USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 715 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 61 THR OG1 : rot 76:sc= -0.147 USER MOD Set 1.2: A 80 HIS :FLIP no HD1:sc= -3.05! C(o=-4.1!,f=-3.2!) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0.0583 USER MOD Set 2.2: A 32 SER OG : rot 13:sc= 0.0532 USER MOD Set 3.1: A 25 LYS NZ :NH3+ -177:sc= 1.31 (180deg=1.3) USER MOD Set 3.2: A 29 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.015) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 90:sc= 0.376 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 70:sc= 1.33 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 47:sc= 0.289 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 130:sc= 0.314 USER MOD Single : A 21 THR OG1 : rot 170:sc= 0.0225 USER MOD Single : A 22 SER OG : rot 180:sc= -0.442 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -151:sc= -0.719 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.531 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0901) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 126:sc= -1.01 USER MOD Single : A 62 ASN : amide:sc= -1.15 K(o=-1.2,f=-4.6!) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 71 GLN : amide:sc= -0.384 K(o=-0.38,f=-1.3) USER MOD Single : A 75 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 94 HIS : no HD1:sc= -0.031 X(o=-0.031,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.029 -14.310 -13.906 1.00 5.58 N ATOM 2 CA MET A 1 -22.597 -14.396 -12.479 1.00 4.74 C ATOM 3 C MET A 1 -23.787 -14.052 -11.575 1.00 4.18 C ATOM 4 O MET A 1 -24.217 -12.913 -11.511 1.00 4.38 O ATOM 5 CB MET A 1 -21.445 -13.409 -12.232 1.00 4.69 C ATOM 6 CG MET A 1 -20.175 -14.187 -11.873 1.00 4.66 C ATOM 7 SD MET A 1 -18.773 -13.042 -11.765 1.00 4.70 S ATOM 8 CE MET A 1 -17.625 -14.171 -10.929 1.00 4.78 C ATOM 0 H1 MET A 1 -22.227 -14.542 -14.526 1.00 5.58 H new ATOM 0 H2 MET A 1 -23.804 -14.983 -14.075 1.00 5.58 H new ATOM 0 H3 MET A 1 -23.358 -13.345 -14.112 1.00 5.58 H new ATOM 0 HA MET A 1 -22.252 -15.405 -12.255 1.00 4.74 H new ATOM 0 HB2 MET A 1 -21.274 -12.803 -13.122 1.00 4.69 H new ATOM 0 HB3 MET A 1 -21.705 -12.724 -11.425 1.00 4.69 H new ATOM 0 HG2 MET A 1 -20.309 -14.705 -10.923 1.00 4.66 H new ATOM 0 HG3 MET A 1 -19.978 -14.950 -12.626 1.00 4.66 H new ATOM 0 HE1 MET A 1 -16.675 -13.664 -10.759 1.00 4.78 H new ATOM 0 HE2 MET A 1 -18.049 -14.479 -9.973 1.00 4.78 H new ATOM 0 HE3 MET A 1 -17.460 -15.050 -11.552 1.00 4.78 H new ATOM 20 N SER A 2 -24.330 -15.032 -10.888 1.00 3.67 N ATOM 21 CA SER A 2 -25.502 -14.767 -9.997 1.00 3.35 C ATOM 22 C SER A 2 -25.017 -14.507 -8.563 1.00 2.46 C ATOM 23 O SER A 2 -25.075 -15.368 -7.704 1.00 2.51 O ATOM 24 CB SER A 2 -26.472 -15.960 -10.030 1.00 3.62 C ATOM 25 OG SER A 2 -25.754 -17.175 -9.837 1.00 3.33 O ATOM 0 H SER A 2 -24.011 -16.001 -10.907 1.00 3.67 H new ATOM 0 HA SER A 2 -26.031 -13.883 -10.354 1.00 3.35 H new ATOM 0 HB2 SER A 2 -27.228 -15.847 -9.253 1.00 3.62 H new ATOM 0 HB3 SER A 2 -26.998 -15.986 -10.984 1.00 3.62 H new ATOM 0 HG SER A 2 -25.702 -17.376 -8.879 1.00 3.33 H new ATOM 31 N GLY A 3 -24.553 -13.307 -8.309 1.00 2.09 N ATOM 32 CA GLY A 3 -24.071 -12.935 -6.943 1.00 1.64 C ATOM 33 C GLY A 3 -22.892 -13.811 -6.502 1.00 2.13 C ATOM 34 O GLY A 3 -22.952 -14.452 -5.471 1.00 2.04 O ATOM 0 H GLY A 3 -24.487 -12.560 -9.001 1.00 2.09 H new ATOM 0 HA2 GLY A 3 -23.769 -11.888 -6.936 1.00 1.64 H new ATOM 0 HA3 GLY A 3 -24.888 -13.036 -6.228 1.00 1.64 H new ATOM 38 N GLY A 4 -21.816 -13.812 -7.248 1.00 2.87 N ATOM 39 CA GLY A 4 -20.621 -14.616 -6.845 1.00 3.56 C ATOM 40 C GLY A 4 -20.668 -16.021 -7.451 1.00 4.05 C ATOM 41 O GLY A 4 -20.350 -16.212 -8.612 1.00 4.70 O ATOM 0 H GLY A 4 -21.713 -13.291 -8.119 1.00 2.87 H new ATOM 0 HA2 GLY A 4 -19.712 -14.108 -7.168 1.00 3.56 H new ATOM 0 HA3 GLY A 4 -20.577 -14.687 -5.758 1.00 3.56 H new ATOM 45 N THR A 5 -21.025 -17.012 -6.662 1.00 3.92 N ATOM 46 CA THR A 5 -21.047 -18.415 -7.178 1.00 4.61 C ATOM 47 C THR A 5 -22.487 -18.961 -7.261 1.00 4.48 C ATOM 48 O THR A 5 -23.002 -19.163 -8.344 1.00 5.08 O ATOM 49 CB THR A 5 -20.186 -19.295 -6.257 1.00 4.92 C ATOM 50 OG1 THR A 5 -18.821 -18.911 -6.392 1.00 5.25 O ATOM 51 CG2 THR A 5 -20.339 -20.769 -6.644 1.00 5.71 C ATOM 0 H THR A 5 -21.301 -16.906 -5.686 1.00 3.92 H new ATOM 0 HA THR A 5 -20.639 -18.429 -8.189 1.00 4.61 H new ATOM 0 HB THR A 5 -20.511 -19.164 -5.225 1.00 4.92 H new ATOM 0 HG1 THR A 5 -18.265 -19.467 -5.806 1.00 5.25 H new ATOM 0 HG21 THR A 5 -19.725 -21.384 -5.986 1.00 5.71 H new ATOM 0 HG22 THR A 5 -21.384 -21.064 -6.546 1.00 5.71 H new ATOM 0 HG23 THR A 5 -20.017 -20.910 -7.676 1.00 5.71 H new ATOM 59 N ALA A 6 -23.130 -19.224 -6.141 1.00 3.89 N ATOM 60 CA ALA A 6 -24.523 -19.789 -6.181 1.00 4.12 C ATOM 61 C ALA A 6 -25.574 -18.664 -6.041 1.00 3.46 C ATOM 62 O ALA A 6 -25.623 -17.762 -6.856 1.00 2.96 O ATOM 63 CB ALA A 6 -24.676 -20.813 -5.049 1.00 4.46 C ATOM 0 H ALA A 6 -22.752 -19.072 -5.206 1.00 3.89 H new ATOM 0 HA ALA A 6 -24.688 -20.278 -7.141 1.00 4.12 H new ATOM 0 HB1 ALA A 6 -25.683 -21.229 -5.069 1.00 4.46 H new ATOM 0 HB2 ALA A 6 -23.949 -21.614 -5.183 1.00 4.46 H new ATOM 0 HB3 ALA A 6 -24.504 -20.324 -4.090 1.00 4.46 H new ATOM 69 N ALA A 7 -26.424 -18.718 -5.026 1.00 3.71 N ATOM 70 CA ALA A 7 -27.473 -17.662 -4.847 1.00 3.42 C ATOM 71 C ALA A 7 -27.059 -16.704 -3.714 1.00 3.19 C ATOM 72 O ALA A 7 -27.801 -16.484 -2.772 1.00 3.44 O ATOM 73 CB ALA A 7 -28.818 -18.321 -4.499 1.00 4.21 C ATOM 0 H ALA A 7 -26.430 -19.452 -4.318 1.00 3.71 H new ATOM 0 HA ALA A 7 -27.576 -17.099 -5.775 1.00 3.42 H new ATOM 0 HB1 ALA A 7 -29.578 -17.550 -4.370 1.00 4.21 H new ATOM 0 HB2 ALA A 7 -29.114 -18.991 -5.306 1.00 4.21 H new ATOM 0 HB3 ALA A 7 -28.716 -18.889 -3.574 1.00 4.21 H new ATOM 79 N THR A 8 -25.884 -16.120 -3.809 1.00 2.79 N ATOM 80 CA THR A 8 -25.430 -15.162 -2.747 1.00 2.62 C ATOM 81 C THR A 8 -25.641 -13.724 -3.239 1.00 2.23 C ATOM 82 O THR A 8 -26.071 -13.496 -4.357 1.00 2.14 O ATOM 83 CB THR A 8 -23.942 -15.380 -2.405 1.00 2.55 C ATOM 84 OG1 THR A 8 -23.291 -16.092 -3.448 1.00 2.66 O ATOM 85 CG2 THR A 8 -23.830 -16.172 -1.098 1.00 2.86 C ATOM 0 H THR A 8 -25.223 -16.265 -4.572 1.00 2.79 H new ATOM 0 HA THR A 8 -26.017 -15.338 -1.845 1.00 2.62 H new ATOM 0 HB THR A 8 -23.461 -14.408 -2.291 1.00 2.55 H new ATOM 0 HG1 THR A 8 -23.213 -15.517 -4.238 1.00 2.66 H new ATOM 0 HG21 THR A 8 -22.779 -16.327 -0.855 1.00 2.86 H new ATOM 0 HG22 THR A 8 -24.310 -15.616 -0.293 1.00 2.86 H new ATOM 0 HG23 THR A 8 -24.321 -17.138 -1.215 1.00 2.86 H new ATOM 93 N THR A 9 -25.352 -12.756 -2.405 1.00 2.11 N ATOM 94 CA THR A 9 -25.545 -11.328 -2.805 1.00 1.91 C ATOM 95 C THR A 9 -24.585 -10.953 -3.945 1.00 1.39 C ATOM 96 O THR A 9 -23.530 -11.542 -4.110 1.00 1.22 O ATOM 97 CB THR A 9 -25.305 -10.416 -1.593 1.00 2.10 C ATOM 98 OG1 THR A 9 -25.583 -9.068 -1.954 1.00 2.22 O ATOM 99 CG2 THR A 9 -23.851 -10.533 -1.126 1.00 1.86 C ATOM 0 H THR A 9 -24.990 -12.894 -1.462 1.00 2.11 H new ATOM 0 HA THR A 9 -26.568 -11.197 -3.159 1.00 1.91 H new ATOM 0 HB THR A 9 -25.964 -10.721 -0.780 1.00 2.10 H new ATOM 0 HG1 THR A 9 -25.432 -8.485 -1.181 1.00 2.22 H new ATOM 0 HG21 THR A 9 -23.692 -9.882 -0.266 1.00 1.86 H new ATOM 0 HG22 THR A 9 -23.641 -11.565 -0.844 1.00 1.86 H new ATOM 0 HG23 THR A 9 -23.184 -10.235 -1.935 1.00 1.86 H new ATOM 107 N ALA A 10 -24.960 -9.969 -4.730 1.00 1.35 N ATOM 108 CA ALA A 10 -24.101 -9.525 -5.869 1.00 1.09 C ATOM 109 C ALA A 10 -22.901 -8.739 -5.330 1.00 1.07 C ATOM 110 O ALA A 10 -23.025 -7.591 -4.937 1.00 1.56 O ATOM 111 CB ALA A 10 -24.925 -8.642 -6.814 1.00 1.56 C ATOM 0 H ALA A 10 -25.833 -9.452 -4.627 1.00 1.35 H new ATOM 0 HA ALA A 10 -23.739 -10.395 -6.416 1.00 1.09 H new ATOM 0 HB1 ALA A 10 -24.300 -8.317 -7.646 1.00 1.56 H new ATOM 0 HB2 ALA A 10 -25.772 -9.211 -7.197 1.00 1.56 H new ATOM 0 HB3 ALA A 10 -25.289 -7.770 -6.272 1.00 1.56 H new ATOM 117 N GLY A 11 -21.741 -9.358 -5.302 1.00 0.90 N ATOM 118 CA GLY A 11 -20.521 -8.667 -4.781 1.00 1.08 C ATOM 119 C GLY A 11 -19.394 -8.746 -5.816 1.00 0.82 C ATOM 120 O GLY A 11 -18.650 -9.710 -5.858 1.00 1.11 O ATOM 0 H GLY A 11 -21.590 -10.315 -5.619 1.00 0.90 H new ATOM 0 HA2 GLY A 11 -20.750 -7.625 -4.559 1.00 1.08 H new ATOM 0 HA3 GLY A 11 -20.202 -9.129 -3.847 1.00 1.08 H new ATOM 124 N SER A 12 -19.258 -7.735 -6.643 1.00 1.08 N ATOM 125 CA SER A 12 -18.173 -7.738 -7.673 1.00 1.43 C ATOM 126 C SER A 12 -16.882 -7.194 -7.044 1.00 1.29 C ATOM 127 O SER A 12 -16.687 -5.995 -6.932 1.00 1.34 O ATOM 128 CB SER A 12 -18.590 -6.870 -8.870 1.00 2.15 C ATOM 129 OG SER A 12 -19.102 -5.625 -8.407 1.00 2.41 O ATOM 0 H SER A 12 -19.854 -6.907 -6.648 1.00 1.08 H new ATOM 0 HA SER A 12 -18.001 -8.755 -8.025 1.00 1.43 H new ATOM 0 HB2 SER A 12 -17.735 -6.701 -9.524 1.00 2.15 H new ATOM 0 HB3 SER A 12 -19.346 -7.388 -9.461 1.00 2.15 H new ATOM 0 HG SER A 12 -18.499 -5.255 -7.729 1.00 2.41 H new ATOM 135 N LYS A 13 -16.006 -8.077 -6.620 1.00 1.16 N ATOM 136 CA LYS A 13 -14.726 -7.638 -5.979 1.00 1.04 C ATOM 137 C LYS A 13 -13.540 -8.346 -6.651 1.00 0.99 C ATOM 138 O LYS A 13 -13.676 -9.434 -7.183 1.00 1.06 O ATOM 139 CB LYS A 13 -14.755 -7.996 -4.487 1.00 1.00 C ATOM 140 CG LYS A 13 -16.011 -7.407 -3.838 1.00 1.08 C ATOM 141 CD LYS A 13 -15.718 -7.055 -2.378 1.00 1.41 C ATOM 142 CE LYS A 13 -16.989 -6.517 -1.715 1.00 2.18 C ATOM 143 NZ LYS A 13 -16.622 -5.653 -0.557 1.00 2.60 N ATOM 0 H LYS A 13 -16.125 -9.088 -6.692 1.00 1.16 H new ATOM 0 HA LYS A 13 -14.615 -6.560 -6.095 1.00 1.04 H new ATOM 0 HB2 LYS A 13 -14.744 -9.079 -4.363 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -13.864 -7.609 -3.993 1.00 1.00 H new ATOM 0 HG2 LYS A 13 -16.329 -6.517 -4.380 1.00 1.08 H new ATOM 0 HG3 LYS A 13 -16.831 -8.123 -3.892 1.00 1.08 H new ATOM 0 HD2 LYS A 13 -15.363 -7.937 -1.845 1.00 1.41 H new ATOM 0 HD3 LYS A 13 -14.925 -6.310 -2.325 1.00 1.41 H new ATOM 0 HE2 LYS A 13 -17.574 -5.946 -2.436 1.00 2.18 H new ATOM 0 HE3 LYS A 13 -17.615 -7.344 -1.380 1.00 2.18 H new ATOM 0 HZ1 LYS A 13 -17.486 -5.289 -0.108 1.00 2.60 H new ATOM 0 HZ2 LYS A 13 -16.081 -6.211 0.135 1.00 2.60 H new ATOM 0 HZ3 LYS A 13 -16.042 -4.856 -0.889 1.00 2.60 H new ATOM 157 N VAL A 14 -12.379 -7.734 -6.630 1.00 0.93 N ATOM 158 CA VAL A 14 -11.178 -8.364 -7.265 1.00 0.91 C ATOM 159 C VAL A 14 -10.205 -8.849 -6.180 1.00 0.86 C ATOM 160 O VAL A 14 -9.749 -8.084 -5.348 1.00 0.88 O ATOM 161 CB VAL A 14 -10.476 -7.352 -8.184 1.00 0.93 C ATOM 162 CG1 VAL A 14 -11.331 -7.118 -9.432 1.00 0.96 C ATOM 163 CG2 VAL A 14 -10.280 -6.020 -7.454 1.00 0.96 C ATOM 0 H VAL A 14 -12.212 -6.824 -6.200 1.00 0.93 H new ATOM 0 HA VAL A 14 -11.500 -9.218 -7.861 1.00 0.91 H new ATOM 0 HB VAL A 14 -9.503 -7.751 -8.469 1.00 0.93 H new ATOM 0 HG11 VAL A 14 -10.834 -6.400 -10.084 1.00 0.96 H new ATOM 0 HG12 VAL A 14 -11.464 -8.060 -9.964 1.00 0.96 H new ATOM 0 HG13 VAL A 14 -12.305 -6.727 -9.138 1.00 0.96 H new ATOM 0 HG21 VAL A 14 -9.782 -5.312 -8.116 1.00 0.96 H new ATOM 0 HG22 VAL A 14 -11.250 -5.620 -7.160 1.00 0.96 H new ATOM 0 HG23 VAL A 14 -9.668 -6.178 -6.566 1.00 0.96 H new ATOM 173 N THR A 15 -9.888 -10.124 -6.191 1.00 0.87 N ATOM 174 CA THR A 15 -8.944 -10.688 -5.174 1.00 0.84 C ATOM 175 C THR A 15 -7.549 -10.849 -5.803 1.00 0.78 C ATOM 176 O THR A 15 -7.420 -11.091 -6.990 1.00 0.83 O ATOM 177 CB THR A 15 -9.471 -12.048 -4.677 1.00 0.93 C ATOM 178 OG1 THR A 15 -8.656 -12.511 -3.609 1.00 0.94 O ATOM 179 CG2 THR A 15 -9.460 -13.077 -5.814 1.00 1.02 C ATOM 0 H THR A 15 -10.245 -10.801 -6.865 1.00 0.87 H new ATOM 0 HA THR A 15 -8.871 -10.010 -4.324 1.00 0.84 H new ATOM 0 HB THR A 15 -10.496 -11.921 -4.330 1.00 0.93 H new ATOM 0 HG1 THR A 15 -8.992 -13.375 -3.292 1.00 0.94 H new ATOM 0 HG21 THR A 15 -9.835 -14.031 -5.445 1.00 1.02 H new ATOM 0 HG22 THR A 15 -10.096 -12.727 -6.627 1.00 1.02 H new ATOM 0 HG23 THR A 15 -8.441 -13.205 -6.179 1.00 1.02 H new ATOM 187 N PHE A 16 -6.506 -10.703 -5.016 1.00 0.72 N ATOM 188 CA PHE A 16 -5.120 -10.832 -5.565 1.00 0.67 C ATOM 189 C PHE A 16 -4.312 -11.839 -4.735 1.00 0.67 C ATOM 190 O PHE A 16 -4.357 -11.838 -3.517 1.00 0.75 O ATOM 191 CB PHE A 16 -4.428 -9.464 -5.536 1.00 0.62 C ATOM 192 CG PHE A 16 -5.260 -8.456 -6.299 1.00 0.61 C ATOM 193 CD1 PHE A 16 -5.259 -8.462 -7.700 1.00 0.67 C ATOM 194 CD2 PHE A 16 -6.036 -7.516 -5.606 1.00 0.65 C ATOM 195 CE1 PHE A 16 -6.030 -7.531 -8.406 1.00 0.73 C ATOM 196 CE2 PHE A 16 -6.807 -6.586 -6.313 1.00 0.71 C ATOM 197 CZ PHE A 16 -6.803 -6.594 -7.714 1.00 0.73 C ATOM 0 H PHE A 16 -6.557 -10.500 -4.018 1.00 0.72 H new ATOM 0 HA PHE A 16 -5.177 -11.190 -6.593 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -4.295 -9.135 -4.506 1.00 0.62 H new ATOM 0 HB3 PHE A 16 -3.434 -9.539 -5.978 1.00 0.62 H new ATOM 0 HD1 PHE A 16 -4.663 -9.186 -8.236 1.00 0.67 H new ATOM 0 HD2 PHE A 16 -6.039 -7.510 -4.526 1.00 0.65 H new ATOM 0 HE1 PHE A 16 -6.028 -7.537 -9.486 1.00 0.73 H new ATOM 0 HE2 PHE A 16 -7.405 -5.862 -5.779 1.00 0.71 H new ATOM 0 HZ PHE A 16 -7.397 -5.876 -8.260 1.00 0.73 H new ATOM 207 N LYS A 17 -3.578 -12.696 -5.402 1.00 0.70 N ATOM 208 CA LYS A 17 -2.751 -13.729 -4.704 1.00 0.73 C ATOM 209 C LYS A 17 -1.268 -13.360 -4.817 1.00 0.66 C ATOM 210 O LYS A 17 -0.658 -13.544 -5.851 1.00 0.73 O ATOM 211 CB LYS A 17 -2.986 -15.085 -5.378 1.00 0.90 C ATOM 212 CG LYS A 17 -3.482 -16.103 -4.355 1.00 0.89 C ATOM 213 CD LYS A 17 -3.866 -17.390 -5.083 1.00 1.39 C ATOM 214 CE LYS A 17 -4.353 -18.428 -4.072 1.00 1.91 C ATOM 215 NZ LYS A 17 -3.857 -19.781 -4.462 1.00 2.61 N ATOM 0 H LYS A 17 -3.516 -12.723 -6.420 1.00 0.70 H new ATOM 0 HA LYS A 17 -3.032 -13.779 -3.652 1.00 0.73 H new ATOM 0 HB2 LYS A 17 -3.717 -14.979 -6.180 1.00 0.90 H new ATOM 0 HB3 LYS A 17 -2.061 -15.438 -5.834 1.00 0.90 H new ATOM 0 HG2 LYS A 17 -2.706 -16.305 -3.617 1.00 0.89 H new ATOM 0 HG3 LYS A 17 -4.341 -15.706 -3.814 1.00 0.89 H new ATOM 0 HD2 LYS A 17 -4.648 -17.186 -5.815 1.00 1.39 H new ATOM 0 HD3 LYS A 17 -3.008 -17.778 -5.633 1.00 1.39 H new ATOM 0 HE2 LYS A 17 -3.996 -18.173 -3.074 1.00 1.91 H new ATOM 0 HE3 LYS A 17 -5.442 -18.427 -4.031 1.00 1.91 H new ATOM 0 HZ1 LYS A 17 -4.190 -20.485 -3.772 1.00 2.61 H new ATOM 0 HZ2 LYS A 17 -4.218 -20.024 -5.407 1.00 2.61 H new ATOM 0 HZ3 LYS A 17 -2.817 -19.778 -4.479 1.00 2.61 H new ATOM 229 N ILE A 18 -0.682 -12.842 -3.768 1.00 0.59 N ATOM 230 CA ILE A 18 0.761 -12.459 -3.829 1.00 0.57 C ATOM 231 C ILE A 18 1.621 -13.539 -3.156 1.00 0.61 C ATOM 232 O ILE A 18 1.390 -13.914 -2.019 1.00 0.65 O ATOM 233 CB ILE A 18 0.969 -11.113 -3.123 1.00 0.55 C ATOM 234 CG1 ILE A 18 0.039 -10.057 -3.735 1.00 0.52 C ATOM 235 CG2 ILE A 18 2.419 -10.661 -3.304 1.00 0.67 C ATOM 236 CD1 ILE A 18 -1.152 -9.814 -2.805 1.00 0.56 C ATOM 0 H ILE A 18 -1.139 -12.668 -2.873 1.00 0.59 H new ATOM 0 HA ILE A 18 1.061 -12.368 -4.873 1.00 0.57 H new ATOM 0 HB ILE A 18 0.745 -11.228 -2.062 1.00 0.55 H new ATOM 0 HG12 ILE A 18 0.584 -9.127 -3.893 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -0.312 -10.391 -4.711 1.00 0.52 H new ATOM 0 HG21 ILE A 18 2.567 -9.705 -2.803 1.00 0.67 H new ATOM 0 HG22 ILE A 18 3.089 -11.405 -2.872 1.00 0.67 H new ATOM 0 HG23 ILE A 18 2.636 -10.551 -4.367 1.00 0.67 H new ATOM 0 HD11 ILE A 18 -1.809 -9.063 -3.244 1.00 0.56 H new ATOM 0 HD12 ILE A 18 -1.703 -10.744 -2.669 1.00 0.56 H new ATOM 0 HD13 ILE A 18 -0.793 -9.461 -1.838 1.00 0.56 H new ATOM 248 N THR A 19 2.618 -14.031 -3.858 1.00 0.66 N ATOM 249 CA THR A 19 3.521 -15.081 -3.285 1.00 0.73 C ATOM 250 C THR A 19 4.984 -14.626 -3.437 1.00 0.74 C ATOM 251 O THR A 19 5.286 -13.729 -4.203 1.00 0.73 O ATOM 252 CB THR A 19 3.306 -16.414 -4.026 1.00 0.85 C ATOM 253 OG1 THR A 19 4.147 -17.413 -3.462 1.00 0.96 O ATOM 254 CG2 THR A 19 3.637 -16.253 -5.513 1.00 0.90 C ATOM 0 H THR A 19 2.845 -13.747 -4.811 1.00 0.66 H new ATOM 0 HA THR A 19 3.293 -15.224 -2.229 1.00 0.73 H new ATOM 0 HB THR A 19 2.262 -16.710 -3.923 1.00 0.85 H new ATOM 0 HG1 THR A 19 3.615 -18.210 -3.255 1.00 0.96 H new ATOM 0 HG21 THR A 19 3.481 -17.202 -6.025 1.00 0.90 H new ATOM 0 HG22 THR A 19 2.988 -15.494 -5.950 1.00 0.90 H new ATOM 0 HG23 THR A 19 4.678 -15.948 -5.623 1.00 0.90 H new ATOM 262 N LEU A 20 5.889 -15.241 -2.712 1.00 0.85 N ATOM 263 CA LEU A 20 7.332 -14.851 -2.811 1.00 0.94 C ATOM 264 C LEU A 20 7.906 -15.321 -4.157 1.00 1.03 C ATOM 265 O LEU A 20 7.446 -16.291 -4.734 1.00 1.11 O ATOM 266 CB LEU A 20 8.122 -15.492 -1.662 1.00 1.08 C ATOM 267 CG LEU A 20 8.786 -14.396 -0.822 1.00 1.13 C ATOM 268 CD1 LEU A 20 8.718 -14.772 0.661 1.00 1.23 C ATOM 269 CD2 LEU A 20 10.251 -14.244 -1.243 1.00 1.32 C ATOM 0 H LEU A 20 5.690 -15.996 -2.056 1.00 0.85 H new ATOM 0 HA LEU A 20 7.415 -13.766 -2.744 1.00 0.94 H new ATOM 0 HB2 LEU A 20 7.457 -16.090 -1.039 1.00 1.08 H new ATOM 0 HB3 LEU A 20 8.879 -16.168 -2.060 1.00 1.08 H new ATOM 0 HG LEU A 20 8.262 -13.453 -0.981 1.00 1.13 H new ATOM 0 HD11 LEU A 20 9.191 -13.991 1.256 1.00 1.23 H new ATOM 0 HD12 LEU A 20 7.676 -14.877 0.962 1.00 1.23 H new ATOM 0 HD13 LEU A 20 9.239 -15.716 0.821 1.00 1.23 H new ATOM 0 HD21 LEU A 20 10.722 -13.464 -0.645 1.00 1.32 H new ATOM 0 HD22 LEU A 20 10.774 -15.187 -1.087 1.00 1.32 H new ATOM 0 HD23 LEU A 20 10.300 -13.972 -2.297 1.00 1.32 H new ATOM 281 N THR A 21 8.905 -14.634 -4.657 1.00 1.11 N ATOM 282 CA THR A 21 9.519 -15.023 -5.967 1.00 1.23 C ATOM 283 C THR A 21 10.588 -16.101 -5.743 1.00 1.47 C ATOM 284 O THR A 21 10.680 -17.054 -6.496 1.00 1.62 O ATOM 285 CB THR A 21 10.163 -13.796 -6.631 1.00 1.22 C ATOM 286 OG1 THR A 21 10.904 -13.057 -5.667 1.00 1.33 O ATOM 287 CG2 THR A 21 9.072 -12.906 -7.230 1.00 1.04 C ATOM 0 H THR A 21 9.324 -13.817 -4.212 1.00 1.11 H new ATOM 0 HA THR A 21 8.738 -15.417 -6.618 1.00 1.23 H new ATOM 0 HB THR A 21 10.836 -14.129 -7.421 1.00 1.22 H new ATOM 0 HG1 THR A 21 11.440 -12.373 -6.120 1.00 1.33 H new ATOM 0 HG21 THR A 21 9.530 -12.036 -7.701 1.00 1.04 H new ATOM 0 HG22 THR A 21 8.512 -13.469 -7.976 1.00 1.04 H new ATOM 0 HG23 THR A 21 8.396 -12.578 -6.440 1.00 1.04 H new ATOM 295 N SER A 22 11.396 -15.956 -4.717 1.00 1.57 N ATOM 296 CA SER A 22 12.466 -16.967 -4.440 1.00 1.82 C ATOM 297 C SER A 22 11.833 -18.289 -3.987 1.00 1.81 C ATOM 298 O SER A 22 12.190 -19.349 -4.466 1.00 2.01 O ATOM 299 CB SER A 22 13.401 -16.447 -3.341 1.00 1.92 C ATOM 300 OG SER A 22 12.642 -16.112 -2.184 1.00 1.77 O ATOM 0 H SER A 22 11.359 -15.178 -4.058 1.00 1.57 H new ATOM 0 HA SER A 22 13.037 -17.135 -5.353 1.00 1.82 H new ATOM 0 HB2 SER A 22 14.144 -17.205 -3.093 1.00 1.92 H new ATOM 0 HB3 SER A 22 13.945 -15.572 -3.697 1.00 1.92 H new ATOM 0 HG SER A 22 13.242 -15.782 -1.483 1.00 1.77 H new ATOM 306 N ASP A 23 10.899 -18.228 -3.068 1.00 1.64 N ATOM 307 CA ASP A 23 10.237 -19.472 -2.569 1.00 1.65 C ATOM 308 C ASP A 23 8.734 -19.427 -2.882 1.00 1.48 C ATOM 309 O ASP A 23 8.170 -18.361 -3.055 1.00 1.31 O ATOM 310 CB ASP A 23 10.443 -19.587 -1.051 1.00 1.60 C ATOM 311 CG ASP A 23 9.829 -18.371 -0.342 1.00 1.39 C ATOM 312 OD1 ASP A 23 10.537 -17.392 -0.166 1.00 1.47 O ATOM 313 OD2 ASP A 23 8.662 -18.442 0.014 1.00 1.24 O ATOM 0 H ASP A 23 10.566 -17.364 -2.641 1.00 1.64 H new ATOM 0 HA ASP A 23 10.679 -20.337 -3.064 1.00 1.65 H new ATOM 0 HB2 ASP A 23 9.983 -20.504 -0.682 1.00 1.60 H new ATOM 0 HB3 ASP A 23 11.507 -19.651 -0.824 1.00 1.60 H new ATOM 318 N PRO A 24 8.127 -20.591 -2.930 1.00 1.59 N ATOM 319 CA PRO A 24 6.682 -20.725 -3.203 1.00 1.57 C ATOM 320 C PRO A 24 5.872 -20.343 -1.957 1.00 1.32 C ATOM 321 O PRO A 24 4.838 -19.710 -2.057 1.00 1.32 O ATOM 322 CB PRO A 24 6.515 -22.209 -3.548 1.00 1.86 C ATOM 323 CG PRO A 24 7.725 -22.942 -2.923 1.00 1.93 C ATOM 324 CD PRO A 24 8.821 -21.881 -2.710 1.00 1.82 C ATOM 0 HA PRO A 24 6.328 -20.074 -4.002 1.00 1.57 H new ATOM 0 HB2 PRO A 24 5.578 -22.597 -3.149 1.00 1.86 H new ATOM 0 HB3 PRO A 24 6.487 -22.356 -4.628 1.00 1.86 H new ATOM 0 HG2 PRO A 24 7.449 -23.409 -1.978 1.00 1.93 H new ATOM 0 HG3 PRO A 24 8.078 -23.737 -3.580 1.00 1.93 H new ATOM 0 HD2 PRO A 24 9.243 -21.940 -1.707 1.00 1.82 H new ATOM 0 HD3 PRO A 24 9.645 -22.014 -3.411 1.00 1.82 H new ATOM 332 N LYS A 25 6.351 -20.715 -0.784 1.00 1.19 N ATOM 333 CA LYS A 25 5.643 -20.381 0.493 1.00 1.05 C ATOM 334 C LYS A 25 4.312 -21.139 0.582 1.00 1.17 C ATOM 335 O LYS A 25 3.470 -21.049 -0.295 1.00 1.30 O ATOM 336 CB LYS A 25 5.386 -18.870 0.569 1.00 0.98 C ATOM 337 CG LYS A 25 5.860 -18.340 1.926 1.00 1.07 C ATOM 338 CD LYS A 25 4.887 -17.268 2.435 1.00 1.12 C ATOM 339 CE LYS A 25 5.213 -15.926 1.767 1.00 1.27 C ATOM 340 NZ LYS A 25 4.032 -15.445 0.989 1.00 1.69 N ATOM 0 H LYS A 25 7.215 -21.243 -0.662 1.00 1.19 H new ATOM 0 HA LYS A 25 6.274 -20.681 1.329 1.00 1.05 H new ATOM 0 HB2 LYS A 25 5.913 -18.360 -0.237 1.00 0.98 H new ATOM 0 HB3 LYS A 25 4.324 -18.664 0.437 1.00 0.98 H new ATOM 0 HG2 LYS A 25 5.923 -19.158 2.644 1.00 1.07 H new ATOM 0 HG3 LYS A 25 6.862 -17.920 1.833 1.00 1.07 H new ATOM 0 HD2 LYS A 25 3.860 -17.558 2.212 1.00 1.12 H new ATOM 0 HD3 LYS A 25 4.964 -17.176 3.518 1.00 1.12 H new ATOM 0 HE2 LYS A 25 5.485 -15.190 2.523 1.00 1.27 H new ATOM 0 HE3 LYS A 25 6.073 -16.038 1.107 1.00 1.27 H new ATOM 0 HZ1 LYS A 25 4.276 -14.561 0.498 1.00 1.69 H new ATOM 0 HZ2 LYS A 25 3.760 -16.166 0.290 1.00 1.69 H new ATOM 0 HZ3 LYS A 25 3.237 -15.273 1.636 1.00 1.69 H new ATOM 354 N LEU A 26 4.121 -21.882 1.647 1.00 1.25 N ATOM 355 CA LEU A 26 2.850 -22.652 1.821 1.00 1.46 C ATOM 356 C LEU A 26 1.653 -21.683 1.880 1.00 1.49 C ATOM 357 O LEU A 26 0.724 -21.823 1.106 1.00 1.64 O ATOM 358 CB LEU A 26 2.917 -23.480 3.114 1.00 1.58 C ATOM 359 CG LEU A 26 3.011 -24.974 2.782 1.00 1.76 C ATOM 360 CD1 LEU A 26 1.756 -25.414 2.022 1.00 1.99 C ATOM 361 CD2 LEU A 26 4.250 -25.236 1.919 1.00 1.74 C ATOM 0 H LEU A 26 4.795 -21.988 2.406 1.00 1.25 H new ATOM 0 HA LEU A 26 2.721 -23.324 0.973 1.00 1.46 H new ATOM 0 HB2 LEU A 26 3.781 -23.176 3.705 1.00 1.58 H new ATOM 0 HB3 LEU A 26 2.033 -23.290 3.722 1.00 1.58 H new ATOM 0 HG LEU A 26 3.090 -25.542 3.709 1.00 1.76 H new ATOM 0 HD11 LEU A 26 1.826 -26.476 1.788 1.00 1.99 H new ATOM 0 HD12 LEU A 26 0.876 -25.236 2.640 1.00 1.99 H new ATOM 0 HD13 LEU A 26 1.672 -24.843 1.097 1.00 1.99 H new ATOM 0 HD21 LEU A 26 4.313 -26.299 1.686 1.00 1.74 H new ATOM 0 HD22 LEU A 26 4.176 -24.665 0.993 1.00 1.74 H new ATOM 0 HD23 LEU A 26 5.144 -24.931 2.463 1.00 1.74 H new ATOM 373 N PRO A 27 1.707 -20.728 2.792 1.00 1.41 N ATOM 374 CA PRO A 27 0.632 -19.728 2.955 1.00 1.46 C ATOM 375 C PRO A 27 0.739 -18.640 1.875 1.00 1.29 C ATOM 376 O PRO A 27 1.799 -18.086 1.642 1.00 1.52 O ATOM 377 CB PRO A 27 0.889 -19.145 4.349 1.00 1.49 C ATOM 378 CG PRO A 27 2.380 -19.410 4.666 1.00 1.36 C ATOM 379 CD PRO A 27 2.833 -20.553 3.738 1.00 1.31 C ATOM 0 HA PRO A 27 -0.366 -20.154 2.855 1.00 1.46 H new ATOM 0 HB2 PRO A 27 0.672 -18.077 4.369 1.00 1.49 H new ATOM 0 HB3 PRO A 27 0.245 -19.616 5.092 1.00 1.49 H new ATOM 0 HG2 PRO A 27 2.977 -18.514 4.496 1.00 1.36 H new ATOM 0 HG3 PRO A 27 2.510 -19.686 5.712 1.00 1.36 H new ATOM 0 HD2 PRO A 27 3.755 -20.299 3.215 1.00 1.31 H new ATOM 0 HD3 PRO A 27 3.026 -21.467 4.299 1.00 1.31 H new ATOM 387 N PHE A 28 -0.355 -18.334 1.218 1.00 1.04 N ATOM 388 CA PHE A 28 -0.333 -17.283 0.150 1.00 0.91 C ATOM 389 C PHE A 28 -1.024 -16.014 0.659 1.00 0.81 C ATOM 390 O PHE A 28 -1.943 -16.073 1.459 1.00 0.93 O ATOM 391 CB PHE A 28 -1.073 -17.796 -1.090 1.00 1.07 C ATOM 392 CG PHE A 28 -0.236 -18.840 -1.787 1.00 1.11 C ATOM 393 CD1 PHE A 28 0.696 -18.455 -2.759 1.00 1.21 C ATOM 394 CD2 PHE A 28 -0.391 -20.193 -1.464 1.00 1.29 C ATOM 395 CE1 PHE A 28 1.472 -19.423 -3.406 1.00 1.32 C ATOM 396 CE2 PHE A 28 0.385 -21.160 -2.112 1.00 1.36 C ATOM 397 CZ PHE A 28 1.317 -20.775 -3.083 1.00 1.31 C ATOM 0 H PHE A 28 -1.265 -18.768 1.376 1.00 1.04 H new ATOM 0 HA PHE A 28 0.702 -17.056 -0.107 1.00 0.91 H new ATOM 0 HB2 PHE A 28 -2.035 -18.220 -0.802 1.00 1.07 H new ATOM 0 HB3 PHE A 28 -1.280 -16.969 -1.769 1.00 1.07 H new ATOM 0 HD1 PHE A 28 0.816 -17.411 -3.009 1.00 1.21 H new ATOM 0 HD2 PHE A 28 -1.110 -20.490 -0.715 1.00 1.29 H new ATOM 0 HE1 PHE A 28 2.191 -19.126 -4.155 1.00 1.32 H new ATOM 0 HE2 PHE A 28 0.265 -22.204 -1.863 1.00 1.36 H new ATOM 0 HZ PHE A 28 1.916 -21.522 -3.583 1.00 1.31 H new ATOM 407 N LYS A 29 -0.590 -14.867 0.194 1.00 0.67 N ATOM 408 CA LYS A 29 -1.217 -13.584 0.636 1.00 0.62 C ATOM 409 C LYS A 29 -2.422 -13.278 -0.263 1.00 0.63 C ATOM 410 O LYS A 29 -2.277 -12.787 -1.369 1.00 0.63 O ATOM 411 CB LYS A 29 -0.192 -12.445 0.539 1.00 0.56 C ATOM 412 CG LYS A 29 0.435 -12.199 1.915 1.00 0.66 C ATOM 413 CD LYS A 29 1.490 -13.269 2.197 1.00 0.79 C ATOM 414 CE LYS A 29 2.105 -13.035 3.579 1.00 0.95 C ATOM 415 NZ LYS A 29 2.901 -14.228 3.993 1.00 0.89 N ATOM 0 H LYS A 29 0.174 -14.765 -0.474 1.00 0.67 H new ATOM 0 HA LYS A 29 -1.547 -13.675 1.671 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.583 -12.700 -0.184 1.00 0.56 H new ATOM 0 HB3 LYS A 29 -0.676 -11.536 0.181 1.00 0.56 H new ATOM 0 HG2 LYS A 29 0.889 -11.209 1.947 1.00 0.66 H new ATOM 0 HG3 LYS A 29 -0.335 -12.221 2.686 1.00 0.66 H new ATOM 0 HD2 LYS A 29 1.038 -14.260 2.152 1.00 0.79 H new ATOM 0 HD3 LYS A 29 2.267 -13.238 1.433 1.00 0.79 H new ATOM 0 HE2 LYS A 29 2.743 -12.152 3.557 1.00 0.95 H new ATOM 0 HE3 LYS A 29 1.318 -12.842 4.308 1.00 0.95 H new ATOM 0 HZ1 LYS A 29 3.043 -14.210 5.023 1.00 0.89 H new ATOM 0 HZ2 LYS A 29 2.391 -15.095 3.729 1.00 0.89 H new ATOM 0 HZ3 LYS A 29 3.825 -14.211 3.516 1.00 0.89 H new ATOM 429 N VAL A 30 -3.611 -13.575 0.207 1.00 0.73 N ATOM 430 CA VAL A 30 -4.838 -13.314 -0.608 1.00 0.78 C ATOM 431 C VAL A 30 -5.484 -12.004 -0.144 1.00 0.76 C ATOM 432 O VAL A 30 -5.871 -11.865 1.005 1.00 0.90 O ATOM 433 CB VAL A 30 -5.829 -14.474 -0.436 1.00 0.97 C ATOM 434 CG1 VAL A 30 -7.032 -14.269 -1.362 1.00 1.07 C ATOM 435 CG2 VAL A 30 -5.139 -15.796 -0.791 1.00 1.06 C ATOM 0 H VAL A 30 -3.783 -13.988 1.123 1.00 0.73 H new ATOM 0 HA VAL A 30 -4.567 -13.231 -1.661 1.00 0.78 H new ATOM 0 HB VAL A 30 -6.168 -14.503 0.600 1.00 0.97 H new ATOM 0 HG11 VAL A 30 -7.733 -15.095 -1.237 1.00 1.07 H new ATOM 0 HG12 VAL A 30 -7.528 -13.331 -1.112 1.00 1.07 H new ATOM 0 HG13 VAL A 30 -6.693 -14.235 -2.397 1.00 1.07 H new ATOM 0 HG21 VAL A 30 -5.844 -16.619 -0.668 1.00 1.06 H new ATOM 0 HG22 VAL A 30 -4.797 -15.762 -1.826 1.00 1.06 H new ATOM 0 HG23 VAL A 30 -4.285 -15.949 -0.132 1.00 1.06 H new ATOM 445 N LEU A 31 -5.598 -11.042 -1.031 1.00 0.67 N ATOM 446 CA LEU A 31 -6.214 -9.733 -0.660 1.00 0.69 C ATOM 447 C LEU A 31 -7.523 -9.546 -1.432 1.00 0.73 C ATOM 448 O LEU A 31 -7.522 -9.338 -2.634 1.00 0.75 O ATOM 449 CB LEU A 31 -5.241 -8.598 -1.002 1.00 0.62 C ATOM 450 CG LEU A 31 -4.507 -8.152 0.266 1.00 0.81 C ATOM 451 CD1 LEU A 31 -3.009 -8.022 -0.026 1.00 0.79 C ATOM 452 CD2 LEU A 31 -5.059 -6.799 0.724 1.00 1.23 C ATOM 0 H LEU A 31 -5.288 -11.111 -2.000 1.00 0.67 H new ATOM 0 HA LEU A 31 -6.424 -9.717 0.409 1.00 0.69 H new ATOM 0 HB2 LEU A 31 -4.524 -8.934 -1.751 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -5.784 -7.758 -1.435 1.00 0.62 H new ATOM 0 HG LEU A 31 -4.658 -8.892 1.052 1.00 0.81 H new ATOM 0 HD11 LEU A 31 -2.488 -7.705 0.877 1.00 0.79 H new ATOM 0 HD12 LEU A 31 -2.617 -8.986 -0.351 1.00 0.79 H new ATOM 0 HD13 LEU A 31 -2.854 -7.283 -0.812 1.00 0.79 H new ATOM 0 HD21 LEU A 31 -4.538 -6.480 1.627 1.00 1.23 H new ATOM 0 HD22 LEU A 31 -4.909 -6.060 -0.063 1.00 1.23 H new ATOM 0 HD23 LEU A 31 -6.124 -6.893 0.934 1.00 1.23 H new ATOM 464 N SER A 32 -8.640 -9.615 -0.746 1.00 0.77 N ATOM 465 CA SER A 32 -9.963 -9.442 -1.423 1.00 0.84 C ATOM 466 C SER A 32 -10.450 -8.003 -1.222 1.00 0.85 C ATOM 467 O SER A 32 -10.808 -7.606 -0.127 1.00 0.91 O ATOM 468 CB SER A 32 -10.981 -10.419 -0.827 1.00 0.94 C ATOM 469 OG SER A 32 -10.925 -11.648 -1.539 1.00 1.15 O ATOM 0 H SER A 32 -8.691 -9.785 0.259 1.00 0.77 H new ATOM 0 HA SER A 32 -9.855 -9.645 -2.488 1.00 0.84 H new ATOM 0 HB2 SER A 32 -10.766 -10.587 0.228 1.00 0.94 H new ATOM 0 HB3 SER A 32 -11.984 -9.997 -0.885 1.00 0.94 H new ATOM 0 HG SER A 32 -10.120 -11.666 -2.097 1.00 1.15 H new ATOM 475 N VAL A 33 -10.462 -7.225 -2.277 1.00 0.84 N ATOM 476 CA VAL A 33 -10.923 -5.805 -2.173 1.00 0.87 C ATOM 477 C VAL A 33 -11.805 -5.459 -3.382 1.00 0.91 C ATOM 478 O VAL A 33 -11.738 -6.118 -4.404 1.00 0.91 O ATOM 479 CB VAL A 33 -9.708 -4.861 -2.144 1.00 0.86 C ATOM 480 CG1 VAL A 33 -8.948 -5.037 -0.827 1.00 0.94 C ATOM 481 CG2 VAL A 33 -8.772 -5.177 -3.317 1.00 0.86 C ATOM 0 H VAL A 33 -10.171 -7.514 -3.211 1.00 0.84 H new ATOM 0 HA VAL A 33 -11.497 -5.684 -1.254 1.00 0.87 H new ATOM 0 HB VAL A 33 -10.057 -3.832 -2.228 1.00 0.86 H new ATOM 0 HG11 VAL A 33 -8.089 -4.367 -0.811 1.00 0.94 H new ATOM 0 HG12 VAL A 33 -9.608 -4.802 0.008 1.00 0.94 H new ATOM 0 HG13 VAL A 33 -8.606 -6.068 -0.739 1.00 0.94 H new ATOM 0 HG21 VAL A 33 -7.915 -4.505 -3.290 1.00 0.86 H new ATOM 0 HG22 VAL A 33 -8.427 -6.208 -3.240 1.00 0.86 H new ATOM 0 HG23 VAL A 33 -9.308 -5.043 -4.257 1.00 0.86 H new ATOM 491 N PRO A 34 -12.602 -4.426 -3.231 1.00 0.95 N ATOM 492 CA PRO A 34 -13.507 -3.955 -4.299 1.00 1.00 C ATOM 493 C PRO A 34 -12.715 -3.213 -5.385 1.00 0.94 C ATOM 494 O PRO A 34 -11.591 -2.790 -5.170 1.00 0.88 O ATOM 495 CB PRO A 34 -14.470 -3.013 -3.568 1.00 1.08 C ATOM 496 CG PRO A 34 -13.744 -2.562 -2.280 1.00 1.06 C ATOM 497 CD PRO A 34 -12.672 -3.627 -1.987 1.00 0.97 C ATOM 0 HA PRO A 34 -14.027 -4.765 -4.811 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -14.723 -2.156 -4.192 1.00 1.08 H new ATOM 0 HB3 PRO A 34 -15.404 -3.521 -3.330 1.00 1.08 H new ATOM 0 HG2 PRO A 34 -13.289 -1.581 -2.414 1.00 1.06 H new ATOM 0 HG3 PRO A 34 -14.444 -2.478 -1.449 1.00 1.06 H new ATOM 0 HD2 PRO A 34 -11.711 -3.170 -1.753 1.00 0.97 H new ATOM 0 HD3 PRO A 34 -12.948 -4.245 -1.132 1.00 0.97 H new ATOM 505 N GLU A 35 -13.298 -3.058 -6.551 1.00 0.98 N ATOM 506 CA GLU A 35 -12.596 -2.348 -7.668 1.00 0.96 C ATOM 507 C GLU A 35 -12.261 -0.909 -7.247 1.00 0.96 C ATOM 508 O GLU A 35 -11.283 -0.340 -7.699 1.00 0.95 O ATOM 