USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=19 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 1.01 (180deg=-0.543) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0582 X(o=-0.058,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.822 K(o=-0.82,f=-2.4!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) 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 135:sc= -0.964 USER MOD Single : A 20 HIS : no HD1:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 76:sc= -0.203 USER MOD Single : A 27 GLN : amide:sc= -0.0785 K(o=-0.079,f=-1.8!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.3!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -1.91 USER MOD Single : A 58 MET CE :methyl 171:sc= -4.14! (180deg=-4.43!) USER MOD Single : A 59 THR OG1 : rot 139:sc= -1.04 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= -0.87 X(o=-0.87,f=-0.52) USER MOD Single : A 75 THR OG1 : rot 3:sc= 0.984 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 180:sc= -0.0712 (180deg=-0.0712) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -88:sc= 0.4 USER MOD Single : A 93 SER OG : rot -11:sc= 0.319 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.735 -11.833 -8.245 1.00 0.00 N ATOM 2 CA MET A 1 -20.492 -13.173 -7.648 1.00 0.00 C ATOM 3 C MET A 1 -20.913 -13.207 -6.183 1.00 0.00 C ATOM 4 O MET A 1 -20.265 -13.846 -5.354 1.00 0.00 O ATOM 5 CB MET A 1 -19.002 -13.499 -7.776 1.00 0.00 C ATOM 6 CG MET A 1 -18.092 -12.396 -7.264 1.00 0.00 C ATOM 7 SD MET A 1 -17.649 -11.209 -8.547 1.00 0.00 S ATOM 8 CE MET A 1 -15.896 -11.528 -8.715 1.00 0.00 C ATOM 0 H1 MET A 1 -21.495 -11.900 -8.952 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.015 -11.166 -7.498 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.865 -11.494 -8.703 1.00 0.00 H new ATOM 0 HA MET A 1 -21.088 -13.916 -8.179 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.791 -14.417 -7.227 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.770 -13.693 -8.823 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.587 -11.873 -6.446 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.184 -12.840 -6.856 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.477 -10.868 -9.475 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.400 -11.344 -7.762 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.742 -12.566 -9.010 1.00 0.00 H new ATOM 20 N GLY A 2 -22.004 -12.516 -5.871 1.00 0.00 N ATOM 21 CA GLY A 2 -22.494 -12.480 -4.505 1.00 0.00 C ATOM 22 C GLY A 2 -23.745 -13.317 -4.315 1.00 0.00 C ATOM 23 O GLY A 2 -23.803 -14.468 -4.748 1.00 0.00 O ATOM 0 H GLY A 2 -22.558 -11.980 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -21.715 -12.839 -3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -22.705 -11.448 -4.225 1.00 0.00 H new ATOM 27 N SER A 3 -24.749 -12.737 -3.666 1.00 0.00 N ATOM 28 CA SER A 3 -26.006 -13.435 -3.420 1.00 0.00 C ATOM 29 C SER A 3 -26.985 -13.215 -4.568 1.00 0.00 C ATOM 30 O SER A 3 -27.243 -14.121 -5.359 1.00 0.00 O ATOM 31 CB SER A 3 -26.627 -12.962 -2.106 1.00 0.00 C ATOM 32 OG SER A 3 -27.896 -13.557 -1.897 1.00 0.00 O ATOM 0 H SER A 3 -24.717 -11.785 -3.301 1.00 0.00 H new ATOM 0 HA SER A 3 -25.792 -14.502 -3.349 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.964 -13.211 -1.277 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.729 -11.877 -2.118 1.00 0.00 H new ATOM 0 HG SER A 3 -28.271 -13.239 -1.049 1.00 0.00 H new ATOM 38 N SER A 4 -27.526 -12.004 -4.653 1.00 0.00 N ATOM 39 CA SER A 4 -28.477 -11.664 -5.704 1.00 0.00 C ATOM 40 C SER A 4 -29.715 -12.554 -5.628 1.00 0.00 C ATOM 41 O SER A 4 -30.272 -12.950 -6.652 1.00 0.00 O ATOM 42 CB SER A 4 -27.820 -11.801 -7.079 1.00 0.00 C ATOM 43 OG SER A 4 -28.259 -10.782 -7.960 1.00 0.00 O ATOM 0 H SER A 4 -27.322 -11.242 -4.006 1.00 0.00 H new ATOM 0 HA SER A 4 -28.786 -10.629 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 4 -26.736 -11.752 -6.974 1.00 0.00 H new ATOM 0 HB3 SER A 4 -28.056 -12.778 -7.502 1.00 0.00 H new ATOM 0 HG SER A 4 -27.823 -10.892 -8.831 1.00 0.00 H new ATOM 49 N HIS A 5 -30.139 -12.863 -4.407 1.00 0.00 N ATOM 50 CA HIS A 5 -31.310 -13.706 -4.197 1.00 0.00 C ATOM 51 C HIS A 5 -31.103 -15.087 -4.808 1.00 0.00 C ATOM 52 O HIS A 5 -31.590 -15.371 -5.903 1.00 0.00 O ATOM 53 CB HIS A 5 -32.553 -13.049 -4.800 1.00 0.00 C ATOM 54 CG HIS A 5 -32.929 -11.759 -4.138 1.00 0.00 C ATOM 55 ND1 HIS A 5 -33.483 -11.694 -2.877 1.00 0.00 N ATOM 56 CD2 HIS A 5 -32.826 -10.480 -4.568 1.00 0.00 C ATOM 57 CE1 HIS A 5 -33.706 -10.430 -2.561 1.00 0.00 C ATOM 58 NE2 HIS A 5 -33.316 -9.674 -3.570 1.00 0.00 N ATOM 0 H HIS A 5 -29.690 -12.543 -3.549 1.00 0.00 H new ATOM 0 HA HIS A 5 -31.455 -13.822 -3.123 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -32.379 -12.867 -5.860 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -33.391 -13.742 -4.729 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -32.432 -10.154 -5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -34.134 -10.076 -1.635 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -33.370 -8.656 -3.603 1.00 0.00 H new ATOM 67 N HIS A 6 -30.380 -15.943 -4.094 1.00 0.00 N ATOM 68 CA HIS A 6 -30.108 -17.296 -4.567 1.00 0.00 C ATOM 69 C HIS A 6 -30.117 -18.289 -3.409 1.00 0.00 C ATOM 70 O HIS A 6 -30.739 -19.348 -3.489 1.00 0.00 O ATOM 71 CB HIS A 6 -28.761 -17.346 -5.288 1.00 0.00 C ATOM 72 CG HIS A 6 -28.603 -18.541 -6.177 1.00 0.00 C ATOM 73 ND1 HIS A 6 -27.417 -19.235 -6.299 1.00 0.00 N ATOM 74 CD2 HIS A 6 -29.488 -19.165 -6.989 1.00 0.00 C ATOM 75 CE1 HIS A 6 -27.582 -20.235 -7.150 1.00 0.00 C ATOM 76 NE2 HIS A 6 -28.828 -20.214 -7.581 1.00 0.00 N ATOM 0 H HIS A 6 -29.972 -15.724 -3.185 1.00 0.00 H new ATOM 0 HA HIS A 6 -30.896 -17.575 -5.267 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -28.643 -16.441 -5.884 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -27.961 -17.346 -4.547 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -30.521 -18.889 -7.143 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -26.825 -20.947 -7.442 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -29.236 -20.871 -8.246 1.00 0.00 H new ATOM 85 N HIS A 7 -29.419 -17.939 -2.332 1.00 0.00 N ATOM 86 CA HIS A 7 -29.344 -18.798 -1.157 1.00 0.00 C ATOM 87 C HIS A 7 -28.694 -18.067 0.012 1.00 0.00 C ATOM 88 O HIS A 7 -28.293 -16.911 -0.112 1.00 0.00 O ATOM 89 CB HIS A 7 -28.558 -20.071 -1.478 1.00 0.00 C ATOM 90 CG HIS A 7 -27.134 -19.814 -1.859 1.00 0.00 C ATOM 91 ND1 HIS A 7 -26.610 -18.546 -2.004 1.00 0.00 N ATOM 92 CD2 HIS A 7 -26.118 -20.670 -2.127 1.00 0.00 C ATOM 93 CE1 HIS A 7 -25.335 -18.633 -2.344 1.00 0.00 C ATOM 94 NE2 HIS A 7 -25.013 -19.910 -2.424 1.00 0.00 N ATOM 0 H HIS A 7 -28.898 -17.066 -2.250 1.00 0.00 H new ATOM 0 HA HIS A 7 -30.361 -19.069 -0.872 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -28.580 -20.730 -0.610 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -29.054 -20.599 -2.292 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -26.168 -21.749 -2.110 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -24.671 -17.801 -2.525 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -24.092 -20.274 -2.667 1.00 0.00 H new ATOM 103 N HIS A 8 -28.595 -18.749 1.149 1.00 0.00 N ATOM 104 CA HIS A 8 -27.993 -18.164 2.341 1.00 0.00 C ATOM 105 C HIS A 8 -27.397 -19.246 3.237 1.00 0.00 C ATOM 106 O HIS A 8 -28.123 -19.991 3.894 1.00 0.00 O ATOM 107 CB HIS A 8 -29.034 -17.358 3.121 1.00 0.00 C ATOM 108 CG HIS A 8 -28.462 -16.607 4.282 1.00 0.00 C ATOM 109 ND1 HIS A 8 -27.494 -15.634 4.147 1.00 0.00 N ATOM 110 CD2 HIS A 8 -28.728 -16.689 5.607 1.00 0.00 C ATOM 111 CE1 HIS A 8 -27.188 -15.152 5.339 1.00 0.00 C ATOM 112 NE2 HIS A 8 -27.923 -15.774 6.241 1.00 0.00 N ATOM 0 H HIS A 8 -28.924 -19.707 1.269 1.00 0.00 H new ATOM 0 HA HIS A 8 -27.191 -17.498 2.022 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -29.517 -16.652 2.445 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -29.809 -18.034 3.482 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -29.440 -17.350 6.078 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -26.460 -14.380 5.540 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -27.898 -15.603 7.246 1.00 0.00 H new ATOM 121 N HIS A 9 -26.070 -19.325 3.256 1.00 0.00 N ATOM 122 CA HIS A 9 -25.376 -20.315 4.071 1.00 0.00 C ATOM 123 C HIS A 9 -24.124 -19.717 4.707 1.00 0.00 C ATOM 124 O HIS A 9 -23.138 -20.415 4.937 1.00 0.00 O ATOM 125 CB HIS A 9 -25.004 -21.533 3.222 1.00 0.00 C ATOM 126 CG HIS A 9 -25.725 -22.783 3.621 1.00 0.00 C ATOM 127 ND1 HIS A 9 -27.061 -23.001 3.356 1.00 0.00 N ATOM 128 CD2 HIS A 9 -25.288 -23.889 4.271 1.00 0.00 C ATOM 129 CE1 HIS A 9 -27.414 -24.183 3.825 1.00 0.00 C ATOM 130 NE2 HIS A 9 -26.357 -24.744 4.385 1.00 0.00 N ATOM 0 H HIS A 9 -25.455 -18.716 2.717 1.00 0.00 H new ATOM 0 HA HIS A 9 -26.048 -20.630 4.869 