ATOM 2001 C GLY B 28 -20.605 -13.261 4.908 1.00 1.35 C ATOM 2002 O GLY B 28 -19.761 -13.177 5.800 1.00 1.58 O ATOM 0 H GLY B 28 -22.630 -11.007 3.587 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -22.038 -12.092 5.970 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -22.703 -13.004 4.629 1.00 1.87 H new ATOM 2006 N ARG B 29 -20.491 -14.096 3.878 1.00 1.15 N ATOM 2007 CA ARG B 29 -19.346 -14.995 3.736 1.00 1.06 C ATOM 2008 C ARG B 29 -18.040 -14.294 4.090 1.00 1.14 C ATOM 2009 O ARG B 29 -17.968 -13.066 4.119 1.00 1.74 O ATOM 2010 CB ARG B 29 -19.270 -15.537 2.303 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.158 -16.557 2.075 1.00 1.76 C ATOM 2012 CD ARG B 29 -18.372 -17.810 2.909 1.00 2.36 C ATOM 2013 NE ARG B 29 -17.359 -18.825 2.634 1.00 2.88 N ATOM 2014 CZ ARG B 29 -17.395 -20.057 3.130 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -18.386 -20.423 3.932 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -16.439 -20.924 2.825 1.00 4.30 N ATOM 0 H ARG B 29 -21.178 -14.170 3.128 1.00 1.15 H new ATOM 0 HA ARG B 29 -19.488 -15.823 4.430 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -20.226 -15.996 2.050 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -19.126 -14.701 1.618 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -18.119 -16.824 1.019 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -17.196 -16.111 2.327 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -18.348 -17.550 3.967 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -19.361 -18.219 2.703 1.00 2.36 H new ATOM 0 HE ARG B 29 -16.579 -18.574 2.026 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -19.122 -19.758 4.169 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -18.412 -21.369 4.312 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -15.675 -20.645 2.209 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -16.467 -21.870 3.206 1.00 4.30 H new ATOM 2030 N LYS B 30 -17.012 -15.085 4.357 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.706 -14.548 4.697 1.00 1.49 C ATOM 2032 C LYS B 30 -14.826 -14.557 3.458 1.00 1.34 C ATOM 2033 O LYS B 30 -13.714 -15.079 3.472 1.00 1.66 O ATOM 2034 CB LYS B 30 -15.055 -15.386 5.798 1.00 2.04 C ATOM 2035 CG LYS B 30 -15.992 -15.714 6.947 1.00 2.66 C ATOM 2036 CD LYS B 30 -16.548 -14.452 7.586 1.00 3.51 C ATOM 2037 CE LYS B 30 -15.439 -13.588 8.162 1.00 4.01 C ATOM 2038 NZ LYS B 30 -15.972 -12.342 8.777 1.00 4.78 N ATOM 0 H LYS B 30 -17.059 -16.104 4.344 1.00 1.05 H new ATOM 0 HA LYS B 30 -15.823 -13.527 5.061 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -14.685 -16.316 5.365 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -14.190 -14.850 6.188 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -16.813 -16.332 6.584 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -15.460 -16.299 7.697 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -17.107 -13.882 6.844 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -17.249 -14.721 8.376 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -14.888 -14.156 8.911 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -14.732 -13.330 7.373 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -15.185 -11.779 9.159 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -16.477 -11.787 8.056 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -16.627 -12.587 9.546 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.351 -13.987 2.383 1.00 0.96 N ATOM 2053 CA GLY B 31 -14.611 -13.915 1.139 1.00 0.88 C ATOM 2054 C GLY B 31 -13.986 -12.582 0.982 1.00 0.81 C ATOM 2055 O GLY B 31 -12.799 -12.444 1.159 1.00 0.85 O ATOM 0 H GLY B 31 -16.282 -13.571 2.350 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -13.842 -14.688 1.121 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.279 -14.111 0.300 1.00 0.88 H new ATOM 2059 N SER B 32 -14.764 -11.595 0.639 1.00 0.74 N ATOM 2060 CA SER B 32 -14.205 -10.280 0.475 1.00 0.71 C ATOM 2061 C SER B 32 -15.121 -9.192 0.963 1.00 0.70 C ATOM 2062 O SER B 32 -16.248 -9.422 1.403 1.00 0.75 O ATOM 2063 CB SER B 32 -13.847 -10.021 -0.980 1.00 0.69 C ATOM 2064 OG SER B 32 -14.909 -10.398 -1.839 1.00 1.09 O ATOM 0 H SER B 32 -15.767 -11.670 0.470 1.00 0.74 H new ATOM 0 HA SER B 32 -13.304 -10.256 1.088 1.00 0.71 H new ATOM 0 HB2 SER B 32 -13.619 -8.964 -1.120 1.00 0.69 H new ATOM 0 HB3 SER B 32 -12.948 -10.578 -1.242 1.00 0.69 H new ATOM 0 HG SER B 32 -15.252 -9.605 -2.302 1.00 1.09 H new ATOM 2070 N LEU B 33 -14.587 -8.004 0.870 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.271 -6.792 1.240 1.00 0.74 C ATOM 2072 C LEU B 33 -15.827 -6.176 -0.023 1.00 0.57 C ATOM 2073 O LEU B 33 -15.304 -6.454 -1.097 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.273 -5.887 1.905 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.652 -4.425 2.059 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -13.887 -3.807 3.221 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -14.352 -3.690 0.771 1.00 1.69 C ATOM 0 H LEU B 33 -13.640 -7.847 0.526 1.00 0.72 H new ATOM 0 HA LEU B 33 -16.093 -6.971 1.933 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -14.063 -6.287 2.897 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.343 -5.936 1.338 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.718 -4.345 2.271 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -14.166 -2.758 3.323 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.131 -4.339 4.141 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -12.816 -3.881 3.032 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -14.624 -2.640 0.880 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -13.288 -3.768 0.547 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.928 -4.131 -0.042 1.00 1.69 H new ATOM 2089 N ASN B 34 -16.879 -5.364 0.054 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.452 -4.862 -1.185 1.00 0.47 C ATOM 2091 C ASN B 34 -17.337 -3.348 -1.342 1.00 0.41 C ATOM 2092 O ASN B 34 -16.238 -2.813 -1.465 1.00 0.56 O ATOM 2093 CB ASN B 34 -18.891 -5.377 -1.304 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.485 -5.142 -2.681 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -18.768 -5.110 -3.681 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -20.801 -4.979 -2.736 1.00 2.12 N ATOM 0 H ASN B 34 -17.331 -5.054 0.914 1.00 0.57 H new ATOM 0 HA ASN B 34 -16.868 -5.249 -2.020 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -18.910 -6.444 -1.082 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.512 -4.884 -0.556 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -21.258 -4.819 -3.634 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -21.355 -5.013 -1.880 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.457 -2.664 -1.418 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.441 -1.226 -1.576 1.00 0.54 C ATOM 2105 C ILE B 35 -19.552 -0.567 -0.780 1.00 0.56 C ATOM 2106 O ILE B 35 -20.032 0.507 -1.136 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.548 -0.823 -3.055 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -19.473 -1.782 -3.809 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -17.166 -0.806 -3.685 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -20.873 -1.841 -3.244 1.00 1.04 C ATOM 0 H ILE B 35 -19.388 -3.078 -1.373 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.484 -0.876 -1.189 1.00 0.54 H new ATOM 0 HB ILE B 35 -18.976 0.178 -3.118 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -19.525 -1.477 -4.854 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -19.040 -2.782 -3.789 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -17.248 -0.520 -4.734 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.536 -0.088 -3.161 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.721 -1.799 -3.614 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -21.472 -2.540 -3.828 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -20.833 -2.175 -2.207 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -21.325 -0.850 -3.289 1.00 1.04 H new ATOM 2122 N ASN B 36 -19.960 -1.221 0.295 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.003 -0.688 1.148 1.00 0.63 C ATOM 2124 C ASN B 36 -20.401 0.339 2.068 1.00 0.59 C ATOM 2125 O ASN B 36 -20.719 1.524 1.970 1.00 0.59 O ATOM 2126 CB ASN B 36 -21.691 -1.797 1.943 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.897 -1.296 2.712 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -22.675 -0.862 3.947 1.00 2.16 O flip ATOM 2129 ND2 ASN B 36 -24.018 -1.300 2.202 1.00 1.90 N flip ATOM 0 H ASN B 36 -19.584 -2.120 0.595 1.00 0.59 H new ATOM 0 HA ASN B 36 -21.767 -0.219 0.528 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -22.002 -2.589 1.262 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -20.977 -2.237 2.639 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -24.144 -1.642 1.249 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -24.821 -0.961 2.732 1.00 1.90 H new ATOM 2136 N GLU B 37 -19.533 -0.094 2.971 1.00 0.58 N ATOM 2137 CA GLU B 37 -18.898 0.881 3.835 1.00 0.56 C ATOM 2138 C GLU B 37 -17.873 1.673 3.051 1.00 0.50 C ATOM 2139 O GLU B 37 -17.460 2.746 3.481 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.276 0.265 5.071 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.093 -0.879 5.624 1.00 0.76 C ATOM 2142 CD GLU B 37 -18.964 -1.026 7.128 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -19.533 -0.186 7.857 1.00 1.28 O ATOM 2144 OE2 GLU B 37 -18.301 -1.984 7.577 1.00 