USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 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 25 LYS NZ :NH3+ 136:sc= 0.607 (180deg=0.0231) USER MOD Set 1.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 5 HIS : no HD1:sc= -0.337 K(o=-2.1,f=-2.6) USER MOD Set 2.2: A 10 HIS : no HD1:sc= -1.75! X(o=-2.1!,f=-1.9) USER MOD Set 3.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 4 SER OG : rot 92:sc= 0.402 USER MOD Set 3.3: A 8 HIS : no HD1:sc= -0.0334 X(o=0.37,f=0.37) USER MOD Single : A 1 MET CE :methyl -141:sc= -0.141 (180deg=-0.462) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 9 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.31) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0325 X(o=-0.032,f=-0.39) USER MOD Single : A 21 MET CE :methyl -135:sc= -0.0958 (180deg=-1.18) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 37:sc= -1.35! USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.77) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0403 USER MOD Single : A 58 MET CE :methyl -165:sc= -3.62! (180deg=-4.17!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0621 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.0017) USER MOD Single : A 75 THR OG1 : rot -11:sc= 0.184 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 158:sc= -0.0499 (180deg=-0.902) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -37.328 -7.428 -11.875 1.00 15.70 N ATOM 2 CA MET A 1 -37.396 -8.775 -11.243 1.00 15.43 C ATOM 3 C MET A 1 -37.653 -8.672 -9.739 1.00 14.95 C ATOM 4 O MET A 1 -37.208 -7.723 -9.088 1.00 14.98 O ATOM 5 CB MET A 1 -36.076 -9.508 -11.505 1.00 15.55 C ATOM 6 CG MET A 1 -36.181 -11.020 -11.383 1.00 15.65 C ATOM 7 SD MET A 1 -37.051 -11.772 -12.773 1.00 16.05 S ATOM 8 CE MET A 1 -38.626 -12.166 -12.016 1.00 16.03 C ATOM 0 H1 MET A 1 -37.153 -7.532 -12.895 1.00 15.70 H new ATOM 0 H2 MET A 1 -38.229 -6.929 -11.727 1.00 15.70 H new ATOM 0 H3 MET A 1 -36.555 -6.881 -11.445 1.00 15.70 H new ATOM 0 HA MET A 1 -38.227 -9.330 -11.679 1.00 15.43 H new ATOM 0 HB2 MET A 1 -35.724 -9.257 -12.505 1.00 15.55 H new ATOM 0 HB3 MET A 1 -35.325 -9.147 -10.803 1.00 15.55 H new ATOM 0 HG2 MET A 1 -35.180 -11.445 -11.313 1.00 15.65 H new ATOM 0 HG3 MET A 1 -36.699 -11.271 -10.457 1.00 15.65 H new ATOM 0 HE1 MET A 1 -38.975 -13.132 -12.383 1.00 16.03 H new ATOM 0 HE2 MET A 1 -38.508 -12.210 -10.933 1.00 16.03 H new ATOM 0 HE3 MET A 1 -39.355 -11.397 -12.271 1.00 16.03 H new ATOM 20 N GLY A 2 -38.371 -9.657 -9.196 1.00 14.67 N ATOM 21 CA GLY A 2 -38.677 -9.668 -7.775 1.00 14.38 C ATOM 22 C GLY A 2 -37.432 -9.772 -6.912 1.00 13.90 C ATOM 23 O GLY A 2 -36.572 -10.621 -7.158 1.00 14.15 O ATOM 0 H GLY A 2 -38.746 -10.449 -9.718 1.00 14.67 H new ATOM 0 HA2 GLY A 2 -39.219 -8.758 -7.517 1.00 14.38 H new ATOM 0 HA3 GLY A 2 -39.338 -10.506 -7.556 1.00 14.38 H new ATOM 27 N SER A 3 -37.335 -8.902 -5.903 1.00 13.38 N ATOM 28 CA SER A 3 -36.187 -8.884 -4.995 1.00 13.07 C ATOM 29 C SER A 3 -34.886 -8.633 -5.763 1.00 12.62 C ATOM 30 O SER A 3 -33.918 -9.388 -5.638 1.00 12.57 O ATOM 31 CB SER A 3 -36.101 -10.201 -4.212 1.00 13.15 C ATOM 32 OG SER A 3 -37.267 -10.411 -3.434 1.00 13.46 O ATOM 0 H SER A 3 -38.043 -8.197 -5.694 1.00 13.38 H new ATOM 0 HA SER A 3 -36.327 -8.067 -4.288 1.00 13.07 H new ATOM 0 HB2 SER A 3 -35.969 -11.032 -4.905 1.00 13.15 H new ATOM 0 HB3 SER A 3 -35.225 -10.185 -3.563 1.00 13.15 H new ATOM 0 HG SER A 3 -37.187 -11.257 -2.947 1.00 13.46 H new ATOM 38 N SER A 4 -34.874 -7.563 -6.560 1.00 12.48 N ATOM 39 CA SER A 4 -33.698 -7.202 -7.352 1.00 12.24 C ATOM 40 C SER A 4 -32.659 -6.465 -6.506 1.00 11.93 C ATOM 41 O SER A 4 -31.458 -6.595 -6.743 1.00 12.22 O ATOM 42 CB SER A 4 -34.106 -6.338 -8.549 1.00 12.51 C ATOM 43 OG SER A 4 -34.375 -7.138 -9.687 1.00 12.91 O ATOM 0 H SER A 4 -35.667 -6.931 -6.674 1.00 12.48 H new ATOM 0 HA SER A 4 -33.246 -8.126 -7.714 1.00 12.24 H new ATOM 0 HB2 SER A 4 -34.990 -5.753 -8.295 1.00 12.51 H new ATOM 0 HB3 SER A 4 -33.310 -5.630 -8.778 1.00 12.51 H new ATOM 0 HG SER A 4 -35.329 -7.360 -9.713 1.00 12.91 H new ATOM 49 N HIS A 5 -33.125 -5.692 -5.520 1.00 11.56 N ATOM 50 CA HIS A 5 -32.231 -4.937 -4.642 1.00 11.47 C ATOM 51 C HIS A 5 -31.583 -5.856 -3.600 1.00 11.01 C ATOM 52 O HIS A 5 -31.866 -5.760 -2.404 1.00 11.28 O ATOM 53 CB HIS A 5 -32.998 -3.800 -3.954 1.00 11.90 C ATOM 54 CG HIS A 5 -32.319 -2.469 -4.052 1.00 12.26 C ATOM 55 ND1 HIS A 5 -31.953 -1.727 -2.948 1.00 12.45 N ATOM 56 CD2 HIS A 5 -31.942 -1.742 -5.132 1.00 12.68 C ATOM 57 CE1 HIS A 5 -31.383 -0.603 -3.345 1.00 12.96 C ATOM 58 NE2 HIS A 5 -31.363 -0.589 -4.664 1.00 13.10 N ATOM 0 H HIS A 5 -34.116 -5.574 -5.311 1.00 11.56 H new ATOM 0 HA HIS A 5 -31.437 -4.505 -5.251 1.00 11.47 H new ATOM 0 HB2 HIS A 5 -33.991 -3.724 -4.396 1.00 11.90 H new ATOM 0 HB3 HIS A 5 -33.136 -4.051 -2.902 1.00 11.90 H new ATOM 0 HD2 HIS A 5 -32.073 -2.018 -6.168 1.00 12.68 H new ATOM 0 HE1 HIS A 5 -30.999 0.173 -2.699 1.00 12.96 H new ATOM 0 HE2 HIS A 5 -30.979 0.158 -5.243 1.00 13.10 H new ATOM 67 N HIS A 6 -30.711 -6.749 -4.074 1.00 10.51 N ATOM 68 CA HIS A 6 -30.012 -7.696 -3.207 1.00 10.27 C ATOM 69 C HIS A 6 -29.015 -8.529 -4.012 1.00 9.80 C ATOM 70 O HIS A 6 -27.811 -8.491 -3.754 1.00 10.12 O ATOM 71 CB HIS A 6 -31.012 -8.618 -2.496 1.00 10.52 C ATOM 72 CG HIS A 6 -30.362 -9.654 -1.630 1.00 10.78 C ATOM 73 ND1 HIS A 6 -29.586 -9.341 -0.534 1.00 11.04 N ATOM 74 CD2 HIS A 6 -30.372 -11.006 -1.707 1.00 11.07 C ATOM 75 CE1 HIS A 6 -29.146 -10.454 0.025 1.00 11.46 C ATOM 76 NE2 HIS A 6 -29.610 -11.479 -0.668 1.00 11.49 N ATOM 0 H HIS A 6 -30.472 -6.835 -5.062 1.00 10.51 H new ATOM 0 HA HIS A 6 -29.466 -7.126 -2.456 1.00 10.27 H new ATOM 0 HB2 HIS A 6 -31.680 -8.012 -1.884 1.00 10.52 H new ATOM 0 HB3 HIS A 6 -31.629 -9.117 -3.244 1.00 10.52 H new ATOM 0 HD2 HIS A 6 -30.884 -11.601 -2.448 1.00 11.07 H new ATOM 0 HE1 HIS A 6 -28.515 -10.516 0.899 1.00 11.46 H new ATOM 0 HE2 HIS A 6 -29.431 -12.462 -0.464 1.00 11.49 H new ATOM 85 N HIS A 7 -29.529 -9.279 -4.989 1.00 9.28 N ATOM 86 CA HIS A 7 -28.693 -10.123 -5.839 1.00 9.07 C ATOM 87 C HIS A 7 -28.530 -9.510 -7.230 1.00 8.74 C ATOM 88 O HIS A 7 -27.414 -9.420 -7.747 1.00 8.82 O ATOM 89 CB HIS A 7 -29.297 -11.527 -5.950 1.00 9.20 C ATOM 90 CG HIS A 7 -28.548 -12.435 -6.877 1.00 9.61 C ATOM 91 ND1 HIS A 7 -28.835 -12.540 -8.223 1.00 9.79 N ATOM 92 CD2 HIS A 7 -27.514 -13.280 -6.649 1.00 10.15 C ATOM 93 CE1 HIS A 7 -28.011 -13.409 -8.780 1.00 10.40 C ATOM 94 NE2 HIS A 7 -27.200 -13.872 -7.847 1.00 10.61 N ATOM 0 H HIS A 7 -30.524 -9.318 -5.210 1.00 9.28 H new ATOM 0 HA HIS A 7 -27.707 -10.195 -5.380 1.00 9.07 H new ATOM 0 HB2 HIS A 7 -29.327 -11.979 -4.959 1.00 9.20 H new ATOM 0 HB3 HIS A 7 -30.328 -11.443 -6.293 1.00 9.20 H new ATOM 0 HD2 HIS A 7 -27.027 -13.455 -5.701 1.00 10.15 H new ATOM 0 HE1 HIS A 7 -28.002 -13.693 -9.822 1.00 10.40 H new ATOM 0 HE2 HIS A 7 -26.460 -14.559 -7.993 1.00 10.61 H new ATOM 103 N HIS A 8 -29.648 -9.096 -7.833 1.00 8.65 N ATOM 104 CA HIS A 8 -29.629 -8.496 -9.166 1.00 8.66 C ATOM 105 C HIS A 8 -28.814 -7.201 -9.174 1.00 8.44 C ATOM 106 O HIS A 8 -27.716 -7.159 -9.731 1.00 8.47 O ATOM 107 CB HIS A 8 -31.059 -8.232 -9.654 1.00 9.07 C ATOM 108 CG HIS A 8 -31.127 -7.482 -10.950 1.00 9.55 C ATOM 109 ND1 HIS A 8 -30.656 -7.991 -12.142 1.00 9.88 N ATOM 110 CD2 HIS A 8 -31.613 -6.250 -11.236 1.00 10.01 C ATOM 111 CE1 HIS A 8 -30.849 -7.106 -13.103 1.00 10.49 C ATOM 112 NE2 HIS A 8 -31.428 -6.042 -12.580 1.00 10.58 N ATOM 0 H HIS A 8 -30.577 -9.166 -7.417 1.00 8.65 H new ATOM 0 HA HIS A 8 -29.151 -9.200 -9.847 1.00 8.66 H new ATOM 0 HB2 HIS A 8 -31.575 -9.185 -9.769 1.00 9.07 H new ATOM 0 HB3 HIS A 8 -31.595 -7.669 -8.890 1.00 9.07 H new ATOM 0 HD2 HIS A 8 -32.062 -5.560 -10.537 1.00 10.01 H new ATOM 0 HE1 HIS A 8 -30.579 -7.232 -14.141 1.00 10.49 H new ATOM 0 HE2 HIS A 8 -31.695 -5.201 -13.092 1.00 10.58 H new ATOM 121 N HIS A 9 -29.356 -6.150 -8.554 1.00 8.53 N ATOM 122 CA HIS A 9 -28.676 -4.858 -8.495 1.00 8.67 C ATOM 123 C HIS A 9 -29.163 -4.026 -7.310 1.00 8.77 C ATOM 124 O HIS A 9 -30.352 -3.718 -7.201 1.00 9.08 O ATOM 125 CB HIS A 9 -28.893 -4.080 -9.797 1.00 9.17 C ATOM 126 CG HIS A 9 -27.892 -4.399 -10.865 1.00 9.61 C ATOM 127 ND1 HIS A 9 -28.245 -4.679 -12.168 1.00 9.96 N ATOM 128 CD2 HIS A 9 -26.541 -4.483 -10.818 1.00 10.03 C ATOM 129 CE1 HIS A 9 -27.156 -4.923 -12.875 1.00 10.55 C ATOM 130 NE2 HIS A 9 -26.109 -4.809 -12.079 1.00 10.60 N ATOM 0 H HIS A 9 -30.263 -6.170 -8.087 1.00 8.53 H new ATOM 0 HA HIS A 9 -27.611 -5.051 -8.363 1.00 8.67 H new ATOM 0 HB2 HIS A 9 -29.893 -4.293 -10.174 1.00 9.17 H new ATOM 0 HB3 HIS A 9 -28.854 -3.012 -9.582 1.00 9.17 H new ATOM 0 HD2 HIS A 9 -25.919 -4.323 -9.949 1.00 10.03 H new ATOM 0 HE1 HIS A 9 -27.127 -5.173 -13.925 1.00 10.55 H new ATOM 0 HE2 HIS A 9 -25.136 -4.942 -12.356 1.00 10.60 H new ATOM 139 N HIS A 10 -28.229 -3.656 -6.434 1.00 8.77 N ATOM 140 CA HIS A 10 -28.544 -2.844 -5.259 1.00 9.16 C ATOM 141 C HIS A 10 -28.397 -1.355 -5.596 1.00 9.18 C ATOM 142 O HIS A 10 -28.468 -0.978 -6.768 1.00 9.53 O ATOM 143 CB HIS A 10 -27.621 -3.233 -4.096 1.00 9.37 C ATOM 144 CG HIS A 10 -28.355 -3.713 -2.882 1.00 9.69 C ATOM 145 ND1 HIS A 10 -29.159 -2.897 -2.114 1.00 10.16 N ATOM 146 CD2 HIS A 10 -28.404 -4.936 -2.304 1.00 9.88 C ATOM 147 CE1 HIS A 10 -29.670 -3.597 -1.117 1.00 10.59 C ATOM 148 NE2 HIS A 10 -29.228 -4.837 -1.210 1.00 10.44 N ATOM 0 H HIS A 10 -27.244 -3.907 -6.517 1.00 8.77 H new ATOM 0 HA HIS A 10 -29.576 -3.027 -4.959 1.00 9.16 H new ATOM 0 HB2 HIS A 10 -26.939 -4.015 -4.430 1.00 9.37 H new ATOM 0 HB3 HIS A 10 -27.010 -2.372 -3.824 1.00 9.37 H new ATOM 0 HD2 HIS A 10 -27.890 -5.824 -2.641 1.00 9.88 H new ATOM 0 HE1 HIS A 10 -30.336 -3.219 -0.356 1.00 10.59 H new ATOM 0 HE2 