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -25.221 -21.316 2.176 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -23.930 -21.703 3.296 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -24.286 -24.065 4.632 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -28.400 -24.618 3.762 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -26.338 -25.662 4.829 1.00 0.00 H new ATOM 139 N HIS A 10 -24.172 -18.418 4.987 1.00 0.00 N ATOM 140 CA HIS A 10 -23.043 -17.726 5.596 1.00 0.00 C ATOM 141 C HIS A 10 -21.808 -17.810 4.704 1.00 0.00 C ATOM 142 O HIS A 10 -21.008 -18.738 4.822 1.00 0.00 O ATOM 143 CB HIS A 10 -22.734 -18.320 6.971 1.00 0.00 C ATOM 144 CG HIS A 10 -21.900 -17.427 7.836 1.00 0.00 C ATOM 145 ND1 HIS A 10 -22.432 -16.415 8.606 1.00 0.00 N ATOM 146 CD2 HIS A 10 -20.563 -17.398 8.050 1.00 0.00 C ATOM 147 CE1 HIS A 10 -21.458 -15.801 9.256 1.00 0.00 C ATOM 148 NE2 HIS A 10 -20.316 -16.379 8.937 1.00 0.00 N ATOM 0 H HIS A 10 -24.981 -17.824 4.802 1.00 0.00 H new ATOM 0 HA HIS A 10 -23.314 -16.677 5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -23.672 -18.536 7.483 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -22.217 -19.270 6.839 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -19.828 -18.054 7.606 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -21.577 -14.968 9.933 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -19.398 -16.112 9.292 1.00 0.00 H new ATOM 157 N SER A 11 -21.660 -16.835 3.813 1.00 0.00 N ATOM 158 CA SER A 11 -20.523 -16.797 2.900 1.00 0.00 C ATOM 159 C SER A 11 -19.663 -15.563 3.153 1.00 0.00 C ATOM 160 O SER A 11 -18.534 -15.670 3.632 1.00 0.00 O ATOM 161 CB SER A 11 -21.007 -16.807 1.450 1.00 0.00 C ATOM 162 OG SER A 11 -21.831 -17.932 1.195 1.00 0.00 O ATOM 0 H SER A 11 -22.314 -16.060 3.704 1.00 0.00 H new ATOM 0 HA SER A 11 -19.915 -17.684 3.079 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.561 -15.892 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 11 -20.150 -16.820 0.777 1.00 0.00 H new ATOM 0 HG SER A 11 -22.129 -17.914 0.262 1.00 0.00 H new ATOM 168 N SER A 12 -20.205 -14.395 2.828 1.00 0.00 N ATOM 169 CA SER A 12 -19.486 -13.140 3.020 1.00 0.00 C ATOM 170 C SER A 12 -20.435 -11.950 2.931 1.00 0.00 C ATOM 171 O SER A 12 -20.503 -11.272 1.905 1.00 0.00 O ATOM 172 CB SER A 12 -18.374 -13.000 1.978 1.00 0.00 C ATOM 173 OG SER A 12 -17.253 -12.319 2.516 1.00 0.00 O ATOM 0 H SER A 12 -21.139 -14.290 2.431 1.00 0.00 H new ATOM 0 HA SER A 12 -19.042 -13.154 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.071 -13.988 1.630 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.751 -12.458 1.110 1.00 0.00 H new ATOM 0 HG SER A 12 -16.556 -12.244 1.831 1.00 0.00 H new ATOM 179 N GLY A 13 -21.169 -11.701 4.011 1.00 0.00 N ATOM 180 CA GLY A 13 -22.104 -10.592 4.035 1.00 0.00 C ATOM 181 C GLY A 13 -21.687 -9.500 5.000 1.00 0.00 C ATOM 182 O GLY A 13 -22.012 -8.330 4.803 1.00 0.00 O ATOM 0 H GLY A 13 -21.132 -12.249 4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -22.191 -10.173 3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -23.092 -10.960 4.313 1.00 0.00 H new ATOM 186 N LEU A 14 -20.965 -9.884 6.048 1.00 0.00 N ATOM 187 CA LEU A 14 -20.503 -8.929 7.048 1.00 0.00 C ATOM 188 C LEU A 14 -19.608 -7.868 6.416 1.00 0.00 C ATOM 189 O LEU A 14 -20.003 -6.709 6.282 1.00 0.00 O ATOM 190 CB LEU A 14 -19.745 -9.653 8.163 1.00 0.00 C ATOM 191 CG LEU A 14 -20.621 -10.208 9.287 1.00 0.00 C ATOM 192 CD1 LEU A 14 -21.251 -9.075 10.083 1.00 0.00 C ATOM 193 CD2 LEU A 14 -21.697 -11.124 8.719 1.00 0.00 C ATOM 0 H LEU A 14 -20.688 -10.849 6.226 1.00 0.00 H new ATOM 0 HA LEU A 14 -21.377 -8.435 7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -19.181 -10.475 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.020 -8.964 8.595 1.00 0.00 H new ATOM 0 HG LEU A 14 -19.991 -10.790 9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -21.871 -9.490 10.878 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -20.466 -8.457 10.519 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -21.868 -8.466 9.423 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -22.312 -11.511 9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -22.323 -10.563 8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.227 -11.955 8.193 1.00 0.00 H new ATOM 205 N VAL A 15 -18.403 -8.272 6.029 1.00 0.00 N ATOM 206 CA VAL A 15 -17.453 -7.356 5.411 1.00 0.00 C ATOM 207 C VAL A 15 -16.737 -8.016 4.235 1.00 0.00 C ATOM 208 O VAL A 15 -16.537 -9.232 4.222 1.00 0.00 O ATOM 209 CB VAL A 15 -16.402 -6.867 6.425 1.00 0.00 C ATOM 210 CG1 VAL A 15 -17.057 -6.021 7.506 1.00 0.00 C ATOM 211 CG2 VAL A 15 -15.659 -8.045 7.035 1.00 0.00 C ATOM 0 H VAL A 15 -18.062 -9.228 6.133 1.00 0.00 H new ATOM 0 HA VAL A 15 -18.027 -6.502 5.052 1.00 0.00 H new ATOM 0 HB VAL A 15 -15.678 -6.245 5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -16.299 -5.684 8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -17.537 -5.156 7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -17.804 -6.616 8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.921 -7.679 7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.367 -8.696 7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -15.155 -8.605 6.247 1.00 0.00 H new ATOM 221 N PRO A 16 -16.341 -7.220 3.225 1.00 0.00 N ATOM 222 CA PRO A 16 -15.645 -7.734 2.042 1.00 0.00 C ATOM 223 C PRO A 16 -14.427 -8.576 2.406 1.00 0.00 C ATOM 224 O PRO A 16 -14.355 -9.759 2.073 1.00 0.00 O ATOM 225 CB PRO A 16 -15.216 -6.466 1.302 1.00 0.00 C ATOM 226 CG PRO A 16 -16.186 -5.425 1.739 1.00 0.00 C ATOM 227 CD PRO A 16 -16.540 -5.761 3.161 1.00 0.00 C ATOM 0 HA PRO A 16 -16.280 -8.394 1.451 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.194 -6.186 1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.248 -6.608 0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -15.747 -4.429 1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.073 -5.427 1.105 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.899 -5.236 3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.568 -5.485 3.396 1.00 0.00 H new ATOM 235 N ARG A 17 -13.471 -7.958 3.092 1.00 0.00 N ATOM 236 CA ARG A 17 -12.255 -8.651 3.502 1.00 0.00 C ATOM 237 C ARG A 17 -11.498 -7.845 4.554 1.00 0.00 C ATOM 238 O ARG A 17 -11.029 -8.393 5.552 1.00 0.00 O ATOM 239 CB ARG A 17 -11.355 -8.905 2.292 1.00 0.00 C ATOM 240 CG ARG A 17 -10.212 -9.865 2.575 1.00 0.00 C ATOM 241 CD ARG A 17 -9.054 -9.652 1.612 1.00 0.00 C ATOM 242 NE ARG A 17 -9.412 -10.002 0.240 1.00 0.00 N ATOM 243 CZ ARG A 17 -8.615 -9.803 -0.807 1.00 0.00 C ATOM 244 NH1 ARG A 17 -7.417 -9.255 -0.645 1.00 0.00 N ATOM 245 NH2 ARG A 17 -9.017 -10.152 -2.023 1.00 0.00 N ATOM 0 H ARG A 17 -13.515 -6.979 3.376 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.541 -9.607 3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.960 -9.303 1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.944 -7.955 1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.865 -9.727 3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.569 -10.892 2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.738 -8.609 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.203 -10.254 1.930 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.326 -10.423 0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.102 -8.984 0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.811 -9.105 -1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.937 -10.573 -2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.406 -9.999 -2.825 1.00 0.00 H new ATOM 259 N GLY A 18 -11.382 -6.542 4.322 1.00 0.00 N ATOM 260 CA GLY A 18 -10.681 -5.682 5.257 1.00 0.00 C ATOM 261 C GLY A 18 -10.773 -4.217 4.880 1.00 0.00 C ATOM 262 O GLY A 18 -11.609 -3.485 5.408 1.00 0.00 O ATOM 0 H GLY A 18 -11.761 -6.066 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.094 -5.823 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.633 -5.977 5.301 1.00 0.00 H new ATOM 266 N SER A 19 -9.911 -3.790 3.963 1.00 0.00 N ATOM 267 CA SER A 19 -9.898 -2.403 3.515 1.00 0.00 C ATOM 268 C SER A 19 -11.239 -2.019 2.895 1.00 0.00 C ATOM 269 O SER A 19 -11.962 -2.872 2.381 1.00 0.00 O ATOM 270 CB SER A 19 -8.773 -2.181 2.502 1.00 0.00 C ATOM 271 OG SER A 19 -7.530 -2.631 3.015 1.00 0.00 O ATOM 0 H SER A 19 -9.213 -4.384 3.516 1.00 0.00 H new ATOM 0 HA SER A 19 -9.724 -1.769 4.384 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.002 -2.711 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.706 -1.122 2.254 1.00 0.00 H new ATOM 0 HG SER A 19 -7.060 -3.147 2.327 1.00 0.00 H new ATOM 277 N HIS A 20 -11.562 -0.732 2.945 1.00 0.00 N ATOM 278 CA HIS A 20 -12.816 -0.236 2.388 1.00 0.00 C ATOM 279 C HIS A 20 -12.699 -0.038 0.880 1.00 0.00 C ATOM 280 O HIS A 20 -13.156 -0.872 0.097 1.00 0.00 O ATOM 281 CB HIS A 20 -13.215 