USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 898 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 80 HIS :FLIP no HD1:sc= -0.205 F(o=-0.88,f=-0.21) USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 53 THR OG1 : rot -28:sc= 0.991 USER MOD Set 2.2: A 54 THR OG1 : rot -170:sc= -0.856 USER MOD Set 2.3: A 61 SER OG : rot 148:sc= 1.29 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-2.1) USER MOD Single : A 7 HIS : no HD1:sc=-0.000254 X(o=-0.00025,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 9 HIS : no HD1:sc= -0.0978 K(o=-0.098,f=-0.88) USER MOD Single : A 10 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.088) USER MOD Single : A 11 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.21) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 160:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= -0.036 (180deg=-0.265) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.0052) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -160:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= 0.0292 K(o=0.029,f=-3.5!) USER MOD Single : A 86 CYS SG : rot 130:sc= -0.462 USER MOD Single : A 93 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0.027) USER MOD Single : A 95 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.12) USER MOD Single : A 99 GLN : amide:sc= -2.68 K(o=-2.7,f=-7.7!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= -2.72 USER MOD Single : A 106 GLN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 108 THR OG1 : rot 83:sc= 1.06 USER MOD Single : A 110 GLN : amide:sc= -0.0492 K(o=-0.049,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.207 5.251 -24.615 1.00 0.00 N ATOM 2 CA MET A 1 -23.316 6.255 -23.526 1.00 0.00 C ATOM 3 C MET A 1 -22.562 7.534 -23.877 1.00 0.00 C ATOM 4 O MET A 1 -23.122 8.630 -23.830 1.00 0.00 O ATOM 5 CB MET A 1 -22.749 5.645 -22.243 1.00 0.00 C ATOM 6 CG MET A 1 -23.128 6.412 -20.986 1.00 0.00 C ATOM 7 SD MET A 1 -21.808 6.425 -19.757 1.00 0.00 S ATOM 8 CE MET A 1 -21.745 8.167 -19.347 1.00 0.00 C ATOM 0 H1 MET A 1 -23.729 4.392 -24.349 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.609 5.643 -25.490 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.206 5.014 -24.770 1.00 0.00 H new ATOM 0 HA MET A 1 -24.364 6.519 -23.387 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.102 4.618 -22.152 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.662 5.603 -22.320 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.381 7.438 -21.253 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.022 5.967 -20.549 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.973 8.336 -18.596 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.513 8.743 -20.242 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.711 8.483 -18.953 1.00 0.00 H new ATOM 20 N LYS A 2 -21.290 7.387 -24.231 1.00 0.00 N ATOM 21 CA LYS A 2 -20.459 8.530 -24.590 1.00 0.00 C ATOM 22 C LYS A 2 -21.039 9.267 -25.794 1.00 0.00 C ATOM 23 O LYS A 2 -22.039 8.841 -26.372 1.00 0.00 O ATOM 24 CB LYS A 2 -19.032 8.073 -24.898 1.00 0.00 C ATOM 25 CG LYS A 2 -18.966 6.844 -25.792 1.00 0.00 C ATOM 26 CD LYS A 2 -17.863 6.967 -26.830 1.00 0.00 C ATOM 27 CE LYS A 2 -18.409 7.438 -28.169 1.00 0.00 C ATOM 28 NZ LYS A 2 -17.604 6.921 -29.310 1.00 0.00 N ATOM 0 H LYS A 2 -20.812 6.487 -24.277 1.00 0.00 H new ATOM 0 HA LYS A 2 -20.439 9.214 -23.742 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -18.493 8.890 -25.378 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -18.518 7.859 -23.961 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -18.795 5.958 -25.181 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.924 6.706 -26.293 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -17.106 7.668 -26.477 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.370 6.003 -26.955 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.443 7.109 -28.276 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.417 8.528 -28.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.009 7.265 -30.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.623 7.256 -29.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.617 5.881 -29.301 1.00 0.00 H new ATOM 42 N GLY A 3 -20.405 10.374 -26.164 1.00 0.00 N ATOM 43 CA GLY A 3 -20.873 11.153 -27.296 1.00 0.00 C ATOM 44 C GLY A 3 -22.040 12.052 -26.940 1.00 0.00 C ATOM 45 O GLY A 3 -22.948 12.250 -27.747 1.00 0.00 O ATOM 0 H GLY A 3 -19.576 10.746 -25.701 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -20.053 11.762 -27.678 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -21.170 10.478 -28.099 1.00 0.00 H new ATOM 49 N SER A 4 -22.017 12.596 -25.728 1.00 0.00 N ATOM 50 CA SER A 4 -23.082 13.479 -25.266 1.00 0.00 C ATOM 51 C SER A 4 -24.424 12.754 -25.257 1.00 0.00 C ATOM 52 O SER A 4 -24.983 12.447 -26.310 1.00 0.00 O ATOM 53 CB SER A 4 -23.167 14.720 -26.157 1.00 0.00 C ATOM 54 OG SER A 4 -21.885 15.289 -26.362 1.00 0.00 O ATOM 0 H SER A 4 -21.273 12.441 -25.048 1.00 0.00 H new ATOM 0 HA SER A 4 -22.848 13.787 -24.247 1.00 0.00 H new ATOM 0 HB2 SER A 4 -23.608 14.453 -27.117 1.00 0.00 H new ATOM 0 HB3 SER A 4 -23.826 15.457 -25.698 1.00 0.00 H new ATOM 0 HG SER A 4 -21.966 16.079 -26.936 1.00 0.00 H new ATOM 60 N SER A 5 -24.936 12.483 -24.060 1.00 0.00 N ATOM 61 CA SER A 5 -26.213 11.794 -23.913 1.00 0.00 C ATOM 62 C SER A 5 -27.340 12.594 -24.559 1.00 0.00 C ATOM 63 O SER A 5 -27.944 12.155 -25.537 1.00 0.00 O ATOM 64 CB SER A 5 -26.522 11.558 -22.433 1.00 0.00 C ATOM 65 OG SER A 5 -26.038 10.298 -22.006 1.00 0.00 O ATOM 0 H SER A 5 -24.486 12.730 -23.179 1.00 0.00 H new ATOM 0 HA SER A 5 -26.139 10.831 -24.419 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.069 12.347 -21.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.598 11.612 -22.270 1.00 0.00 H new ATOM 0 HG SER A 5 -26.246 10.172 -21.057 1.00 0.00 H new ATOM 71 N HIS A 6 -27.618 13.769 -24.005 1.00 0.00 N ATOM 72 CA HIS A 6 -28.673 14.630 -24.526 1.00 0.00 C ATOM 73 C HIS A 6 -28.247 15.275 -25.842 1.00 0.00 C ATOM 74 O HIS A 6 -27.532 16.277 -25.850 1.00 0.00 O ATOM 75 CB HIS A 6 -29.028 15.712 -23.506 1.00 0.00 C ATOM 76 CG HIS A 6 -27.864 16.565 -23.108 1.00 0.00 C ATOM 77 ND1 HIS A 6 -26.945 16.185 -22.150 1.00 0.00 N ATOM 78 CD2 HIS A 6 -27.468 17.784 -23.543 1.00 0.00 C ATOM 79 CE1 HIS A 6 -26.037 17.135 -22.013 1.00 0.00 C ATOM 80 NE2 HIS A 6 -26.331 18.116 -22.847 1.00 0.00 N ATOM 0 H HIS A 6 -27.127 14.147 -23.195 1.00 0.00 H new ATOM 0 HA HIS A 6 -29.553 14.014 -24.711 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -29.809 16.349 -23.921 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -29.442 15.239 -22.616 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -27.955 18.384 -24.297 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -25.197 17.113 -21.334 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -25.800 18.980 -22.957 1.00 0.00 H new ATOM 89 N HIS A 7 -28.693 14.694 -26.951 1.00 0.00 N ATOM 90 CA HIS A 7 -28.359 15.212 -28.272 1.00 0.00 C ATOM 91 C HIS A 7 -29.380 16.253 -28.721 1.00 0.00 C ATOM 92 O HIS A 7 -30.513 16.274 -28.240 1.00 0.00 O ATOM 93 CB HIS A 7 -28.290 14.070 -29.288 1.00 0.00 C ATOM 94 CG HIS A 7 -26.960 13.950 -29.965 1.00 0.00 C ATOM 95 ND1 HIS A 7 -26.778 14.175 -31.314 1.00 0.00 N ATOM 96 CD2 HIS A 7 -25.741 13.628 -29.472 1.00 0.00 C ATOM 97 CE1 HIS A 7 -25.505 13.994 -31.621 1.00 0.00 C ATOM 98 NE2 HIS A 7 -24.855 13.663 -30.520 1.00 0.00 N ATOM 0 H HIS A 7 -29.286 13.864 -26.961 1.00 0.00 H new ATOM 0 HA HIS A 7 -27.382 15.692 -28.212 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -28.517 13.131 -28.783 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -29.061 14.220 -30.044 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -25.509 13.388 -28.445 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -25.071 14.099 -32.604 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -23.856 13.465 -30.458 1.00 0.00 H new ATOM 107 N HIS A 8 -28.971 17.115 -29.647 1.00 0.00 N ATOM 108 CA HIS A 8 -29.851 18.159 -30.162 1.00 0.00 C ATOM 109 C HIS A 8 -29.165 18.953 -31.268 1.00 0.00 C ATOM 110 O HIS A 8 -29.785 19.301 -32.272 1.00 0.00 O ATOM 111 CB HIS A 8 -30.276 19.099 -29.032 1.00 0.00 C ATOM 112 CG HIS A 8 -31.314 20.096 -29.443 1.00 0.00 C ATOM 113 ND1 HIS A 8 -31.249 21.433 -29.108 1.00 0.00 N ATOM 114 CD2 HIS A 8 -32.448 19.948 -30.168 1.00 0.00 C ATOM 115 CE1 HIS A 8 -32.298 22.062 -29.607 1.00 0.00 C ATOM 116 NE2 HIS A 8 -33.040 21.184 -30.254 1.00 0.00 N ATOM 0 H HIS A 8 -28.037 17.111 -30.056 1.00 0.00 H new ATOM 0 HA HIS A 8 -30.736 17.680 -30.580 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -30.661 18.506 -28.203 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -29.399 19.631 -28.663 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -32.818 19.029 -30.598 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -32.512 23.116 -29.503 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -33.913 21.390 -30.740 1.00 0.00 H new ATOM 125 N HIS A 9 -27.880 19.236 -31.077 1.00 0.00 N ATOM 126 CA HIS A 9 -27.109 19.990 -32.060 1.00 0.00 C ATOM 127 C HIS A 9 -27.085 19.267 -33.402 1.00 0.00 C ATOM 128 O HIS A 9 -26.733 18.090 -33.479 1.00 0.00 O ATOM 129 CB HIS A 9 -25.680 20.208 -31.559 1.00 0.00 C ATOM 130 CG HIS A 9 -24.916 18.936 -31.356 1.00 0.00 C ATOM 131 ND1 HIS A 9 -25.074 18.132 -30.247 1.00 0.00 N ATOM 132 CD2 HIS A 9 -23.985 18.330 -32.129 1.00 0.00 C ATOM 133 CE1 HIS A 9 -24.272 17.087 -30.347 1.00 0.00 C ATOM 134 NE2 HIS A 9 -23.601 17.184 -31.479 1.00 0.00 N ATOM 0 H HIS A 9 -27.351 18.955 -30.251 1.00 0.00 H new ATOM 0 HA HIS A 9 -27.590 20.958 -32.198 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -25.145 20.834 -32.273 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -25.713 20.756 -30.618 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -23.614 18.682 -33.080 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.181 16.289 -29.625 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -22.909 16.515 -31.816 1.00 0.00 H new ATOM 143 N HIS A 10 -27.460 19.981 -34.459 1.00 0.00 N ATOM 144 CA HIS A 10 -27.481 19.408 -35.800 1.00 0.00 C ATOM 145 C HIS A 10 -27.189 20.474 -36.851 1.00 0.00 C ATOM 146 O HIS A 10 -28.106 21.049 -37.437 1.00 0.00 O ATOM 147 CB HIS A 10 -28.838 18.758 -36.078 1.00 0.00 C ATOM 148 CG HIS A 10 -29.025 17.444 -35.385 1.00 0.00 C ATOM 149 ND1 HIS A 10 -28.330 16.305 -35.732 1.00 0.00 N ATOM 150 CD2 HIS A 10 -29.835 17.090 -34.360 1.00 0.00 C ATOM 151 CE1 HIS A 10 -28.705 15.307 -34.951 1.00 0.00 C ATOM 152 NE2 HIS A 10 -29.617 15.758 -34.109 1.00 0.00 N ATOM 0 H HIS A 10 -27.753 20.957 -34.413 1.00 0.00 H new ATOM 0 HA HIS A 10 -26.703 18.646 -35.856 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -29.629 19.440 -35.766 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -28.948 18.612 -37.152 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -30.525 17.736 -33.837 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -28.330 14.295 -34.994 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -30.084 15.206 -33.389 1.00 0.00 H new ATOM 161 N HIS A 11 -25.906 20.731 -37.086 1.00 0.00 N ATOM 162 CA HIS A 11 -25.494 21.728 -38.066 1.00 0.00 C ATOM 163 C HIS A 11 -26.025 23.108 -37.696 1.00 0.00 C ATOM 164 O HIS A 11 -26.353 23.913 -38.569 1.00 0.00 O ATOM 165 CB HIS A 11 -25.987 21.335 -39.461 1.00 0.00 C ATOM 166 CG HIS A 11 -25.297 22.071 -40.568 1.00 0.00 C ATOM 167 ND1 HIS A 11 -25.918 22.398 -41.756 1.00 0.00 N ATOM 168 CD2 HIS A 11 -24.033 22.544 -40.664 1.00 0.00 C ATOM 169 CE1 HIS A 11 -25.064 23.040 -42.534 1.00 0.00 C ATOM 170 NE2 HIS A 11 -23.914 23.141 -41.895 1.00 0.00 N ATOM 0 H HIS A 11 -25.135 20.262 -36.611 1.00 0.00 H new ATOM 0 HA HIS A 11 -24.405 21.768 -38.070 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -25.841 20.264 -39.601 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -27.059 21.521 -39.525 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -23.261 22.466 -39.912 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -25.272 23.418 -43.524 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -23.073 23.590 -42.257 1.00 0.00 H new ATOM 179 N SER A 12 -26.105 23.377 -36.397 1.00 0.00 N ATOM 180 CA SER A 12 -26.597 24.661 -35.911 1.00 0.00 C ATOM 181 C SER A 12 -25.450 25.652 -35.740 1.00 0.00 C ATOM 182 O SER A 12 -25.503 26.771 -36.250 1.00 0.00 O ATOM 183 CB SER A 12 -27.333 24.479 -34.582 1.00 0.00 C ATOM 184 OG SER A 12 -28.354 25.448 -34.428 1.00 0.00 O ATOM 0 H SER A 12 -25.835 22.723 -35.662 1.00 0.00 H new ATOM 0 HA SER A 12 -27.291 25.060 -36.650 1.00 0.00 H new ATOM 0 HB2 SER A 12 -27.766 23.480 -34.536 1.00 0.00 H new ATOM 0 HB3 SER A 12 -26.625 24.558 -33.757 1.00 0.00 H new ATOM 0 HG SER A 12 -28.810 25.309 -33.572 1.00 0.00 H new ATOM 190 N SER A 13 -24.415 25.234 -35.019 1.00 0.00 N ATOM 191 CA SER A 13 -23.256 26.085 -34.779 1.00 0.00 C ATOM 192 C SER A 13 -22.287 26.027 -35.957 1.00 0.00 C ATOM 193 O SER A 13 -22.361 25.124 -36.790 1.00 0.00 O ATOM 194 CB SER A 13 -22.542 25.662 -33.494 1.00 0.00 C ATOM 195 OG SER A 13 -21.686 26.689 -33.025 1.00 0.00 O ATOM 0 H SER A 13 -24.355 24.310 -34.591 1.00 0.00 H new ATOM 0 HA SER A 13 -23.606 27.111 -34.669 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.278 25.420 -32.728 1.00 0.00 H new ATOM 0 HB3 SER A 13 -21.963 24.757 -33.677 1.00 0.00 H new ATOM 0 HG SER A 13 -21.495 26.547 -32.074 1.00 0.00 H new ATOM 201 N GLY A 14 -21.379 26.994 -36.017 1.00 0.00 N ATOM 202 CA GLY A 14 -20.409 27.035 -37.095 1.00 0.00 C ATOM 203 C GLY A 14 -19.037 26.557 -36.660 1.00 0.00 C ATOM 204 O GLY A 14 -18.447 25.682 -37.294 1.00 0.00 O ATOM 0 H GLY A 14 -21.297 27.751 -35.338 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -20.761 26.416 -37.920 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -20.332 28.055 -37.472 1.00 0.00 H new ATOM 208 N ALA A 15 -18.529 27.133 -35.574 1.00 0.00 N ATOM 209 CA ALA A 15 -17.218 26.761 -35.055 1.00 0.00 C ATOM 210 C ALA A 15 -17.295 26.410 -33.573 1.00 0.00 C ATOM 211 O ALA A 15 -17.185 27.283 -32.712 1.00 0.00 O ATOM 212 CB ALA A 15 -16.223 27.888 -35.281 1.00 0.00 C ATOM 0 H ALA A 15 -19.005 27.858 -35.037 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.878 25.877 -35.594 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.248 27.597 -34.889 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.139 28.090 -36.349 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.567 28.786 -34.768 1.00 0.00 H new ATOM 218 N SER A 16 -17.485 25.127 -33.283 1.00 0.00 N ATOM 219 CA SER A 16 -17.577 24.661 -31.904 1.00 0.00 C ATOM 220 C SER A 16 -16.939 23.283 -31.751 1.00 0.00 C ATOM 221 O SER A 16 -17.549 22.266 -32.080 1.00 0.00 O ATOM 222 CB SER A 16 -19.038 24.611 -31.456 1.00 0.00 C ATOM 223 OG SER A 16 -19.169 24.984 -30.096 1.00 0.00 O ATOM 0 H SER A 16 -17.578 24.392 -33.984 1.00 0.00 H new ATOM 0 HA SER A 16 -17.035 25.365 -31.273 1.00 0.00 H new ATOM 0 HB2 SER A 16 -19.635 25.278 -32.078 1.00 0.00 H new ATOM 0 HB3 SER A 16 -19.431 23.604 -31.599 1.00 0.00 H new ATOM 0 HG SER A 16 -20.113 24.945 -29.836 1.00 0.00 H new ATOM 229 N LEU A 17 -15.707 23.260 -31.251 1.00 0.00 N ATOM 230 CA LEU A 17 -14.987 22.007 -31.056 1.00 0.00 C ATOM 231 C LEU A 17 -14.342 21.962 -29.672 1.00 0.00 C ATOM 232 O LEU A 17 -13.132 21.775 -29.545 1.00 0.00 O ATOM 233 CB LEU A 17 -13.919 21.835 -32.138 1.00 0.00 C ATOM 234 CG LEU A 17 -14.430 21.280 -33.469 1.00 0.00 C ATOM 235 CD1 LEU A 17 -13.513 21.698 -34.608 1.00 0.00 C ATOM 236 CD2 LEU A 17 -14.547 19.766 -33.404 1.00 0.00 C ATOM 0 H LEU A 17 -15.188 24.093 -30.974 1.00 0.00 H new ATOM 0 HA LEU A 17 -15.702 21.188 -31.130 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -13.450 22.802 -32.321 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.143 21.171 -31.759 1.00 0.00 H new ATOM 0 HG LEU A 17 -15.421 21.693 -33.658 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.892 21.294 -35.547 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.480 22.786 -34.668 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.509 21.314 -34.427 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.912 19.388 -34.359 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.569 19.334 -33.193 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -15.244 19.489 -32.614 1.00 0.00 H new ATOM 248 N VAL A 18 -15.160 22.135 -28.639 1.00 0.00 N ATOM 249 CA VAL A 18 -14.671 22.114 -27.265 1.00 0.00 C ATOM 250 C VAL A 18 -15.230 20.915 -26.501 1.00 0.00 C ATOM 251 O VAL A 18 -16.276 21.011 -25.859 1.00 0.00 O ATOM 252 CB VAL A 18 -15.045 23.406 -26.515 1.00 0.00 C ATOM 253 CG1 VAL A 18 -14.395 23.435 -25.140 1.00 0.00 C ATOM 254 CG2 VAL A 18 -14.648 24.631 -27.326 1.00 0.00 C ATOM 0 H VAL A 18 -16.164 22.291 -28.727 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.585 22.035 -27.317 1.00 0.00 H new ATOM 0 HB VAL A 18 -16.126 23.423 -26.380 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.671 24.356 -24.626 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -14.736 22.578 -24.558 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.311 23.392 -25.249 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.921 25.534 -26.779 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.571 24.621 -27.496 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.167 24.617 -28.284 1.00 0.00 H new ATOM 264 N PRO A 19 -14.537 19.765 -26.562 1.00 0.00 N ATOM 265 CA PRO A 19 -14.970 18.545 -25.872 1.00 0.00 C ATOM 266 C PRO A 19 -15.260 18.787 -24.394 1.00 0.00 C ATOM 267 O PRO A 19 -14.800 19.771 -23.814 1.00 0.00 O ATOM 268 CB PRO A 19 -13.777 17.601 -26.034 1.00 0.00 C ATOM 269 CG PRO A 19 -13.086 18.072 -27.267 1.00 0.00 C ATOM 270 CD PRO A 19 -13.279 19.564 -27.305 1.00 0.00 C ATOM 0 HA PRO A 19 -15.900 18.153 -26.284 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.116 17.646 -25.168 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.102 16.565 -26.133 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.027 17.816 -27.243 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.508 17.601 -28.155 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.447 20.089 -26.836 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.353 19.934 -28.328 1.00 0.00 H new ATOM 278 N ARG A 20 -16.026 17.884 -23.791 1.00 0.00 N ATOM 279 CA ARG A 20 -16.378 17.999 -22.381 1.00 0.00 C ATOM 280 C ARG A 20 -15.891 16.784 -21.597 1.00 0.00 C ATOM 281 O ARG A 20 -15.230 15.903 -22.147 1.00 0.00 O ATOM 282 CB ARG A 20 -17.893 18.148 -22.223 1.00 0.00 C ATOM 283 CG ARG A 20 -18.364 19.594 -22.214 1.00 0.00 C ATOM 284 CD ARG A 20 -18.574 20.103 -20.798 1.00 0.00 C ATOM 285 NE ARG A 20 -17.309 20.304 -20.095 1.00 0.00 N ATOM 286 CZ ARG A 20 -17.203 20.397 -18.771 1.00 0.00 C ATOM 287 NH1 ARG A 20 -18.282 20.307 -18.004 1.00 0.00 N ATOM 288 NH2 ARG A 20 -16.014 20.579 -18.213 1.00 0.00 N ATOM 0 H ARG A 20 -16.415 17.064 -24.257 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.888 18.887 -21.981 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.389 17.618 -23.036 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.202 17.668 -21.295 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.630 20.220 -22.721 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.296 19.678 -22.774 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.125 21.043 -20.829 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.187 19.392 -20.244 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.457 20.377 -20.651 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.199 20.166 -18.428 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.195 20.379 -16.990 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.181 20.648 -18.798 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.932 20.650 -17.199 1.00 0.00 H new ATOM 302 N GLY A 21 -16.221 16.745 -20.310 1.00 0.00 N ATOM 303 CA GLY A 21 -15.808 15.634 -19.473 1.00 0.00 C ATOM 304 C GLY A 21 -16.964 15.032 -18.696 1.00 0.00 C ATOM 305 O GLY A 21 -18.115 15.110 -19.124 1.00 0.00 O ATOM 0 H GLY A 21 -16.767 17.462 -19.832 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.352 14.864 -20.095 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.043 15.974 -18.775 1.00 0.00 H new ATOM 309 N SER A 22 -16.656 14.432 -17.552 1.00 0.00 N ATOM 310 CA SER A 22 -17.677 13.815 -16.713 1.00 0.00 C ATOM 311 C SER A 22 -17.643 14.391 -15.301 1.00 0.00 C ATOM 312 O SER A 22 -16.589 14.449 -14.668 1.00 0.00 O ATOM 313 CB SER A 22 -17.477 12.298 -16.662 1.00 0.00 C ATOM 314 OG SER A 22 -17.117 11.789 -17.934 1.00 0.00 O ATOM 0 H SER A 22 -15.707 14.360 -17.184 1.00 0.00 H new ATOM 0 HA SER A 22 -18.651 14.032 -17.151 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.701 12.054 -15.936 1.00 0.00 H new ATOM 0 HB3 SER A 22 -18.394 11.818 -16.321 1.00 0.00 H new ATOM 0 HG SER A 22 -16.993 10.819 -17.875 1.00 0.00 H new ATOM 320 N GLU A 23 -18.804 14.818 -14.812 1.00 0.00 N ATOM 321 CA GLU A 23 -18.908 15.390 -13.476 1.00 0.00 C ATOM 322 C GLU A 23 -19.776 14.516 -12.575 1.00 0.00 C ATOM 323 O GLU A 23 -20.819 14.018 -12.997 1.00 0.00 O ATOM 324 CB GLU A 23 -19.486 16.804 -13.547 1.00 0.00 C ATOM 325 CG GLU A 23 -19.237 17.627 -12.294 1.00 0.00 C ATOM 326 CD GLU A 23 -19.199 19.117 -12.574 1.00 0.00 C ATOM 327 OE1 GLU A 23 -19.987 19.581 -13.425 1.00 0.00 O ATOM 328 OE2 GLU A 23 -18.381 19.819 -11.943 1.00 0.00 O ATOM 0 H GLU A 23 -19.686 14.778 -15.323 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.906 15.436 -13.049 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.054 17.322 -14.403 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -20.560 16.740 -13.722 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -20.020 17.418 -11.565 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -18.292 17.321 -11.844 1.00 0.00 H new ATOM 335 N GLY A 24 -19.338 14.336 -11.334 1.00 0.00 N ATOM 336 CA GLY A 24 -20.088 13.524 -10.394 1.00 0.00 C ATOM 337 C GLY A 24 -19.443 12.174 -10.151 1.00 0.00 C ATOM 338 O GLY A 24 -20.128 11.198 -9.843 1.00 0.00 O ATOM 0 H GLY A 24 -18.477 14.738 -10.962 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -20.176 14.057 -9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -21.100 13.377 -10.772 1.00 0.00 H new ATOM 342 N ALA A 25 -18.123 12.117 -10.291 1.00 0.00 N ATOM 343 CA ALA A 25 -17.385 10.876 -10.085 1.00 0.00 C ATOM 344 C ALA A 25 -16.024 11.145 -9.452 1.00 0.00 C ATOM 345 O ALA A 25 -15.520 12.267 -9.495 1.00 0.00 O ATOM 346 CB ALA A 25 -17.219 10.136 -11.403 1.00 0.00 C ATOM 0 H ALA A 25 -17.542 12.916 -10.546 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.958 10.251 -9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.666 9.212 -11.234 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.201 9.902 -11.815 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -16.671 10.763 -12.106 1.00 0.00 H new ATOM 352 N ALA A 26 -15.435 10.108 -8.866 1.00 0.00 N ATOM 353 CA ALA A 26 -14.131 10.233 -8.225 1.00 0.00 C ATOM 354 C ALA A 26 -13.016 9.751 -9.146 1.00 0.00 C ATOM 355 O ALA A 26 -11.972 9.291 -8.683 1.00 0.00 O ATOM 356 CB ALA A 26 -14.111 9.456 -6.917 1.00 0.00 C ATOM 0 H ALA A 26 -15.839 9.173 -8.822 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.958 11.288 -8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.132 9.557 -6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.876 9.850 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.311 8.403 -7.116 1.00 0.00 H new ATOM 362 N THR A 27 -13.240 9.863 -10.451 1.00 0.00 N ATOM 363 CA THR A 27 -12.250 9.441 -11.434 1.00 0.00 C ATOM 364 C THR A 27 -10.942 10.202 -11.239 1.00 0.00 C ATOM 365 O THR A 27 -9.861 9.683 -11.517 1.00 0.00 O ATOM 366 CB THR A 27 -12.779 9.664 -12.851 1.00 0.00 C ATOM 367 OG1 THR A 27 -14.167 9.390 -12.918 1.00 0.00 O ATOM 368 CG2 THR A 27 -12.091 8.804 -13.889 1.00 0.00 C ATOM 0 H THR A 27 -14.098 10.242 -10.852 1.00 0.00 H new ATOM 0 HA THR A 27 -12.059 8.377 -11.292 1.00 0.00 H new ATOM 0 HB THR A 27 -12.572 10.711 -13.074 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.486 9.540 -13.832 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.514 9.012 -14.872 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.024 9.028 -13.898 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.239 7.752 -13.646 1.00 0.00 H new ATOM 376 N MET A 28 -11.052 11.436 -10.758 1.00 0.00 N ATOM 377 CA MET A 28 -9.883 12.273 -10.521 1.00 0.00 C ATOM 378 C MET A 28 -9.643 12.462 -9.025 1.00 0.00 C ATOM 379 O MET A 28 -8.514 12.699 -8.594 1.00 0.00 O ATOM 380 CB MET A 28 -10.058 13.634 -11.197 1.00 0.00 C ATOM 381 CG MET A 28 -8.838 14.533 -11.079 1.00 0.00 C ATOM 382 SD MET A 28 -7.779 14.465 -12.537 1.00 0.00 S ATOM 383 CE MET A 28 -8.410 15.854 -13.478 1.00 0.00 C ATOM 0 H MET A 28 -11.941 11.879 -10.525 1.00 0.00 H new ATOM 0 HA MET A 28 -9.015 11.771 -10.950 1.00 0.00 H new ATOM 0 HB2 MET A 28 -10.285 13.480 -12.252 1.00 0.00 H new ATOM 0 HB3 MET A 28 -10.917 14.141 -10.757 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.163 15.561 -10.919 1.00 0.00 H new ATOM 0 HG3 MET A 28 -8.261 14.241 -10.202 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.854 15.944 -14.411 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.466 15.695 -13.698 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.294 16.769 -12.898 1.00 0.00 H new ATOM 393 N GLU A 29 -10.710 12.358 -8.238 1.00 0.00 N ATOM 394 CA GLU A 29 -10.611 12.519 -6.793 1.00 0.00 C ATOM 395 C GLU A 29 -10.493 11.164 -6.101 1.00 0.00 C ATOM 396 O GLU A 29 -11.268 10.248 -6.374 1.00 0.00 O ATOM 397 CB GLU A 29 -11.830 13.273 -6.257 1.00 0.00 C ATOM 398 CG GLU A 29 -12.004 14.656 -6.863 1.00 0.00 C ATOM 399 CD GLU A 29 -13.386 15.229 -6.617 1.00 0.00 C ATOM 400 OE1 GLU A 29 -14.355 14.443 -6.561 1.00 0.00 O ATOM 401 OE2 GLU A 29 -13.499 16.465 -6.477 1.00 0.00 O ATOM 0 H GLU A 29 -11.652 12.163 -8.577 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.712 13.097 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.726 12.684 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.741 13.368 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.256 15.329 -6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.822 14.604 -7.936 1.00 0.00 H new ATOM 408 N LEU A 30 -9.511 11.045 -5.209 1.00 0.00 N ATOM 409 CA LEU A 30 -9.275 9.809 -4.476 1.00 0.00 C ATOM 410 C LEU A 30 -10.581 9.201 -3.969 1.00 0.00 C ATOM 411 O LEU A 30 -11.485 9.917 -3.537 1.00 0.00 O ATOM 412 CB LEU A 30 -8.330 10.063 -3.302 1.00 0.00 C ATOM 413 CG LEU A 30 -6.841 10.067 -3.656 1.00 0.00 C ATOM 414 CD1 LEU A 30 -6.374 8.662 -4.006 1.00 0.00 C ATOM 415 CD2 LEU A 30 -6.569 11.025 -4.807 1.00 0.00 C ATOM 0 H LEU A 30 -8.863 11.798 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.816 9.099 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.583 11.023 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.505 9.300 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.280 10.409 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.313 8.683 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.534 8.002 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.940 8.293 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.505 11.015 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.140 10.714 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.867 12.033 -4.519 1.00 0.00 H new ATOM 427 N SER A 31 -10.672 7.876 -4.023 1.00 0.00 N ATOM 428 CA SER A 31 -11.866 7.173 -3.569 1.00 0.00 C ATOM 429 C SER A 31 -11.495 5.946 -2.743 1.00 0.00 C ATOM 430 O SER A 31 -10.473 5.304 -2.991 1.00 0.00 O ATOM 431 CB SER A 31 -12.724 6.756 -4.765 1.00 0.00 C ATOM 432 OG SER A 31 -14.104 6.830 -4.454 1.00 0.00 O ATOM 0 H SER A 31 -9.933 7.268 -4.377 1.00 0.00 H new ATOM 0 HA SER A 31 -12.439 7.853 -2.939 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.505 7.401 -5.616 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.469 5.739 -5.062 1.00 0.00 H new ATOM 0 HG SER A 31 -14.630 6.560 -5.235 1.00 0.00 H new ATOM 438 N ALA A 32 -12.330 5.624 -1.761 1.00 0.00 N ATOM 439 CA ALA A 32 -12.090 4.473 -0.899 1.00 0.00 C ATOM 440 C ALA A 32 -12.039 3.183 -1.710 1.00 0.00 C ATOM 441 O ALA A 32 -11.160 2.346 -1.509 1.00 0.00 O ATOM 442 CB ALA A 32 -13.165 4.386 0.173 1.00 0.00 C ATOM 0 H ALA A 32 -13.180 6.144 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.122 4.605 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.974 3.522 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.150 5.293 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.142 4.280 -0.299 1.00 0.00 H new ATOM 448 N ASP A 33 -12.990 3.028 -2.627 1.00 0.00 N ATOM 449 CA ASP A 33 -13.055 1.839 -3.469 1.00 0.00 C ATOM 450 C ASP A 33 -11.789 1.699 -4.310 1.00 0.00 C ATOM 451 O ASP A 33 -11.367 0.588 -4.631 1.00 0.00 O ATOM 452 CB ASP A 33 -14.283 1.900 -4.378 1.00 0.00 C ATOM 453 CG ASP A 33 -14.922 0.539 -4.577 1.00 0.00 C ATOM 454 OD1 ASP A 33 -14.186 -0.469 -4.570 1.00 0.00 O ATOM 455 OD2 ASP A 33 -16.159 0.483 -4.741 1.00 0.00 O ATOM 0 H ASP A 33 -13.726 3.711 -2.805 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.136 0.967 -2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.016 2.583 -3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.995 2.308 -5.347 1.00 0.00 H new ATOM 460 N TYR A 34 -11.192 2.832 -4.665 1.00 0.00 N ATOM 461 CA TYR A 34 -9.976 2.834 -5.470 1.00 0.00 C ATOM 462 C TYR A 34 -8.842 2.113 -4.746 1.00 0.00 C ATOM 463 O TYR A 34 -8.168 1.260 -5.324 1.00 0.00 O ATOM 464 CB TYR A 34 -9.558 4.270 -5.794 1.00 0.00 C ATOM 465 CG TYR A 34 -8.315 4.361 -6.653 1.00 0.00 C ATOM 466 CD1 TYR A 34 -8.296 3.835 -7.938 1.00 0.00 C ATOM 467 CD2 TYR A 34 -7.163 4.975 -6.177 1.00 0.00 C ATOM 468 CE1 TYR A 34 -7.163 3.916 -8.725 1.00 0.00 C ATOM 469 CE2 TYR A 34 -6.027 5.060 -6.958 1.00 0.00 C ATOM 470 CZ TYR A 34 -6.031 4.530 -8.230 1.00 0.00 C ATOM 471 OH TYR A 34 -4.901 4.613 -9.011 1.00 0.00 O ATOM 0 H TYR A 34 -11.530 3.760 -4.408 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.184 2.304 -6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.380 4.772 -6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.385 4.808 -4.862 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.181 3.355 -8.329 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.156 5.392 -5.181 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.164 3.501 -9.722 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.139 5.540 -6.573 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.194 5.076 -8.515 1.00 0.00 H new ATOM 481 N LEU A 35 -8.639 2.461 -3.481 1.00 0.00 N ATOM 482 CA LEU A 35 -7.587 1.847 -2.678 1.00 0.00 C ATOM 483 C LEU A 35 -7.903 0.382 -2.397 1.00 0.00 C ATOM 484 O LEU A 35 -7.008 -0.462 -2.373 1.00 0.00 O ATOM 485 CB LEU A 35 -7.412 2.606 -1.361 1.00 0.00 C ATOM 486 CG LEU A 35 -7.199 4.114 -1.504 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.944 4.749 -0.145 1.00 0.00 C ATOM 488 CD2 LEU A 35 -6.046 4.401 -2.455 1.00 0.00 C ATOM 0 H LEU A 35 -9.189 3.165 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.656 1.897 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.293 2.436 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.561 2.184 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.106 4.552 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.795 5.822 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.801 4.573 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.053 4.307 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.908 5.479 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.133 3.950 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.270 3.981 -3.435 1.00 0.00 H new ATOM 500 N ARG A 36 -9.181 0.087 -2.185 1.00 0.00 N ATOM 501 CA ARG A 36 -9.614 -1.278 -1.907 1.00 0.00 C ATOM 502 C ARG A 36 -9.464 -2.159 -3.141 1.00 0.00 C ATOM 503 O ARG A 36 -8.835 -3.216 -3.089 1.00 0.00 O ATOM 504 CB ARG A 36 -11.069 -1.287 -1.433 1.00 0.00 C ATOM 505 CG ARG A 36 -11.510 -2.619 -0.847 1.00 0.00 C ATOM 506 CD ARG A 36 -12.942 -2.559 -0.342 1.00 0.00 C ATOM 507 NE ARG A 36 -13.889 -2.266 -1.416 1.00 0.00 N ATOM 508 CZ ARG A 36 -15.197 -2.499 -1.335 1.00 0.00 C ATOM 509 NH1 ARG A 36 -15.717 -3.027 -0.233 1.00 0.00 N ATOM 510 NH2 ARG A 36 -15.988 -2.203 -2.357 1.00 0.00 N ATOM 0 H ARG A 36 -9.935 0.774 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.979 -1.680 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.203 -0.507 -0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.717 -1.036 -2.273 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.423 -3.398 -1.605 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.846 -2.895 -0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.203 -3.510 0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.022 -1.795 0.431 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.526 -1.859 -2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.113 -3.256 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.720 -3.203 -0.176 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.594 -1.797 -3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.990 -2.382 -2.295 1.00 0.00 H new ATOM 524 N GLU A 37 -10.047 -1.718 -4.252 1.00 0.00 N ATOM 525 CA GLU A 37 -9.979 -2.467 -5.501 1.00 0.00 C ATOM 526 C GLU A 37 -8.532 -2.644 -5.951 1.00 0.00 C ATOM 527 O GLU A 37 -8.189 -3.638 -6.591 1.00 0.00 O ATOM 528 CB GLU A 37 -10.780 -1.753 -6.591 1.00 0.00 C ATOM 529 CG GLU A 37 -12.285 -1.850 -6.403 1.00 0.00 C ATOM 530 CD GLU A 37 -12.873 -3.093 -7.040 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.161 -4.116 -7.114 1.00 0.00 O ATOM 532 OE2 GLU A 37 -14.047 -3.043 -7.466 1.00 0.00 O ATOM 0 H GLU A 37 -10.572 -0.845 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.410 -3.453 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.492 -0.702 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.515 -2.176 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.515 -1.849 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.759 -0.967 -6.833 1.00 0.00 H new ATOM 539 N LYS A 38 -7.689 -1.674 -5.614 1.00 0.00 N ATOM 540 CA LYS A 38 -6.279 -1.724 -5.985 1.00 0.00 C ATOM 541 C LYS A 38 -5.581 -2.905 -5.318 1.00 0.00 C ATOM 542 O LYS A 38 -5.046 -3.784 -5.993 1.00 0.00 O ATOM 543 CB LYS A 38 -5.582 -0.419 -5.597 1.00 0.00 C ATOM 544 CG LYS A 38 -4.129 -0.351 -6.036 1.00 0.00 C ATOM 545 CD LYS A 38 -3.394 0.793 -5.358 1.00 0.00 C ATOM 546 CE LYS A 38 -2.234 1.291 -6.204 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.702 2.005 -7.424 1.00 0.00 N ATOM 0 H LYS A 38 -7.957 -0.844 -5.085 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.218 -1.853 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.125 0.418 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.632 -0.298 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.633 -1.293 -5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.080 -0.225 -7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.088 1.613 -5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.022 0.463 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.611 1.959 -5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.608 0.447 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.943 2.621 -7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.955 1.311 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.535 2.582 -7.191 1.00 0.00 H new ATOM 561 N LEU A 39 -5.590 -2.917 -3.989 1.00 0.00 N ATOM 562 CA LEU A 39 -4.956 -3.990 -3.230 1.00 0.00 C ATOM 563 C LEU A 39 -5.689 -5.312 -3.439 1.00 0.00 C ATOM 564 O LEU A 39 -5.086 -6.383 -3.380 1.00 0.00 O ATOM 565 CB LEU A 39 -4.927 -3.641 -1.741 1.00 0.00 C ATOM 566 CG LEU A 39 -4.393 -2.245 -1.413 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.081 -1.689 -0.176 1.00 0.00 C ATOM 568 CD2 LEU A 39 -2.887 -2.285 -1.215 1.00 0.00 C ATOM 0 H LEU A 39 -6.029 -2.197 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.934 -4.101 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.938 -3.729 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.315 -4.379 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.611 -1.585 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.689 -0.696 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.154 -1.624 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.893 -2.348 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.524 -1.284 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.646 -2.959 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.409 -2.641 -2.128 1.00 0.00 H new ATOM 580 N ARG A 40 -6.994 -5.228 -3.683 1.00 0.00 N ATOM 581 CA ARG A 40 -7.810 -6.419 -3.901 1.00 0.00 C ATOM 582 C ARG A 40 -7.280 -7.242 -5.061 1.00 0.00 C ATOM 583 O ARG A 40 -6.997 -8.430 -4.914 1.00 0.00 O ATOM 584 CB ARG A 40 -9.265 -6.025 -4.160 1.00 0.00 C ATOM 585 CG ARG A 40 -10.226 -7.203 -4.138 1.00 0.00 C ATOM 586 CD ARG A 40 -11.673 -6.742 -4.226 1.00 0.00 C ATOM 587 NE ARG A 40 -12.187 -6.812 -5.592 1.00 0.00 N ATOM 588 CZ ARG A 40 -12.573 -7.941 -6.182 1.00 0.00 C ATOM 589 NH1 ARG A 40 -12.504 -9.095 -5.531 1.00 0.00 N ATOM 590 NH2 ARG A 40 -13.029 -7.916 -7.427 1.00 0.00 N ATOM 0 H ARG A 40 -7.509 -4.349 -3.735 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.760 -7.030 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.576 -5.299 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.332 -5.530 -5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.004 -7.871 -4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.080 -7.776 -3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.291 -7.360 -3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.750 -5.718 -3.862 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.254 -5.945 -6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.154 -9.120 -4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.801 -9.957 -5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.084 -7.032 -7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.325 -8.781 -7.879 1.00 0.00 H new ATOM 604 N GLN A 41 -7.152 -6.608 -6.212 1.00 0.00 N ATOM 605 CA GLN A 41 -6.660 -7.292 -7.396 1.00 0.00 C ATOM 606 C GLN A 41 -5.152 -7.509 -7.317 1.00 0.00 C ATOM 607 O GLN A 41 -4.626 -8.482 -7.855 1.00 0.00 O ATOM 608 CB GLN A 41 -7.015 -6.503 -8.657 1.00 0.00 C ATOM 609 CG GLN A 41 -8.469 -6.066 -8.713 1.00 0.00 C ATOM 610 CD GLN A 41 -9.299 -6.921 -9.652 1.00 0.00 C ATOM 611 OE1 GLN A 41 -10.137 -7.708 -9.214 1.00 0.00 O ATOM 612 NE2 GLN A 41 -9.068 -6.769 -10.951 1.00 0.00 N ATOM 0 H GLN A 41 -7.381 -5.624 -6.353 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.143 -8.268 -7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.377 -5.621 -8.715 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.794 -7.114 -9.532 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.897 -6.112 -7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.520 -5.026 -9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.363 -6.104 -11.269 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.596 -7.317 -11.630 1.00 0.00 H new ATOM 621 N ASP A 42 -4.461 -6.595 -6.641 1.00 0.00 N ATOM 622 CA ASP A 42 -3.014 -6.689 -6.493 1.00 0.00 C ATOM 623 C ASP A 42 -2.629 -7.931 -5.695 1.00 0.00 C ATOM 624 O ASP A 42 -1.868 -8.774 -6.168 1.00 0.00 O ATOM 625 CB ASP A 42 -2.470 -5.435 -5.806 1.00 0.00 C ATOM 626 CG ASP A 42 -1.879 -4.447 -6.793 1.00 0.00 C ATOM 627 OD1 ASP A 42 -2.634 -3.930 -7.641 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.658 -4.190 -6.716 1.00 0.00 O ATOM 0 H ASP A 42 -4.880 -5.783 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.575 -6.769 -7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.273 -4.952 -5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.707 -5.722 -5.082 1.00 0.00 H new ATOM 633 N LEU A 43 -3.162 -8.035 -4.481 1.00 0.00 N ATOM 634 CA LEU A 43 -2.875 -9.174 -3.615 1.00 0.00 C ATOM 635 C LEU A 43 -3.843 -10.326 -3.876 1.00 0.00 C ATOM 636 O LEU A 43 -3.605 -11.455 -3.446 1.00 0.00 O ATOM 637 CB LEU A 43 -2.951 -8.753 -2.146 1.00 0.00 C ATOM 638 CG LEU A 43 -1.969 -7.655 -1.734 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.479 -6.915 -0.508 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.592 -8.244 -1.470 1.00 0.00 C ATOM 0 H LEU A 43 -3.794 -7.345 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.866 -9.519 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.964 -8.411 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.774 -9.630 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.886 -6.942 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.767 -6.138 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.444 -6.460 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.592 -7.616 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.094 -7.449 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.658 -8.979 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.223 -8.727 -2.375 1.00 0.00 H new ATOM 652 N GLU A 44 -4.937 -10.038 -4.579 1.00 0.00 N ATOM 653 CA GLU A 44 -5.934 -11.055 -4.890 1.00 0.00 C ATOM 654 C GLU A 44 -6.539 -11.629 -3.613 1.00 0.00 C ATOM 655 O GLU A 44 -6.458 -12.831 -3.357 1.00 0.00 O ATOM 656 CB GLU A 44 -5.310 -12.175 -5.726 1.00 0.00 C ATOM 657 CG GLU A 44 -5.025 -11.774 -7.164 1.00 0.00 C ATOM 658 CD GLU A 44 -5.360 -12.872 -8.153 1.00 0.00 C ATOM 659 OE1 GLU A 44 -5.436 -14.047 -7.734 1.00 0.00 O ATOM 660 OE2 GLU A 44 -5.544 -12.560 -9.348 1.00 0.00 O ATOM 0 H GLU A 44 -5.153 -9.110 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.730 -10.585 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.380 -12.493 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.979 -13.035 -5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.601 -10.881 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.972 -11.511 -7.262 1.00 0.00 H new ATOM 667 N ALA A 45 -7.148 -10.759 -2.812 1.00 0.00 N ATOM 668 CA ALA A 45 -7.767 -11.176 -1.560 1.00 0.00 C ATOM 669 C ALA A 45 -9.158 -11.751 -1.799 1.00 0.00 C ATOM 670 O ALA A 45 -9.668 -11.723 -2.920 1.00 0.00 O ATOM 671 CB ALA A 45 -7.837 -10.003 -0.593 1.00 0.00 C ATOM 0 H ALA A 45 -7.225 -9.761 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.151 -11.960 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.301 -10.327 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.830 -9.639 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.430 -9.202 -1.035 1.00 0.00 H new ATOM 677 N GLU A 46 -9.769 -12.272 -0.740 1.00 0.00 N ATOM 678 CA GLU A 46 -11.102 -12.853 -0.834 1.00 0.00 C ATOM 679 C GLU A 46 -12.170 -11.824 -0.479 1.00 0.00 C ATOM 680 O GLU A 46 -13.115 -11.609 -1.237 1.00 0.00 O ATOM 681 CB GLU A 46 -11.219 -14.067 0.090 1.00 0.00 C ATOM 682 CG GLU A 46 -12.481 -14.883 -0.134 1.00 0.00 C ATOM 683 CD GLU A 46 -12.357 -16.303 0.383 1.00 0.00 C ATOM 684 OE1 GLU A 46 -11.463 -17.033 -0.094 1.00 0.00 O ATOM 685 OE2 GLU A 46 -13.154 -16.686 1.266 1.00 0.00 O ATOM 0 H GLU A 46 -9.361 -12.303 0.194 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.260 -13.173 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.350 -14.709 -0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.194 -13.728 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.319 -14.392 0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.709 -14.907 -1.200 1.00 0.00 H new ATOM 692 N HIS A 47 -12.013 -11.193 0.681 1.00 0.00 N ATOM 693 CA HIS A 47 -12.965 -10.186 1.137 1.00 0.00 C ATOM 694 C HIS A 47 -12.255 -8.876 1.462 1.00 0.00 C ATOM 695 O HIS A 47 -11.214 -8.868 2.120 1.00 0.00 O ATOM 696 CB HIS A 47 -13.721 -10.691 2.368 1.00 0.00 C ATOM 697 CG HIS A 47 -15.058 -11.282 2.048 1.00 0.00 C ATOM 698 ND1 HIS A 47 -16.247 -10.616 2.264 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.394 -12.484 1.522 1.00 0.00 C ATOM 700 CE1 HIS A 47 -17.254 -11.385 1.886 1.00 0.00 C ATOM 701 NE2 HIS A 47 -16.763 -12.522 1.432 1.00 0.00 N ATOM 0 H HIS A 47 -11.237 -11.361 1.321 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.677 -10.002 0.333 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.114 -11.441 2.875 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.856 -9.865 3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.711 -13.267 1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -18.301 -11.126 1.940 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -17.312 -13.303 1.072 1.00 0.00 H new ATOM 710 N VAL A 48 -12.824 -7.768 0.996 1.00 0.00 N ATOM 711 CA VAL A 48 -12.246 -6.452 1.236 1.00 0.00 C ATOM 712 C VAL A 48 -13.302 -5.471 1.733 1.00 0.00 C ATOM 713 O VAL A 48 -14.464 -5.536 1.330 1.00 0.00 O ATOM 714 CB VAL A 48 -11.594 -5.883 -0.039 1.00 0.00 C ATOM 715 CG1 VAL A 48 -10.398 -6.726 -0.450 1.00 0.00 C ATOM 716 CG2 VAL A 48 -12.611 -5.800 -1.167 1.00 0.00 C ATOM 0 H VAL A 48 -13.685 -7.757 0.450 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.480 -6.578 2.002 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.240 -4.874 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.951 -6.308 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.661 -6.727 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.723 -7.748 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.133 -5.396 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.998 -6.796 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -13.432 -5.148 -0.869 1.00 0.00 H new ATOM 726 N GLU A 49 -12.891 -4.562 2.611 1.00 0.00 N ATOM 727 CA GLU A 49 -13.802 -3.566 3.164 1.00 0.00 C ATOM 728 C GLU A 49 -13.095 -2.228 3.355 1.00 0.00 C ATOM 729 O GLU A 49 -12.062 -2.150 4.020 1.00 0.00 O ATOM 730 CB GLU A 49 -14.370 -4.051 4.499 1.00 0.00 C ATOM 731 CG GLU A 49 -15.579 -4.960 4.352 1.00 0.00 C ATOM 732 CD GLU A 49 -15.565 -6.110 5.340 1.00 0.00 C ATOM 733 OE1 GLU A 49 -16.065 -5.929 6.470 1.00 0.00 O ATOM 734 OE2 GLU A 49 -15.055 -7.193 4.982 1.00 0.00 O ATOM 0 H GLU A 49 -11.933 -4.494 2.955 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.620 -3.426 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.590 -4.583 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.647 -3.186 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.488 -4.375 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.609 -5.357 3.337 1.00 0.00 H new ATOM 741 N VAL A 50 -13.658 -1.177 2.766 1.00 0.00 N ATOM 742 CA VAL A 50 -13.081 0.157 2.872 1.00 0.00 C ATOM 743 C VAL A 50 -14.115 1.166 3.362 1.00 0.00 C ATOM 744 O VAL A 50 -15.299 1.061 3.043 1.00 0.00 O ATOM 745 CB VAL A 50 -12.512 0.631 1.519 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.613 0.718 0.473 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.805 1.970 1.673 1.00 0.00 C ATOM 0 H VAL A 50 -14.513 -1.224 2.211 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.269 0.096 3.596 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.780 -0.102 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.190 1.054 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.066 -0.264 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.373 1.426 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.411 2.287 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.512 2.715 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.985 1.869 2.384 1.00 0.00 H new ATOM 757 N GLU A 51 -13.659 2.142 4.141 1.00 0.00 N ATOM 758 CA GLU A 51 -14.544 3.170 4.675 1.00 0.00 C ATOM 759 C GLU A 51 -13.838 4.518 4.738 1.00 0.00 C ATOM 760 O GLU A 51 -12.614 4.596 4.628 1.00 0.00 O ATOM 761 CB GLU A 51 -15.038 2.773 6.069 1.00 0.00 C ATOM 762 CG GLU A 51 -16.466 3.208 6.354 1.00 0.00 C ATOM 763 CD GLU A 51 -17.458 2.646 5.352 1.00 0.00 C ATOM 764 OE1 GLU A 51 -17.622 3.255 4.274 1.00 0.00 O ATOM 765 OE2 GLU A 51 -18.070 1.598 5.647 1.00 0.00 O ATOM 0 H GLU A 51 -12.682 2.242 4.416 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.399 3.261 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.968 1.690 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.377 3.210 6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.747 2.886 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.520 4.297 6.342 1.00 0.00 H new ATOM 772 N ASP A 52 -14.619 5.577 4.912 1.00 0.00 N ATOM 773 CA ASP A 52 -14.074 6.926 4.987 1.00 0.00 C ATOM 774 C ASP A 52 -14.785 7.737 6.067 1.00 0.00 C ATOM 775 O ASP A 52 -16.013 7.826 6.082 1.00 0.00 O ATOM 776 CB ASP A 52 -14.207 7.619 3.626 1.00 0.00 C ATOM 777 CG ASP A 52 -13.796 9.078 3.668 1.00 0.00 C ATOM 778 OD1 ASP A 52 -13.085 9.469 4.618 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.186 9.831 2.750 1.00 0.00 O ATOM 0 H ASP A 52 -15.634 5.527 5.004 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.018 6.861 5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.593 7.094 2.894 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.240 7.547 3.286 1.00 0.00 H new ATOM 784 N THR A 53 -14.005 8.324 6.968 1.00 0.00 N ATOM 785 CA THR A 53 -14.559 9.124 8.053 1.00 0.00 C ATOM 786 C THR A 53 -14.505 10.611 7.715 1.00 0.00 C ATOM 787 O THR A 53 -14.287 11.449 8.590 1.00 0.00 O ATOM 788 CB THR A 53 -13.798 8.858 9.353 1.00 0.00 C ATOM 789 OG1 THR A 53 -12.561 9.548 9.360 1.00 0.00 O ATOM 790 CG2 THR A 53 -13.506 7.391 9.588 1.00 0.00 C ATOM 0 H THR A 53 -12.987 8.261 6.968 1.00 0.00 H new ATOM 0 HA THR A 53 -15.602 8.836 8.186 1.00 0.00 H new ATOM 0 HB THR A 53 -14.454 9.213 10.148 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.248 9.668 8.439 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.965 7.274 10.527 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.443 6.837 9.638 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.900 7.005 8.769 1.00 0.00 H new ATOM 798 N THR A 54 -14.704 10.931 6.441 1.00 0.00 N ATOM 799 CA THR A 54 -14.678 12.318 5.988 1.00 0.00 C ATOM 800 C THR A 54 -15.359 12.461 4.631 1.00 0.00 C ATOM 801 O THR A 54 -15.772 11.472 4.026 1.00 0.00 O ATOM 802 CB THR A 54 -13.236 12.822 5.905 1.00 0.00 C ATOM 803 OG1 THR A 54 -12.390 12.064 6.749 1.00 0.00 O ATOM 804 CG2 THR A 54 -13.089 14.277 6.294 1.00 0.00 C ATOM 0 H THR A 54 -14.885 10.250 5.704 1.00 0.00 H new ATOM 0 HA THR A 54 -15.225 12.921 6.713 1.00 0.00 H new ATOM 0 HB THR A 54 -12.951 12.711 4.859 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.512 12.495 6.805 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.043 14.571 6.214 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.692 14.894 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.427 14.415 7.321 1.00 0.00 H new ATOM 812 N LEU A 55 -15.470 13.698 4.158 1.00 0.00 N ATOM 813 CA LEU A 55 -16.099 13.972 2.871 1.00 0.00 C ATOM 814 C LEU A 55 -15.337 15.052 2.111 1.00 0.00 C ATOM 815 O LEU A 55 -15.002 14.882 0.939 1.00 0.00 O ATOM 816 CB LEU A 55 -17.553 14.402 3.073 1.00 0.00 C ATOM 817 CG LEU A 55 -18.505 13.287 3.507 1.00 0.00 C ATOM 818 CD1 LEU A 55 -19.623 13.847 4.373 1.00 0.00 C ATOM 819 CD2 LEU A 55 -19.076 12.572 2.292 1.00 0.00 C ATOM 0 H LEU A 55 -15.132 14.527 4.647 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.077 13.056 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.581 15.194 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.922 14.831 2.141 1.00 0.00 H new ATOM 0 HG LEU A 55 -17.943 12.564 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.291 13.039 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -19.196 14.313 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.184 14.590 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -19.751 11.781 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.623 13.284 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -18.263 12.137 1.710 1.00 0.00 H new ATOM 831 N ASN A 56 -15.065 16.163 2.788 1.00 0.00 N ATOM 832 CA ASN A 56 -14.342 17.272 2.177 1.00 0.00 C ATOM 833 C ASN A 56 -12.866 16.929 2.003 1.00 0.00 C ATOM 834 O ASN A 56 -12.333 16.066 2.701 1.00 0.00 O ATOM 835 CB ASN A 56 -14.487 18.534 3.029 1.00 0.00 C ATOM 836 CG ASN A 56 -15.699 19.358 2.641 1.00 0.00 C ATOM 837 OD1 ASN A 56 -16.696 19.395 3.364 1.00 0.00 O ATOM 838 ND2 ASN A 56 -15.622 20.022 1.494 1.00 0.00 N ATOM 0 H ASN A 56 -15.334 16.319 3.759 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.773 17.455 1.193 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.563 18.253 4.079 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.589 19.143 2.927 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -16.408 20.591 1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.777 19.963 0.926 1.00 0.00 H new ATOM 845 N ARG A 57 -12.211 17.610 1.068 1.00 0.00 N ATOM 846 CA ARG A 57 -10.795 17.375 0.804 1.00 0.00 C ATOM 847 C ARG A 57 -9.936 17.880 1.959 1.00 0.00 C ATOM 848 O ARG A 57 -10.454 18.300 2.993 1.00 0.00 O ATOM 849 CB ARG A 57 -10.376 18.064 -0.497 1.00 0.00 C ATOM 850 CG ARG A 57 -11.373 17.883 -1.631 1.00 0.00 C ATOM 851 CD ARG A 57 -10.745 18.194 -2.981 1.00 0.00 C ATOM 852 NE ARG A 57 -11.069 19.544 -3.437 1.00 0.00 N ATOM 853 CZ ARG A 57 -10.396 20.634 -3.075 1.00 0.00 C ATOM 854 NH1 ARG A 57 -9.360 20.542 -2.250 1.00 0.00 N ATOM 855 NH2 ARG A 57 -10.761 21.821 -3.540 1.00 0.00 N ATOM 0 H ARG A 57 -12.637 18.328 0.481 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.643 16.300 0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.243 19.129 -0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.408 17.673 -0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.745 16.859 -1.629 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.232 18.535 -1.469 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.663 18.085 -2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.092 17.469 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.859 19.658 -4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.075 19.632 -1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.849 21.382 -1.977 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.556 21.898 -4.174 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.246 22.657 -3.264 1.00 0.00 H new ATOM 869 N CYS A 58 -8.621 17.835 1.774 1.00 0.00 N ATOM 870 CA CYS A 58 -7.689 18.288 2.800 1.00 0.00 C ATOM 871 C CYS A 58 -7.855 17.479 4.082 1.00 0.00 C ATOM 872 O CYS A 58 -8.864 17.599 4.778 1.00 0.00 O ATOM 873 CB CYS A 58 -7.901 19.775 3.091 1.00 0.00 C ATOM 874 SG CYS A 58 -6.376 20.686 3.427 1.00 0.00 S ATOM 0 H CYS A 58 -8.177 17.490 0.923 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.676 18.139 2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -8.405 20.233 2.240 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -8.568 19.875 3.948 1.00 0.00 H new ATOM 0 HG CYS A 58 -6.658 21.934 3.659 1.00 0.00 H new ATOM 880 N ALA A 59 -6.859 16.654 4.388 1.00 0.00 N ATOM 881 CA ALA A 59 -6.894 15.826 5.587 1.00 0.00 C ATOM 882 C ALA A 59 -8.087 14.875 5.563 1.00 0.00 C ATOM 883 O ALA A 59 -9.141 15.171 6.124 1.00 0.00 O ATOM 884 CB ALA A 59 -6.940 16.700 6.831 1.00 0.00 C ATOM 0 H ALA A 59 -6.018 16.541 3.822 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.984 15.226 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.966 16.068 7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.054 17.335 6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.833 17.325 6.804 1.00 0.00 H new ATOM 890 N THR A 60 -7.911 13.731 4.909 1.00 0.00 N ATOM 891 CA THR A 60 -8.973 12.735 4.813 1.00 0.00 C ATOM 892 C THR A 60 -8.466 11.356 5.221 1.00 0.00 C ATOM 893 O THR A 60 -7.536 10.822 4.615 1.00 0.00 O ATOM 894 CB THR A 60 -9.525 12.687 3.387 1.00 0.00 C ATOM 895 OG1 THR A 60 -9.393 13.948 2.755 1.00 0.00 O ATOM 896 CG2 THR A 60 -10.986 12.293 3.325 1.00 0.00 C ATOM 0 H THR A 60 -7.044 13.471 4.438 1.00 0.00 H new ATOM 0 HA THR A 60 -9.771 13.024 5.496 1.00 0.00 H new ATOM 0 HB THR A 60 -8.937 11.926 2.875 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.750 13.896 1.844 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.315 12.278 2.286 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.114 11.302 3.761 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.582 13.015 3.884 1.00 0.00 H new ATOM 904 N SER A 61 -9.083 10.785 6.249 1.00 0.00 N ATOM 905 CA SER A 61 -8.695 9.468 6.738 1.00 0.00 C ATOM 906 C SER A 61 -9.380 8.367 5.936 1.00 0.00 C ATOM 907 O SER A 61 -10.431 8.587 5.332 1.00 0.00 O ATOM 908 CB SER A 61 -9.045 9.327 8.221 1.00 0.00 C ATOM 909 OG SER A 