HIS A 10 -29.461 -5.598 -0.573 1.00 10.44 H new ATOM 157 N SER A 11 -28.186 -0.512 -4.576 1.00 9.05 N ATOM 158 CA SER A 11 -28.019 0.929 -4.791 1.00 9.29 C ATOM 159 C SER A 11 -27.022 1.190 -5.923 1.00 9.09 C ATOM 160 O SER A 11 -27.250 2.047 -6.778 1.00 9.26 O ATOM 161 CB SER A 11 -27.546 1.615 -3.505 1.00 9.70 C ATOM 162 OG SER A 11 -26.385 0.988 -2.983 1.00 9.88 O ATOM 0 H SER A 11 -28.127 -0.802 -3.600 1.00 9.05 H new ATOM 0 HA SER A 11 -28.986 1.346 -5.073 1.00 9.29 H new ATOM 0 HB2 SER A 11 -27.335 2.665 -3.707 1.00 9.70 H new ATOM 0 HB3 SER A 11 -28.342 1.587 -2.761 1.00 9.70 H new ATOM 0 HG SER A 11 -26.105 1.448 -2.164 1.00 9.88 H new ATOM 168 N SER A 12 -25.929 0.423 -5.928 1.00 8.99 N ATOM 169 CA SER A 12 -24.903 0.537 -6.958 1.00 9.08 C ATOM 170 C SER A 12 -24.907 -0.711 -7.839 1.00 8.90 C ATOM 171 O SER A 12 -25.067 -1.828 -7.340 1.00 8.83 O ATOM 172 CB SER A 12 -23.524 0.728 -6.320 1.00 9.29 C ATOM 173 OG SER A 12 -23.414 2.003 -5.711 1.00 9.68 O ATOM 0 H SER A 12 -25.734 -0.288 -5.223 1.00 8.99 H new ATOM 0 HA SER A 12 -25.123 1.408 -7.576 1.00 9.08 H new ATOM 0 HB2 SER A 12 -23.354 -0.050 -5.575 1.00 9.29 H new ATOM 0 HB3 SER A 12 -22.750 0.617 -7.080 1.00 9.29 H new ATOM 0 HG SER A 12 -22.525 2.098 -5.310 1.00 9.68 H new ATOM 179 N GLY A 13 -24.740 -0.517 -9.148 1.00 9.09 N ATOM 180 CA GLY A 13 -24.736 -1.639 -10.076 1.00 9.25 C ATOM 181 C GLY A 13 -23.477 -2.481 -9.975 1.00 9.67 C ATOM 182 O GLY A 13 -22.556 -2.322 -10.778 1.00 10.27 O ATOM 0 H GLY A 13 -24.608 0.397 -9.582 1.00 9.09 H new ATOM 0 HA2 GLY A 13 -25.605 -2.268 -9.882 1.00 9.25 H new ATOM 0 HA3 GLY A 13 -24.835 -1.263 -11.094 1.00 9.25 H new ATOM 186 N LEU A 14 -23.440 -3.377 -8.982 1.00 9.59 N ATOM 187 CA LEU A 14 -22.287 -4.252 -8.762 1.00 10.21 C ATOM 188 C LEU A 14 -20.985 -3.445 -8.751 1.00 10.23 C ATOM 189 O LEU A 14 -20.071 -3.703 -9.538 1.00 10.59 O ATOM 190 CB LEU A 14 -22.239 -5.349 -9.837 1.00 10.51 C ATOM 191 CG LEU A 14 -22.072 -6.777 -9.308 1.00 11.00 C ATOM 192 CD1 LEU A 14 -20.793 -6.904 -8.491 1.00 11.40 C ATOM 193 CD2 LEU A 14 -23.281 -7.185 -8.477 1.00 11.23 C ATOM 0 H LEU A 14 -24.200 -3.514 -8.316 1.00 9.59 H new ATOM 0 HA LEU A 14 -22.395 -4.727 -7.787 1.00 10.21 H new ATOM 0 HB2 LEU A 14 -23.157 -5.301 -10.423 1.00 10.51 H new ATOM 0 HB3 LEU A 14 -21.415 -5.132 -10.517 1.00 10.51 H new ATOM 0 HG LEU A 14 -21.999 -7.450 -10.162 1.00 11.00 H new ATOM 0 HD11 LEU A 14 -20.695 -7.926 -8.125 1.00 11.40 H new ATOM 0 HD12 LEU A 14 -19.935 -6.659 -9.117 1.00 11.40 H new ATOM 0 HD13 LEU A 14 -20.832 -6.218 -7.645 1.00 11.40 H new ATOM 0 HD21 LEU A 14 -23.144 -8.202 -8.110 1.00 11.23 H new ATOM 0 HD22 LEU A 14 -23.387 -6.505 -7.631 1.00 11.23 H new ATOM 0 HD23 LEU A 14 -24.179 -7.140 -9.094 1.00 11.23 H new ATOM 205 N VAL A 15 -20.919 -2.456 -7.859 1.00 10.05 N ATOM 206 CA VAL A 15 -19.744 -1.597 -7.748 1.00 10.27 C ATOM 207 C VAL A 15 -19.011 -1.820 -6.424 1.00 10.08 C ATOM 208 O VAL A 15 -19.372 -1.237 -5.399 1.00 9.90 O ATOM 209 CB VAL A 15 -20.128 -0.104 -7.871 1.00 10.54 C ATOM 210 CG1 VAL A 15 -18.884 0.770 -7.927 1.00 11.09 C ATOM 211 CG2 VAL A 15 -21.003 0.129 -9.096 1.00 10.43 C ATOM 0 H VAL A 15 -21.667 -2.231 -7.203 1.00 10.05 H new ATOM 0 HA VAL A 15 -19.080 -1.865 -8.570 1.00 10.27 H new ATOM 0 HB VAL A 15 -20.700 0.173 -6.985 1.00 10.54 H new ATOM 0 HG11 VAL A 15 -19.178 1.816 -8.013 1.00 11.09 H new ATOM 0 HG12 VAL A 15 -18.300 0.631 -7.017 1.00 11.09 H new ATOM 0 HG13 VAL A 15 -18.281 0.490 -8.791 1.00 11.09 H new ATOM 0 HG21 VAL A 15 -21.261 1.186 -9.163 1.00 10.43 H new ATOM 0 HG22 VAL A 15 -20.460 -0.169 -9.993 1.00 10.43 H new ATOM 0 HG23 VAL A 15 -21.915 -0.462 -9.010 1.00 10.43 H new ATOM 221 N PRO A 16 -17.958 -2.663 -6.430 1.00 10.35 N ATOM 222 CA PRO A 16 -17.166 -2.950 -5.227 1.00 10.46 C ATOM 223 C PRO A 16 -16.362 -1.734 -4.761 1.00 10.16 C ATOM 224 O PRO A 16 -16.163 -1.534 -3.562 1.00 10.02 O ATOM 225 CB PRO A 16 -16.229 -4.077 -5.672 1.00 11.00 C ATOM 226 CG PRO A 16 -16.126 -3.928 -7.151 1.00 11.27 C ATOM 227 CD PRO A 16 -17.454 -3.394 -7.610 1.00 10.83 C ATOM 0 HA PRO A 16 -17.796 -3.218 -4.379 1.00 10.46 H new ATOM 0 HB2 PRO A 16 -15.252 -3.989 -5.197 1.00 11.00 H new ATOM 0 HB3 PRO A 16 -16.629 -5.054 -5.400 1.00 11.00 H new ATOM 0 HG2 PRO A 16 -15.318 -3.247 -7.419 1.00 11.27 H new ATOM 0 HG3 PRO A 16 -15.906 -4.885 -7.625 1.00 11.27 H new ATOM 0 HD2 PRO A 16 -17.346 -2.737 -8.473 1.00 10.83 H new ATOM 0 HD3 PRO A 16 -18.130 -4.197 -7.903 1.00 10.83 H new ATOM 235 N ARG A 17 -15.910 -0.920 -5.722 1.00 10.26 N ATOM 236 CA ARG A 17 -15.135 0.284 -5.421 1.00 10.16 C ATOM 237 C ARG A 17 -15.994 1.326 -4.700 1.00 9.84 C ATOM 238 O ARG A 17 -17.211 1.167 -4.580 1.00 9.91 O ATOM 239 CB ARG A 17 -14.556 0.881 -6.710 1.00 10.50 C ATOM 240 CG ARG A 17 -15.606 1.188 -7.767 1.00 10.93 C ATOM 241 CD ARG A 17 -15.095 2.187 -8.794 1.00 11.42 C ATOM 242 NE ARG A 17 -16.012 2.326 -9.925 1.00 11.92 N ATOM 243 CZ ARG A 17 -17.143 3.038 -9.893 1.00 12.06 C ATOM 244 NH1 ARG A 17 -17.506 3.685 -8.787 1.00 11.74 N ATOM 245 NH2 ARG A 17 -17.915 3.103 -10.972 1.00 12.71 N ATOM 0 H ARG A 17 -16.070 -1.076 -6.717 1.00 10.26 H new ATOM 0 HA ARG A 17 -14.316 0.000 -4.761 1.00 10.16 H new ATOM 0 HB2 ARG A 17 -14.020 1.798 -6.466 1.00 10.50 H new ATOM 0 HB3 ARG A 17 -13.827 0.186 -7.126 1.00 10.50 H new ATOM 0 HG2 ARG A 17 -15.897 0.266 -8.270 1.00 10.93 H new ATOM 0 HG3 ARG A 17 -16.500 1.585 -7.287 1.00 10.93 H new ATOM 0 HD2 ARG A 17 -14.956 3.158 -8.318 1.00 11.42 H new ATOM 0 HD3 ARG A 17 -14.118 1.867 -9.156 1.00 11.42 H new ATOM 0 HE ARG A 17 -15.773 1.849 -10.794 1.00 11.92 H new ATOM 0 HH11 ARG A 17 -16.919 3.640 -7.954 1.00 11.74 H new ATOM 0 HH12 ARG A 17 -18.371 4.226 -8.773 1.00 11.74 H new ATOM 0 HH21 ARG A 17 -17.644 2.610 -11.823 1.00 12.71 H new ATOM 0 HH22 ARG A 17 -18.778 3.646 -10.949 1.00 12.71 H new ATOM 259 N GLY A 18 -15.349 2.390 -4.218 1.00 9.70 N ATOM 260 CA GLY A 18 -16.063 3.439 -3.508 1.00 9.61 C ATOM 261 C GLY A 18 -16.081 3.198 -2.012 1.00 9.26 C ATOM 262 O GLY A 18 -15.492 3.964 -1.247 1.00 9.36 O ATOM 0 H GLY A 18 -14.344 2.543 -4.308 1.00 9.70 H new ATOM 0 HA2 GLY A 18 -15.594 4.401 -3.715 1.00 9.61 H new ATOM 0 HA3 GLY A 18 -17.086 3.496 -3.879 1.00 9.61 H new ATOM 266 N SER A 19 -16.748 2.119 -1.598 1.00 9.05 N ATOM 267 CA SER A 19 -16.832 1.758 -0.185 1.00 8.88 C ATOM 268 C SER A 19 -15.934 0.553 0.122 1.00 8.65 C ATOM 269 O SER A 19 -16.234 -0.249 1.009 1.00 8.73 O ATOM 270 CB SER A 19 -18.284 1.450 0.197 1.00 9.34 C ATOM 271 OG SER A 19 -19.094 2.609 0.102 1.00 9.49 O ATOM 0 H SER A 19 -17.238 1.480 -2.224 1.00 9.05 H new ATOM 0 HA SER A 19 -16.484 2.604 0.408 1.00 8.88 H new ATOM 0 HB2 SER A 19 -18.678 0.673 -0.457 1.00 9.34 H new ATOM 0 HB3 SER A 19 -18.321 1.059 1.214 1.00 9.34 H new ATOM 0 HG SER A 19 -20.016 2.385 0.349 1.00 9.49 H new ATOM 277 N HIS A 20 -14.827 0.439 -0.619 1.00 8.62 N ATOM 278 CA HIS A 20 -13.879 -0.657 -0.435 1.00 8.69 C ATOM 279 C HIS A 20 -12.772 -0.254 0.546 1.00 8.33 C ATOM 280 O HIS A 20 -12.930 0.705 1.305 1.00 8.58 O ATOM 281 CB HIS A 20 -13.280 -1.059 -1.790 1.00 9.21 C ATOM 282 CG HIS A 20 -13.288 -2.536 -2.038 1.00 9.63 C ATOM 283 ND1 HIS A 20 -14.430 -3.307 -1.960 1.00 10.20 N ATOM 284 CD2 HIS A 20 -12.286 -3.385 -2.367 1.00 9.81 C ATOM 285 CE1 HIS A 20 -14.128 -4.565 -2.228 1.00 10.69 C ATOM 286 NE2 HIS A 20 -12.834 -4.639 -2.479 1.00 10.47 N ATOM 0 H HIS A 20 -14.568 1.097 -1.354 1.00 8.62 H new ATOM 0 HA HIS A 20 -14.407 -1.513 -0.015 1.00 8.69 H new ATOM 0 HB2 HIS A 20 -13.837 -0.563 -2.585 1.00 9.21 H new ATOM 0 HB3 HIS A 20 -12.254 -0.696 -1.846 1.00 9.21 H new ATOM 0 HD2 HIS A 20 -11.248 -3.124 -2.514 1.00 9.81 H new ATOM 0 HE1 HIS A 20 -14.822 -5.392 -2.240 1.00 10.69 H new ATOM 0 HE2 HIS A 20 -12.324 -5.490 -2.717 1.00 10.47 H new ATOM 295 N MET A 21 -11.655 -0.988 0.530 1.00 8.00 N ATOM 296 CA MET A 21 -10.533 -0.697 1.420 1.00 7.89 C ATOM 297 C MET A 21 -9.717 0.488 0.900 1.00 7.27 C ATOM 298 O MET A 21 -8.620 0.318 0.363 1.00 7.12 O ATOM 299 CB MET A 21 -9.638 -1.932 1.576 1.00 8.46 C ATOM 300 CG MET A 21 -9.916 -2.731 2.840 1.00 8.87 C ATOM 301 SD MET A 21 -11.450 -3.674 2.745 1.00 9.46 S ATOM 302 CE MET A 21 -12.612 -2.507 3.449 1.00 9.97 C ATOM 0 H MET A 21 -11.506 -1.785 -0.089 1.00 8.00 H new ATOM 0 HA MET A 21 -10.936 -0.432 2.397 1.00 7.89 H new ATOM 0 HB2 MET A 21 -9.773 -2.580 0.710 1.00 8.46 H new ATOM 0 HB3 MET A 21 -8.595 -1.616 1.578 1.00 8.46 H new ATOM 0 HG2 MET A 21 -9.086 -3.413 3.023 1.00 8.87 H new ATOM 0 HG3 MET A 21 -9.964 -2.052 3.691 1.00 8.87 H new ATOM 0 HE1 MET A 21 -13.259 -3.022 4.159 1.00 9.97 H new ATOM 0 HE2 MET A 21 -12.067 -1.715 3.963 1.00 9.97 H new ATOM 0 HE3 MET A 21 -13.218 -2.073 2.654 1.00 9.97 H new ATOM 312 N SER A 22 -10.265 1.692 1.067 1.00 6.98 N ATOM 313 CA SER A 22 -9.598 2.916 0.622 1.00 6.48 C ATOM 314 C SER A 22 -8.875 3.618 1.772 1.00 5.82 C ATOM 315 O SER A 22 -8.338 4.715 1.603 1.00 5.42 O ATOM 316 CB SER A 22 -10.603 3.867 -0.035 1.00 6.78 C ATOM 317 OG SER A 22 -11.237 3.255 -1.145 1.00 7.04 O ATOM 0 H SER A 22 -11.172 1.846 1.508 1.00 6.98 H new ATOM 0 HA SER A 22 -8.847 2.630 -0.115 1.00 6.48 H new ATOM 0 HB2 SER A 22 -11.354 4.168 0.695 1.00 6.78 H new ATOM 0 HB3 SER A 22 -10.092 4.774 -0.359 1.00 6.78 H new ATOM 0 HG SER A 22 -11.875 3.883 -1.545 1.00 7.04 H new ATOM 323 N ASP A 23 -8.866 2.978 2.935 1.00 5.83 N ATOM 324 CA ASP A 23 -8.211 3.530 4.121 1.00 5.39 C ATOM 325 C ASP A 23 -6.798 3.002 4.293 1.00 5.03 C ATOM 326 O ASP A 23 -5.999 3.562 5.044 1.00 4.71 O ATOM 327 CB ASP A 23 -9.024 3.221 5.369 1.00 5.71 C ATOM 328 CG ASP A 23 -10.425 3.800 5.313 1.00 6.08 C ATOM 329 OD1 ASP A 23 -10.597 4.976 5.698 1.00 6.20 O ATOM 330 OD2 ASP A 23 -11.350 3.078 4.885 1.00 6.47 O