1.078 3.063 1.00 0.00 C ATOM 282 CG HIS A 20 -13.623 0.916 4.493 1.00 0.00 C ATOM 283 ND1 HIS A 20 -13.438 1.898 5.444 1.00 0.00 N ATOM 284 CD2 HIS A 20 -14.211 -0.122 5.136 1.00 0.00 C ATOM 285 CE1 HIS A 20 -13.894 1.470 6.609 1.00 0.00 C ATOM 286 NE2 HIS A 20 -14.368 0.250 6.448 1.00 0.00 N ATOM 0 H HIS A 20 -10.973 -0.013 3.365 1.00 0.00 H new ATOM 0 HA HIS A 20 -13.590 -0.979 2.578 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -12.377 1.773 3.009 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -14.038 1.527 2.507 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -14.502 -1.065 4.698 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.881 2.025 7.535 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -14.784 -0.325 7.181 1.00 0.00 H new ATOM 295 N MET A 21 -12.085 1.071 0.475 1.00 0.00 N ATOM 296 CA MET A 21 -11.911 1.375 -0.938 1.00 0.00 C ATOM 297 C MET A 21 -10.731 2.321 -1.151 1.00 0.00 C ATOM 298 O MET A 21 -9.641 1.892 -1.529 1.00 0.00 O ATOM 299 CB MET A 21 -13.188 1.996 -1.512 1.00 0.00 C ATOM 300 CG MET A 21 -14.339 1.012 -1.644 1.00 0.00 C ATOM 301 SD MET A 21 -13.930 -0.402 -2.685 1.00 0.00 S ATOM 302 CE MET A 21 -14.678 0.093 -4.236 1.00 0.00 C ATOM 0 H MET A 21 -11.700 1.773 1.108 1.00 0.00 H new ATOM 0 HA MET A 21 -11.704 0.441 -1.460 1.00 0.00 H new ATOM 0 HB2 MET A 21 -13.499 2.822 -0.872 1.00 0.00 H new ATOM 0 HB3 MET A 21 -12.968 2.418 -2.493 1.00 0.00 H new ATOM 0 HG2 MET A 21 -14.624 0.658 -0.653 1.00 0.00 H new ATOM 0 HG3 MET A 21 -15.205 1.526 -2.061 1.00 0.00 H new ATOM 0 HE1 MET A 21 -14.510 -0.682 -4.984 1.00 0.00 H new ATOM 0 HE2 MET A 21 -15.749 0.235 -4.094 1.00 0.00 H new ATOM 0 HE3 MET A 21 -14.230 1.027 -4.574 1.00 0.00 H new ATOM 312 N SER A 22 -10.955 3.607 -0.903 1.00 0.00 N ATOM 313 CA SER A 22 -9.908 4.612 -1.068 1.00 0.00 C ATOM 314 C SER A 22 -9.307 5.018 0.271 1.00 0.00 C ATOM 315 O SER A 22 -8.478 5.926 0.344 1.00 0.00 O ATOM 316 CB SER A 22 -10.452 5.841 -1.797 1.00 0.00 C ATOM 317 OG SER A 22 -11.180 6.679 -0.914 1.00 0.00 O ATOM 0 H SER A 22 -11.851 3.979 -0.587 1.00 0.00 H new ATOM 0 HA SER A 22 -9.116 4.166 -1.670 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.627 6.401 -2.237 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.096 5.525 -2.617 1.00 0.00 H new ATOM 0 HG SER A 22 -11.515 7.458 -1.405 1.00 0.00 H new ATOM 323 N ASP A 23 -9.731 4.341 1.322 1.00 0.00 N ATOM 324 CA ASP A 23 -9.241 4.623 2.669 1.00 0.00 C ATOM 325 C ASP A 23 -8.007 3.805 2.995 1.00 0.00 C ATOM 326 O ASP A 23 -7.285 4.084 3.952 1.00 0.00 O ATOM 327 CB ASP A 23 -10.328 4.339 3.696 1.00 0.00 C ATOM 328 CG ASP A 23 -11.578 5.166 3.464 1.00 0.00 C ATOM 329 OD1 ASP A 23 -12.079 5.179 2.320 1.00 0.00 O ATOM 330 OD2 ASP A 23 -12.055 5.802 4.427 1.00 0.00 O ATOM 0 H ASP A 23 -10.417 3.588 1.274 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.971 5.678 2.706 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.586 3.280 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.942 4.543 4.695 1.00 0.00 H new ATOM 335 N GLU A 24 -7.781 2.805 2.183 1.00 0.00 N ATOM 336 CA GLU A 24 -6.633 1.919 2.347 1.00 0.00 C ATOM 337 C GLU A 24 -5.328 2.666 2.130 1.00 0.00 C ATOM 338 O GLU A 24 -4.252 2.209 2.515 1.00 0.00 O ATOM 339 CB GLU A 24 -6.726 0.735 1.386 1.00 0.00 C ATOM 340 CG GLU A 24 -5.813 -0.423 1.753 1.00 0.00 C ATOM 341 CD GLU A 24 -4.538 -0.440 0.933 1.00 0.00 C ATOM 342 OE1 GLU A 24 -4.050 0.650 0.566 1.00 0.00 O ATOM 343 OE2 GLU A 24 -4.025 -1.547 0.656 1.00 0.00 O ATOM 0 H GLU A 24 -8.378 2.573 1.389 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.646 1.544 3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.756 0.380 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.480 1.075 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.560 -0.360 2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.347 -1.362 1.608 1.00 0.00 H new ATOM 350 N LYS A 25 -5.453 3.820 1.522 1.00 0.00 N ATOM 351 CA LYS A 25 -4.314 4.683 1.240 1.00 0.00 C ATOM 352 C LYS A 25 -4.095 5.680 2.376 1.00 0.00 C ATOM 353 O LYS A 25 -2.991 6.193 2.561 1.00 0.00 O ATOM 354 CB LYS A 25 -4.528 5.432 -0.077 1.00 0.00 C ATOM 355 CG LYS A 25 -3.262 6.065 -0.630 1.00 0.00 C ATOM 356 CD LYS A 25 -3.557 7.389 -1.317 1.00 0.00 C ATOM 357 CE LYS A 25 -3.279 8.568 -0.398 1.00 0.00 C ATOM 358 NZ LYS A 25 -2.928 9.797 -1.161 1.00 0.00 N ATOM 0 H LYS A 25 -6.347 4.195 1.205 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.427 4.056 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.932 4.741 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.277 6.210 0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.550 6.224 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.792 5.383 -1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.948 7.477 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.600 7.411 -1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.156 8.762 0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.463 8.316 0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.746 10.577 -0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.076 9.621 -1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.717 10.053 -1.789 1.00 0.00 H new ATOM 372 N THR A 26 -5.155 5.951 3.135 1.00 0.00 N ATOM 373 CA THR A 26 -5.076 6.886 4.250 1.00 0.00 C ATOM 374 C THR A 26 -4.280 6.292 5.401 1.00 0.00 C ATOM 375 O THR A 26 -3.634 7.014 6.157 1.00 0.00 O ATOM 376 CB THR A 26 -6.472 7.304 4.714 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.471 6.561 4.041 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.752 8.774 4.477 1.00 0.00 C ATOM 0 H THR A 26 -6.076 5.536 2.997 1.00 0.00 H new ATOM 0 HA THR A 26 -4.555 7.778 3.903 1.00 0.00 H new ATOM 0 HB THR A 26 -6.497 7.107 5.786 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.514 5.656 4.415 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.757 9.014 4.825 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.025 9.375 5.023 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.676 8.992 3.412 1.00 0.00 H new ATOM 386 N GLN A 27 -4.301 4.971 5.521 1.00 0.00 N ATOM 387 CA GLN A 27 -3.546 4.302 6.571 1.00 0.00 C ATOM 388 C GLN A 27 -2.061 4.619 6.418 1.00 0.00 C ATOM 389 O GLN A 27 -1.295 4.566 7.380 1.00 0.00 O ATOM 390 CB GLN A 27 -3.770 2.789 6.514 1.00 0.00 C ATOM 391 CG GLN A 27 -3.665 2.106 7.868 1.00 0.00 C ATOM 392 CD GLN A 27 -4.928 2.251 8.693 1.00 0.00 C ATOM 393 OE1 GLN A 27 -5.286 3.350 9.114 1.00 0.00 O ATOM 394 NE2 GLN A 27 -5.612 1.136 8.928 1.00 0.00 N ATOM 0 H GLN A 27 -4.828 4.347 4.910 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.893 4.664 7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.756 2.592 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.039 2.347 5.836 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.451 1.047 7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.825 2.528 8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.278 0.246 8.559 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.471 1.171 9.477 1.00 0.00 H new ATOM 403 N LEU A 28 -1.671 4.960 5.190 1.00 0.00 N ATOM 404 CA LEU A 28 -0.287 5.301 4.877 1.00 0.00 C ATOM 405 C LEU A 28 -0.016 6.781 5.089 1.00 0.00 C ATOM 406 O LEU A 28 1.128 7.234 5.075 1.00 0.00 O ATOM 407 CB LEU A 28 0.020 4.925 3.434 1.00 0.00 C ATOM 408 CG LEU A 28 1.506 4.900 3.068 1.00 0.00 C ATOM 409 CD1 LEU A 28 1.822 3.695 2.194 1.00 0.00 C ATOM 410 CD2 LEU A 28 1.904 6.190 2.367 1.00 0.00 C ATOM 0 H LEU A 28 -2.302 5.007 4.390 1.00 0.00 H new ATOM 0 HA LEU A 28 0.359 4.740 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.403 3.941 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.488 5.630 2.776 1.00 0.00 H new ATOM 0 HG LEU A 28 2.085 4.816 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.883 3.695 1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.576 2.780 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.234 3.746 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.964 6.155 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.317 6.305 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.717 7.036 3.028 1.00 0.00 H new ATOM 422 N ILE A 29 -1.087 7.517 5.279 1.00 0.00 N ATOM 423 CA ILE A 29 -1.023 8.962 5.496 1.00 0.00 C ATOM 424 C ILE A 29 -0.287 9.308 6.771 1.00 0.00 C ATOM 425 O ILE A 29 0.125 10.447 6.996 1.00 0.00 O ATOM 426 CB ILE A 29 -2.430 9.575 5.541 1.00 0.00 C ATOM 427 CG1 ILE A 29 -3.113 9.425 4.187 1.00 0.00 C ATOM 428 CG2 ILE A 29 -2.385 11.037 5.973 1.00 0.00 C ATOM 429 CD1 ILE A 29 -2.648 10.406 3.142 1.00 0.00 C ATOM 0 H ILE A 29 -2.034 7.139 5.289 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.472 9.381 4.654 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.014 9.034 6.286 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.944 8.413 3.819 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.189 