61 -10.259 9.992 8.524 1.00 0.00 O ATOM 0 H SER A 61 -9.854 11.214 6.760 1.00 0.00 H new ATOM 0 HA SER A 61 -7.617 9.366 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.131 8.271 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.239 9.739 8.829 1.00 0.00 H new ATOM 0 HG SER A 61 -10.723 9.514 9.243 1.00 0.00 H new ATOM 915 N PHE A 62 -8.780 7.181 5.932 1.00 0.00 N ATOM 916 CA PHE A 62 -9.335 6.047 5.202 1.00 0.00 C ATOM 917 C PHE A 62 -8.971 4.729 5.880 1.00 0.00 C ATOM 918 O PHE A 62 -7.925 4.616 6.519 1.00 0.00 O ATOM 919 CB PHE A 62 -8.827 6.045 3.758 1.00 0.00 C ATOM 920 CG PHE A 62 -9.471 7.092 2.895 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.777 6.942 2.457 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.768 8.226 2.520 1.00 0.00 C ATOM 923 CE1 PHE A 62 -11.371 7.904 1.662 1.00 0.00 C ATOM 924 CE2 PHE A 62 -9.357 9.191 1.725 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.660 9.030 1.296 1.00 0.00 C ATOM 0 H PHE A 62 -7.910 6.980 6.426 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.420 6.147 5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.748 6.201 3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.006 5.063 3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.337 6.063 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.749 8.357 2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -12.390 7.775 1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.799 10.070 1.439 1.00 0.00 H new ATOM 0 HZ PHE A 62 -11.122 9.783 0.675 1.00 0.00 H new ATOM 935 N ARG A 63 -9.842 3.735 5.735 1.00 0.00 N ATOM 936 CA ARG A 63 -9.615 2.424 6.330 1.00 0.00 C ATOM 937 C ARG A 63 -9.752 1.323 5.282 1.00 0.00 C ATOM 938 O ARG A 63 -10.626 1.382 4.419 1.00 0.00 O ATOM 939 CB ARG A 63 -10.602 2.182 7.474 1.00 0.00 C ATOM 940 CG ARG A 63 -10.092 2.652 8.827 1.00 0.00 C ATOM 941 CD ARG A 63 -10.605 4.043 9.163 1.00 0.00 C ATOM 942 NE ARG A 63 -9.598 5.072 8.917 1.00 0.00 N ATOM 943 CZ ARG A 63 -8.571 5.314 9.730 1.00 0.00 C ATOM 944 NH1 ARG A 63 -8.414 4.604 10.841 1.00 0.00 N ATOM 945 NH2 ARG A 63 -7.700 6.267 9.432 1.00 0.00 N ATOM 0 H ARG A 63 -10.713 3.814 5.210 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.600 2.401 6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.538 2.694 7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.827 1.117 7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.407 1.950 9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.002 2.656 8.825 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.493 4.255 8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.908 4.075 10.210 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.686 5.638 8.073 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.082 3.869 11.075 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.626 4.793 11.460 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.816 6.816 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.914 6.452 10.055 1.00 0.00 H new ATOM 959 N VAL A 64 -8.881 0.323 5.365 1.00 0.00 N ATOM 960 CA VAL A 64 -8.907 -0.788 4.421 1.00 0.00 C ATOM 961 C VAL A 64 -8.755 -2.125 5.138 1.00 0.00 C ATOM 962 O VAL A 64 -8.066 -2.223 6.153 1.00 0.00 O ATOM 963 CB VAL A 64 -7.792 -0.656 3.366 1.00 0.00 C ATOM 964 CG1 VAL A 64 -8.141 0.421 2.351 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.458 -0.357 4.034 1.00 0.00 C ATOM 0 H VAL A 64 -8.150 0.259 6.074 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.876 -0.754 3.922 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.703 -1.605 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.342 0.499 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.073 0.160 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.259 1.377 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.682 -0.267 3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.531 0.578 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.204 -1.167 4.718 1.00 0.00 H new ATOM 975 N LEU A 65 -9.403 -3.154 4.600 1.00 0.00 N ATOM 976 CA LEU A 65 -9.341 -4.488 5.185 1.00 0.00 C ATOM 977 C LEU A 65 -9.079 -5.539 4.112 1.00 0.00 C ATOM 978 O LEU A 65 -9.706 -5.527 3.053 1.00 0.00 O ATOM 979 CB LEU A 65 -10.644 -4.807 5.922 1.00 0.00 C ATOM 980 CG LEU A 65 -10.491 -5.711 7.146 1.00 0.00 C ATOM 981 CD1 LEU A 65 -9.792 -7.007 6.768 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.725 -4.991 8.246 1.00 0.00 C ATOM 0 H LEU A 65 -9.977 -3.089 3.759 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.516 -4.508 5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.104 -3.870 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.332 -5.282 5.223 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.485 -5.955 7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.692 -7.638 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.379 -7.530 6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.803 -6.784 6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.625 -5.648 9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.735 -4.718 7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.266 -4.090 8.536 1.00 0.00 H new ATOM 994 N VAL A 66 -8.150 -6.446 4.391 1.00 0.00 N ATOM 995 CA VAL A 66 -7.806 -7.503 3.448 1.00 0.00 C ATOM 996 C VAL A 66 -7.701 -8.854 4.147 1.00 0.00 C ATOM 997 O VAL A 66 -6.995 -8.995 5.146 1.00 0.00 O ATOM 998 CB VAL A 66 -6.476 -7.205 2.730 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.236 -8.207 1.612 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.467 -5.782 2.192 1.00 0.00 C ATOM 0 H VAL A 66 -7.621 -6.470 5.263 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.608 -7.540 2.711 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.665 -7.301 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.292 -7.980 1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.195 -9.214 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.049 -8.147 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.520 -5.590 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.287 -5.655 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.588 -5.080 3.017 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.408 -9.845 3.614 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.396 -11.187 4.184 1.00 0.00 C ATOM 1012 C VAL A 67 -8.228 -12.244 3.098 1.00 0.00 C ATOM 1013 O VAL A 67 -9.052 -12.348 2.189 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.689 -11.476 4.970 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.586 -12.804 5.702 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -9.987 -10.344 5.942 1.00 0.00 C ATOM 0 H VAL A 67 -8.997 -9.744 2.787 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.547 -11.233 4.866 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.515 -11.543 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.509 -12.989 6.251 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.425 -13.605 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.749 -12.771 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.904 -10.565 6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.161 -10.242 6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.110 -9.413 5.389 1.00 0.00 H new ATOM 1026 N SER A 68 -7.157 -13.024 3.197 1.00 0.00 N ATOM 1027 CA SER A 68 -6.883 -14.074 2.222 1.00 0.00 C ATOM 1028 C SER A 68 -5.612 -14.835 2.583 1.00 0.00 C ATOM 1029 O SER A 68 -4.958 -14.535 3.581 1.00 0.00 O ATOM 1030 CB SER A 68 -6.749 -13.474 0.820 1.00 0.00 C ATOM 1031 OG SER A 68 -7.315 -14.330 -0.157 1.00 0.00 O ATOM 0 H SER A 68 -6.465 -12.949 3.942 1.00 0.00 H new ATOM 0 HA SER A 68 -7.719 -14.773 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.243 -12.503 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.697 -13.304 0.593 1.00 0.00 H new ATOM 0 HG SER A 68 -6.953 -14.104 -1.039 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.268 -15.823 1.762 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.076 -16.630 1.992 1.00 0.00 C ATOM 1039 C ALA A 69 -2.830 -15.960 1.418 1.00 0.00 C ATOM 1040 O ALA A 69 -1.706 -16.319 1.769 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.255 -18.015 1.390 1.00 0.00 C ATOM 0 H ALA A 69 -5.799 -16.083 0.931 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.938 -16.725 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.358 -18.608 1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.112 -18.505 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.424 -17.926 0.317 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.032 -14.985 0.534 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.921 -14.269 -0.086 1.00 0.00 C ATOM 1049 C LYS A 70 -0.950 -13.743 0.969 1.00 0.00 C ATOM 1050 O LYS A 70 0.258 -13.675 0.737 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.446 -13.110 -0.935 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.351 -12.326 -1.642 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.651 -13.173 -2.693 1.00 0.00 C ATOM 1054 CE LYS A 70 -1.530 -13.387 -3.914 1.00 0.00 C ATOM 1055 NZ LYS A 70 -1.185 -14.644 -4.634 1.00 0.00 N ATOM 0 H LYS A 70 -3.955 -14.673 0.232 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.385 -14.969 -0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.139 -13.501 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.013 -12.432 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.781 -11.442 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.622 -11.976 -0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.278 -12.688 -2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.382 -14.138 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.575 -13.420 -3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.423 -12.540 -4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.807 -14.753 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.195 -14.603 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.312 -15.455 -3.996 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.486 -13.372 2.127 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.668 -12.855 3.217 1.00 0.00 C ATOM 1071 C PHE A 71 0.104 -13.979 3.900 1.00 0.00 C ATOM 1072 O PHE A 71 1.203 -13.770 4.413 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.543 -12.128 4.239 1.00 0.00 C ATOM 1074 CG PHE A 71 -2.151 -10.858 3.714 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -1.382 -9.947 3.008 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.490 -10.577 3.926 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.938 -8.778 2.524 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -4.052 -9.410 3.445 1.00 0.00 C ATOM 1079 CZ PHE A 71 -3.276 -8.509 2.743 1.00 0.00 C ATOM 0 H PHE A 71 -2.484 -13.420 2.334 1.00 0.00 H new ATOM 0 HA PHE A 71 0.049 -12.150 2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.341 -12.796 4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.943 -11.897 5.120 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.336 -10.153 2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.102 -11.278 4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.328 -8.076 1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.098 -9.203 3.618 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.713 -7.596 2.366 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.480 -15.174 3.903 1.00 0.00 N ATOM 1090 CA GLU A 72 0.149 -16.332 4.522 1.00 0.00 C ATOM 1091 C GLU A 72 1.451 -16.689 3.811 1.00 0.00 C ATOM 1092 O GLU A 72 2.392 -17.188 4.429 1.00 0.00 O ATOM 1093 CB GLU A 72 -0.807 -17.526 4.497 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.475 -17.798 5.835 1.00 0.00 C ATOM 1095 CD GLU A 72 -0.581 -18.569 6.787 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -0.489 -19.806 6.644 1.00 0.00 O ATOM 1097 OE2 GLU A 72 0.026 -17.934 7.675 1.00 0.00 O ATOM 0 H GLU A 72 -1.390 -15.364 3.482 1.00 0.00 H new ATOM 0 HA GLU A 72 0.381 -16.082 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.576 -17.349 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.257 -18.415 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.758 -16.851 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.394 -18.360 5.670 1.00 0.00 H new ATOM 1104 N GLY A 73 1.499 -16.430 2.508 1.00 0.00 N ATOM 1105 CA GLY A 73 2.690 -16.730 1.735 1.00 0.00 C ATOM 1106 C GLY A 73 3.914 -15.998 2.247 1.00 0.00 C ATOM 1107 O GLY A 73 4.964 -16.603 2.460 1.00 0.00 O ATOM 0 H GLY A 73 0.734 -16.018 1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.875 -17.804 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.520 -16.461 0.692 1.00 0.00 H new ATOM 1111 N LYS A 74 3.780 -14.690 2.443 1.00 0.00 N ATOM 1112 CA LYS A 74 4.884 -13.874 2.932 1.00 0.00 C ATOM 1113 C LYS A 74 4.784 -13.668 4.441 1.00 0.00 C ATOM 1114 O LYS A 74 3.712 -13.822 5.027 1.00 0.00 O ATOM 1115 CB LYS A 74 4.899 -12.519 2.220 1.00 0.00 C ATOM 1116 CG LYS A 74 4.874 -12.627 0.704 1.00 0.00 C ATOM 1117 CD LYS A 74 3.473 -12.911 0.188 1.00 0.00 C ATOM 1118 CE LYS A 74 3.204 -12.187 -1.120 1.00 0.00 C ATOM 1119 NZ LYS A 74 3.669 -12.972 -2.296 1.00 0.00 N ATOM 0 H LYS A 74 2.918 -14.173 2.270 1.00 0.00 H new ATOM 0 HA LYS A 74 5.814 -14.400 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.039 -11.936 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.790 -11.969 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.243 -11.699 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.549 -13.421 0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.348 -13.984 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.740 -12.602 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.136 -11.992 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.705 -11.219 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.467 -12.443 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.693 -13.137 -2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.172 -13.885 -2.322 1.00 0.00 H new ATOM 1133 N PRO A 75 5.906 -13.314 5.093 1.00 0.00 N ATOM 1134 CA PRO A 75 5.939 -13.087 6.541 1.00 0.00 C ATOM 1135 C PRO A 75 4.867 -12.103 6.998 1.00 0.00 C ATOM 1136 