509 CB GLU A 35 -13.499 -2.325 -8.906 1.00 1.03 C ATOM 510 CG GLU A 35 -13.375 -3.656 -9.658 1.00 1.02 C ATOM 511 CD GLU A 35 -14.413 -4.652 -9.127 1.00 1.08 C ATOM 512 OE1 GLU A 35 -15.545 -4.602 -9.581 1.00 1.24 O ATOM 513 OE2 GLU A 35 -14.057 -5.451 -8.275 1.00 1.09 O ATOM 0 H GLU A 35 -14.234 -3.394 -6.777 1.00 0.98 H new ATOM 0 HA GLU A 35 -11.671 -2.875 -7.901 1.00 0.96 H new ATOM 0 HB2 GLU A 35 -14.535 -2.158 -8.610 1.00 1.03 H new ATOM 0 HB3 GLU A 35 -13.217 -1.499 -9.559 1.00 1.03 H new ATOM 0 HG2 GLU A 35 -13.524 -3.496 -10.726 1.00 1.02 H new ATOM 0 HG3 GLU A 35 -12.371 -4.062 -9.534 1.00 1.02 H new ATOM 520 N SER A 36 -13.062 -0.322 -6.381 1.00 1.01 N ATOM 521 CA SER A 36 -12.796 1.077 -5.916 1.00 1.05 C ATOM 522 C SER A 36 -11.432 1.144 -5.210 1.00 0.98 C ATOM 523 O SER A 36 -10.701 2.107 -5.356 1.00 1.00 O ATOM 524 CB SER A 36 -13.898 1.517 -4.945 1.00 1.15 C ATOM 525 OG SER A 36 -14.016 0.566 -3.891 1.00 1.19 O ATOM 0 H SER A 36 -13.891 -0.757 -5.977 1.00 1.01 H new ATOM 0 HA SER A 36 -12.786 1.743 -6.779 1.00 1.05 H new ATOM 0 HB2 SER A 36 -13.665 2.500 -4.536 1.00 1.15 H new ATOM 0 HB3 SER A 36 -14.847 1.608 -5.474 1.00 1.15 H new ATOM 0 HG SER A 36 -14.720 0.850 -3.271 1.00 1.19 H new ATOM 531 N THR A 37 -11.086 0.124 -4.450 1.00 0.92 N ATOM 532 CA THR A 37 -9.770 0.118 -3.736 1.00 0.86 C ATOM 533 C THR A 37 -8.633 0.102 -4.771 1.00 0.78 C ATOM 534 O THR A 37 -8.595 -0.761 -5.628 1.00 0.75 O ATOM 535 CB THR A 37 -9.672 -1.130 -2.844 1.00 0.85 C ATOM 536 OG1 THR A 37 -10.724 -1.113 -1.884 1.00 0.97 O ATOM 537 CG2 THR A 37 -8.320 -1.153 -2.120 1.00 0.83 C ATOM 0 H THR A 37 -11.662 -0.703 -4.296 1.00 0.92 H new ATOM 0 HA THR A 37 -9.687 1.010 -3.115 1.00 0.86 H new ATOM 0 HB THR A 37 -9.759 -2.020 -3.467 1.00 0.85 H new ATOM 0 HG1 THR A 37 -10.437 -1.586 -1.075 1.00 0.97 H new ATOM 0 HG21 THR A 37 -8.260 -2.041 -1.490 1.00 0.83 H new ATOM 0 HG22 THR A 37 -7.514 -1.173 -2.854 1.00 0.83 H new ATOM 0 HG23 THR A 37 -8.224 -0.261 -1.500 1.00 0.83 H new ATOM 545 N PRO A 38 -7.744 1.066 -4.663 1.00 0.78 N ATOM 546 CA PRO A 38 -6.595 1.200 -5.582 1.00 0.73 C ATOM 547 C PRO A 38 -5.476 0.210 -5.222 1.00 0.65 C ATOM 548 O PRO A 38 -5.429 -0.328 -4.124 1.00 0.65 O ATOM 549 CB PRO A 38 -6.130 2.643 -5.365 1.00 0.81 C ATOM 550 CG PRO A 38 -6.646 3.065 -3.969 1.00 0.88 C ATOM 551 CD PRO A 38 -7.803 2.111 -3.619 1.00 0.87 C ATOM 0 HA PRO A 38 -6.859 0.985 -6.618 1.00 0.73 H new ATOM 0 HB2 PRO A 38 -5.043 2.712 -5.414 1.00 0.81 H new ATOM 0 HB3 PRO A 38 -6.526 3.299 -6.140 1.00 0.81 H new ATOM 0 HG2 PRO A 38 -5.851 2.999 -3.226 1.00 0.88 H new ATOM 0 HG3 PRO A 38 -6.987 4.100 -3.979 1.00 0.88 H new ATOM 0 HD2 PRO A 38 -7.680 1.686 -2.623 1.00 0.87 H new ATOM 0 HD3 PRO A 38 -8.762 2.629 -3.628 1.00 0.87 H new ATOM 559 N PHE A 39 -4.564 -0.021 -6.141 1.00 0.60 N ATOM 560 CA PHE A 39 -3.434 -0.961 -5.866 1.00 0.53 C ATOM 561 C PHE A 39 -2.527 -0.375 -4.773 1.00 0.53 C ATOM 562 O PHE A 39 -1.747 -1.085 -4.173 1.00 0.51 O ATOM 563 CB PHE A 39 -2.621 -1.196 -7.144 1.00 0.48 C ATOM 564 CG PHE A 39 -1.978 -2.564 -7.086 1.00 0.43 C ATOM 565 CD1 PHE A 39 -2.778 -3.715 -7.066 1.00 0.49 C ATOM 566 CD2 PHE A 39 -0.583 -2.682 -7.049 1.00 0.44 C ATOM 567 CE1 PHE A 39 -2.182 -4.981 -7.010 1.00 0.49 C ATOM 568 CE2 PHE A 39 0.012 -3.949 -6.993 1.00 0.45 C ATOM 569 CZ PHE A 39 -0.788 -5.098 -6.974 1.00 0.45 C ATOM 0 H PHE A 39 -4.556 0.403 -7.069 1.00 0.60 H new ATOM 0 HA PHE A 39 -3.840 -1.914 -5.525 1.00 0.53 H new ATOM 0 HB2 PHE A 39 -3.268 -1.123 -8.018 1.00 0.48 H new ATOM 0 HB3 PHE A 39 -1.856 -0.427 -7.248 1.00 0.48 H new ATOM 0 HD1 PHE A 39 -3.854 -3.625 -7.094 1.00 0.49 H new ATOM 0 HD2 PHE A 39 0.034 -1.796 -7.064 1.00 0.44 H new ATOM 0 HE1 PHE A 39 -2.799 -5.868 -6.995 1.00 0.49 H new ATOM 0 HE2 PHE A 39 1.088 -4.040 -6.964 1.00 0.45 H new ATOM 0 HZ PHE A 39 -0.329 -6.075 -6.932 1.00 0.45 H new ATOM 579 N THR A 40 -2.638 0.910 -4.494 1.00 0.59 N ATOM 580 CA THR A 40 -1.798 1.528 -3.421 1.00 0.62 C ATOM 581 C THR A 40 -2.108 0.829 -2.093 1.00 0.62 C ATOM 582 O THR A 40 -1.215 0.467 -1.351 1.00 0.61 O ATOM 583 CB THR A 40 -2.120 3.026 -3.294 1.00 0.71 C ATOM 584 OG1 THR A 40 -3.529 3.213 -3.231 1.00 0.78 O ATOM 585 CG2 THR A 40 -1.559 3.777 -4.502 1.00 0.77 C ATOM 0 H THR A 40 -3.275 1.552 -4.966 1.00 0.59 H new ATOM 0 HA THR A 40 -0.744 1.414 -3.672 1.00 0.62 H new ATOM 0 HB THR A 40 -1.664 3.413 -2.383 1.00 0.71 H new ATOM 0 HG1 THR A 40 -3.729 4.169 -3.148 1.00 0.78 H new ATOM 0 HG21 THR A 40 -1.789 4.838 -4.409 1.00 0.77 H new ATOM 0 HG22 THR A 40 -0.478 3.642 -4.545 1.00 0.77 H new ATOM 0 HG23 THR A 40 -2.010 3.387 -5.415 1.00 0.77 H new ATOM 593 N ALA A 41 -3.377 0.626 -1.804 1.00 0.66 N ATOM 594 CA ALA A 41 -3.773 -0.062 -0.539 1.00 0.68 C ATOM 595 C ALA A 41 -3.539 -1.572 -0.681 1.00 0.61 C ATOM 596 O ALA A 41 -3.125 -2.226 0.258 1.00 0.63 O ATOM 597 CB ALA A 41 -5.254 0.202 -0.256 1.00 0.79 C ATOM 0 H ALA A 41 -4.156 0.911 -2.398 1.00 0.66 H new ATOM 0 HA ALA A 41 -3.172 0.321 0.286 1.00 0.68 H new ATOM 0 HB1 ALA A 41 -5.543 -0.300 0.667 1.00 0.79 H new ATOM 0 HB2 ALA A 41 -5.419 1.274 -0.153 1.00 0.79 H new ATOM 0 HB3 ALA A 41 -5.856 -0.180 -1.081 1.00 0.79 H new ATOM 603 N VAL A 42 -3.795 -2.126 -1.849 1.00 0.57 N ATOM 604 CA VAL A 42 -3.580 -3.597 -2.056 1.00 0.53 C ATOM 605 C VAL A 42 -2.094 -3.928 -1.846 1.00 0.46 C ATOM 606 O VAL A 42 -1.752 -4.822 -1.093 1.00 0.47 O ATOM 607 CB VAL A 42 -3.999 -3.989 -3.481 1.00 0.53 C ATOM 608 CG1 VAL A 42 -3.758 -5.487 -3.702 1.00 0.55 C ATOM 609 CG2 VAL A 42 -5.488 -3.685 -3.682 1.00 0.63 C ATOM 0 H VAL A 42 -4.143 -1.622 -2.665 1.00 0.57 H new ATOM 0 HA VAL A 42 -4.184 -4.155 -1.340 1.00 0.53 H new ATOM 0 HB VAL A 42 -3.407 -3.416 -4.195 1.00 0.53 H new ATOM 0 HG11 VAL A 42 -4.057 -5.758 -4.714 1.00 0.55 H new ATOM 0 HG12 VAL A 42 -2.700 -5.709 -3.565 1.00 0.55 H new ATOM 0 HG13 VAL A 42 -4.345 -6.060 -2.984 1.00 0.55 H new ATOM 0 HG21 VAL A 42 -5.783 -3.964 -4.694 1.00 0.63 H new ATOM 0 HG22 VAL A 42 -6.076 -4.255 -2.962 1.00 0.63 H new ATOM 0 HG23 VAL A 42 -5.665 -2.620 -3.533 1.00 0.63 H new ATOM 619 N LEU A 43 -1.216 -3.203 -2.503 1.00 0.44 N ATOM 620 CA LEU A 43 0.252 -3.447 -2.353 1.00 0.41 C ATOM 621 C LEU A 43 0.682 -3.142 -0.911 1.00 0.45 C ATOM 622 O LEU A 43 1.526 -3.820 -0.354 1.00 0.47 O ATOM 623 CB LEU A 43 1.022 -2.541 -3.322 1.00 0.44 C ATOM 624 CG LEU A 43 2.493 -2.967 -3.368 1.00 0.47 C ATOM 625 CD1 LEU A 43 2.954 -3.078 -4.825 1.00 0.49 C ATOM 626 CD2 LEU A 43 3.352 -1.928 -2.639 1.00 0.67 C ATOM 0 H LEU A 43 -1.459 -2.446 -3.142 1.00 0.44 H new ATOM 0 HA LEU A 43 0.470 -4.490 -2.580 1.00 0.41 H new ATOM 0 HB2 LEU A 43 0.584 -2.602 -4.318 1.00 0.44 H new ATOM 0 HB3 LEU A 43 0.944 -1.502 -3.003 1.00 0.44 H new ATOM 0 HG LEU A 43 2.601 -3.936 -2.880 1.00 0.47 H new ATOM 0 HD11 LEU A 43 4.001 -3.381 -4.853 1.00 0.49 H new ATOM 0 HD12 LEU A 43 2.347 -3.820 -5.343 1.00 0.49 H new ATOM 0 HD13 LEU A 43 2.843 -2.111 -5.316 1.00 0.49 H new ATOM 0 HD21 LEU A 43 4.398 -2.233 -2.673 1.00 0.67 H new ATOM 0 HD22 LEU A 43 3.241 -0.958 -3.125 1.00 0.67 H new ATOM 0 HD23 LEU A 43 3.029 -1.853 -1.601 1.00 0.67 H new ATOM 638 N LYS A 44 0.098 -2.131 -0.307 1.00 0.52 N ATOM 639 CA LYS A 44 0.453 -1.773 1.102 1.00 0.59 C ATOM 640 C LYS A 44 0.117 -2.950 2.025 1.00 0.57 C ATOM 641 O LYS A 44 0.914 -3.337 2.861 1.00 0.60 O ATOM 642 CB LYS A 44 -0.356 -0.544 1.532 1.00 0.70 C ATOM 643 CG LYS A 44 0.490 0.333 2.457 1.00 0.97 C ATOM 644 CD LYS A 44 -0.338 0.738 3.680 1.00 1.48 C ATOM 645 CE LYS A 44 0.240 0.067 4.927 1.00 2.17 C ATOM 646 NZ LYS A 44 -0.723 0.205 6.056 1.00 3.15 N ATOM 0 H LYS A 44 -0.613 -1.537 -0.734 1.00 0.52 H new ATOM 0 HA LYS A 44 1.518 -1.551 1.166 1.00 0.59 H new ATOM 0 HB2 LYS A 44 -0.663 0.026 0.655 1.00 0.70 H new ATOM 0 HB3 LYS A 44 -1.266 -0.857 2.044 1.00 0.70 H new ATOM 0 HG2 LYS A 44 1.382 -0.208 2.772 1.00 0.97 H new ATOM 0 HG3 LYS A 44 0.828 1.221 1.924 1.00 0.97 H new ATOM 0 HD2 LYS A 44 -0.327 1.822 3.798 1.00 1.48 H new ATOM 0 HD3 LYS A 44 -1.378 0.443 3.543 1.00 1.48 H new ATOM 0 HE2 LYS A 44 0.436 -0.987 4.729 1.00 2.17 H new ATOM 0 HE3 LYS A 44 1.194 0.524 5.190 1.00 2.17 H new ATOM 0 HZ1 LYS A 44 -0.331 -0.251 6.904 1.00 3.15 H new ATOM 0 HZ2 LYS A 44 -0.888 1.213 6.250 1.00 3.15 H new ATOM 0 HZ3 LYS A 44 -1.623 -0.251 5.803 1.00 3.15 H new ATOM 660 N PHE A 45 -1.054 -3.522 1.867 1.00 0.56 N ATOM 661 CA PHE A 45 -1.463 -4.681 2.719 1.00 0.58 C ATOM 662 C PHE A 45 -0.591 -5.898 2.390 1.00 0.49 C ATOM 663 O PHE A 45 -0.141 -6.600 3.277 1.00 0.56 O ATOM 664 CB PHE A 45 -2.933 -5.014 2.448 1.00 0.65 C ATOM 665 CG PHE A 45 -3.697 -5.012 3.749 1.00 0.82 C ATOM 666 CD1 PHE A 45 -3.982 -3.801 4.391 1.00 1.49 C ATOM 667 CD2 PHE A 45 -4.116 -6.221 4.316 1.00 1.15 C ATOM 668 CE1 PHE A 45 -4.687 -3.801 5.600 1.00 1.93 C ATOM 669 CE2 PHE A 45 -4.821 -6.219 5.524 1.00 1.62 C ATOM 670 CZ PHE A 45 -5.106 -5.009 6.166 1.00 1.87 C ATOM 0 H PHE A 45 -1.748 -3.232 1.178 1.00 0.56 H new ATOM 0 HA PHE A 45 -1.334 -4.423 3.770 1.00 0.58 H new ATOM 0 HB2 PHE A 45 -3.362 -4.284 1.761 1.00 0.65 H new ATOM 0 HB3 PHE A 45 -3.014 -5.989 1.968 1.00 0.65 H new ATOM 0 HD1 PHE A 45 -3.658 -2.868 3.954 1.00 1.49 H new ATOM 0 HD2 PHE A 45 -3.895 -7.155 3.821 1.00 1.15 H new ATOM 0 HE1 PHE A 45 -4.908 -2.867 6.096 1.00 1.93 H new ATOM 0 HE2 PHE A 45 -5.145 -7.152 5.961 1.00 1.62 H new ATOM 0 HZ PHE A 45 -5.650 -5.008 7.099 1.00 1.87 H new ATOM 680 N ALA A 46 -0.349 -6.148 1.121 1.00 0.42 N ATOM 681 CA ALA A 46 0.498 -7.315 0.723 1.00 0.39 C ATOM 682 C ALA A 46 1.894 -7.167 1.336 1.00 0.37 C ATOM 683 O ALA A 46 2.438 -8.107 1.884 1.00 0.40 O ATOM 684 CB ALA A 46 0.610 -7.365 -0.805 1.00 0.41 C ATOM 0 H ALA A 46 -0.704 -5.590 0.344 1.00 0.42 H new ATOM 0 HA ALA A 46 0.041 -8.237 1.084 1.00 0.39 H new ATOM 0 HB1 ALA A 46 1.227 -8.215 -1.097 1.00 0.41 H new ATOM 0 HB2 ALA A 46 -0.384 -7.472 -1.239 1.00 0.41 H new ATOM 0 HB3 ALA A 46 1.067 -6.444 -1.167 1.00 0.41 H new ATOM 690 N ALA A 47 2.468 -5.987 1.253 