9.539 4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.397 11.441 5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.944 11.109 6.967 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.782 11.607 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.186 10.228 2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.843 11.422 3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.579 10.279 2.974 1.00 0.00 H new ATOM 441 N GLU A 30 -0.128 8.305 7.574 1.00 0.00 N ATOM 442 CA GLU A 30 0.564 8.424 8.852 1.00 0.00 C ATOM 443 C GLU A 30 2.073 8.423 8.670 1.00 0.00 C ATOM 444 O GLU A 30 2.833 8.476 9.638 1.00 0.00 O ATOM 445 CB GLU A 30 0.138 7.310 9.810 1.00 0.00 C ATOM 446 CG GLU A 30 -1.049 7.682 10.684 1.00 0.00 C ATOM 447 CD GLU A 30 -0.641 8.031 12.101 1.00 0.00 C ATOM 448 OE1 GLU A 30 0.301 8.834 12.268 1.00 0.00 O ATOM 449 OE2 GLU A 30 -1.265 7.503 13.047 1.00 0.00 O ATOM 0 H GLU A 30 -0.471 7.365 7.375 1.00 0.00 H new ATOM 0 HA GLU A 30 0.281 9.382 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.111 6.420 9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.982 7.049 10.449 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.571 8.530 10.240 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.754 6.851 10.707 1.00 0.00 H new ATOM 456 N ALA A 31 2.490 8.363 7.424 1.00 0.00 N ATOM 457 CA ALA A 31 3.908 8.354 7.079 1.00 0.00 C ATOM 458 C ALA A 31 4.414 9.765 6.799 1.00 0.00 C ATOM 459 O ALA A 31 5.587 10.069 7.015 1.00 0.00 O ATOM 460 CB ALA A 31 4.151 7.455 5.876 1.00 0.00 C ATOM 0 H ALA A 31 1.864 8.319 6.620 1.00 0.00 H new ATOM 0 HA ALA A 31 4.462 7.961 7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.213 7.457 5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.835 6.439 6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.580 7.824 5.024 1.00 0.00 H new ATOM 466 N PHE A 32 3.522 10.625 6.316 1.00 0.00 N ATOM 467 CA PHE A 32 3.877 12.005 6.005 1.00 0.00 C ATOM 468 C PHE A 32 4.463 12.712 7.226 1.00 0.00 C ATOM 469 O PHE A 32 5.211 13.680 7.092 1.00 0.00 O ATOM 470 CB PHE A 32 2.652 12.767 5.499 1.00 0.00 C ATOM 471 CG PHE A 32 2.477 12.701 4.009 1.00 0.00 C ATOM 472 CD1 PHE A 32 1.884 11.597 3.416 1.00 0.00 C ATOM 473 CD2 PHE A 32 2.905 13.743 3.201 1.00 0.00 C ATOM 474 CE1 PHE A 32 1.722 11.534 2.045 1.00 0.00 C ATOM 475 CE2 PHE A 32 2.744 13.684 1.830 1.00 0.00 C ATOM 476 CZ PHE A 32 2.153 12.578 1.251 1.00 0.00 C ATOM 0 H PHE A 32 2.547 10.390 6.131 1.00 0.00 H new ATOM 0 HA PHE A 32 4.636 11.988 5.223 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.760 12.365 5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.733 13.811 5.801 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.545 10.777 4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.369 14.610 3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.258 10.669 1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.080 14.503 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.028 12.530 0.179 1.00 0.00 H new ATOM 486 N TYR A 33 4.116 12.224 8.414 1.00 0.00 N ATOM 487 CA TYR A 33 4.609 12.811 9.653 1.00 0.00 C ATOM 488 C TYR A 33 5.821 12.046 10.177 1.00 0.00 C ATOM 489 O TYR A 33 6.011 11.914 11.386 1.00 0.00 O ATOM 490 CB TYR A 33 3.504 12.824 10.711 1.00 0.00 C ATOM 491 CG TYR A 33 2.256 13.558 10.273 1.00 0.00 C ATOM 492 CD1 TYR A 33 1.411 13.021 9.310 1.00 0.00 C ATOM 493 CD2 TYR A 33 1.924 14.791 10.823 1.00 0.00 C ATOM 494 CE1 TYR A 33 0.272 13.688 8.907 1.00 0.00 C ATOM 495 CE2 TYR A 33 0.785 15.464 10.426 1.00 0.00 C ATOM 496 CZ TYR A 33 -0.038 14.909 9.468 1.00 0.00 C ATOM 497 OH TYR A 33 -1.173 15.577 9.070 1.00 0.00 O ATOM 0 H TYR A 33 3.496 11.424 8.543 1.00 0.00 H new ATOM 0 HA TYR A 33 4.914 13.836 9.442 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.242 11.797 10.963 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.888 13.287 11.620 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.650 12.065 8.869 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.567 15.229 11.572 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.373 13.256 8.156 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.540 16.420 10.864 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.246 16.421 9.563 1.00 0.00 H new ATOM 507 N ASN A 34 6.638 11.542 9.258 1.00 0.00 N ATOM 508 CA ASN A 34 7.832 10.788 9.625 1.00 0.00 C ATOM 509 C ASN A 34 8.622 10.386 8.384 1.00 0.00 C ATOM 510 O ASN A 34 9.181 9.290 8.319 1.00 0.00 O ATOM 511 CB ASN A 34 7.450 9.544 10.427 1.00 0.00 C ATOM 512 CG ASN A 34 6.514 8.628 9.663 1.00 0.00 C ATOM 513 OD1 ASN A 34 5.305 8.626 9.892 1.00 0.00 O ATOM 514 ND2 ASN A 34 7.070 7.843 8.749 1.00 0.00 N ATOM 0 H ASN A 34 6.495 11.642 8.253 1.00 0.00 H new ATOM 0 HA ASN A 34 8.461 11.429 10.243 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.353 8.995 10.693 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.975 9.848 11.360 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.490 7.205 8.204 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.077 7.877 8.592 1.00 0.00 H new ATOM 521 N PHE A 35 8.665 11.279 7.399 1.00 0.00 N ATOM 522 CA PHE A 35 9.386 11.016 6.160 1.00 0.00 C ATOM 523 C PHE A 35 9.349 12.233 5.240 1.00 0.00 C ATOM 524 O PHE A 35 9.244 12.100 4.021 1.00 0.00 O ATOM 525 CB PHE A 35 8.789 9.803 5.445 1.00 0.00 C ATOM 526 CG PHE A 35 9.725 9.164 4.459 1.00 0.00 C ATOM 527 CD1 PHE A 35 10.948 8.662 4.872 1.00 0.00 C ATOM 528 CD2 PHE A 35 9.382 9.067 3.121 1.00 0.00 C ATOM 529 CE1 PHE A 35 11.811 8.074 3.968 1.00 0.00 C ATOM 530 CE2 PHE A 35 10.241 8.480 2.211 1.00 0.00 C ATOM 531 CZ PHE A 35 11.458 7.982 2.636 1.00 0.00 C ATOM 0 H PHE A 35 8.209 12.191 7.436 1.00 0.00 H new ATOM 0 HA PHE A 35 10.425 10.805 6.412 1.00 0.00 H new ATOM 0 HB2 PHE A 35 8.496 9.061 6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 35 7.881 10.109 4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.230 8.731 5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.432 9.455 2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.762 7.686 4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.962 8.411 1.170 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.132 7.522 1.928 1.00 0.00 H new ATOM 541 N ASP A 36 9.434 13.419 5.832 1.00 0.00 N ATOM 542 CA ASP A 36 9.409 14.660 5.066 1.00 0.00 C ATOM 543 C ASP A 36 10.794 15.296 5.013 1.00 0.00 C ATOM 544 O ASP A 36 10.933 16.517 5.084 1.00 0.00 O ATOM 545 CB ASP A 36 8.409 15.642 5.679 1.00 0.00 C ATOM 546 CG ASP A 36 8.722 15.958 7.130 1.00 0.00 C ATOM 547 OD1 ASP A 36 9.893 16.275 7.428 1.00 0.00 O ATOM 548 OD2 ASP A 36 7.797 15.887 7.966 1.00 0.00 O ATOM 0 H ASP A 36 9.521 13.548 6.840 1.00 0.00 H new ATOM 0 HA ASP A 36 9.099 14.422 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.410 16.566 5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.405 15.224 5.610 1.00 0.00 H new ATOM 553 N GLY A 37 11.819 14.458 4.886 1.00 0.00 N ATOM 554 CA GLY A 37 13.180 14.957 4.824 1.00 0.00 C ATOM 555 C GLY A 37 13.419 15.849 3.623 1.00 0.00 C ATOM 556 O GLY A 37 13.709 17.037 3.771 1.00 0.00 O ATOM 0 H GLY A 37 11.731 13.444 4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.401 15.513 5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.871 14.115 4.790 1.00 0.00 H new ATOM 560 N ASP A 38 13.297 15.277 2.430 1.00 0.00 N ATOM 561 CA ASP A 38 13.502 16.027 1.196 1.00 0.00 C ATOM 562 C ASP A 38 13.234 15.152 -0.025 1.00 0.00 C ATOM 563 O ASP A 38 14.046 15.089 -0.949 1.00 0.00 O ATOM 564 CB ASP A 38 14.928 16.581 1.141 1.00 0.00 C ATOM 565 CG ASP A 38 15.974 15.497 1.312 1.00 0.00 C ATOM 566 OD1 ASP A 38 16.008 14.869 2.390 1.00 0.00 O ATOM 567 OD2 ASP A 38 16.761 15.277 0.366 1.00 0.00 O ATOM 0 H ASP A 38 13.057 14.295 2.291 1.00 0.00 H new ATOM 0 HA ASP A 38 12.797 16.858 1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.083 17.085 0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.054 17.331 1.922 1.00 0.00 H new ATOM 572 N TYR A 39 12.090 14.475 -0.021 1.00 0.00 N ATOM 573 CA TYR A 39 11.714 13.602 -1.127 1.00 0.00 C ATOM 574 C TYR A 39 12.737 12.486 -1.308 1.00 0.00 C ATOM 575 O TYR A 39 13.809 12.700 -1.874 1.00 0.00 O ATOM 576 CB TYR A 39 11.585 14.409 -2.421 1.00 0.00 C ATOM 577 CG TYR A 39 10.320 15.232 -2.500 1.00 0.00 C ATOM 578 CD1 TYR A 39 9.074 14.640 -2.338 1.00 0.00 C ATOM 579 CD2 TYR A 39 10.372 16.599 -2.737 1.00 0.00 C ATOM 580 CE1 TYR A 39 7.913 15.389 -2.412 1.00 0.00 C ATOM 581 CE2 TYR A 39 9.218 17.356 -2.812 1.00 0.00 C ATOM 582 CZ TYR A 39 7.991 16.746 -2.648 1.00 0.00 C ATOM 583 OH TYR A 39 6.840 17.496 -2.721 1.00 0.00 O ATOM 0 H TYR A 39 11.407 14.514 0.736 1.00 0.00 H new ATOM 0 HA TYR A 39 10.749 13.152 -0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.445 15.072 -2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.617 13.726 -3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.010 