1.41 O ATOM 0 H GLU B 37 -19.264 -1.067 3.119 1.00 0.58 H new ATOM 0 HA GLU B 37 -19.680 1.551 4.194 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.275 -0.092 4.830 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.165 1.032 5.838 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.141 -0.727 5.368 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -18.780 -1.807 5.145 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.445 1.155 1.892 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.527 1.901 1.055 1.00 0.43 C ATOM 2153 C PHE B 38 -17.153 3.269 0.796 1.00 0.45 C ATOM 2154 O PHE B 38 -16.474 4.279 0.665 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.294 1.168 -0.265 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.081 1.632 -1.017 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -14.989 2.934 -1.476 1.00 1.21 C ATOM 2158 CD2 PHE B 38 -14.037 0.761 -1.268 1.00 1.30 C ATOM 2159 CE1 PHE B 38 -13.876 3.362 -2.172 1.00 1.21 C ATOM 2160 CE2 PHE B 38 -12.919 1.181 -1.965 1.00 1.32 C ATOM 2161 CZ PHE B 38 -12.838 2.484 -2.418 1.00 0.46 C ATOM 0 H PHE B 38 -17.718 0.242 1.528 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.561 2.008 1.549 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.198 0.101 -0.064 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.172 1.295 -0.899 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -15.798 3.624 -1.287 1.00 1.21 H new ATOM 0 HD2 PHE B 38 -14.095 -0.258 -0.916 1.00 1.30 H new ATOM 0 HE1 PHE B 38 -13.817 4.381 -2.524 1.00 1.21 H new ATOM 0 HE2 PHE B 38 -12.110 0.491 -2.155 1.00 1.32 H new ATOM 0 HZ PHE B 38 -11.966 2.815 -2.963 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.484 3.278 0.771 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.241 4.504 0.574 1.00 0.53 C ATOM 2173 C LYS B 39 -18.945 5.496 1.699 1.00 0.54 C ATOM 2174 O LYS B 39 -19.352 6.656 1.651 1.00 0.58 O ATOM 2175 CB LYS B 39 -20.724 4.180 0.499 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.000 3.034 -0.444 1.00 0.68 C ATOM 2177 CD LYS B 39 -21.778 3.472 -1.673 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.128 4.064 -1.303 1.00 1.49 C ATOM 2179 NZ LYS B 39 -23.940 3.123 -0.485 1.00 1.82 N ATOM 0 H LYS B 39 -19.059 2.444 0.886 1.00 0.49 H new ATOM 0 HA LYS B 39 -18.942 4.969 -0.365 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.092 3.929 1.494 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.273 5.062 0.169 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.056 2.587 -0.755 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -21.561 2.261 0.082 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -21.197 4.209 -2.228 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -21.924 2.618 -2.334 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -22.979 4.991 -0.749 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -23.674 4.320 -2.211 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -24.914 3.480 -0.410 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -23.948 2.187 -0.938 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -23.526 3.044 0.466 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.314 5.008 2.748 1.00 0.53 N ATOM 2194 CA GLU B 40 -17.885 5.856 3.834 1.00 0.57 C ATOM 2195 C GLU B 40 -16.512 6.478 3.499 1.00 0.55 C ATOM 2196 O GLU B 40 -15.975 7.260 4.284 1.00 0.61 O ATOM 2197 CB GLU B 40 -17.832 5.045 5.143 1.00 0.61 C ATOM 2198 CG GLU B 40 -16.512 4.326 5.394 1.00 1.09 C ATOM 2199 CD GLU B 40 -15.578 5.118 6.288 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -15.732 5.040 7.525 1.00 2.62 O ATOM 2201 OE2 GLU B 40 -14.692 5.817 5.752 1.00 2.42 O ATOM 0 H GLU B 40 -18.087 4.021 2.868 1.00 0.53 H new ATOM 0 HA GLU B 40 -18.600 6.668 3.971 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -18.029 5.717 5.979 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -18.635 4.308 5.130 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -16.712 3.357 5.851 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -16.020 4.134 4.440 1.00 1.09 H new ATOM 2208 N LEU B 41 -15.945 6.129 2.321 1.00 0.50 N ATOM 2209 CA LEU B 41 -14.627 6.623 1.931 1.00 0.50 C ATOM 2210 C LEU B 41 -14.686 8.021 1.352 1.00 0.55 C ATOM 2211 O LEU B 41 -14.564 8.997 2.085 1.00 0.63 O ATOM 2212 CB LEU B 41 -13.954 5.684 0.920 1.00 0.46 C ATOM 2213 CG LEU B 41 -13.688 4.261 1.390 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -12.592 3.623 0.548 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -13.324 4.220 2.871 1.00 0.66 C ATOM 0 H LEU B 41 -16.384 5.512 1.637 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.033 6.655 2.845 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -14.579 5.638 0.028 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.004 6.128 0.621 1.00 0.46 H new ATOM 0 HG LEU B 41 -14.606 3.688 1.262 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.412 2.606 0.895 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -12.902 3.600 -0.497 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -11.676 4.206 0.642 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -13.141 3.189 3.172 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -12.425 4.813 3.041 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -14.145 4.629 3.459 1.00 0.66 H new ATOM 2227 N ALA B 42 -14.902 8.115 0.035 1.00 0.55 N ATOM 2228 CA ALA B 42 -14.942 9.410 -0.648 1.00 0.62 C ATOM 2229 C ALA B 42 -15.715 10.418 0.179 1.00 0.68 C ATOM 2230 O ALA B 42 -15.315 11.564 0.338 1.00 0.76 O ATOM 2231 CB ALA B 42 -15.559 9.269 -2.012 1.00 0.65 C ATOM 0 H ALA B 42 -15.051 7.312 -0.576 1.00 0.55 H new ATOM 0 HA ALA B 42 -13.920 9.768 -0.768 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -15.580 10.241 -2.504 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -14.969 8.573 -2.608 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -16.576 8.890 -1.914 1.00 0.65 H new ATOM 2237 N THR B 43 -16.808 9.936 0.732 1.00 0.65 N ATOM 2238 CA THR B 43 -17.683 10.737 1.567 1.00 0.73 C ATOM 2239 C THR B 43 -16.943 11.378 2.740 1.00 0.78 C ATOM 2240 O THR B 43 -17.002 12.589 2.941 1.00 0.85 O ATOM 2241 CB THR B 43 -18.827 9.881 2.126 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.316 8.621 2.596 1.00 0.66 O ATOM 2243 CG2 THR B 43 -19.882 9.652 1.064 1.00 0.76 C ATOM 0 H THR B 43 -17.118 8.971 0.615 1.00 0.65 H new ATOM 0 HA THR B 43 -18.075 11.529 0.929 1.00 0.73 H new ATOM 0 HB THR B 43 -19.284 10.411 2.961 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.377 7.956 1.879 1.00 0.66 H new ATOM 0 HG21 THR B 43 -20.687 9.043 1.476 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.283 10.611 0.737 1.00 0.76 H new ATOM 0 HG23 THR B 43 -19.436 9.137 0.213 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.281 10.546 3.529 1.00 0.76 N ATOM 2252 CA GLN B 44 -15.537 11.007 4.696 1.00 0.84 C ATOM 2253 C GLN B 44 -14.171 11.549 4.303 1.00 0.83 C ATOM 2254 O GLN B 44 -13.740 12.589 4.799 1.00 0.92 O ATOM 2255 CB GLN B 44 -15.403 9.850 5.684 1.00 0.87 C ATOM 2256 CG GLN B 44 -16.739 9.207 6.020 1.00 1.54 C ATOM 2257 CD GLN B 44 -17.667 10.157 6.757 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -18.463 10.867 6.142 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -17.565 10.177 8.082 1.00 2.74 N ATOM 0 H GLN B 44 -16.243 9.537 3.382 1.00 0.76 H new ATOM 0 HA GLN B 44 -16.080 11.827 5.166 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -14.737 9.096 5.266 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -14.938 10.213 6.601 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -17.220 8.873 5.101 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -16.570 8.321 6.632 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -16.891 9.571 8.551 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -18.160 10.798 8.630 1.00 2.74 H new ATOM 2268 N GLN B 45 -13.488 10.837 3.425 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.190 11.267 2.952 1.00 0.82 C ATOM 2270 C GLN B 45 -12.342 12.512 2.070 1.00 0.78 C ATOM 2271 O GLN B 45 -11.357 13.180 1.760 1.00 0.79 O ATOM 2272 CB GLN B 45 -11.525 10.122 2.190 1.00 0.93 C ATOM 2273 CG GLN B 45 -12.074 9.938 0.795 1.00 0.95 C ATOM 2274 CD GLN B 45 -11.743 8.588 0.176 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -12.486 8.084 -0.665 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -10.627 7.992 0.584 1.00 1.45 N ATOM 0 H GLN B 45 -13.814 9.957 3.026 1.00 0.79 H new ATOM 0 HA GLN B 45 -11.555 11.533 3.797 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -10.453 10.309 2.130 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.657 9.196 2.750 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -13.157 10.059 0.822 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -11.682 10.727 0.154 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -10.036 8.441 1.283 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -10.362 7.086 0.198 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.593 12.815 1.656 1.00 0.78 N ATOM 2286 CA LEU B 46 -13.875 13.994 0.836 1.00 0.78 C ATOM 2287 C LEU B 46 -13.082 15.169 1.353 1.00 0.74 C ATOM 2288 O LEU B 46 -12.106 15.555 0.721 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.373 14.344 0.801 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.075 14.172 -0.554 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.505 14.683 -0.476 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.313 14.901 -1.651 1.00 1.30 C ATOM 0 H LEU B 