ATOM 0 H ASP A 23 -9.307 2.071 3.085 1.00 5.83 H new ATOM 0 HA ASP A 23 -8.151 4.609 3.978 1.00 5.39 H new ATOM 0 HB2 ASP A 23 -9.087 2.141 5.499 1.00 5.71 H new ATOM 0 HB3 ASP A 23 -8.506 3.617 6.242 1.00 5.71 H new ATOM 335 N GLU A 24 -6.503 1.935 3.584 1.00 5.24 N ATOM 336 CA GLU A 24 -5.177 1.315 3.629 1.00 5.03 C ATOM 337 C GLU A 24 -4.103 2.271 3.131 1.00 4.40 C ATOM 338 O GLU A 24 -2.918 2.118 3.434 1.00 4.14 O ATOM 339 CB GLU A 24 -5.154 0.016 2.822 1.00 5.55 C ATOM 340 CG GLU A 24 -5.880 -1.134 3.503 1.00 5.97 C ATOM 341 CD GLU A 24 -5.651 -2.464 2.811 1.00 6.42 C ATOM 342 OE1 GLU A 24 -4.648 -3.137 3.134 1.00 6.87 O ATOM 343 OE2 GLU A 24 -6.475 -2.834 1.949 1.00 6.60 O ATOM 0 H GLU A 24 -7.163 1.468 2.962 1.00 5.24 H new ATOM 0 HA GLU A 24 -4.960 1.077 4.670 1.00 5.03 H new ATOM 0 HB2 GLU A 24 -5.607 0.195 1.847 1.00 5.55 H new ATOM 0 HB3 GLU A 24 -4.118 -0.273 2.644 1.00 5.55 H new ATOM 0 HG2 GLU A 24 -5.547 -1.206 4.538 1.00 5.97 H new ATOM 0 HG3 GLU A 24 -6.949 -0.921 3.526 1.00 5.97 H new ATOM 350 N LYS A 25 -4.546 3.271 2.397 1.00 4.30 N ATOM 351 CA LYS A 25 -3.671 4.306 1.864 1.00 3.86 C ATOM 352 C LYS A 25 -3.553 5.449 2.870 1.00 3.66 C ATOM 353 O LYS A 25 -2.461 5.967 3.101 1.00 3.41 O ATOM 354 CB LYS A 25 -4.205 4.831 0.526 1.00 4.19 C ATOM 355 CG LYS A 25 -3.168 4.829 -0.588 1.00 3.99 C ATOM 356 CD LYS A 25 -2.425 6.156 -0.670 1.00 4.24 C ATOM 357 CE LYS A 25 -1.307 6.240 0.360 1.00 4.43 C ATOM 358 NZ LYS A 25 -0.009 6.636 -0.253 1.00 5.05 N ATOM 0 H LYS A 25 -5.528 3.393 2.150 1.00 4.30 H new ATOM 0 HA LYS A 25 -2.684 3.876 1.692 1.00 3.86 H new ATOM 0 HB2 LYS A 25 -5.056 4.222 0.220 1.00 4.19 H new ATOM 0 HB3 LYS A 25 -4.574 5.847 0.665 1.00 4.19 H new ATOM 0 HG2 LYS A 25 -2.454 4.023 -0.419 1.00 3.99 H new ATOM 0 HG3 LYS A 25 -3.658 4.627 -1.541 1.00 3.99 H new ATOM 0 HD2 LYS A 25 -2.009 6.279 -1.670 1.00 4.24 H new ATOM 0 HD3 LYS A 25 -3.126 6.976 -0.514 1.00 4.24 H new ATOM 0 HE2 LYS A 25 -1.578 6.961 1.131 1.00 4.43 H new ATOM 0 HE3 LYS A 25 -1.195 5.274 0.852 1.00 4.43 H new ATOM 0 HZ1 LYS A 25 0.454 7.350 0.345 1.00 5.05 H new ATOM 0 HZ2 LYS A 25 0.606 5.801 -0.334 1.00 5.05 H new ATOM 0 HZ3 LYS A 25 -0.179 7.034 -1.199 1.00 5.05 H new ATOM 372 N THR A 26 -4.687 5.822 3.480 1.00 3.95 N ATOM 373 CA THR A 26 -4.707 6.892 4.478 1.00 4.05 C ATOM 374 C THR A 26 -3.951 6.481 5.738 1.00 3.95 C ATOM 375 O THR A 26 -3.364 7.323 6.416 1.00 4.12 O ATOM 376 CB THR A 26 -6.136 7.319 4.820 1.00 4.46 C ATOM 377 OG1 THR A 26 -7.042 6.240 4.685 1.00 4.63 O ATOM 378 CG2 THR A 26 -6.631 8.454 3.947 1.00 4.79 C ATOM 0 H THR A 26 -5.597 5.398 3.298 1.00 3.95 H new ATOM 0 HA THR A 26 -4.201 7.752 4.040 1.00 4.05 H new ATOM 0 HB THR A 26 -6.098 7.657 5.856 1.00 4.46 H new ATOM 0 HG1 THR A 26 -6.611 5.412 4.981 1.00 4.63 H new ATOM 0 HG21 THR A 26 -7.650 8.716 4.233 1.00 4.79 H new ATOM 0 HG22 THR A 26 -5.983 9.321 4.076 1.00 4.79 H new ATOM 0 HG23 THR A 26 -6.617 8.143 2.903 1.00 4.79 H new ATOM 386 N GLN A 27 -3.932 5.179 6.027 1.00 3.91 N ATOM 387 CA GLN A 27 -3.201 4.671 7.181 1.00 4.06 C ATOM 388 C GLN A 27 -1.699 4.829 6.934 1.00 3.80 C ATOM 389 O GLN A 27 -0.924 5.056 7.863 1.00 4.12 O ATOM 390 CB GLN A 27 -3.546 3.200 7.433 1.00 4.29 C ATOM 391 CG GLN A 27 -4.911 2.993 8.072 1.00 4.90 C ATOM 392 CD GLN A 27 -5.492 1.623 7.776 1.00 5.54 C ATOM 393 OE1 GLN A 27 -6.494 1.501 7.070 1.00 6.16 O ATOM 394 NE2 GLN A 27 -4.866 0.581 8.315 1.00 5.77 N ATOM 0 H GLN A 27 -4.412 4.464 5.480 1.00 3.91 H new ATOM 0 HA GLN A 27 -3.486 5.241 8.065 1.00 4.06 H new ATOM 0 HB2 GLN A 27 -3.512 2.661 6.486 1.00 4.29 H new ATOM 0 HB3 GLN A 27 -2.783 2.762 8.077 1.00 4.29 H new ATOM 0 HG2 GLN A 27 -4.826 3.122 9.151 1.00 4.90 H new ATOM 0 HG3 GLN A 27 -5.597 3.760 7.712 1.00 4.90 H new ATOM 0 HE21 GLN A 27 -4.039 0.727 8.894 1.00 5.77 H new ATOM 0 HE22 GLN A 27 -5.213 -0.364 8.150 1.00 5.77 H new ATOM 403 N LEU A 28 -1.309 4.725 5.658 1.00 3.37 N ATOM 404 CA LEU A 28 0.086 4.871 5.246 1.00 3.16 C ATOM 405 C LEU A 28 0.477 6.333 5.044 1.00 3.52 C ATOM 406 O LEU A 28 1.653 6.659 4.877 1.00 3.69 O ATOM 407 CB LEU A 28 0.332 4.095 3.960 1.00 2.72 C ATOM 408 CG LEU A 28 1.790 3.700 3.711 1.00 2.49 C ATOM 409 CD1 LEU A 28 1.912 2.201 3.472 1.00 2.48 C ATOM 410 CD2 LEU A 28 2.363 4.482 2.537 1.00 2.90 C ATOM 0 H LEU A 28 -1.951 4.538 4.888 1.00 3.37 H new ATOM 0 HA LEU A 28 0.705 4.470 6.048 1.00 3.16 H new ATOM 0 HB2 LEU A 28 -0.276 3.190 3.977 1.00 2.72 H new ATOM 0 HB3 LEU A 28 -0.015 4.696 3.119 1.00 2.72 H new ATOM 0 HG LEU A 28 2.367 3.948 4.602 1.00 2.49 H new ATOM 0 HD11 LEU A 28 2.957 1.944 3.297 1.00 2.48 H new ATOM 0 HD12 LEU A 28 1.547 1.662 4.346 1.00 2.48 H new ATOM 0 HD13 LEU A 28 1.319 1.922 2.601 1.00 2.48 H new ATOM 0 HD21 LEU A 28 3.400 4.188 2.375 1.00 2.90 H new ATOM 0 HD22 LEU A 28 1.781 4.270 1.640 1.00 2.90 H new ATOM 0 HD23 LEU A 28 2.318 5.549 2.754 1.00 2.90 H new ATOM 422 N ILE A 29 -0.526 7.195 5.062 1.00 3.81 N ATOM 423 CA ILE A 29 -0.343 8.648 4.888 1.00 4.37 C ATOM 424 C ILE A 29 0.685 9.226 5.847 1.00 4.90 C ATOM 425 O ILE A 29 1.229 10.313 5.637 1.00 5.46 O ATOM 426 CB ILE A 29 -1.681 9.399 5.057 1.00 4.62 C ATOM 427 CG1 ILE A 29 -2.595 9.148 3.857 1.00 4.39 C ATOM 428 CG2 ILE A 29 -1.465 10.895 5.266 1.00 5.30 C ATOM 429 CD1 ILE A 29 -2.273 9.988 2.643 1.00 4.70 C ATOM 0 H ILE A 29 -1.498 6.918 5.197 1.00 3.81 H new ATOM 0 HA ILE A 29 0.029 8.788 3.873 1.00 4.37 H new ATOM 0 HB ILE A 29 -2.166 9.009 5.952 1.00 4.62 H new ATOM 0 HG12 ILE A 29 -2.533 8.095 3.582 1.00 4.39 H new ATOM 0 HG13 ILE A 29 -3.626 9.340 4.154 1.00 4.39 H new ATOM 0 HG21 ILE A 29 -2.430 11.389 5.381 1.00 5.30 H new ATOM 0 HG22 ILE A 29 -0.866 11.054 6.163 1.00 5.30 H new ATOM 0 HG23 ILE A 29 -0.944 11.311 4.404 1.00 5.30 H new ATOM 0 HD11 ILE A 29 -2.968 9.747 1.839 1.00 4.70 H new ATOM 0 HD12 ILE A 29 -2.364 11.044 2.897 1.00 4.70 H new ATOM 0 HD13 ILE A 29 -1.254 9.780 2.316 1.00 4.70 H new ATOM 441 N GLU A 30 0.944 8.471 6.876 1.00 4.85 N ATOM 442 CA GLU A 30 1.915 8.836 7.909 1.00 5.48 C ATOM 443 C GLU A 30 3.355 8.838 7.393 1.00 5.63 C ATOM 444 O GLU A 30 4.291 9.125 8.139 1.00 6.22 O ATOM 445 CB GLU A 30 1.783 7.920 9.128 1.00 5.60 C ATOM 446 CG GLU A 30 0.464 8.077 9.868 1.00 6.02 C ATOM 447 CD GLU A 30 0.223 6.968 10.874 1.00 6.39 C ATOM 448 OE1 GLU A 30 0.822 7.018 11.969 1.00 6.64 O ATOM 449 OE2 GLU A 30 -0.564 6.048 10.566 1.00 6.67 O ATOM 0 H GLU A 30 0.491 7.572 7.038 1.00 4.85 H new ATOM 0 HA GLU A 30 1.683 9.859 8.207 1.00 5.48 H new ATOM 0 HB2 GLU A 30 1.888 6.884 8.806 1.00 5.60 H new ATOM 0 HB3 GLU A 30 2.603 8.125 9.816 1.00 5.60 H new ATOM 0 HG2 GLU A 30 0.453 9.038 10.383 1.00 6.02 H new ATOM 0 HG3 GLU A 30 -0.353 8.092 9.147 1.00 6.02 H new ATOM 456 N ALA A 31 3.514 8.540 6.116 1.00 5.15 N ATOM 457 CA ALA A 31 4.825 8.528 5.476 1.00 5.27 C ATOM 458 C ALA A 31 5.338 9.951 5.300 1.00 5.84 C ATOM 459 O ALA A 31 6.513 10.227 5.533 1.00 6.33 O ATOM 460 CB ALA A 31 4.763 7.807 4.135 1.00 4.52 C ATOM 0 H ALA A 31 2.744 8.300 5.492 1.00 5.15 H new ATOM 0 HA ALA A 31 5.520 7.987 6.118 1.00 5.27 H new ATOM 0 HB1 ALA A 31 5.751 7.809 3.675 1.00 4.52 H new ATOM 0 HB2 ALA A 31 4.437 6.778 4.290 1.00 4.52 H new ATOM 0 HB3 ALA A 31 4.056 8.317 3.480 1.00 4.52 H new ATOM 466 N PHE A 32 4.441 10.861 4.913 1.00 5.86 N ATOM 467 CA PHE A 32 4.805 12.265 4.739 1.00 6.51 C ATOM 468 C PHE A 32 5.257 12.867 6.073 1.00 7.31 C ATOM 469 O PHE A 32 6.092 13.773 6.103 1.00 7.93 O ATOM 470 CB PHE A 32 3.625 13.064 4.176 1.00 6.53 C ATOM 471 CG PHE A 32 3.085 12.523 2.881 1.00 6.20 C ATOM 472 CD1 PHE A 32 3.838 12.583 1.717 1.00 6.25 C ATOM 473 CD2 PHE A 32 1.822 11.955 2.829 1.00 6.14 C ATOM 474 CE1 PHE A 32 3.339 12.086 0.528 1.00 6.17 C ATOM 475 CE2 PHE A 32 1.319 11.457 1.642 1.00 6.12 C ATOM 476 CZ PHE A 32 2.078 11.523 0.490 1.00 6.09 C ATOM 0 H PHE A 32 3.463 10.650 4.716 1.00 5.86 H new ATOM 0 HA PHE A 32 5.631 12.318 4.029 1.00 6.51 H new ATOM 0 HB2 PHE A 32 2.824 13.079 4.915 1.00 6.53 H new ATOM 0 HB3 PHE A 32 3.938 14.097 4.024 1.00 6.53 H new ATOM 0 HD1 PHE A 32 4.824 13.023 1.741 1.00 6.25 H new ATOM 0 HD2 PHE A 32 1.224 11.901 3.727 1.00 6.14 H new ATOM 0 HE1 PHE A 32 3.935 12.138 -0.371 1.00 6.17 H new ATOM 0 HE2 PHE A 32 0.333 11.017 1.615 1.00 6.12 H new ATOM 0 HZ PHE A 32 1.686 11.135 -0.439 1.00 6.09 H new ATOM 486 N TYR A 33 4.701 12.347 7.175 1.00 7.37 N ATOM 487 CA TYR A 33 5.042 12.818 8.516 1.00 8.16 C ATOM 488 C TYR A 33 5.731 11.706 9.315 1.00 8.36 C ATOM 489 O TYR A 33 5.103 11.063 10.158 1.00 8.86 O ATOM 490 CB TYR A 33 3.786 13.310 9.258 1.00 8.27 C ATOM 491 CG TYR A 33 2.596 13.574 8.357 1.00 8.07 C ATOM 492 CD1 TYR A 33 2.539 14.712 7.562 1.00 8.13 C ATOM 493 CD2 TYR A 33 1.532 12.682 8.303 1.00 8.04 C ATOM 494 CE1 TYR A 33 1.457 14.953 6.738 1.00 8.04 C ATOM 495 CE2 TYR A 33 0.447 12.916 7.481 1.00 7.95 C ATOM 496 CZ TYR A 33 0.414 14.052 6.701 1.00 7.89 C ATOM 497 OH TYR A 33 -0.666 14.288 5.881 1.00 7.90 O ATOM 0 H TYR A 33 4.010 11.597 7.160 1.00 7.37 H new ATOM 0 HA TYR A 33 5.732 13.656 8.417 1.00 8.16 H new ATOM 0 HB2 TYR A 33 3.505 12.568 10.005 1.00 8.27 H new ATOM 0 HB3 TYR A 33 4.031 14.226 9.796 1.00 8.27 H new ATOM 0 HD1 TYR A 33 3.354 15.420 7.589 1.00 8.13 H new ATOM 0 HD2 TYR A 33 1.554 11.791 8.914 1.00 8.04 H new ATOM 0 HE1 TYR A 33 1.428 15.842 6.126 1.00 8.04 H new ATOM 0 HE2 TYR A 33 -0.372 12.212 7.450 1.00 7.95 H new ATOM 0 HH TYR A 33 -1.312 13.557 5.972 1.00 7.90 H new ATOM 507 N ASN A 34 7.028 11.508 9.023 1.00 8.03 N ATOM 508 CA ASN A 34 7.889 10.492 9.673 1.00 8.24 C ATOM 509 C ASN A 34 8.602 9.606 8.632 1.00 7.87 C ATOM 510 O ASN A 34 9.087 8.520 8.951 1.00 7.66 O ATOM 511 CB ASN A 34 7.103 9.616 10.667 1.00 8.04 C ATOM 512 CG ASN A 34 7.980 8.618 11.402 1.00 8.46 C ATOM 513 