13.578 -2.151 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.331 17.079 -2.865 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.951 14.914 -2.286 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.276 18.418 -2.998 1.00 0.00 H new ATOM 0 HH TYR A 39 7.070 18.433 -2.891 1.00 0.00 H new ATOM 593 N ASP A 40 12.398 11.296 -0.825 1.00 0.00 N ATOM 594 CA ASP A 40 13.287 10.144 -0.935 1.00 0.00 C ATOM 595 C ASP A 40 13.148 9.476 -2.298 1.00 0.00 C ATOM 596 O ASP A 40 12.039 9.244 -2.778 1.00 0.00 O ATOM 597 CB ASP A 40 12.987 9.135 0.175 1.00 0.00 C ATOM 598 CG ASP A 40 13.823 9.377 1.417 1.00 0.00 C ATOM 599 OD1 ASP A 40 14.031 10.556 1.772 1.00 0.00 O ATOM 600 OD2 ASP A 40 14.269 8.386 2.036 1.00 0.00 O ATOM 0 H ASP A 40 11.514 11.103 -0.353 1.00 0.00 H new ATOM 0 HA ASP A 40 14.313 10.497 -0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.930 9.189 0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 40 13.173 8.126 -0.194 1.00 0.00 H new ATOM 605 N GLY A 41 14.283 9.168 -2.919 1.00 0.00 N ATOM 606 CA GLY A 41 14.267 8.528 -4.220 1.00 0.00 C ATOM 607 C GLY A 41 14.506 7.033 -4.139 1.00 0.00 C ATOM 608 O GLY A 41 14.112 6.286 -5.034 1.00 0.00 O ATOM 0 H GLY A 41 15.213 9.351 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.306 8.713 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.031 8.980 -4.852 1.00 0.00 H new ATOM 612 N PHE A 42 15.155 6.595 -3.064 1.00 0.00 N ATOM 613 CA PHE A 42 15.446 5.178 -2.873 1.00 0.00 C ATOM 614 C PHE A 42 15.585 4.845 -1.391 1.00 0.00 C ATOM 615 O PHE A 42 16.400 5.439 -0.685 1.00 0.00 O ATOM 616 CB PHE A 42 16.724 4.793 -3.617 1.00 0.00 C ATOM 617 CG PHE A 42 16.966 3.312 -3.673 1.00 0.00 C ATOM 618 CD1 PHE A 42 17.304 2.608 -2.529 1.00 0.00 C ATOM 619 CD2 PHE A 42 16.853 2.623 -4.870 1.00 0.00 C ATOM 620 CE1 PHE A 42 17.525 1.245 -2.578 1.00 0.00 C ATOM 621 CE2 PHE A 42 17.074 1.260 -4.926 1.00 0.00 C ATOM 622 CZ PHE A 42 17.411 0.570 -3.777 1.00 0.00 C ATOM 0 H PHE A 42 15.489 7.200 -2.313 1.00 0.00 H new ATOM 0 HA PHE A 42 14.612 4.604 -3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 42 16.674 5.183 -4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.574 5.273 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.396 3.130 -1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.589 3.158 -5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 42 17.787 0.708 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 42 16.984 0.735 -5.866 1.00 0.00 H new ATOM 0 HZ PHE A 42 17.585 -0.495 -3.817 1.00 0.00 H new ATOM 632 N VAL A 43 14.786 3.890 -0.928 1.00 0.00 N ATOM 633 CA VAL A 43 14.820 3.474 0.470 1.00 0.00 C ATOM 634 C VAL A 43 15.067 1.974 0.587 1.00 0.00 C ATOM 635 O VAL A 43 14.431 1.175 -0.099 1.00 0.00 O ATOM 636 CB VAL A 43 13.508 3.830 1.196 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.326 3.121 0.551 1.00 0.00 C ATOM 638 CG2 VAL A 43 13.602 3.486 2.676 1.00 0.00 C ATOM 0 H VAL A 43 14.106 3.389 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 43 15.641 4.013 0.943 1.00 0.00 H new ATOM 0 HB VAL A 43 13.349 4.905 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.410 3.386 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.244 3.425 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.476 2.043 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.666 3.745 3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.789 2.418 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.419 4.048 3.129 1.00 0.00 H new ATOM 648 N SER A 44 15.993 1.598 1.463 1.00 0.00 N ATOM 649 CA SER A 44 16.322 0.193 1.670 1.00 0.00 C ATOM 650 C SER A 44 15.392 -0.436 2.702 1.00 0.00 C ATOM 651 O SER A 44 14.949 0.228 3.640 1.00 0.00 O ATOM 652 CB SER A 44 17.776 0.051 2.121 1.00 0.00 C ATOM 653 OG SER A 44 18.220 1.215 2.795 1.00 0.00 O ATOM 0 H SER A 44 16.528 2.246 2.040 1.00 0.00 H new ATOM 0 HA SER A 44 16.190 -0.330 0.723 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.873 -0.812 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.411 -0.136 1.255 1.00 0.00 H new ATOM 0 HG SER A 44 19.152 1.096 3.074 1.00 0.00 H new ATOM 659 N VAL A 45 15.104 -1.722 2.523 1.00 0.00 N ATOM 660 CA VAL A 45 14.229 -2.446 3.438 1.00 0.00 C ATOM 661 C VAL A 45 14.706 -2.304 4.881 1.00 0.00 C ATOM 662 O VAL A 45 13.950 -1.881 5.756 1.00 0.00 O ATOM 663 CB VAL A 45 14.161 -3.944 3.075 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.292 -4.706 4.061 1.00 0.00 C ATOM 665 CG2 VAL A 45 13.648 -4.126 1.655 1.00 0.00 C ATOM 0 H VAL A 45 15.464 -2.284 1.752 1.00 0.00 H new ATOM 0 HA VAL A 45 13.235 -2.009 3.343 1.00 0.00 H new ATOM 0 HB VAL A 45 15.170 -4.352 3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.262 -5.759 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.708 -4.609 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.281 -4.298 4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.607 -5.189 1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.650 -3.696 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.319 -3.624 0.958 1.00 0.00 H new ATOM 675 N GLU A 46 15.964 -2.663 5.122 1.00 0.00 N ATOM 676 CA GLU A 46 16.545 -2.578 6.458 1.00 0.00 C ATOM 677 C GLU A 46 16.240 -1.226 7.100 1.00 0.00 C ATOM 678 O GLU A 46 16.082 -1.126 8.316 1.00 0.00 O ATOM 679 CB GLU A 46 18.056 -2.798 6.391 1.00 0.00 C ATOM 680 CG GLU A 46 18.458 -4.017 5.575 1.00 0.00 C ATOM 681 CD GLU A 46 19.896 -4.432 5.820 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.807 -3.742 5.315 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.110 -5.447 6.514 1.00 0.00 O ATOM 0 H GLU A 46 16.601 -3.016 4.408 1.00 0.00 H new ATOM 0 HA GLU A 46 16.098 -3.358 7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.525 -1.913 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.445 -2.905 7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.797 -4.848 5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.321 -3.802 4.515 1.00 0.00 H new ATOM 690 N GLU A 47 16.147 -0.195 6.268 1.00 0.00 N ATOM 691 CA GLU A 47 15.846 1.150 6.746 1.00 0.00 C ATOM 692 C GLU A 47 14.338 1.369 6.799 1.00 0.00 C ATOM 693 O GLU A 47 13.838 2.133 7.623 1.00 0.00 O ATOM 694 CB GLU A 47 16.495 2.195 5.836 1.00 0.00 C ATOM 695 CG GLU A 47 17.932 1.871 5.463 1.00 0.00 C ATOM 696 CD GLU A 47 18.896 2.093 6.613 1.00 0.00 C ATOM 697 OE1 GLU A 47 18.725 3.089 7.348 1.00 0.00 O ATOM 698 OE2 GLU A 47 19.821 1.270 6.779 1.00 0.00 O ATOM 0 H GLU A 47 16.276 -0.264 5.259 1.00 0.00 H new ATOM 0 HA GLU A 47 16.252 1.258 7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.904 2.288 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.468 3.164 6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.994 0.833 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.232 2.489 4.617 1.00 0.00 H new ATOM 705 N PHE A 48 13.621 0.687 5.911 1.00 0.00 N ATOM 706 CA PHE A 48 12.169 0.795 5.849 1.00 0.00 C ATOM 707 C PHE A 48 11.525 0.159 7.078 1.00 0.00 C ATOM 708 O PHE A 48 10.535 0.666 7.605 1.00 0.00 O ATOM 709 CB PHE A 48 11.651 0.119 4.576 1.00 0.00 C ATOM 710 CG PHE A 48 10.680 0.959 3.795 1.00 0.00 C ATOM 711 CD1 PHE A 48 9.705 1.701 4.442 1.00 0.00 C ATOM 712 CD2 PHE A 48 10.744 1.004 2.412 1.00 0.00 C ATOM 713 CE1 PHE A 48 8.810 2.471 3.724 1.00 0.00 C ATOM 714 CE2 PHE A 48 9.853 1.773 1.689 1.00 0.00 C ATOM 715 CZ PHE A 48 8.886 2.508 2.344 1.00 0.00 C ATOM 0 H PHE A 48 14.025 0.052 5.223 1.00 0.00 H new ATOM 0 HA PHE A 48 11.901 1.851 5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.498 -0.129 3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.169 -0.821 4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.644 1.677 5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.499 0.432 1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.053 3.043 4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.913 1.799 0.611 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.190 3.111 1.780 1.00 0.00 H new ATOM 725 N ARG A 49 12.096 -0.956 7.527 1.00 0.00 N ATOM 726 CA ARG A 49 11.579 -1.662 8.694 1.00 0.00 C ATOM 727 C ARG A 49 11.565 -0.755 9.919 1.00 0.00 C ATOM 728 O ARG A 49 10.547 -0.627 10.598 1.00 0.00 O ATOM 729 CB ARG A 49 12.421 -2.907 8.977 1.00 0.00 C ATOM 730 CG ARG A 49 12.303 -3.979 7.905 1.00 0.00 C ATOM 731 CD ARG A 49 13.624 -4.700 7.690 1.00 0.00 C ATOM 732 NE ARG A 49 13.429 -6.070 7.223 1.00 0.00 N ATOM 733 CZ ARG A 49 14.426 -6.902 6.932 1.00 0.00 C ATOM 734 NH1 ARG A 49 15.688 -6.508 7.057 1.00 0.00 N ATOM 735 NH2 ARG A 49 14.162 -8.132 6.514 1.00 0.00 N ATOM 0 H ARG A 49 12.915 -1.389 7.101 1.00 0.00 H new ATOM 0 HA ARG A 49 10.554 -1.965 8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.467 -2.614 9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.119 -3.329 9.936 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.537 -4.699 