1.00 0.38 N ATOM 691 CA ALA A 47 3.828 -5.755 1.835 1.00 0.43 C ATOM 692 C ALA A 47 3.776 -5.927 3.359 1.00 0.46 C ATOM 693 O ALA A 47 4.686 -6.474 3.956 1.00 0.51 O ATOM 694 CB ALA A 47 4.293 -4.335 1.497 1.00 0.51 C ATOM 0 H ALA A 47 2.049 -5.172 0.805 1.00 0.38 H new ATOM 0 HA ALA A 47 4.527 -6.478 1.415 1.00 0.43 H new ATOM 0 HB1 ALA A 47 5.283 -4.166 1.921 1.00 0.51 H new ATOM 0 HB2 ALA A 47 4.336 -4.214 0.415 1.00 0.51 H new ATOM 0 HB3 ALA A 47 3.591 -3.613 1.915 1.00 0.51 H new ATOM 700 N GLU A 48 2.712 -5.471 3.986 1.00 0.51 N ATOM 701 CA GLU A 48 2.578 -5.607 5.472 1.00 0.57 C ATOM 702 C GLU A 48 2.616 -7.094 5.854 1.00 0.51 C ATOM 703 O GLU A 48 3.304 -7.483 6.781 1.00 0.55 O ATOM 704 CB GLU A 48 1.245 -4.995 5.918 1.00 0.67 C ATOM 705 CG GLU A 48 1.150 -5.009 7.448 1.00 0.78 C ATOM 706 CD GLU A 48 -0.073 -5.823 7.879 1.00 0.91 C ATOM 707 OE1 GLU A 48 -1.161 -5.269 7.880 1.00 1.19 O ATOM 708 OE2 GLU A 48 0.098 -6.989 8.200 1.00 1.03 O ATOM 0 H GLU A 48 1.928 -5.008 3.527 1.00 0.51 H new ATOM 0 HA GLU A 48 3.400 -5.087 5.964 1.00 0.57 H new ATOM 0 HB2 GLU A 48 1.163 -3.973 5.549 1.00 0.67 H new ATOM 0 HB3 GLU A 48 0.415 -5.556 5.488 1.00 0.67 H new ATOM 0 HG2 GLU A 48 2.055 -5.440 7.875 1.00 0.78 H new ATOM 0 HG3 GLU A 48 1.073 -3.990 7.827 1.00 0.78 H new ATOM 715 N GLU A 49 1.888 -7.921 5.138 1.00 0.48 N ATOM 716 CA GLU A 49 1.878 -9.386 5.439 1.00 0.47 C ATOM 717 C GLU A 49 3.209 -10.015 4.993 1.00 0.43 C ATOM 718 O GLU A 49 3.681 -10.966 5.590 1.00 0.50 O ATOM 719 CB GLU A 49 0.717 -10.051 4.691 1.00 0.53 C ATOM 720 CG GLU A 49 -0.563 -9.957 5.532 1.00 0.59 C ATOM 721 CD GLU A 49 -1.425 -8.788 5.039 1.00 0.68 C ATOM 722 OE1 GLU A 49 -2.111 -8.959 4.042 1.00 0.82 O ATOM 723 OE2 GLU A 49 -1.388 -7.742 5.667 1.00 0.79 O ATOM 0 H GLU A 49 1.298 -7.640 4.355 1.00 0.48 H new ATOM 0 HA GLU A 49 1.753 -9.536 6.511 1.00 0.47 H new ATOM 0 HB2 GLU A 49 0.567 -9.564 3.727 1.00 0.53 H new ATOM 0 HB3 GLU A 49 0.954 -11.095 4.487 1.00 0.53 H new ATOM 0 HG2 GLU A 49 -1.124 -10.889 5.462 1.00 0.59 H new ATOM 0 HG3 GLU A 49 -0.309 -9.816 6.583 1.00 0.59 H new ATOM 730 N PHE A 50 3.816 -9.485 3.952 1.00 0.41 N ATOM 731 CA PHE A 50 5.118 -10.039 3.457 1.00 0.46 C ATOM 732 C PHE A 50 6.289 -9.543 4.330 1.00 0.54 C ATOM 733 O PHE A 50 7.431 -9.885 4.080 1.00 0.64 O ATOM 734 CB PHE A 50 5.346 -9.581 2.013 1.00 0.46 C ATOM 735 CG PHE A 50 4.985 -10.694 1.059 1.00 0.47 C ATOM 736 CD1 PHE A 50 5.949 -11.640 0.688 1.00 0.70 C ATOM 737 CD2 PHE A 50 3.688 -10.777 0.540 1.00 0.56 C ATOM 738 CE1 PHE A 50 5.614 -12.667 -0.203 1.00 0.77 C ATOM 739 CE2 PHE A 50 3.355 -11.804 -0.349 1.00 0.64 C ATOM 740 CZ PHE A 50 4.317 -12.748 -0.720 1.00 0.65 C ATOM 0 H PHE A 50 3.461 -8.688 3.423 1.00 0.41 H new ATOM 0 HA PHE A 50 5.075 -11.127 3.508 1.00 0.46 H new ATOM 0 HB2 PHE A 50 4.741 -8.699 1.802 1.00 0.46 H new ATOM 0 HB3 PHE A 50 6.388 -9.294 1.873 1.00 0.46 H new ATOM 0 HD1 PHE A 50 6.950 -11.577 1.089 1.00 0.70 H new ATOM 0 HD2 PHE A 50 2.944 -10.048 0.826 1.00 0.56 H new ATOM 0 HE1 PHE A 50 6.357 -13.396 -0.491 1.00 0.77 H new ATOM 0 HE2 PHE A 50 2.354 -11.868 -0.749 1.00 0.64 H new ATOM 0 HZ PHE A 50 4.058 -13.541 -1.407 1.00 0.65 H new ATOM 750 N LYS A 51 6.018 -8.748 5.347 1.00 0.55 N ATOM 751 CA LYS A 51 7.108 -8.234 6.240 1.00 0.66 C ATOM 752 C LYS A 51 8.086 -7.354 5.441 1.00 0.69 C ATOM 753 O LYS A 51 9.288 -7.397 5.643 1.00 0.79 O ATOM 754 CB LYS A 51 7.851 -9.416 6.877 1.00 0.75 C ATOM 755 CG LYS A 51 7.125 -9.833 8.155 1.00 1.13 C ATOM 756 CD LYS A 51 8.143 -10.184 9.243 1.00 2.14 C ATOM 757 CE LYS A 51 7.569 -11.282 10.148 1.00 2.87 C ATOM 758 NZ LYS A 51 6.325 -10.793 10.821 1.00 3.70 N ATOM 0 H LYS A 51 5.080 -8.433 5.595 1.00 0.55 H new ATOM 0 HA LYS A 51 6.665 -7.624 7.028 1.00 0.66 H new ATOM 0 HB2 LYS A 51 7.895 -10.252 6.180 1.00 0.75 H new ATOM 0 HB3 LYS A 51 8.880 -9.136 7.103 1.00 0.75 H new ATOM 0 HG2 LYS A 51 6.479 -9.024 8.497 1.00 1.13 H new ATOM 0 HG3 LYS A 51 6.483 -10.691 7.955 1.00 1.13 H new ATOM 0 HD2 LYS A 51 9.074 -10.523 8.789 1.00 2.14 H new ATOM 0 HD3 LYS A 51 8.380 -9.299 9.833 1.00 2.14 H new ATOM 0 HE2 LYS A 51 7.348 -12.172 9.558 1.00 2.87 H new ATOM 0 HE3 LYS A 51 8.307 -11.571 10.896 1.00 2.87 H new ATOM 0 HZ1 LYS A 51 6.057 -11.454 11.578 1.00 3.70 H new ATOM 0 HZ2 LYS A 51 6.498 -9.852 11.229 1.00 3.70 H new ATOM 0 HZ3 LYS A 51 5.555 -10.732 10.125 1.00 3.70 H new ATOM 772 N VAL A 52 7.569 -6.541 4.550 1.00 0.64 N ATOM 773 CA VAL A 52 8.441 -5.632 3.741 1.00 0.70 C ATOM 774 C VAL A 52 7.824 -4.224 3.731 1.00 0.70 C ATOM 775 O VAL A 52 6.628 -4.073 3.908 1.00 0.69 O ATOM 776 CB VAL A 52 8.562 -6.150 2.299 1.00 0.66 C ATOM 777 CG1 VAL A 52 9.385 -7.440 2.276 1.00 0.83 C ATOM 778 CG2 VAL A 52 7.171 -6.428 1.722 1.00 0.54 C ATOM 0 H VAL A 52 6.572 -6.468 4.348 1.00 0.64 H new ATOM 0 HA VAL A 52 9.436 -5.601 4.185 1.00 0.70 H new ATOM 0 HB VAL A 52 9.058 -5.390 1.695 1.00 0.66 H new ATOM 0 HG11 VAL A 52 9.467 -7.801 1.251 1.00 0.83 H new ATOM 0 HG12 VAL A 52 10.381 -7.243 2.672 1.00 0.83 H new ATOM 0 HG13 VAL A 52 8.894 -8.196 2.889 1.00 0.83 H new ATOM 0 HG21 VAL A 52 7.268 -6.795 0.700 1.00 0.54 H new ATOM 0 HG22 VAL A 52 6.668 -7.179 2.331 1.00 0.54 H new ATOM 0 HG23 VAL A 52 6.586 -5.508 1.724 1.00 0.54 H new ATOM 788 N PRO A 53 8.660 -3.231 3.523 1.00 0.80 N ATOM 789 CA PRO A 53 8.224 -1.822 3.486 1.00 0.89 C ATOM 790 C PRO A 53 7.521 -1.501 2.160 1.00 0.80 C ATOM 791 O PRO A 53 8.030 -1.794 1.092 1.00 0.73 O ATOM 792 CB PRO A 53 9.530 -1.035 3.624 1.00 1.07 C ATOM 793 CG PRO A 53 10.664 -1.987 3.176 1.00 1.07 C ATOM 794 CD PRO A 53 10.112 -3.419 3.303 1.00 0.93 C ATOM 0 HA PRO A 53 7.503 -1.580 4.267 1.00 0.89 H new ATOM 0 HB2 PRO A 53 9.510 -0.138 3.006 1.00 1.07 H new ATOM 0 HB3 PRO A 53 9.680 -0.710 4.653 1.00 1.07 H new ATOM 0 HG2 PRO A 53 10.963 -1.777 2.149 1.00 1.07 H new ATOM 0 HG3 PRO A 53 11.549 -1.856 3.799 1.00 1.07 H new ATOM 0 HD2 PRO A 53 10.306 -4.002 2.403 1.00 0.93 H new ATOM 0 HD3 PRO A 53 10.575 -3.952 4.134 1.00 0.93 H new ATOM 802 N ALA A 54 6.358 -0.895 2.232 1.00 0.92 N ATOM 803 CA ALA A 54 5.601 -0.534 0.992 1.00 0.96 C ATOM 804 C ALA A 54 6.407 0.483 0.168 1.00 1.02 C ATOM 805 O ALA A 54 6.310 0.522 -1.046 1.00 1.01 O ATOM 806 CB ALA A 54 4.250 0.077 1.379 1.00 1.21 C ATOM 0 H ALA A 54 5.899 -0.634 3.104 1.00 0.92 H new ATOM 0 HA ALA A 54 5.438 -1.431 0.395 1.00 0.96 H new ATOM 0 HB1 ALA A 54 3.698 0.340 0.477 1.00 1.21 H new ATOM 0 HB2 ALA A 54 3.676 -0.647 1.958 1.00 1.21 H new ATOM 0 HB3 ALA A 54 4.414 0.973 1.978 1.00 1.21 H new ATOM 812 N ALA A 55 7.208 1.298 0.825 1.00 1.19 N ATOM 813 CA ALA A 55 8.038 2.312 0.099 1.00 1.33 C ATOM 814 C ALA A 55 9.200 1.622 -0.640 1.00 1.23 C ATOM 815 O ALA A 55 9.858 2.229 -1.464 1.00 1.34 O ATOM 816 CB ALA A 55 8.601 3.318 1.108 1.00 1.58 C ATOM 0 H ALA A 55 7.320 1.301 1.839 1.00 1.19 H new ATOM 0 HA ALA A 55 7.413 2.827 -0.631 1.00 1.33 H new ATOM 0 HB1 ALA A 55 9.206 4.058 0.585 1.00 1.58 H new ATOM 0 HB2 ALA A 55 7.779 3.818 1.621 1.00 1.58 H new ATOM 0 HB3 ALA A 55 9.219 2.795 1.838 1.00 1.58 H new ATOM 822 N THR A 56 9.454 0.363 -0.355 1.00 1.08 N ATOM 823 CA THR A 56 10.564 -0.366 -1.043 1.00 1.12 C ATOM 824 C THR A 56 10.065 -1.767 -1.436 1.00 0.95 C ATOM 825 O THR A 56 10.710 -2.769 -1.178 1.00 1.03 O ATOM 826 CB THR A 56 11.776 -0.480 -0.100 1.00 1.31 C ATOM 827 OG1 THR A 56 11.974 0.755 0.578 1.00 1.50 O ATOM 828 CG2 THR A 56 13.029 -0.818 -0.911 1.00 1.52 C ATOM 0 H THR A 56 8.936 -0.190 0.328 1.00 1.08 H new ATOM 0 HA THR A 56 10.870 0.178 -1.937 1.00 1.12 H new ATOM 0 HB THR A 56 11.589 -1.269 0.628 1.00 1.31 H new ATOM 0 HG1 THR A 56 12.745 0.679 1.178 1.00 1.50 H new ATOM 0 HG21 THR A 56 13.885 -0.898 -0.241 1.00 1.52 H new ATOM 0 HG22 THR A 56 12.883 -1.766 -1.428 1.00 1.52 H new ATOM 0 HG23 THR A 56 13.213 -0.031 -1.642 1.00 1.52 H new ATOM 836 N SER A 57 8.909 -1.837 -2.059 1.00 0.80 N ATOM 837 CA SER A 57 8.347 -3.161 -2.471 1.00 0.71 C ATOM 838 C SER A 57 7.502 -3.004 -3.743 1.00 0.64 C ATOM 839 O SER A 57 6.920 -1.962 -3.995 1.00 0.72 O ATOM 840 CB SER A 57 7.471 -3.716 -1.341 1.00 0.65 C ATOM 841 OG SER A 57 6.414 -2.805 -1.067 1.00 0.64 O ATOM 0 H SER A 57 8.332 -1.031 -2.299 1.00 0.80 H new ATOM 0 HA SER A 57 9.168 -3.849 -2.673 1.00 0.71 H new ATOM 0 HB2 SER A 57 7.064 -4.686 -1.626 1.00 0.65 H new ATOM 0 HB3 SER A 57 8.071 -3.873 -0.445 1.00 0.65 H new ATOM 0 HG SER A 57 5.555 -3.274 -1.121 1.00 0.64 H new ATOM 847 N ALA A 58 7.431 -4.043 -4.539 1.00 0.61 N ATOM 848 CA ALA A 58 6.626 -3.994 -5.799 1.00 0.55 C ATOM 849 C ALA A 58 5.980 -5.363 -6.043 1.00 0.48 C ATOM 850 O ALA A 58 6.385 -6.359 -5.468 1.00 0.54 O ATOM 851 CB ALA A 58 7.540 -3.642 -6.975 1.00 0.68 C ATOM 0 H ALA A 58 7.901 -4.932 -4.367 1.00 0.61 H new ATOM 0 HA ALA A 58 5.848 -3.236 -5.706 1.00 0.55 H new ATOM 0 HB1 ALA A 58 6.954 -3.606 -7.893 1.00 0.68 H new ATOM 0 HB2 ALA A 58 8.000 -2.669 -6.800 1.00 0.68 H new ATOM 0 HB3 ALA A 58 8.318 -4.399 -7.070 1.00 0.68 H new ATOM 857 N ILE A 59 4.980 -5.424 -6.892 1.00 0.42 N ATOM 858 CA ILE A 59 4.310 -6.731 -7.168 1.00 0.40 C ATOM 859 C ILE A 59 4.346 -7.015 -8.674 1.00 0.41 C ATOM 860 O ILE A 59 3.868 -6.231 -9.468 1.00 0.48 O ATOM 861 CB ILE A 59 2.859 -6.671 -6.666 1.00 0.38 C ATOM 862 CG1 ILE A 59 2.846 -6.887 -5.148 1.00 0.42 C ATOM 863 CG2 ILE A 59 2.022 -7.761 -7.342 1.00 0.47 C ATOM 864 CD1 ILE A 59 1.514 -6.403 -4.567 1.00 0.47 C ATOM 0 H ILE A 59 4.602 -4.626 -7.403 1.00 0.42 H new ATOM 0 HA ILE A 59 4.831 -7.535 -6.648 1.00 0.40 H new ATOM 0 HB ILE A 59 2.434 -5.697 -6.908 1.00 0.38 H new ATOM 0 HG12 ILE A 59 2.990 -7.943 -4.920 1.00 0.42 H new ATOM 0 HG13 ILE A 59 3.672 -6.346 -4.687 1.00 0.42 H new ATOM 0 HG21 ILE A 59 0.996 -7.709 -6.979 1.00 0.47 H new ATOM 0 HG22 ILE A 59 2.033 -7.611 -8.422 1.00 0.47 H new ATOM 0 HG23 ILE A 59 2.441 -8.740 -7.107 1.00 0.47 H new ATOM 0 HD11 ILE A 59 1.510 -6.559 -3.488 1.00 0.47 H new ATOM 0 HD12 ILE A 59 1.388 -5.342 -4.781 1.00 0.47 H new ATOM 0 HD13 ILE A 59 