USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1051 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 107 ASN : amide:sc= 0.809 X(o=1.9,f=1.7) USER MOD Set 1.2: A 109 SER OG : rot -93:sc= 1.13 USER MOD Set 2.1: A 36 GLN :FLIP amide:sc= -0.258 F(o=0.82,f=2.3) USER MOD Set 2.2: A 38 GLN : amide:sc= 1.66 K(o=2.3,f=-17!) USER MOD Set 2.3: A 50 LYS NZ :NH3+ 176:sc= 0.905 (180deg=-0.0424) USER MOD Set 3.1: A 34 HIS : no HE2:sc= -0.364 K(o=-0.25,f=-2.3) USER MOD Set 3.2: A 52 THR OG1 : rot 100:sc= 0.111 USER MOD Set 4.1: A 33 GLN : amide:sc= 0.46 K(o=1.3,f=-3.3!) USER MOD Set 4.2: A 51 SER OG : rot 162:sc= 0.829 USER MOD Set 5.1: A 11 ASN : amide:sc= -0.259 K(o=0.84,f=-16!) USER MOD Set 5.2: A 105 LYS NZ :NH3+ 180:sc= 1.1 (180deg=-0.0143) USER MOD Set 6.1: A 8 TYR OH : rot 33:sc= 0.984 USER MOD Set 6.2: A 14 HIS :FLIP no HD1:sc= -0.88 F(o=-0.53,f=0.1) USER MOD Set 7.1: A 5 LYS NZ :NH3+ 144:sc= 1.89 (180deg=-0.922) USER MOD Set 7.2: A 131 SER OG : rot 75:sc= 1.62 USER MOD Set 8.1: A 1 TYR OH : rot 152:sc= 0.946 USER MOD Set 8.2: A 2 LYS NZ :NH3+ 168:sc= 1.2 (180deg=-0.0997) USER MOD Single : A 1 TYR N :NH3+ -145:sc= 0.129 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0279) USER MOD Single : A 9 CYS SG : rot -127:sc= -1.18 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 27 THR OG1 : rot -70:sc= -2.13 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 54:sc= 0.687 USER MOD Single : A 43 SER OG : rot -121:sc= 1.21 USER MOD Single : A 48 TYR OH : rot 130:sc= -0.0973 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 56 GLN : amide:sc= -1.84! C(o=-1.8!,f=-5!) USER MOD Single : A 57 TYR OH : rot 166:sc= 0.384 USER MOD Single : A 60 MET CE :methyl -156:sc= -0.273 (180deg=-0.989) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -137:sc= 0.546 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.414 K(o=-0.41,f=-1) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.278 K(o=0.28,f=-8.5!) USER MOD Single : A 76 CYS SG : rot 78:sc= -0.526 USER MOD Single : A 85 ASN : amide:sc= -0.123 K(o=-0.12,f=-0.9) USER MOD Single : A 86 HIS :FLIP no HE2:sc= -0.817 F(o=-1.4,f=-0.82) USER MOD Single : A 87 TYR OH : rot 52:sc= 1.24 USER MOD Single : A 88 ASN :FLIP amide:sc= 0.886 F(o=-2.5,f=0.89) USER MOD Single : A 89 THR OG1 : rot -150:sc= -0.485 USER MOD Single : A 90 TYR OH : rot 55:sc= 1.22 USER MOD Single : A 92 SER OG : rot 180:sc= 0.1 USER MOD Single : A 93 LYS NZ :NH3+ -149:sc= 0.971 (180deg=-0.421!) USER MOD Single : A 94 LYS NZ :NH3+ -177:sc= 2.12 (180deg=1.95) USER MOD Single : A 95 HIS : no HD1:sc= 0.818 K(o=0.82,f=-7.3!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.00574 K(o=0.0057,f=-5.4!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 180:sc= -0.512 USER MOD Single : A 111 LYS NZ :NH3+ -168:sc= 0.985 (180deg=0.895) USER MOD Single : A 116 THR OG1 : rot 171:sc= 0.891 USER MOD Single : A 117 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-2.2) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.543 K(o=-0.54,f=-1.6) USER MOD Single : A 121 LYS NZ :NH3+ -178:sc= -0.0074 (180deg=-0.0708) USER MOD Single : A 132 SER OG : rot -157:sc= 0.565 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.672 -1.437 -9.189 1.00 0.54 N ATOM 2 CA TYR A 1 14.484 -1.939 -8.453 1.00 0.51 C ATOM 3 C TYR A 1 14.267 -1.178 -7.134 1.00 0.43 C ATOM 4 O TYR A 1 13.135 -0.840 -6.796 1.00 0.59 O ATOM 5 CB TYR A 1 14.616 -3.450 -8.181 1.00 0.57 C ATOM 6 CG TYR A 1 15.640 -3.806 -7.123 1.00 0.55 C ATOM 7 CD1 TYR A 1 15.282 -3.881 -5.783 1.00 0.53 C ATOM 8 CD2 TYR A 1 16.961 -4.058 -7.463 1.00 0.77 C ATOM 9 CE1 TYR A 1 16.213 -4.190 -4.812 1.00 0.65 C ATOM 10 CE2 TYR A 1 17.899 -4.374 -6.498 1.00 0.93 C ATOM 11 CZ TYR A 1 17.520 -4.438 -5.174 1.00 0.85 C ATOM 12 OH TYR A 1 18.458 -4.720 -4.206 1.00 1.08 O ATOM 0 H1 TYR A 1 15.491 -1.483 -10.212 1.00 0.54 H new ATOM 0 H2 TYR A 1 15.860 -0.452 -8.914 1.00 0.54 H new ATOM 0 H3 TYR A 1 16.498 -2.025 -8.957 1.00 0.54 H new ATOM 0 HA TYR A 1 13.612 -1.766 -9.084 1.00 0.51 H new ATOM 0 HB2 TYR A 1 13.645 -3.838 -7.875 1.00 0.57 H new ATOM 0 HB3 TYR A 1 14.882 -3.953 -9.111 1.00 0.57 H new ATOM 0 HD1 TYR A 1 14.258 -3.694 -5.496 1.00 0.53 H new ATOM 0 HD2 TYR A 1 17.262 -4.006 -8.499 1.00 0.77 H new ATOM 0 HE1 TYR A 1 15.919 -4.237 -3.774 1.00 0.65 H new ATOM 0 HE2 TYR A 1 18.923 -4.570 -6.780 1.00 0.93 H new ATOM 0 HH TYR A 1 19.159 -5.290 -4.586 1.00 1.08 H new ATOM 24 N LYS A 2 15.346 -0.895 -6.390 1.00 0.35 N ATOM 25 CA LYS A 2 15.213 -0.190 -5.117 1.00 0.39 C ATOM 26 C LYS A 2 15.388 1.319 -5.291 1.00 0.34 C ATOM 27 O LYS A 2 16.492 1.813 -5.507 1.00 0.48 O ATOM 28 CB LYS A 2 16.182 -0.751 -4.051 1.00 0.54 C ATOM 29 CG LYS A 2 17.663 -0.423 -4.243 1.00 0.73 C ATOM 30 CD LYS A 2 18.316 -1.304 -5.297 1.00 1.05 C ATOM 31 CE LYS A 2 19.763 -1.638 -4.939 1.00 1.15 C ATOM 32 NZ LYS A 2 19.863 -2.566 -3.776 1.00 1.40 N ATOM 0 H LYS A 2 16.302 -1.140 -6.646 1.00 0.35 H new ATOM 0 HA LYS A 2 14.199 -0.363 -4.757 1.00 0.39 H new ATOM 0 HB2 LYS A 2 15.872 -0.376 -3.076 1.00 0.54 H new ATOM 0 HB3 LYS A 2 16.072 -1.835 -4.025 1.00 0.54 H new ATOM 0 HG2 LYS A 2 17.767 0.623 -4.531 1.00 0.73 H new ATOM 0 HG3 LYS A 2 18.186 -0.546 -3.295 1.00 0.73 H new ATOM 0 HD2 LYS A 2 17.746 -2.227 -5.404 1.00 1.05 H new ATOM 0 HD3 LYS A 2 18.288 -0.798 -6.262 1.00 1.05 H new ATOM 0 HE2 LYS A 2 20.253 -2.088 -5.802 1.00 1.15 H new ATOM 0 HE3 LYS A 2 20.300 -0.717 -4.712 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 20.837 -2.921 -3.698 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 19.609 -2.059 -2.904 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 19.213 -3.366 -3.913 1.00 1.40 H new ATOM 46 N LYS A 3 14.276 2.035 -5.216 1.00 0.28 N ATOM 47 CA LYS A 3 14.268 3.486 -5.349 1.00 0.26 C ATOM 48 C LYS A 3 13.142 4.067 -4.497 1.00 0.26 C ATOM 49 O LYS A 3 12.145 3.387 -4.249 1.00 0.29 O ATOM 50 CB LYS A 3 14.088 3.898 -6.816 1.00 0.30 C ATOM 51 CG LYS A 3 15.390 3.964 -7.603 1.00 0.49 C ATOM 52 CD LYS A 3 15.144 4.274 -9.075 1.00 0.55 C ATOM 53 CE LYS A 3 16.422 4.708 -9.784 1.00 0.78 C ATOM 54 NZ LYS A 3 17.484 3.667 -9.721 1.00 1.18 N ATOM 0 H LYS A 3 13.354 1.628 -5.061 1.00 0.28 H new ATOM 0 HA LYS A 3 15.225 3.877 -5.003 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.417 3.190 -7.302 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.603 4.874 -6.852 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.037 4.729 -7.173 1.00 0.49 H new ATOM 0 HG3 LYS A 3 15.917 3.014 -7.514 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.736 3.392 -9.569 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.396 5.062 -9.160 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.198 4.933 -10.827 1.00 0.78 H new ATOM 0 HE3 LYS A 3 16.791 5.628 -9.332 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 18.288 3.955 -10.314 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 17.802 3.555 -8.737 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 17.105 2.763 -10.068 1.00 1.18 H new ATOM 68 N PRO A 4 13.295 5.318 -4.025 1.00 0.28 N ATOM 69 CA PRO A 4 12.279 5.982 -3.198 1.00 0.30 C ATOM 70 C PRO A 4 10.906 5.997 -3.869 1.00 0.27 C ATOM 71 O PRO A 4 10.615 6.855 -4.704 1.00 0.35 O ATOM 72 CB PRO A 4 12.821 7.406 -3.032 1.00 0.35 C ATOM 73 CG PRO A 4 14.290 7.277 -3.244 1.00 0.43 C ATOM 74 CD PRO A 4 14.466 6.182 -4.256 1.00 0.37 C ATOM 0 HA PRO A 4 12.123 5.466 -2.251 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.374 8.087 -3.757 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.597 7.802 -2.042 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.716 8.213 -3.604 1.00 0.43 H new ATOM 0 HG3 PRO A 4 14.799 7.033 -2.312 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.483 6.573 -5.273 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.401 5.642 -4.106 1.00 0.37 H new ATOM 82 N LYS A 5 10.078 5.027 -3.511 1.00 0.24 N ATOM 83 CA LYS A 5 8.739 4.909 -4.066 1.00 0.22 C ATOM 84 C LYS A 5 7.717 5.557 -3.127 1.00 0.25 C ATOM 85 O LYS A 5 8.018 5.838 -1.967 1.00 0.48 O ATOM 86 CB LYS A 5 8.401 3.427 -4.295 1.00 0.24 C ATOM 87 CG LYS A 5 7.156 3.187 -5.142 1.00 0.24 C ATOM 88 CD LYS A 5 7.082 1.746 -5.628 1.00 0.34 C ATOM 89 CE LYS A 5 5.837 1.496 -6.474 1.00 0.35 C ATOM 90 NZ LYS A 5 5.936 0.249 -7.281 1.00 0.40 N ATOM 0 H LYS A 5 10.314 4.304 -2.832 1.00 0.24 H new ATOM 0 HA LYS A 5 8.701 5.429 -5.023 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.251 2.943 -4.776 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.265 2.944 -3.327 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.266 3.421 -4.558 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.162 3.861 -5.998 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.972 1.514 -6.213 1.00 0.34 H new ATOM 0 HD3 LYS A 5 7.080 1.073 -4.771 1.00 0.34 H new ATOM 0 HE2 LYS A 5 4.965 1.435 -5.822 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.678 2.344 -7.140 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 5.002 -0.206 -7.334 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.262 0.482 -8.241 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.613 -0.401 -6.833 1.00 0.40 H new ATOM 104 N LEU A 6 6.519 5.811 -3.638 1.00 0.22 N ATOM 105 CA LEU A 6 5.451 6.402 -2.840 1.00 0.23 C ATOM 106 C LEU A 6 4.110 5.808 -3.255 1.00 0.22 C ATOM 107 O LEU A 6 3.985 5.266 -4.356 1.00 0.25 O ATOM 108 CB LEU A 6 5.429 7.930 -2.978 1.00 0.27 C ATOM 109 CG LEU A 6 5.224 8.470 -4.398 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.552 9.836 -4.356 1.00 0.45 C ATOM 111 CD2 LEU A 6 6.553 8.559 -5.132 1.00 0.50 C ATOM 0 H LEU A 6 6.261 5.616 -4.606 1.00 0.22 H new ATOM 0 HA LEU A 6 5.638 6.170 -1.791 1.00 0.23 H new ATOM 0 HB2 LEU A 6 4.635 8.322 -2.343 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.369 8.324 -2.592 1.00 0.27 H new ATOM 0 HG LEU A 6 4.576 7.779 -4.937 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.414 10.205 -5.372 1.00 0.45 H new ATOM 0 HD12 LEU A 6 3.582 9.749 -3.866 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.179 10.533 -3.799 1.00 0.45 H new ATOM 0 HD21 LEU A 6 6.388 8.944 -6.138 1.00 0.50 H new ATOM 0 HD22 LEU A 6 7.223 9.229 -4.592 1.00 0.50 H new ATOM 0 HD23 LEU A 6 7.002 7.568 -5.192 1.00 0.50 H new ATOM 123 N LEU A 7 3.123 5.904 -2.370 1.00 0.24 N ATOM 124 CA LEU A 7 1.793 5.367 -2.630 1.00 0.26 C ATOM 125 C LEU A 7 0.753 6.487 -2.606 1.00 0.22 C ATOM 126 O LEU A 7 0.167 6.783 -1.565 1.00 0.24 O ATOM 127 CB LEU A 7 1.448 4.297 -1.588 1.00 0.32 C ATOM 128 CG LEU A 7 0.074 3.641 -1.749 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.009 2.839 -3.039 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.231 2.755 -0.552 1.00 0.46 C ATOM 0 H LEU A 7 3.221 6.353 -1.459 1.00 0.24 H new ATOM 0 HA LEU A 7 1.785 4.910 -3.620 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.210 3.518 -1.626 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.502 4.748 -0.597 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.680 4.427 -1.800 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.976 2.381 -3.134 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.185 3.500 -3.888 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.771 2.060 -3.022 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.211 2.295 -0.680 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.528 1.976 -0.473 1.00 0.46 H new ATOM 0 HD23 LEU A 7 -0.229 3.357 0.356 1.00 0.46 H new ATOM 142 N TYR A 8 0.521 7.097 -3.759 1.00 0.22 N ATOM 143 CA TYR A 8 -0.431 8.192 -3.865 1.00 0.21 C ATOM 144 C TYR A 8 -1.852 7.666 -4.043 1.00 0.21 C ATOM 145 O TYR A 8 -2.156 6.983 -5.024 1.00 0.29 O ATOM 146 CB TYR A 8 -0.062 9.100 -5.041 1.00 0.24 C ATOM 147 CG TYR A 8 -0.527 10.531 -4.879 1.00 0.28 C ATOM 148 CD1 TYR A 8 -1.881 10.842 -4.816 1.00 0.37 C ATOM 149 CD2 TYR A 8 0.389 11.569 -4.787 1.00 0.46 C ATOM 150 CE1 TYR A 8 -2.303 12.149 -4.666 1.00 0.46 C ATOM 151 CE2 TYR A 8 -0.026 12.877 -4.637 1.00 0.56 C ATOM 152 CZ TYR A 8 -1.372 13.163 -4.576 1.00 0.50 C ATOM 153 OH TYR A 8 -1.788 14.467 -4.423 1.00 0.63 O ATOM 0 H TYR A 8 0.980 6.851 -4.636 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.390 8.767 -2.940 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.021 9.092 -5.168 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.493 8.689 -5.954 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.613 10.051 -4.885 1.00 0.37 H new ATOM 0 HD2 TYR A 8 1.445 11.350 -4.834 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -3.358 12.376 -4.619 1.00 0.46 H new ATOM 0 HE2 TYR A 8 0.701 13.672 -4.568 1.00 0.56 H new ATOM 0 HH TYR A 8 -2.614 14.487 -3.896 1.00 0.63 H new ATOM 163 N CYS A 9 -2.712 7.967 -3.082 1.00 0.23 N ATOM 164 CA CYS A 9 -4.104 7.546 -3.138 1.00 0.27 C ATOM 165 C CYS A 9 -4.957 8.676 -3.706 1.00 0.28 C ATOM 166 O CYS A 9 -5.010 9.771 -3.140 1.00 0.30 O ATOM 167 CB CYS A 9 -4.596 7.152 -1.744 1.00 0.30 C ATOM 168 SG CYS A 9 -3.598 5.867 -0.951 1.00 0.37 S ATOM 0 H CYS A 9 -2.469 8.504 -2.250 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.189 6.676 -3.789 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.603 8.037 -1.108 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.626 6.804 -1.818 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.370 4.896 -0.563 1.00 0.37 H new ATOM 174 N SER A 10 -5.617 8.417 -4.829 1.00 0.37 N ATOM 175 CA SER A 10 -6.445 9.427 -5.474 1.00 0.42 C ATOM 176 C SER A 10 -7.745 9.664 -4.692 1.00 0.39 C ATOM 177 O SER A 10 -8.842 9.401 -5.191 1.00 0.51 O ATOM 178 CB SER A 10 -6.747 9.012 -6.919 1.00 0.56 C ATOM 179 OG SER A 10 -7.042 10.139 -7.728 1.00 1.23 O ATOM 0 H SER A 10 -5.595 7.518 -5.310 1.00 0.37 H new ATOM 0 HA SER A 10 -5.893 10.367 -5.485 1.00 0.42 H new ATOM 0 HB2 SER A 10 -5.891 8.479 -7.333 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.590 8.321 -6.933 1.00 0.56 H new ATOM 0 HG SER A 10 -7.229 9.844 -8.644 1.00 1.23 H new ATOM 185 N ASN A 11 -7.611 10.159 -3.463 1.00 0.33 N ATOM 186 CA ASN A 11 -8.771 10.442 -2.617 1.00 0.36 C ATOM 187 C ASN A 11 -8.700 11.867 -2.066 1.00 0.35 C ATOM 188 O ASN A 11 -9.261 12.165 -1.012 1.00 0.47 O ATOM 189 CB ASN A 11 -8.866 9.431 -1.463 1.00 0.44 C ATOM 190 CG ASN A 11 -10.159 9.557 -0.664 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.163 9.430 0.566 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.273 9.789 -1.347 1.00 0.75 N ATOM 0 H ASN A 11 -6.712 10.373 -3.030 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.667 10.349 -3.231 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.791 8.421 -1.865 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.017 9.571 -0.794 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -12.164 9.867 -0.857 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -11.238 9.889 -2.361 1.00 0.75 H new ATOM 199 N GLY A 12 -8.033 12.749 -2.807 1.00 0.38 N ATOM 200 CA GLY A 12 -7.895 14.126 -2.381 1.00 0.45 C ATOM 201 C GLY A 12 -6.805 14.306 -1.344 1.00 0.46 C ATOM 202 O GLY A 12 -6.905 13.789 -0.230 1.00 0.87 O ATOM 0 H GLY A 12 -7.585 12.531 -3.697 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.675 14.750 -3.247 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.843 14.473 -1.971 1.00 0.45 H new ATOM 206 N GLY A 13 -5.761 15.041 -1.710 1.00 0.38 N ATOM 207 CA GLY A 13 -4.669 15.280 -0.788 1.00 0.36 C ATOM 208 C GLY A 13 -3.396 14.574 -1.205 1.00 0.31 C ATOM 209 O GLY A 13 -3.149 14.375 -2.395 1.00 0.40 O ATOM 0 H GLY A 13 -5.652 15.474 -2.627 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.482 16.352 -0.721 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.958 14.944 0.208 1.00 0.36 H new ATOM 213 N HIS A 14 -2.581 14.209 -0.226 1.00 0.26 N ATOM 214 CA HIS A 14 -1.323 13.516 -0.481 1.00 0.24 C ATOM 215 C HIS A 14 -1.130 12.410 0.549 1.00 0.22 C ATOM 216 O HIS A 14 -1.513 12.567 1.710 1.00 0.30 O ATOM 217 CB HIS A 14 -0.150 14.501 -0.446 1.00 0.28 C ATOM 218 CG HIS A 14 -0.035 15.338 -1.682 1.00 0.38 C ATOM 219 ND1 HIS A 14 0.803 15.235 -2.737 1.00 0.60 N flip ATOM 220 CD2 HIS A 14 -0.846 16.420 -1.945 1.00 0.53 C flip ATOM 221 CE1 HIS A 14 0.485 16.242 -3.613 1.00 0.72 C flip ATOM 222 NE2 HIS A 14 -0.514 16.942 -3.111 1.00 0.66 N flip ATOM 0 H HIS A 14 -2.770 14.382 0.761 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.357 13.070 -1.475 1.00 0.24 H new ATOM 0 HB2 HIS A 14 -0.262 15.156 0.418 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.777 13.945 -0.306 1.00 0.28 H new ATOM 0 HD2 HIS A 14 -1.631 16.784 -1.298 1.00 0.53 H new ATOM 0 HE1 HIS A 14 0.972 16.431 -4.558 1.00 0.72 H new ATOM 0 HE2 HIS A 14 -0.955 17.750 -3.550 1.00 0.66 H new ATOM 231 N PHE A 15 -0.544 11.293 