46 -14.415 12.255 1.881 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.578 13.761 -0.187 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -15.888 13.724 1.535 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.491 15.380 1.120 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.095 13.110 -0.798 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -17.990 14.555 -1.443 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -18.051 14.121 0.281 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.500 15.740 -0.210 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -15.827 14.766 -2.603 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -15.261 15.964 -1.414 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.304 14.496 -1.724 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.440 15.746 2.518 1.00 0.78 N ATOM 2305 CA PRO B 47 -12.672 16.864 3.014 1.00 0.80 C ATOM 2306 C PRO B 47 -11.427 16.428 3.740 1.00 0.77 C ATOM 2307 O PRO B 47 -11.427 16.149 4.938 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.640 17.497 4.004 1.00 0.91 C ATOM 2309 CG PRO B 47 -14.408 16.341 4.547 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.554 15.378 3.401 1.00 0.90 C ATOM 0 HA PRO B 47 -12.327 17.520 2.215 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -13.111 18.031 4.793 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -14.296 18.218 3.516 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -13.882 15.879 5.383 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.382 16.658 4.919 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.481 14.342 3.732 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.517 15.487 2.903 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.378 16.368 2.964 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.055 16.083 3.434 1.00 0.75 C ATOM 2320 C HIS B 48 -8.269 17.368 3.551 1.00 0.83 C ATOM 2321 O HIS B 48 -8.835 18.461 3.544 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.404 15.123 2.472 1.00 0.73 C ATOM 2323 CG HIS B 48 -7.970 13.857 3.142 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -6.848 13.777 3.943 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -8.541 12.632 3.178 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -6.753 12.562 4.445 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -7.767 11.848 3.997 1.00 1.59 N ATOM 0 H HIS B 48 -10.426 16.521 1.957 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.087 15.625 4.422 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.103 14.886 1.670 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -7.540 15.603 2.012 1.00 0.73 H new ATOM 0 HD2 HIS B 48 -9.438 12.327 2.660 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -5.977 12.211 5.110 1.00 2.02 H new ATOM 0 HE2 HIS B 48 -7.947 10.870 4.223 1.00 1.59 H new ATOM 2336 N LEU B 49 -6.961 17.231 3.656 1.00 0.89 N ATOM 2337 CA LEU B 49 -6.097 18.382 3.627 1.00 1.00 C ATOM 2338 C LEU B 49 -5.900 18.699 2.148 1.00 0.98 C ATOM 2339 O LEU B 49 -6.543 19.593 1.597 1.00 1.02 O ATOM 2340 CB LEU B 49 -4.763 18.097 4.328 1.00 1.10 C ATOM 2341 CG LEU B 49 -4.849 17.970 5.850 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -3.472 17.719 6.443 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -5.473 19.219 6.454 1.00 2.44 C ATOM 0 H LEU B 49 -6.481 16.337 3.761 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.530 19.227 4.162 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.347 17.174 3.924 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.063 18.896 4.084 1.00 1.10 H new ATOM 0 HG LEU B 49 -5.485 17.118 6.090 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -3.553 17.631 7.526 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -3.062 16.795 6.034 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -2.812 18.550 6.194 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -5.526 19.112 7.537 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -4.863 20.087 6.205 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -6.477 19.354 6.053 1.00 2.44 H new ATOM 2355 N LEU B 50 -4.998 17.951 1.516 1.00 0.98 N ATOM 2356 CA LEU B 50 -4.752 18.061 0.082 1.00 1.01 C ATOM 2357 C LEU B 50 -5.733 17.148 -0.672 1.00 0.92 C ATOM 2358 O LEU B 50 -5.326 16.374 -1.539 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.306 17.675 -0.243 1.00 1.11 C ATOM 2360 CG LEU B 50 -2.884 17.888 -1.699 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -3.039 19.350 -2.091 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -1.448 17.428 -1.907 1.00 2.24 C ATOM 0 H LEU B 50 -4.419 17.253 1.983 1.00 0.98 H new ATOM 0 HA LEU B 50 -4.906 19.093 -0.232 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.640 18.252 0.399 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.162 16.625 0.010 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.534 17.291 -2.339 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -2.734 19.483 -3.129 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -4.081 19.649 -1.978 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -2.413 19.968 -1.447 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -1.162 17.586 -2.947 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -0.785 18.000 -1.258 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -1.367 16.368 -1.665 1.00 2.24 H new ATOM 2374 N LYS B 51 -7.023 17.244 -0.339 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.059 16.402 -0.939 1.00 0.80 C ATOM 2376 C LYS B 51 -7.840 16.172 -2.427 1.00 0.89 C ATOM 2377 O LYS B 51 -7.164 16.946 -3.104 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.440 17.023 -0.704 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.584 16.322 -1.439 1.00 1.24 C ATOM 2380 CD LYS B 51 -11.896 17.122 -1.435 1.00 2.12 C ATOM 2381 CE LYS B 51 -12.024 18.079 -0.254 1.00 2.68 C ATOM 2382 NZ LYS B 51 -13.436 18.496 -0.025 1.00 3.58 N ATOM 0 H LYS B 51 -7.377 17.906 0.352 1.00 0.85 H new ATOM 0 HA LYS B 51 -8.001 15.428 -0.452 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.652 17.013 0.365 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.412 18.068 -1.014 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.283 16.137 -2.470 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -10.759 15.350 -0.979 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -11.968 17.691 -2.362 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -12.736 16.427 -1.421 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -11.637 17.599 0.645 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -11.410 18.961 -0.434 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -13.479 19.146 0.786 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -13.798 18.977 -0.873 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -14.018 17.657 0.172 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.433 15.089 -2.918 1.00 0.92 N ATOM 2397 CA ASP B 52 -8.335 14.722 -4.321 1.00 1.17 C ATOM 2398 C ASP B 52 -9.607 15.149 -5.032 1.00 1.24 C ATOM 2399 O ASP B 52 -9.564 15.621 -6.164 1.00 1.47 O ATOM 2400 CB ASP B 52 -8.126 13.214 -4.469 1.00 1.29 C ATOM 2401 CG ASP B 52 -7.905 12.799 -5.910 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -8.906 12.555 -6.615 1.00 2.35 O ATOM 2403 OD2 ASP B 52 -6.732 12.716 -6.330 1.00 2.61 O ATOM 0 H ASP B 52 -8.991 14.446 -2.356 1.00 0.92 H new ATOM 0 HA ASP B 52 -7.478 15.226 -4.767 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -7.268 12.909 -3.870 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -8.995 12.689 -4.072 1.00 1.29 H new ATOM 2408 N VAL B 53 -10.730 14.981 -4.322 1.00 1.14 N ATOM 2409 CA VAL B 53 -12.065 15.350 -4.791 1.00 1.27 C ATOM 2410 C VAL B 53 -12.866 14.145 -5.284 1.00 1.24 C ATOM 2411 O VAL B 53 -13.020 13.884 -6.476 1.00 1.46 O ATOM 2412 CB VAL B 53 -12.046 16.513 -5.817 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -11.906 16.046 -7.264 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -13.288 17.375 -5.652 1.00 1.92 C ATOM 0 H VAL B 53 -10.732 14.576 -3.386 1.00 1.14 H new ATOM 0 HA VAL B 53 -12.593 15.733 -3.918 1.00 1.27 H new ATOM 0 HB VAL B 53 -11.155 17.104 -5.602 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -11.900 16.911 -7.927 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -10.973 15.494 -7.380 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -12.745 15.399 -7.520 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -13.265 18.189 -6.377 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -14.177 16.767 -5.817 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -13.313 17.788 -4.644 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.345 13.387 -4.318 1.00 1.06 N ATOM 2425 CA GLY B 54 -14.170 12.224 -4.617 1.00 1.09 C ATOM 2426 C GLY B 54 -15.370 12.582 -5.474 1.00 1.13 C ATOM 2427 O GLY B 54 -16.451 12.858 -4.955 1.00 1.23 O ATOM 0 H GLY B 54 -13.181 13.550 -3.325 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -13.568 11.475 -5.132 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -14.512 11.773 -3.685 1.00 1.09 H new ATOM 2431 N SER B 55 -15.179 12.594 -6.789 1.00 1.16 N ATOM 2432 CA SER B 55 -16.258 12.917 -7.711 1.00 1.24 C ATOM 2433 C SER B 55 -17.425 11.954 -7.522 1.00 1.10 C ATOM 2434 O SER B 55 -17.243 10.738 -7.527 1.00 1.09 O ATOM 2435 CB SER B 55 -15.747 12.855 -9.146 1.00 1.40 C ATOM 2436 OG SER B 55 -16.679 13.425 -10.049 1.00 1.62 O ATOM 0 H SER B 55 -14.288 12.384 -7.238 1.00 1.16 H new ATOM 0 HA SER B 55 -16.610 13.928 -7.503 1.00 1.24 H new ATOM 0 HB2 SER B 55 -14.797 13.384 -9.219 1.00 1.40 H new ATOM 0 HB3 SER B 55 -15.557 11.818 -9.422 1.00 1.40 H new ATOM 0 HG SER B 55 -16.949 12.752 -10.708 1.00 1.62 H new ATOM 2442 N LEU B 56 -18.626 12.507 -7.363 1.00 1.15 N ATOM 2443 CA LEU B 56 -19.826 11.696 -7.155 1.00 1.10 C ATOM 2444 C LEU B 56 -19.849 10.473 -8.065 1.00 0.98 C ATOM 2445 O LEU B 56 -19.855 9.338 -7.589 1.00 0.97 O ATOM 2446 CB LEU B 56 -21.086 12.536 -7.381 1.00 1.28 C ATOM 2447 CG LEU B 56 -21.270 13.708 -6.414 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -22.524 14.497 -6.763 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -21.338 13.208 -4.979 1.00 2.83 C ATOM 0 H LEU B 56 -18.795 13.513 -7.374 1.00 1.15 H new ATOM 0 HA LEU B 56 -19.805 11.346 -6.123 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -21.066 12.925 -8.399 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -21.956 11.884 -7.306 1.00 1.28 H new ATOM 0 HG LEU B 56 -20.410 14.370 -6.509 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -22.638 15.326 -6.065 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -22.438 14.886 -7.778 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -23.395 13.844 -6.697 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -21.469 14.054 -4.305 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -22.180 12.525 -4.871 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -20.414 12.686 -4.731 1.00 2.83 H new ATOM 2461 N ASP B 57 -19.867 10.702 -9.372 1.00 1.00 N ATOM 2462 CA ASP B 57 -19.885 9.600 -10.325 1.00 1.01 C ATOM 2463 C ASP B 57 -18.748 8.647 -10.061 1.00 0.95 C ATOM 2464 O ASP B 57 -18.930 7.433 -9.975 1.00 0.97 O ATOM 2465 CB ASP B 57 -19.777 10.100 -11.756 1.00 1.15 C ATOM 2466 CG ASP B 57 -18.860 11.301 -11.888 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -17.645 11.099 -12.092 1.00 2.48 O ATOM 2468 OD2 ASP B 57 -19.359 12.442 -11.789 1.00 2.19 O ATOM 0 H ASP B 57 -19.870 11.631 -9.793 1.00 1.00 H new ATOM 0 HA ASP B 57 -20.837 9.085 -10.197 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -19.408 9.295 -12.391 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -20.770 10.364 -12.120 1.00 1.15 H new ATOM 2473 N GLU B 58 -17.577 9.221 -9.924 1.00 0.94 N ATOM 2474 CA GLU B 58 -16.370 8.455 -9.664 1.00 0.95 C ATOM 2475 C GLU B 58 -16.597 7.584 -8.449 1.00 0.87 C ATOM 2476 O GLU B 58 -16.226 6.411 -8.423 1.00 0.90 O ATOM 2477 CB GLU B 58 -15.174 9.379 -9.429 1.00 0.98 C ATOM 2478 CG GLU B 58 -13.843 8.645 -9.412 1.00 1.44 C ATOM 2479 CD GLU B 58 -12.659 9.578 -9.253 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -12.297 9.886 -8.099 1.00 2.42 O ATOM 2481 OE2 GLU B 58 -12.092 9.999 -10.284 1.00 2.29 O ATOM 0 H GLU B 58 -17.428 10.228 -9.988 1.00 0.94 H new ATOM 0 HA GLU B 58 -16.148 7.835 -10.533 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -15.152 10.139 -10.210 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -15.306 9.900 -8.481 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -13.842 7.922 -8.596 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -13.733 8.080 -10.338 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.234 8.176 -7.449 1.00 0.81 N ATOM 2489 CA LYS B 59 -17.547 7.469 -6.231 1.00 0.76 C ATOM 2490 C LYS B 59 -18.497 6.322 -6.508 1.00 0.80 C ATOM 2491 O LYS B 59 -18.549 5.367 -5.746 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.149 8.415 -5.194 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.176 9.485 -4.743 1.00 0.75 C ATOM 2494 CD LYS B 59 -17.871 10.634 -4.032 1.00 1.14 C ATOM 2495 CE LYS B 59 -18.770 10.145 -2.910 1.00 1.95 C ATOM 2496 NZ LYS B 59 -19.692 11.212 -2.434 1.00 2.67 N ATOM 0 H LYS B 59 -17.542 9.148 -7.465 1.00 0.81 H new ATOM 0 HA LYS B 59 -16.619 7.062 -5.829 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -19.036 8.890 -5.613 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -18.475 7.838 -4.328 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -16.436 9.042 -4.076 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -16.636 9.870 -5.608 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -17.123 11.316 -3.627 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -18.463 11.201 -4.751 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -19.351 9.291 -3.257 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -18.157 9.797 -2.079 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -20.037 10.973 -1.482 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -19.185 12.120 -2.401 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -20.499 11.290 -3.086 1.00 2.67 H new ATOM 2510 N MET B 60 -19.266 6.445 -7.590 1.00 0.86 N ATOM 2511 CA MET B 60 -20.221 5.408 -7.987 1.00 0.92 C ATOM 2512 C MET B 60 -19.541 4.290 -8.771 1.00 0.96 C ATOM 2513 O MET B 60 -19.663 3.114 -8.433 1.00 1.01 O ATOM 2514 CB MET B 60 -21.347 6.023 -8.822 1.00 1.00 C ATOM 2515 CG MET B 60 -22.219 6.996 -8.046 1.00 1.01 C ATOM 2516 SD MET B 60 -23.120 6.204 -6.701 1.00 1.74 S ATOM 2517 CE MET B 60 -24.023 7.598 -6.031 1.00 2.31 C ATOM 0 H MET B 60 -19.247 7.255 -8.210 1.00 0.86 H new ATOM 0 HA MET B 60 -20.638 4.974 -7.079 1.00 0.92 H new ATOM 0 HB2 MET B 60 -20.913 6.540 -9.677 1.00 1.00 H new ATOM 0 HB3 MET B 60 -21.973 5.223 -9.218 1.00 1.00 H new ATOM 0 HG2 MET B 60 -21.595 7.792 -7.640 1.00 1.01 H new ATOM 0 HG3 MET B 60 -22.929 7.464 -8.728 1.00 1.01 H new ATOM 0 HE1 MET B 60 -24.630 7.267 -5.188 1.00 2.31 H new ATOM 0 HE2 MET B 60 -23.319 8.360 -5.695 1.00 2.31 H new ATOM 0 HE3 MET B 60 -24.670 8.017 -6.802 1.00 2.31 H new ATOM 2527 N LYS B 61 -18.848 4.664 -9.836 1.00 0.97 N ATOM 2528 CA LYS B 61 -18.144 3.691 -10.664 1.00 1.02 C ATOM 2529 C LYS B 61 -17.081 2.948 -9.875 1.00 0.96 C ATOM 2530 O LYS B 61 -17.045 1.717 -9.870 1.00 0.92 O ATOM 2531 CB LYS B 61 -17.509 4.338 -11.873 1.00 1.09 C ATOM 2532 CG LYS B 61 -17.053 5.780 -11.667 1.00 1.55 C ATOM 2533 CD LYS B 61 -16.165 6.260 -12.802 1.00 2.08 C ATOM 2534 CE LYS B 61 -16.888 6.209 -14.138 1.00 2.60 C ATOM 2535 NZ LYS B 61 -16.028 6.694 -15.252 1.00 3.16 N ATOM 0 H LYS B 61 -18.757 5.631 -10.148 1.00 0.97 H new ATOM 0 HA LYS B 61 -18.895 2.977 -11.002 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -16.649 3.741 -12.177 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -18.222 4.312 -12.697 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -17.925 6.429 -11.589 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -16.512 5.859 -10.724 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -15.839 7.281 -12.603 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -15.268 5.642 -12.849 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -17.203 5.186 -14.342 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -17.791 6.817 -14.086 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -16.557 6.644 -16.146 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -15.748 7.679 -15.071 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -15.178 6.099 -15.319 1.00 3.16 H new ATOM 2549 N THR B 62 -16.217 3.697 -9.209 1.00 0.99 N ATOM 2550 CA THR B 62 -15.136 3.111 -8.429 1.00 0.96 C ATOM 2551 C THR B 62 -15.610 1.910 -7.621 1.00 0.87 C ATOM 2552 O THR B 62 -14.833 0.994 -7.352 1.00 0.84 O ATOM 2553 CB THR B 62 -14.490 4.140 -7.489 1.00 1.03 C ATOM 2554 OG1 THR B 62 -13.970 5.235 -8.247 1.00 1.13 O ATOM 2555 CG2 THR B 62 -13.368 3.505 -6.679 1.00 1.05 C ATOM 0 H THR B 62 -16.243 4.717 -9.192 1.00 0.99 H new ATOM 0 HA THR B 62 -14.387 2.775 -9.147 1.00 0.96 H new ATOM 0 HB THR B 62 -15.255 4.501 -6.802 1.00 1.03 H new ATOM 0 HG1 THR B 62 -14.711 5.778 -8.588 1.00 1.13 H new ATOM 0 HG21 THR B 62 -12.926 4.253 -6.021 1.00 1.05 H new ATOM 0 HG22 THR B 62 -13.769 2.687 -6.081 1.00 1.05 H new ATOM 0 HG23 THR B 62 -12.604 3.120 -7.355 1.00 1.05 H new ATOM 2563 N LEU B 63 -16.888 1.906 -7.229 1.00 0.86 N ATOM 2564 CA LEU B 63 -17.434 0.774 -6.479 1.00 0.83 C ATOM 2565 C LEU B 63 -17.060 -0.520 -7.182 1.00 0.80 C ATOM 2566 O LEU B 63 -16.327 -1.354 -6.650 1.00 0.89 O ATOM 2567 CB LEU B 63 -18.960 0.844 -6.368 1.00 0.95 C ATOM 2568 CG LEU B 63 -19.508 1.707 -5.233 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -19.857 3.082 -5.754 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -20.731 1.058 -4.602 1.00 1.41 C ATOM 0 H LEU B 63 -17.551 2.658 -7.414 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.014 0.810 -5.474 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -19.356 1.223 -7.310 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -19.343 -0.169 -6.245 1.00 0.95 H new ATOM 0 HG LEU B 63 -18.738 1.800 -4.467 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -20.247 3.692 -4.939 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -18.964 3.553 -6.164 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -20.612 2.994 -6.535 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.104 1.691 -3.796 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -21.508 0.936 -5.357 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -20.459 0.082 -4.200 1.00 1.41 H new ATOM 2582 N ASP B 64 -17.565 -0.662 -8.398 1.00 0.78 N ATOM 2583 CA ASP B 64 -17.274 -1.833 -9.204 1.00 0.81 C ATOM 2584 C ASP B 64 -15.769 -2.044 -9.304 1.00 0.81 C ATOM 2585 O ASP B 64 -15.275 -3.162 -9.160 1.00 0.88 O ATOM 2586 CB ASP B 64 -17.860 -1.672 -10.600 1.00 0.91 C ATOM 2587 CG ASP B 64 -19.353 -1.938 -10.644 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -19.743 -3.115 -10.797 1.00 2.05 O ATOM 2589 OD2 ASP B 64 -20.131 -0.969 -10.527 1.00 1.96 O ATOM 0 H ASP B 64 -18.177 0.019 -8.846 1.00 0.78 H new ATOM 0 HA ASP B 64 -17.726 -2.702 -8.725 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -17.665 -0.661 -10.957 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -17.354 -2.354 -11.283 1.00 0.91 H new ATOM 2594 N VAL B 65 -15.046 -0.958 -9.556 1.00 0.81 N ATOM 2595 CA VAL B 65 -13.596 -1.016 -9.666 1.00 0.87 C ATOM 2596 C VAL B 65 -12.998 -1.635 -8.410 1.00 0.77 C ATOM 2597 O VAL B 65 -12.553 -2.783 -8.425 1.00 0.83 O ATOM 2598 CB VAL B 65 -12.990 0.383 -9.889 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -11.474 0.303 -9.984 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -13.572 1.023 -11.139 1.00 1.07 C ATOM 0 H VAL B 65 -15.442 -0.027 -9.688 1.00 0.81 H new ATOM 0 HA VAL B 65 -13.355 -1.635 -10.530 1.00 0.87 H new ATOM 0 HB VAL B 65 -13.245 1.007 -9.033 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -11.066 1.301 -10.141 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -11.073 -0.111 -9.059 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -11.195 -0.339 -10.820 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -13.133 2.010 -11.281 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -13.349 0.399 -12.005 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -14.652 1.119 -11.029 1.00 1.07 H new ATOM 2610 N ASN B 66 -12.994 -0.873 -7.318 1.00 0.72 N ATOM 2611 CA ASN B 66 -12.467 -1.358 -6.041 1.00 0.67 C ATOM 2612 C ASN B 66 -13.510 -2.162 -5.268 1.00 0.56 C ATOM 2613 O ASN B 66 -13.565 -2.094 -4.041 1.00 0.57 O ATOM 2614 CB ASN B 66 -11.998 -0.206 -5.167 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.332 0.908 -5.953 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -11.410 2.077 -5.577 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -10.657 0.550 -7.039 1.00 1.10 N ATOM 0 H ASN B 66 -13.349 0.083 -7.290 1.00 0.72 H new ATOM 0 HA ASN B 66 -11.623 -2.005 -6.281 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -12.851 0.201 -4.625 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -11.298 -0.585 -4.422 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -10.177 1.256 -7.597 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -10.618 -0.431 -7.315 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.338 -2.916 -5.978 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.370 -3.725 -5.359 1.00 0.68 C ATOM 2626 C GLN B 67 -14.794 -4.508 -4.186 1.00 0.61 C ATOM 2627 O GLN B 67 -15.185 -4.309 -3.038 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.005 -4.609 -6.460 1.00 0.90 C ATOM 2629 CG GLN B 67 -16.015 -6.119 -6.234 1.00 0.74 C ATOM 2630 CD GLN B 67 -14.922 -6.885 -6.987 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -13.845 -6.211 -7.399 1.00 2.01 O flip ATOM 2632 NE2 GLN B 67 -15.065 -8.084 -7.227 1.00 1.44 N flip ATOM 0 H GLN B 67 -14.311 -2.982 -6.996 1.00 0.63 H new ATOM 0 HA GLN B 67 -16.162 -3.111 -4.930 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.036 -4.283 -6.600 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -15.479 -4.412 -7.394 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -15.907 -6.314 -5.167 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -16.987 -6.511 -6.533 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -15.898 -8.574 -6.900 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -14.351 -8.588 -7.753 1.00 1.44 H new ATOM 2641 N ASP B 68 -13.870 -5.395 -4.485 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.201 -6.179 -3.483 1.00 0.62 C ATOM 2643 C ASP B 68 -11.988 -5.427 -2.954 1.00 0.59 C ATOM 2644 O ASP B 68 -10.963 -6.039 -2.652 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.799 -7.531 -4.053 1.00 0.73 C ATOM 2646 CG ASP B 68 -13.988 -8.450 -4.237 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -14.850 -8.492 -3.335 1.00 1.50 O ATOM 2648 OD2 ASP B 68 -14.060 -9.125 -5.285 1.00 1.58 O ATOM 0 H ASP B 68 -13.563 -5.590 -5.438 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.885 -6.352 -2.652 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.302 -7.386 -5.012 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -12.076 -8.003 -3.388 1.00 0.73 H new ATOM 2653 N SER B 69 -12.107 -4.094 -2.826 1.00 0.56 N ATOM 2654 CA SER B 69 -11.010 -3.257 -2.337 1.00 0.58 C ATOM 2655 C SER B 69 -10.315 -3.935 -1.172 1.00 0.62 C ATOM 2656 O SER B 69 -9.131 -3.732 -0.933 1.00 0.74 O ATOM 2657 CB SER B 69 -11.544 -1.887 -1.909 1.00 0.66 C ATOM 2658 OG SER B 69 -10.561 -1.152 -1.205 1.00 1.74 O ATOM 0 H SER B 69 -12.956 -3.577 -3.056 1.00 0.56 H new ATOM 0 HA SER B 69 -10.288 -3.117 -3.142 1.00 0.58 H new ATOM 0 HB2 SER B 69 -11.861 -1.326 -2.788 1.00 0.66 H new ATOM 0 HB3 SER B 69 -12.425 -2.017 -1.280 1.00 0.66 H new ATOM 0 HG SER B 69 -10.576 -0.218 -1.502 1.00 1.74 H new ATOM 2664 N GLU B 70 -11.098 -4.715 -0.446 1.00 0.63 N ATOM 2665 CA GLU B 70 -10.607 -5.519 0.658 1.00 0.76 C ATOM 2666 C GLU B 70 -10.879 -6.956 0.314 1.00 0.77 C ATOM 2667 O GLU B 70 -11.791 -7.254 -0.458 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.294 -5.164 1.976 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.604 -6.373 2.894 1.00 1.33 C ATOM 2670 CD GLU B 70 -10.369 -7.024 3.487 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -9.249 -6.629 3.104 1.00 2.73 O ATOM 2672 OE2 GLU B 70 -10.523 -7.928 4.335 1.00 2.87 O ATOM 0 H GLU B 70 -12.101 -4.808 -0.608 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.542 -5.332 0.798 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.662 -4.464 2.522 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.227 -4.645 1.755 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -12.255 -6.044 3.704 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -12.158 -7.118 2.323 1.00 1.33 H new ATOM 2679 N LEU B 71 -10.104 -7.847 0.873 1.00 0.79 N ATOM 2680 CA LEU B 71 -10.316 -9.216 0.599 1.00 0.83 C ATOM 2681 C LEU B 71 -10.060 -10.155 1.788 1.00 0.81 C ATOM 2682 O LEU B 71 -9.237 -9.890 2.647 1.00 0.86 O ATOM 2683 CB LEU B 71 -9.414 -9.505 -0.564 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.196 -10.928 -0.893 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -8.307 -11.653 0.108 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -10.531 -11.558 -1.108 1.00 1.25 C ATOM 0 H LEU B 71 -9.335 -7.640 1.510 1.00 0.79 H new ATOM 0 HA LEU B 71 -11.367 -9.406 0.379 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -9.824 -9.011 -1.445 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -8.444 -9.049 -0.365 1.00 0.99 H new ATOM 0 HG LEU B 71 -8.621 -11.010 -1.816 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.190 -12.693 -0.196 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -7.329 -11.172 0.141 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -8.765 -11.613 1.097 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -10.401 -12.612 -1.353 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -11.126 -11.468 -0.200 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -11.043 -11.055 -1.929 1.00 1.25 H new ATOM 2698 N ARG B 72 -10.846 -11.221 1.856 1.00 0.77 N ATOM 2699 CA ARG B 72 -10.667 -12.275 2.844 1.00 0.80 C ATOM 2700 C ARG B 72 -10.238 -13.560 2.103 1.00 0.69 C ATOM 2701 O ARG B 72 -9.519 -14.397 2.645 1.00 0.76 O ATOM 2702 CB ARG B 72 -11.960 -12.519 3.632 1.00 0.91 C ATOM 2703 CG ARG B 72 -12.863 -11.300 3.754 1.00 1.00 C ATOM 2704 CD ARG B 72 -12.115 -10.077 4.257 1.00 1.06 C ATOM 2705 NE ARG B 72 -11.041 -10.426 5.184 1.00 1.30 N ATOM 2706 CZ ARG B 72 -11.221 -10.624 6.488 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -12.433 -10.520 7.019 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -10.189 -10.932 7.260 1.00 1.42 N ATOM 0 H ARG B 72 -11.630 -11.379 1.223 1.00 0.77 H new ATOM 0 HA ARG B 72 -9.902 -11.978 3.561 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -12.518 -13.322 3.151 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -11.701 -12.866 4.632 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -13.305 -11.079 2.782 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -13.685 -11.526 4.434 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -11.698 -9.535 3.409 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -12.815 -9.404 4.752 1.00 1.06 H new ATOM 0 HE ARG B 72 -10.097 -10.524 4.810 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -13.231 -10.288 6.427 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -12.567 -10.673 8.019 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -9.257 -11.017 6.855 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -10.327 -11.084 8.259 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.686 -13.678 0.837 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.353 -14.815 -0.039 1.00 0.57 C ATOM 2724 C PHE B 73 -9.170 -14.527 -1.030 1.00 0.52 C ATOM 2725 O PHE B 73 -8.032 -14.666 -0.635 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.642 -15.351 -0.729 1.00 0.65 C ATOM 2727 CG PHE B 73 -12.187 -14.605 -1.924 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.611 -13.292 -1.821 1.00 1.36 C ATOM 2729 CD2 PHE B 73 -12.275 -15.226 -3.158 1.00 1.24 C ATOM 2730 CE1 PHE B 73 -13.098 -12.608 -2.902 1.00 1.44 C ATOM 2731 CE2 PHE B 73 -12.773 -14.547 -4.255 1.00 1.32 C ATOM 2732 CZ PHE B 73 -13.181 -13.234 -4.129 1.00 0.87 C ATOM 0 H PHE B 73 -11.290 -12.985 0.394 1.00 0.60 H new ATOM 0 HA PHE B 73 -9.960 -15.615 0.589 