0.695 -6.964 -5.018 1.00 0.47 H new ATOM 876 N ILE A 60 4.910 -8.132 -9.068 1.00 0.42 N ATOM 877 CA ILE A 60 4.979 -8.476 -10.524 1.00 0.43 C ATOM 878 C ILE A 60 3.875 -9.486 -10.880 1.00 0.45 C ATOM 879 O ILE A 60 3.198 -10.013 -10.015 1.00 0.49 O ATOM 880 CB ILE A 60 6.356 -9.072 -10.856 1.00 0.52 C ATOM 881 CG1 ILE A 60 6.599 -10.333 -10.016 1.00 0.59 C ATOM 882 CG2 ILE A 60 7.448 -8.040 -10.555 1.00 0.57 C ATOM 883 CD1 ILE A 60 7.014 -11.487 -10.932 1.00 0.72 C ATOM 0 H ILE A 60 5.326 -8.822 -8.442 1.00 0.42 H new ATOM 0 HA ILE A 60 4.832 -7.568 -11.109 1.00 0.43 H new ATOM 0 HB ILE A 60 6.384 -9.336 -11.913 1.00 0.52 H new ATOM 0 HG12 ILE A 60 7.377 -10.145 -9.276 1.00 0.59 H new ATOM 0 HG13 ILE A 60 5.695 -10.597 -9.468 1.00 0.59 H new ATOM 0 HG21 ILE A 60 8.424 -8.464 -10.791 1.00 0.57 H new ATOM 0 HG22 ILE A 60 7.283 -7.149 -11.161 1.00 0.57 H new ATOM 0 HG23 ILE A 60 7.414 -7.772 -9.499 1.00 0.57 H new ATOM 0 HD11 ILE A 60 7.186 -12.382 -10.334 1.00 0.72 H new ATOM 0 HD12 ILE A 60 6.222 -11.681 -11.655 1.00 0.72 H new ATOM 0 HD13 ILE A 60 7.930 -11.221 -11.460 1.00 0.72 H new ATOM 895 N THR A 61 3.690 -9.753 -12.153 1.00 0.47 N ATOM 896 CA THR A 61 2.630 -10.719 -12.588 1.00 0.52 C ATOM 897 C THR A 61 3.286 -12.012 -13.108 1.00 0.59 C ATOM 898 O THR A 61 4.444 -12.023 -13.488 1.00 0.62 O ATOM 899 CB THR A 61 1.784 -10.074 -13.701 1.00 0.51 C ATOM 900 OG1 THR A 61 1.410 -8.758 -13.305 1.00 0.50 O ATOM 901 CG2 THR A 61 0.518 -10.899 -13.954 1.00 0.62 C ATOM 0 H THR A 61 4.231 -9.340 -12.913 1.00 0.47 H new ATOM 0 HA THR A 61 1.989 -10.965 -11.742 1.00 0.52 H new ATOM 0 HB THR A 61 2.375 -10.037 -14.616 1.00 0.51 H new ATOM 0 HG1 THR A 61 2.179 -8.158 -13.397 1.00 0.50 H new ATOM 0 HG21 THR A 61 -0.070 -10.431 -14.743 1.00 0.62 H new ATOM 0 HG22 THR A 61 0.796 -11.908 -14.259 1.00 0.62 H new ATOM 0 HG23 THR A 61 -0.074 -10.946 -13.040 1.00 0.62 H new ATOM 909 N ASN A 62 2.544 -13.099 -13.114 1.00 0.69 N ATOM 910 CA ASN A 62 3.082 -14.416 -13.595 1.00 0.80 C ATOM 911 C ASN A 62 3.695 -14.287 -15.001 1.00 0.76 C ATOM 912 O ASN A 62 4.586 -15.038 -15.359 1.00 0.83 O ATOM 913 CB ASN A 62 1.939 -15.435 -13.645 1.00 0.91 C ATOM 914 CG ASN A 62 2.231 -16.587 -12.681 1.00 1.12 C ATOM 915 OD1 ASN A 62 1.799 -16.566 -11.547 1.00 1.50 O ATOM 916 ND2 ASN A 62 2.951 -17.598 -13.087 1.00 1.61 N ATOM 0 H ASN A 62 1.574 -13.129 -12.801 1.00 0.69 H new ATOM 0 HA ASN A 62 3.860 -14.742 -12.905 1.00 0.80 H new ATOM 0 HB2 ASN A 62 0.998 -14.954 -13.377 1.00 0.91 H new ATOM 0 HB3 ASN A 62 1.824 -15.817 -14.659 1.00 0.91 H new ATOM 0 HD21 ASN A 62 3.150 -18.370 -12.451 1.00 1.61 H new ATOM 0 HD22 ASN A 62 3.314 -17.616 -14.040 1.00 1.61 H new ATOM 923 N ASP A 63 3.225 -13.354 -15.801 1.00 0.68 N ATOM 924 CA ASP A 63 3.781 -13.191 -17.181 1.00 0.67 C ATOM 925 C ASP A 63 5.116 -12.441 -17.119 1.00 0.65 C ATOM 926 O ASP A 63 6.045 -12.761 -17.839 1.00 0.82 O ATOM 927 CB ASP A 63 2.791 -12.398 -18.044 1.00 0.64 C ATOM 928 CG ASP A 63 1.513 -13.220 -18.251 1.00 0.75 C ATOM 929 OD1 ASP A 63 1.478 -13.998 -19.191 1.00 0.95 O ATOM 930 OD2 ASP A 63 0.592 -13.055 -17.467 1.00 0.93 O ATOM 0 H ASP A 63 2.481 -12.701 -15.555 1.00 0.68 H new ATOM 0 HA ASP A 63 3.941 -14.176 -17.620 1.00 0.67 H new ATOM 0 HB2 ASP A 63 2.551 -11.450 -17.562 1.00 0.64 H new ATOM 0 HB3 ASP A 63 3.242 -12.161 -19.007 1.00 0.64 H new ATOM 935 N GLY A 64 5.220 -11.452 -16.260 1.00 0.59 N ATOM 936 CA GLY A 64 6.495 -10.681 -16.139 1.00 0.61 C ATOM 937 C GLY A 64 6.206 -9.180 -16.234 1.00 0.56 C ATOM 938 O GLY A 64 6.868 -8.461 -16.960 1.00 0.70 O ATOM 0 H GLY A 64 4.472 -11.147 -15.637 1.00 0.59 H new ATOM 0 HA2 GLY A 64 6.979 -10.908 -15.189 1.00 0.61 H new ATOM 0 HA3 GLY A 64 7.186 -10.978 -16.928 1.00 0.61 H new ATOM 942 N VAL A 65 5.226 -8.705 -15.499 1.00 0.48 N ATOM 943 CA VAL A 65 4.886 -7.251 -15.531 1.00 0.44 C ATOM 944 C VAL A 65 5.015 -6.683 -14.112 1.00 0.42 C ATOM 945 O VAL A 65 4.349 -7.129 -13.196 1.00 0.43 O ATOM 946 CB VAL A 65 3.450 -7.063 -16.040 1.00 0.44 C ATOM 947 CG1 VAL A 65 3.164 -5.571 -16.235 1.00 0.52 C ATOM 948 CG2 VAL A 65 3.281 -7.791 -17.378 1.00 0.63 C ATOM 0 H VAL A 65 4.646 -9.268 -14.876 1.00 0.48 H new ATOM 0 HA VAL A 65 5.566 -6.727 -16.202 1.00 0.44 H new ATOM 0 HB VAL A 65 2.753 -7.474 -15.310 1.00 0.44 H new ATOM 0 HG11 VAL A 65 2.144 -5.440 -16.596 1.00 0.52 H new ATOM 0 HG12 VAL A 65 3.282 -5.051 -15.284 1.00 0.52 H new ATOM 0 HG13 VAL A 65 3.863 -5.159 -16.963 1.00 0.52 H new ATOM 0 HG21 VAL A 65 2.261 -7.657 -17.739 1.00 0.63 H new ATOM 0 HG22 VAL A 65 3.980 -7.381 -18.106 1.00 0.63 H new ATOM 0 HG23 VAL A 65 3.481 -8.854 -17.242 1.00 0.63 H new ATOM 958 N GLY A 66 5.876 -5.708 -13.931 1.00 0.45 N ATOM 959 CA GLY A 66 6.075 -5.104 -12.579 1.00 0.46 C ATOM 960 C GLY A 66 4.877 -4.226 -12.215 1.00 0.41 C ATOM 961 O GLY A 66 4.887 -3.027 -12.425 1.00 0.47 O ATOM 0 H GLY A 66 6.452 -5.304 -14.669 1.00 0.45 H new ATOM 0 HA2 GLY A 66 6.199 -5.891 -11.835 1.00 0.46 H new ATOM 0 HA3 GLY A 66 6.988 -4.509 -12.569 1.00 0.46 H new ATOM 965 N VAL A 67 3.851 -4.825 -11.663 1.00 0.36 N ATOM 966 CA VAL A 67 2.634 -4.051 -11.261 1.00 0.35 C ATOM 967 C VAL A 67 2.997 -3.078 -10.130 1.00 0.36 C ATOM 968 O VAL A 67 3.602 -3.456 -9.137 1.00 0.40 O ATOM 969 CB VAL A 67 1.539 -5.012 -10.773 1.00 0.35 C ATOM 970 CG1 VAL A 67 0.230 -4.244 -10.585 1.00 0.41 C ATOM 971 CG2 VAL A 67 1.328 -6.124 -11.805 1.00 0.40 C ATOM 0 H VAL A 67 3.803 -5.826 -11.472 1.00 0.36 H new ATOM 0 HA VAL A 67 2.265 -3.494 -12.122 1.00 0.35 H new ATOM 0 HB VAL A 67 1.846 -5.451 -9.824 1.00 0.35 H new ATOM 0 HG11 VAL A 67 -0.546 -4.927 -10.239 1.00 0.41 H new ATOM 0 HG12 VAL A 67 0.374 -3.454 -9.847 1.00 0.41 H new ATOM 0 HG13 VAL A 67 -0.072 -3.803 -11.535 1.00 0.41 H new ATOM 0 HG21 VAL A 67 0.551 -6.803 -11.455 1.00 0.40 H new ATOM 0 HG22 VAL A 67 1.025 -5.685 -12.756 1.00 0.40 H new ATOM 0 HG23 VAL A 67 2.258 -6.676 -11.940 1.00 0.40 H new ATOM 981 N ASN A 68 2.630 -1.828 -10.282 1.00 0.41 N ATOM 982 CA ASN A 68 2.942 -0.806 -9.236 1.00 0.45 C ATOM 983 C ASN A 68 1.642 -0.334 -8.566 1.00 0.45 C ATOM 984 O ASN A 68 0.564 -0.523 -9.104 1.00 0.44 O ATOM 985 CB ASN A 68 3.643 0.389 -9.892 1.00 0.55 C ATOM 986 CG ASN A 68 4.998 -0.051 -10.455 1.00 0.62 C ATOM 987 OD1 ASN A 68 5.897 -0.394 -9.711 1.00 0.97 O ATOM 988 ND2 ASN A 68 5.185 -0.055 -11.748 1.00 0.75 N ATOM 0 H ASN A 68 2.124 -1.471 -11.092 1.00 0.41 H new ATOM 0 HA ASN A 68 3.594 -1.246 -8.481 1.00 0.45 H new ATOM 0 HB2 ASN A 68 3.021 0.794 -10.690 1.00 0.55 H new ATOM 0 HB3 ASN A 68 3.783 1.186 -9.162 1.00 0.55 H new ATOM 0 HD21 ASN A 68 6.084 -0.346 -12.132 1.00 0.75 H new ATOM 0 HD22 ASN A 68 4.432 0.232 -12.373 1.00 0.75 H new ATOM 995 N PRO A 69 1.787 0.274 -7.407 1.00 0.49 N ATOM 996 CA PRO A 69 0.651 0.800 -6.627 1.00 0.53 C ATOM 997 C PRO A 69 0.172 2.129 -7.231 1.00 0.60 C ATOM 998 O PRO A 69 0.314 3.186 -6.641 1.00 0.70 O ATOM 999 CB PRO A 69 1.237 0.990 -5.222 1.00 0.60 C ATOM 1000 CG PRO A 69 2.769 1.114 -5.402 1.00 0.61 C ATOM 1001 CD PRO A 69 3.102 0.495 -6.773 1.00 0.54 C ATOM 0 HA PRO A 69 -0.220 0.145 -6.621 1.00 0.53 H new ATOM 0 HB2 PRO A 69 0.828 1.882 -4.748 1.00 0.60 H new ATOM 0 HB3 PRO A 69 0.988 0.145 -4.580 1.00 0.60 H new ATOM 0 HG2 PRO A 69 3.081 2.158 -5.362 1.00 0.61 H new ATOM 0 HG3 PRO A 69 3.297 0.593 -4.603 1.00 0.61 H new ATOM 0 HD2 PRO A 69 3.723 1.163 -7.370 1.00 0.54 H new ATOM 0 HD3 PRO A 69 3.652 -0.440 -6.664 1.00 0.54 H new ATOM 1009 N ALA A 70 -0.382 2.073 -8.417 1.00 0.61 N ATOM 1010 CA ALA A 70 -0.872 3.315 -9.096 1.00 0.71 C ATOM 1011 C ALA A 70 -2.259 3.070 -9.714 1.00 0.71 C ATOM 1012 O ALA A 70 -3.138 3.907 -9.620 1.00 0.89 O ATOM 1013 CB ALA A 70 0.114 3.713 -10.197 1.00 0.74 C ATOM 0 H ALA A 70 -0.517 1.213 -8.949 1.00 0.61 H new ATOM 0 HA ALA A 70 -0.949 4.116 -8.361 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -0.240 4.617 -10.693 1.00 0.74 H new ATOM 0 HB2 ALA A 70 1.094 3.900 -9.758 1.00 0.74 H new ATOM 0 HB3 ALA A 70 0.191 2.906 -10.925 1.00 0.74 H new ATOM 1019 N GLN A 71 -2.456 1.933 -10.346 1.00 0.61 N ATOM 1020 CA GLN A 71 -3.781 1.630 -10.977 1.00 0.65 C ATOM 1021 C GLN A 71 -4.754 1.092 -9.915 1.00 0.64 C ATOM 1022 O GLN A 71 -4.334 0.656 -8.858 1.00 0.62 O ATOM 1023 CB GLN A 71 -3.591 0.574 -12.073 1.00 0.63 C ATOM 1024 CG GLN A 71 -2.866 1.197 -13.271 1.00 0.82 C ATOM 1025 CD GLN A 71 -1.379 0.839 -13.213 1.00 1.07 C ATOM 1026 OE1 GLN A 71 -0.571 1.627 -12.762 1.00 1.67 O ATOM 1027 NE2 GLN A 71 -0.980 -0.325 -13.655 1.00 1.20 N ATOM 0 H GLN A 71 -1.753 1.201 -10.451 1.00 0.61 H new ATOM 0 HA GLN A 71 -4.190 2.542 -11.410 1.00 0.65 H new ATOM 0 HB2 GLN A 71 -3.016 -0.267 -11.685 1.00 0.63 H new ATOM 0 HB3 GLN A 71 -4.559 0.182 -12.385 1.00 0.63 H new ATOM 0 HG2 GLN A 71 -3.302 0.834 -14.202 1.00 0.82 H new ATOM 0 HG3 GLN A 71 -2.991 2.280 -13.262 1.00 0.82 H new ATOM 0 HE21 GLN A 71 -1.658 -0.986 -14.034 1.00 1.20 H new ATOM 0 HE22 GLN A 71 0.009 -0.572 -13.621 1.00 1.20 H new ATOM 1036 N PRO A 72 -6.031 1.133 -10.232 1.00 0.70 N ATOM 1037 CA PRO A 72 -7.094 0.649 -9.326 1.00 0.73 C ATOM 1038 C PRO A 72 -7.156 -0.885 -9.339 1.00 0.68 C ATOM 1039 O PRO A 72 -6.793 -1.520 -10.314 1.00 0.67 O ATOM 1040 CB PRO A 72 -8.372 1.260 -9.909 1.00 0.83 C ATOM 1041 CG PRO A 72 -8.067 1.575 -11.393 1.00 0.82 C ATOM 1042 CD PRO A 72 -6.534 1.662 -11.519 1.00 0.75 C ATOM 0 HA PRO A 72 -6.933 0.932 -8.286 1.00 0.73 H new ATOM 0 HB2 PRO A 72 -9.208 0.566 -9.823 1.00 0.83 H new ATOM 0 HB3 PRO A 72 -8.651 2.165 -9.369 1.00 0.83 H new ATOM 0 HG2 PRO A 72 -8.466 0.797 -12.044 1.00 0.82 H new ATOM 0 HG3 PRO A 72 -8.534 2.513 -11.694 1.00 0.82 H new ATOM 0 HD2 PRO A 72 -6.170 1.073 -12.361 1.00 0.75 H new ATOM 0 HD3 PRO A 72 -6.206 2.688 -11.683 1.00 0.75 H new ATOM 1050 N ALA A 73 -7.612 -1.477 -8.259 1.00 0.70 N ATOM 1051 CA ALA A 73 -7.704 -2.973 -8.179 1.00 0.68 C ATOM 1052 C ALA A 73 -8.490 -3.526 -9.379 1.00 0.71 C ATOM 1053 O ALA A 73 -8.144 -4.559 -9.923 1.00 0.70 O ATOM 1054 CB ALA A 73 -8.408 -3.371 -6.880 1.00 0.75 C ATOM 0 H ALA A 73 -7.927 -0.985 -7.423 1.00 0.70 H new ATOM 0 HA ALA A 73 -6.697 -3.390 -8.196 1.00 0.68 H new ATOM 0 HB1 ALA A 73 -8.475 -4.457 -6.821 1.00 0.75 H new ATOM 0 HB2 ALA A 73 -7.840 -2.996 -6.029 1.00 0.75 H new ATOM 0 HB3 ALA A 73 -9.411 -2.944 -6.864 1.00 0.75 H new ATOM 1060 N GLY A 74 -9.537 -2.846 -9.795 1.00 0.79 N ATOM 1061 CA GLY A 74 -10.343 -3.327 -10.963 1.00 0.85 C ATOM 1062 C GLY A 74 -9.448 -3.433 -12.204 1.00 0.78 C ATOM 1063 O GLY A 74 -9.453 -4.435 -12.896 1.00 0.81 O ATOM 0 H GLY A 74 -9.867 -1.978 -9.374 1.00 0.79 H new ATOM 0 HA2 GLY A 74 -10.784 -4.298 -10.737 1.00 0.85 H new ATOM 0 HA3 GLY A 74 -11.167 -2.640 -11.155 1.00 0.85 H new ATOM 1067 N ASN A 75 -8.676 -2.406 -12.483 1.00 0.75 N ATOM 1068 CA ASN A 75 -7.768 -2.433 -13.675 1.00 0.73 C ATOM 1069 C ASN A 75 -6.644 -3.455 -13.453 1.00 0.67 C ATOM 1070 O ASN A 75 -6.238 -4.143 -14.371 1.00 0.69 O ATOM 1071 CB ASN A 75 -7.157 -1.043 -13.880 1.00 0.76 C ATOM 1072 CG ASN A 75 -7.618 -0.472 -15.224 1.00 1.16 C ATOM 1073 OD1 ASN A 75 -6.901 -0.693 -16.293 1.00 1.62 O flip ATOM 1074 ND2 ASN A 75 -8.643 0.179 -15.301 1.00 1.52 N flip ATOM 0 H ASN A 75 -8.637 -1.548 -11.933 1.00 0.75 H new ATOM 0 HA ASN A 75 -8.342 -2.717 -14.557 1.00 0.73 H new ATOM 0 HB2 ASN A 75 -7.458 -0.379 -13.069 1.00 0.76 H new ATOM 0 HB3 ASN A 75 -6.069 -1.105 -13.854 1.00 0.76 H new ATOM 0 HD21 ASN A 75 -9.202 0.351 -14.465 1.00 1.52 H new ATOM 0 HD22 ASN A 75 -8.943 0.553 -16.201 1.00 1.52 H new ATOM 1081 N ILE A 76 -6.145 -3.556 -12.240 1.00 0.63 N ATOM 1082 CA ILE A 76 -5.048 -4.533 -11.938 1.00 0.58 C ATOM 1083 C ILE A 76 -5.534 -5.958 -12.242 1.00 0.62 C ATOM 1084 O ILE A 76 -4.808 -6.761 -12.798 1.00 0.66 O ATOM 1085 CB ILE A 76 -4.662 -4.419 -10.453 1.00 0.58 C ATOM 1086 CG1 ILE A 76 -4.088 -3.018 -10.174 1.00 0.58 C ATOM 1087 CG2 ILE A 76 -3.619 -5.488 -10.093 1.00 0.57 C ATOM 1088 CD1 ILE A 76 -2.731 -2.852 -10.867 1.00 0.58 C ATOM 0 H ILE A 76 -6.453 -3.000 -11.443 1.00 0.63 H new ATOM 0 HA ILE A 76 -4.178 -4.312 -12.556 1.00 0.58 H new ATOM 0 HB ILE A 76 -5.552 -4.575 -9.843 1.00 0.58 H new ATOM 0 HG12 ILE A 76 -4.781 -2.256 -10.530 1.00 0.58 H new ATOM 0 HG13 ILE A 76 -3.976 -2.871 -9.100 1.00 0.58 H new ATOM 0 HG21 ILE A 76 -3.354 -5.397 -9.040 1.00 0.57 H new ATOM 0 HG22 ILE A 76 -4.034 -6.479 -10.279 1.00 0.57 H new ATOM 0 HG23 ILE A 76 -2.728 -5.348 -10.705 1.00 0.57 H new ATOM 0 HD11 ILE A 76 -2.337 -1.857 -10.661 1.00 0.58 H new ATOM 0 HD12 ILE A 76 -2.036 -3.603 -10.491 1.00 0.58 H new ATOM 0 HD13 ILE A 76 -2.854 -2.978 -11.943 1.00 0.58 H new ATOM 1100 N PHE A 77 -6.759 -6.269 -11.885 1.00 0.67 N ATOM 1101 CA PHE A 77 -7.310 -7.634 -12.148 1.00 0.74 C ATOM 1102 C PHE A 77 -7.602 -7.801 -13.647 1.00 0.76 C ATOM 1103 O PHE A 77 -7.373 -8.853 -14.216 1.00 0.83 O ATOM 1104 CB PHE A 77 -8.607 -7.817 -11.351 1.00 0.83 C ATOM 1105 CG PHE A 77 -8.899 -9.290 -11.177 1.00 0.88 C ATOM 1106 CD1 PHE A 77 -9.449 -10.025 -12.235 1.00 1.08 C ATOM 1107 CD2 PHE A 77 -8.620 -9.920 -9.958 1.00 0.87 C ATOM 1108 CE1 PHE A 77 -9.721 -11.388 -12.073 1.00 1.18 C ATOM 1109 CE2 PHE A 77 -8.892 -11.284 -9.798 1.00 0.95 C ATOM 1110 CZ PHE A 77 -9.442 -12.017 -10.855 1.00 1.08 C ATOM 0 H PHE A 77 -7.403 -5.630 -11.420 1.00 0.67 H new ATOM 0 HA PHE A 77 -6.580 -8.383 -11.842 1.00 0.74 H new ATOM 0 HB2 PHE A 77 -8.516 -7.338 -10.376 1.00 0.83 H new ATOM 0 HB3 PHE A 77 -9.434 -7.332 -11.869 1.00 0.83 H new ATOM 0 HD1 PHE A 77 -9.663 -9.540 -13.176 1.00 1.08 H new ATOM 0 HD2 PHE A 77 -8.195 -9.354 -9.142 1.00 0.87 H new ATOM 0 HE1 PHE A 77 -10.146 -11.954 -12.888 1.00 1.18 H new ATOM 0 HE2 PHE A 77 -8.677 -11.771 -8.858 1.00 0.95 H new ATOM 0 HZ PHE A 77 -9.651 -13.069 -10.731 1.00 1.08 H new ATOM 1120 N LEU A 78 -8.114 -6.773 -14.285 1.00 0.76 N ATOM 1121 CA LEU A 78 -8.436 -6.860 -15.745 1.00 0.81 C ATOM 1122 C LEU A 78 -7.148 -6.988 -16.576 1.00 0.79 C ATOM 1123 O LEU A 78 -7.118 -7.682 -17.577 1.00 0.91 O ATOM 1124 CB LEU A 78 -9.192 -5.596 -16.173 1.00 0.85 C ATOM 1125 CG LEU A 78 -10.629 -5.649 -15.641 1.00 0.92 C ATOM 1126 CD1 LEU A 78 -11.252 -4.251 -15.700 1.00 1.00 C ATOM 1127 CD2 LEU A 78 -11.460 -6.611 -16.495 1.00 1.07 C ATOM 0 H LEU A 78 -8.323 -5.873 -13.853 1.00 0.76 H new ATOM 0 HA LEU A 78 -9.053 -7.742 -15.917 1.00 0.81 H new ATOM 0 HB2 LEU A 78 -8.685 -4.710 -15.791 1.00 0.85 H new ATOM 0 HB3 LEU A 78 -9.199 -5.515 -17.260 1.00 0.85 H new ATOM 0 HG LEU A 78 -10.616 -5.998 -14.609 1.00 0.92 H new ATOM 0 HD11 LEU A 78 -12.273 -4.292 -15.321 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.665 -3.565 -15.089 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.261 -3.900 -16.732 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -12.481 -6.646 -16.114 1.00 1.07 H new ATOM 0 HD22 LEU A 78 -11.470 -6.264 -17.528 1.00 1.07 H new ATOM 0 HD23 LEU A 78 -11.022 -7.608 -16.451 1.00 1.07 H new ATOM 1139 N LYS A 79 -6.093 -6.313 -16.178 1.00 0.74 N ATOM 1140 CA LYS A 79 -4.810 -6.375 -16.949 1.00 0.75 C ATOM 1141 C LYS A 79 -3.951 -7.552 -16.478 1.00 0.73 C ATOM 1142 O LYS A 79 -3.599 -8.421 -17.257 1.00 0.85 O ATOM 1143 CB LYS A 79 -4.028 -5.076 -16.731 1.00 0.75 C ATOM 1144 CG LYS A 79 -4.276 -4.123 -17.900 1.00 1.25 C ATOM 1145 CD LYS A 79 -3.906 -2.699 -17.481 1.00 1.68 C ATOM 1146 CE LYS A 79 -3.018 -2.064 -18.554 1.00 2.13 C ATOM 1147 NZ LYS A 79 -2.259 -0.921 -17.966 1.00 2.65 N ATOM 0 H LYS A 79 -6.067 -5.720 -15.349 1.00 0.74 H new ATOM 0 HA LYS A 79 -5.045 -6.507 -18.005 1.00 0.75 H new ATOM 0 HB2 LYS A 79 -4.335 -4.608 -15.796 1.00 0.75 H new ATOM 0 HB3 LYS A 79 -2.963 -5.291 -16.645 1.00 0.75 H new ATOM 0 HG2 LYS A 79 -3.683 -4.426 -18.763 1.00 1.25 H new ATOM 0 HG3 LYS A 79 -5.322 -4.165 -18.202 1.00 1.25 H new ATOM 0 HD2 LYS A 79 -4.808 -2.104 -17.342 1.00 1.68 H new ATOM 0 HD3 LYS A 79 -3.384 -2.714 -16.524 1.00 1.68 H new ATOM 0 HE2 LYS A 79 -2.326 -2.806 -18.953 1.00 2.13 H new ATOM 0 HE3 LYS A 79 -3.629 -1.717 -19.387 1.00 2.13 H new ATOM 0 HZ1 LYS A 79 -1.657 -0.492 -18.697 1.00 2.65 H new ATOM 0 HZ2 LYS A 79 -2.927 -0.210 -17.606 1.00 2.65 H new ATOM 0 HZ3 LYS A 79 -1.664 -1.264 -17.185 1.00 2.65 H new ATOM 1161 N HIS A 80 -3.592 -7.570 -15.217 1.00 0.66 N ATOM 1162 CA HIS A 80 -2.726 -8.669 -14.684 1.00 0.69 C ATOM 1163 C HIS A 80 -3.588 -9.870 -14.279 1.00 0.76 C ATOM 1164 O HIS A 80 -3.439 -10.952 -14.817 1.00 0.92 O ATOM 1165 CB HIS A 80 -1.938 -8.156 -13.469 1.00 0.62 C ATOM 1166 CG HIS A 80 -1.380 -6.788 -13.770 1.00 0.56 C ATOM 1167 ND1 HIS A 80 -1.642 -5.554 -13.231 1.00 0.61 N flip ATOM 1168 CD2 HIS A 80 -0.433 -6.575 -14.761 1.00 0.60 C flip ATOM 1169 CE1 HIS A 80 -0.874 -4.589 -13.875 1.00 0.62 C flip ATOM 1170 NE2 HIS A 80 -0.164 -5.257 -14.788 1.00 0.60 N flip ATOM 0 H HIS A 80 -3.863 -6.866 -14.530 1.00 0.66 H new ATOM 0 HA HIS A 80 -2.029 -8.985 -15.460 1.00 0.69 H new ATOM 0 HB2 HIS A 80 -2.587 -8.111 -12.594 1.00 0.62 H new ATOM 0 HB3 HIS A 80 -1.128 -8.846 -13.230 1.00 0.62 H new ATOM 0 HD2 HIS A 80 0.008 -7.330 -15.395 1.00 0.60 H new ATOM 0 HE1 HIS A 80 -0.856 -3.527 -13.679 1.00 0.62 H new ATOM 0 HE2 HIS A 80 0.501 -4.821 -15.427 1.00 0.60 H new ATOM 1178 N GLY A 81 -4.485 -9.690 -13.337 1.00 0.75 N ATOM 1179 CA GLY A 81 -5.357 -10.823 -12.895 1.00 0.85 C ATOM 1180 C GLY A 81 -5.313 -10.946 -11.370 1.00 0.81 C ATOM 1181 O GLY A 81 -5.560 -9.991 -10.657 1.00 0.84 O ATOM 0 H GLY A 81 -4.650 -8.806 -12.856 1.00 0.75 H new ATOM 0 HA2 GLY A 81 -6.382 -10.656 -13.226 1.00 0.85 H new ATOM 0 HA3 GLY A 81 -5.021 -11.753 -13.354 1.00 0.85 H new ATOM 1185 N SER A 82 -5.004 -12.120 -10.871 1.00 0.85 N ATOM 1186 CA SER A 82 -4.947 -12.322 -9.389 1.00 0.83 C ATOM 1187 C SER A 82 -3.572 -12.867 -8.981 1.00 0.78 C ATOM 1188 O SER A 82 -2.939 -12.341 -8.085 1.00 0.71 O ATOM 1189 CB SER A 82 -6.042 -13.306 -8.958 1.00 0.96 C ATOM 1190 OG SER A 82 -5.967 -14.487 -9.750 1.00 1.05 O ATOM 0 H SER A 82 -4.789 -12.947 -11.427 1.00 0.85 H new ATOM 0 HA SER A 82 -5.107 -11.363 -8.896 1.00 0.83 H new ATOM 0 HB2 SER A 82 -5.925 -13.556 -7.904 1.00 0.96 H new ATOM 0 HB3 SER A 82 -7.023 -12.844 -9.069 1.00 0.96 H new ATOM 0 HG SER A 82 -6.667 -15.113 -9.470 1.00 1.05 H new ATOM 1196 N GLU A 83 -3.109 -13.921 -9.623 1.00 0.85 N ATOM 1197 CA GLU A 83 -1.780 -14.505 -9.261 1.00 0.83 C ATOM 1198 C GLU A 83 -0.664 -13.481 -9.519 1.00 0.72 C ATOM 1199 O GLU A 83 -0.357 -13.143 -10.649 1.00 0.78 O ATOM 1200 CB GLU A 83 -1.525 -15.774 -10.083 1.00 0.98 C ATOM 1201 CG GLU A 83 -0.284 -16.499 -9.542 1.00 1.00 C ATOM 1202 CD GLU A 83 -0.453 -16.797 -8.046 1.00 1.03 C ATOM 1203 OE1 GLU A 83 -1.174 -17.728 -7.723 1.00 1.26 O ATOM 1204 OE2 GLU A 83 0.143 -16.089 -7.250 1.00 0.98 O ATOM 0 H GLU A 83 -3.597 -14.398 -10.381 1.00 0.85 H new ATOM 0 HA GLU A 83 -1.785 -14.762 -8.202 1.00 0.83 H new ATOM 0 HB2 GLU A 83 -2.393 -16.432 -10.034 1.00 0.98 H new ATOM 0 HB3 GLU A 83 -1.379 -15.516 -11.132 1.00 0.98 H new ATOM 0 HG2 GLU A 83 -0.129 -17.428 -10.090 1.00 1.00 H new ATOM 0 HG3 GLU A 83 0.602 -15.885 -9.700 1.00 1.00 H new ATOM 1211 N LEU A 84 -0.063 -12.995 -8.460 1.00 0.62 N ATOM 1212 CA LEU A 84 1.039 -11.993 -8.578 1.00 0.54 C ATOM 1213 C LEU A 84 2.193 -12.393 -7.642 1.00 0.54 C ATOM 1214 O LEU A 84 2.068 -13.303 -6.840 1.00 0.59 O ATOM 1215 CB LEU A 84 0.514 -10.610 -8.171 1.00 0.47 C ATOM 1216 CG LEU A 84 -0.570 -10.150 -9.153 1.00 0.50 C ATOM 1217 CD1 LEU A 84 -1.588 -9.273 -8.418 1.00 0.58 C ATOM 1218 CD2 LEU A 84 0.074 -9.344 -10.284 1.00 0.62 C ATOM 0 H LEU A 84 -0.295 -13.256 -7.502 1.00 0.62 H new ATOM 0 HA LEU A 84 1.395 -11.961 -9.608 1.00 0.54 H new ATOM 0 HB2 LEU A 84 0.108 -10.649 -7.160 1.00 0.47 H new ATOM 0 HB3 LEU A 84 1.333 -9.891 -8.158 1.00 0.47 H new ATOM 0 HG LEU A 84 -1.075 -11.022 -9.569 1.00 0.50 H new ATOM 0 HD11 LEU A 84 -2.358 -8.946 -9.117 1.00 0.58 H new ATOM 0 HD12 LEU A 84 -2.048 -9.846 -7.613 1.00 0.58 H new ATOM 0 HD13 LEU A 84 -1.083 -8.402 -8.001 1.00 0.58 H new ATOM 0 HD21 LEU A 84 -0.697 -9.017 -10.982 1.00 0.62 H