OD1 ASN A 34 8.741 8.983 12.298 1.00 8.68 O ATOM 514 ND2 ASN A 34 7.876 7.347 11.026 1.00 8.79 N ATOM 0 H ASN A 34 7.520 12.056 8.318 1.00 8.03 H new ATOM 0 HA ASN A 34 8.644 11.041 10.236 1.00 8.24 H new ATOM 0 HB2 ASN A 34 6.606 10.258 11.394 1.00 8.04 H new ATOM 0 HB3 ASN A 34 6.322 9.078 10.130 1.00 8.04 H new ATOM 0 HD21 ASN A 34 8.440 6.632 11.485 1.00 8.79 H new ATOM 0 HD22 ASN A 34 7.232 7.087 10.278 1.00 8.79 H new ATOM 521 N PHE A 35 8.677 10.085 7.392 1.00 7.88 N ATOM 522 CA PHE A 35 9.338 9.352 6.309 1.00 7.61 C ATOM 523 C PHE A 35 9.344 10.175 5.012 1.00 7.94 C ATOM 524 O PHE A 35 9.142 9.637 3.921 1.00 7.62 O ATOM 525 CB PHE A 35 8.641 8.002 6.082 1.00 6.72 C ATOM 526 CG PHE A 35 9.348 7.106 5.100 1.00 6.41 C ATOM 527 CD1 PHE A 35 10.727 6.962 5.137 1.00 6.37 C ATOM 528 CD2 PHE A 35 8.632 6.413 4.138 1.00 6.40 C ATOM 529 CE1 PHE A 35 11.376 6.144 4.232 1.00 6.17 C ATOM 530 CE2 PHE A 35 9.276 5.593 3.232 1.00 6.21 C ATOM 531 CZ PHE A 35 10.650 5.459 3.279 1.00 6.01 C ATOM 0 H PHE A 35 8.286 10.984 7.109 1.00 7.88 H new ATOM 0 HA PHE A 35 10.373 9.171 6.600 1.00 7.61 H new ATOM 0 HB2 PHE A 35 8.557 7.483 7.037 1.00 6.72 H new ATOM 0 HB3 PHE A 35 7.626 8.183 5.728 1.00 6.72 H new ATOM 0 HD1 PHE A 35 11.300 7.495 5.881 1.00 6.37 H new ATOM 0 HD2 PHE A 35 7.558 6.515 4.096 1.00 6.40 H new ATOM 0 HE1 PHE A 35 12.450 6.041 4.270 1.00 6.17 H new ATOM 0 HE2 PHE A 35 8.706 5.057 2.488 1.00 6.21 H new ATOM 0 HZ PHE A 35 11.155 4.819 2.571 1.00 6.01 H new ATOM 541 N ASP A 36 9.577 11.483 5.139 1.00 8.68 N ATOM 542 CA ASP A 36 9.607 12.375 3.981 1.00 9.16 C ATOM 543 C ASP A 36 10.372 13.664 4.298 1.00 9.96 C ATOM 544 O ASP A 36 9.928 14.764 3.958 1.00 10.54 O ATOM 545 CB ASP A 36 8.177 12.697 3.524 1.00 9.26 C ATOM 546 CG ASP A 36 7.745 11.861 2.332 1.00 9.46 C ATOM 547 OD1 ASP A 36 8.272 12.092 1.223 1.00 9.71 O ATOM 548 OD2 ASP A 36 6.880 10.977 2.507 1.00 9.62 O ATOM 0 H ASP A 36 9.747 11.946 6.032 1.00 8.68 H new ATOM 0 HA ASP A 36 10.130 11.866 3.171 1.00 9.16 H new ATOM 0 HB2 ASP A 36 7.488 12.528 4.351 1.00 9.26 H new ATOM 0 HB3 ASP A 36 8.111 13.754 3.265 1.00 9.26 H new ATOM 553 N GLY A 37 11.529 13.518 4.947 1.00 10.13 N ATOM 554 CA GLY A 37 12.343 14.671 5.294 1.00 11.01 C ATOM 555 C GLY A 37 13.308 15.045 4.186 1.00 11.23 C ATOM 556 O GLY A 37 13.181 16.108 3.576 1.00 11.84 O ATOM 0 H GLY A 37 11.915 12.620 5.238 1.00 10.13 H new ATOM 0 HA2 GLY A 37 11.694 15.520 5.510 1.00 11.01 H new ATOM 0 HA3 GLY A 37 12.903 14.458 6.205 1.00 11.01 H new ATOM 560 N ASP A 38 14.270 14.160 3.922 1.00 10.87 N ATOM 561 CA ASP A 38 15.263 14.386 2.875 1.00 11.19 C ATOM 562 C ASP A 38 15.732 13.056 2.283 1.00 10.98 C ATOM 563 O ASP A 38 16.893 12.667 2.434 1.00 11.40 O ATOM 564 CB ASP A 38 16.453 15.178 3.429 1.00 11.92 C ATOM 565 CG ASP A 38 17.161 15.983 2.356 1.00 12.21 C ATOM 566 OD1 ASP A 38 16.760 17.143 2.122 1.00 12.49 O ATOM 567 OD2 ASP A 38 18.114 15.453 1.747 1.00 12.35 O ATOM 0 H ASP A 38 14.381 13.278 4.422 1.00 10.87 H new ATOM 0 HA ASP A 38 14.799 14.970 2.080 1.00 11.19 H new ATOM 0 HB2 ASP A 38 16.105 15.850 4.214 1.00 11.92 H new ATOM 0 HB3 ASP A 38 17.161 14.490 3.890 1.00 11.92 H new ATOM 572 N TYR A 39 14.813 12.360 1.612 1.00 10.47 N ATOM 573 CA TYR A 39 15.118 11.069 0.998 1.00 10.36 C ATOM 574 C TYR A 39 14.654 11.029 -0.456 1.00 9.64 C ATOM 575 O TYR A 39 13.583 11.540 -0.791 1.00 9.61 O ATOM 576 CB TYR A 39 14.456 9.937 1.791 1.00 10.64 C ATOM 577 CG TYR A 39 15.400 8.810 2.154 1.00 11.36 C ATOM 578 CD1 TYR A 39 16.599 9.063 2.812 1.00 11.84 C ATOM 579 CD2 TYR A 39 15.090 7.492 1.842 1.00 11.77 C ATOM 580 CE1 TYR A 39 17.460 8.035 3.146 1.00 12.67 C ATOM 581 CE2 TYR A 39 15.947 6.460 2.173 1.00 12.61 C ATOM 582 CZ TYR A 39 17.130 6.736 2.825 1.00 13.04 C ATOM 583 OH TYR A 39 17.984 5.709 3.156 1.00 13.99 O ATOM 0 H TYR A 39 13.850 12.670 1.480 1.00 10.47 H new ATOM 0 HA TYR A 39 16.199 10.934 1.015 1.00 10.36 H new ATOM 0 HB2 TYR A 39 14.028 10.349 2.705 1.00 10.64 H new ATOM 0 HB3 TYR A 39 13.630 9.532 1.207 1.00 10.64 H new ATOM 0 HD1 TYR A 39 16.861 10.079 3.066 1.00 11.84 H new ATOM 0 HD2 TYR A 39 14.164 7.271 1.332 1.00 11.77 H new ATOM 0 HE1 TYR A 39 18.388 8.249 3.656 1.00 12.67 H new ATOM 0 HE2 TYR A 39 15.691 5.441 1.922 1.00 12.61 H new ATOM 0 HH TYR A 39 17.601 4.857 2.860 1.00 13.99 H new ATOM 593 N ASP A 40 15.467 10.414 -1.314 1.00 9.27 N ATOM 594 CA ASP A 40 15.147 10.297 -2.737 1.00 8.71 C ATOM 595 C ASP A 40 14.181 9.133 -2.983 1.00 8.08 C ATOM 596 O ASP A 40 13.532 8.650 -2.051 1.00 8.12 O ATOM 597 CB ASP A 40 16.434 10.110 -3.550 1.00 8.78 C ATOM 598 CG ASP A 40 16.484 11.008 -4.772 1.00 9.18 C ATOM 599 OD1 ASP A 40 16.950 12.160 -4.644 1.00 9.29 O ATOM 600 OD2 ASP A 40 16.058 10.559 -5.857 1.00 9.62 O ATOM 0 H ASP A 40 16.355 9.988 -1.048 1.00 9.27 H new ATOM 0 HA ASP A 40 14.657 11.216 -3.060 1.00 8.71 H new ATOM 0 HB2 ASP A 40 17.295 10.318 -2.915 1.00 8.78 H new ATOM 0 HB3 ASP A 40 16.514 9.069 -3.864 1.00 8.78 H new ATOM 605 N GLY A 41 14.087 8.682 -4.238 1.00 7.71 N ATOM 606 CA GLY A 41 13.199 7.580 -4.572 1.00 7.22 C ATOM 607 C GLY A 41 13.840 6.217 -4.362 1.00 6.59 C ATOM 608 O GLY A 41 13.689 5.323 -5.197 1.00 6.36 O ATOM 0 H GLY A 41 14.611 9.062 -5.026 1.00 7.71 H new ATOM 0 HA2 GLY A 41 12.298 7.649 -3.963 1.00 7.22 H new ATOM 0 HA3 GLY A 41 12.889 7.673 -5.613 1.00 7.22 H new ATOM 612 N PHE A 42 14.551 6.054 -3.242 1.00 6.47 N ATOM 613 CA PHE A 42 15.211 4.791 -2.922 1.00 5.95 C ATOM 614 C PHE A 42 15.413 4.647 -1.414 1.00 5.84 C ATOM 615 O PHE A 42 16.030 5.503 -0.777 1.00 6.44 O ATOM 616 CB PHE A 42 16.558 4.692 -3.643 1.00 6.32 C ATOM 617 CG PHE A 42 16.838 3.327 -4.207 1.00 6.46 C ATOM 618 CD1 PHE A 42 17.123 2.261 -3.367 1.00 6.42 C ATOM 619 CD2 PHE A 42 16.814 3.110 -5.575 1.00 6.96 C ATOM 620 CE1 PHE A 42 17.379 1.005 -3.883 1.00 6.76 C ATOM 621 CE2 PHE A 42 17.071 1.856 -6.096 1.00 7.34 C ATOM 622 CZ PHE A 42 17.353 0.802 -5.249 1.00 7.19 C ATOM 0 H PHE A 42 14.683 6.785 -2.542 1.00 6.47 H new ATOM 0 HA PHE A 42 14.567 3.980 -3.263 1.00 5.95 H new ATOM 0 HB2 PHE A 42 16.583 5.422 -4.452 1.00 6.32 H new ATOM 0 HB3 PHE A 42 17.354 4.959 -2.948 1.00 6.32 H new ATOM 0 HD1 PHE A 42 17.145 2.414 -2.298 1.00 6.42 H new ATOM 0 HD2 PHE A 42 16.592 3.930 -6.242 1.00 6.96 H new ATOM 0 HE1 PHE A 42 17.599 0.183 -3.219 1.00 6.76 H new ATOM 0 HE2 PHE A 42 17.051 1.700 -7.165 1.00 7.34 H new ATOM 0 HZ PHE A 42 17.553 -0.179 -5.654 1.00 7.19 H new ATOM 632 N VAL A 43 14.894 3.556 -0.853 1.00 5.20 N ATOM 633 CA VAL A 43 15.018 3.288 0.578 1.00 5.21 C ATOM 634 C VAL A 43 15.218 1.796 0.833 1.00 4.79 C ATOM 635 O VAL A 43 14.457 0.969 0.337 1.00 4.19 O ATOM 636 CB VAL A 43 13.778 3.782 1.360 1.00 5.00 C ATOM 637 CG1 VAL A 43 12.504 3.139 0.828 1.00 4.14 C ATOM 638 CG2 VAL A 43 13.939 3.515 2.853 1.00 5.27 C ATOM 0 H VAL A 43 14.382 2.841 -1.370 1.00 5.20 H new ATOM 0 HA VAL A 43 15.891 3.836 0.933 1.00 5.21 H new ATOM 0 HB VAL A 43 13.695 4.859 1.214 1.00 5.00 H new ATOM 0 HG11 VAL A 43 11.648 3.504 1.396 1.00 4.14 H new ATOM 0 HG12 VAL A 43 12.378 3.396 -0.224 1.00 4.14 H new ATOM 0 HG13 VAL A 43 12.573 2.056 0.931 1.00 4.14 H new ATOM 0 HG21 VAL A 43 13.056 3.870 3.384 1.00 5.27 H new ATOM 0 HG22 VAL A 43 14.057 2.444 3.021 1.00 5.27 H new ATOM 0 HG23 VAL A 43 14.820 4.039 3.223 1.00 5.27 H new ATOM 648 N SER A 44 16.248 1.458 1.606 1.00 5.22 N ATOM 649 CA SER A 44 16.543 0.061 1.918 1.00 5.05 C ATOM 650 C SER A 44 15.491 -0.532 2.856 1.00 4.87 C ATOM 651 O SER A 44 14.899 0.179 3.669 1.00 5.07 O ATOM 652 CB SER A 44 17.938 -0.067 2.542 1.00 5.75 C ATOM 653 OG SER A 44 17.911 0.206 3.933 1.00 6.37 O ATOM 0 H SER A 44 16.890 2.130 2.027 1.00 5.22 H new ATOM 0 HA SER A 44 16.520 -0.500 0.984 1.00 5.05 H new ATOM 0 HB2 SER A 44 18.322 -1.073 2.375 1.00 5.75 H new ATOM 0 HB3 SER A 44 18.623 0.622 2.048 1.00 5.75 H new ATOM 0 HG SER A 44 18.814 0.115 4.302 1.00 6.37 H new ATOM 659 N VAL A 45 15.277 -1.843 2.738 1.00 4.63 N ATOM 660 CA VAL A 45 14.310 -2.555 3.575 1.00 4.66 C ATOM 661 C VAL A 45 14.639 -2.376 5.054 1.00 5.42 C ATOM 662 O VAL A 45 13.749 -2.160 5.875 1.00 5.56 O ATOM 663 CB VAL A 45 14.293 -4.069 3.270 1.00 4.64 C ATOM 664 CG1 VAL A 45 13.195 -4.763 4.050 1.00 4.90 C ATOM 665 CG2 VAL A 45 14.134 -4.337 1.784 1.00 4.05 C ATOM 0 H VAL A 45 15.764 -2.437 2.066 1.00 4.63 H new ATOM 0 HA VAL A 45 13.332 -2.130 3.349 1.00 4.66 H new ATOM 0 HB VAL A 45 15.255 -4.475 3.583 1.00 4.64 H new ATOM 0 HG11 VAL A 45 13.202 -5.828 3.819 1.00 4.90 H new ATOM 0 HG12 VAL A 45 13.362 -4.622 5.118 1.00 4.90 H new ATOM 0 HG13 VAL A 45 12.229 -4.339 3.775 1.00 4.90 H new ATOM 0 HG21 VAL A 45 14.126 -5.413 1.607 1.00 4.05 H new ATOM 0 HG22 VAL A 45 13.196 -3.905 1.435 1.00 4.05 H new ATOM 0 HG23 VAL A 45 14.965 -3.886 1.242 1.00 4.05 H new ATOM 675 N GLU A 46 15.929 -2.476 5.376 1.00 5.97 N ATOM 676 CA GLU A 46 16.404 -2.334 6.751 1.00 6.77 C ATOM 677 C GLU A 46 15.890 -1.037 7.375 1.00 7.00 C ATOM 678 O GLU A 46 15.324 -1.050 8.469 1.00 7.47 O ATOM 679 CB GLU A 46 17.935 -2.373 6.792 1.00 7.27 C ATOM 680 CG GLU A 46 18.546 -3.497 5.964 1.00 7.06 C ATOM 681 CD GLU A 46 19.701 -3.025 5.100 1.00 7.65 C ATOM 682 OE1 GLU A 46 19.452 -2.620 3.946 1.00 8.18 O ATOM 683 OE2 GLU A 46 20.854 -3.062 5.579 1.00 7.73 O ATOM 0 H GLU A 46 16.668 -2.656 4.697 1.00 5.97 H new ATOM 0 HA GLU A 46 16.015 -3.170 7.333 1.00 6.77 H new ATOM 0 HB2 GLU A 46 18.323 -1.419 6.434 1.00 7.27 H new ATOM 0 HB3 GLU A 46 18.258 -2.480 7.827 1.00 7.27 H new ATOM 0 HG2 GLU A 46 18.895 -4.286 6.631 1.00 7.06 H new ATOM 0 HG3 GLU A 46 17.776 -3.934 5.328 1.00 7.06 H new ATOM 690 N GLU A 47 16.074 0.077 6.663 1.00 6.76 N ATOM 691 CA GLU A 47 15.610 1.379 7.140 1.00 7.06 C ATOM 692 C GLU A 47 14.084 1.437 7.125 1.00 6.57 C