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -11.448 -16.378 -1.040 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.429 -15.389 0.024 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -12.556 -12.794 -0.864 1.00 1.36 H new ATOM 0 HD2 PHE B 73 -11.952 -16.251 -3.265 1.00 1.24 H new ATOM 0 HE1 PHE B 73 -13.416 -11.582 -2.795 1.00 1.44 H new ATOM 0 HE2 PHE B 73 -12.843 -15.044 -5.211 1.00 1.32 H new ATOM 0 HZ PHE B 73 -13.563 -12.700 -4.986 1.00 0.87 H new ATOM 2742 N SER B 74 -9.398 -14.094 -2.285 1.00 0.48 N ATOM 2743 CA SER B 74 -8.261 -13.886 -3.221 1.00 0.48 C ATOM 2744 C SER B 74 -8.136 -12.469 -3.753 1.00 0.42 C ATOM 2745 O SER B 74 -7.068 -12.062 -4.210 1.00 0.46 O ATOM 2746 CB SER B 74 -8.334 -14.834 -4.413 1.00 0.63 C ATOM 2747 OG SER B 74 -9.655 -14.925 -4.916 1.00 1.03 O ATOM 0 H SER B 74 -10.320 -13.886 -2.670 1.00 0.48 H new ATOM 0 HA SER B 74 -7.380 -14.093 -2.614 1.00 0.48 H new ATOM 0 HB2 SER B 74 -7.666 -14.485 -5.200 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.986 -15.823 -4.116 1.00 0.63 H new ATOM 0 HG SER B 74 -10.274 -15.108 -4.179 1.00 1.03 H new ATOM 2753 N GLU B 75 -9.209 -11.725 -3.695 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.238 -10.333 -4.162 1.00 0.42 C ATOM 2755 C GLU B 75 -8.312 -9.376 -3.385 1.00 0.42 C ATOM 2756 O GLU B 75 -8.578 -8.175 -3.351 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.656 -9.805 -4.016 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.707 -10.652 -4.696 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.853 -10.342 -6.173 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -11.902 -9.147 -6.528 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -11.918 -11.299 -6.974 1.00 1.41 O ATOM 0 H GLU B 75 -10.100 -12.054 -3.323 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.887 -10.356 -5.194 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.896 -9.730 -2.955 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.699 -8.795 -4.424 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.452 -11.705 -4.575 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.666 -10.498 -4.201 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.233 -9.869 -2.771 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.380 -8.997 -2.002 1.00 0.38 C ATOM 2770 C TYR B 76 -5.616 -8.094 -2.937 1.00 0.39 C ATOM 2771 O TYR B 76 -5.229 -6.985 -2.586 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.437 -9.767 -1.074 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.838 -9.751 0.380 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.566 -8.704 0.924 1.00 1.22 C ATOM 2775 CD2 TYR B 76 -5.519 -10.816 1.199 1.00 1.29 C ATOM 2776 CE1 TYR B 76 -6.959 -8.717 2.236 1.00 1.26 C ATOM 2777 CE2 TYR B 76 -5.912 -10.846 2.517 1.00 1.29 C ATOM 2778 CZ TYR B 76 -6.634 -9.793 3.035 1.00 0.48 C ATOM 2779 OH TYR B 76 -7.031 -9.814 4.352 1.00 0.54 O ATOM 0 H TYR B 76 -6.944 -10.847 -2.797 1.00 0.38 H new ATOM 0 HA TYR B 76 -7.012 -8.392 -1.351 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.382 -10.802 -1.411 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.435 -9.348 -1.166 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -6.828 -7.862 0.301 1.00 1.22 H new ATOM 0 HD2 TYR B 76 -4.950 -11.641 0.797 1.00 1.29 H new ATOM 0 HE1 TYR B 76 -7.520 -7.889 2.643 1.00 1.26 H new ATOM 0 HE2 TYR B 76 -5.656 -11.689 3.141 1.00 1.29 H new ATOM 0 HH TYR B 76 -8.009 -9.866 4.398 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.407 -8.573 -4.152 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.762 -7.757 -5.178 1.00 0.43 C ATOM 2791 C TRP B 77 -5.505 -6.430 -5.269 1.00 0.45 C ATOM 2792 O TRP B 77 -4.992 -5.452 -5.790 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.825 -8.464 -6.518 1.00 0.45 C ATOM 2794 CG TRP B 77 -6.231 -8.745 -6.917 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -7.208 -7.827 -7.171 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.836 -10.030 -7.064 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.370 -8.464 -7.502 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -8.172 -9.820 -7.441 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.371 -11.337 -6.926 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -9.051 -10.872 -7.679 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.241 -12.382 -7.156 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.569 -12.145 -7.530 1.00 0.56 C ATOM 0 H TRP B 77 -5.669 -9.511 -4.454 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.716 -7.591 -4.918 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.345 -7.849 -7.279 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.266 -9.398 -6.465 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -7.081 -6.756 -7.118 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -9.245 -8.005 -7.754 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.346 -11.528 -6.644 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -10.075 -10.691 -7.970 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.893 -13.398 -7.046 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -9.227 -12.983 -7.705 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.752 -6.419 -4.804 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.513 -5.206 -4.783 1.00 0.47 C ATOM 2815 C ARG B 78 -6.800 -4.189 -3.900 1.00 0.49 C ATOM 2816 O ARG B 78 -6.718 -3.013 -4.247 1.00 0.62 O ATOM 2817 CB ARG B 78 -8.933 -5.472 -4.286 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.757 -6.305 -5.241 1.00 0.61 C ATOM 2819 CD ARG B 78 -10.119 -5.527 -6.495 1.00 0.77 C ATOM 2820 NE ARG B 78 -10.755 -6.373 -7.500 1.00 1.49 N ATOM 2821 CZ ARG B 78 -10.942 -6.002 -8.763 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -10.545 -4.804 -9.170 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -11.524 -6.830 -9.620 1.00 2.83 N ATOM 0 H ARG B 78 -7.240 -7.238 -4.442 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.592 -4.804 -5.793 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -8.884 -5.979 -3.323 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.436 -4.520 -4.119 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -9.200 -7.201 -5.516 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.668 -6.636 -4.742 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -10.790 -4.709 -6.233 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -9.219 -5.079 -6.916 1.00 0.77 H new ATOM 0 HE ARG B 78 -11.074 -7.300 -7.218 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -10.095 -4.166 -8.514 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -10.689 -4.521 -10.139 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -11.829 -7.753 -9.311 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -11.667 -6.544 -10.589 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.242 -4.665 -2.774 1.00 0.42 N ATOM 2838 CA LEU B 79 -5.519 -3.789 -1.854 1.00 0.45 C ATOM 2839 C LEU B 79 -4.325 -3.176 -2.549 1.00 0.46 C ATOM 2840 O LEU B 79 -3.817 -2.134 -2.134 1.00 0.53 O ATOM 2841 CB LEU B 79 -4.987 -4.538 -0.626 1.00 0.53 C ATOM 2842 CG LEU B 79 -5.878 -5.608 -0.018 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.213 -6.172 1.226 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.233 -5.045 0.321 1.00 0.88 C ATOM 0 H LEU B 79 -6.280 -5.643 -2.486 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.233 -3.031 -1.533 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.040 -5.004 -0.900 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -4.768 -3.803 0.148 1.00 0.53 H new ATOM 0 HG LEU B 79 -6.019 -6.407 -0.746 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -5.851 -6.940 1.663 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.251 -6.609 0.958 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -5.059 -5.372 1.951 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -7.854 -5.828 0.755 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -7.120 -4.232 1.038 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -7.707 -4.666 -0.585 1.00 0.88 H new ATOM 2856 N ILE B 80 -3.880 -3.827 -3.610 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.728 -3.369 -4.352 1.00 0.48 C ATOM 2858 C ILE B 80 -2.840 -1.865 -4.650 1.00 0.48 C ATOM 2859 O ILE B 80 -1.940 -1.092 -4.323 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.539 -4.236 -5.629 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -1.050 -4.391 -5.933 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -3.265 -3.652 -6.838 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.768 -5.162 -7.203 1.00 1.16 C ATOM 0 H ILE B 80 -4.305 -4.679 -3.975 1.00 0.44 H new ATOM 0 HA ILE B 80 -1.828 -3.494 -3.749 1.00 0.48 H new ATOM 0 HB ILE B 80 -2.979 -5.213 -5.431 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.599 -3.402 -6.011 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.568 -4.897 -5.096 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -3.103 -4.293 -7.704 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -4.333 -3.591 -6.627 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.879 -2.654 -7.047 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.309 -5.232 -7.354 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -1.189 -6.164 -7.121 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -1.221 -4.646 -8.050 1.00 1.16 H new ATOM 2875 N GLY B 81 -3.945 -1.462 -5.270 1.00 0.47 N ATOM 2876 CA GLY B 81 -4.168 -0.056 -5.558 1.00 0.49 C ATOM 2877 C GLY B 81 -4.777 