O PRO A 75 4.042 -11.654 6.202 1.00 0.00 O ATOM 1137 CB PRO A 75 7.334 -12.505 6.780 1.00 0.00 C ATOM 1138 CG PRO A 75 8.156 -13.016 5.648 1.00 0.00 C ATOM 1139 CD PRO A 75 7.226 -13.109 4.470 1.00 0.00 C ATOM 0 HA PRO A 75 5.743 -14.002 7.100 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.312 -11.415 6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.738 -12.827 7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.988 -12.345 5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.584 -13.990 5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.249 -12.201 3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.493 -13.936 3.812 1.00 0.00 H new ATOM 1147 N LEU A 76 4.883 -11.774 8.286 1.00 0.00 N ATOM 1148 CA LEU A 76 3.913 -10.843 8.849 1.00 0.00 C ATOM 1149 C LEU A 76 4.303 -9.400 8.550 1.00 0.00 C ATOM 1150 O LEU A 76 3.464 -8.585 8.168 1.00 0.00 O ATOM 1151 CB LEU A 76 3.796 -11.049 10.361 1.00 0.00 C ATOM 1152 CG LEU A 76 2.621 -10.327 11.024 1.00 0.00 C ATOM 1153 CD1 LEU A 76 1.378 -11.201 11.003 1.00 0.00 C ATOM 1154 CD2 LEU A 76 2.975 -9.934 12.451 1.00 0.00 C ATOM 0 H LEU A 76 5.557 -12.139 8.959 1.00 0.00 H new ATOM 0 HA LEU A 76 2.947 -11.041 8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.706 -12.117 10.561 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.721 -10.713 10.831 1.00 0.00 H new ATOM 0 HG LEU A 76 2.411 -9.419 10.459 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.553 -10.671 11.479 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.114 -11.433 9.971 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.575 -12.127 11.544 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.128 -9.422 12.908 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.211 -10.829 13.027 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.839 -9.270 12.442 1.00 0.00 H new ATOM 1166 N LEU A 77 5.584 -9.091 8.726 1.00 0.00 N ATOM 1167 CA LEU A 77 6.087 -7.744 8.475 1.00 0.00 C ATOM 1168 C LEU A 77 6.199 -7.475 6.978 1.00 0.00 C ATOM 1169 O LEU A 77 6.042 -6.341 6.527 1.00 0.00 O ATOM 1170 CB LEU A 77 7.451 -7.554 9.142 1.00 0.00 C ATOM 1171 CG LEU A 77 8.535 -8.534 8.691 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.296 -7.977 7.500 1.00 0.00 C ATOM 1173 CD2 LEU A 77 9.486 -8.840 9.839 1.00 0.00 C ATOM 0 H LEU A 77 6.292 -9.754 9.041 1.00 0.00 H new ATOM 0 HA LEU A 77 5.379 -7.034 8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.796 -6.539 8.946 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.326 -7.645 10.221 1.00 0.00 H new ATOM 0 HG LEU A 77 8.054 -9.463 8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.063 -8.688 7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.606 -7.809 6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.766 -7.034 7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.251 -9.539 9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.960 -7.918 10.175 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.929 -9.283 10.665 1.00 0.00 H new ATOM 1185 N GLN A 78 6.471 -8.527 6.212 1.00 0.00 N ATOM 1186 CA GLN A 78 6.604 -8.403 4.764 1.00 0.00 C ATOM 1187 C GLN A 78 5.269 -8.040 4.122 1.00 0.00 C ATOM 1188 O GLN A 78 5.192 -7.125 3.302 1.00 0.00 O ATOM 1189 CB GLN A 78 7.131 -9.710 4.167 1.00 0.00 C ATOM 1190 CG GLN A 78 8.078 -9.505 2.996 1.00 0.00 C ATOM 1191 CD GLN A 78 9.507 -9.889 3.326 1.00 0.00 C ATOM 1192 OE1 GLN A 78 10.100 -10.747 2.671 1.00 0.00 O ATOM 1193 NE2 GLN A 78 10.070 -9.256 4.348 1.00 0.00 N ATOM 0 H GLN A 78 6.603 -9.473 6.569 1.00 0.00 H new ATOM 0 HA GLN A 78 7.314 -7.603 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.645 -10.274 4.945 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.287 -10.316 3.839 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.734 -10.096 2.148 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.049 -8.460 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.543 -8.552 4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 78 11.029 -9.474 4.617 1.00 0.00 H new ATOM 1202 N ARG A 79 4.219 -8.762 4.502 1.00 0.00 N ATOM 1203 CA ARG A 79 2.886 -8.515 3.963 1.00 0.00 C ATOM 1204 C ARG A 79 2.432 -7.091 4.264 1.00 0.00 C ATOM 1205 O ARG A 79 1.800 -6.441 3.431 1.00 0.00 O ATOM 1206 CB ARG A 79 1.886 -9.516 4.543 1.00 0.00 C ATOM 1207 CG ARG A 79 1.803 -9.482 6.060 1.00 0.00 C ATOM 1208 CD ARG A 79 0.660 -10.343 6.575 1.00 0.00 C ATOM 1209 NE ARG A 79 0.985 -11.766 6.533 1.00 0.00 N ATOM 1210 CZ ARG A 79 0.327 -12.697 7.220 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.690 -12.359 8.004 1.00 0.00 N ATOM 1212 NH2 ARG A 79 0.687 -13.970 7.124 1.00 0.00 N ATOM 0 H ARG A 79 4.265 -9.522 5.181 1.00 0.00 H new ATOM 0 HA ARG A 79 2.929 -8.641 2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.899 -9.312 4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.164 -10.521 4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.744 -9.832 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.665 -8.454 6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.423 -10.055 7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.232 -10.157 5.977 1.00 0.00 H new ATOM 0 HE ARG A 79 1.762 -12.064 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.971 -11.382 8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.190 -13.077 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.468 -14.235 6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.183 -14.684 7.650 1.00 0.00 H new ATOM 1226 N HIS A 80 2.760 -6.610 5.459 1.00 0.00 N ATOM 1227 CA HIS A 80 2.385 -5.261 5.870 1.00 0.00 C ATOM 1228 C HIS A 80 3.024 -4.219 4.959 1.00 0.00 C ATOM 1229 O HIS A 80 2.399 -3.216 4.611 1.00 0.00 O ATOM 1230 CB HIS A 80 2.802 -5.013 7.319 1.00 0.00 C ATOM 1231 CG HIS A 80 2.081 -5.877 8.307 1.00 0.00 C ATOM 1232 ND1 HIS A 80 0.927 -6.577 8.194 1.00 0.00 N flip ATOM 1233 CD2 HIS A 80 2.538 -6.098 9.588 1.00 0.00 C flip ATOM 1234 CE1 HIS A 80 0.711 -7.201 9.398 1.00 0.00 C flip ATOM 1235 NE2 HIS A 80 1.698 -6.898 10.222 1.00 0.00 N flip ATOM 0 H HIS A 80 3.284 -7.134 6.160 1.00 0.00 H new ATOM 0 HA HIS A 80 1.302 -5.171 5.791 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.874 -5.184 7.414 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.623 -3.966 7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.442 -5.682 10.009 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.130 -7.837 9.633 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.795 -7.225 11.183 1.00 0.00 H new ATOM 1244 N ARG A 81 4.273 -4.462 4.574 1.00 0.00 N ATOM 1245 CA ARG A 81 4.996 -3.544 3.703 1.00 0.00 C ATOM 1246 C ARG A 81 4.428 -3.573 2.287 1.00 0.00 C ATOM 1247 O ARG A 81 4.459 -2.570 1.574 1.00 0.00 O ATOM 1248 CB ARG A 81 6.484 -3.900 3.676 1.00 0.00 C ATOM 1249 CG ARG A 81 7.312 -3.133 4.695 1.00 0.00 C ATOM 1250 CD ARG A 81 8.398 -4.005 5.304 1.00 0.00 C ATOM 1251 NE ARG A 81 9.711 -3.730 4.723 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.861 -4.076 5.295 1.00 0.00 C ATOM 1253 NH1 ARG A 81 10.867 -4.712 6.460 1.00 0.00 N ATOM 1254 NH2 ARG A 81 12.011 -3.787 4.700 1.00 0.00 N ATOM 0 H ARG A 81 4.805 -5.287 4.852 1.00 0.00 H new ATOM 0 HA ARG A 81 4.877 -2.536 4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.597 -4.969 3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.878 -3.704 2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.767 -2.266 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.661 -2.757 5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.436 -3.838 6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.147 -5.055 5.153 1.00 0.00 H new ATOM 0 HE ARG A 81 9.747 -3.244 3.827 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.986 -4.938 6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.752 -4.974 6.893 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.013 -3.300 3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.893 -4.052 5.139 1.00 0.00 H new ATOM 1268 N LEU A 82 3.908 -4.730 1.887 1.00 0.00 N ATOM 1269 CA LEU A 82 3.333 -4.890 0.557 1.00 0.00 C ATOM 1270 C LEU A 82 2.187 -3.907 0.337 1.00 0.00 C ATOM 1271 O LEU A 82 2.099 -3.266 -0.710 1.00 0.00 O ATOM 1272 CB LEU A 82 2.835 -6.325 0.365 1.00 0.00 C ATOM 1273 CG LEU A 82 3.853 -7.287 -0.249 1.00 0.00 C ATOM 1274 CD1 LEU A 82 3.320 -8.710 -0.231 1.00 0.00 C ATOM 1275 CD2 LEU A 82 4.197 -6.861 -1.669 1.00 0.00 C ATOM 0 H LEU A 82 3.873 -5.570 2.465 1.00 0.00 H new ATOM 0 HA LEU A 82 4.111 -4.681 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.524 -6.718 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.949 -6.304 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 82 4.763 -7.255 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.058 -9.380 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.124 -9.012 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.395 -8.760 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.923 -7.556 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.294 -6.864 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.622 -5.857 -1.655 1.00 0.00 H new ATOM 1287 N VAL A 83 1.312 -3.793 1.332 1.00 0.00 N ATOM 1288 CA VAL A 83 0.173 -2.887 1.245 1.00 0.00 C ATOM 1289 C VAL A 83 0.629 -1.432 1.244 1.00 0.00 C ATOM 1290 O VAL A 83 0.045 -0.589 0.562 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.807 -3.105 2.414 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.080 -2.302 2.199 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.120 -4.583 2.579 1.00 0.00 C ATOM 0 H VAL A 83 1.370 -4.316 2.206 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.337 -3.107 0.307 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.335 -2.754 3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.760 -2.468 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.835 -1.242 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.558 -2.620 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.813 -4.718 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.572 -4.964 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.199 -5.129 2.783 1.00 0.00 H new ATOM 1303 N ASN A 84 1.674 -1.144 2.012 1.00 0.00 N ATOM 1304 CA ASN A 84 2.209 0.211 2.099 1.00 0.00 C ATOM 1305 C ASN A 84 2.996 0.566 0.841 1.00 0.00 C ATOM 1306 O ASN A 84 2.954 1.702 0.371 1.00 0.00 O ATOM 1307 CB ASN A 84 3.104 0.350 3.331 1.00 0.00 C ATOM 1308 CG ASN A 84 2.307 0.403 4.620 1.00 0.00 C ATOM 1309 OD1 ASN A 84 1.564 1.353 4.866 1.00 0.00 O ATOM 1310 ND2 ASN A 84 2.459 -0.620 5.453 1.00 0.00 N ATOM 0 H ASN A 84 2.168 -1.830 2.583 1.00 0.00 H new ATOM 0 HA ASN A 84 1.370 0.902 2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.797 -0.490 3.370 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.704 1.255 3.241 1.00 0.00 H new ATOM 0 HD21 ASN A 84 1.949 -0.639 6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.085 -1.387 5.210 1.00 0.00 H new ATOM 1317 N GLU A 85 3.716 -0.413 0.304 1.00 0.00 N ATOM 1318 CA GLU A 85 4.514 -0.203 -0.899 1.00 0.00 C ATOM 1319 C GLU A 85 3.636 0.234 -2.067 1.00 0.00 C ATOM 1320 O GLU A 85 3.918 1.231 -2.730 1.00 0.00 O ATOM 1321 CB GLU A 85 5.270 -1.482 -1.264 1.00 0.00 C ATOM 1322 CG GLU A 85 6.511 -1.716 -0.418 1.00 0.00 C ATOM 1323 CD GLU A 85 7.712 -2.132 -1.245 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.817 -3.330 -1.579 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.548 -1.258 -1.558 1.00 0.00 O ATOM 0 H GLU A 85 3.764 -1.359 0.682 1.00 0.00 H new ATOM 0 HA GLU A 85 5.233 0.590 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.600 -2.334 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.559 -1.436 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.750 -0.804 0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.301 -2.487 0.323 1.00 0.00 H new ATOM 1332 N CYS A 86 2.569 -0.520 -2.313 1.00 0.00 N ATOM 1333 CA CYS A 86 1.649 -0.211 -3.401 1.00 0.00 C ATOM 1334 C CYS A 86 1.030 1.171 -3.211 1.00 0.00 C ATOM 1335 O CYS A 86 0.852 1.919 -4.172 1.00 0.00 O ATOM 1336 CB CYS A 86 0.547 -1.269 -3.482 1.00 0.00 C ATOM 1337 SG CYS A 86 -0.253 -1.378 -5.100 1.00 0.00 S ATOM 0 H CYS A 86 2.321 -1.349 -1.773 1.00 0.00 H new ATOM 0 HA CYS A 86 2.213 -0.213 -4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.972 -2.241 -3.232 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.209 -1.049 -2.729 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.269 -2.617 -5.494 1.00 0.00 H new ATOM 1343 N LEU A 87 0.705 1.502 -1.966 1.00 0.00 N ATOM 1344 CA LEU A 87 0.107 2.794 -1.649 1.00 0.00 C ATOM 1345 C LEU A 87 1.162 3.775 -1.146 1.00 0.00 C ATOM 1346 O LEU A 87 0.855 4.699 -0.395 1.00 0.00 O ATOM 1347 CB LEU A 87 -0.989 2.625 -0.594 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.309 2.051 -1.112 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.044 3.081 -1.955 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -2.063 0.780 -1.913 1.00 0.00 C ATOM 0 H LEU A 87 0.846 0.893 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.332 3.196 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.613 1.974 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.187 3.596 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.934 1.800 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.981 2.655 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.255 3.963 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.424 3.365 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.014 0.387 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.418 1.004 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.580 0.037 -1.278 1.00 0.00 H new ATOM 1362 N ALA A 88 2.407 3.565 -1.562 1.00 0.00 N ATOM 1363 CA ALA A 88 3.507 4.430 -1.150 1.00 0.00 C ATOM 1364 C ALA A 88 3.318 5.853 -1.664 1.00 0.00 C ATOM 1365 O ALA A 88 3.545 6.820 -0.939 1.00 0.00 O ATOM 1366 CB ALA A 88 4.832 3.864 -1.637 1.00 0.00 C ATOM 0 H ALA A 88 2.679 2.804 -2.184 1.00 0.00 H new ATOM 0 HA ALA A 88 3.515 4.467 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.645 4.519 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.981 2.871 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.821 