new ATOM 0 HD22 LEU A 84 0.580 -8.473 -9.868 1.00 0.62 H new ATOM 0 HD23 LEU A 84 0.798 -9.968 -10.809 1.00 0.62 H new ATOM 1230 N ARG A 85 3.312 -11.717 -7.741 1.00 0.53 N ATOM 1231 CA ARG A 85 4.482 -12.043 -6.865 1.00 0.56 C ATOM 1232 C ARG A 85 5.001 -10.763 -6.199 1.00 0.50 C ATOM 1233 O ARG A 85 4.895 -9.685 -6.751 1.00 0.52 O ATOM 1234 CB ARG A 85 5.595 -12.662 -7.711 1.00 0.66 C ATOM 1235 CG ARG A 85 5.604 -14.180 -7.519 1.00 0.78 C ATOM 1236 CD ARG A 85 6.202 -14.850 -8.759 1.00 0.88 C ATOM 1237 NE ARG A 85 5.297 -14.648 -9.930 1.00 0.84 N ATOM 1238 CZ ARG A 85 4.025 -14.945 -9.843 1.00 0.86 C ATOM 1239 NH1 ARG A 85 3.657 -16.152 -9.495 1.00 1.02 N ATOM 1240 NH2 ARG A 85 3.123 -14.034 -10.099 1.00 0.87 N ATOM 0 H ARG A 85 3.466 -10.949 -8.394 1.00 0.53 H new ATOM 0 HA ARG A 85 4.171 -12.750 -6.096 1.00 0.56 H new ATOM 0 HB2 ARG A 85 5.443 -12.420 -8.763 1.00 0.66 H new ATOM 0 HB3 ARG A 85 6.559 -12.243 -7.423 1.00 0.66 H new ATOM 0 HG2 ARG A 85 6.186 -14.442 -6.635 1.00 0.78 H new ATOM 0 HG3 ARG A 85 4.590 -14.542 -7.351 1.00 0.78 H new ATOM 0 HD2 ARG A 85 7.185 -14.431 -8.971 1.00 0.88 H new ATOM 0 HD3 ARG A 85 6.342 -15.915 -8.576 1.00 0.88 H new ATOM 0 HE ARG A 85 5.672 -14.276 -10.803 1.00 0.84 H new ATOM 0 HH11 ARG A 85 4.361 -16.861 -9.292 1.00 1.02 H new ATOM 0 HH12 ARG A 85 2.666 -16.383 -9.427 1.00 1.02 H new ATOM 0 HH21 ARG A 85 3.411 -13.093 -10.366 1.00 0.87 H new ATOM 0 HH22 ARG A 85 2.132 -14.265 -10.031 1.00 0.87 H new ATOM 1254 N LEU A 86 5.566 -10.876 -5.020 1.00 0.54 N ATOM 1255 CA LEU A 86 6.097 -9.666 -4.319 1.00 0.50 C ATOM 1256 C LEU A 86 7.624 -9.626 -4.437 1.00 0.59 C ATOM 1257 O LEU A 86 8.306 -10.599 -4.164 1.00 0.72 O ATOM 1258 CB LEU A 86 5.695 -9.703 -2.842 1.00 0.50 C ATOM 1259 CG LEU A 86 5.614 -8.271 -2.304 1.00 0.62 C ATOM 1260 CD1 LEU A 86 4.282 -8.066 -1.579 1.00 0.75 C ATOM 1261 CD2 LEU A 86 6.770 -8.026 -1.332 1.00 0.93 C ATOM 0 H LEU A 86 5.682 -11.754 -4.514 1.00 0.54 H new ATOM 0 HA LEU A 86 5.677 -8.773 -4.783 1.00 0.50 H new ATOM 0 HB2 LEU A 86 4.733 -10.202 -2.727 1.00 0.50 H new ATOM 0 HB3 LEU A 86 6.422 -10.278 -2.269 1.00 0.50 H new ATOM 0 HG LEU A 86 5.682 -7.569 -3.135 1.00 0.62 H new ATOM 0 HD11 LEU A 86 4.228 -7.046 -1.198 1.00 0.75 H new ATOM 0 HD12 LEU A 86 3.460 -8.238 -2.273 1.00 0.75 H new ATOM 0 HD13 LEU A 86 4.208 -8.768 -0.749 1.00 0.75 H new ATOM 0 HD21 LEU A 86 6.713 -7.007 -0.949 1.00 0.93 H new ATOM 0 HD22 LEU A 86 6.703 -8.730 -0.503 1.00 0.93 H new ATOM 0 HD23 LEU A 86 7.718 -8.166 -1.851 1.00 0.93 H new ATOM 1273 N ILE A 87 8.160 -8.498 -4.842 1.00 0.61 N ATOM 1274 CA ILE A 87 9.643 -8.361 -4.988 1.00 0.72 C ATOM 1275 C ILE A 87 10.116 -7.070 -4.299 1.00 0.72 C ATOM 1276 O ILE A 87 9.379 -6.103 -4.228 1.00 0.71 O ATOM 1277 CB ILE A 87 10.014 -8.306 -6.480 1.00 0.81 C ATOM 1278 CG1 ILE A 87 9.146 -7.261 -7.200 1.00 0.76 C ATOM 1279 CG2 ILE A 87 9.788 -9.678 -7.119 1.00 0.89 C ATOM 1280 CD1 ILE A 87 9.952 -6.605 -8.324 1.00 0.91 C ATOM 0 H ILE A 87 7.628 -7.661 -5.079 1.00 0.61 H new ATOM 0 HA ILE A 87 10.128 -9.220 -4.523 1.00 0.72 H new ATOM 0 HB ILE A 87 11.064 -8.028 -6.572 1.00 0.81 H new ATOM 0 HG12 ILE A 87 8.254 -7.735 -7.609 1.00 0.76 H new ATOM 0 HG13 ILE A 87 8.809 -6.504 -6.492 1.00 0.76 H new ATOM 0 HG21 ILE A 87 10.052 -9.635 -8.176 1.00 0.89 H new ATOM 0 HG22 ILE A 87 10.411 -10.419 -6.619 1.00 0.89 H new ATOM 0 HG23 ILE A 87 8.739 -9.958 -7.018 1.00 0.89 H new ATOM 0 HD11 ILE A 87 9.333 -5.865 -8.832 1.00 0.91 H new ATOM 0 HD12 ILE A 87 10.831 -6.116 -7.904 1.00 0.91 H new ATOM 0 HD13 ILE A 87 10.267 -7.366 -9.038 1.00 0.91 H new ATOM 1292 N PRO A 88 11.345 -7.088 -3.822 1.00 0.79 N ATOM 1293 CA PRO A 88 11.953 -5.924 -3.149 1.00 0.84 C ATOM 1294 C PRO A 88 12.357 -4.880 -4.199 1.00 0.87 C ATOM 1295 O PRO A 88 13.419 -4.958 -4.792 1.00 1.09 O ATOM 1296 CB PRO A 88 13.176 -6.515 -2.434 1.00 0.96 C ATOM 1297 CG PRO A 88 13.521 -7.828 -3.179 1.00 0.99 C ATOM 1298 CD PRO A 88 12.238 -8.265 -3.914 1.00 0.87 C ATOM 0 HA PRO A 88 11.285 -5.415 -2.454 1.00 0.84 H new ATOM 0 HB2 PRO A 88 14.016 -5.820 -2.461 1.00 0.96 H new ATOM 0 HB3 PRO A 88 12.957 -6.709 -1.384 1.00 0.96 H new ATOM 0 HG2 PRO A 88 14.337 -7.671 -3.884 1.00 0.99 H new ATOM 0 HG3 PRO A 88 13.848 -8.597 -2.479 1.00 0.99 H new ATOM 0 HD2 PRO A 88 12.444 -8.528 -4.952 1.00 0.87 H new ATOM 0 HD3 PRO A 88 11.790 -9.142 -3.446 1.00 0.87 H new ATOM 1306 N ARG A 89 11.498 -3.920 -4.445 1.00 0.80 N ATOM 1307 CA ARG A 89 11.794 -2.875 -5.469 1.00 0.84 C ATOM 1308 C ARG A 89 11.738 -1.483 -4.831 1.00 0.84 C ATOM 1309 O ARG A 89 10.782 -1.140 -4.158 1.00 0.97 O ATOM 1310 CB ARG A 89 10.749 -2.960 -6.588 1.00 1.04 C ATOM 1311 CG ARG A 89 11.440 -3.125 -7.941 1.00 0.73 C ATOM 1312 CD ARG A 89 10.905 -2.082 -8.920 1.00 0.99 C ATOM 1313 NE ARG A 89 11.978 -1.722 -9.889 1.00 1.42 N ATOM 1314 CZ ARG A 89 12.695 -0.645 -9.705 1.00 2.27 C ATOM 1315 NH1 ARG A 89 13.669 -0.654 -8.840 1.00 2.94 N ATOM 1316 NH2 ARG A 89 12.426 0.441 -10.381 1.00 2.98 N ATOM 0 H ARG A 89 10.598 -3.817 -3.975 1.00 0.80 H new ATOM 0 HA ARG A 89 12.792 -3.042 -5.875 1.00 0.84 H new ATOM 0 HB2 ARG A 89 10.080 -3.801 -6.408 1.00 1.04 H new ATOM 0 HB3 ARG A 89 10.135 -2.059 -6.592 1.00 1.04 H new ATOM 0 HG2 ARG A 89 12.518 -3.012 -7.826 1.00 0.73 H new ATOM 0 HG3 ARG A 89 11.265 -4.128 -8.330 1.00 0.73 H new ATOM 0 HD2 ARG A 89 10.037 -2.475 -9.450 1.00 0.99 H new ATOM 0 HD3 ARG A 89 10.574 -1.195 -8.380 1.00 0.99 H new ATOM 0 HE ARG A 89 12.153 -2.318 -10.698 1.00 1.42 H new ATOM 0 HH11 ARG A 89 13.871 -1.501 -8.308 1.00 2.94 H new ATOM 0 HH12 ARG A 89 14.230 0.185 -8.695 1.00 2.94 H new ATOM 0 HH21 ARG A 89 11.657 0.447 -11.051 1.00 2.98 H new ATOM 0 HH22 ARG A 89 12.985 1.282 -10.238 1.00 2.98 H new ATOM 1330 N ASP A 90 12.751 -0.674 -5.051 1.00 0.82 N ATOM 1331 CA ASP A 90 12.748 0.706 -4.470 1.00 0.92 C ATOM 1332 C ASP A 90 11.659 1.536 -5.157 1.00 1.17 C ATOM 1333 O ASP A 90 11.369 1.349 -6.327 1.00 1.36 O ATOM 1334 CB ASP A 90 14.120 1.376 -4.671 1.00 1.14 C ATOM 1335 CG ASP A 90 14.479 1.432 -6.161 1.00 1.44 C ATOM 1336 OD1 ASP A 90 14.091 2.389 -6.811 1.00 1.81 O ATOM 1337 OD2 ASP A 90 15.145 0.520 -6.624 1.00 1.38 O ATOM 0 H ASP A 90 13.574 -0.910 -5.605 1.00 0.82 H new ATOM 0 HA ASP A 90 12.547 0.645 -3.400 1.00 0.92 H new ATOM 0 HB2 ASP A 90 14.103 2.384 -4.257 1.00 1.14 H new ATOM 0 HB3 ASP A 90 14.885 0.821 -4.127 1.00 1.14 H new ATOM 1342 N ARG A 91 11.048 2.444 -4.436 1.00 1.30 N ATOM 1343 CA ARG A 91 9.968 3.283 -5.038 1.00 1.68 C ATOM 1344 C ARG A 91 10.554 4.615 -5.521 1.00 1.89 C ATOM 1345 O ARG A 91 11.040 5.412 -4.736 1.00 1.93 O ATOM 1346 CB ARG A 91 8.884 3.540 -3.986 1.00 1.84 C ATOM 1347 CG ARG A 91 7.510 3.582 -4.658 1.00 1.87 C ATOM 1348 CD ARG A 91 7.007 2.153 -4.878 1.00 1.91 C ATOM 1349 NE ARG A 91 6.772 1.933 -6.334 1.00 1.66 N ATOM 1350 CZ ARG A 91 7.250 0.869 -6.922 1.00 1.60 C ATOM 1351 NH1 ARG A 91 6.649 -0.284 -6.773 1.00 1.93 N ATOM 1352 NH2 ARG A 91 8.332 0.960 -7.656 1.00 1.70 N ATOM 0 H ARG A 91 11.251 2.640 -3.456 1.00 1.30 H new ATOM 0 HA ARG A 91 9.531 2.761 -5.889 1.00 1.68 H new ATOM 0 HB2 ARG A 91 8.905 2.756 -3.229 1.00 1.84 H new ATOM 0 HB3 ARG A 91 9.078 4.482 -3.474 1.00 1.84 H new ATOM 0 HG2 ARG A 91 6.806 4.135 -4.037 1.00 1.87 H new ATOM 0 HG3 ARG A 91 7.575 4.107 -5.611 1.00 1.87 H new ATOM 0 HD2 ARG A 91 7.738 1.436 -4.503 1.00 1.91 H new ATOM 0 HD3 ARG A 91 6.085 1.990 -4.320 1.00 1.91 H new ATOM 0 HE ARG A 91 6.237 2.615 -6.872 1.00 1.66 H new ATOM 0 HH11 ARG A 91 5.809 -0.351 -6.199 1.00 1.93 H new ATOM 0 HH12 ARG A 91 7.021 -1.116 -7.231 1.00 1.93 H new ATOM 0 HH21 ARG A 91 8.799 1.860 -7.767 1.00 1.70 H new ATOM 0 HH22 ARG A 91 8.707 0.131 -8.116 1.00 1.70 H new ATOM 1366 N VAL A 92 10.506 4.858 -6.812 1.00 2.19 N ATOM 1367 CA VAL A 92 11.051 6.136 -7.369 1.00 2.55 C ATOM 1368 C VAL A 92 9.883 7.074 -7.708 1.00 3.14 C ATOM 1369 O VAL A 92 9.435 7.147 -8.841 1.00 3.39 O ATOM 1370 CB VAL A 92 11.878 5.846 -8.634 1.00 2.52 C ATOM 1371 CG1 VAL A 92 12.456 7.155 -9.189 1.00 2.98 C ATOM 1372 CG2 VAL A 92 13.025 4.888 -8.293 1.00 2.15 C ATOM 0 H VAL A 92 10.111 4.222 -7.505 1.00 2.19 H new ATOM 0 HA VAL A 92 11.697 6.611 -6.631 1.00 2.55 H new ATOM 0 HB VAL A 92 11.233 5.389 -9.384 1.00 2.52 H new ATOM 0 HG11 VAL A 92 13.041 6.944 -10.084 1.00 2.98 H new ATOM 0 HG12 VAL A 92 11.642 7.835 -9.439 1.00 2.98 H new ATOM 0 HG13 VAL A 92 13.097 7.617 -8.438 1.00 2.98 H new ATOM 0 HG21 VAL A 92 13.608 4.685 -9.191 1.00 2.15 H new ATOM 0 HG22 VAL A 92 13.667 5.343 -7.538 1.00 2.15 H new ATOM 0 HG23 VAL A 92 12.616 3.954 -7.907 1.00 2.15 H new ATOM 1382 N GLY A 93 9.390 7.794 -6.728 1.00 3.52 N ATOM 1383 CA GLY A 93 8.255 8.736 -6.971 1.00 4.17 C ATOM 1384 C GLY A 93 8.759 10.178 -6.865 1.00 4.57 C ATOM 1385 O GLY A 93 8.175 10.997 -6.180 1.00 4.87 O ATOM 0 H GLY A 93 9.728 7.768 -5.766 1.00 3.52 H new ATOM 0 HA2 GLY A 93 7.827 8.560 -7.958 1.00 4.17 H new ATOM 0 HA3 GLY A 93 7.462 8.562 -6.244 1.00 4.17 H new ATOM 1389 N HIS A 94 9.843 10.488 -7.534 1.00 4.71 N ATOM 1390 CA HIS A 94 10.404 11.874 -7.479 1.00 5.21 C ATOM 1391 C HIS A 94 11.183 12.183 -8.770 1.00 5.59 C ATOM 1392 O HIS A 94 11.802 11.276 -9.312 1.00 5.34 O ATOM 1393 CB HIS A 94 11.339 12.001 -6.266 1.00 4.96 C ATOM 1394 CG HIS A 94 12.324 10.859 -6.250 1.00 4.29 C ATOM 1395 ND1 HIS A 94 13.560 10.936 -6.874 1.00 4.30 N ATOM 1396 CD2 HIS A 94 12.263 9.607 -5.694 1.00 3.79 C ATOM 1397 CE1 HIS A 94 14.185 9.762 -6.680 1.00 3.86 C ATOM 1398 NE2 HIS A 94 13.440 8.916 -5.966 1.00 3.53 N ATOM 1399 OXT HIS A 94 11.149 13.327 -9.195 1.00 6.21 O ATOM 0 H HIS A 94 10.366 9.836 -8.119 1.00 4.71 H new ATOM 0 HA HIS A 94 9.585 12.586 -7.383 1.00 5.21 H new ATOM 0 HB2 HIS A 94 11.872 12.951 -6.306 1.00 4.96 H new ATOM 0 HB3 HIS A 94 10.755 12.001 -5.345 1.00 4.96 H new ATOM 0 HD2 HIS A 94 11.428 9.217 -5.131 1.00 3.79 H new ATOM 0 HE1 HIS A 94 15.171 9.531 -7.056 1.00 3.86 H new ATOM 0 HE2 HIS A 94 13.681 7.967 -5.681 1.00 3.53 H new TER 1407 HIS A 94