0.698 -4.381 1.00 0.43 C ATOM 2878 O GLY B 81 -5.017 1.903 -4.471 1.00 0.43 O ATOM 0 H GLY B 81 -4.691 -2.085 -5.579 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -3.221 0.409 -5.831 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.827 0.033 -6.421 1.00 0.49 H new ATOM 2882 N GLU B 82 -5.036 -0.008 -3.274 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.652 0.596 -2.100 1.00 0.39 C ATOM 2884 C GLU B 82 -4.658 1.338 -1.242 1.00 0.33 C ATOM 2885 O GLU B 82 -4.745 2.553 -1.077 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.311 -0.461 -1.252 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.555 -1.054 -1.882 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.495 0.009 -2.415 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.095 0.735 -1.595 1.00 1.39 O ATOM 2890 OE2 GLU B 82 -8.629 0.117 -3.653 1.00 1.48 O ATOM 0 H GLU B 82 -4.826 -1.001 -3.173 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.388 1.309 -2.472 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.595 -1.260 -1.060 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.573 -0.029 -0.286 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.265 -1.720 -2.695 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.079 -1.661 -1.144 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.714 0.592 -0.677 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.693 1.178 0.172 1.00 0.35 C ATOM 2899 C LEU B 83 -2.071 2.361 -0.532 1.00 0.34 C ATOM 2900 O LEU B 83 -1.542 3.275 0.101 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.632 0.137 0.527 1.00 0.43 C ATOM 2902 CG LEU B 83 -1.995 -0.755 1.713 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -1.175 -2.037 1.698 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.790 -0.001 3.019 1.00 1.31 C ATOM 0 H LEU B 83 -3.638 -0.418 -0.794 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.150 1.520 1.101 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.453 -0.493 -0.344 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.696 0.650 0.747 1.00 0.43 H new ATOM 0 HG LEU B 83 -3.047 -1.029 1.630 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -1.451 -2.656 2.552 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -1.371 -2.583 0.775 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -0.115 -1.791 1.756 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -2.052 -0.647 3.857 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.746 0.300 3.105 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -2.425 0.885 3.031 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.145 2.334 -1.854 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.618 3.427 -2.640 1.00 0.37 C ATOM 2918 C ALA B 84 -2.521 4.658 -2.576 1.00 0.41 C ATOM 2919 O ALA B 84 -2.038 5.789 -2.633 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.415 3.007 -4.075 1.00 0.41 C ATOM 0 H ALA B 84 -2.560 1.575 -2.395 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.653 3.696 -2.210 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -1.018 3.846 -4.647 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.712 2.175 -4.115 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.369 2.696 -4.502 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.837 4.442 -2.452 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.795 5.554 -2.363 1.00 0.51 C ATOM 2928 C LYS B 85 -4.282 6.622 -1.421 1.00 0.50 C ATOM 2929 O LYS B 85 -4.619 7.790 -1.544 1.00 0.67 O ATOM 2930 CB LYS B 85 -6.169 5.068 -1.901 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.760 3.954 -2.750 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.769 3.123 -1.962 1.00 1.44 C ATOM 2933 CE LYS B 85 -8.788 3.979 -1.236 1.00 1.56 C ATOM 2934 NZ LYS B 85 -9.139 3.409 0.095 1.00 2.69 N ATOM 0 H LYS B 85 -4.261 3.515 -2.411 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.901 5.980 -3.361 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -6.090 4.720 -0.871 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.858 5.912 -1.901 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -7.246 4.382 -3.627 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -5.960 3.308 -3.113 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -8.287 2.446 -2.642 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -7.238 2.504 -1.239 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -8.392 4.986 -1.107 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -9.689 4.066 -1.843 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -9.505 4.163 0.710 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -9.866 2.674 -0.023 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -8.291 2.991 0.528 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.491 6.196 -0.462 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.897 7.103 0.499 1.00 0.45 C ATOM 2950 C GLU B 86 -1.624 7.717 -0.062 1.00 0.44 C ATOM 2951 O GLU B 86 -1.425 8.929 -0.016 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.587 6.356 1.787 1.00 0.48 C ATOM 2953 CG GLU B 86 -3.645 5.338 2.151 1.00 0.98 C ATOM 2954 CD GLU B 86 -5.030 5.950 2.263 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -5.162 7.003 2.916 1.00 2.90 O ATOM 2956 OE2 GLU B 86 -5.980 5.380 1.685 1.00 2.60 O ATOM 0 H GLU B 86 -3.241 5.217 -0.325 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.606 7.904 0.707 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -1.626 5.852 1.686 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -2.486 7.074 2.601 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -3.660 4.550 1.398 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -3.381 4.869 3.099 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.772 6.855 -0.602 1.00 0.44 N ATOM 2964 CA VAL B 87 0.510 7.265 -1.154 1.00 0.46 C ATOM 2965 C VAL B 87 0.374 8.186 -2.371 1.00 0.46 C ATOM 2966 O VAL B 87 1.151 9.128 -2.530 1.00 0.54 O ATOM 2967 CB VAL B 87 1.368 6.033 -1.522 1.00 0.55 C ATOM 2968 CG1 VAL B 87 2.629 6.461 -2.247 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.714 5.243 -0.269 1.00 0.81 C ATOM 0 H VAL B 87 -0.951 5.853 -0.669 1.00 0.44 H new ATOM 0 HA VAL B 87 1.007 7.838 -0.371 1.00 0.46 H new ATOM 0 HB VAL B 87 0.791 5.393 -2.190 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.221 5.581 -2.498 1.00 1.01 H new ATOM 0 HG12 VAL B 87 2.361 6.991 -3.161 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.213 7.119 -1.604 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.318 4.377 -0.540 1.00 0.81 H new ATOM 0 HG22 VAL B 87 2.275 5.877 0.417 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.797 4.908 0.215 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.604 7.916 -3.219 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.807 8.705 -4.435 1.00 0.51 C ATOM 2981 C ARG B 88 -0.640 10.208 -4.199 1.00 0.50 C ATOM 2982 O ARG B 88 0.357 10.796 -4.614 1.00 0.58 O ATOM 2983 CB ARG B 88 -2.182 8.398 -5.022 1.00 0.56 C ATOM 2984 CG ARG B 88 -2.358 8.890 -6.448 1.00 0.67 C ATOM 2985 CD ARG B 88 -3.601 8.299 -7.091 1.00 1.33 C ATOM 2986 NE ARG B 88 -3.519 6.845 -7.205 1.00 1.83 N ATOM 2987 CZ ARG B 88 -4.287 6.126 -8.016 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -5.193 6.725 -8.776 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -4.151 4.808 -8.067 1.00 3.50 N ATOM 0 H ARG B 88 -1.274 7.157 -3.093 1.00 0.49 H new ATOM 0 HA ARG B 88 -0.033 8.418 -5.147 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -2.347 7.321 -4.995 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.946 8.853 -4.392 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -2.427 9.978 -6.453 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -1.480 8.623 -7.037 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -4.477 8.568 -6.501 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -3.738 8.733 -8.081 1.00 1.33 H new ATOM 0 HE ARG B 88 -2.834 6.355 -6.630 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -5.301 7.739 -8.738 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -5.782 6.172 -9.399 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -3.455 4.344 -7.483 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -4.742 4.258 -8.691 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.607 10.823 -3.536 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.551 12.258 -3.260 1.00 0.49 C ATOM 3005 C LYS B 89 -0.388 12.576 -2.355 1.00 0.48 C ATOM 3006 O LYS B 89 0.217 13.645 -2.434 1.00 0.53 O ATOM 3007 CB LYS B 89 -2.829 12.734 -2.584 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.159 12.003 -1.286 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.559 11.401 -1.351 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.694 10.282 -2.377 1.00 2.46 C ATOM 3011 NZ LYS B 89 -4.825 10.784 -3.776 1.00 3.29 N ATOM 0 H LYS B 89 -2.440 10.356 -3.178 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.432 12.769 -4.215 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -2.741 13.800 -2.375 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.661 12.613 -3.278 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.426 11.216 -1.109 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -3.093 12.694 -0.446 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -4.826 11.015 -0.367 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -5.274 12.189 -1.589 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -3.823 9.630 -2.311 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -5.566 9.675 -2.132 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -5.393 10.114 -4.333 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -5.293 11.713 -3.769 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -3.881 10.875 -4.202 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.088 11.630 -1.493 1.00 0.47 N ATOM 3026 CA GLU B 90 0.985 11.770 -0.546 1.00 0.52 C ATOM 3027 C GLU B 90 2.341 11.823 -1.246 1.00 0.56 C ATOM 3028 O GLU B 90 3.358 12.114 -0.618 1.00 0.62 O ATOM 3029 CB GLU B 90 0.894 10.622 0.442 1.00 0.56 C ATOM 3030 CG GLU B 90 -0.234 10.813 1.436 1.00 0.62 C ATOM 3031 CD GLU B 90 -0.042 12.053 2.289 1.00 1.24 C ATOM 3032 OE1 GLU B 90 0.757 11.997 3.248 1.00 1.93 O ATOM 3033 OE2 GLU B 90 -0.689 13.081 1.997 1.00 1.93 O ATOM 0 H GLU B 90 -0.585 10.741 -1.432 1.00 0.47 H new ATOM 0 HA GLU B 90 0.891 12.714 -0.009 1.00 0.52 H new ATOM 0 HB2 GLU B 90 0.744 9.689 -0.100 1.00 0.56 H new ATOM 0 HB3 GLU B 90 1.838 10.531 0.979 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -1.180 10.886 0.900 1.00 0.62 H new ATOM 0 HG3 GLU B 90 -0.300 9.937 2.081 1.00 0.62 H new ATOM 3040 N LYS B 91 2.356 11.540 -2.551 1.00 0.54 N ATOM 3041 CA LYS B 91 3.588 11.599 -3.317 1.00 0.61 C ATOM 3042 C LYS B 91 4.128 13.020 -3.311 1.00 0.63 C ATOM 3043 O LYS B 91 5.301 13.253 -3.020 1.00 0.70 O ATOM 3044 CB LYS B 91 3.360 11.117 -4.753 1.00 0.62 C ATOM 3045 CG LYS B 91 2.645 12.122 -5.644 1.00 0.61 C ATOM 3046 CD LYS B 91 2.356 11.542 -7.020 1.00 0.67 C ATOM 3047 CE LYS B 91 1.731 12.579 -7.939 1.00 0.70 C ATOM 3048 NZ LYS B 91 1.403 12.012 -9.277 1.00 1.38 N ATOM 0 H LYS B 91 1.533 11.271 -3.089 1.00 0.54 H new ATOM 0 HA LYS B 91 4.321 10.938 -2.854 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.324 10.874 -5.200 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.780 10.195 -4.727 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.710 12.427 -5.173 1.00 0.61 H new ATOM 0 HG3 LYS B 91 3.257 13.018 -5.747 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.281 11.172 -7.462 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.685 10.688 -6.923 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.824 12.972 -7.479 1.00 0.70 H new ATOM 0 HE3 LYS B 91 2.417 13.418 -8.059 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 0.979 12.751 -9.873 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 2.272 11.660 -9.727 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 0.729 11.228 -9.166 1.00 1.38 H new ATOM 3062 N ALA B 92 3.257 13.967 -3.632 1.00 0.60 N ATOM 3063 CA ALA B 92 3.635 15.374 -3.651 1.00 0.65 C ATOM 3064 C ALA B 92 3.614 15.954 -2.252 1.00 0.63 C ATOM 3065 O ALA B 92 4.616 16.489 -1.785 1.00 0.69 O ATOM 3066 CB ALA B 92 2.723 16.161 -4.578 1.00 0.73 C ATOM 0 H ALA B 92 2.285 13.787 -3.883 1.00 0.60 H new ATOM 0 HA ALA B 92 4.653 15.450 -4.032 1.00 0.65 H new ATOM 0 HB1 ALA B 92 3.022 17.209 -4.578 1.00 0.73 H new ATOM 0 HB2 ALA B 92 2.800 15.762 -5.589 1.00 0.73 H new ATOM 0 HB3 ALA B 92 1.693 16.077 -4.232 1.00 0.73 H new ATOM 3072 N LEU B 93 2.477 15.841 -1.573 1.00 0.62 N ATOM 3073 CA LEU B 93 2.361 16.360 -0.218 1.00 0.65 C ATOM 3074 C LEU B 93 3.515 15.859 0.640 1.00 0.59 C ATOM 3075 O LEU B 93 3.902 16.496 1.621 1.00 0.63 O ATOM 3076 CB LEU B 93 1.034 15.954 0.411 1.00 0.74 C ATOM 3077 CG LEU B 93 0.795 16.548 1.797 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.674 16.894 1.987 1.00 1.03 C ATOM 3079 CD2 LEU B 93 1.262 15.586 2.878 1.00 0.95 C ATOM 0 H LEU B 93 1.632 15.399 -1.935 1.00 0.62 H new ATOM 0 HA LEU B 93 2.399 17.448 -0.270 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.222 16.260 -0.249 1.00 0.74 H new ATOM 0 HB3 LEU B 93 0.995 14.867 0.481 1.00 0.74 H new ATOM 0 HG LEU B 93 1.376 17.467 1.880 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.823 17.316 2.981 1.00 1.03 H new ATOM 0 HD12 LEU B 93 -0.976 17.622 1.235 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -1.277 15.992 1.882 1.00 1.03 H new ATOM 0 HD21 LEU B 93 1.084 16.027 3.859 1.00 0.95 H new ATOM 0 HD22 LEU B 93 0.710 14.650 2.795 1.00 0.95 H new ATOM 0 HD23 LEU B 93 2.327 15.391 2.756 1.00 0.95 H new ATOM 3091 N GLY B 94 4.059 14.707 0.258 1.00 0.53 N ATOM 3092 CA GLY B 94 5.180 14.135 0.973 1.00 0.51 C ATOM 3093 C GLY B 94 6.267 15.144 1.222 1.00 0.52 C ATOM 3094 O GLY B 94 7.020 15.041 2.190 1.00 0.57 O ATOM 0 H GLY B 94 3.739 14.158 -0.540 1.00 0.53 H new ATOM 0 HA2 GLY B 94 4.835 13.733 1.925 1.00 0.51 H new ATOM 0 HA3 GLY B 94 5.585 13.300 0.402 1.00 0.51 H new ATOM 3098 N ILE B 95 6.353 16.111 0.319 1.00 0.53 N ATOM 3099 CA ILE B 95 7.380 17.136 0.384 1.00 0.57 C ATOM 3100 C ILE B 95 7.267 18.027 1.600 1.00 0.60 C ATOM 3101 O ILE B 95 7.055 19.232 1.483 1.00 0.67 O ATOM 3102 CB ILE B 95 7.397 18.004 -0.881 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.089 18.807 -1.022 1.00 1.32 C ATOM 3104 CG2 ILE B 95 7.658 17.121 -2.078 1.00 1.13 C ATOM 3105 CD1 ILE B 95 5.768 19.254 -2.437 1.00 1.68 C ATOM 0 H ILE B 95 5.717 16.205 -0.473 1.00 0.53 H new ATOM 0 HA ILE B 95 8.319 16.588 0.463 1.00 0.57 H new ATOM 0 HB ILE B 95 8.199 18.739 -0.811 1.00 0.63 H new ATOM 0 HG12 ILE B 95 5.264 18.199 -0.652 1.00 1.32 H new ATOM 0 HG13 ILE B 95 6.148 19.687 -0.382 1.00 1.32 H new ATOM 0 HG21 ILE B 95 7.672 17.729 -2.983 1.00 1.13 H new ATOM 0 HG22 ILE B 95 8.621 16.624 -1.960 1.00 1.13 H new ATOM 0 HG23 ILE B 95 6.870 16.372 -2.156 1.00 1.13 H new ATOM 0 HD11 ILE B 95 4.831 19.811 -2.439 1.00 1.68 H new ATOM 0 HD12 ILE B 95 6.570 19.892 -2.808 1.00 1.68 H new ATOM 0 HD13 ILE B 95 5.672 18.380 -3.082 1.00 1.68 H new ATOM 3117 N ARG B 96 7.412 17.440 2.773 1.00 0.64 N ATOM 3118 CA ARG B 96 7.395 18.223 3.989 1.00 0.74 C ATOM 3119 C ARG B 96 8.519 19.254 3.913 1.00 0.82 C ATOM 3120 O ARG B 96 8.502 20.263 4.618 1.00 0.93 O ATOM 3121 CB ARG B 96 7.560 17.324 5.214 1.00 0.84 C ATOM 3122 CG ARG B 96 6.378 16.396 5.446 1.00 1.65 C ATOM 3123 CD ARG B 96 5.084 17.175 5.627 1.00 2.45 C ATOM 3124 NE ARG B 96 3.956 16.300 5.938 1.00 2.91 N ATOM 3125 CZ ARG B 96 2.805 16.735 6.442 1.00 3.85 C ATOM 3126 NH1 ARG B 96 2.633 18.025 6.697 1.00 4.47 N ATOM 3127 NH2 ARG B 96 1.824 15.878 6.692 1.00 4.48 N ATOM 0 H ARG B 96 7.541 16.437 2.907 1.00 0.64 H new ATOM 0 HA ARG B 96 6.436 18.732 4.089 1.00 0.74 H new ATOM 0 HB2 ARG B 96 8.464 16.726 5.098 1.00 0.84 H new ATOM 0 HB3 ARG B 96 7.701 17.948 6.097 1.00 0.84 H new ATOM 0 HG2 ARG B 96 6.278 15.714 4.601 1.00 1.65 H new ATOM 0 HG3 ARG B 96 6.562 15.784 6.329 1.00 1.65 H new ATOM 0 HD2 ARG B 96 5.209 17.904 6.428 1.00 2.45 H new ATOM 0 HD3 ARG B 96 4.868 17.735 4.717 1.00 2.45 H new ATOM 0 HE ARG B 96 4.057 15.301 5.759 1.00 2.91 H new ATOM 0 HH11 ARG B 96 3.385 18.687 6.506 1.00 4.47 H new ATOM 0 HH12 ARG B 96 1.749 18.355 7.084 1.00 4.47 H new ATOM 0 HH21 ARG B 96 1.952 14.885 6.498 1.00 4.48 H new ATOM 0 HH22 ARG B 96 0.941 16.212 7.079 1.00 4.48 H new ATOM 3141 N LYS B 97 9.503 18.984 3.040 1.00 0.82 N ATOM 3142 CA LYS B 97 10.616 19.893 2.839 1.00 0.94 C ATOM 3143 C LYS B 97 10.290 20.875 1.722 1.00 0.93 C ATOM 3144 O LYS B 97 10.675 20.673 0.570 1.00 0.98 O ATOM 3145 CB LYS B 97 11.913 19.135 2.504 1.00 1.07 C ATOM 3146 CG LYS B 97 11.881 17.642 2.815 1.00 1.00 C ATOM 3147 CD LYS B 97 11.562 17.372 4.275 1.00 1.56 C ATOM 3148 CE LYS B 97 10.930 16.001 4.452 1.00 1.83 C ATOM 3149 NZ LYS B 97 10.825 15.621 5.888 1.00 2.90 N ATOM 0 H LYS B 97 9.540 18.141 2.468 1.00 0.82 H new ATOM 0 HA LYS B 97 10.775 20.436 3.771 1.00 0.94 H new ATOM 0 HB2 LYS B 97 12.130 19.266 1.444 1.00 1.07 H new ATOM 0 HB3 LYS B 97 12.736 19.589 3.057 1.00 1.07 H new ATOM 0 HG2 LYS B 97 11.136 17.156 2.185 1.00 1.00 H new ATOM 0 HG3 LYS B 97 12.846 17.199 2.567 1.00 1.00 H new ATOM 0 HD2 LYS B 97 12.475 17.434 4.868 1.00 1.56 H new ATOM 0 HD3 LYS B 97 10.885 18.139 4.651 1.00 1.56 H new ATOM 0 HE2 LYS B 97 9.937 15.998 4.002 1.00 1.83 H new ATOM 0 HE3 LYS B 97 11.523 15.256 3.921 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 10.389 14.680 5.967 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 11.775 15.599 6.312 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 10.238 16.318 6.389 1.00 2.90 H new ATOM 3163 N LYS B 98 9.572 21.934 2.073 1.00 0.96 N ATOM 3164 CA LYS B 98 9.186 22.954 1.107 1.00 1.06 C ATOM 3165 C LYS B 98 9.921 24.265 1.372 1.00 1.21 C ATOM 3166 O LYS B 98 9.410 25.077 2.171 1.00 1.61 O ATOM 3167 CB LYS B 98 7.673 23.176 1.155 1.00 1.07 C ATOM 3168 CG LYS B 98 6.869 22.072 0.483 1.00 1.07 C ATOM 3169 CD LYS B 98 6.581 22.403 -0.973 1.00 1.52 C ATOM 3170 CE LYS B 98 7.863 22.537 -1.777 1.00 2.00 C ATOM 3171 NZ LYS B 98 7.590 22.828 -3.212 1.00 2.73 N ATOM 3172 OXT LYS B 98 11.001 24.467 0.778 1.00 1.70 O ATOM 0 H LYS B 98 9.244 22.109 3.023 1.00 0.96 H new ATOM 0 HA LYS B 98 9.464 22.606 0.112 1.00 1.06 H new ATOM 0 HB2 LYS B 98 7.360 23.259 2.196 1.00 1.07 H new ATOM 0 HB3 LYS B 98 7.439 24.126 0.675 1.00 1.07 H new ATOM 0 HG2 LYS B 98 7.418 21.132 0.542 1.00 1.07 H new ATOM 0 HG3 LYS B 98 5.930 21.927 1.017 1.00 1.07 H new ATOM 0 HD2 LYS B 98 5.957 21.622 -1.408 1.00 1.52 H new ATOM 0 HD3 LYS B 98 6.015 23.333 -1.031 1.00 1.52 H new ATOM 0 HE2 LYS B 98 8.475 23.334 -1.355 1.00 2.00 H new ATOM 0 HE3 LYS B 98 8.440 21.616 -1.697 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 8.490 22.912 -3.726 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 7.028 22.055 -3.622 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 7.061 23.720 -3.291 1.00 2.73 H new