ATOM 693 O GLU A 47 13.463 1.951 8.057 1.00 6.93 O ATOM 694 CB GLU A 47 16.183 2.505 6.272 1.00 7.14 C ATOM 695 CG GLU A 47 17.547 2.996 6.734 1.00 7.85 C ATOM 696 CD GLU A 47 18.689 2.166 6.176 1.00 8.81 C ATOM 697 OE1 GLU A 47 18.986 1.099 6.753 1.00 9.34 O ATOM 698 OE2 GLU A 47 19.284 2.583 5.159 1.00 9.22 O ATOM 0 H GLU A 47 16.540 0.102 5.756 1.00 6.76 H new ATOM 0 HA GLU A 47 15.960 1.513 8.164 1.00 7.06 H new ATOM 0 HB2 GLU A 47 16.262 2.155 5.243 1.00 7.14 H new ATOM 0 HB3 GLU A 47 15.486 3.343 6.271 1.00 7.14 H new ATOM 0 HG2 GLU A 47 17.676 4.035 6.431 1.00 7.85 H new ATOM 0 HG3 GLU A 47 17.586 2.975 7.823 1.00 7.85 H new ATOM 705 N PHE A 48 13.491 0.895 6.057 1.00 5.80 N ATOM 706 CA PHE A 48 12.038 0.867 5.899 1.00 5.28 C ATOM 707 C PHE A 48 11.360 0.193 7.093 1.00 5.66 C ATOM 708 O PHE A 48 10.344 0.677 7.588 1.00 5.68 O ATOM 709 CB PHE A 48 11.665 0.128 4.608 1.00 4.44 C ATOM 710 CG PHE A 48 10.678 0.861 3.741 1.00 3.84 C ATOM 711 CD1 PHE A 48 9.716 1.691 4.297 1.00 3.93 C ATOM 712 CD2 PHE A 48 10.715 0.715 2.364 1.00 3.60 C ATOM 713 CE1 PHE A 48 8.811 2.359 3.496 1.00 3.55 C ATOM 714 CE2 PHE A 48 9.812 1.381 1.558 1.00 3.15 C ATOM 715 CZ PHE A 48 8.859 2.205 2.125 1.00 2.95 C ATOM 0 H PHE A 48 14.002 0.467 5.285 1.00 5.80 H new ATOM 0 HA PHE A 48 11.687 1.898 5.846 1.00 5.28 H new ATOM 0 HB2 PHE A 48 12.572 -0.054 4.032 1.00 4.44 H new ATOM 0 HB3 PHE A 48 11.251 -0.846 4.867 1.00 4.44 H new ATOM 0 HD1 PHE A 48 9.674 1.816 5.369 1.00 3.93 H new ATOM 0 HD2 PHE A 48 11.459 0.073 1.915 1.00 3.60 H new ATOM 0 HE1 PHE A 48 8.066 3.002 3.942 1.00 3.55 H new ATOM 0 HE2 PHE A 48 9.851 1.258 0.486 1.00 3.15 H new ATOM 0 HZ PHE A 48 8.153 2.728 1.497 1.00 2.95 H new ATOM 725 N ARG A 49 11.931 -0.927 7.546 1.00 6.05 N ATOM 726 CA ARG A 49 11.385 -1.675 8.681 1.00 6.57 C ATOM 727 C ARG A 49 11.201 -0.777 9.904 1.00 7.19 C ATOM 728 O ARG A 49 10.115 -0.727 10.484 1.00 7.32 O ATOM 729 CB ARG A 49 12.303 -2.849 9.036 1.00 7.04 C ATOM 730 CG ARG A 49 12.272 -3.980 8.021 1.00 6.74 C ATOM 731 CD ARG A 49 13.614 -4.691 7.938 1.00 6.94 C ATOM 732 NE ARG A 49 13.573 -5.842 7.037 1.00 7.30 N ATOM 733 CZ ARG A 49 14.655 -6.410 6.497 1.00 7.71 C ATOM 734 NH1 ARG A 49 15.872 -5.941 6.766 1.00 7.86 N ATOM 735 NH2 ARG A 49 14.520 -7.454 5.685 1.00 8.21 N ATOM 0 H ARG A 49 12.774 -1.336 7.142 1.00 6.05 H new ATOM 0 HA ARG A 49 10.407 -2.056 8.386 1.00 6.57 H new ATOM 0 HB2 ARG A 49 13.326 -2.484 9.128 1.00 7.04 H new ATOM 0 HB3 ARG A 49 12.016 -3.241 10.012 1.00 7.04 H new ATOM 0 HG2 ARG A 49 11.496 -4.695 8.295 1.00 6.74 H new ATOM 0 HG3 ARG A 49 12.008 -3.583 7.041 1.00 6.74 H new ATOM 0 HD2 ARG A 49 14.374 -3.990 7.595 1.00 6.94 H new ATOM 0 HD3 ARG A 49 13.911 -5.021 8.934 1.00 6.94 H new ATOM 0 HE ARG A 49 12.661 -6.236 6.806 1.00 7.30 H new ATOM 0 HH11 ARG A 49 15.984 -5.141 7.389 1.00 7.86 H new ATOM 0 HH12 ARG A 49 16.692 -6.381 6.349 1.00 7.86 H new ATOM 0 HH21 ARG A 49 13.591 -7.820 5.475 1.00 8.21 H new ATOM 0 HH22 ARG A 49 15.345 -7.889 5.272 1.00 8.21 H new ATOM 749 N GLY A 50 12.267 -0.070 10.287 1.00 7.64 N ATOM 750 CA GLY A 50 12.207 0.819 11.438 1.00 8.32 C ATOM 751 C GLY A 50 11.149 1.900 11.293 1.00 8.09 C ATOM 752 O GLY A 50 10.427 2.199 12.246 1.00 8.60 O ATOM 0 H GLY A 50 13.172 -0.098 9.818 1.00 7.64 H new ATOM 0 HA2 GLY A 50 12.001 0.233 12.334 1.00 8.32 H new ATOM 0 HA3 GLY A 50 13.181 1.287 11.581 1.00 8.32 H new ATOM 756 N ILE A 51 11.055 2.482 10.096 1.00 7.33 N ATOM 757 CA ILE A 51 10.076 3.533 9.822 1.00 7.09 C ATOM 758 C ILE A 51 8.651 2.980 9.855 1.00 6.73 C ATOM 759 O ILE A 51 7.766 3.566 10.474 1.00 6.89 O ATOM 760 CB ILE A 51 10.324 4.196 8.448 1.00 6.52 C ATOM 761 CG1 ILE A 51 11.770 4.690 8.341 1.00 6.94 C ATOM 762 CG2 ILE A 51 9.351 5.347 8.226 1.00 6.46 C ATOM 763 CD1 ILE A 51 12.350 4.568 6.948 1.00 6.43 C ATOM 0 H ILE A 51 11.646 2.242 9.300 1.00 7.33 H new ATOM 0 HA ILE A 51 10.193 4.283 10.604 1.00 7.09 H new ATOM 0 HB ILE A 51 10.157 3.448 7.672 1.00 6.52 H new ATOM 0 HG12 ILE A 51 11.813 5.733 8.653 1.00 6.94 H new ATOM 0 HG13 ILE A 51 12.391 4.124 9.035 1.00 6.94 H new ATOM 0 HG21 ILE A 51 9.541 5.801 7.254 1.00 6.46 H new ATOM 0 HG22 ILE A 51 8.329 4.970 8.257 1.00 6.46 H new ATOM 0 HG23 ILE A 51 9.486 6.094 9.008 1.00 6.46 H new ATOM 0 HD11 ILE A 51 13.376 4.936 6.947 1.00 6.43 H new ATOM 0 HD12 ILE A 51 12.340 3.523 6.640 1.00 6.43 H new ATOM 0 HD13 ILE A 51 11.753 5.157 6.252 1.00 6.43 H new ATOM 775 N ILE A 52 8.445 1.850 9.180 1.00 6.32 N ATOM 776 CA ILE A 52 7.133 1.201 9.115 1.00 6.09 C ATOM 777 C ILE A 52 6.651 0.744 10.498 1.00 6.87 C ATOM 778 O ILE A 52 5.456 0.804 10.792 1.00 6.94 O ATOM 779 CB ILE A 52 7.163 -0.021 8.168 1.00 5.55 C ATOM 780 CG1 ILE A 52 7.523 0.410 6.739 1.00 4.77 C ATOM 781 CG2 ILE A 52 5.829 -0.757 8.193 1.00 5.63 C ATOM 782 CD1 ILE A 52 6.338 0.869 5.916 1.00 4.27 C ATOM 0 H ILE A 52 9.177 1.360 8.665 1.00 6.32 H new ATOM 0 HA ILE A 52 6.438 1.947 8.729 1.00 6.09 H new ATOM 0 HB ILE A 52 7.933 -0.707 8.520 1.00 5.55 H new ATOM 0 HG12 ILE A 52 8.253 1.218 6.787 1.00 4.77 H new ATOM 0 HG13 ILE A 52 8.004 -0.425 6.229 1.00 4.77 H new ATOM 0 HG21 ILE A 52 5.873 -1.613 7.520 1.00 5.63 H new ATOM 0 HG22 ILE A 52 5.623 -1.103 9.206 1.00 5.63 H new ATOM 0 HG23 ILE A 52 5.035 -0.083 7.871 1.00 5.63 H new ATOM 0 HD11 ILE A 52 6.676 1.156 4.920 1.00 4.27 H new ATOM 0 HD12 ILE A 52 5.616 0.057 5.834 1.00 4.27 H new ATOM 0 HD13 ILE A 52 5.868 1.725 6.401 1.00 4.27 H new ATOM 794 N ARG A 53 7.585 0.275 11.330 1.00 7.49 N ATOM 795 CA ARG A 53 7.265 -0.213 12.676 1.00 8.29 C ATOM 796 C ARG A 53 6.358 0.752 13.442 1.00 8.59 C ATOM 797 O ARG A 53 5.261 0.379 13.859 1.00 8.80 O ATOM 798 CB ARG A 53 8.552 -0.453 13.470 1.00 8.93 C ATOM 799 CG ARG A 53 9.103 -1.862 13.326 1.00 9.37 C ATOM 800 CD ARG A 53 10.612 -1.891 13.505 1.00 9.72 C ATOM 801 NE ARG A 53 11.085 -3.193 13.977 1.00 10.00 N ATOM 802 CZ ARG A 53 11.219 -4.270 13.197 1.00 10.32 C ATOM 803 NH1 ARG A 53 10.906 -4.214 11.904 1.00 10.39 N ATOM 804 NH2 ARG A 53 11.666 -5.409 13.715 1.00 10.77 N ATOM 0 H ARG A 53 8.576 0.223 11.093 1.00 7.49 H new ATOM 0 HA ARG A 53 6.723 -1.151 12.558 1.00 8.29 H new ATOM 0 HB2 ARG A 53 9.309 0.259 13.142 1.00 8.93 H new ATOM 0 HB3 ARG A 53 8.361 -0.253 14.524 1.00 8.93 H new ATOM 0 HG2 ARG A 53 8.635 -2.514 14.064 1.00 9.37 H new ATOM 0 HG3 ARG A 53 8.844 -2.256 12.343 1.00 9.37 H new ATOM 0 HD2 ARG A 53 11.094 -1.653 12.557 1.00 9.72 H new ATOM 0 HD3 ARG A 53 10.907 -1.119 14.216 1.00 9.72 H new ATOM 0 HE ARG A 53 11.328 -3.284 14.963 1.00 10.00 H new ATOM 0 HH11 ARG A 53 10.560 -3.343 11.500 1.00 10.39 H new ATOM 0 HH12 ARG A 53 11.012 -5.042 11.317 1.00 10.39 H new ATOM 0 HH21 ARG A 53 11.906 -5.460 14.705 1.00 10.77 H new ATOM 0 HH22 ARG A 53 11.769 -6.233 13.123 1.00 10.77 H new ATOM 818 N ASP A 54 6.827 1.986 13.634 1.00 8.70 N ATOM 819 CA ASP A 54 6.058 2.997 14.362 1.00 9.07 C ATOM 820 C ASP A 54 5.587 4.131 13.443 1.00 8.55 C ATOM 821 O ASP A 54 5.178 5.192 13.922 1.00 8.87 O ATOM 822 CB ASP A 54 6.901 3.570 15.506 1.00 9.81 C ATOM 823 CG ASP A 54 7.370 2.499 16.474 1.00 10.49 C ATOM 824 OD1 ASP A 54 6.634 2.210 17.441 1.00 10.73 O ATOM 825 OD2 ASP A 54 8.471 1.949 16.264 1.00 10.92 O ATOM 0 H ASP A 54 7.734 2.309 13.296 1.00 8.70 H new ATOM 0 HA ASP A 54 5.171 2.509 14.766 1.00 9.07 H new ATOM 0 HB2 ASP A 54 7.767 4.086 15.092 1.00 9.81 H new ATOM 0 HB3 ASP A 54 6.316 4.314 16.047 1.00 9.81 H new ATOM 830 N GLY A 55 5.649 3.908 12.128 1.00 7.80 N ATOM 831 CA GLY A 55 5.232 4.924 11.178 1.00 7.32 C ATOM 832 C GLY A 55 3.956 4.558 10.446 1.00 6.84 C ATOM 833 O GLY A 55 2.908 5.164 10.675 1.00 7.17 O ATOM 0 H GLY A 55 5.981 3.040 11.707 1.00 7.80 H new ATOM 0 HA2 GLY A 55 5.086 5.868 11.704 1.00 7.32 H new ATOM 0 HA3 GLY A 55 6.029 5.084 10.452 1.00 7.32 H new ATOM 837 N LEU A 56 4.049 3.571 9.556 1.00 6.13 N ATOM 838 CA LEU A 56 2.896 3.129 8.775 1.00 5.73 C ATOM 839 C LEU A 56 2.352 1.798 9.298 1.00 6.01 C ATOM 840 O LEU A 56 3.039 0.777 9.246 1.00 6.14 O ATOM 841 CB LEU A 56 3.272 2.994 7.295 1.00 4.88 C ATOM 842 CG LEU A 56 4.256 4.046 6.769 1.00 4.73 C ATOM 843 CD1 LEU A 56 4.702 3.703 5.355 1.00 4.81 C ATOM 844 CD2 LEU A 56 3.628 5.432 6.813 1.00 4.29 C ATOM 0 H LEU A 56 4.911 3.063 9.358 1.00 6.13 H new ATOM 0 HA LEU A 56 2.115 3.883 8.877 1.00 5.73 H new ATOM 0 HB2 LEU A 56 3.703 2.006 7.136 1.00 4.88 H new ATOM 0 HB3 LEU A 56 2.360 3.044 6.700 1.00 4.88 H new ATOM 0 HG LEU A 56 5.135 4.047 7.413 1.00 4.73 H new ATOM 0 HD11 LEU A 56 5.400 4.461 5.000 1.00 4.81 H new ATOM 0 HD12 LEU A 56 5.193 2.730 5.354 1.00 4.81 H new ATOM 0 HD13 LEU A 56 3.834 3.672 4.697 1.00 4.81 H new ATOM 0 HD21 LEU A 56 4.340 6.166 6.436 1.00 4.29 H new ATOM 0 HD22 LEU A 56 2.731 5.445 6.193 1.00 4.29 H new ATOM 0 HD23 LEU A 56 3.362 5.679 7.841 1.00 4.29 H new ATOM 856 N PRO A 57 1.102 1.795 9.805 1.00 6.22 N ATOM 857 CA PRO A 57 0.460 0.583 10.334 1.00 6.66 C ATOM 858 C PRO A 57 0.202 -0.451 9.245 1.00 6.29 C ATOM 859 O PRO A 57 -0.788 -0.374 8.514 1.00 6.12 O ATOM 860 CB PRO A 57 -0.858 1.099 10.924 1.00 7.01 C ATOM 861 CG PRO A 57 -1.128 2.371 10.198 1.00 6.48 C ATOM 862 CD PRO A 57 0.217 2.970 9.897 1.00 6.14 C ATOM 0 HA PRO A 57 1.087 0.072 11.065 1.00 6.66 H new ATOM 0 HB2 PRO A 57 -1.665 0.381 10.777 1.00 7.01 H new ATOM 0 HB3 PRO A 57 -0.772 1.267 11.998 1.00 7.01 H new ATOM 0 HG2 PRO A 57 -1.687 2.186 9.281 1.00 6.48 H new ATOM 0 HG3 PRO A 57 -1.729 3.047 10.806 1.00 6.48 H new ATOM 0 HD2 PRO A 57 0.205 3.538 8.967 1.00 6.14 H new ATOM 0 HD3 PRO A 57 0.537 3.654 10.683 1.00 6.14 H new ATOM 870 N MET A 58 1.111 -1.416 9.144 1.00 6.29 N ATOM 871 CA MET A 58 1.006 -2.474 8.150 1.00 6.08 C ATOM 872 C MET A 58 1.384 -3.824 8.753 1.00 6.73 C ATOM 873 O MET A 58 2.277 -3.911 9.599 1.00 