3.796 -2.725 1.00 0.00 H new ATOM 1372 N GLU A 89 2.906 5.975 -2.921 1.00 0.00 N ATOM 1373 CA GLU A 89 2.692 7.282 -3.533 1.00 0.00 C ATOM 1374 C GLU A 89 1.403 7.925 -3.026 1.00 0.00 C ATOM 1375 O GLU A 89 1.356 9.129 -2.775 1.00 0.00 O ATOM 1376 CB GLU A 89 2.645 7.153 -5.056 1.00 0.00 C ATOM 1377 CG GLU A 89 3.912 6.567 -5.657 1.00 0.00 C ATOM 1378 CD GLU A 89 3.865 6.504 -7.171 1.00 0.00 C ATOM 1379 OE1 GLU A 89 3.438 7.500 -7.793 1.00 0.00 O ATOM 1380 OE2 GLU A 89 4.252 5.459 -7.734 1.00 0.00 O ATOM 0 H GLU A 89 2.713 5.185 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 89 3.527 7.924 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.798 6.526 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.468 8.137 -5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.767 7.168 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.068 5.564 -5.260 1.00 0.00 H new ATOM 1387 N GLU A 90 0.357 7.117 -2.889 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.935 7.607 -2.422 1.00 0.00 C ATOM 1389 C GLU A 90 -0.929 7.869 -0.917 1.00 0.00 C ATOM 1390 O GLU A 90 -1.619 8.766 -0.434 1.00 0.00 O ATOM 1391 CB GLU A 90 -2.036 6.603 -2.767 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.320 6.500 -4.258 1.00 0.00 C ATOM 1393 CD GLU A 90 -1.439 5.480 -4.950 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -0.380 5.129 -4.387 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -1.807 5.030 -6.057 1.00 0.00 O ATOM 0 H GLU A 90 0.379 6.118 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.131 8.552 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.751 5.620 -2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.952 6.889 -2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.366 6.232 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.172 7.476 -4.721 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.158 7.074 -0.177 1.00 0.00 N ATOM 1403 CA LEU A 91 -0.076 7.211 1.278 1.00 0.00 C ATOM 1404 C LEU A 91 0.078 8.673 1.702 1.00 0.00 C ATOM 1405 O LEU A 91 -0.729 9.188 2.475 1.00 0.00 O ATOM 1406 CB LEU A 91 1.086 6.379 1.828 1.00 0.00 C ATOM 1407 CG LEU A 91 0.682 5.057 2.484 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.892 4.380 3.108 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.401 5.288 3.529 1.00 0.00 C ATOM 0 H LEU A 91 0.420 6.327 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.012 6.840 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.778 6.166 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.629 6.979 2.559 1.00 0.00 H new ATOM 0 HG LEU A 91 0.280 4.399 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.586 3.441 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.635 4.179 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.324 5.033 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.676 4.337 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.027 5.964 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.277 5.729 3.054 1.00 0.00 H new ATOM 1421 N PRO A 92 1.120 9.362 1.207 1.00 0.00 N ATOM 1422 CA PRO A 92 1.370 10.765 1.545 1.00 0.00 C ATOM 1423 C PRO A 92 0.102 11.613 1.494 1.00 0.00 C ATOM 1424 O PRO A 92 -0.080 12.526 2.300 1.00 0.00 O ATOM 1425 CB PRO A 92 2.354 11.210 0.465 1.00 0.00 C ATOM 1426 CG PRO A 92 3.102 9.972 0.106 1.00 0.00 C ATOM 1427 CD PRO A 92 2.138 8.827 0.283 1.00 0.00 C ATOM 0 HA PRO A 92 1.744 10.881 2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.834 11.624 -0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.025 11.985 0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.463 10.020 -0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.976 9.847 0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.697 8.525 -0.667 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.632 7.949 0.698 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.774 11.301 0.544 1.00 0.00 N ATOM 1436 CA HIS A 93 -2.028 12.031 0.393 1.00 0.00 C ATOM 1437 C HIS A 93 -3.022 11.633 1.480 1.00 0.00 C ATOM 1438 O HIS A 93 -3.850 12.439 1.904 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.632 11.767 -0.988 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.752 12.202 -2.119 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.865 13.433 -2.730 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.739 11.562 -2.750 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.961 13.531 -3.688 1.00 0.00 C ATOM 1444 NE2 HIS A 93 -0.264 12.410 -3.720 1.00 0.00 N ATOM 0 H HIS A 93 -0.639 10.549 -0.132 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.815 13.095 0.492 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.838 10.701 -1.088 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.588 12.285 -1.062 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.373 10.570 -2.531 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.816 14.383 -4.335 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.503 12.207 -4.361 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.932 10.383 1.925 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.820 9.873 2.963 1.00 0.00 C ATOM 1455 C ILE A 94 -3.437 10.417 4.336 1.00 0.00 C ATOM 1456 O ILE A 94 -2.373 10.097 4.864 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.794 8.332 3.017 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.977 7.746 1.616 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.869 7.812 3.962 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.336 8.030 1.012 1.00 0.00 C ATOM 0 H ILE A 94 -2.252 9.704 1.582 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.825 10.209 2.707 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.823 8.015 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.206 8.149 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.827 6.667 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.835 6.723 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.693 8.204 4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.849 8.137 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.393 7.584 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.113 7.603 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.482 9.107 0.935 1.00 0.00 H new ATOM 1472 N HIS A 95 -4.313 11.235 4.911 1.00 0.00 N ATOM 1473 CA HIS A 95 -4.062 11.814 6.226 1.00 0.00 C ATOM 1474 C HIS A 95 -3.928 10.716 7.275 1.00 0.00 C ATOM 1475 O HIS A 95 -3.159 10.840 8.228 1.00 0.00 O ATOM 1476 CB HIS A 95 -5.193 12.770 6.611 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.801 13.773 7.651 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -5.089 13.621 8.991 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -4.138 14.949 7.542 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -4.621 14.659 9.660 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -4.039 15.479 8.805 1.00 0.00 N ATOM 0 H HIS A 95 -5.200 11.511 4.489 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.127 12.373 6.183 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.532 13.297 5.719 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.039 12.189 6.979 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.758 15.388 6.631 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.701 14.811 10.726 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.589 16.363 9.044 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.681 9.637 7.084 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.651 8.506 8.002 1.00 0.00 C ATOM 1492 C ALA A 96 -4.957 7.207 7.268 1.00 0.00 C ATOM 1493 O ALA A 96 -6.052 7.027 6.733 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.638 8.719 9.139 1.00 0.00 C ATOM 0 H ALA A 96 -5.321 9.523 6.298 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.648 8.433 8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.603 7.865 9.816 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.375 9.625 9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.645 8.819 8.733 1.00 0.00 H new ATOM 1500 N PHE A 97 -3.983 6.306 7.238 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.146 5.024 6.563 1.00 0.00 C ATOM 1502 C PHE A 97 -4.049 3.867 7.551 1.00 0.00 C ATOM 1503 O PHE A 97 -3.032 3.694 8.222 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.089 4.866 5.468 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.476 3.891 4.393 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.223 2.536 4.542 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.094 4.329 3.232 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -3.577 1.638 3.554 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.449 3.435 2.240 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.191 2.087 2.402 1.00 0.00 C ATOM 0 H PHE A 97 -3.071 6.439 7.674 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.137 5.004 6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.901 5.839 5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.153 4.540 5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.743 2.178 5.441 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.300 5.381 3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.374 0.585 3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.928 3.789 1.339 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.469 1.386 1.629 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.113 3.075 7.631 1.00 0.00 N ATOM 1521 CA GLU A 98 -5.150 1.930 8.534 1.00 0.00 C ATOM 1522 C GLU A 98 -5.574 0.669 7.789 1.00 0.00 C ATOM 1523 O GLU A 98 -6.667 0.607 7.226 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.109 2.199 9.695 1.00 0.00 C ATOM 1525 CG GLU A 98 -6.181 1.062 10.700 1.00 0.00 C ATOM 1526 CD GLU A 98 -7.425 1.126 11.565 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -7.467 1.973 12.482 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -8.356 0.329 11.325 1.00 0.00 O ATOM 0 H GLU A 98 -5.962 3.205 7.081 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.147 1.777 8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.798 3.108 10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.106 2.384 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.161 0.111 10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.298 1.089 11.338 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.702 -0.334 7.788 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.986 -1.592 7.110 1.00 0.00 C ATOM 1537 C GLN A 99 -4.789 -2.777 8.050 1.00 0.00 C ATOM 1538 O GLN A 99 -3.863 -2.792 8.860 1.00 0.00 O ATOM 1539 CB GLN A 99 -4.087 -1.748 5.881 1.00 0.00 C ATOM 1540 CG GLN A 99 -2.604 -1.678 6.201 1.00 0.00 C ATOM 1541 CD GLN A 99 -1.946 -3.044 6.220 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -2.512 -4.011 6.731 1.00 0.00 O ATOM 1543 NE2 GLN A 99 -0.745 -3.130 5.662 1.00 0.00 N ATOM 0 H GLN A 99 -3.793 -0.299 8.249 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.028 -1.574 6.791 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.302 -2.703 5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.332 -0.968 5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.106 -1.049 5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.468 -1.200 7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.314 -2.303 5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.253 -4.024 5.645 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.665 -3.770 7.934 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.588 -4.960 8.772 1.00 0.00 C ATOM 1554 C LYS A 100 -5.590 -6.225 7.918 1.00 0.00 C ATOM 1555 O LYS A 100 -6.535 -6.480 7.172 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.759 -4.993 9.757 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.390 -5.555 11.119 1.00 0.00 C ATOM 1558 CD LYS A 100 -7.622 -6.007 11.887 1.00 0.00 C ATOM 1559 CE LYS A 100 -8.075 -4.953 12.884 1.00 0.00 C ATOM 1560 NZ LYS A 100 -7.456 -5.152 14.224 1.00 0.00 N ATOM 0 H LYS A 100 -6.437 -3.774 7.267 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.654 -4.921 9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.146 -3.982 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.564 -5.592 9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.709 -6.397 10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.859 -4.797 11.695 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.431 -6.219 11.187 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.404 -6.937 12.413 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.816 -3.963 12.508 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.161 -4.985 12.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.791 -4.413 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.723 -6.086 14.