0.129 1.00 0.20 N ATOM 232 CA PHE A 15 -0.335 10.159 1.023 1.00 0.21 C ATOM 233 C PHE A 15 1.041 9.538 0.805 1.00 0.21 C ATOM 234 O PHE A 15 1.394 9.185 -0.320 1.00 0.23 O ATOM 235 CB PHE A 15 -1.420 9.100 0.792 1.00 0.27 C ATOM 236 CG PHE A 15 -2.823 9.650 0.805 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.345 10.288 -0.312 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.620 9.527 1.932 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.630 10.793 -0.302 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.906 10.030 1.946 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.412 10.664 0.828 1.00 0.45 C ATOM 0 H PHE A 15 -0.206 11.149 -0.823 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.393 10.522 2.049 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.240 8.613 -0.166 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.334 8.332 1.561 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.739 10.391 -1.200 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -3.231 9.032 2.809 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.023 11.288 -1.178 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.516 9.928 2.831 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.418 11.058 0.838 1.00 0.45 H new ATOM 251 N LEU A 16 1.816 9.423 1.885 1.00 0.20 N ATOM 252 CA LEU A 16 3.154 8.828 1.818 1.00 0.22 C ATOM 253 C LEU A 16 3.850 8.841 3.187 1.00 0.23 C ATOM 254 O LEU A 16 5.061 9.058 3.277 1.00 0.33 O ATOM 255 CB LEU A 16 4.022 9.552 0.772 1.00 0.23 C ATOM 256 CG LEU A 16 3.968 11.086 0.796 1.00 0.24 C ATOM 257 CD1 LEU A 16 4.832 11.648 1.918 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.399 11.656 -0.549 1.00 0.45 C ATOM 0 H LEU A 16 1.541 9.734 2.817 1.00 0.20 H new ATOM 0 HA LEU A 16 3.032 7.788 1.515 1.00 0.22 H new ATOM 0 HB2 LEU A 16 5.058 9.243 0.912 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.719 9.213 -0.219 1.00 0.23 H new ATOM 0 HG LEU A 16 2.937 11.384 0.985 1.00 0.24 H new ATOM 0 HD11 LEU A 16 4.775 12.736 1.911 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.474 11.272 2.876 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.867 11.338 1.771 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.355 12.745 -0.514 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.419 11.341 -0.767 1.00 0.45 H new ATOM 0 HD23 LEU A 16 3.732 11.291 -1.330 1.00 0.45 H new ATOM 270 N ARG A 17 3.098 8.583 4.256 1.00 0.24 N ATOM 271 CA ARG A 17 3.679 8.574 5.596 1.00 0.26 C ATOM 272 C ARG A 17 3.143 7.416 6.426 1.00 0.22 C ATOM 273 O ARG A 17 1.940 7.153 6.446 1.00 0.29 O ATOM 274 CB ARG A 17 3.415 9.900 6.312 1.00 0.34 C ATOM 275 CG ARG A 17 4.142 10.018 7.647 1.00 0.47 C ATOM 276 CD ARG A 17 4.062 11.426 8.216 1.00 0.53 C ATOM 277 NE ARG A 17 2.690 11.815 8.548 1.00 0.54 N ATOM 278 CZ ARG A 17 2.359 12.933 9.199 1.00 0.72 C ATOM 279 NH1 ARG A 17 3.301 13.751 9.668 1.00 0.85 N ATOM 280 NH2 ARG A 17 1.077 13.228 9.384 1.00 0.86 N ATOM 0 H ARG A 17 2.099 8.380 4.222 1.00 0.24 H new ATOM 0 HA ARG A 17 4.755 8.443 5.484 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.722 10.722 5.665 1.00 0.34 H new ATOM 0 HB3 ARG A 17 2.343 10.008 6.479 1.00 0.34 H new ATOM 0 HG2 ARG A 17 3.710 9.314 8.359 1.00 0.47 H new ATOM 0 HG3 ARG A 17 5.187 9.738 7.517 1.00 0.47 H new ATOM 0 HD2 ARG A 17 4.682 11.490 9.110 1.00 0.53 H new ATOM 0 HD3 ARG A 17 4.472 12.131 7.493 1.00 0.53 H new ATOM 0 HE ARG A 17 1.936 11.190 8.263 1.00 0.54 H new ATOM 0 HH11 ARG A 17 4.286 13.526 9.531 1.00 0.85 H new ATOM 0 HH12 ARG A 17 3.037 14.602 10.164 1.00 0.85 H new ATOM 0 HH21 ARG A 17 0.353 12.602 9.030 1.00 0.86 H new ATOM 0 HH22 ARG A 17 0.816 14.080 9.880 1.00 0.86 H new ATOM 294 N ILE A 18 4.056 6.728 7.100 1.00 0.21 N ATOM 295 CA ILE A 18 3.719 5.598 7.948 1.00 0.20 C ATOM 296 C ILE A 18 4.242 5.837 9.365 1.00 0.20 C ATOM 297 O ILE A 18 5.389 6.264 9.549 1.00 0.26 O ATOM 298 CB ILE A 18 4.297 4.273 7.386 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.862 3.083 8.247 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.818 4.333 7.291 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.421 2.672 8.031 1.00 0.33 C ATOM 0 H ILE A 18 5.053 6.941 7.072 1.00 0.21 H new ATOM 0 HA ILE A 18 2.633 5.506 7.970 1.00 0.20 H new ATOM 0 HB ILE A 18 3.900 4.137 6.380 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.510 2.233 8.031 1.00 0.29 H new ATOM 0 HG13 ILE A 18 4.006 3.334 9.298 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.195 3.391 6.894 1.00 0.33 H new ATOM 0 HG22 ILE A 18 6.109 5.148 6.629 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.238 4.503 8.282 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.184 1.824 8.674 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.764 3.507 8.275 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.276 2.389 6.988 1.00 0.33 H new ATOM 313 N LEU A 19 3.396 5.585 10.353 1.00 0.21 N ATOM 314 CA LEU A 19 3.760 5.771 11.750 1.00 0.24 C ATOM 315 C LEU A 19 4.262 4.459 12.345 1.00 0.23 C ATOM 316 O LEU A 19 3.584 3.429 12.243 1.00 0.22 O ATOM 317 CB LEU A 19 2.565 6.293 12.556 1.00 0.30 C ATOM 318 CG LEU A 19 2.059 7.688 12.161 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.219 8.658 12.000 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.237 7.627 10.881 1.00 0.48 C ATOM 0 H LEU A 19 2.444 5.248 10.211 1.00 0.21 H new ATOM 0 HA LEU A 19 4.560 6.510 11.800 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.743 5.585 12.453 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.840 6.311 13.611 1.00 0.30 H new ATOM 0 HG LEU A 19 1.416 8.050 12.963 1.00 0.40 H new ATOM 0 HD11 LEU A 19 2.836 9.639 11.720 1.00 0.54 H new ATOM 0 HD12 LEU A 19 3.762 8.735 12.942 1.00 0.54 H new ATOM 0 HD13 LEU A 19 3.891 8.295 11.222 1.00 0.54 H new ATOM 0 HD21 LEU A 19 0.891 8.628 10.623 1.00 0.48 H new ATOM 0 HD22 LEU A 19 1.853 7.236 10.071 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.378 6.973 11.031 1.00 0.48 H new ATOM 332 N PRO A 20 5.452 4.479 12.977 1.00 0.29 N ATOM 333 CA PRO A 20 6.067 3.293 13.586 1.00 0.33 C ATOM 334 C PRO A 20 5.087 2.481 14.433 1.00 0.30 C ATOM 335 O PRO A 20 5.231 1.265 14.566 1.00 0.36 O ATOM 336 CB PRO A 20 7.194 3.860 14.464 1.00 0.41 C ATOM 337 CG PRO A 20 7.035 5.347 14.431 1.00 0.55 C ATOM 338 CD PRO A 20 6.296 5.665 13.165 1.00 0.38 C ATOM 0 HA PRO A 20 6.418 2.599 12.822 1.00 0.33 H new ATOM 0 HB2 PRO A 20 7.121 3.483 15.484 1.00 0.41 H new ATOM 0 HB3 PRO A 20 8.171 3.564 14.083 1.00 0.41 H new ATOM 0 HG2 PRO A 20 6.482 5.698 15.302 1.00 0.55 H new ATOM 0 HG3 PRO A 20 8.006 5.842 14.449 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.702 6.574 13.260 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.976 5.815 12.326 1.00 0.38 H new ATOM 346 N ASP A 21 4.101 3.158 15.019 1.00 0.27 N ATOM 347 CA ASP A 21 3.092 2.489 15.840 1.00 0.30 C ATOM 348 C ASP A 21 2.327 1.448 15.023 1.00 0.29 C ATOM 349 O ASP A 21 1.793 0.484 15.577 1.00 0.41 O ATOM 350 CB ASP A 21 2.096 3.500 16.425 1.00 0.36 C ATOM 351 CG ASP A 21 2.549 4.083 17.749 1.00 0.64 C ATOM 352 OD1 ASP A 21 2.641 3.327 18.739 1.00 0.96 O ATOM 353 OD2 ASP A 21 2.801 5.305 17.808 1.00 0.95 O ATOM 0 H ASP A 21 3.979 4.168 14.941 1.00 0.27 H new ATOM 0 HA ASP A 21 3.617 1.992 16.656 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.947 4.309 15.710 1.00 0.36 H new ATOM 0 HB3 ASP A 21 1.130 3.013 16.561 1.00 0.36 H new ATOM 358 N GLY A 22 2.284 1.650 13.706 1.00 0.24 N ATOM 359 CA GLY A 22 1.577 0.737 12.831 1.00 0.27 C ATOM 360 C GLY A 22 0.365 1.389 12.198 1.00 0.27 C ATOM 361 O GLY A 22 -0.745 0.861 12.277 1.00 0.35 O ATOM 0 H GLY A 22 2.730 2.435 13.231 1.00 0.24 H new ATOM 0 HA2 GLY A 22 2.251 0.387 12.049 1.00 0.27 H new ATOM 0 HA3 GLY A 22 1.264 -0.140 13.397 1.00 0.27 H new ATOM 365 N THR A 23 0.571 2.542 11.577 1.00 0.24 N ATOM 366 CA THR A 23 -0.512 3.268 10.927 1.00 0.27 C ATOM 367 C THR A 23 0.026 4.147 9.801 1.00 0.22 C ATOM 368 O THR A 23 1.112 4.713 9.919 1.00 0.25 O ATOM 369 CB THR A 23 -1.286 4.149 11.937 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.738 3.360 13.054 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.484 4.815 11.271 1.00 0.43 C ATOM 0 H THR A 23 1.482 2.996 11.509 1.00 0.24 H new ATOM 0 HA THR A 23 -1.195 2.526 10.513 1.00 0.27 H new ATOM 0 HB THR A 23 -0.605 4.921 12.294 1.00 0.34 H new ATOM 0 HG1 THR A 23 -2.224 3.933 13.684 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.012 5.429 12.001 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.141 5.443 10.449 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.158 4.050 10.885 1.00 0.43 H new ATOM 379 N VAL A 24 -0.723 4.235 8.707 1.00 0.25 N ATOM 380 CA VAL A 24 -0.333 5.056 7.563 1.00 0.24 C ATOM 381 C VAL A 24 -1.298 6.233 7.413 1.00 0.28 C ATOM 382 O VAL A 24 -2.512 6.063 7.559 1.00 0.37 O ATOM 383 CB VAL A 24 -0.306 4.229 6.254 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.673 3.628 5.957 1.00 0.37 C ATOM 385 CG2 VAL A 24 0.168 5.077 5.084 1.00 0.32 C ATOM 0 H VAL A 24 -1.609 3.745 8.587 1.00 0.25 H new ATOM 0 HA VAL A 24 0.674 5.429 7.747 1.00 0.24 H new ATOM 0 HB VAL A 24 0.402 3.412 6.394 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.624 3.053 5.032 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -1.968 2.973 6.777 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.406 4.427 5.849 1.00 0.37 H new ATOM 0 HG21 VAL A 24 0.178 4.473 4.177 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.507 5.922 4.950 1.00 0.32 H new ATOM 0 HG23 VAL A 24 1.174 5.445 5.286 1.00 0.32 H new ATOM 395 N ASP A 25 -0.764 7.419 7.123 1.00 0.28 N ATOM 396 CA ASP A 25 -1.598 8.611 6.978 1.00 0.35 C ATOM 397 C ASP A 25 -1.194 9.440 5.755 1.00 0.27 C ATOM 398 O ASP A 25 -0.287 9.066 5.002 1.00 0.26 O ATOM 399 CB ASP A 25 -1.553 9.452 8.265 1.00 0.50 C ATOM 400 CG ASP A 25 -0.377 10.406 8.332 1.00 0.53 C ATOM 401 OD1 ASP A 25 0.775 9.942 8.464 1.00 1.28 O ATOM 402 OD2 ASP A 25 -0.603 11.632 8.284 1.00 1.19 O ATOM 0 H ASP A 25 0.234 7.579 6.985 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.626 8.286 6.814 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -2.478 10.024 8.347 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -1.515 8.782 9.124 1.00 0.50 H new ATOM 407 N GLY A 26 -1.879 10.567 5.563 1.00 0.27 N ATOM 408 CA GLY A 26 -1.622 11.423 4.421 1.00 0.26 C ATOM 409 C GLY A 26 -0.531 12.447 4.668 1.00 0.32 C ATOM 410 O GLY A 26 -0.529 13.133 5.690 1.00 0.72 O ATOM 0 H GLY A 26 -2.614 10.902 6.186 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.343 10.804 3.568 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.542 11.941 4.151 1.00 0.26 H new ATOM 414 N THR A 27 0.382 12.564 3.719 1.00 0.25 N ATOM 415 CA THR A 27 1.494 13.500 3.815 1.00 0.23 C ATOM 416 C THR A 27 2.048 13.779 2.415 1.00 0.23 C ATOM 417 O THR A 27 1.735 13.051 1.471 1.00 0.26 O ATOM 418 CB THR A 27 2.621 12.948 4.726 1.00 0.30 C ATOM 419 OG1 THR A 27 2.064 12.330 5.897 1.00 0.60 O ATOM 420 CG2 THR A 27 3.580 14.054 5.151 1.00 0.65 C ATOM 0 H THR A 27 0.375 12.014 2.860 1.00 0.25 H new ATOM 0 HA THR A 27 1.126 14.424 4.260 1.00 0.23 H new ATOM 0 HB THR A 27 3.174 12.206 4.149 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.682 13.019 6.480 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.359 13.635 5.789 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.036 14.500 4.267 1.00 0.65 H new ATOM 0 HG23 THR A 27 3.032 14.819 5.702 1.00 0.65 H new ATOM 428 N ARG A 28 2.839 14.840 2.271 1.00 0.26 N ATOM 429 CA ARG A 28 3.420 15.189 0.977 1.00 0.29 C ATOM 430 C ARG A 28 4.939 15.302 1.076 1.00 0.29 C ATOM 431 O ARG A 28 5.465 15.821 2.062 1.00 0.39 O ATOM 432 CB ARG A 28 2.829 16.505 0.461 1.00 0.36 C ATOM 433 CG ARG A 28 3.390 17.743 1.146 1.00 0.44 C ATOM 434 CD ARG A 28 2.571 18.982 0.817 1.00 0.57 C ATOM 435 NE ARG A 28 1.251 18.946 1.452 1.00 0.66 N ATOM 436 CZ ARG A 28 1.032 19.219 2.743 1.00 0.85 C ATOM 437 NH1 ARG A 28 2.040 19.569 3.535 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.201 19.151 3.235 1.00 1.12 N ATOM 0 H ARG A 28 3.092 15.471 3.032 1.00 0.26 H new ATOM 0 HA ARG A 28 3.177 14.393 0.273 1.00 0.29 H new ATOM 0 HB2 ARG A 28 3.014 16.579 -0.611 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.748 16.485 0.597 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.402 17.589 2.225 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.423 17.895 0.835 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.109 19.871 1.146 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.453 19.063 -0.264 1.00 0.57 H new ATOM 0 HE ARG A 28 0.449 18.697 0.873 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.986 19.631 3.159 1.00 1.04 H new ATOM 0 HH12 ARG A 28 1.867 19.776 4.519 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -0.979 18.891 2.628 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -0.370 19.359 4.219 1.00 1.12 H new ATOM 452 N ASP A 29 5.631 14.812 0.054 1.00 0.27 N ATOM 453 CA ASP A 29 7.089 14.859 0.011 1.00 0.29 C ATOM 454 C ASP A 29 7.564 14.727 -1.432 1.00 0.30 C ATOM 455 O ASP A 29 6.766 14.420 -2.323 1.00 0.37 O ATOM 456 CB ASP A 29 7.702 13.741 0.865 1.00 0.31 C ATOM 457 CG ASP A 29 8.994 14.166 1.535 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.908 14.646 0.832 1.00 0.47 O ATOM 459 OD2 ASP A 29 9.097 14.033 2.774 1.00 0.53 O ATOM 0 H ASP A 29 5.203 14.374 -0.762 1.00 0.27 H new ATOM 0 HA ASP A 29 7.414 15.816 0.418 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.985 13.435 1.627 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.891 12.870 0.237 1.00 0.31 H new ATOM 464 N ARG A 30 8.854 14.940 -1.663 1.00 0.35 N ATOM 465 CA ARG A 30 9.411 14.855 -3.011 1.00 0.39 C ATOM 466 C ARG A 30 9.545 13.395 -3.445 1.00 0.37 C ATOM 467 O ARG A 30 10.650 12.860 -3.548 1.00 0.41 O ATOM 468 CB ARG A 30 10.769 15.568 -3.082 1.00 0.48 C ATOM 469 CG ARG A 30 11.423 15.536 -4.460 1.00 0.53 C ATOM 470 CD ARG A 30 10.551 16.194 -5.523 1.00 0.62 C ATOM 471 NE ARG A 30 11.230 16.263 -6.819 1.00 0.72 N ATOM 472 CZ ARG A 30 10.621 16.527 -7.982 1.00 0.86 C ATOM 473 NH1 ARG A 30 9.308 16.732 -8.025 1.00 1.07 N ATOM 474 NH2 ARG A 30 11.328 16.583 -9.104 1.00 1.02 N ATOM 0 H ARG A 30 9.533 15.172 -0.938 1.00 0.35 H new ATOM 0 HA ARG A 30 8.727 15.355 -3.697 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.637 16.607 -2.779 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.445 15.109 -2.361 1.00 0.48 H new ATOM 0 HG2 ARG A 30 12.386 16.045 -4.416 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.621 14.502 -4.743 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.622 15.633 -5.629 1.00 0.62 H new ATOM 0 HD3 ARG A 30 10.281 17.200 -5.200 1.00 0.62 H new ATOM 0 HE ARG A 30 12.236 16.099 -6.837 1.00 0.72 H new ATOM 0 HH11 ARG A 30 8.757 16.689 -7.168 1.00 1.07 H new ATOM 0 HH12 ARG A 30 8.852 16.933 -8.915 1.00 1.07 H new ATOM 0 HH21 ARG A 30 12.335 16.425 -9.080 1.00 1.02 H new ATOM 0 HH22 ARG A 30 10.864 16.784 -9.990 1.00 1.02 H new ATOM 488 N SER A 31 8.408 12.756 -3.688 1.00 0.44 N ATOM 489 CA SER A 31 8.384 11.362 -4.114 1.00 0.51 C ATOM 490 C SER A 31 9.080 10.475 -3.081 1.00 0.51 C ATOM 491 O SER A 31 9.895 9.615 -3.422 1.00 0.86 O ATOM 492 CB SER A 31 9.047 11.219 -5.491 1.00 0.65 C ATOM 493 OG SER A 31 8.566 12.202 -6.395 1.00 0.74 O ATOM 0 H SER A 31 7.486 13.183 -3.597 1.00 0.44 H new ATOM 0 HA SER A 31 7.347 11.037 -4.195 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.128 11.313 -5.389 1.00 0.65 H new ATOM 0 HB3 SER A 31 8.850 10.225 -5.891 1.00 0.65 H new ATOM 0 HG SER A 31 9.005 12.090 -7.264 1.00 0.74 H new ATOM 499 N ASP A 32 8.750 10.702 -1.814 1.00 0.47 N ATOM 500 CA ASP A 32 9.328 9.935 -0.720 1.00 0.47 C ATOM 501 C ASP A 32 8.233 9.434 0.213 1.00 0.49 C ATOM 502 O ASP A 32 7.047 9.649 -0.037 1.00 1.05 O ATOM 503 CB ASP A 32 10.347 10.773 0.065 1.00 0.57 C ATOM 504 CG ASP A 32 11.731 10.744 -0.554 1.00 0.73 C ATOM 505 OD1 ASP A 32 12.432 9.717 -0.413 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.132 11.753 -1.172 1.00 0.83 O ATOM 0 H ASP A 32 8.082 11.415 -1.520 1.00 0.47 H new ATOM 0 HA ASP A 32 9.849 9.079 -1.149 1.00 0.47 H new ATOM 0 HB2 ASP A 32 9.999 11.805 0.118 1.00 0.57 H new ATOM 0 HB3 ASP A 32 10.404 10.403 1.089 1.00 0.57 H new ATOM 511 N GLN A 33 8.640 8.767 1.284 1.00 0.35 N ATOM 512 CA GLN A 33 7.709 8.221 2.263 1.00 0.34 C ATOM 513 C GLN A 33 8.142 8.650 3.667 1.00 0.35 C ATOM 514 O GLN A 33 8.870 9.634 3.804 1.00 0.54 O ATOM 515 CB GLN A 33 7.692 6.694 2.137 1.00 0.45 C ATOM 516 CG GLN A 33 6.402 6.038 2.607 1.00 0.53 C ATOM 517 CD GLN A 33 6.660 4.851 3.517 1.00 0.71 C ATOM 518 OE1 GLN A 33 