8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.979 -3.525 6.969 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.223 -4.151 6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.187 -4.712 8.623 1.00 0.00 H new ATOM 0 HE ARG A 49 12.473 -6.409 7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 49 15.898 -5.563 7.378 1.00 0.00 H new ATOM 0 HH12 ARG A 49 16.448 -7.151 6.832 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.195 -8.441 6.415 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.926 -8.770 6.291 1.00 0.00 H new ATOM 749 N GLY A 50 12.703 -0.124 10.195 1.00 0.00 N ATOM 750 CA GLY A 50 12.800 0.766 11.338 1.00 0.00 C ATOM 751 C GLY A 50 11.755 1.865 11.305 1.00 0.00 C ATOM 752 O GLY A 50 11.369 2.397 12.346 1.00 0.00 O ATOM 0 H GLY A 50 13.559 -0.213 9.648 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.687 0.188 12.255 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.794 1.214 11.363 1.00 0.00 H new ATOM 756 N ILE A 51 11.294 2.204 10.105 1.00 0.00 N ATOM 757 CA ILE A 51 10.287 3.243 9.938 1.00 0.00 C ATOM 758 C ILE A 51 8.884 2.688 10.163 1.00 0.00 C ATOM 759 O ILE A 51 8.064 3.302 10.844 1.00 0.00 O ATOM 760 CB ILE A 51 10.360 3.876 8.533 1.00 0.00 C ATOM 761 CG1 ILE A 51 11.789 4.329 8.230 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.395 5.046 8.426 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.079 4.467 6.751 1.00 0.00 C ATOM 0 H ILE A 51 11.603 1.773 9.234 1.00 0.00 H new ATOM 0 HA ILE A 51 10.495 4.010 10.684 1.00 0.00 H new ATOM 0 HB ILE A 51 10.071 3.125 7.797 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.969 5.287 8.718 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.488 3.614 8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.459 5.481 7.429 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.378 4.696 8.604 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.655 5.801 9.168 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.110 4.791 6.611 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.931 3.505 6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.405 5.204 6.315 1.00 0.00 H new ATOM 775 N ILE A 52 8.617 1.519 9.588 1.00 0.00 N ATOM 776 CA ILE A 52 7.313 0.879 9.726 1.00 0.00 C ATOM 777 C ILE A 52 7.077 0.414 11.161 1.00 0.00 C ATOM 778 O ILE A 52 5.936 0.322 11.611 1.00 0.00 O ATOM 779 CB ILE A 52 7.180 -0.327 8.775 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.381 0.116 7.325 1.00 0.00 C ATOM 781 CG2 ILE A 52 5.821 -0.996 8.943 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.290 1.032 6.815 1.00 0.00 C ATOM 0 H ILE A 52 9.286 0.996 9.023 1.00 0.00 H new ATOM 0 HA ILE A 52 6.562 1.624 9.463 1.00 0.00 H new ATOM 0 HB ILE A 52 7.953 -1.053 9.028 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.341 0.625 7.239 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.430 -0.767 6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.747 -1.845 8.263 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.711 -1.343 9.970 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.032 -0.279 8.716 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.498 1.305 5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.330 0.519 6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.255 1.932 7.428 1.00 0.00 H new ATOM 794 N ARG A 53 8.162 0.124 11.875 1.00 0.00 N ATOM 795 CA ARG A 53 8.068 -0.332 13.259 1.00 0.00 C ATOM 796 C ARG A 53 7.226 0.628 14.095 1.00 0.00 C ATOM 797 O ARG A 53 6.213 0.237 14.675 1.00 0.00 O ATOM 798 CB ARG A 53 9.464 -0.466 13.867 1.00 0.00 C ATOM 799 CG ARG A 53 9.601 -1.643 14.820 1.00 0.00 C ATOM 800 CD ARG A 53 10.680 -1.395 15.861 1.00 0.00 C ATOM 801 NE ARG A 53 12.023 -1.536 15.302 1.00 0.00 N ATOM 802 CZ ARG A 53 13.120 -1.688 16.039 1.00 0.00 C ATOM 803 NH1 ARG A 53 13.039 -1.720 17.364 1.00 0.00 N ATOM 804 NH2 ARG A 53 14.303 -1.808 15.450 1.00 0.00 N ATOM 0 H ARG A 53 9.115 0.197 11.519 1.00 0.00 H new ATOM 0 HA ARG A 53 7.581 -1.307 13.262 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.193 -0.573 13.063 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.709 0.453 14.400 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.648 -1.822 15.318 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.840 -2.544 14.255 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.562 -0.393 16.273 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.555 -2.096 16.686 1.00 0.00 H new ATOM 0 HE ARG A 53 12.125 -1.517 14.287 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.132 -1.628 17.822 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.884 -1.837 17.924 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.371 -1.784 14.433 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.144 -1.925 16.015 1.00 0.00 H new ATOM 818 N ASP A 54 7.653 1.886 14.151 1.00 0.00 N ATOM 819 CA ASP A 54 6.937 2.901 14.915 1.00 0.00 C ATOM 820 C ASP A 54 6.299 3.940 13.997 1.00 0.00 C ATOM 821 O ASP A 54 5.893 5.012 14.447 1.00 0.00 O ATOM 822 CB ASP A 54 7.888 3.591 15.897 1.00 0.00 C ATOM 823 CG ASP A 54 7.149 4.382 16.959 1.00 0.00 C ATOM 824 OD1 ASP A 54 6.207 3.828 17.563 1.00 0.00 O ATOM 825 OD2 ASP A 54 7.512 5.555 17.185 1.00 0.00 O ATOM 0 H ASP A 54 8.490 2.226 13.677 1.00 0.00 H new ATOM 0 HA ASP A 54 6.142 2.402 15.470 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.516 2.841 16.378 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.552 4.258 15.347 1.00 0.00 H new ATOM 830 N GLY A 55 6.212 3.622 12.706 1.00 0.00 N ATOM 831 CA GLY A 55 5.623 4.547 11.756 1.00 0.00 C ATOM 832 C GLY A 55 4.182 4.207 11.427 1.00 0.00 C ATOM 833 O GLY A 55 3.256 4.731 12.048 1.00 0.00 O ATOM 0 H GLY A 55 6.538 2.743 12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.670 5.558 12.162 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.212 4.544 10.839 1.00 0.00 H new ATOM 837 N LEU A 56 3.993 3.331 10.447 1.00 0.00 N ATOM 838 CA LEU A 56 2.654 2.925 10.034 1.00 0.00 C ATOM 839 C LEU A 56 2.314 1.535 10.570 1.00 0.00 C ATOM 840 O LEU A 56 3.179 0.662 10.643 1.00 0.00 O ATOM 841 CB LEU A 56 2.544 2.931 8.507 1.00 0.00 C ATOM 842 CG LEU A 56 3.272 4.080 7.808 1.00 0.00 C ATOM 843 CD1 LEU A 56 3.556 3.726 6.357 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.456 5.361 7.897 1.00 0.00 C ATOM 0 H LEU A 56 4.749 2.888 9.924 1.00 0.00 H new ATOM 0 HA LEU A 56 1.943 3.640 10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.936 1.988 8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.489 2.971 8.234 1.00 0.00 H new ATOM 0 HG LEU A 56 4.224 4.244 8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.074 4.555 5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.181 2.834 6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.616 3.535 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.989 6.168 7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.489 5.211 7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.304 5.624 8.944 1.00 0.00 H new ATOM 856 N PRO A 57 1.045 1.310 10.951 1.00 0.00 N ATOM 857 CA PRO A 57 0.598 0.020 11.477 1.00 0.00 C ATOM 858 C PRO A 57 0.442 -1.026 10.379 1.00 0.00 C ATOM 859 O PRO A 57 -0.650 -1.225 9.847 1.00 0.00 O ATOM 860 CB PRO A 57 -0.756 0.347 12.102 1.00 0.00 C ATOM 861 CG PRO A 57 -1.267 1.499 11.307 1.00 0.00 C ATOM 862 CD PRO A 57 -0.055 2.295 10.895 1.00 0.00 C ATOM 0 HA PRO A 57 1.314 -0.409 12.179 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.434 -0.505 12.047 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.654 0.606 13.156 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.822 1.154 10.434 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.950 2.108 11.899 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.170 2.711 9.894 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.122 3.133 11.570 1.00 0.00 H new ATOM 870 N MET A 58 1.542 -1.689 10.046 1.00 0.00 N ATOM 871 CA MET A 58 1.535 -2.713 9.010 1.00 0.00 C ATOM 872 C MET A 58 2.070 -4.036 9.552 1.00 0.00 C ATOM 873 O MET A 58 3.029 -4.061 10.322 1.00 0.00 O ATOM 874 CB MET A 58 2.378 -2.260 7.815 1.00 0.00 C ATOM 875 CG MET A 58 1.870 -2.773 6.476 1.00 0.00 C ATOM 876 SD MET A 58 2.576 -1.876 5.076 1.00 0.00 S ATOM 877 CE MET A 58 2.567 -3.144 3.808 1.00 0.00 C ATOM 0 H MET A 58 2.452 -1.535 10.480 1.00 0.00 H new ATOM 0 HA MET A 58 0.505 -2.863 8.685 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.402 -1.171 7.791 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.404 -2.598 7.957 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.109 -3.832 6.382 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.784 -2.688 6.447 1.00 0.00 H new ATOM 0 HE1 MET A 58 2.823 -2.699 2.847 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.297 -3.914 4.058 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.575 -3.591 3.748 1.00 0.00 H new ATOM 887 N THR A 59 1.449 -5.134 9.133 1.00 