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.421 -5.096 14.140 1.00 0.00 H new ATOM 1574 N THR A 101 -4.526 -7.013 8.034 1.00 0.00 N ATOM 1575 CA THR A 101 -4.405 -8.249 7.272 1.00 0.00 C ATOM 1576 C THR A 101 -4.551 -9.467 8.180 1.00 0.00 C ATOM 1577 O THR A 101 -3.969 -9.518 9.263 1.00 0.00 O ATOM 1578 CB THR A 101 -3.058 -8.298 6.549 1.00 0.00 C ATOM 1579 OG1 THR A 101 -1.991 -8.319 7.480 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.834 -7.123 5.621 1.00 0.00 C ATOM 0 H THR A 101 -3.736 -6.817 8.648 1.00 0.00 H new ATOM 0 HA THR A 101 -5.207 -8.270 6.534 1.00 0.00 H new ATOM 0 HB THR A 101 -3.082 -9.211 5.954 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.138 -8.352 6.999 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.861 -7.219 5.140 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.614 -7.106 4.860 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.866 -6.196 6.194 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.331 -10.444 7.731 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.553 -11.661 8.502 1.00 0.00 C ATOM 1590 C LEU A 102 -5.802 -12.851 7.579 1.00 0.00 C ATOM 1591 O LEU A 102 -6.091 -12.680 6.396 1.00 0.00 O ATOM 1592 CB LEU A 102 -6.739 -11.479 9.453 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.365 -11.158 10.902 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.611 -11.079 11.770 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.398 -12.198 11.445 1.00 0.00 C ATOM 0 H LEU A 102 -5.820 -10.417 6.836 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.655 -11.860 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.371 -10.678 9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.337 -12.390 9.442 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.871 -10.186 10.924 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.325 -10.850 12.797 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.268 -10.295 11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.134 -12.035 11.744 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.143 -11.954 12.476 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.865 -13.182 11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.492 -12.204 10.839 1.00 0.00 H new ATOM 1607 N THR A 103 -5.685 -14.054 8.130 1.00 0.00 N ATOM 1608 CA THR A 103 -5.897 -15.272 7.356 1.00 0.00 C ATOM 1609 C THR A 103 -7.388 -15.571 7.209 1.00 0.00 C ATOM 1610 O THR A 103 -8.193 -15.178 8.052 1.00 0.00 O ATOM 1611 CB THR A 103 -5.192 -16.454 8.023 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.797 -16.764 9.266 1.00 0.00 O ATOM 1613 CG2 THR A 103 -3.721 -16.207 8.278 1.00 0.00 C ATOM 0 H THR A 103 -5.445 -14.212 9.109 1.00 0.00 H new ATOM 0 HA THR A 103 -5.475 -15.120 6.363 1.00 0.00 H new ATOM 0 HB THR A 103 -5.289 -17.281 7.320 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.333 -17.524 9.675 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.282 -17.084 8.753 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.215 -16.015 7.332 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.605 -15.344 8.933 1.00 0.00 H new ATOM 1621 N PRO A 104 -7.773 -16.273 6.130 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.175 -16.624 5.876 1.00 0.00 C ATOM 1623 C PRO A 104 -9.826 -17.309 7.073 1.00 0.00 C ATOM 1624 O PRO A 104 -10.874 -16.877 7.553 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.092 -17.586 4.689 1.00 0.00 C ATOM 1626 CG PRO A 104 -7.824 -17.226 3.996 1.00 0.00 C ATOM 1627 CD PRO A 104 -6.876 -16.780 5.075 1.00 0.00 C ATOM 0 HA PRO A 104 -9.787 -15.743 5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.080 -18.624 5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.951 -17.473 4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.421 -18.079 3.451 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.989 -16.432 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.259 -17.604 5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.197 -16.005 4.718 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.198 -18.379 7.549 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.715 -19.124 8.690 1.00 0.00 C ATOM 1637 C GLU A 105 -9.824 -18.229 9.922 1.00 0.00 C ATOM 1638 O GLU A 105 -10.752 -18.363 10.719 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.815 -20.326 8.990 1.00 0.00 C ATOM 1640 CG GLU A 105 -9.425 -21.657 8.586 1.00 0.00 C ATOM 1641 CD GLU A 105 -8.413 -22.595 7.957 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -7.247 -22.600 8.408 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -8.785 -23.324 7.014 1.00 0.00 O ATOM 0 H GLU A 105 -8.330 -18.749 7.162 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.713 -19.482 8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.866 -20.198 8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.593 -20.346 10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.861 -22.134 9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.238 -21.481 7.882 1.00 0.00 H new ATOM 1650 N GLN A 106 -8.868 -17.318 10.071 1.00 0.00 N ATOM 1651 CA GLN A 106 -8.856 -16.401 11.204 1.00 0.00 C ATOM 1652 C GLN A 106 -10.110 -15.532 11.214 1.00 0.00 C ATOM 1653 O GLN A 106 -10.731 -15.334 12.258 1.00 0.00 O ATOM 1654 CB GLN A 106 -7.609 -15.515 11.158 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.408 -16.119 11.867 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.247 -15.604 13.284 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -5.282 -14.908 13.598 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -7.197 -15.944 14.148 1.00 0.00 N ATOM 0 H GLN A 106 -8.092 -17.195 9.421 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.838 -16.994 12.118 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.348 -15.323 10.117 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.841 -14.551 11.611 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.511 -17.204 11.888 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.505 -15.896 11.299 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.980 -16.523 13.844 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.144 -15.626 15.116 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.476 -15.016 10.046 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.656 -14.170 9.918 1.00 0.00 C ATOM 1669 C TRP A 107 -12.934 -14.999 9.984 1.00 0.00 C ATOM 1670 O TRP A 107 -13.950 -14.552 10.516 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.609 -13.387 8.608 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.058 -11.967 8.759 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.317 -11.482 8.559 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.253 -10.849 9.146 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.343 -10.128 8.793 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.088 -9.716 9.154 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -9.906 -10.697 9.484 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -11.618 -8.448 9.490 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.441 -9.439 9.817 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.295 -8.329 9.817 1.00 0.00 C ATOM 0 H TRP A 107 -9.971 -15.169 9.173 1.00 0.00 H new ATOM 0 HA TRP A 107 -11.659 -13.468 10.752 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.591 -13.401 8.219 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.239 -13.885 7.871 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.169 -12.075 8.260 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.164 -9.528 8.711 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.240 -11.547 9.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.274 -7.590 9.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.402 -9.310 10.082 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -9.901 -7.359 10.081 1.00 0.00 H new ATOM 1691 N THR A 108 -12.877 -16.210 9.440 1.00 0.00 N ATOM 1692 CA THR A 108 -14.030 -17.104 9.436 1.00 0.00 C ATOM 1693 C THR A 108 -14.504 -17.389 10.856 1.00 0.00 C ATOM 1694 O THR A 108 -15.693 -17.603 11.094 1.00 0.00 O ATOM 1695 CB THR A 108 -13.682 -18.415 8.729 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.005 -18.163 7.510 1.00 0.00 O ATOM 1697 CG2 THR A 108 -14.893 -19.265 8.415 1.00 0.00 C ATOM 0 H THR A 108 -12.044 -16.596 8.996 1.00 0.00 H new ATOM 0 HA THR A 108 -14.838 -16.611 8.896 1.00 0.00 H new ATOM 0 HB THR A 108 -13.047 -18.960 9.427 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.051 -18.024 7.688 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.576 -20.180 7.914 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.409 -19.519 9.341 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.568 -18.710 7.763 1.00 0.00 H new ATOM 1705 N ARG A 109 -13.567 -17.389 11.799 1.00 0.00 N ATOM 1706 CA ARG A 109 -13.890 -17.648 13.197 1.00 0.00 C ATOM 1707 C ARG A 109 -14.461 -16.399 13.863 1.00 0.00 C ATOM 1708 O ARG A 109 -15.289 -16.489 14.769 1.00 0.00 O ATOM 1709 CB ARG A 109 -12.646 -18.118 13.951 1.00 0.00 C ATOM 1710 CG ARG A 109 -12.107 -19.453 13.463 1.00 0.00 C ATOM 1711 CD ARG A 109 -10.900 -19.895 14.272 1.00 0.00 C ATOM 1712 NE ARG A 109 -11.267 -20.300 15.628 1.00 0.00 N ATOM 1713 CZ ARG A 109 -10.391 -20.453 16.618 1.00 0.00 C ATOM 1714 NH1 ARG A 109 -9.098 -20.236 16.410 1.00 0.00 N ATOM 1715 NH2 ARG A 109 -10.808 -20.823 17.821 1.00 0.00 N ATOM 0 H ARG A 109 -12.578 -17.213 11.620 1.00 0.00 H new ATOM 0 HA ARG A 109 -14.645 -18.434 13.230 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.866 -17.363 13.854 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.883 -18.197 15.012 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.889 -20.209 13.531 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -11.832 -19.373 12.411 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.409 -20.726 13.766 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.178 -19.080 14.320 1.00 0.00 H new ATOM 0 HE ARG A 109 -12.252 -20.476 15.827 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -8.771 -19.950 15.487 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.432 -20.355 17.173 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.800 -20.990 17.988 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -10.137 -20.940 18.580 1.00 0.00 H new ATOM 1729 N GLN A 110 -14.010 -15.234 13.407 1.00 0.00 N ATOM 1730 CA GLN A 110 -14.475 -13.967 13.960 1.00 0.00 C ATOM 1731 C GLN A 110 -15.560 -13.354 13.078 1.00 0.00 C ATOM 1732 O GLN A 110 -15.531 -12.160 12.779 1.00 0.00 O ATOM 1733 CB GLN A 110 -13.305 -12.991 14.104 1.00 0.00 C ATOM 1734 CG GLN A 110 -12.445 -13.250 15.330 1.00 0.00 C ATOM 1735 CD GLN A 110 -11.671 -12.022 15.768 1.00 0.00 C ATOM 1736 OE1 GLN A 110 -11.652 -11.005 15.074 1.00 0.00 O ATOM 1737 NE2 GLN A 110 -11.026 -12.112 16.925 1.00 0.00 N ATOM 0 H GLN A 110 -13.324 -15.142 12.657 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.900 -14.162 14.945 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -12.680 -13.051 13.213 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.695 -11.974 14.152 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.079 -13.587 16.150 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.746 -14.058 15.115 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.070 -12.975 17.467 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -10.487 -11.318 17.271 1.00 0.00 H new ATOM 1746 N ARG A 111 -16.517 -14.180 12.668 1.00 0.00 N ATOM 1747 CA ARG A 111 -17.612 -13.719 11.822 1.00 0.00 C ATOM 1748 C ARG A 111 -18.850 -13.402 12.657 1.00 0.00 C ATOM 1749 O ARG A 111 -19.976 -13.684 12.249 1.00 0.00 O ATOM 1750 CB ARG A 111 -17.951 -14.777 10.769 1.00 0.00 C ATOM 1751 CG ARG A 111 -17.032 -14.746 9.559 1.00 0.00 C ATOM 1752 CD ARG A 111 -17.614 -13.896 8.440 1.00 0.00 C ATOM 1753 NE ARG A 111 -16.658 -13.694 7.354 1.00 0.00 N ATOM 1754 CZ ARG A 111 -17.000 -13.304 6.128 1.00 0.00 C ATOM 1755 NH1 ARG A 111 -18.273 -13.072 5.829 1.00 0.00 N ATOM 1756 NH2 ARG A 111 -16.069 -13.144 5.199 1.00 0.00 N ATOM 0 H ARG A 111 -16.557 -15.171 12.907 1.00 0.00 H new ATOM 0 HA ARG A 111 -17.290 -12.806 11.321 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.900 -15.764 11.228 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -18.979 -14.632 10.438 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -16.059 -14.350 9.850 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -16.868 -15.762 9.199 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -18.511 -14.376 8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -17.918 -12.929 8.840 1.00 0.00 H new ATOM 0 HE ARG A 111 -15.670 -13.862 7.546 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -18.994 -13.192 6.540 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -18.530 -12.773 4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -15.090 -13.320 5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -16.332 -12.845 4.260 1.00 0.00 H new ATOM 1770 N ARG A 112 -18.631 -12.812 13.828 1.00 0.00 N ATOM 1771 CA ARG A 112 -19.727 -12.455 14.722 1.00 0.00 C ATOM 1772 C ARG A 112 -20.377 -11.145 14.290 1.00 0.00 C ATOM 1773 O ARG A 112 -19.689 -10.185 13.943 1.00 0.00 O ATOM 1774 CB ARG A 112 -19.222 -12.338 16.161 1.00 0.00 C ATOM 1775 CG ARG A 112 -20.333 -12.349 17.199 1.00 0.00 C ATOM 1776 CD ARG A 112 -19.842 -11.841 18.545 1.00 0.00 C ATOM 1777 NE ARG A 112 -20.866 -11.069 19.245 1.00 0.00 N ATOM 1778 CZ ARG A 112 -21.907 -11.614 19.871 1.00 0.00 C ATOM 1779 NH1 ARG A 112 -22.066 -12.932 19.887 1.00 0.00 N ATOM 1780 NH2 ARG A 112 -22.792 -10.839 20.483 1.00 0.00 N ATOM 0 H ARG A 112 -17.704 -12.571 14.180 1.00 0.00 H new ATOM 0 HA ARG A 112 -20.476 -13.245 14.671 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -18.537 -13.161 16.365 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -18.650 -11.416 16.263 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -21.160 -11.729 16.855 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -20.719 -13.362 17.310 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -19.539 -12.686 19.163 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -18.958 -11.221 18.398 1.00 0.00 H new ATOM 0 HE ARG A 112 -20.778 -10.053 19.255 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -21.388 -13.533 19.418 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -22.866 -13.343 20.368 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -22.675 -9.826 20.474 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -23.590 -11.256 20.963 1.00 0.00 H new ATOM 1794 N GLU A 113 -21.705 -11.111 14.316 1.00 0.00 N ATOM 1795 CA GLU A 113 -22.447 -9.918 13.927 1.00 0.00 C ATOM 1796 C GLU A 113 -22.490 -8.908 15.069 1.00 0.00 C ATOM 1797 O GLU A 113 -22.319 -7.701 14.797 1.00 0.00 O ATOM 1798 CB GLU A 113 -23.870 -10.291 13.506 1.00 0.00 C ATOM 1799 CG GLU A 113 -24.002 -10.613 12.027 1.00 0.00 C ATOM 1800 CD GLU A 113 -25.285 -10.076 11.424 1.00 0.00 C ATOM 1801 OE1 GLU A 113 -25.785 -9.042 11.917 1.00 0.00 O ATOM 1802 OE2 GLU A 113 -25.792 -10.689 10.462 1.00 0.00 O ATOM 1803 OXT GLU A 113 -22.695 -9.333 16.226 1.00 0.00 O ATOM 0 H GLU A 113 -22.289 -11.896 14.603 1.00 0.00 H new ATOM 0 HA GLU A 113 -21.934 -9.461 13.081 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -24.198 -11.153 14.088 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -24.540 -9.467 13.751 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -23.150 -10.195 11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -23.965 -11.694 11.890 1.00 0.00 H new TER 1810 GLU A 113