7.624 4.847 4.289 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.809 3.841 3.433 1.00 0.82 N ATOM 0 H GLN A 33 9.621 8.589 1.499 1.00 0.35 H new ATOM 0 HA GLN A 33 6.702 8.598 2.083 1.00 0.34 H new ATOM 0 HB2 GLN A 33 7.863 6.426 1.094 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.523 6.285 2.711 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.794 6.773 3.135 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.826 5.711 1.741 1.00 0.53 H new ATOM 0 HE21 GLN A 33 5.026 3.887 2.781 1.00 0.82 H new ATOM 0 HE22 GLN A 33 5.936 3.017 4.020 1.00 0.82 H new ATOM 528 N HIS A 34 7.696 7.934 4.711 1.00 0.34 N ATOM 529 CA HIS A 34 8.095 8.252 6.089 1.00 0.39 C ATOM 530 C HIS A 34 9.580 8.603 6.117 1.00 0.37 C ATOM 531 O HIS A 34 10.008 9.511 6.825 1.00 0.50 O ATOM 532 CB HIS A 34 7.820 7.055 7.012 1.00 0.48 C ATOM 533 CG HIS A 34 8.349 7.220 8.408 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.447 6.532 8.887 1.00 0.86 N ATOM 535 CD2 HIS A 34 7.921 7.997 9.432 1.00 0.83 C ATOM 536 CE1 HIS A 34 9.669 6.881 10.143 1.00 0.99 C ATOM 537 NE2 HIS A 34 8.757 7.766 10.495 1.00 0.95 N ATOM 0 H HIS A 34 7.064 7.138 4.628 1.00 0.34 H new ATOM 0 HA HIS A 34 7.514 9.103 6.443 1.00 0.39 H new ATOM 0 HB2 HIS A 34 6.744 6.888 7.061 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.262 6.161 6.571 1.00 0.48 H new ATOM 0 HD1 HIS A 34 10.000 5.860 8.355 1.00 0.86 H new ATOM 0 HD2 HIS A 34 7.079 8.673 9.415 1.00 0.83 H new ATOM 0 HE1 HIS A 34 10.462 6.505 10.773 1.00 0.99 H new ATOM 546 N ILE A 35 10.344 7.854 5.332 1.00 0.31 N ATOM 547 CA ILE A 35 11.779 8.057 5.188 1.00 0.34 C ATOM 548 C ILE A 35 12.212 7.638 3.781 1.00 0.33 C ATOM 549 O ILE A 35 12.984 8.339 3.127 1.00 0.40 O ATOM 550 CB ILE A 35 12.588 7.271 6.246 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.335 7.852 7.640 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.077 7.299 5.919 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.006 7.082 8.756 1.00 0.51 C ATOM 0 H ILE A 35 9.981 7.082 4.773 1.00 0.31 H new ATOM 0 HA ILE A 35 11.985 9.116 5.345 1.00 0.34 H new ATOM 0 HB ILE A 35 12.258 6.232 6.233 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.686 8.884 7.662 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.261 7.876 7.823 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.626 6.740 6.676 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.243 6.846 4.942 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.427 8.331 5.905 1.00 0.52 H new ATOM 0 HD11 ILE A 35 12.780 7.555 9.712 1.00 0.51 H new ATOM 0 HD12 ILE A 35 12.638 6.056 8.763 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.085 7.079 8.599 1.00 0.51 H new ATOM 565 N GLN A 36 11.696 6.494 3.322 1.00 0.29 N ATOM 566 CA GLN A 36 12.000 5.976 1.990 1.00 0.30 C ATOM 567 C GLN A 36 11.232 4.675 1.747 1.00 0.30 C ATOM 568 O GLN A 36 11.449 3.690 2.448 1.00 0.64 O ATOM 569 CB GLN A 36 13.505 5.739 1.849 1.00 0.37 C ATOM 570 CG GLN A 36 13.922 5.172 0.501 1.00 0.40 C ATOM 571 CD GLN A 36 15.421 4.978 0.410 1.00 0.47 C ATOM 572 OE1 GLN A 36 15.898 3.857 0.925 1.00 0.76 O flip ATOM 573 NE2 GLN A 36 16.142 5.832 -0.100 1.00 0.61 N flip ATOM 0 H GLN A 36 11.060 5.906 3.861 1.00 0.29 H new ATOM 0 HA GLN A 36 11.691 6.710 1.245 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.027 6.682 2.011 1.00 0.37 H new ATOM 0 HB3 GLN A 36 13.829 5.056 2.634 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.422 4.217 0.338 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.594 5.843 -0.293 1.00 0.40 H new ATOM 0 HE21 GLN A 36 15.731 6.682 -0.485 1.00 0.61 H new ATOM 0 HE22 GLN A 36 17.151 5.691 -0.138 1.00 0.61 H new ATOM 582 N LEU A 37 10.325 4.675 0.775 1.00 0.27 N ATOM 583 CA LEU A 37 9.541 3.479 0.470 1.00 0.25 C ATOM 584 C LEU A 37 10.209 2.687 -0.648 1.00 0.22 C ATOM 585 O LEU A 37 10.641 3.262 -1.649 1.00 0.26 O ATOM 586 CB LEU A 37 8.111 3.854 0.062 1.00 0.33 C ATOM 587 CG LEU A 37 7.037 2.807 0.375 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.651 3.389 0.142 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.231 1.558 -0.472 1.00 0.53 C ATOM 0 H LEU A 37 10.114 5.482 0.188 1.00 0.27 H new ATOM 0 HA LEU A 37 9.493 2.863 1.368 1.00 0.25 H new ATOM 0 HB2 LEU A 37 7.842 4.785 0.562 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.098 4.052 -1.010 1.00 0.33 H new ATOM 0 HG LEU A 37 7.132 2.526 1.424 1.00 0.42 H new ATOM 0 HD11 LEU A 37 4.897 2.635 0.368 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.506 4.253 0.790 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.556 3.696 -0.899 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.456 0.831 -0.231 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.166 1.821 -1.528 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.210 1.127 -0.265 1.00 0.53 H new ATOM 601 N GLN A 38 10.306 1.375 -0.467 1.00 0.23 N ATOM 602 CA GLN A 38 10.914 0.499 -1.457 1.00 0.27 C ATOM 603 C GLN A 38 9.983 -0.667 -1.778 1.00 0.24 C ATOM 604 O GLN A 38 9.428 -1.293 -0.872 1.00 0.32 O ATOM 605 CB GLN A 38 12.256 -0.025 -0.945 1.00 0.38 C ATOM 606 CG GLN A 38 13.289 1.071 -0.723 1.00 0.51 C ATOM 607 CD GLN A 38 14.384 0.670 0.245 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.158 -0.105 1.178 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.581 1.197 0.032 1.00 0.75 N ATOM 0 H GLN A 38 9.967 0.892 0.365 1.00 0.23 H new ATOM 0 HA GLN A 38 11.084 1.071 -2.369 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.096 -0.558 -0.008 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.652 -0.747 -1.659 1.00 0.38 H new ATOM 0 HG2 GLN A 38 13.738 1.338 -1.680 1.00 0.51 H new ATOM 0 HG3 GLN A 38 12.788 1.963 -0.346 1.00 0.51 H new ATOM 0 HE21 GLN A 38 15.726 1.834 -0.751 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.358 0.966 0.651 1.00 0.75 H new ATOM 618 N LEU A 39 9.810 -0.944 -3.062 1.00 0.24 N ATOM 619 CA LEU A 39 8.946 -2.030 -3.510 1.00 0.24 C ATOM 620 C LEU A 39 9.619 -2.793 -4.645 1.00 0.26 C ATOM 621 O LEU A 39 9.761 -2.268 -5.750 1.00 0.34 O ATOM 622 CB LEU A 39 7.591 -1.471 -3.964 1.00 0.26 C ATOM 623 CG LEU A 39 6.531 -2.516 -4.322 1.00 0.34 C ATOM 624 CD1 LEU A 39 5.150 -1.877 -4.377 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.862 -3.179 -5.650 1.00 0.41 C ATOM 0 H LEU A 39 10.260 -0.428 -3.818 1.00 0.24 H new ATOM 0 HA LEU A 39 8.775 -2.717 -2.681 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.196 -0.836 -3.171 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.754 -0.833 -4.832 1.00 0.26 H new ATOM 0 HG LEU A 39 6.527 -3.281 -3.546 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.409 -2.634 -4.633 1.00 0.38 H new ATOM 0 HD12 LEU A 39 4.909 -1.447 -3.405 1.00 0.38 H new ATOM 0 HD13 LEU A 39 5.142 -1.092 -5.133 1.00 0.38 H new ATOM 0 HD21 LEU A 39 6.098 -3.919 -5.888 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.893 -2.424 -6.436 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.833 -3.670 -5.580 1.00 0.41 H new ATOM 637 N SER A 40 10.041 -4.024 -4.363 1.00 0.25 N ATOM 638 CA SER A 40 10.712 -4.868 -5.353 1.00 0.28 C ATOM 639 C SER A 40 11.197 -6.168 -4.697 1.00 0.29 C ATOM 640 O SER A 40 10.720 -6.532 -3.620 1.00 0.38 O ATOM 641 CB SER A 40 11.891 -4.106 -5.983 1.00 0.36 C ATOM 642 OG SER A 40 11.475 -3.344 -7.104 1.00 0.55 O ATOM 0 H SER A 40 9.929 -4.463 -3.449 1.00 0.25 H new ATOM 0 HA SER A 40 10.004 -5.123 -6.141 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.339 -3.447 -5.239 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.662 -4.814 -6.288 1.00 0.36 H new ATOM 0 HG SER A 40 10.729 -2.763 -6.846 1.00 0.55 H new ATOM 648 N ALA A 41 12.123 -6.868 -5.357 1.00 0.33 N ATOM 649 CA ALA A 41 12.688 -8.114 -4.838 1.00 0.37 C ATOM 650 C ALA A 41 11.669 -9.256 -4.873 1.00 0.36 C ATOM 651 O ALA A 41 11.642 -10.102 -3.977 1.00 0.76 O ATOM 652 CB ALA A 41 13.230 -7.910 -3.425 1.00 0.46 C ATOM 0 H ALA A 41 12.500 -6.588 -6.262 1.00 0.33 H new ATOM 0 HA ALA A 41 13.515 -8.398 -5.488 1.00 0.37 H new ATOM 0 HB1 ALA A 41 13.646 -8.847 -3.056 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.010 -7.148 -3.441 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.422 -7.588 -2.768 1.00 0.46 H new ATOM 658 N GLU A 42 10.844 -9.283 -5.915 1.00 0.35 N ATOM 659 CA GLU A 42 9.831 -10.321 -6.073 1.00 0.30 C ATOM 660 C GLU A 42 9.575 -10.580 -7.557 1.00 0.33 C ATOM 661 O GLU A 42 9.939 -9.760 -8.411 1.00 0.51 O ATOM 662 CB GLU A 42 8.530 -9.920 -5.370 1.00 0.32 C ATOM 663 CG GLU A 42 8.588 -10.000 -3.849 1.00 0.54 C ATOM 664 CD GLU A 42 8.834 -11.409 -3.328 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.633 -12.382 -4.086 1.00 1.01 O ATOM 666 OE2 GLU A 42 9.228 -11.550 -2.151 1.00 1.05 O ATOM 0 H GLU A 42 10.858 -8.594 -6.667 1.00 0.35 H new ATOM 0 HA GLU A 42 10.199 -11.238 -5.612 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.274 -8.901 -5.659 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.725 -10.564 -5.726 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.379 -9.343 -3.488 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.651 -9.626 -3.437 1.00 0.54 H new ATOM 673 N SER A 43 8.954 -11.717 -7.862 1.00 0.31 N ATOM 674 CA SER A 43 8.664 -12.094 -9.246 1.00 0.38 C ATOM 675 C SER A 43 7.595 -11.183 -9.852 1.00 0.34 C ATOM 676 O SER A 43 7.124 -10.247 -9.205 1.00 0.61 O ATOM 677 CB SER A 43 8.215 -13.561 -9.315 1.00 0.52 C ATOM 678 OG SER A 43 6.898 -13.728 -8.811 1.00 1.04 O ATOM 0 H SER A 43 8.641 -12.396 -7.168 1.00 0.31 H new ATOM 0 HA SER A 43 9.578 -11.976 -9.828 1.00 0.38 H new ATOM 0 HB2 SER A 43 8.257 -13.907 -10.348 1.00 0.52 H new ATOM 0 HB3 SER A 43 8.906 -14.181 -8.743 1.00 0.52 H new ATOM 0 HG SER A 43 6.913 -14.355 -8.058 1.00 1.04 H new ATOM 684 N VAL A 44 7.219 -11.450 -11.101 1.00 0.39 N ATOM 685 CA VAL A 44 6.197 -10.658 -11.773 1.00 0.39 C ATOM 686 C VAL A 44 4.898 -10.686 -10.966 1.00 0.36 C ATOM 687 O VAL A 44 4.374 -11.757 -10.647 1.00 0.59 O ATOM 688 CB VAL A 44 5.936 -11.157 -13.214 1.00 0.52 C ATOM 689 CG1 VAL A 44 5.379 -12.576 -13.216 1.00 0.60 C ATOM 690 CG2 VAL A 44 4.998 -10.210 -13.947 1.00 0.58 C ATOM 0 H VAL A 44 7.607 -12.207 -11.665 1.00 0.39 H new ATOM 0 HA VAL A 44 6.564 -9.634 -11.839 1.00 0.39 H new ATOM 0 HB VAL A 44 6.891 -11.174 -13.740 1.00 0.52 H new ATOM 0 HG11 VAL A 44 5.206 -12.898 -14.243 1.00 0.60 H new ATOM 0 HG12 VAL A 44 6.093 -13.248 -12.741 1.00 0.60 H new ATOM 0 HG13 VAL A 44 4.438 -12.598 -12.666 1.00 0.60 H new ATOM 0 HG21 VAL A 44 4.827 -10.578 -14.959 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.048 -10.155 -13.415 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.446 -9.217 -13.993 1.00 0.58 H new ATOM 700 N GLY A 45 4.398 -9.511 -10.614 1.00 0.32 N ATOM 701 CA GLY A 45 3.175 -9.418 -9.839 1.00 0.33 C ATOM 702 C GLY A 45 3.462 -9.363 -8.352 1.00 0.28 C ATOM 703 O GLY A 45 3.010 -8.447 -7.659 1.00 0.33 O ATOM 0 H GLY A 45 4.820 -8.613 -10.853 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.621 -8.528 -10.137 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.539 -10.276 -10.056 1.00 0.33 H new ATOM 707 N GLU A 46 4.213 -10.347 -7.861 1.00 0.27 N ATOM 708 CA GLU A 46 4.579 -10.403 -6.449 1.00 0.28 C ATOM 709 C GLU A 46 5.506 -9.242 -6.122 1.00 0.24 C ATOM 710 O GLU A 46 6.432 -8.953 -6.883 1.00 0.31 O ATOM 711 CB GLU A 46 5.278 -11.729 -6.115 1.00 0.39 C ATOM 712 CG GLU A 46 4.452 -12.963 -6.439 1.00 0.51 C ATOM 713 CD GLU A 46 5.103 -14.242 -5.948 1.00 0.64 C ATOM 714 OE1 GLU A 46 4.867 -14.622 -4.786 1.00 0.82 O ATOM 715 OE2 GLU A 46 5.848 -14.879 -6.723 1.00 0.86 O ATOM 0 H GLU A 46 4.580 -11.116 -8.421 1.00 0.27 H new ATOM 0 HA GLU A 46 3.670 -10.334 -5.852 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.219 -11.780 -6.663 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.527 -11.739 -5.054 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.465 -12.865 -5.987 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.304 -13.025 -7.517 1.00 0.51 H new ATOM 722 N VAL A 47 5.254 -8.561 -5.015 1.00 0.22 N ATOM 723 CA VAL A 47 6.097 -7.442 -4.628 1.00 0.25 C ATOM 724 C VAL A 47 6.220 -7.302 -3.113 1.00 0.23 C ATOM 725 O VAL A 47 5.249 -7.490 -2.372 1.00 0.29 O ATOM 726 CB VAL A 47 5.580 -6.112 -5.215 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.691 -6.118 -6.733 1.00 0.35 C ATOM 728 CG2 VAL A 47 4.145 -5.843 -4.781 1.00 0.35 C ATOM 0 H VAL A 47 4.484 -8.760 -4.377 1.00 0.22 H new ATOM 0 HA VAL A 47 7.084 -7.659 -5.037 1.00 0.25 H new ATOM 0 HB VAL A 47 6.204 -5.307 -4.827 1.00 0.32 H new ATOM 0 HG11 VAL A 47 5.322 -5.172 -7.129 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.734 -6.249 -7.021 1.00 0.35 H new ATOM 0 HG13 VAL A 47 5.097 -6.937 -7.138 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.806 -4.900 -5.209 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.502 -6.651 -5.129 1.00 0.35 H new ATOM 0 HG23 VAL A 47 4.098 -5.786 -3.694 1.00 0.35 H new ATOM 738 N TYR A 48 7.435 -6.995 -2.669 1.00 0.22 N ATOM 739 CA TYR A 48 7.721 -6.784 -1.258 1.00 0.22 C ATOM 740 C TYR A 48 7.726 -5.282 -0.981 1.00 0.22 C ATOM 741 O TYR A 48 8.468 -4.531 -1.622 1.00 0.29 O ATOM 742 CB TYR A 48 9.071 -7.411 -0.882 1.00 0.25 C ATOM 743 CG TYR A 48 9.580 -6.996 0.482 1.00 0.35 C ATOM 744 CD1 TYR A 48 9.015 -7.510 1.645 1.00 0.49 C ATOM 745 CD2 TYR A 48 10.623 -6.085 0.606 1.00 0.58 C ATOM 746 CE1 TYR A 48 9.474 -7.125 2.891 1.00 0.66 C ATOM 747 CE2 TYR A 48 11.088 -5.698 1.849 1.00 0.74 C ATOM 748 CZ TYR A 48 10.512 -6.220 2.988 1.00 0.72 C ATOM 749 OH TYR A 48 10.971 -5.828 4.231 1.00 0.92 O ATOM 0 H TYR A 48 8.246 -6.886 -3.278 1.00 0.22 H new ATOM 0 HA TYR A 48 6.954 -7.265 -0.651 1.00 0.22 H new ATOM 0 HB2 TYR A 48 8.977 -8.497 -0.909 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.810 -7.136 -1.634 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.205 -8.221 1.573 1.00 0.49 H new ATOM 0 HD2 TYR A 48 11.077 -5.673 -0.283 1.00 0.58 H new ATOM 0 HE1 TYR A 48 9.023 -7.530 3.784 1.00 0.66 H new ATOM 0 HE2 TYR A 48 11.899 -4.990 1.928 1.00 0.74 H new ATOM 0 HH TYR A 48 11.946 -5.917 4.263 1.00 0.92 H new ATOM 759 N ILE A 49 6.892 -4.848 -0.047 1.00 0.21 N ATOM 760 CA ILE A 49 6.783 -3.434 0.287 1.00 0.22 C ATOM 761 C ILE A 49 7.602 -3.083 1.526 1.00 0.23 C ATOM 762 O ILE A 49 7.281 -3.507 2.636 1.00 0.37 O ATOM 763 CB ILE A 49 5.311 -3.027 0.518 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.461 -3.392 -0.703 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.209 -1.537 0.812 1.00 0.30 C ATOM 766 CD1 ILE A 49 2.977 -3.169 -0.499 1.00 0.38 C ATOM 0 H ILE A 49 6.279 -5.457 0.495 1.00 0.21 H new ATOM 0 HA ILE A 49 7.180 -2.880 -0.564 1.00 0.22 H new ATOM 0 HB ILE A 49 4.932 -3.574 1.381 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.794 -2.802 -1.557 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.631 -4.439 -0.954 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.165 -1.268 0.972 1.00 0.30 H new ATOM 0 HG22 ILE A 49 5.785 -1.302 1.707 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.604 -0.972 -0.032 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.439 -3.449 -1.405 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.628 -3.780 0.334 1.00 0.38 H new ATOM 0 HD13 ILE A 49 2.794 -2.117 -0.279 1.00 0.38 H new ATOM 778 N LYS A 50 8.657 -2.299 1.328 1.00 0.21 N ATOM 779 CA LYS A 50 9.519 -1.881 2.423 1.00 0.25 C ATOM 780 C LYS A 50 9.405 -0.377 2.654 1.00 0.21 C ATOM 781 O LYS A 50 9.475 0.415 1.712 1.00 0.26 O ATOM 782 CB LYS A 50 10.978 -2.258 2.140 1.00 0.34 C ATOM 783 CG LYS A 50 11.954 -1.803 3.221 1.00 0.49 C ATOM 784 CD LYS A 50 12.906 -2.919 3.631 1.00 0.73 C ATOM 785 CE LYS A 50 13.843 -3.310 2.499 1.00 1.35 C ATOM 786 NZ LYS A 50 14.852 -2.254 2.211 1.00 1.74 N ATOM 0 H LYS A 50 8.935 -1.940 0.414 1.00 0.21 H new ATOM 0 HA LYS A 50 9.193 -2.400 3.324 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.049 -3.340 2.032 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.277 -1.822 1.187 1.00 0.34 H new ATOM 0 HG2 LYS A 50 12.528 -0.951 2.857 1.00 0.49 H new ATOM 0 HG3 LYS A 50 11.397 -1.462 4.093 1.00 0.49 H new ATOM 0 HD2 LYS A 50 13.492 -2.598 4.493 1.00 0.73 H new ATOM 0 HD3 LYS A 50 12.331 -3.790 3.943 1.00 0.73 H new ATOM 0 HE2 LYS A 50 14.354 -4.237 2.757 1.00 1.35 H new ATOM 0 HE3 LYS A 50 13.260 -3.507 1.599 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 15.510 -2.592 1.480 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 14.370 -1.396 1.873 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 15.382 -2.035 3.078 1.00 1.74 H new ATOM 800 N SER A 51 9.219 0.006 3.909 1.00 0.24 N ATOM 801 CA SER A 51 9.104 1.408 4.278 1.00 0.25 C