7.04 O ATOM 874 CB MET A 58 1.913 -2.165 6.952 1.00 5.33 C ATOM 875 CG MET A 58 1.170 -2.055 5.629 1.00 4.85 C ATOM 876 SD MET A 58 2.161 -1.273 4.338 1.00 3.94 S ATOM 877 CE MET A 58 2.887 -2.705 3.540 1.00 3.98 C ATOM 0 H MET A 58 1.933 -1.485 9.744 1.00 6.29 H new ATOM 0 HA MET A 58 -0.029 -2.524 7.812 1.00 6.08 H new ATOM 0 HB2 MET A 58 2.441 -1.230 7.140 1.00 5.33 H new ATOM 0 HB3 MET A 58 2.668 -2.946 6.869 1.00 5.33 H new ATOM 0 HG2 MET A 58 0.872 -3.051 5.300 1.00 4.85 H new ATOM 0 HG3 MET A 58 0.255 -1.481 5.777 1.00 4.85 H new ATOM 0 HE1 MET A 58 3.717 -2.388 2.909 1.00 3.98 H new ATOM 0 HE2 MET A 58 3.252 -3.398 4.298 1.00 3.98 H new ATOM 0 HE3 MET A 58 2.134 -3.201 2.927 1.00 3.98 H new ATOM 887 N THR A 59 0.702 -4.873 8.304 1.00 7.03 N ATOM 888 CA THR A 59 0.965 -6.234 8.780 1.00 7.71 C ATOM 889 C THR A 59 2.095 -6.869 7.971 1.00 7.49 C ATOM 890 O THR A 59 2.325 -6.493 6.822 1.00 6.91 O ATOM 891 CB THR A 59 -0.296 -7.108 8.681 1.00 8.22 C ATOM 892 OG1 THR A 59 -1.373 -6.402 8.081 1.00 7.82 O ATOM 893 CG2 THR A 59 -0.773 -7.623 10.024 1.00 8.91 C ATOM 0 H THR A 59 -0.041 -4.810 7.608 1.00 7.03 H new ATOM 0 HA THR A 59 1.261 -6.171 9.827 1.00 7.71 H new ATOM 0 HB THR A 59 -0.001 -7.956 8.063 1.00 8.22 H new ATOM 0 HG1 THR A 59 -2.159 -6.985 8.031 1.00 7.82 H new ATOM 0 HG21 THR A 59 -1.666 -8.232 9.884 1.00 8.91 H new ATOM 0 HG22 THR A 59 0.011 -8.227 10.481 1.00 8.91 H new ATOM 0 HG23 THR A 59 -1.007 -6.780 10.674 1.00 8.91 H new ATOM 901 N GLU A 60 2.800 -7.829 8.576 1.00 7.99 N ATOM 902 CA GLU A 60 3.914 -8.516 7.904 1.00 7.89 C ATOM 903 C GLU A 60 3.541 -8.910 6.477 1.00 7.62 C ATOM 904 O GLU A 60 4.248 -8.590 5.535 1.00 7.07 O ATOM 905 CB GLU A 60 4.336 -9.768 8.684 1.00 8.68 C ATOM 906 CG GLU A 60 3.176 -10.585 9.238 1.00 9.37 C ATOM 907 CD GLU A 60 3.640 -11.731 10.115 1.00 10.18 C ATOM 908 OE1 GLU A 60 3.878 -12.833 9.577 1.00 10.53 O ATOM 909 OE2 GLU A 60 3.763 -11.527 11.341 1.00 10.60 O ATOM 0 H GLU A 60 2.622 -8.150 9.528 1.00 7.99 H new ATOM 0 HA GLU A 60 4.750 -7.817 7.869 1.00 7.89 H new ATOM 0 HB2 GLU A 60 4.933 -10.404 8.031 1.00 8.68 H new ATOM 0 HB3 GLU A 60 4.980 -9.467 9.510 1.00 8.68 H new ATOM 0 HG2 GLU A 60 2.519 -9.933 9.814 1.00 9.37 H new ATOM 0 HG3 GLU A 60 2.586 -10.980 8.411 1.00 9.37 H new ATOM 916 N ALA A 61 2.421 -9.603 6.337 1.00 8.10 N ATOM 917 CA ALA A 61 1.926 -10.051 5.037 1.00 8.08 C ATOM 918 C ALA A 61 1.868 -8.919 4.004 1.00 7.28 C ATOM 919 O ALA A 61 1.857 -9.178 2.804 1.00 7.09 O ATOM 920 CB ALA A 61 0.557 -10.674 5.206 1.00 8.72 C ATOM 0 H ALA A 61 1.826 -9.873 7.121 1.00 8.10 H new ATOM 0 HA ALA A 61 2.630 -10.790 4.655 1.00 8.08 H new ATOM 0 HB1 ALA A 61 0.187 -11.008 4.237 1.00 8.72 H new ATOM 0 HB2 ALA A 61 0.626 -11.526 5.882 1.00 8.72 H new ATOM 0 HB3 ALA A 61 -0.130 -9.936 5.621 1.00 8.72 H new ATOM 926 N GLU A 62 1.840 -7.670 4.469 1.00 6.88 N ATOM 927 CA GLU A 62 1.805 -6.520 3.570 1.00 6.12 C ATOM 928 C GLU A 62 3.220 -5.994 3.350 1.00 5.51 C ATOM 929 O GLU A 62 3.644 -5.800 2.214 1.00 5.21 O ATOM 930 CB GLU A 62 0.917 -5.393 4.120 1.00 5.87 C ATOM 931 CG GLU A 62 -0.075 -5.830 5.186 1.00 6.34 C ATOM 932 CD GLU A 62 -1.225 -6.645 4.625 1.00 6.60 C ATOM 933 OE1 GLU A 62 -2.129 -6.047 4.003 1.00 6.58 O ATOM 934 OE2 GLU A 62 -1.224 -7.880 4.810 1.00 7.10 O ATOM 0 H GLU A 62 1.841 -7.431 5.461 1.00 6.88 H new ATOM 0 HA GLU A 62 1.379 -6.852 2.623 1.00 6.12 H new ATOM 0 HB2 GLU A 62 1.557 -4.614 4.535 1.00 5.87 H new ATOM 0 HB3 GLU A 62 0.367 -4.945 3.292 1.00 5.87 H new ATOM 0 HG2 GLU A 62 0.446 -6.419 5.941 1.00 6.34 H new ATOM 0 HG3 GLU A 62 -0.473 -4.948 5.688 1.00 6.34 H new ATOM 941 N ILE A 63 3.945 -5.772 4.450 1.00 5.45 N ATOM 942 CA ILE A 63 5.323 -5.268 4.379 1.00 4.99 C ATOM 943 C ILE A 63 6.284 -6.328 3.856 1.00 5.22 C ATOM 944 O ILE A 63 7.123 -6.040 3.012 1.00 4.76 O ATOM 945 CB ILE A 63 5.865 -4.801 5.747 1.00 5.26 C ATOM 946 CG1 ILE A 63 4.772 -4.167 6.598 1.00 5.39 C ATOM 947 CG2 ILE A 63 7.020 -3.831 5.552 1.00 4.82 C ATOM 948 CD1 ILE A 63 4.400 -5.026 7.776 1.00 6.24 C ATOM 0 H ILE A 63 3.604 -5.932 5.398 1.00 5.45 H new ATOM 0 HA ILE A 63 5.272 -4.419 3.697 1.00 4.99 H new ATOM 0 HB ILE A 63 6.227 -5.680 6.280 1.00 5.26 H new ATOM 0 HG12 ILE A 63 5.109 -3.193 6.953 1.00 5.39 H new ATOM 0 HG13 ILE A 63 3.889 -3.994 5.983 1.00 5.39 H new ATOM 0 HG21 ILE A 63 7.393 -3.509 6.524 1.00 4.82 H new ATOM 0 HG22 ILE A 63 7.821 -4.325 5.001 1.00 4.82 H new ATOM 0 HG23 ILE A 63 6.675 -2.963 4.990 1.00 4.82 H new ATOM 0 HD11 ILE A 63 3.618 -4.533 8.353 1.00 6.24 H new ATOM 0 HD12 ILE A 63 4.037 -5.991 7.422 1.00 6.24 H new ATOM 0 HD13 ILE A 63 5.276 -5.177 8.407 1.00 6.24 H new ATOM 960 N THR A 64 6.160 -7.549 4.376 1.00 5.97 N ATOM 961 CA THR A 64 7.023 -8.657 3.973 1.00 6.31 C ATOM 962 C THR A 64 6.717 -9.085 2.549 1.00 6.22 C ATOM 963 O THR A 64 7.629 -9.278 1.742 1.00 6.02 O ATOM 964 CB THR A 64 6.833 -9.844 4.912 1.00 7.18 C ATOM 965 OG1 THR A 64 7.396 -9.580 6.184 1.00 7.41 O ATOM 966 CG2 THR A 64 7.438 -11.131 4.393 1.00 7.62 C ATOM 0 H THR A 64 5.466 -7.796 5.081 1.00 5.97 H new ATOM 0 HA THR A 64 8.057 -8.317 4.026 1.00 6.31 H new ATOM 0 HB THR A 64 5.754 -9.978 4.982 1.00 7.18 H new ATOM 0 HG1 THR A 64 7.260 -10.354 6.769 1.00 7.41 H new ATOM 0 HG21 THR A 64 7.264 -11.931 5.113 1.00 7.62 H new ATOM 0 HG22 THR A 64 6.976 -11.392 3.441 1.00 7.62 H new ATOM 0 HG23 THR A 64 8.510 -10.998 4.251 1.00 7.62 H new ATOM 974 N GLU A 65 5.426 -9.217 2.237 1.00 6.49 N ATOM 975 CA GLU A 65 5.019 -9.605 0.889 1.00 6.63 C ATOM 976 C GLU A 65 5.408 -8.534 -0.112 1.00 5.91 C ATOM 977 O GLU A 65 5.511 -8.785 -1.314 1.00 6.02 O ATOM 978 CB GLU A 65 3.519 -9.884 0.820 1.00 7.17 C ATOM 979 CG GLU A 65 3.095 -10.659 -0.417 1.00 7.66 C ATOM 980 CD GLU A 65 1.709 -11.262 -0.279 1.00 8.51 C ATOM 981 OE1 GLU A 65 0.719 -10.523 -0.463 1.00 8.97 O ATOM 982 OE2 GLU A 65 1.615 -12.473 0.014 1.00 8.92 O ATOM 0 H GLU A 65 4.657 -9.063 2.889 1.00 6.49 H new ATOM 0 HA GLU A 65 5.541 -10.527 0.635 1.00 6.63 H new ATOM 0 HB2 GLU A 65 3.222 -10.443 1.707 1.00 7.17 H new ATOM 0 HB3 GLU A 65 2.981 -8.936 0.846 1.00 7.17 H new ATOM 0 HG2 GLU A 65 3.115 -9.996 -1.282 1.00 7.66 H new ATOM 0 HG3 GLU A 65 3.816 -11.454 -0.609 1.00 7.66 H new ATOM 989 N PHE A 66 5.653 -7.351 0.413 1.00 5.24 N ATOM 990 CA PHE A 66 6.072 -6.217 -0.388 1.00 4.51 C ATOM 991 C PHE A 66 7.594 -6.078 -0.356 1.00 4.15 C ATOM 992 O PHE A 66 8.201 -5.636 -1.330 1.00 3.78 O ATOM 993 CB PHE A 66 5.413 -4.920 0.101 1.00 4.00 C ATOM 994 CG PHE A 66 4.008 -4.706 -0.403 1.00 4.19 C ATOM 995 CD1 PHE A 66 3.289 -5.741 -0.985 1.00 4.52 C ATOM 996 CD2 PHE A 66 3.406 -3.464 -0.286 1.00 4.42 C ATOM 997 CE1 PHE A 66 2.001 -5.539 -1.441 1.00 4.78 C ATOM 998 CE2 PHE A 66 2.117 -3.256 -0.739 1.00 4.74 C ATOM 999 CZ PHE A 66 1.414 -4.295 -1.317 1.00 4.79 C ATOM 0 H PHE A 66 5.567 -7.147 1.409 1.00 5.24 H new ATOM 0 HA PHE A 66 5.753 -6.394 -1.415 1.00 4.51 H new ATOM 0 HB2 PHE A 66 5.398 -4.923 1.191 1.00 4.00 H new ATOM 0 HB3 PHE A 66 6.029 -4.075 -0.207 1.00 4.00 H new ATOM 0 HD1 PHE A 66 3.742 -6.716 -1.082 1.00 4.52 H new ATOM 0 HD2 PHE A 66 3.951 -2.648 0.165 1.00 4.42 H new ATOM 0 HE1 PHE A 66 1.454 -6.353 -1.894 1.00 4.78 H new ATOM 0 HE2 PHE A 66 1.660 -2.282 -0.641 1.00 4.74 H new ATOM 0 HZ PHE A 66 0.407 -4.135 -1.672 1.00 4.79 H new ATOM 1009 N PHE A 67 8.205 -6.468 0.772 1.00 4.41 N ATOM 1010 CA PHE A 67 9.658 -6.395 0.937 1.00 4.24 C ATOM 1011 C PHE A 67 10.367 -7.304 -0.067 1.00 4.57 C ATOM 1012 O PHE A 67 11.436 -6.962 -0.576 1.00 4.38 O ATOM 1013 CB PHE A 67 10.051 -6.778 2.373 1.00 4.66 C ATOM 1014 CG PHE A 67 10.029 -5.626 3.352 1.00 4.42 C ATOM 1015 CD1 PHE A 67 9.820 -4.323 2.920 1.00 4.42 C ATOM 1016 CD2 PHE A 67 10.228 -5.849 4.706 1.00 4.58 C ATOM 1017 CE1 PHE A 67 9.811 -3.271 3.815 1.00 4.38 C ATOM 1018 CE2 PHE A 67 10.222 -4.798 5.605 1.00 4.63 C ATOM 1019 CZ PHE A 67 10.015 -3.508 5.159 1.00 4.42 C ATOM 0 H PHE A 67 7.711 -6.838 1.584 1.00 4.41 H new ATOM 0 HA PHE A 67 9.972 -5.368 0.748 1.00 4.24 H new ATOM 0 HB2 PHE A 67 9.373 -7.554 2.728 1.00 4.66 H new ATOM 0 HB3 PHE A 67 11.052 -7.210 2.360 1.00 4.66 H new ATOM 0 HD1 PHE A 67 9.662 -4.129 1.869 1.00 4.42 H new ATOM 0 HD2 PHE A 67 10.390 -6.855 5.063 1.00 4.58 H new ATOM 0 HE1 PHE A 67 9.644 -2.264 3.463 1.00 4.38 H new ATOM 0 HE2 PHE A 67 10.379 -4.987 6.657 1.00 4.63 H new ATOM 0 HZ PHE A 67 10.013 -2.687 5.860 1.00 4.42 H new ATOM 1029 N GLU A 68 9.758 -8.456 -0.356 1.00 5.15 N ATOM 1030 CA GLU A 68 10.324 -9.409 -1.309 1.00 5.60 C ATOM 1031 C GLU A 68 9.867 -9.090 -2.733 1.00 5.61 C ATOM 1032 O GLU A 68 10.630 -9.257 -3.687 1.00 5.82 O ATOM 1033 CB GLU A 68 9.922 -10.842 -0.945 1.00 6.39 C ATOM 1034 CG GLU A 68 10.134 -11.193 0.522 1.00 6.86 C ATOM 1035 CD GLU A 68 11.526 -10.845 1.019 1.00 7.62 C ATOM 1036 OE1 GLU A 68 12.455 -11.650 0.795 1.00 7.97 O ATOM 1037 OE2 GLU A 68 11.687 -9.769 1.633 1.00 8.06 O ATOM 0 H GLU A 68 8.873 -8.750 0.057 1.00 5.15 H new ATOM 0 HA GLU A 68 11.410 -9.323 -1.261 1.00 5.60 H new ATOM 0 HB2 GLU A 68 8.871 -10.988 -1.194 1.00 6.39 H new ATOM 0 HB3 GLU A 68 10.495 -11.536 -1.560 1.00 6.39 H new ATOM 0 HG2 GLU A 68 9.396 -10.666 1.127 1.00 6.86 H new ATOM 0 HG3 GLU A 68 9.959 -12.260 0.664 1.00 6.86 H new ATOM 1044 N ALA A 69 8.619 -8.629 -2.870 1.00 5.50 N ATOM 1045 CA ALA A 69 8.061 -8.285 -4.180 1.00 5.70 C ATOM 1046 C ALA A 69 8.637 -6.988 -4.734 1.00 5.11 C ATOM 1047 O ALA A 69 8.500 -6.686 -5.921 1.00 5.40 O ATOM 1048 CB ALA A 69 6.547 -8.200 -4.101 1.00 5.93 C ATOM 0 H ALA A 69 7.978 -8.486 -2.090 1.00 5.50 H new ATOM 0 HA ALA A 69 8.343 -9.081 -4.870 1.00 5.70 H new ATOM 0 HB1 ALA A 69 6.145 -7.944 -5.081 1.00 5.93 H new ATOM 0 HB2 ALA A 69 6.145 -9.162 -3.784 1.00 5.93 H new ATOM 0 HB3 ALA A 69 6.263 -7.433 -3.381 1.00 5.93 H new ATOM 1054 N ALA A 70 9.285 -6.242 -3.865 1.00 4.43 N ATOM 1055 CA ALA A 70 9.909 -4.972 -4.228 1.00 3.93 C ATOM 1056 C ALA A 70 11.384 -5.163 -4.576 1.00 4.07 C ATOM 1057 O ALA A 70 11.899 -4.525 -5.496 1.00 4.18 O ATOM 1058 CB ALA A 70 9.761 -3.965 -3.097 1.00 3.18 C ATOM 0 H ALA A 70 9.398 -6.493 -2.883 1.00 4.43 H new ATOM 0 HA ALA A 70 9.399 -4.588 -5.111 1.00 3.93 H new ATOM 0 HB1 ALA A 70 10.231 -3.024 -3.384 1.00 3.18 H new ATOM 0 HB2 ALA A 70 8.703 -3.796 -2.897 1.00 3.18 H new ATOM 0 HB3 ALA A 70 10.243 -4.353 -2.199 1.00 3.18 H new ATOM 1064 N ASP A 71 12.059 -6.044 -3.833 1.00 4.23 N ATOM 1065 CA ASP A 71 13.475 -6.319 -4.060 1.00 4.45 C ATOM 1066 C ASP A 71 13.672 -7.705 -4.678 1.00 5.15 C ATOM 1067 O ASP A 71 13.518 -8.721 -3.998 1.00 5.45 O ATOM 1068 CB ASP A 71 14.247 -6.218 -2.741 1.00 4.20 C ATOM 1069 CG ASP A 71 15.754 -6.108 -2.932 1.00 4.52 C ATOM 1070 OD1 ASP A 71 16.197 -5.701 -4.029 1.00 4.97 O ATOM 1071 OD2 ASP A 71 16.493 -6.427 -1.977 1.00 4.65 O ATOM 0 H ASP A 71 11.645 -6.578 -3.069 1.00 4.23 H new ATOM 0 HA ASP A 71 13.859 -5.576 -4.759 1.00 4.45 H new ATOM 0 HB2 ASP A 71 13.894 -5.348 -2.187 1.00 4.20 H new ATOM 0 HB3 ASP A 71 14.028 -7.095 -2.132 1.00 4.20 H new ATOM 1076 N PRO A 72 14.020 -7.763 -5.980 1.00 5.53 N ATOM 1077 CA PRO A 72 14.242 -9.034 -6.688 1.00 6.23 C ATOM 1078 C PRO A 72 15.396 -9.842 -6.092 1.00 6.35 C ATOM 1079 O PRO A 72 15.326 -11.069 -6.010 1.00 6.83 O ATOM 1080 CB PRO A 72 14.575 -8.601 -8.122 1.00 6.56 C ATOM 1081 CG PRO A 72 15.007 -7.179 -8.009 1.00 6.06 C ATOM 1082 CD PRO A 72 14.227 -6.601 -6.864 1.00 5.43 C ATOM 0 HA PRO A 72 13.373 -9.688 -6.620 1.00 6.23 H new ATOM 0 HB2 PRO A 72 15.365 -9.220 -8.547 1.00 6.56 H new ATOM 0 HB3 PRO A 72 13.707 -8.699 -8.775 1.00 6.56 H new ATOM 0 HG2 PRO A 72 16.079 -7.110 -7.825 1.00 6.06 H new ATOM 0 HG3 PRO A 72 14.806 -6.635 -8.932 1.00 6.06 H new ATOM 0 HD2 PRO A 72 14.778 -5.806 -6.362 1.00 5.43 H new ATOM 0 HD3 PRO A 72 13.281 -6.173 -7.196 1.00 5.43 H new ATOM 1090 N ASN A 73 16.455 -9.144 -5.677 1.00 6.02 N ATOM 1091 CA ASN A 73 17.628 -9.790 -5.087 1.00 6.22 C ATOM 1092 C ASN A 73 17.358 -10.235 -3.649 1.00 6.17 C ATOM 1093 O ASN A 73 17.915 -11.234 -3.189 1.00 6.61 O ATOM 1094 CB ASN A 73 18.828 -8.838 -5.111 1.00 6.03 C ATOM 1095 CG ASN A 73 19.188 -8.387 -6.515 1.00 6.19 C ATOM 1096 OD1 ASN A 73 19.915 -9.075 -7.232 1.00 6.68 O ATOM 1097 ND2 ASN A 73 18.679 -7.226 -6.916 1.00 6.01 N ATOM 0 H ASN A 73 16.524 -8.128 -5.739 1.00 6.02 H new ATOM 0 HA ASN A 73 17.851 -10.674 -5.684 1.00 6.22 H new ATOM 0 HB2 ASN A 73 18.606 -7.964 -4.499 1.00 6.03 H new ATOM 0 HB3 ASN A 73 19.688 -9.333 -4.661 1.00 6.03 H new ATOM 0 HD21 ASN A 73 18.887 -6.874 -7.850 1.00 6.01 H new ATOM 0 HD22 ASN A 73 18.081 -6.688 -6.289 1.00 6.01 H new ATOM 1104 N ASN A 74 16.522 -9.470 -2.938 1.00 5.73 N ATOM 1105 CA ASN A 74 16.189 -9.753 -1.542 1.00 5.78 C ATOM 1106 C ASN A 74 17.397 -9.496 -0.645 1.00 5.82 C ATOM 1107 O ASN A 74 17.507 -10.054 0.450 1.00 6.27 O ATOM 1108 CB ASN A 74 15.693 -11.192 -1.365 1.00 6.43 C ATOM 1109 CG ASN A 74 14.550 -11.535 -2.304 1.00 6.67 C ATOM 1110 OD1 ASN A 74 14.726 -12.281 -3.266 1.00 6.71 O ATOM 1111 ND2 ASN A 74 13.369 -10.989 -2.029 1.00 7.08 N ATOM 0 H ASN A 74 16.060 -8.642 -3.314 1.00 5.73 H new ATOM 0 HA ASN A 74 15.381 -9.082 -1.250 1.00 5.78 H new ATOM 0 HB2 ASN A 74 16.520 -11.881 -1.538 1.00 6.43 H new ATOM 0 HB3 ASN A 74 15.368 -11.336 -0.335 1.00 6.43 H new ATOM 0 HD21 ASN A 74 12.566 -11.184 -2.626 1.00 7.08 H new ATOM 0 HD22 ASN A 74 13.267 -10.376 -1.221 1.00 7.08 H new ATOM 1118 N THR A 75 18.297 -8.632 -1.119 1.00 5.52 N ATOM 1119 CA THR A 75 19.496 -8.274 -0.374 1.00 5.72 C ATOM 1120 C THR A 75 19.145 -7.454 0.873 1.00 5.57 C ATOM 1121 O THR A 75 19.964 -7.316 1.784 1.00 5.72 O ATOM 1122 CB THR A 75 20.459 -7.487 -1.274 1.00 5.70 C ATOM 1123 OG1 THR A 75 21.537 -6.954 -0.523 1.00 5.71 O ATOM 1124 CG2 THR A 75 19.801 -6.337 -2.012 1.00 5.49 C ATOM 0 H THR A 75 18.213 -8.167 -2.023 1.00 5.52 H new ATOM 0 HA THR A 75 19.983 -9.193 -0.048 1.00 5.72 H new ATOM 0 HB THR A 75 20.810 -8.212 -2.008 1.00 5.70 H new ATOM 0 HG1 THR A 75 21.349 -7.052 0.434 1.00 5.71 H new ATOM 0 HG21 THR A 75 20.543 -5.828 -2.627 1.00 5.49 H new ATOM 0 HG22 THR A 75 19.004 -6.722 -2.648 1.00 5.49 H new ATOM 0 HG23 THR A 75 19.383 -5.634 -1.292 1.00 5.49 H new ATOM 1132 N GLY A 76 17.925 -6.913 0.900 1.00 5.43 N ATOM 1133 CA GLY A 76 17.478 -6.113 2.022 1.00 5.36 C ATOM 1134 C GLY A 76 17.299 -4.649 1.662 1.00 4.96 C ATOM 1135 O GLY A 76 17.232 -3.797 2.547 1.00 5.15 O ATOM 0 H GLY A 76 17.236 -7.019 0.155 1.00 5.43 H new ATOM 0 HA2 GLY A 76 16.533 -6.510 2.393 1.00 5.36 H new ATOM 0 HA3 GLY A 76 18.200 -6.198 2.834 1.00 5.36 H new ATOM 1139 N PHE A 77 17.207 -4.359 0.361 1.00 4.57 N ATOM 1140 CA PHE A 77 17.013 -2.993 -0.112 1.00 4.34 C ATOM 1141 C PHE A 77 15.671 -2.875 -0.830 1.00 3.81 C ATOM 1142 O PHE A 77 15.059 -3.885 -1.173 1.00 3.84 O ATOM 1143 CB PHE A 77 18.156 -2.579 -1.042 1.00 4.75 C ATOM 1144 CG PHE A 77 19.337 -2.002 -0.313 1.00 5.12 C ATOM 1145 CD1 PHE A 77 20.177 -2.818 0.429 1.00 5.48 C ATOM 1146 CD2 PHE A 77 19.606 -0.644 -0.370 1.00 5.56 C ATOM 1147 CE1 PHE A 77 21.262 -2.289 1.101 1.00 6.14 C ATOM 1148 CE2 PHE A 77 20.690 -0.110 0.300 1.00 6.21 C ATOM 1149 CZ PHE A 77 21.519 -0.934 1.037 1.00 6.45 C ATOM 0 H PHE A 77 17.264 -5.056 -0.381 1.00 4.57 H new ATOM 0 HA PHE A 77 17.012 -2.322 0.747 1.00 4.34 H new ATOM 0 HB2 PHE A 77 18.481 -3.447 -1.616 1.00 4.75 H new ATOM 0 HB3 PHE A 77 17.785 -1.845 -1.757 1.00 4.75 H new ATOM 0 HD1 PHE A 77 19.981 -3.879 0.482 1.00 5.48 H new ATOM 0 HD2 PHE A 77 18.961 0.004 -0.945 1.00 5.56 H new ATOM 0 HE1 PHE A 77 21.909 -2.935 1.676 1.00 6.14 H new ATOM 0 HE2 PHE A 77 20.889 0.950 0.248 1.00 6.21 H new ATOM 0 HZ PHE A 77 22.367 -0.519 1.562 1.00 6.45 H new ATOM 1159 N ILE A 78 15.202 -1.647 -1.043 1.00 3.54 N ATOM 1160 CA ILE A 78 13.918 -1.437 -1.708 1.00 3.14 C ATOM 1161 C ILE A 78 13.942 -0.236 -2.640 1.00 3.41 C ATOM 1162 O ILE A 78 14.587 0.777 -2.364 1.00 3.79 O ATOM 1163 CB ILE A 78 12.776 -1.231 -0.677 1.00 2.72 C ATOM 1164 CG1 ILE A 78 12.253 -2.567 -0.175 1.00 2.74 C ATOM 1165 CG2 ILE A 78 11.618 -0.429 -1.268 1.00 2.51 C ATOM 1166 CD1 ILE A 78 11.111 -2.417 0.800 1.00 2.60 C ATOM 0 H ILE A 78 15.685 -0.792 -0.768 1.00 3.54 H new ATOM 0 HA ILE A 78 13.734 -2.338 -2.294 1.00 3.14 H new ATOM 0 HB ILE A 78 13.199 -0.669 0.156 1.00 2.72 H new ATOM 0 HG12 ILE A 78 11.924 -3.166 -1.024 1.00 2.74 H new ATOM 0 HG13 ILE A 78 13.065 -3.113 0.305 1.00 2.74 H new ATOM 0 HG21 ILE A 78 10.839 -0.306 -0.516 1.00 2.51 H new ATOM 0 HG22 ILE A 78 11.977 0.551 -1.582 1.00 2.51 H new ATOM 0 HG23 ILE A 78 11.211 -0.959 -2.129 1.00 2.51 H new ATOM 0 HD11 ILE A 78 10.778 -3.403 1.125 1.00 2.60 H new ATOM 0 HD12 ILE A 78 11.444 -1.843 1.665 1.00 2.60 H new ATOM 0 HD13 ILE A 78 10.285 -1.897 0.315 1.00 2.60 H new ATOM 1178 N ASP A 79 13.169 -0.342 -3.713 1.00 3.48 N ATOM 1179 CA ASP A 79 13.021 0.743 -4.661 1.00 3.98 C ATOM 1180 C ASP A 79 11.781 1.532 -4.262 1.00 3.84 C ATOM 1181 O ASP A 79 10.659 1.098 -4.520 1.00 3.71 O ATOM 1182 CB ASP A 79 12.885 0.206 -6.088 1.00 4.41 C ATOM 1183 CG ASP A 79 14.221 -0.189 -6.689 1.00 4.90 C ATOM 1184 OD1 ASP A 79 14.828 -1.167 -6.202 1.00 5.13 O ATOM 1185 OD2 ASP A 79 14.661 0.480 -7.648 1.00 5.35 O ATOM 0 H ASP A 79 12.633 -1.178 -3.945 1.00 3.48 H new ATOM 0 HA ASP A 79 13.903 1.384 -4.644 1.00 3.98 H new ATOM 0 HB2 ASP A 79 12.221 -0.659 -6.086 1.00 4.41 H new ATOM 0 HB3 ASP A 79 12.418 0.965 -6.716 1.00 4.41 H new ATOM 1190 N TYR A 80 11.993 2.663 -3.585 1.00 4.03 N ATOM 1191 CA TYR A 80 10.894 3.504 -3.096 1.00 4.04 C ATOM 1192 C TYR A 80 9.727 3.567 -4.086 1.00 4.13 C ATOM 1193 O TYR A 80 8.567 3.531 -3.679 1.00 3.85 O ATOM 1194 CB TYR A 80 11.400 4.917 -2.805 1.00 4.77 C ATOM 1195 CG TYR A 80 10.377 5.807 -2.133 1.00 4.91 C ATOM 1196 CD1 TYR A 80 10.238 5.824 -0.751 1.00 5.12 C ATOM 1197 CD2 TYR A 80 9.551 6.633 -2.886 1.00 5.15 C ATOM 1198 CE1 TYR A 80 9.304 6.638 -0.138 1.00 5.31 C ATOM 1199 CE2 TYR A 80 8.615 7.449 -2.281 1.00 5.37 C ATOM 1200 CZ TYR A 80 8.496 7.448 -0.907 1.00 5.33 C ATOM 1201 OH TYR A 80 7.564 8.259 -0.300 1.00 5.61 O ATOM 0 H TYR A 80 12.922 3.021 -3.361 1.00 4.03 H new ATOM 0 HA TYR A 80 10.524 3.048 -2.178 1.00 4.04 H new ATOM 0 HB2 TYR A 80 12.284 4.853 -2.171 1.00 4.77 H new ATOM 0 HB3 TYR A 80 11.712 5.381 -3.741 1.00 4.77 H new ATOM 0 HD1 TYR A 80 10.870 5.191 -0.146 1.00 5.12 H new ATOM 0 HD2 TYR A 80 9.642 6.637 -3.962 1.00 5.15 H new ATOM 0 HE1 TYR A 80 9.208 6.639 0.938 1.00 5.31 H new ATOM 0 HE2 TYR A 80 7.980 8.084 -2.881 1.00 5.37 H new ATOM 0 HH TYR A 80 7.078 8.766 -0.983 1.00 5.61 H new ATOM 1211 N LYS A 81 10.041 3.659 -5.380 1.00 4.65 N ATOM 1212 CA LYS A 81 9.011 3.722 -6.418 1.00 5.01 C ATOM 1213 C LYS A 81 8.203 2.427 -6.461 1.00 4.61 C ATOM 1214 O LYS A 81 6.973 2.463 -6.457 1.00 4.58 O ATOM 1215 CB LYS A 81 9.641 3.997 -7.786 1.00 5.74 C ATOM 1216 CG LYS A 81 10.577 5.196 -7.797 1.00 6.38 C ATOM 1217 CD LYS A 81 10.995 5.565 -9.212 1.00 6.84 C ATOM 1218 CE LYS A 81 10.728 7.033 -9.505 1.00 7.32 C ATOM 1219 NZ LYS A 81 11.961 7.859 -9.384 1.00 8.03 N ATOM 0 H LYS A 81 10.997 3.691 -5.733 1.00 4.65 H new ATOM 0 HA LYS A 81 8.336 4.542 -6.173 1.00 5.01 H new ATOM 0 HB2 LYS A 81 10.193 3.113 -8.107 1.00 5.74 H new ATOM 0 HB3 LYS A 81 8.848 4.160 -8.516 1.00 5.74 H new ATOM 0 HG2 LYS A 81 10.084 6.048 -7.329 1.00 6.38 H new ATOM 0 HG3 LYS A 81 11.462 4.973 -7.202 1.00 6.38 H new ATOM 0 HD2 LYS A 81 12.056 5.353 -9.347 1.00 6.84 H new ATOM 0 HD3 LYS A 81 10.453 4.945 -9.926 1.00 6.84 H new ATOM 0 HE2 LYS A 81 10.321 7.134 -10.511 1.00 7.32 H new ATOM 0 HE3 