ATOM 802 C SER A 51 10.270 1.805 5.178 1.00 0.25 C ATOM 803 O SER A 51 10.410 1.279 6.280 1.00 0.33 O ATOM 804 CB SER A 51 7.772 1.665 4.994 1.00 0.32 C ATOM 805 OG SER A 51 6.665 1.412 4.136 1.00 0.53 O ATOM 0 H SER A 51 9.144 -0.641 4.694 1.00 0.24 H new ATOM 0 HA SER A 51 9.132 2.013 3.372 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.703 1.029 5.877 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.737 2.698 5.341 1.00 0.32 H new ATOM 0 HG SER A 51 5.853 1.300 4.674 1.00 0.53 H new ATOM 811 N THR A 52 11.112 2.712 4.690 1.00 0.24 N ATOM 812 CA THR A 52 12.272 3.189 5.439 1.00 0.28 C ATOM 813 C THR A 52 13.426 2.191 5.331 1.00 0.28 C ATOM 814 O THR A 52 13.223 0.979 5.424 1.00 0.34 O ATOM 815 CB THR A 52 11.942 3.442 6.930 1.00 0.32 C ATOM 816 OG1 THR A 52 10.747 4.238 7.046 1.00 0.35 O ATOM 817 CG2 THR A 52 13.091 4.149 7.632 1.00 0.38 C ATOM 0 H THR A 52 11.011 3.136 3.768 1.00 0.24 H new ATOM 0 HA THR A 52 12.567 4.140 4.996 1.00 0.28 H new ATOM 0 HB THR A 52 11.784 2.475 7.407 1.00 0.32 H new ATOM 0 HG1 THR A 52 9.985 3.656 7.248 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.832 4.314 8.678 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.988 3.532 7.573 1.00 0.38 H new ATOM 0 HG23 THR A 52 13.278 5.108 7.149 1.00 0.38 H new ATOM 825 N GLU A 53 14.633 2.708 5.120 1.00 0.31 N ATOM 826 CA GLU A 53 15.816 1.861 4.994 1.00 0.35 C ATOM 827 C GLU A 53 15.967 0.987 6.237 1.00 0.31 C ATOM 828 O GLU A 53 16.304 -0.195 6.143 1.00 0.37 O ATOM 829 CB GLU A 53 17.070 2.720 4.805 1.00 0.43 C ATOM 830 CG GLU A 53 18.169 2.042 4.000 1.00 0.47 C ATOM 831 CD GLU A 53 18.001 2.215 2.501 1.00 0.57 C ATOM 832 OE1 GLU A 53 18.377 3.286 1.973 1.00 0.73 O ATOM 833 OE2 GLU A 53 17.506 1.282 1.839 1.00 0.74 O ATOM 0 H GLU A 53 14.818 3.707 5.033 1.00 0.31 H new ATOM 0 HA GLU A 53 15.695 1.221 4.120 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.790 3.649 4.308 1.00 0.43 H new ATOM 0 HB3 GLU A 53 17.465 2.989 5.785 1.00 0.43 H new ATOM 0 HG2 GLU A 53 19.135 2.448 4.301 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.182 0.978 4.238 1.00 0.47 H new ATOM 840 N THR A 54 15.730 1.580 7.403 1.00 0.28 N ATOM 841 CA THR A 54 15.826 0.864 8.664 1.00 0.31 C ATOM 842 C THR A 54 14.922 1.508 9.720 1.00 0.33 C ATOM 843 O THR A 54 14.806 2.736 9.777 1.00 0.52 O ATOM 844 CB THR A 54 17.284 0.837 9.180 1.00 0.40 C ATOM 845 OG1 THR A 54 18.208 0.831 8.073 1.00 0.63 O ATOM 846 CG2 THR A 54 17.525 -0.386 10.054 1.00 0.68 C ATOM 0 H THR A 54 15.469 2.561 7.497 1.00 0.28 H new ATOM 0 HA THR A 54 15.498 -0.160 8.487 1.00 0.31 H new ATOM 0 HB THR A 54 17.447 1.734 9.778 1.00 0.40 H new ATOM 0 HG1 THR A 54 19.127 0.815 8.414 1.00 0.63 H new ATOM 0 HG21 THR A 54 18.557 -0.384 10.406 1.00 0.68 H new ATOM 0 HG22 THR A 54 16.850 -0.361 10.909 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.341 -1.290 9.473 1.00 0.68 H new ATOM 854 N GLY A 55 14.276 0.681 10.538 1.00 0.39 N ATOM 855 CA GLY A 55 13.398 1.194 11.580 1.00 0.44 C ATOM 856 C GLY A 55 11.919 1.074 11.243 1.00 0.42 C ATOM 857 O GLY A 55 11.078 1.653 11.931 1.00 0.76 O ATOM 0 H GLY A 55 14.344 -0.336 10.499 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.596 0.656 12.507 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.637 2.242 11.762 1.00 0.44 H new ATOM 861 N GLN A 56 11.589 0.326 10.192 1.00 0.34 N ATOM 862 CA GLN A 56 10.199 0.153 9.788 1.00 0.30 C ATOM 863 C GLN A 56 10.005 -1.171 9.047 1.00 0.27 C ATOM 864 O GLN A 56 10.975 -1.871 8.749 1.00 0.38 O ATOM 865 CB GLN A 56 9.748 1.330 8.922 1.00 0.37 C ATOM 866 CG GLN A 56 8.949 2.379 9.680 1.00 0.49 C ATOM 867 CD GLN A 56 7.621 1.842 10.180 1.00 0.76 C ATOM 868 OE1 GLN A 56 6.622 1.895 9.469 1.00 1.02 O ATOM 869 NE2 GLN A 56 7.600 1.318 11.398 1.00 0.89 N ATOM 0 H GLN A 56 12.264 -0.168 9.608 1.00 0.34 H new ATOM 0 HA GLN A 56 9.582 0.127 10.686 1.00 0.30 H new ATOM 0 HB2 GLN A 56 10.626 1.803 8.482 1.00 0.37 H new ATOM 0 HB3 GLN A 56 9.143 0.952 8.098 1.00 0.37 H new ATOM 0 HG2 GLN A 56 9.535 2.737 10.526 1.00 0.49 H new ATOM 0 HG3 GLN A 56 8.770 3.236 9.030 1.00 0.49 H new ATOM 0 HE21 GLN A 56 8.453 1.293 11.957 1.00 0.89 H new ATOM 0 HE22 GLN A 56 6.731 0.940 11.776 1.00 0.89 H new ATOM 878 N TYR A 57 8.746 -1.499 8.762 1.00 0.24 N ATOM 879 CA TYR A 57 8.389 -2.744 8.081 1.00 0.23 C ATOM 880 C TYR A 57 6.885 -2.745 7.798 1.00 0.25 C ATOM 881 O TYR A 57 6.080 -2.680 8.726 1.00 0.42 O ATOM 882 CB TYR A 57 8.789 -3.932 8.972 1.00 0.26 C ATOM 883 CG TYR A 57 8.485 -5.311 8.420 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.184 -5.795 8.348 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.517 -6.146 8.009 1.00 0.53 C ATOM 886 CE1 TYR A 57 6.923 -7.069 7.874 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.263 -7.419 7.542 1.00 0.73 C ATOM 888 CZ TYR A 57 7.967 -7.877 7.476 1.00 0.79 C ATOM 889 OH TYR A 57 7.719 -9.157 7.023 1.00 1.03 O ATOM 0 H TYR A 57 7.946 -0.911 8.996 1.00 0.24 H new ATOM 0 HA TYR A 57 8.918 -2.830 7.132 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.859 -3.869 9.168 1.00 0.26 H new ATOM 0 HB3 TYR A 57 8.283 -3.827 9.932 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.365 -5.168 8.667 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.536 -5.792 8.056 1.00 0.53 H new ATOM 0 HE1 TYR A 57 5.906 -7.429 7.816 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.079 -8.054 7.229 1.00 0.73 H new ATOM 0 HH TYR A 57 8.517 -9.506 6.574 1.00 1.03 H new ATOM 899 N LEU A 58 6.509 -2.796 6.526 1.00 0.20 N ATOM 900 CA LEU A 58 5.097 -2.772 6.147 1.00 0.22 C ATOM 901 C LEU A 58 4.511 -4.180 6.160 1.00 0.23 C ATOM 902 O LEU A 58 4.973 -5.056 5.429 1.00 0.30 O ATOM 903 CB LEU A 58 4.932 -2.138 4.759 1.00 0.27 C ATOM 904 CG LEU A 58 3.516 -1.657 4.409 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.572 -2.833 4.194 1.00 0.39 C ATOM 906 CD2 LEU A 58 2.977 -0.737 5.498 1.00 0.38 C ATOM 0 H LEU A 58 7.157 -2.854 5.741 1.00 0.20 H new ATOM 0 HA LEU A 58 4.555 -2.169 6.876 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.612 -1.290 4.684 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.245 -2.864 4.009 1.00 0.27 H new ATOM 0 HG LEU A 58 3.576 -1.096 3.476 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.577 -2.461 3.948 1.00 0.39 H new ATOM 0 HD12 LEU A 58 2.941 -3.451 3.376 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.521 -3.430 5.105 1.00 0.39 H new ATOM 0 HD21 LEU A 58 1.973 -0.407 5.231 1.00 0.38 H new ATOM 0 HD22 LEU A 58 2.943 -1.275 6.445 1.00 0.38 H new ATOM 0 HD23 LEU A 58 3.630 0.130 5.597 1.00 0.38 H new ATOM 918 N ALA A 59 3.498 -4.390 6.991 1.00 0.23 N ATOM 919 CA ALA A 59 2.849 -5.689 7.089 1.00 0.27 C ATOM 920 C ALA A 59 1.334 -5.538 7.121 1.00 0.24 C ATOM 921 O ALA A 59 0.809 -4.482 7.499 1.00 0.26 O ATOM 922 CB ALA A 59 3.338 -6.433 8.322 1.00 0.35 C ATOM 0 H ALA A 59 3.109 -3.676 7.607 1.00 0.23 H new ATOM 0 HA ALA A 59 3.112 -6.270 6.205 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.844 -7.403 8.382 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.416 -6.579 8.255 1.00 0.35 H new ATOM 0 HB3 ALA A 59 3.105 -5.851 9.214 1.00 0.35 H new ATOM 928 N MET A 60 0.635 -6.590 6.712 1.00 0.28 N ATOM 929 CA MET A 60 -0.822 -6.583 6.693 1.00 0.30 C ATOM 930 C MET A 60 -1.391 -7.243 7.948 1.00 0.26 C ATOM 931 O MET A 60 -0.768 -8.132 8.537 1.00 0.44 O ATOM 932 CB MET A 60 -1.357 -7.301 5.446 1.00 0.40 C ATOM 933 CG MET A 60 -1.182 -8.815 5.474 1.00 0.73 C ATOM 934 SD MET A 60 -2.034 -9.644 4.113 1.00 0.93 S ATOM 935 CE MET A 60 -3.732 -9.181 4.450 1.00 1.97 C ATOM 0 H MET A 60 1.056 -7.461 6.388 1.00 0.28 H new ATOM 0 HA MET A 60 -1.143 -5.542 6.667 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.417 -7.071 5.334 1.00 0.40 H new ATOM 0 HB3 MET A 60 -0.850 -6.904 4.566 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.119 -9.054 5.431 1.00 0.73 H new ATOM 0 HG3 MET A 60 -1.558 -9.202 6.421 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.404 -9.913 4.002 1.00 1.97 H new ATOM 0 HE2 MET A 60 -3.894 -9.151 5.527 1.00 1.97 H new ATOM 0 HE3 MET A 60 -3.932 -8.197 4.026 1.00 1.97 H new ATOM 945 N ASP A 61 -2.566 -6.782 8.358 1.00 0.30 N ATOM 946 CA ASP A 61 -3.255 -7.324 9.523 1.00 0.31 C ATOM 947 C ASP A 61 -4.312 -8.327 9.074 1.00 0.29 C ATOM 948 O ASP A 61 -5.031 -8.078 8.104 1.00 0.34 O ATOM 949 CB ASP A 61 -3.913 -6.204 10.333 1.00 0.42 C ATOM 950 CG ASP A 61 -4.546 -6.720 11.608 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.676 -7.240 11.547 1.00 0.96 O ATOM 952 OD2 ASP A 61 -3.914 -6.602 12.679 1.00 0.94 O ATOM 0 H ASP A 61 -3.067 -6.024 7.894 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.524 -7.825 10.157 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.167 -5.449 10.579 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.673 -5.715 9.724 1.00 0.42 H new ATOM 957 N THR A 62 -4.412 -9.445 9.786 1.00 0.37 N ATOM 958 CA THR A 62 -5.368 -10.497 9.453 1.00 0.44 C ATOM 959 C THR A 62 -6.787 -9.942 9.251 1.00 0.41 C ATOM 960 O THR A 62 -7.519 -10.398 8.366 1.00 0.50 O ATOM 961 CB THR A 62 -5.375 -11.604 10.537 1.00 0.59 C ATOM 962 OG1 THR A 62 -5.776 -12.858 9.966 1.00 0.85 O ATOM 963 CG2 THR A 62 -6.298 -11.252 11.700 1.00 0.74 C ATOM 0 H THR A 62 -3.838 -9.647 10.604 1.00 0.37 H new ATOM 0 HA THR A 62 -5.044 -10.933 8.508 1.00 0.44 H new ATOM 0 HB THR A 62 -4.359 -11.686 10.924 1.00 0.59 H new ATOM 0 HG1 THR A 62 -5.775 -13.549 10.661 1.00 0.85 H new ATOM 0 HG21 THR A 62 -6.275 -12.053 12.438 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.963 -10.323 12.162 1.00 0.74 H new ATOM 0 HG23 THR A 62 -7.316 -11.128 11.332 1.00 0.74 H new ATOM 971 N ASP A 63 -7.166 -8.943 10.050 1.00 0.36 N ATOM 972 CA ASP A 63 -8.499 -8.350 9.945 1.00 0.41 C ATOM 973 C ASP A 63 -8.693 -7.657 8.601 1.00 0.40 C ATOM 974 O ASP A 63 -9.793 -7.655 8.046 1.00 0.65 O ATOM 975 CB ASP A 63 -8.743 -7.348 11.077 1.00 0.47 C ATOM 976 CG ASP A 63 -10.112 -6.699 10.991 1.00 0.62 C ATOM 977 OD1 ASP A 63 -11.090 -7.297 11.484 1.00 0.82 O ATOM 978 OD2 ASP A 63 -10.220 -5.581 10.443 1.00 0.75 O ATOM 0 H ASP A 63 -6.574 -8.531 10.771 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.221 -9.163 10.027 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.645 -7.857 12.036 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -7.975 -6.575 11.046 1.00 0.47 H new ATOM 983 N GLY A 64 -7.609 -7.101 8.071 1.00 0.45 N ATOM 984 CA GLY A 64 -7.668 -6.395 6.807 1.00 0.50 C ATOM 985 C GLY A 64 -7.193 -4.963 6.950 1.00 0.43 C ATOM 986 O GLY A 64 -7.889 -4.026 6.554 1.00 0.64 O ATOM 0 H GLY A 64 -6.684 -7.128 8.499 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -7.053 -6.912 6.071 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -8.691 -6.405 6.431 1.00 0.50 H new ATOM 990 N LEU A 65 -6.005 -4.797 7.519 1.00 0.40 N ATOM 991 CA LEU A 65 -5.425 -3.477 7.735 1.00 0.34 C ATOM 992 C LEU A 65 -3.924 -3.523 7.461 1.00 0.33 C ATOM 993 O LEU A 65 -3.304 -4.576 7.593 1.00 0.60 O ATOM 994 CB LEU A 65 -5.693 -3.024 9.180 1.00 0.37 C ATOM 995 CG LEU A 65 -6.167 -1.575 9.357 1.00 0.71 C ATOM 996 CD1 LEU A 65 -5.009 -0.598 9.211 1.00 1.23 C ATOM 997 CD2 LEU A 65 -7.277 -1.248 8.365 1.00 1.16 C ATOM 0 H LEU A 65 -5.420 -5.568 7.842 1.00 0.40 H new ATOM 0 HA LEU A 65 -5.884 -2.762 7.052 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.443 -3.686 9.613 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.778 -3.158 9.757 1.00 0.37 H new ATOM 0 HG LEU A 65 -6.567 -1.472 10.366 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -5.374 0.421 9.341 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -4.254 -0.813 9.968 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -4.568 -0.702 8.219 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -7.599 -0.216 8.507 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -6.906 -1.376 7.348 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -8.121 -1.918 8.530 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.352 -2.397 7.050 1.00 0.37 N ATOM 1010 CA LEU A 66 -1.921 -2.319 6.773 1.00 0.36 C ATOM 1011 C LEU A 66 -1.230 -1.519 7.869 1.00 0.34 C ATOM 1012 O LEU A 66 -1.728 -0.469 8.284 1.00 0.45 O ATOM 1013 CB LEU A 66 -1.666 -1.676 5.403 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.014 -2.554 4.194 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -3.520 -2.756 4.082 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -1.453 -1.944 2.918 1.00 0.61 C ATOM 0 H LEU A 66 -3.858 -1.524 6.901 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.512 -3.329 6.754 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.243 -0.753 5.340 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.614 -1.399 5.340 1.00 0.41 H new ATOM 0 HG LEU A 66 -1.557 -3.533 4.338 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -3.740 -3.382 3.217 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -3.890 -3.242 4.985 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.009 -1.789 3.964 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -1.708 -2.578 2.069 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -1.880 -0.952 2.771 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.369 -1.864 2.999 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.102 -2.019 8.355 1.00 0.28 N ATOM 1029 CA TYR A 67 0.632 -1.337 9.414 1.00 0.33 C ATOM 1030 C TYR A 67 2.137 -1.400 9.184 1.00 0.30 C ATOM 1031 O TYR A 67 2.648 -2.355 8.590 1.00 0.32 O ATOM 1032 CB TYR A 67 0.284 -1.941 10.780 1.00 0.43 C ATOM 1033 CG TYR A 67 0.424 -3.446 10.834 1.00 0.41 C ATOM 1034 CD1 TYR A 67 1.650 -4.042 11.101 1.00 0.55 C ATOM 1035 CD2 TYR A 67 -0.672 -4.268 10.614 1.00 0.45 C ATOM 1036 CE1 TYR A 67 1.777 -5.416 11.144 1.00 0.65 C ATOM 1037 CE2 TYR A 67 -0.553 -5.642 10.656 1.00 0.55 C ATOM 1038 CZ TYR A 67 0.673 -6.212 10.920 1.00 0.63 C ATOM 1039 OH TYR A 67 0.793 -7.586 10.960 1.00 0.80 O ATOM 0 H TYR A 67 0.323 -2.889 8.036 1.00 0.28 H new ATOM 0 HA TYR A 67 0.333 -0.289 9.398 1.00 0.33 H new ATOM 0 HB2 TYR A 67 0.930 -1.498 11.538 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.741 -1.671 11.036 1.00 0.43 H new ATOM 0 HD1 TYR A 67 2.516 -3.422 11.277 1.00 0.55 H new ATOM 0 HD2 TYR A 67 -1.635 -3.825 10.406 1.00 0.45 H new ATOM 0 HE1 TYR A 67 2.737 -5.866 11.352 1.00 0.65 H new ATOM 0 HE2 TYR A 67 -1.416 -6.267 10.483 1.00 0.55 H new ATOM 0 HH TYR A 67 0.290 -7.980 10.217 1.00 0.80 H new ATOM 1049 N GLY A 68 2.834 -0.369 9.652 1.00 0.34 N ATOM 1050 CA GLY A 68 4.274 -0.306 9.515 1.00 0.38 C ATOM 1051 C GLY A 68 4.972 -0.595 10.829 1.00 0.52 C ATOM 1052 O GLY A 68 5.185 0.310 11.640 1.00 1.27 O ATOM 0 H GLY A 68 2.419 0.432 10.129 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.600 -1.024 8.763 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.563 0.682 9.158 1.00 0.38 H new ATOM 1056 N SER A 69 5.327 -1.851 11.044 1.00 0.36 N ATOM 1057 CA SER A 69 5.997 -2.261 12.266 1.00 0.39 C ATOM 1058 C SER A 69 6.992 -3.375 11.963 1.00 0.32 C ATOM 1059 O SER A 69 6.712 -4.269 11.161 1.00 0.37 O ATOM 1060 CB SER A 69 4.970 -2.720 13.309 1.00 0.51 C ATOM 1061 OG SER A 69 5.530 -2.739 14.612 1.00 1.23 O ATOM 0 H SER A 69 5.160 -2.609 10.382 1.00 0.36 H new ATOM 0 HA SER A 69 6.541 -1.410 12.676 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.108 -2.053 13.291 1.00 0.51 H new ATOM 0 HB3 SER A 69 4.608 -3.716 13.052 1.00 0.51 H new ATOM 0 HG SER A 69 4.852 -3.034 15.255 1.00 1.23 H new ATOM 1067 N GLN A 70 8.157 -3.314 12.601 1.00 0.31 N ATOM 1068 CA GLN A 70 9.200 -4.310 12.388 1.00 0.33 C ATOM 1069 C GLN A 70 8.758 -5.685 12.884 1.00 0.32 C ATOM 1070 O GLN A 70 9.082 -6.099 13.999 1.00 0.45 O ATOM 1071 CB GLN A 70 10.503 -3.883 13.067 1.00 0.43 C ATOM 1072 CG GLN A 70 11.587 -3.485 12.079 1.00 0.61 C ATOM 1073 CD GLN A 70 11.912 -4.592 11.090 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.850 -5.777 11.425 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.238 -4.216 9.864 1.00 1.29 N ATOM 0 H GLN A 70 8.402 -2.584 13.270 1.00 0.31 H new ATOM 0 HA GLN A 70 9.380 -4.383 11.315 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.301 -3.044 13.733 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.868 -4.702 13.687 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.267 -2.597 11.533 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.490 -3.215 12.626 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.278 -3.224 9.628 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.450 -4.918 9.155 1.00 1.29 H new ATOM 1084 N THR A 71 7.991 -6.374 12.053 1.00 0.29 N ATOM 1085 CA THR A 71 7.500 -7.700 12.378 1.00 0.33 C ATOM 1086 C THR A 71 7.620 -8.625 11.162 1.00 0.30 C ATOM 1087 O THR A 71 6.642 -8.862 10.451 1.00 0.38 O ATOM 1088 CB THR A 71 6.031 -7.643 12.854 1.00 0.43 C ATOM 1089 OG1 THR A 71 5.857 -6.558 13.784 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.619 -8.950 13.516 1.00 0.58 C ATOM 0 H THR A 71 7.694 -6.030 11.140 1.00 0.29 H new ATOM 0 HA THR A 71 8.110 -8.097 13.189 1.00 0.33 H new ATOM 0 HB THR A 71 5.399 -7.483 11.980 1.00 0.43 H new ATOM 0 HG1 THR A 71 4.923 -6.527 14.080 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.581 -8.882 13.841 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.723 -9.768 12.803 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.258 -9.138 14.379 1.00 0.58 H new ATOM 1098 N PRO A 72 8.837 -9.135 10.895 1.00 0.30 N ATOM 1099 CA PRO A 72 9.091 -10.031 9.765 1.00 0.33 C ATOM 1100 C PRO A 72 8.121 -11.208 9.741 1.00 0.31 C ATOM 1101 O PRO A 72 8.114 -12.035 10.658 1.00 0.44 O ATOM 1102 CB PRO A 72 10.530 -10.523 9.991 1.00 0.44 C ATOM 1103 CG PRO A 72 10.891 -10.098 11.375 1.00 0.50 C ATOM 1104 CD PRO A 72 10.062 -8.881 11.665 1.00 0.41 C ATOM 0 HA PRO A 72 8.957 -9.523 8.810 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.594 -11.606 9.885 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.211 -10.090 9.259 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.683 -10.891 12.093 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.955 -9.872 11.448 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.856 -8.775 12.730 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.560 -7.966 11.344 1.00 0.41 H new ATOM 1112 N ASN A 73 7.292 -11.263 8.703 1.00 0.28 N ATOM 1113 CA ASN A 73 6.314 -12.338 8.556 1.00 0.31 C ATOM 1114 C ASN A 73 5.838 -12.433 7.106 1.00 0.28 C ATOM 1115 O ASN A 73 6.124 -11.553 6.291 1.00 0.31 O ATOM 1116 CB ASN A 73 5.115 -12.108 9.488 1.00 0.38 C ATOM 1117 CG ASN A 73 4.375 -13.395 9.834 1.00 0.72 C ATOM 1118 OD1 ASN A 73 4.401 -14.371 9.077 1.00 1.01 O ATOM 1119 ND2 ASN A 73 3.710 -13.408 10.982 1.00 1.26 N ATOM 0 H ASN A 73 7.277 -10.575 7.950 1.00 0.28 H new ATOM 0 HA ASN A 73 6.795 -13.277 8.831 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.462 -11.636 10.407 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.422 -11.413 9.015 1.00 0.38 H new ATOM 0 HD21 ASN A 73 3.197 -14.243 11.265 1.00 1.26 H new ATOM 0 HD22 ASN A 73 3.711 -12.583 11.582 1.00 1.26 H new ATOM 1126 N GLU A 74 5.099 -13.493 6.797 1.00 0.28 N ATOM 1127 CA GLU A 74 4.580 -13.714 5.448 1.00 0.30 C ATOM 1128 C GLU A 74 3.512 -12.675 5.082 1.00 0.28 C ATOM 1129 O GLU A 74 3.138 -12.543 3.913 1.00 0.31 O ATOM 1130 CB GLU A 74 3.978 -15.116 5.332 1.00 0.37 C ATOM 1131 CG GLU A 74 4.890 -16.232 5.817 1.00 0.45 C ATOM 1132 CD GLU A 74 4.190 -17.578 5.844 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.270 -17.757 6.671 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.549 -18.460 5.038 1.00 0.79 O ATOM 0 H GLU A 74 4.843 -14.219 7.467 1.00 0.28 H new ATOM 0 HA GLU A 74 5.416 -13.614 4.756 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.050 -15.148 5.902 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.719 -15.302 4.290 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.763 -16.292 5.168 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.252 -15.993 6.817 1.00 0.45 H new ATOM 1141 N GLU A 75 3.044 -11.917 6.075 1.00 0.28 N ATOM 1142 CA GLU A 75 2.009 -10.906 5.858 1.00 0.30 C ATOM 1143 C GLU A 75 2.577 -9.631 5.211 1.00 0.34 C ATOM 1144 O GLU A 75 2.026 -8.541 5.390 1.00 0.60 O ATOM 1145 CB GLU A 75 1.325 -10.559 7.191 1.00 0.37 C ATOM 1146 CG GLU A 75 1.191 -11.738 8.153 1.00 0.49 C ATOM 1147 CD GLU A 75 0.604 -12.976 7.501 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.597 -12.960 7.156 1.00 1.26 O ATOM 1149 OE2 GLU A 75 1.339 -13.973 7.335 1.00 1.21 O ATOM 0 H GLU A 75 3.367 -11.985 7.040 1.00 0.28 H new ATOM 0 HA GLU A 75 1.277 -11.327 5.169 1.00 0.30 H new ATOM 0 HB2 GLU A 75 1.891 -9.767 7.681 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.332 -10.159 6.984 1.00 0.37 H new ATOM 0 HG2 GLU A 75 2.173 -11.980 8.560 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.561 -11.444 8.993 1.00 0.49 H new ATOM 1156 N CYS A 76 3.670 -9.770 4.462 1.00 0.25 N ATOM 1157 CA CYS A 76 4.294 -8.640 3.788 1.00 0.28 C ATOM 1158 C CYS A 76 4.329 -8.862 2.266 1.00 0.28 C ATOM 1159 O CYS A 76 4.862 -8.037 1.524 1.00 0.36 O ATOM 1160 CB CYS A 76 5.714 -8.438 4.326 1.00 0.31 C ATOM 1161 SG CYS A 76 6.440 -6.824 3.956 1.00 0.49 S ATOM 0 H CYS A 76 4.142 -10.661 4.308 1.00 0.25 H new ATOM 0 HA CYS A 76 3.703 -7.746 3.987 1.00 0.28 H new ATOM 0 HB2 CYS A 76 5.701 -8.576 5.407 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.358 -9.214 3.913 1.00 0.31 H new ATOM 0 HG CYS A 76 5.952 -5.933 4.767 1.00 0.49 H new ATOM 1167 N LEU A 77 3.756 -9.978 1.802 1.00 0.27 N ATOM 1168 CA LEU A 77 3.734 -10.297 0.377 1.00 0.31 C ATOM 1169 C LEU A 77 2.463 -9.758 -0.269 1.00 0.25 C ATOM 1170 O LEU A 77 1.358 -10.236 0.014 1.00 0.31 O ATOM 1171 CB LEU A 77 3.829 -11.812 0.163 1.00 0.41 C ATOM 1172 CG LEU A 77 5.239 -12.404 0.244 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.107 -11.862 -0.880 1.00 0.76 C ATOM 1174 CD2 LEU A 77 5.861 -12.112 1.600 1.00 0.58 C ATOM 0 H LEU A 77 3.302 -10.673 2.395 1.00 0.27 H new ATOM 0 HA LEU A 77 4.596 -9.823 -0.093 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.204 -12.306 0.907 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.410 -12.050 -0.815 1.00 0.41 H new ATOM 0 HG LEU A 77 5.170 -13.486 0.129 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.106 -12.292 -0.808 1.00 0.76 H new ATOM 0 HD12 LEU A 77 5.666 -12.127 -1.841 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.173 -10.777 -0.798 1.00 0.76 H new ATOM 0 HD21 LEU A 77 6.863 -12.540 1.641 1.00 0.58 H new ATOM 0 HD22 LEU A 77 5.921 -11.034 1.748 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.246 -12.553 2.385 1.00 0.58 H new ATOM 1186 N PHE A 78 2.628 -8.768 -1.133 1.00 0.21 N ATOM 1187 CA PHE A 78 1.503 -8.155 -1.823 1.00 0.21 C ATOM 1188 C PHE A 78 1.665 -8.284 -3.332 1.00 0.19 C ATOM 1189 O PHE A 78 2.776 -8.480 -3.833 1.00 0.23 O ATOM 1190 CB PHE A 78 1.377 -6.677 -1.433 1.00 0.26 C ATOM 1191 CG PHE A 78 1.166 -6.458 0.040 1.00 0.29 C ATOM 1192 CD1 PHE A 78 2.248 -6.374 0.902 1.00 0.32 C ATOM 1193 CD2 PHE A 78 -0.114 -6.340 0.562 1.00 0.46 C ATOM 1194 CE1 PHE A 78 2.058 -6.176 2.257 1.00 0.38 C ATOM 1195 CE2 PHE A 78 -0.308 -6.144 1.916 1.00 0.53 C ATOM 1196 CZ PHE A 78 0.778 -6.062 2.765 1.00 0.45 C ATOM 0 H PHE A 78 3.536 -8.370 -1.374 1.00 0.21 H new ATOM 0 HA PHE A 78 0.594 -8.677 -1.524 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.279 -6.150 -1.745 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.544 -6.235 -1.980 1.00 0.26 H new ATOM 0 HD1 PHE A 78 3.251 -6.464 0.511 1.00 0.32 H new ATOM 0 HD2 PHE A 78 -0.968 -6.402 -0.097 1.00 0.46 H new ATOM 0 HE1 PHE A 78 2.910 -6.110 2.918 1.00 0.38 H new ATOM 0 HE2 PHE A 78 -1.309 -6.055 2.310 1.00 0.53 H new ATOM 0 HZ PHE A 78 0.627 -5.909 3.823 1.00 0.45 H new ATOM 1206 N LEU A 79 0.552 -8.196 -4.046 1.00 0.21 N ATOM 1207 CA LEU A 79 0.560 -8.284 -5.500 1.00 0.21 C ATOM 1208 C LEU A 79 0.398 -6.890 -6.095 1.00 0.20 C ATOM 1209 O LEU A 79 -0.587 -6.208 -5.809 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.574 -9.201 -5.979 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.293 -9.990 -7.263 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.061 -9.057 -8.443 1.00 0.34 C ATOM 1213 CD2 LEU A 79 0.897 -10.918 -7.066 1.00 0.35 C ATOM 0 H LEU A 79 -0.374 -8.063 -3.639 1.00 0.21 H new ATOM 0 HA LEU A 79 1.509 -8.705 -5.830 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.805 -9.909 -5.183 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.466 -8.594 -6.135 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.171 -10.596 -7.487 1.00 0.30 H new ATOM 0 HD11 LEU A 79 0.136 -9.646 -9.339 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -0.947 -8.442 -8.600 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.795 -8.414 -8.236 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.083 -11.471 -7.987 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.779 -10.330 -6.811 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.682 -11.619 -6.259 1.00 0.35 H new ATOM 1225 N GLU A 80 1.363 -6.469 -6.908 1.00 0.21 N ATOM 1226 CA GLU A 80 1.320 -5.149 -7.532 1.00 0.22 C ATOM 1227 C GLU A 80 0.782 -5.248 -8.959 1.00 0.22 C ATOM 1228 O GLU A 80 1.422 -5.838 -9.833 1.00 0.35 O ATOM 1229 CB GLU A 80 2.716 -4.506 -7.533 1.00 0.28 C ATOM 1230 CG GLU A 80 2.762 -3.139 -8.204 1.00 0.33 C ATOM 1231 CD GLU A 80 3.987 -2.330 -7.814 1.00 0.36 C ATOM 1232 OE1 GLU A 80 5.120 -2.804 -8.032 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.821 -1.201 -7.300 1.00 0.45 O ATOM 0 H GLU A 80 2.185 -7.023 -7.150 1.00 0.21 H new ATOM 0 HA GLU A 80 0.648 -4.518 -6.950 1.00 0.22 H new ATOM 0 HB2 GLU A 80 3.061 -4.407 -6.504 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.413 -5.173 -8.040 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.749 -3.270 -9.286 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.864 -2.580 -7.940 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.399 -4.683 -9.189 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.017 -4.717 -10.510 1.00 0.23 C ATOM 1242 C ARG A 81 -1.165 -3.309 -11.087 1.00 0.20 C ATOM 1243 O ARG A 81 -2.115 -2.592 -10.767 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.387 -5.403 -10.439 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.014 -5.654 -11.805 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.440 -6.168 -11.686 1.00 0.50 C ATOM 1247 NE ARG A 81 -4.971 -6.606 -12.981 1.00 0.69 N ATOM 1248 CZ ARG A 81 -6.258 -6.524 -13.340 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -7.166 -6.027 -12.498 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -6.635 -6.937 -14.548 1.00 1.02 N ATOM 0 H ARG A 81 -0.947 -4.197 -8.479 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.365 -5.289 -11.171 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.281 -6.354 -9.917 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.063 -4.787 -9.846 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.008 -4.730 -12.383 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.411 -6.378 -12.354 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.469 -6.999 -10.981 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.077 -5.382 -11.279 1.00 0.50 H new ATOM 0 HE ARG A 81 -4.314 -7.000 -13.655 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -6.882 -5.706 -11.573 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -8.145 -5.968 -12.780 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -5.944 -7.314 -15.197 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -7.615 -6.876 -14.825 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.217 -2.911 -11.929 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.249 -1.595 -12.562 1.00 0.24 C ATOM 1266 C LEU A 82 -0.998 -1.684 -13.890 1.00 0.27 C ATOM 1267 O LEU A 82 -0.610 -2.455 -14.768 1.00 0.40 O ATOM 1268 CB LEU A 82 1.177 -1.077 -12.791 1.00 0.32 C ATOM 1269 CG LEU A 82 1.281 0.342 -13.361 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.645 1.350 -12.414 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.737 0.703 -13.629 1.00 0.54 C ATOM 0 H LEU A 82 0.586 -3.483 -12.190 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.767 -0.897 -11.904 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.713 -1.109 -11.842 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.688 -1.760 -13.469 1.00 0.32 H new ATOM 0 HG LEU A 82 0.738 0.373 -14.306 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.730 2.351 -12.838 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.407 1.103 -12.273 1.00 0.43 H new ATOM 0 HD13 LEU A 82 1.157 1.319 -11.452 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.793 1.714 -14.033 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.302 0.653 -12.698 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.160 0.001 -14.348 1.00 0.54 H new ATOM 1283 N GLU A 83 -2.061 -0.898 -14.047 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.854 -0.940 -15.276 1.00 0.36 C ATOM 1285 C GLU A 83 -2.523 0.214 -16.230 1.00 0.44 C ATOM 1286 O GLU A 83 -3.344 0.574 -17.076 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.346 -0.928 -14.946 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.217 -1.451 -16.080 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.688 -1.217 -15.839 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.269 -1.910 -14.981 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -7.274 -0.346 -16.510 1.00 1.24 O ATOM 0 H GLU A 83 -2.391 -0.232 -13.349 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.597 -1.868 -15.786 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.519 -1.532 -14.056 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.649 0.091 -14.704 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.924 -0.966 -17.011 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -5.039 -2.519 -16.207 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.339 0.807 -16.088 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.902 1.904 -16.963 1.00 0.38 C ATOM 1300 C GLU A 84 -1.716 3.192 -16.771 1.00 0.31 C ATOM 1301 O GLU A 84 -1.141 4.276 -16.657 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.970 1.465 -18.431 1.00 0.50 C ATOM 1303 CG GLU A 84 -0.957 2.621 -19.424 1.00 0.90 C ATOM 1304 CD GLU A 84 -1.268 2.183 -20.840 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -2.420 1.784 -21.107 1.00 1.14 O ATOM 1306 OE2 GLU A 84 -0.360 2.234 -21.693 1.00 1.23 O ATOM 0 H GLU A 84 -0.659 0.548 -15.373 1.00 0.37 H new ATOM 0 HA GLU A 84 0.126 2.133 -16.684 1.00 0.38 H new ATOM 0 HB2 GLU A 84 -0.126 0.808 -18.643 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -1.876 0.879 -18.583 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -1.685 3.370 -19.112 1.00 0.90 H new ATOM 0 HG3 GLU A 84 0.022 3.100 -19.404 1.00 0.90 H new ATOM 1313 N ASN A 85 -3.043 3.074 -16.764 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.941 4.222 -16.616 1.00 0.37 C ATOM 1315 C ASN A 85 -3.751 4.948 -15.276 1.00 0.29 C ATOM 1316 O ASN A 85 -4.671 5.024 -14.461 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.396 3.757 -16.772 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.384 4.909 -16.832 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -6.047 6.015 -17.256 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.620 4.653 -16.422 1.00 0.79 N ATOM 0 H ASN A 85 -3.527 2.181 -16.861 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.694 4.939 -17.399 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.486 3.161 -17.680 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.655 3.106 -15.937 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -8.329 5.386 -16.452 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.861 3.724 -16.077 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.546 5.481 -15.065 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.193 6.221 -13.850 1.00 0.33 C ATOM 1329 C HIS A 86 -2.789 5.593 -12.586 1.00 0.30 C ATOM 1330 O HIS A 86 -3.129 6.301 -11.637 1.00 0.38 O ATOM 1331 CB HIS A 86 -2.636 7.687 -13.972 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.125 7.883 -13.941 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -4.985 7.977 -12.898 1.00 0.69 N flip ATOM 1334 CD2 HIS A 86 -4.893 8.013 -15.078 1.00 0.58 C flip ATOM 1335 CE1 HIS A 86 -6.241 8.157 -13.420 1.00 0.78 C flip ATOM 1336 NE2 HIS A 86 -6.157 8.174 -14.735 1.00 0.71 N flip ATOM 0 H HIS A 86 -1.782 5.411 -15.737 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.108 6.174 -13.752 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.188 8.259 -13.160 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.246 8.097 -14.904 1.00 0.45 H new ATOM 0 HD1 HIS A 86 -4.743 7.924 -11.908 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -4.519 7.987 -16.091 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.150 8.267 -12.847 1.00 0.78 H new ATOM 1345 N TYR A 87 -2.893 4.268 -12.554 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.449 3.593 -11.392 1.00 0.34 C ATOM 1347 C TYR A 87 -3.046 2.121 -11.361 1.00 0.24 C ATOM 1348 O TYR A 87 -2.756 1.516 -12.399 1.00 0.23 O ATOM 1349 CB TYR A 87 -4.979 3.755 -11.357 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.767 2.516 -11.740 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.066 2.237 -13.069 1.00 0.83 C ATOM 1352 CD2 TYR A 87 -6.225 1.638 -10.763 1.00 