LYS A 81 9.971 7.408 -8.816 1.00 7.32 H new ATOM 0 HZ1 LYS A 81 11.735 8.853 -9.592 1.00 8.03 H new ATOM 0 HZ2 LYS A 81 12.336 7.784 -8.417 1.00 8.03 H new ATOM 0 HZ3 LYS A 81 12.675 7.518 -10.059 1.00 8.03 H new ATOM 1233 N ALA A 82 8.901 1.288 -6.479 1.00 4.44 N ATOM 1234 CA ALA A 82 8.242 -0.019 -6.490 1.00 4.30 C ATOM 1235 C ALA A 82 7.252 -0.123 -5.333 1.00 3.69 C ATOM 1236 O ALA A 82 6.159 -0.673 -5.481 1.00 3.83 O ATOM 1237 CB ALA A 82 9.272 -1.141 -6.401 1.00 4.24 C ATOM 0 H ALA A 82 9.920 1.245 -6.486 1.00 4.44 H new ATOM 0 HA ALA A 82 7.699 -0.121 -7.429 1.00 4.30 H new ATOM 0 HB1 ALA A 82 8.762 -2.104 -6.411 1.00 4.24 H new ATOM 0 HB2 ALA A 82 9.950 -1.081 -7.252 1.00 4.24 H new ATOM 0 HB3 ALA A 82 9.841 -1.041 -5.476 1.00 4.24 H new ATOM 1243 N PHE A 83 7.648 0.427 -4.182 1.00 3.17 N ATOM 1244 CA PHE A 83 6.811 0.423 -2.989 1.00 2.59 C ATOM 1245 C PHE A 83 5.689 1.456 -3.107 1.00 2.81 C ATOM 1246 O PHE A 83 4.552 1.194 -2.713 1.00 2.61 O ATOM 1247 CB PHE A 83 7.663 0.710 -1.751 1.00 2.14 C ATOM 1248 CG PHE A 83 7.636 -0.405 -0.748 1.00 1.74 C ATOM 1249 CD1 PHE A 83 8.153 -1.648 -1.071 1.00 2.19 C ATOM 1250 CD2 PHE A 83 7.092 -0.217 0.512 1.00 1.92 C ATOM 1251 CE1 PHE A 83 8.130 -2.681 -0.159 1.00 2.36 C ATOM 1252 CE2 PHE A 83 7.065 -1.249 1.431 1.00 2.11 C ATOM 1253 CZ PHE A 83 7.586 -2.483 1.095 1.00 2.12 C ATOM 0 H PHE A 83 8.551 0.883 -4.055 1.00 3.17 H new ATOM 0 HA PHE A 83 6.358 -0.563 -2.890 1.00 2.59 H new ATOM 0 HB2 PHE A 83 8.693 0.889 -2.059 1.00 2.14 H new ATOM 0 HB3 PHE A 83 7.309 1.626 -1.277 1.00 2.14 H new ATOM 0 HD1 PHE A 83 8.580 -1.810 -2.050 1.00 2.19 H new ATOM 0 HD2 PHE A 83 6.684 0.747 0.779 1.00 1.92 H new ATOM 0 HE1 PHE A 83 8.537 -3.645 -0.425 1.00 2.36 H new ATOM 0 HE2 PHE A 83 6.637 -1.091 2.410 1.00 2.11 H new ATOM 0 HZ PHE A 83 7.568 -3.291 1.811 1.00 2.12 H new ATOM 1263 N ALA A 84 6.020 2.628 -3.656 1.00 3.39 N ATOM 1264 CA ALA A 84 5.046 3.704 -3.835 1.00 3.81 C ATOM 1265 C ALA A 84 3.953 3.312 -4.833 1.00 4.30 C ATOM 1266 O ALA A 84 2.803 3.728 -4.696 1.00 4.52 O ATOM 1267 CB ALA A 84 5.744 4.978 -4.289 1.00 4.42 C ATOM 0 H ALA A 84 6.959 2.855 -3.985 1.00 3.39 H new ATOM 0 HA ALA A 84 4.568 3.884 -2.872 1.00 3.81 H new ATOM 0 HB1 ALA A 84 5.007 5.770 -4.418 1.00 4.42 H new ATOM 0 HB2 ALA A 84 6.474 5.280 -3.538 1.00 4.42 H new ATOM 0 HB3 ALA A 84 6.252 4.797 -5.236 1.00 4.42 H new ATOM 1273 N ALA A 85 4.322 2.507 -5.835 1.00 4.60 N ATOM 1274 CA ALA A 85 3.376 2.056 -6.860 1.00 5.26 C ATOM 1275 C ALA A 85 2.307 1.122 -6.307 1.00 5.11 C ATOM 1276 O ALA A 85 1.311 0.834 -6.971 1.00 5.69 O ATOM 1277 CB ALA A 85 4.121 1.385 -8.000 1.00 5.77 C ATOM 0 H ALA A 85 5.271 2.154 -5.958 1.00 4.60 H new ATOM 0 HA ALA A 85 2.861 2.943 -7.229 1.00 5.26 H new ATOM 0 HB1 ALA A 85 3.408 1.054 -8.755 1.00 5.77 H new ATOM 0 HB2 ALA A 85 4.819 2.094 -8.445 1.00 5.77 H new ATOM 0 HB3 ALA A 85 4.671 0.525 -7.619 1.00 5.77 H new ATOM 1283 N MET A 86 2.522 0.670 -5.090 1.00 4.41 N ATOM 1284 CA MET A 86 1.590 -0.225 -4.407 1.00 4.36 C ATOM 1285 C MET A 86 0.387 0.557 -3.885 1.00 4.35 C ATOM 1286 O MET A 86 -0.759 0.140 -4.060 1.00 4.76 O ATOM 1287 CB MET A 86 2.287 -0.947 -3.247 1.00 3.73 C ATOM 1288 CG MET A 86 3.549 -1.693 -3.656 1.00 3.86 C ATOM 1289 SD MET A 86 3.212 -3.360 -4.253 1.00 4.61 S ATOM 1290 CE MET A 86 4.757 -4.177 -3.860 1.00 4.64 C ATOM 0 H MET A 86 3.347 0.908 -4.539 1.00 4.41 H new ATOM 0 HA MET A 86 1.244 -0.969 -5.125 1.00 4.36 H new ATOM 0 HB2 MET A 86 2.541 -0.218 -2.478 1.00 3.73 H new ATOM 0 HB3 MET A 86 1.588 -1.653 -2.799 1.00 3.73 H new ATOM 0 HG2 MET A 86 4.062 -1.130 -4.435 1.00 3.86 H new ATOM 0 HG3 MET A 86 4.226 -1.747 -2.803 1.00 3.86 H new ATOM 0 HE1 MET A 86 4.594 -5.253 -3.795 1.00 4.64 H new ATOM 0 HE2 MET A 86 5.488 -3.967 -4.641 1.00 4.64 H new ATOM 0 HE3 MET A 86 5.131 -3.809 -2.904 1.00 4.64 H new ATOM 1300 N LEU A 87 0.659 1.701 -3.251 1.00 4.03 N ATOM 1301 CA LEU A 87 -0.400 2.555 -2.708 1.00 4.12 C ATOM 1302 C LEU A 87 -0.914 3.555 -3.731 1.00 4.88 C ATOM 1303 O LEU A 87 -1.917 4.237 -3.516 1.00 5.15 O ATOM 1304 CB LEU A 87 0.104 3.294 -1.478 1.00 3.63 C ATOM 1305 CG LEU A 87 0.535 2.401 -0.313 1.00 2.97 C ATOM 1306 CD1 LEU A 87 2.033 2.518 -0.078 1.00 2.81 C ATOM 1307 CD2 LEU A 87 -0.241 2.758 0.947 1.00 2.97 C ATOM 0 H LEU A 87 1.603 2.057 -3.101 1.00 4.03 H new ATOM 0 HA LEU A 87 -1.231 1.904 -2.435 1.00 4.12 H new ATOM 0 HB2 LEU A 87 0.949 3.917 -1.769 1.00 3.63 H new ATOM 0 HB3 LEU A 87 -0.681 3.965 -1.130 1.00 3.63 H new ATOM 0 HG LEU A 87 0.311 1.365 -0.568 1.00 2.97 H new ATOM 0 HD11 LEU A 87 2.322 1.876 0.754 1.00 2.81 H new ATOM 0 HD12 LEU A 87 2.567 2.210 -0.977 1.00 2.81 H new ATOM 0 HD13 LEU A 87 2.285 3.552 0.157 1.00 2.81 H new ATOM 0 HD21 LEU A 87 0.078 2.113 1.766 1.00 2.97 H new ATOM 0 HD22 LEU A 87 -0.050 3.799 1.209 1.00 2.97 H new ATOM 0 HD23 LEU A 87 -1.307 2.618 0.769 1.00 2.97 H new ATOM 1319 N TYR A 88 -0.217 3.612 -4.833 1.00 5.27 N ATOM 1320 CA TYR A 88 -0.557 4.501 -5.941 1.00 6.08 C ATOM 1321 C TYR A 88 -0.903 3.704 -7.201 1.00 6.67 C ATOM 1322 O TYR A 88 -0.812 4.223 -8.317 1.00 7.33 O ATOM 1323 CB TYR A 88 0.598 5.468 -6.226 1.00 6.26 C ATOM 1324 CG TYR A 88 0.915 6.404 -5.077 1.00 5.96 C ATOM 1325 CD1 TYR A 88 -0.098 7.057 -4.384 1.00 6.11 C ATOM 1326 CD2 TYR A 88 2.229 6.637 -4.689 1.00 5.90 C ATOM 1327 CE1 TYR A 88 0.190 7.912 -3.337 1.00 6.11 C ATOM 1328 CE2 TYR A 88 2.524 7.490 -3.643 1.00 5.88 C ATOM 1329 CZ TYR A 88 1.502 8.126 -2.971 1.00 5.94 C ATOM 1330 OH TYR A 88 1.792 8.978 -1.930 1.00 6.18 O ATOM 0 H TYR A 88 0.613 3.043 -5.001 1.00 5.27 H new ATOM 0 HA TYR A 88 -1.436 5.077 -5.651 1.00 6.08 H new ATOM 0 HB2 TYR A 88 1.490 4.891 -6.468 1.00 6.26 H new ATOM 0 HB3 TYR A 88 0.353 6.061 -7.107 1.00 6.26 H new ATOM 0 HD1 TYR A 88 -1.127 6.893 -4.668 1.00 6.11 H new ATOM 0 HD2 TYR A 88 3.033 6.143 -5.214 1.00 5.90 H new ATOM 0 HE1 TYR A 88 -0.609 8.410 -2.808 1.00 6.11 H new ATOM 0 HE2 TYR A 88 3.551 7.658 -3.353 1.00 5.88 H new ATOM 0 HH TYR A 88 2.763 9.017 -1.800 1.00 6.18 H new ATOM 1340 N SER A 89 -1.303 2.442 -7.016 1.00 6.53 N ATOM 1341 CA SER A 89 -1.665 1.573 -8.135 1.00 7.20 C ATOM 1342 C SER A 89 -3.102 1.840 -8.597 1.00 7.91 C ATOM 1343 O SER A 89 -3.946 0.941 -8.600 1.00 8.25 O ATOM 1344 CB SER A 89 -1.498 0.101 -7.736 1.00 7.11 C ATOM 1345 OG SER A 89 -0.870 -0.639 -8.769 1.00 7.09 O ATOM 0 H SER A 89 -1.384 2.001 -6.100 1.00 6.53 H new ATOM 0 HA SER A 89 -0.997 1.793 -8.968 1.00 7.20 H new ATOM 0 HB2 SER A 89 -0.905 0.033 -6.824 1.00 7.11 H new ATOM 0 HB3 SER A 89 -2.474 -0.332 -7.515 1.00 7.11 H new ATOM 0 HG SER A 89 -0.773 -1.573 -8.490 1.00 7.09 H new ATOM 1351 N VAL A 90 -3.368 3.085 -8.993 1.00 8.25 N ATOM 1352 CA VAL A 90 -4.694 3.480 -9.465 1.00 9.00 C ATOM 1353 C VAL A 90 -4.599 4.220 -10.804 1.00 9.55 C ATOM 1354 O VAL A 90 -5.454 5.045 -11.133 1.00 10.05 O ATOM 1355 CB VAL A 90 -5.420 4.378 -8.434 1.00 9.09 C ATOM 1356 CG1 VAL A 90 -6.927 4.327 -8.645 1.00 9.20 C ATOM 1357 CG2 VAL A 90 -5.063 3.971 -7.009 1.00 9.16 C ATOM 0 H VAL A 90 -2.680 3.838 -8.996 1.00 8.25 H new ATOM 0 HA VAL A 90 -5.271 2.565 -9.598 1.00 9.00 H new ATOM 0 HB VAL A 90 -5.086 5.404 -8.586 1.00 9.09 H new ATOM 0 HG11 VAL A 90 -7.419 4.965 -7.911 1.00 9.20 H new ATOM 0 HG12 VAL A 90 -7.166 4.678 -9.649 1.00 9.20 H new ATOM 0 HG13 VAL A 90 -7.276 3.301 -8.527 1.00 9.20 H new ATOM 0 HG21 VAL A 90 -5.586 4.617 -6.304 1.00 9.16 H new ATOM 0 HG22 VAL A 90 -5.360 2.936 -6.841 1.00 9.16 H new ATOM 0 HG23 VAL A 90 -3.987 4.069 -6.861 1.00 9.16 H new ATOM 1367 N ASP A 91 -3.550 3.917 -11.573 1.00 9.59 N ATOM 1368 CA ASP A 91 -3.336 4.547 -12.872 1.00 10.31 C ATOM 1369 C ASP A 91 -2.795 3.531 -13.874 1.00 10.59 C ATOM 1370 O ASP A 91 -1.590 3.274 -13.925 1.00 10.71 O ATOM 1371 CB ASP A 91 -2.365 5.729 -12.742 1.00 10.73 C ATOM 1372 CG ASP A 91 -2.744 6.680 -11.621 1.00 11.11 C ATOM 1373 OD1 ASP A 91 -3.570 7.586 -11.864 1.00 11.61 O ATOM 1374 OD2 ASP A 91 -2.216 6.519 -10.500 1.00 11.09 O ATOM 0 H ASP A 91 -2.835 3.237 -11.315 1.00 9.59 H new ATOM 0 HA ASP A 91 -4.294 4.920 -13.235 1.00 10.31 H new ATOM 0 HB2 ASP A 91 -1.359 5.349 -12.566 1.00 10.73 H new ATOM 0 HB3 ASP A 91 -2.338 6.277 -13.684 1.00 10.73 H new ATOM 1379 N GLU A 92 -3.696 2.948 -14.663 1.00 10.89 N ATOM 1380 CA GLU A 92 -3.314 1.950 -15.659 1.00 11.36 C ATOM 1381 C GLU A 92 -2.945 2.613 -16.984 1.00 11.99 C ATOM 1382 O GLU A 92 -3.642 3.518 -17.448 1.00 12.45 O ATOM 1383 CB GLU A 92 -4.449 0.941 -15.875 1.00 11.34 C ATOM 1384 CG GLU A 92 -5.058 0.407 -14.583 1.00 11.63 C ATOM 1385 CD GLU A 92 -4.014 0.031 -13.545 1.00 11.85 C ATOM 1386 OE1 GLU A 92 -3.302 -0.974 -13.754 1.00 11.99 O ATOM 1387 OE2 GLU A 92 -3.908 0.744 -12.523 1.00 12.08 O ATOM 0 H GLU A 92 -4.695 3.150 -14.631 1.00 10.89 H new ATOM 0 HA GLU A 92 -2.439 1.421 -15.283 1.00 11.36 H new ATOM 0 HB2 GLU A 92 -5.233 1.413 -16.466 1.00 11.34 H new ATOM 0 HB3 GLU A 92 -4.070 0.103 -16.460 1.00 11.34 H new ATOM 0 HG2 GLU A 92 -5.724 1.161 -14.163 1.00 11.63 H new ATOM 0 HG3 GLU A 92 -5.668 -0.467 -14.810 1.00 11.63 H new ATOM 1394 N SER A 93 -1.842 2.150 -17.584 1.00 12.19 N ATOM 1395 CA SER A 93 -1.352 2.681 -18.861 1.00 12.96 C ATOM 1396 C SER A 93 -0.753 4.079 -18.688 1.00 13.26 C ATOM 1397 O SER A 93 0.487 4.200 -18.770 1.00 13.48 O ATOM 1398 CB SER A 93 -2.470 2.706 -19.913 1.00 13.45 C ATOM 1399 OG SER A 93 -3.117 1.447 -20.006 1.00 13.87 O ATOM 1400 OXT SER A 93 -1.524 5.040 -18.472 1.00 13.44 O ATOM 0 H SER A 93 -1.267 1.400 -17.200 1.00 12.19 H new ATOM 0 HA SER A 93 -0.564 2.014 -19.211 1.00 12.96 H new ATOM 0 HB2 SER A 93 -3.199 3.474 -19.654 1.00 13.45 H new ATOM 0 HB3 SER A 93 -2.053 2.976 -20.883 1.00 13.45 H new ATOM 0 HG SER A 93 -3.825 1.492 -20.682 1.00 13.87 H new TER 1406 SER A 93