0.51 C ATOM 1353 CE1 TYR A 87 -6.798 1.118 -13.411 1.00 1.03 C ATOM 1354 CE2 TYR A 87 -6.954 0.516 -11.099 1.00 0.75 C ATOM 1355 CZ TYR A 87 -7.241 0.262 -12.423 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.982 -0.850 -12.758 1.00 1.27 O ATOM 0 H TYR A 87 -2.603 3.649 -13.311 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.037 4.060 -10.497 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.274 4.058 -10.352 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.258 4.566 -12.029 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.721 2.905 -13.844 1.00 0.83 H new ATOM 0 HD2 TYR A 87 -6.006 1.838 -9.724 1.00 0.51 H new ATOM 0 HE1 TYR A 87 -7.023 0.913 -14.447 1.00 1.03 H new ATOM 0 HE2 TYR A 87 -7.298 -0.159 -10.329 1.00 0.75 H new ATOM 0 HH TYR A 87 -7.511 -1.361 -13.448 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.021 1.567 -10.159 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.663 0.173 -9.952 1.00 0.20 C ATOM 1368 C ASN A 88 -3.556 -0.439 -8.877 1.00 0.20 C ATOM 1369 O ASN A 88 -4.319 0.273 -8.214 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.187 0.066 -9.543 1.00 0.21 C ATOM 1371 CG ASN A 88 -0.997 0.076 -8.036 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.110 1.249 -7.427 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.781 -0.965 -7.424 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.248 2.070 -9.301 1.00 0.24 H new ATOM 0 HA ASN A 88 -2.809 -0.375 -10.883 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.766 -0.852 -9.953 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.631 0.895 -9.981 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.701 -1.847 -7.930 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.682 -0.949 -6.409 1.00 0.24 H new ATOM 1380 N THR A 89 -3.464 -1.748 -8.714 1.00 0.23 N ATOM 1381 CA THR A 89 -4.247 -2.454 -7.714 1.00 0.26 C ATOM 1382 C THR A 89 -3.366 -3.412 -6.914 1.00 0.21 C ATOM 1383 O THR A 89 -2.591 -4.180 -7.490 1.00 0.25 O ATOM 1384 CB THR A 89 -5.415 -3.233 -8.363 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.115 -3.535 -9.737 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.706 -2.424 -8.286 1.00 0.72 C ATOM 0 H THR A 89 -2.850 -2.347 -9.266 1.00 0.23 H new ATOM 0 HA THR A 89 -4.664 -1.708 -7.038 1.00 0.26 H new ATOM 0 HB THR A 89 -5.548 -4.165 -7.814 1.00 0.34 H new ATOM 0 HG1 THR A 89 -5.947 -3.574 -10.253 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.517 -2.988 -8.747 1.00 0.72 H new ATOM 0 HG22 THR A 89 -6.950 -2.226 -7.242 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.575 -1.479 -8.813 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.477 -3.343 -5.589 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.694 -4.200 -4.703 1.00 0.21 C ATOM 1396 C TYR A 90 -3.587 -5.220 -4.000 1.00 0.23 C ATOM 1397 O TYR A 90 -4.701 -4.895 -3.580 1.00 0.28 O ATOM 1398 CB TYR A 90 -1.961 -3.369 -3.644 1.00 0.27 C ATOM 1399 CG TYR A 90 -0.828 -2.515 -4.172 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.359 -3.092 -4.611 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -0.936 -1.134 -4.208 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.406 -2.312 -5.071 1.00 0.29 C ATOM 1403 CE2 TYR A 90 0.101 -0.347 -4.670 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.271 -0.937 -5.100 1.00 0.31 C ATOM 1405 OH TYR A 90 2.307 -0.146 -5.551 1.00 0.36 O ATOM 0 H TYR A 90 -4.104 -2.700 -5.105 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.964 -4.723 -5.321 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.684 -2.721 -3.148 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.564 -4.043 -2.885 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.466 -4.167 -4.593 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -1.847 -0.664 -3.869 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.323 -2.775 -5.405 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.004 0.728 -4.694 1.00 0.31 H new ATOM 0 HH TYR A 90 2.574 -0.437 -6.448 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.093 -6.445 -3.870 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.838 -7.503 -3.196 1.00 0.26 C ATOM 1417 C ILE A 91 -2.902 -8.394 -2.382 1.00 0.27 C ATOM 1418 O ILE A 91 -1.692 -8.433 -2.631 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.648 -8.376 -4.181 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.753 -8.915 -5.298 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.806 -7.582 -4.765 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.454 -9.892 -6.222 1.00 0.31 C ATOM 0 H ILE A 91 -2.180 -6.731 -4.222 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.543 -7.005 -2.530 1.00 0.26 H new ATOM 0 HB ILE A 91 -5.050 -9.226 -3.629 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.377 -8.078 -5.886 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.888 -9.406 -4.853 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.366 -8.211 -5.457 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.463 -7.252 -3.961 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.419 -6.713 -5.297 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.757 -10.232 -6.989 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.806 -10.748 -5.647 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.303 -9.399 -6.696 1.00 0.31 H new ATOM 1434 N SER A 92 -3.472 -9.096 -1.408 1.00 0.33 N ATOM 1435 CA SER A 92 -2.715 -9.990 -0.537 1.00 0.37 C ATOM 1436 C SER A 92 -2.211 -11.219 -1.298 1.00 0.31 C ATOM 1437 O SER A 92 -2.994 -11.956 -1.899 1.00 0.44 O ATOM 1438 CB SER A 92 -3.598 -10.422 0.643 1.00 0.50 C ATOM 1439 OG SER A 92 -4.974 -10.192 0.363 1.00 0.82 O ATOM 0 H SER A 92 -4.470 -9.062 -1.200 1.00 0.33 H new ATOM 0 HA SER A 92 -1.843 -9.452 -0.166 1.00 0.37 H new ATOM 0 HB2 SER A 92 -3.438 -11.480 0.853 1.00 0.50 H new ATOM 0 HB3 SER A 92 -3.309 -9.872 1.538 1.00 0.50 H new ATOM 0 HG SER A 92 -5.516 -10.477 1.129 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.899 -11.441 -1.264 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.298 -12.584 -1.950 1.00 0.31 C ATOM 1447 C LYS A 93 -0.536 -13.874 -1.166 1.00 0.29 C ATOM 1448 O LYS A 93 -1.177 -14.802 -1.663 1.00 0.35 O ATOM 1449 CB LYS A 93 1.207 -12.347 -2.157 1.00 0.42 C ATOM 1450 CG LYS A 93 1.963 -13.520 -2.779 1.00 0.55 C ATOM 1451 CD LYS A 93 2.236 -14.620 -1.761 1.00 0.74 C ATOM 1452 CE LYS A 93 3.583 -15.294 -1.984 1.00 0.80 C ATOM 1453 NZ LYS A 93 3.616 -16.125 -3.216 1.00 0.80 N ATOM 0 H LYS A 93 -0.233 -10.847 -0.770 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.772 -12.690 -2.926 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.338 -11.471 -2.792 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.659 -12.112 -1.193 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.384 -13.927 -3.608 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.907 -13.166 -3.193 1.00 0.55 H new ATOM 0 HD2 LYS A 93 2.206 -14.198 -0.757 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.445 -15.368 -1.817 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.360 -14.532 -2.045 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.818 -15.920 -1.123 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 4.266 -16.925 -3.078 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 2.662 -16.486 -3.417 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 3.943 -15.547 -4.016 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.019 -13.928 0.063 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.172 -15.113 0.908 1.00 0.31 C ATOM 1469 C LYS A 94 -1.644 -15.464 1.095 1.00 0.31 C ATOM 1470 O LYS A 94 -2.027 -16.632 1.040 1.00 0.56 O ATOM 1471 CB LYS A 94 0.485 -14.891 2.276 1.00 0.36 C ATOM 1472 CG LYS A 94 0.026 -15.877 3.345 1.00 0.55 C ATOM 1473 CD LYS A 94 0.825 -15.737 4.629 1.00 0.55 C ATOM 1474 CE LYS A 94 0.212 -16.552 5.759 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.017 -16.471 7.004 1.00 0.69 N ATOM 0 H LYS A 94 0.507 -13.168 0.494 1.00 0.28 H new ATOM 0 HA LYS A 94 0.324 -15.944 0.406 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.567 -14.966 2.166 1.00 0.36 H new ATOM 0 HB3 LYS A 94 0.268 -13.877 2.613 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -1.031 -15.716 3.557 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.124 -16.894 2.966 1.00 0.55 H new ATOM 0 HD2 LYS A 94 1.851 -16.064 4.458 1.00 0.55 H new ATOM 0 HD3 LYS A 94 0.869 -14.687 4.919 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.799 -16.194 5.957 1.00 0.63 H new ATOM 0 HE3 LYS A 94 0.127 -17.594 5.450 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 0.592 -17.080 7.732 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 1.988 -16.788 6.811 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.035 -15.488 7.343 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.466 -14.446 1.309 1.00 0.27 N ATOM 1490 CA HIS A 95 -3.889 -14.655 1.521 1.00 0.28 C ATOM 1491 C HIS A 95 -4.661 -14.544 0.207 1.00 0.27 C ATOM 1492 O HIS A 95 -5.717 -13.908 0.153 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.435 -13.656 2.548 1.00 0.36 C ATOM 1494 CG HIS A 95 -3.783 -13.764 3.893 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.265 -14.563 4.910 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.667 -13.173 4.381 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.477 -14.453 5.964 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.501 -13.618 5.666 1.00 0.50 N ATOM 0 H HIS A 95 -2.172 -13.470 1.340 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.026 -15.664 1.911 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.298 -12.644 2.167 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.508 -13.812 2.660 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -2.027 -12.480 3.855 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -3.609 -14.960 6.908 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -1.743 -13.347 6.292 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.137 -15.174 -0.847 1.00 0.31 N ATOM 1508 CA ALA A 96 -4.789 -15.157 -2.155 1.00 0.35 C ATOM 1509 C ALA A 96 -6.247 -15.603 -2.036 1.00 0.34 C ATOM 1510 O ALA A 96 -7.108 -15.158 -2.797 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.044 -16.049 -3.140 1.00 0.44 C ATOM 0 H ALA A 96 -3.264 -15.701 -0.819 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.768 -14.134 -2.530 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.546 -16.022 -4.107 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.020 -15.691 -3.252 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.032 -17.073 -2.766 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.516 -16.480 -1.069 1.00 0.34 N ATOM 1518 CA GLU A 97 -7.865 -16.981 -0.831 1.00 0.38 C ATOM 1519 C GLU A 97 -8.824 -15.834 -0.498 1.00 0.37 C ATOM 1520 O GLU A 97 -10.041 -15.975 -0.642 1.00 0.50 O ATOM 1521 CB GLU A 97 -7.857 -18.001 0.312 1.00 0.46 C ATOM 1522 CG GLU A 97 -6.822 -19.104 0.148 1.00 0.57 C ATOM 1523 CD GLU A 97 -7.024 -19.931 -1.107 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -6.609 -19.485 -2.191 1.00 0.93 O ATOM 1525 OE2 GLU A 97 -7.594 -21.040 -1.008 1.00 0.97 O ATOM 0 H GLU A 97 -5.812 -16.859 -0.436 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.211 -17.467 -1.743 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -7.671 -17.479 1.250 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -8.846 -18.453 0.389 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -5.827 -18.659 0.126 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -6.859 -19.760 1.018 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.269 -14.710 -0.038 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.052 -13.531 0.304 1.00 0.38 C ATOM 1534 C LYS A 98 -8.410 -12.292 -0.324 1.00 0.37 C ATOM 1535 O LYS A 98 -7.866 -11.432 0.375 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.139 -13.369 1.827 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.847 -14.516 2.533 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.810 -14.351 4.049 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.664 -13.182 4.517 1.00 0.78 C ATOM 1540 NZ LYS A 98 -10.526 -12.937 5.981 1.00 0.89 N ATOM 0 H LYS A 98 -7.266 -14.597 0.106 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.063 -13.649 -0.086 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.131 -13.275 2.230 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.661 -12.439 2.054 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -10.883 -14.567 2.197 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.376 -15.460 2.258 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -10.161 -15.268 4.522 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -8.780 -14.200 4.372 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -10.378 -12.283 3.971 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.709 -13.380 4.280 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.125 -12.132 6.256 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -10.824 -13.785 6.504 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -9.533 -12.722 6.205 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.453 -12.220 -1.650 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.869 -11.099 -2.379 1.00 0.48 C ATOM 1556 C ASN A 99 -8.783 -9.878 -2.325 1.00 0.44 C ATOM 1557 O ASN A 99 -9.692 -9.727 -3.141 1.00 0.78 O ATOM 1558 CB ASN A 99 -7.570 -11.483 -3.837 1.00 0.64 C ATOM 1559 CG ASN A 99 -8.791 -11.992 -4.593 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -9.582 -12.774 -4.065 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -8.946 -11.563 -5.839 1.00 1.07 N ATOM 0 H ASN A 99 -8.887 -12.927 -2.244 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.927 -10.844 -1.895 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -7.166 -10.615 -4.358 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.797 -12.252 -3.851 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -9.741 -11.881 -6.393 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -8.270 -10.915 -6.243 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.536 -9.015 -1.347 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.323 -7.802 -1.172 1.00 0.32 C ATOM 1570 C TRP A 100 -8.450 -6.563 -1.377 1.00 0.32 C ATOM 1571 O TRP A 100 -7.315 -6.510 -0.900 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.965 -7.780 0.218 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.871 -8.948 0.478 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.625 -10.013 1.300 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.164 -9.176 -0.096 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -11.688 -10.883 1.275 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.644 -10.393 0.426 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -12.965 -8.468 -0.997 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -13.884 -10.917 0.075 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.197 -8.991 -1.345 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.646 -10.204 -0.811 1.00 1.08 C ATOM 0 H TRP A 100 -7.792 -9.135 -0.660 1.00 0.33 H new ATOM 0 HA TRP A 100 -10.115 -7.792 -1.920 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -9.178 -7.766 0.972 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.533 -6.857 0.332 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -9.727 -10.150 1.883 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -11.754 -11.753 1.803 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.628 -7.530 -1.413 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.233 -11.853 0.487 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.824 -8.454 -2.041 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -15.613 -10.585 -1.104 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.991 -5.574 -2.086 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.265 -4.339 -2.373 1.00 0.29 C ATOM 1594 C PHE A 101 -8.061 -3.506 -1.107 1.00 0.29 C ATOM 1595 O PHE A 101 -8.979 -3.361 -0.293 1.00 0.38 O ATOM 1596 CB PHE A 101 -9.001 -3.511 -3.430 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.132 -4.210 -4.754 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -8.038 -4.336 -5.595 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.346 -4.742 -5.154 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.153 -4.980 -6.812 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -10.468 -5.384 -6.370 1.00 0.64 C ATOM 1602 CZ PHE A 101 -9.370 -5.505 -7.200 1.00 0.64 C ATOM 0 H PHE A 101 -9.934 -5.605 -2.474 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.285 -4.618 -2.761 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -9.995 -3.264 -3.059 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.472 -2.569 -3.576 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.085 -3.926 -5.296 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.207 -4.654 -4.508 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -7.293 -5.073 -7.459 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -11.421 -5.792 -6.672 1.00 0.64 H new ATOM 0 HZ PHE A 101 -9.463 -6.009 -8.150 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.857 -2.958 -0.963 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.495 -2.139 0.196 1.00 0.35 C ATOM 1614 C VAL A 102 -6.876 -0.661 -0.016 1.00 0.55 C ATOM 1615 O VAL A 102 -7.888 -0.364 -0.656 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.980 -2.273 0.503 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.612 -3.725 0.771 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.136 -1.703 -0.633 1.00 0.82 C ATOM 0 H VAL A 102 -6.105 -3.067 -1.643 1.00 0.30 H new ATOM 0 HA VAL A 102 -7.060 -2.506 1.053 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.767 -1.694 1.401 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.545 -3.797 0.984 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -5.178 -4.092 1.627 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.848 -4.328 -0.106 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.079 -1.811 -0.390 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.354 -2.243 -1.554 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.372 -0.647 -0.767 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.094 0.259 0.556 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.367 1.676 0.401 1.00 0.46 C ATOM 1630 C GLY A 103 -6.727 2.339 1.714 1.00 0.41 C ATOM 1631 O GLY A 103 -7.734 1.979 2.338 1.00 0.59 O ATOM 0 H GLY A 103 -5.275 0.043 1.125 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -5.492 2.168 -0.024 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.184 1.811 -0.308 1.00 0.46 H new ATOM 1635 N LEU A 104 -5.914 3.304 2.128 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.137 4.023 3.380 1.00 0.34 C ATOM 1637 C LEU A 104 -7.058 5.224 3.167 1.00 0.34 C ATOM 1638 O LEU A 104 -7.532 5.464 2.053 1.00 0.49 O ATOM 1639 CB LEU A 104 -4.801 4.484 3.987 1.00 0.38 C ATOM 1640 CG LEU A 104 -4.120 5.665 3.280 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -3.376 6.532 4.286 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.161 5.170 2.207 1.00 0.66 C ATOM 0 H LEU A 104 -5.089 3.609 1.612 1.00 0.37 H new ATOM 0 HA LEU A 104 -6.621 3.337 4.075 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -4.971 4.757 5.028 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.113 3.639 3.988 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.894 6.266 2.803 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -2.900 7.364 3.767 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -4.079 6.919 5.023 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -2.615 5.935 4.789 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.690 6.023 1.719 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.395 4.545 2.665 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -3.711 4.587 1.468 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.314 5.965 4.239 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.168 7.140 4.176 1.00 0.41 C ATOM 1656 C LYS A 105 -7.476 8.336 4.825 1.00 0.32 C ATOM 1657 O LYS A 105 -6.871 8.204 5.895 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.501 6.865 4.881 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.635 7.760 4.413 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.087 7.390 3.011 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.287 8.212 2.576 1.00 0.73 C ATOM 1662 NZ LYS A 105 -11.943 9.643 2.369 1.00 0.60 N ATOM 0 H LYS A 105 -6.938 5.769 5.167 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.361 7.370 3.128 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -9.780 5.824 4.718 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.367 6.994 5.955 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.475 7.676 5.102 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.311 8.801 4.430 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.266 7.545 2.311 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.340 6.330 2.977 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.691 7.800 1.651 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.071 8.134 3.329 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -12.792 10.165 2.073 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.582 10.045 3.257 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.214 9.722 1.632 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.584 9.501 4.184 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.969 10.736 4.691 1.00 0.46 C ATOM 1678 C LYS A 106 -7.206 10.919 6.194 1.00 0.51 C ATOM 1679 O LYS A 106 -6.385 11.516 6.887 1.00 0.67 O ATOM 1680 CB LYS A 106 -7.502 11.956 3.929 1.00 0.60 C ATOM 1681 CG LYS A 106 -8.988 12.218 4.138 1.00 0.67 C ATOM 1682 CD LYS A 106 -9.417 13.529 3.494 1.00 0.90 C ATOM 1683 CE LYS A 106 -10.805 13.950 3.952 1.00 1.14 C ATOM 1684 NZ LYS A 106 -11.174 15.300 3.454 1.00 1.43 N ATOM 0 H LYS A 106 -8.094 9.619 3.308 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.895 10.649 4.529 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.941 12.838 4.239 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -7.315 11.817 2.864 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -9.567 11.397 3.715 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -9.207 12.246 5.205 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -8.699 14.310 3.743 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -9.408 13.422 2.409 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -11.538 13.223 3.602 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -10.844 13.943 5.041 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -12.127 15.546 3.790 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -10.491 15.999 3.808 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -11.163 15.301 2.414 1.00 1.43 H new ATOM 1698 N ASN A 107 -8.333 10.404 6.686 1.00 0.53 N ATOM 1699 CA ASN A 107 -8.680 10.500 8.106 1.00 0.70 C ATOM 1700 C ASN A 107 -7.572 9.940 9.009 1.00 0.65 C ATOM 1701 O ASN A 107 -7.504 10.282 10.191 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.997 9.762 8.378 1.00 0.83 C ATOM 1703 CG ASN A 107 -10.202 9.432 9.849 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -10.005 8.291 10.273 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -10.594 10.422 10.634 1.00 1.38 N ATOM 0 H ASN A 107 -9.025 9.913 6.120 1.00 0.53 H new ATOM 0 HA ASN A 107 -8.796 11.558 8.342 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -10.829 10.374 8.030 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -10.016 8.839 7.798 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -10.744 10.255 11.629 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -10.746 11.352 10.244 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.712 9.086 8.457 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.638 8.502 9.242 1.00 0.55 C ATOM 1714 C GLY A 108 -5.892 7.045 9.580 1.00 0.52 C ATOM 1715 O GLY A 108 -5.309 6.507 10.523 1.00 1.00 O ATOM 0 H GLY A 108 -6.740 8.789 7.482 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.702 8.586 8.690 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.516 9.070 10.164 1.00 0.55 H new ATOM 1719 N SER A 109 -6.776 6.409 8.817 1.00 0.52 N ATOM 1720 CA SER A 109 -7.106 5.009 9.020 1.00 0.56 C ATOM 1721 C SER A 109 -7.198 4.302 7.669 1.00 0.51 C ATOM 1722 O SER A 109 -7.234 4.957 6.623 1.00 0.81 O ATOM 1723 CB SER A 109 -8.420 4.879 9.799 1.00 0.75 C ATOM 1724 OG SER A 109 -9.348 5.899 9.443 1.00 0.97 O ATOM 0 H SER A 109 -7.279 6.849 8.046 1.00 0.52 H new ATOM 0 HA SER A 109 -6.320 4.535 9.608 1.00 0.56 H new ATOM 0 HB2 SER A 109 -8.862 3.902 9.606 1.00 0.75 H new ATOM 0 HB3 SER A 109 -8.215 4.931 10.868 1.00 0.75 H new ATOM 0 HG SER A 109 -9.257 6.654 10.061 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.218 2.977 7.684 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.298 2.205 6.450 1.00 0.38 C ATOM 1732 C CYS A 110 -8.658 1.529 6.326 1.00 0.36 C ATOM 1733 O CYS A 110 -9.374 1.364 7.319 1.00 0.54 O ATOM 1734 CB CYS A 110 -6.175 1.166 6.400 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.517 1.874 6.256 1.00 0.61 S ATOM 0 H CYS A 110 -7.180 2.414 8.534 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.178 2.887 5.608 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.220 0.555 7.301 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -6.348 0.500 5.555 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.638 0.917 6.224 1.00 0.61 H new ATOM 1741 N LYS A 111 -9.026 1.151 5.107 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.303 0.500 4.871 1.00 0.44 C ATOM 1743 C LYS A 111 -10.165 -0.649 3.882 1.00 0.47 C ATOM 1744 O LYS A 111 -10.176 -0.449 2.665 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.337 1.515 4.385 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.719 2.532 5.450 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.560 1.897 6.551 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.336 2.568 7.898 1.00 0.94 C ATOM 1749 NZ LYS A 111 -11.391 1.801 8.754 1.00 1.27 N ATOM 0 H LYS A 111 -8.458 1.285 4.271 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.647 0.080 5.816 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -10.942 2.039 3.515 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.232 0.985 4.059 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -10.817 2.964 5.883 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.275 3.350 4.991 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.615 1.962 6.285 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -12.316 0.838 6.629 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -11.948 3.574 7.741 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.290 2.671 8.414 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -11.421 2.174 9.725 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -11.664 0.797 8.760 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -10.426 1.895 8.377 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.996 -1.845 4.431 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.875 -3.061 3.638 1.00 0.36 C ATOM 1765 C ARG A 112 -10.815 -4.121 4.203 1.00 0.37 C ATOM 1766 O ARG A 112 -11.679 -4.645 3.496 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.433 -3.582 3.660 1.00 0.39 C ATOM 1768 CG ARG A 112 -8.026 -4.341 2.403 1.00 0.42 C ATOM 1769 CD ARG A 112 -8.930 -5.536 2.133 1.00 0.55 C ATOM 1770 NE ARG A 112 -8.684 -6.644 3.065 1.00 0.81 N ATOM 1771 CZ ARG A 112 -9.641 -7.425 3.592 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -10.928 -7.178 3.352 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -9.311 -8.446 4.377 1.00 1.57 N ATOM 0 H ARG A 112 -9.939 -1.999 5.438 1.00 0.36 H new ATOM 0 HA ARG A 112 -10.143 -2.839 2.605 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.756 -2.739 3.798 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -8.308 -4.236 4.523 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -8.055 -3.666 1.548 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.996 -4.683 2.505 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.972 -5.225 2.209 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -8.775 -5.883 1.111 1.00 0.55 H new ATOM 0 HE ARG A 112 -7.718 -6.834 3.331 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -11.195 -6.389 2.763 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -11.647 -7.778 3.757 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -8.330 -8.637 4.580 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -10.039 -9.038 4.777 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.628 -4.427 5.485 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.456 -5.407 6.159 1.00 0.43 C ATOM 1789 C GLY A 113 -12.929 -5.027 6.195 1.00 0.41 C ATOM 1790 O GLY A 113 -13.776 -5.840 5.817 1.00 0.46 O ATOM 0 H GLY A 113 -9.908 -4.006 6.073 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.348 -6.369 5.659 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -11.096 -5.536 7.180 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.276 -3.799 6.647 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.670 -3.348 6.729 1.00 0.50 C ATOM 1796 C PRO A 114 -15.451 -3.657 5.454 1.00 0.41 C ATOM 1797 O PRO A 114 -16.467 -4.353 5.491 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.562 -1.827 6.951 1.00 0.62 C ATOM 1799 CG PRO A 114 -13.112 -1.494 6.806 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.358 -2.755 7.118 1.00 0.52 C ATOM 0 HA PRO A 114 -15.212 -3.857 7.526 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -15.163 -1.282 6.223 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -14.930 -1.549 7.939 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.891 -1.149 5.796 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -12.827 -0.692 7.487 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.400 -2.793 6.600 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -12.148 -2.849 8.183 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.959 -3.150 4.327 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.604 -3.362 3.038 1.00 0.39 C ATOM 1810 C ARG A 115 -14.849 -2.625 1.940 1.00 0.44 C ATOM 1811 O ARG A 115 -14.737 -1.397 1.972 1.00 0.81 O ATOM 1812 CB ARG A 115 -17.058 -2.882 3.081 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.772 -2.960 1.739 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.887 -1.930 1.643 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.388 -0.563 1.834 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.154 0.478 2.177 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.466 0.327 2.332 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.607 1.673 2.357 1.00 1.47 N ATOM 0 H ARG A 115 -14.110 -2.586 4.282 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.592 -4.430 2.821 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.607 -3.480 3.809 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -17.080 -1.851 3.434 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -17.055 -2.799 0.934 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -18.185 -3.959 1.602 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.370 -2.007 0.669 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.647 -2.147 2.393 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.391 -0.396 1.696 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.895 -0.588 2.189 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.044 1.126 2.594 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.602 1.798 2.234 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.191 2.467 2.619 1.00 1.47 H new ATOM 1832 N THR A 116 -14.332 -3.377 0.982 1.00 0.36 N ATOM 1833 CA THR A 116 -13.597 -2.807 -0.133 1.00 0.38 C ATOM 1834 C THR A 116 -14.272 -3.201 -1.449 1.00 0.39 C ATOM 1835 O THR A 116 -14.419 -4.385 -1.749 1.00 0.51 O ATOM 1836 CB THR A 116 -12.112 -3.258 -0.111 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.337 -2.471 -1.023 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.972 -4.737 -0.457 1.00 0.58 C ATOM 0 H THR A 116 -14.410 -4.394 0.956 1.00 0.36 H new ATOM 0 HA THR A 116 -13.608 -1.721 -0.043 1.00 0.38 H new ATOM 0 HB THR A 116 -11.738 -3.108 0.902 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.385 -2.669 -0.898 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.919 -5.018 -0.432 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.524 -5.334 0.268 1.00 0.58 H new ATOM 0 HG23 THR A 116 -12.372 -4.917 -1.455 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.703 -2.201 -2.215 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.391 -2.426 -3.487 1.00 0.39 C ATOM 1848 C HIS A 117 -15.798 -1.091 -4.104 1.00 0.36 C ATOM 1849 O HIS A 117 -15.348 -0.736 -5.191 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.643 -3.297 -3.292 1.00 0.43 C ATOM 1851 CG HIS A 117 -16.429 -4.753 -3.571 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -16.657 -5.737 -2.633 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -16.013 -5.392 -4.688 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -16.396 -6.916 -3.162 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -16.000 -6.733 -4.404 1.00 0.89 N ATOM 0 H HIS A 117 -14.587 -1.217 -1.974 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.703 -2.946 -4.153 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.995 -3.183 -2.267 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.434 -2.926 -3.943 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -15.742 -4.932 -5.627 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -16.491 -7.869 -2.662 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -15.727 -7.472 -5.052 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.650 -0.356 -3.393 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.122 0.941 -3.864 1.00 0.41 C ATOM 1866 C TYR A 118 -16.144 2.039 -3.474 1.00 0.39 C ATOM 1867 O TYR A 118 -15.401 1.901 -2.498 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.506 1.255 -3.287 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.615 0.418 -3.877 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -19.842 -0.876 -3.434 1.00 0.75 C ATOM 1871 CD2 TYR A 118 -20.434 0.924 -4.879 1.00 0.79 C ATOM 1872 CE1 TYR A 118 -20.851 -1.644 -3.975 1.00 0.87 C ATOM 1873 CE2 TYR A 118 -21.445 0.161 -5.425 1.00 0.92 C ATOM 1874 CZ TYR A 118 -21.651 -1.121 -4.968 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.656 -1.887 -5.513 1.00 1.05 O ATOM 0 H TYR A 118 -17.027 -0.638 -2.488 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.194 0.898 -4.951 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.483 1.103 -2.208 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.729 2.309 -3.455 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -19.219 -1.288 -2.654 1.00 0.75 H new ATOM 0 HD2 TYR A 118 -20.276 1.931 -5.236 1.00 0.79 H new ATOM 0 HE1 TYR A 118 -21.014 -2.652 -3.622 1.00 0.87 H new ATOM 0 HE2 TYR A 118 -22.071 0.567 -6.206 1.00 0.92 H new ATOM 0 HH TYR A 118 -23.126 -1.369 -6.199 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.158 3.132 -4.230 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.268 4.236 -3.951 1.00 0.39 C ATOM 1887 C GLY A 119 -13.898 4.022 -4.559 1.00 0.37 C ATOM 1888 O GLY A 119 -13.144 3.152 -4.114 1.00 0.44 O ATOM 0 H GLY A 119 -16.773 3.270 -5.032 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.699 5.158 -4.342 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.171 4.361 -2.873 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.572 4.822 -5.571 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.282 4.725 -6.254 1.00 0.38 C ATOM 1894 C GLN A 120 -11.131 4.559 -5.260 1.00 0.37 C ATOM 1895 O GLN A 120 -10.125 3.924 -5.573 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.048 5.953 -7.134 1.00 0.50 C ATOM 1897 CG GLN A 120 -12.898 5.954 -8.393 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.762 7.233 -9.193 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.912 7.342 -10.079 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -13.598 8.212 -8.890 1.00 1.00 N ATOM 0 H GLN A 120 -14.186 5.549 -5.939 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.310 3.837 -6.885 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.263 6.852 -6.557 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -10.995 5.997 -7.413 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -12.613 5.108 -9.018 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -13.944 5.811 -8.120 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -14.288 8.083 -8.150 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -13.553 9.096 -9.397 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.290 5.112 -4.055 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.266 5.005 -3.017 1.00 0.61 C ATOM 1911 C LYS A 121 -9.857 3.540 -2.785 1.00 0.58 C ATOM 1912 O LYS A 121 -8.785 3.268 -2.244 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.765 5.633 -1.701 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.520 4.665 -0.793 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.567 3.927 0.140 1.00 1.39 C ATOM 1916 CE LYS A 121 -10.897 2.441 0.231 1.00 1.34 C ATOM 1917 NZ LYS A 121 -9.675 1.604 0.370 1.00 1.70 N ATOM 0 H LYS A 121 -12.118 5.638 -3.776 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.387 5.552 -3.359 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.911 6.034 -1.156 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.416 6.475 -1.937 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -12.257 5.213 -0.205 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.068 3.945 -1.401 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.544 4.051 -0.215 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -10.616 4.371 1.134 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.554 2.267 1.084 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.445 2.136 -0.661 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -9.943 0.599 0.394 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.044 1.774 -0.439 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -9.183 1.852 1.252 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.725 2.599 -3.165 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.441 1.180 -2.994 1.00 0.65 C ATOM 1933 C ALA A 122 -9.791 0.566 -4.238 1.00 0.57 C ATOM 1934 O ALA A 122 -9.225 -0.522 -4.162 1.00 0.72 O ATOM 1935 CB ALA A 122 -11.719 0.429 -2.648 1.00 0.77 C ATOM 0 H ALA A 122 -11.629 2.799 -3.593 1.00 0.54 H new ATOM 0 HA ALA A 122 -9.729 1.087 -2.174 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.496 -0.630 -2.522 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.134 0.825 -1.721 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.444 0.554 -3.453 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.854 1.261 -5.376 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.284 0.732 -6.613 1.00 0.48 C ATOM 1943 C ILE A 123 -8.662 1.842 -7.469 1.00 0.41 C ATOM 1944 O ILE A 123 -8.789 1.841 -8.698 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.351 -0.028 -7.448 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.261 -0.855 -6.532 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.679 -0.929 -8.480 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.337 -1.624 -7.269 1.00 0.79 C ATOM 0 H ILE A 123 -10.288 2.180 -5.465 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.499 0.034 -6.322 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.962 0.706 -7.973 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -10.649 -1.557 -5.966 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -11.734 -0.190 -5.809 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.441 -1.454 -9.056 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -9.070 -0.323 -9.151 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -9.045 -1.655 -7.971 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -12.939 -2.184 -6.553 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.975 -0.927 -7.813 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -11.873 -2.316 -7.972 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.986 2.788 -6.822 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.343 3.885 -7.536 1.00 0.29 C ATOM 1962 C LEU A 124 -6.122 4.388 -6.767 1.00 0.26 C ATOM 1963 O LEU A 124 -6.187 5.390 -6.048 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.338 5.027 -7.775 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.879 6.093 -8.775 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.707 5.488 -10.162 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -8.875 7.243 -8.815 1.00 0.58 C ATOM 0 H LEU A 124 -7.870 2.816 -5.809 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.007 3.513 -8.504 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.277 4.601 -8.128 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.546 5.512 -6.821 1.00 0.33 H new ATOM 0 HG LEU A 124 -6.914 6.480 -8.449 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.381 6.261 -10.858 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.960 4.696 -10.123 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.657 5.074 -10.499 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.536 7.993 -9.530 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.852 6.868 -9.119 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -8.951 7.693 -7.825 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.009 3.676 -6.918 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.764 4.032 -6.241 1.00 0.23 C ATOM 1981 C PHE A 125 -2.677 4.346 -7.263 1.00 0.17 C ATOM 1982 O PHE A 125 -2.496 3.600 -8.234 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.309 2.892 -5.323 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.430 2.286 -4.525 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -4.892 2.902 -3.374 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -5.025 1.104 -4.935 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -5.926 2.350 -2.647 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -6.059 0.546 -4.210 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.511 1.170 -3.064 1.00 0.54 C ATOM 0 H PHE A 125 -4.943 2.845 -7.506 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.943 4.919 -5.634 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.840 2.114 -5.926 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.548 3.267 -4.639 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.438 3.824 -3.042 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.676 0.614 -5.832 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.278 2.840 -1.752 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -6.514 -0.377 -4.539 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.320 0.736 -2.495 1.00 0.54 H new ATOM 1999 N LEU A 126 -1.957 5.440 -7.039 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.896 5.865 -7.944 1.00 0.19 C ATOM 2001 C LEU A 126 0.471 5.798 -7.259 1.00 0.20 C ATOM 2002 O LEU A 126 0.805 6.652 -6.432 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.168 7.288 -8.445 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.126 7.853 -9.418 1.00 0.39 C ATOM 2005 CD1 LEU A 126 0.005 6.966 -10.647 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.495 9.272 -9.827 1.00 0.59 C ATOM 0 H LEU A 126 -2.090 6.051 -6.234 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.882 5.184 -8.795 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.142 7.303 -8.934 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.233 7.952 -7.583 1.00 0.32 H new ATOM 0 HG LEU A 126 0.837 7.875 -8.908 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.750 7.387 -11.322 1.00 0.44 H new ATOM 0 HD12 LEU A 126 0.315 5.966 -10.343 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -0.956 6.908 -11.158 1.00 0.44 H new ATOM 0 HD21 LEU A 126 0.255 9.658 -10.518 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.470 9.268 -10.315 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.534 9.907 -8.942 1.00 0.59 H new ATOM 2018 N PRO A 127 1.264 4.762 -7.570 1.00 0.21 N ATOM 2019 CA PRO A 127 2.593 4.578 -7.018 1.00 0.29 C ATOM 2020 C PRO A 127 3.675 5.083 -7.972 1.00 0.25 C ATOM 2021 O PRO A 127 3.393 5.383 -9.135 1.00 0.38 O ATOM 2022 CB PRO A 127 2.660 3.059 -6.878 1.00 0.42 C ATOM 2023 CG PRO A 127 1.831 2.529 -8.013 1.00 0.43 C ATOM 2024 CD PRO A 127 0.929 3.656 -8.479 1.00 0.32 C ATOM 0 HA PRO A 127 2.760 5.125 -6.090 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.688 2.702 -6.939 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.266 2.733 -5.915 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.469 2.186 -8.827 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.240 1.673 -7.689 1.00 0.43 H new ATOM 0 HD2 PRO A 127 1.121 3.919 -9.519 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.124 3.383 -8.408 1.00 0.32 H new ATOM 2032 N LEU A 128 4.905 5.183 -7.487 1.00 0.22 N ATOM 2033 CA LEU A 128 6.008 5.637 -8.327 1.00 0.21 C ATOM 2034 C LEU A 128 6.354 4.557 -9.355 1.00 0.23 C ATOM 2035 O LEU A 128 6.355 3.368 -9.026 1.00 0.26 O ATOM 2036 CB LEU A 128 7.240 5.979 -7.481 1.00 0.23 C ATOM 2037 CG LEU A 128 8.310 6.817 -8.190 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.772 8.200 -8.532 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.559 6.927 -7.328 1.00 0.37 C ATOM 0 H LEU A 128 5.164 4.959 -6.526 1.00 0.22 H new ATOM 0 HA LEU A 128 5.696 6.543 -8.847 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.912 6.517 -6.591 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.696 5.049 -7.141 1.00 0.23 H new ATOM 0 HG LEU A 128 8.576 6.315 -9.120 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.548 8.778 -9.034 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.909 8.102 -9.190 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.474 8.711 -7.617 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.308 7.525 -7.847 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.307 7.404 -6.381 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.959 5.931 -7.138 1.00 0.37 H new ATOM 2051 N PRO A 129 6.645 4.956 -10.612 1.00 0.27 N ATOM 2052 CA PRO A 129 6.984 4.022 -11.692 1.00 0.33 C ATOM 2053 C PRO A 129 7.947 2.923 -11.249 1.00 0.33 C ATOM 2054 O PRO A 129 7.760 1.756 -11.596 1.00 0.67 O ATOM 2055 CB PRO A 129 7.632 4.924 -12.738 1.00 0.45 C ATOM 2056 CG PRO A 129 6.956 6.237 -12.557 1.00 0.47 C ATOM 2057 CD PRO A 129 6.658 6.356 -11.084 1.00 0.30 C ATOM 0 HA PRO A 129 6.109 3.483 -12.054 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.708 5.005 -12.582 1.00 0.45 H new ATOM 0 HB3 PRO A 129 7.484 4.535 -13.746 1.00 0.45 H new ATOM 0 HG2 PRO A 129 7.595 7.054 -12.892 1.00 0.47 H new ATOM 0 HG3 PRO A 129 6.040 6.288 -13.145 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.417 6.945 -10.569 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.701 6.846 -10.908 1.00 0.30 H new ATOM 2065 N VAL A 130 8.975 3.298 -10.486 1.00 0.37 N ATOM 2066 CA VAL A 130 9.954 2.331 -9.993 1.00 0.35 C ATOM 2067 C VAL A 130 9.243 1.155 -9.318 1.00 0.38 C ATOM 2068 O VAL A 130 8.718 1.281 -8.211 1.00 0.57 O ATOM 2069 CB VAL A 130 10.964 2.977 -9.011 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.858 3.969 -9.743 1.00 0.47 C ATOM 2071 CG2 VAL A 130 10.246 3.656 -7.848 1.00 0.44 C ATOM 0 H VAL A 130 9.150 4.261 -10.198 1.00 0.37 H new ATOM 0 HA VAL A 130 10.517 1.969 -10.853 1.00 0.35 H new ATOM 0 HB VAL A 130 11.589 2.184 -8.600 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.561 4.413 -9.039 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.409 3.452 -10.528 1.00 0.47 H new ATOM 0 HG13 VAL A 130 11.244 4.753 -10.187 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.981 4.100 -7.176 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.588 4.435 -8.232 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.656 2.918 -7.304 1.00 0.44 H new ATOM 2081 N SER A 131 9.211 0.022 -10.006 1.00 0.34 N ATOM 2082 CA SER A 131 8.543 -1.168 -9.494 1.00 0.40 C ATOM 2083 C SER A 131 9.242 -2.444 -9.970 1.00 0.39 C ATOM 2084 O SER A 131 10.207 -2.384 -10.741 1.00 0.47 O ATOM 2085 CB SER A 131 7.082 -1.157 -9.948 1.00 0.50 C ATOM 2086 OG SER A 131 6.494 0.122 -9.733 1.00 0.88 O ATOM 0 H SER A 131 9.641 -0.099 -10.923 1.00 0.34 H new ATOM 0 HA SER A 131 8.588 -1.157 -8.405 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.023 -1.416 -11.005 1.00 0.50 H new ATOM 0 HB3 SER A 131 6.521 -1.916 -9.402 1.00 0.50 H new ATOM 0 HG SER A 131 6.827 0.752 -10.405 1.00 0.88 H new ATOM 2092 N SER A 132 8.750 -3.592 -9.509 1.00 0.48 N ATOM 2093 CA SER A 132 9.326 -4.878 -9.879 1.00 0.54 C ATOM 2094 C SER A 132 8.886 -5.284 -11.286 1.00 0.49 C ATOM 2095 O SER A 132 7.844 -4.839 -11.780 1.00 0.96 O ATOM 2096 CB SER A 132 8.923 -5.959 -8.865 1.00 0.76 C ATOM 2097 OG SER A 132 9.791 -7.084 -8.936 1.00 1.03 O ATOM 0 H SER A 132 7.952 -3.655 -8.877 1.00 0.48 H new ATOM 0 HA SER A 132 10.411 -4.779 -9.872 1.00 0.54 H new ATOM 0 HB2 SER A 132 8.946 -5.543 -7.858 1.00 0.76 H new ATOM 0 HB3 SER A 132 7.898 -6.276 -9.056 1.00 0.76 H new ATOM 0 HG SER A 132 9.333 -7.874 -8.580 1.00 1.03 H new ATOM 2103 N ASP A 133 9.687 -6.130 -11.924 1.00 0.56 N ATOM 2104 CA ASP A 133 9.405 -6.608 -13.274 1.00 0.58 C ATOM 2105 C ASP A 133 10.013 -7.992 -13.477 1.00 0.63 C ATOM 2106 O ASP A 133 11.126 -8.230 -12.964 1.00 0.80 O ATOM 2107 CB ASP A 133 9.951 -5.638 -14.329 1.00 0.80 C ATOM 2108 CG ASP A 133 9.987 -6.254 -15.716 1.00 0.92 C ATOM 2109 OD1 ASP A 133 8.922 -6.353 -16.352 1.00 1.06 O ATOM 2110 OD2 ASP A 133 11.085 -6.636 -16.175 1.00 1.07 O ATOM 2111 OXT ASP A 133 9.382 -8.833 -14.144 1.00 0.75 O ATOM 0 H ASP A 133 10.547 -6.503 -11.522 1.00 0.56 H new ATOM 0 HA ASP A 133 8.323 -6.668 -13.393 1.00 0.58 H new ATOM 0 HB2 ASP A 133 9.333 -4.741 -14.349 1.00 0.80 H new ATOM 0 HB3 ASP A 133 10.956 -5.326 -14.046 1.00 0.80 H new