0.00 N ATOM 888 CA THR A 59 1.868 -6.464 9.563 1.00 0.00 C ATOM 889 C THR A 59 2.924 -7.025 8.619 1.00 0.00 C ATOM 890 O THR A 59 2.871 -6.803 7.411 1.00 0.00 O ATOM 891 CB THR A 59 0.668 -7.410 9.625 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.302 -7.059 8.652 1.00 0.00 O ATOM 893 CG2 THR A 59 -0.017 -7.424 10.975 1.00 0.00 C ATOM 0 H THR A 59 0.653 -5.129 8.495 1.00 0.00 H new ATOM 0 HA THR A 59 2.300 -6.378 10.560 1.00 0.00 H new ATOM 0 HB THR A 59 1.076 -8.403 9.434 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.665 -7.873 8.243 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.859 -8.116 10.949 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.691 -7.744 11.739 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.377 -6.423 11.211 1.00 0.00 H new ATOM 901 N GLU A 60 3.886 -7.750 9.177 1.00 0.00 N ATOM 902 CA GLU A 60 4.961 -8.343 8.387 1.00 0.00 C ATOM 903 C GLU A 60 4.413 -8.936 7.093 1.00 0.00 C ATOM 904 O GLU A 60 4.879 -8.628 6.003 1.00 0.00 O ATOM 905 CB GLU A 60 5.681 -9.410 9.224 1.00 0.00 C ATOM 906 CG GLU A 60 5.378 -10.851 8.835 1.00 0.00 C ATOM 907 CD GLU A 60 6.251 -11.849 9.572 1.00 0.00 C ATOM 908 OE1 GLU A 60 7.376 -12.116 9.101 1.00 0.00 O ATOM 909 OE2 GLU A 60 5.808 -12.361 10.622 1.00 0.00 O ATOM 0 H GLU A 60 3.945 -7.943 10.177 1.00 0.00 H new ATOM 0 HA GLU A 60 5.678 -7.568 8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.756 -9.247 9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.414 -9.269 10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.330 -11.067 9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.521 -10.972 7.761 1.00 0.00 H new ATOM 916 N ALA A 61 3.415 -9.785 7.232 1.00 0.00 N ATOM 917 CA ALA A 61 2.783 -10.435 6.088 1.00 0.00 C ATOM 918 C ALA A 61 2.513 -9.454 4.950 1.00 0.00 C ATOM 919 O ALA A 61 2.499 -9.840 3.783 1.00 0.00 O ATOM 920 CB ALA A 61 1.494 -11.104 6.519 1.00 0.00 C ATOM 0 H ALA A 61 3.016 -10.047 8.134 1.00 0.00 H new ATOM 0 HA ALA A 61 3.476 -11.188 5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.029 -11.586 5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.710 -11.852 7.282 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.814 -10.356 6.926 1.00 0.00 H new ATOM 926 N GLU A 62 2.301 -8.189 5.291 1.00 0.00 N ATOM 927 CA GLU A 62 2.040 -7.169 4.280 1.00 0.00 C ATOM 928 C GLU A 62 3.344 -6.544 3.806 1.00 0.00 C ATOM 929 O GLU A 62 3.605 -6.468 2.607 1.00 0.00 O ATOM 930 CB GLU A 62 1.108 -6.077 4.817 1.00 0.00 C ATOM 931 CG GLU A 62 0.308 -6.489 6.040 1.00 0.00 C ATOM 932 CD GLU A 62 -0.460 -7.778 5.829 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.097 -7.925 4.764 1.00 0.00 O ATOM 934 OE2 GLU A 62 -0.425 -8.644 6.730 1.00 0.00 O ATOM 0 H GLU A 62 2.304 -7.845 6.251 1.00 0.00 H new ATOM 0 HA GLU A 62 1.548 -7.657 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.702 -5.197 5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.417 -5.783 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.983 -6.608 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.390 -5.693 6.298 1.00 0.00 H new ATOM 941 N ILE A 63 4.161 -6.097 4.755 1.00 0.00 N ATOM 942 CA ILE A 63 5.446 -5.475 4.427 1.00 0.00 C ATOM 943 C ILE A 63 6.467 -6.513 3.985 1.00 0.00 C ATOM 944 O ILE A 63 7.173 -6.317 3.000 1.00 0.00 O ATOM 945 CB ILE A 63 6.037 -4.687 5.613 1.00 0.00 C ATOM 946 CG1 ILE A 63 4.932 -4.024 6.428 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.027 -3.647 5.112 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.595 -4.785 7.685 1.00 0.00 C ATOM 0 H ILE A 63 3.960 -6.152 5.754 1.00 0.00 H new ATOM 0 HA ILE A 63 5.240 -4.783 3.610 1.00 0.00 H new ATOM 0 HB ILE A 63 6.563 -5.386 6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.240 -3.012 6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.037 -3.934 5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.437 -3.097 5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.836 -4.143 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.519 -2.954 4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.802 -4.265 8.223 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.259 -5.788 7.424 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.480 -4.852 8.318 1.00 0.00 H new ATOM 960 N THR A 64 6.535 -7.618 4.714 1.00 0.00 N ATOM 961 CA THR A 64 7.465 -8.689 4.389 1.00 0.00 C ATOM 962 C THR A 64 7.131 -9.271 3.027 1.00 0.00 C ATOM 963 O THR A 64 8.003 -9.424 2.171 1.00 0.00 O ATOM 964 CB THR A 64 7.395 -9.788 5.445 1.00 0.00 C ATOM 965 OG1 THR A 64 7.859 -9.316 6.697 1.00 0.00 O ATOM 966 CG2 THR A 64 8.198 -11.019 5.086 1.00 0.00 C ATOM 0 H THR A 64 5.957 -7.796 5.535 1.00 0.00 H new ATOM 0 HA THR A 64 8.475 -8.279 4.368 1.00 0.00 H new ATOM 0 HB THR A 64 6.343 -10.067 5.498 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.804 -10.036 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.104 -11.759 5.880 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.823 -11.438 4.152 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.247 -10.747 4.966 1.00 0.00 H new ATOM 974 N GLU A 65 5.855 -9.583 2.831 1.00 0.00 N ATOM 975 CA GLU A 65 5.402 -10.135 1.562 1.00 0.00 C ATOM 976 C GLU A 65 5.537 -9.105 0.464 1.00 0.00 C ATOM 977 O GLU A 65 5.517 -9.421 -0.726 1.00 0.00 O ATOM 978 CB GLU A 65 3.957 -10.615 1.663 1.00 0.00 C ATOM 979 CG GLU A 65 3.524 -11.496 0.502 1.00 0.00 C ATOM 980 CD GLU A 65 2.896 -10.703 -0.627 1.00 0.00 C ATOM 981 OE1 GLU A 65 1.790 -10.159 -0.426 1.00 0.00 O ATOM 982 OE2 GLU A 65 3.508 -10.628 -1.712 1.00 0.00 O ATOM 0 H GLU A 65 5.121 -9.464 3.530 1.00 0.00 H new ATOM 0 HA GLU A 65 6.030 -10.992 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.831 -11.168 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.298 -9.748 1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.388 -12.041 0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.811 -12.239 0.860 1.00 0.00 H new ATOM 989 N PHE A 66 5.695 -7.874 0.890 1.00 0.00 N ATOM 990 CA PHE A 66 5.863 -6.756 -0.021 1.00 0.00 C ATOM 991 C PHE A 66 7.343 -6.432 -0.196 1.00 0.00 C ATOM 992 O PHE A 66 7.747 -5.846 -1.199 1.00 0.00 O ATOM 993 CB PHE A 66 5.112 -5.521 0.484 1.00 0.00 C ATOM 994 CG PHE A 66 3.666 -5.479 0.068 1.00 0.00 C ATOM 995 CD1 PHE A 66 2.920 -6.644 -0.027 1.00 0.00 C ATOM 996 CD2 PHE A 66 3.054 -4.271 -0.227 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.593 -6.604 -0.410 1.00 0.00 C ATOM 998 CE2 PHE A 66 1.728 -4.226 -0.610 1.00 0.00 C ATOM 999 CZ PHE A 66 0.996 -5.394 -0.702 1.00 0.00 C ATOM 0 H PHE A 66 5.711 -7.615 1.876 1.00 0.00 H new ATOM 0 HA PHE A 66 5.446 -7.041 -0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.169 -5.492 1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.613 -4.626 0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.381 -7.593 0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.621 -3.354 -0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.023 -7.519 -0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.263 -3.278 -0.838 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.041 -5.361 -1.002 1.00 0.00 H new ATOM 1009 N PHE A 67 8.148 -6.818 0.795 1.00 0.00 N ATOM 1010 CA PHE A 67 9.583 -6.569 0.756 1.00 0.00 C ATOM 1011 C PHE A 67 10.268 -7.514 -0.223 1.00 0.00 C ATOM 1012 O PHE A 67 11.220 -7.136 -0.905 1.00 0.00 O ATOM 1013 CB PHE A 67 10.184 -6.738 2.154 1.00 0.00 C ATOM 1014 CG PHE A 67 10.129 -5.496 3.004 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.305 -4.238 2.446 1.00 0.00 C ATOM 1016 CD2 PHE A 67 9.905 -5.592 4.369 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.255 -3.103 3.234 1.00 0.00 C ATOM 1018 CE2 PHE A 67 9.855 -4.462 5.161 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.030 -3.215 4.591 1.00 0.00 C ATOM 0 H PHE A 67 7.827 -7.304 1.633 1.00 0.00 H new ATOM 0 HA PHE A 67 9.745 -5.545 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.657 -7.541 2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.223 -7.051 2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.483 -4.144 1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.768 -6.564 4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.392 -2.129 2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.680 -4.552 6.223 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.991 -2.329 5.207 1.00 0.00 H new ATOM 1029 N GLU A 68 9.774 -8.748 -0.290 1.00 0.00 N ATOM 1030 CA GLU A 68 10.336 -9.748 -1.188 1.00 0.00 C ATOM 1031 C GLU A 68 9.897 -9.494 -2.627 1.00 0.00 C ATOM 1032 O GLU A 68 10.621 -9.806 -3.572 1.00 0.00 O ATOM 1033 CB GLU A 68 9.909 -11.152 -0.753 1.00 0.00 C ATOM 1034 CG GLU A 68 10.117 -11.418 0.729 1.00 0.00 C ATOM 1035 CD GLU A 68 11.559 -11.749 1.066 1.00 0.00 C ATOM 1036 OE1 GLU A 68 12.081 -12.744 0.519 1.00 0.00 O ATOM 1037 OE2 GLU A 68 12.164 -11.014 1.873 1.00 0.00 O ATOM 0 H GLU A 68 8.986 -9.077 0.268 1.00 0.00 H new ATOM 0 HA GLU A 68 11.422 -9.675 -1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.856 -11.294 -0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.470 -11.888 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.807 -10.542 1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.477 -12.244 1.040 1.00 0.00 H new ATOM 1044 N ALA A 69 8.706 -8.924 -2.785 1.00 0.00 N ATOM 1045 CA ALA A 69 8.170 -8.627 -4.110 1.00 0.00 C ATOM 1046 C ALA A 69 8.775 -7.360 -4.688 1.00 0.00 C ATOM 1047 O ALA A 69 8.610 -7.049 -5.868 1.00 0.00 O ATOM 1048 CB ALA A 69 6.662 -8.504 -4.045 1.00 0.00 C ATOM 0 H ALA A 69 8.094 -8.659 -2.013 1.00 0.00 H new ATOM 0 HA ALA A 69 8.437 -9.452 -4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.272 -8.282 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.236 -9.442 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.392 -7.699 -3.361 1.00 0.00 H new ATOM 1054 N ALA A 70 9.472 -6.647 -3.840 1.00 0.00 N ATOM 1055 CA ALA A 70 10.125 -5.402 -4.222 1.00 0.00 C ATOM 1056 C ALA A 70 11.587 -5.642 -4.590 1.00 0.00 C ATOM 1057 O ALA A 70 12.152 -4.933 -5.422 1.00 0.00 O ATOM 1058 CB ALA A 70 10.021 -4.383 -3.096 1.00 0.00 C ATOM 0 H ALA A 70 9.608 -6.906 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 70 9.616 -5.007 -5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.513 -3.458 -3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.971 -4.183 -2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.504 -4.778 -2.202 1.00 0.00 H new ATOM 1064 N ASP A 71 12.190 -6.647 -3.965 1.00 0.00 N ATOM 1065 CA ASP A 71 13.584 -6.985 -4.227 1.00 0.00 C ATOM 1066 C ASP A 71 13.731 -8.471 -4.551 1.00 0.00 C ATOM 1067 O ASP A 71 13.634 -9.317 -3.664 1.00 0.00 O ATOM 1068 CB ASP A 71 14.450 -6.628 -3.016 1.00 0.00 C ATOM 1069 CG ASP A 71 15.916 -6.486 -3.376 1.00 0.00 C ATOM 1070 OD1 ASP A 71 16.291 -5.429 -3.926 1.00 0.00 O ATOM 1071 OD2 ASP A 71 16.688 -7.430 -3.109 1.00 0.00 O ATOM 0 H ASP A 71 11.735 -7.242 -3.273 1.00 0.00 H new ATOM 0 HA ASP A 71 13.918 -6.408 -5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.094 -5.695 -2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.339 -7.399 -2.253 1.00 0.00 H new ATOM 1076 N PRO A 72 13.966 -8.814 -5.832 1.00 0.00 N ATOM 1077 CA PRO A 72 14.122 -10.209 -6.256 1.00 0.00 C ATOM 1078 C PRO A 72 15.379 -10.852 -5.678 1.00 0.00 C ATOM 1079 O PRO A 72 15.413 -12.057 -5.427 1.00 0.00 O ATOM 1080 CB PRO A 72 14.223 -10.116 -7.781 1.00 0.00 C ATOM 1081 CG PRO A 72 14.690 -8.726 -8.051 1.00 0.00 C ATOM 1082 CD PRO A 72 14.098 -7.875 -6.962 1.00 0.00 C ATOM 0 HA PRO A 72 13.297 -10.831 -5.910 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.923 -10.852 -8.176 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.259 -10.308 -8.253 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.779 -8.671 -8.042 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.362 -8.387 -9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.745 -7.034 -6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.134 -7.460 -7.255 1.00 0.00 H new ATOM 1090 N ASN A 73 16.409 -10.039 -5.467 1.00 0.00 N ATOM 1091 CA ASN A 73 17.668 -10.527 -4.916 1.00 0.00 C ATOM 1092 C ASN A 73 17.552 -10.756 -3.412 1.00 0.00 C ATOM 1093 O ASN A 73 18.260 -11.587 -2.843 1.00 0.00 O ATOM 1094 CB ASN A 73 18.794 -9.535 -5.206 1.00 0.00 C ATOM 1095 CG ASN A 73 18.909 -9.206 -6.683 1.00 0.00 C ATOM 1096 OD1 ASN A 73 19.148 -10.085 -7.511 1.00 0.00 O ATOM 1097 ND2 ASN A 73 18.738 -7.932 -7.019 1.00 0.00 N ATOM 0 H ASN A 73 16.397 -9.039 -5.669 1.00 0.00 H new ATOM 0 HA ASN A 73 17.899 -11.479 -5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 73 18.619 -8.617 -4.645 1.00 0.00 H new ATOM 0 HB3 ASN A 73 19.739 -9.949 -4.854 1.00 0.00 H new ATOM 0 HD21 ASN A 73 18.803 -7.649 -7.997 1.00 0.00 H new ATOM 0 HD22 ASN A 73 18.541 -7.237 -6.299 1.00 0.00 H new ATOM 1104 N ASN A 74 16.661 -10.004 -2.771 1.00 0.00 N ATOM 1105 CA ASN A 74 16.453 -10.111 -1.333 1.00 0.00 C ATOM 1106 C ASN A 74 17.630 -9.505 -0.588 1.00 0.00 C ATOM 1107 O ASN A 74 18.040 -9.998 0.463 1.00 0.00 O ATOM 1108 CB ASN A 74 16.260 -11.567 -0.907 1.00 0.00 C ATOM 1109 CG ASN A 74 15.314 -12.318 -1.822 1.00 0.00 C ATOM 1110 OD1 ASN A 74 14.094 -12.229 -1.683 1.00 0.00 O ATOM 1111 ND2 ASN A 74 15.874 -13.067 -2.767 1.00 0.00 N ATOM 0 H ASN A 74 16.069 -9.311 -3.229 1.00 0.00 H new ATOM 0 HA ASN A 74 15.546 -9.561 -1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 74 17.227 -12.070 -0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 74 15.874 -11.596 0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.288 -13.596 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.890 -13.112 -2.847 1.00 0.00 H new ATOM 1118 N THR A 75 18.167 -8.424 -1.142 1.00 0.00 N ATOM 1119 CA THR A 75 19.298 -7.738 -0.535 1.00 0.00 C ATOM 1120 C THR A 75 18.828 -6.729 0.512 1.00 0.00 C ATOM 1121 O THR A 75 19.600 -5.882 0.961 1.00 0.00 O ATOM 1122 CB THR A 75 20.130 -7.034 -1.610 1.00 0.00 C ATOM 1123 OG1 THR A 75 21.022 -6.101 -1.026 1.00 0.00 O ATOM 1124 CG2 THR A 75 19.293 -6.291 -2.630 1.00 0.00 C ATOM 0 H THR A 75 17.836 -8.005 -2.011 1.00 0.00 H new ATOM 0 HA THR A 75 19.919 -8.483 -0.037 1.00 0.00 H new ATOM 0 HB THR A 75 20.670 -7.832 -2.120 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.944 -6.141 -0.050 1.00 0.00 H new ATOM 0 HG21 THR A 75 19.947 -5.816 -3.361 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.630 -6.992 -3.137 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.698 -5.529 -2.127 1.00 0.00 H new ATOM 1132 N GLY A 76 17.557 -6.822 0.895 1.00 0.00 N ATOM 1133 CA GLY A 76 17.011 -5.912 1.879 1.00 0.00 C ATOM 1134 C GLY A 76 16.882 -4.501 1.346 1.00 0.00 C ATOM 1135 O GLY A 76 16.908 -3.535 2.108 1.00 0.00 O ATOM 0 H GLY A 76 16.897 -7.514 0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.031 -6.269 2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.651 -5.908 2.762 1.00 0.00 H new ATOM 1139 N PHE A 77 16.737 -4.383 0.032 1.00 0.00 N ATOM 1140 CA PHE A 77 16.596 -3.081 -0.604 1.00 0.00 C ATOM 1141 C PHE A 77 15.241 -2.965 -1.292 1.00 0.00 C ATOM 1142 O PHE A 77 14.449 -3.908 -1.284 1.00 0.00 O ATOM 1143 CB PHE A 77 17.720 -2.857 -1.619 1.00 0.00 C ATOM 1144 CG PHE A 77 18.966 -2.273 -1.015 1.00 0.00 C ATOM 1145 CD1 PHE A 77 19.554 -2.858 0.095 1.00 0.00 C ATOM 1146 CD2 PHE A 77 19.552 -1.142 -1.561 1.00 0.00 C ATOM 1147 CE1 PHE A 77 20.701 -2.323 0.651 1.00 0.00 C ATOM 1148 CE2 PHE A 77 20.699 -0.603 -1.009 1.00 0.00 C ATOM 1149 CZ PHE A 77 21.274 -1.194 0.098 1.00 0.00 C ATOM 0 H PHE A 77 16.714 -5.173 -0.613 1.00 0.00 H new ATOM 0 HA PHE A 77 16.662 -2.315 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 77 17.966 -3.808 -2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 77 17.361 -2.193 -2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 77 19.111 -3.742 0.531 1.00 0.00 H new ATOM 0 HD2 PHE A 77 19.107 -0.676 -2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 77 21.149 -2.787 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 77 21.145 0.280 -1.443 1.00 0.00 H new ATOM 0 HZ PHE A 77 22.170 -0.775 0.531 1.00 0.00 H new ATOM 1159 N ILE A 78 14.978 -1.807 -1.885 1.00 0.00 N ATOM 1160 CA ILE A 78 13.714 -1.577 -2.573 1.00 0.00 C ATOM 1161 C ILE A 78 13.852 -0.534 -3.669 1.00 0.00 C ATOM 1162 O ILE A 78 14.681 0.373 -3.586 1.00 0.00 O ATOM 1163 CB ILE A 78 12.617 -1.085 -1.603 1.00 0.00 C ATOM 1164 CG1 ILE A 78 12.312 -2.126 -0.533 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.340 -0.739 -2.362 1.00 0.00 C ATOM 1166 CD1 ILE A 78 11.238 -1.669 0.429 1.00 0.00 C ATOM 0 H ILE A 78 15.621 -1.015 -1.903 1.00 0.00 H new ATOM 0 HA ILE A 78 13.433 -2.538 -3.003 1.00 0.00 H new ATOM 0 HB ILE A 78 12.996 -0.188 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.996 -3.053 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.223 -2.349 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.581 -0.395 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.549 0.049 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.976 -1.624 -2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.059 -2.447 1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.563 -0.757 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.317 -1.473 -0.120 1.00 0.00 H new ATOM 1178 N ASP A 79 12.986 -0.639 -4.664 1.00 0.00 N ATOM 1179 CA ASP A 79 12.949 0.322 -5.750 1.00 0.00 C ATOM 1180 C ASP A 79 11.819 1.300 -5.467 1.00 0.00 C ATOM 1181 O ASP A 79 10.658 1.008 -5.749 1.00 0.00 O ATOM 1182 CB ASP A 79 12.733 -0.380 -7.091 1.00 0.00 C ATOM 1183 CG ASP A 79 12.672 0.594 -8.251 1.00 0.00 C ATOM 1184 OD1 ASP A 79 13.336 1.650 -8.175 1.00 0.00 O ATOM 1185 OD2 ASP A 79 11.961 0.301 -9.235 1.00 0.00 O ATOM 0 H ASP A 79 12.296 -1.386 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 79 13.899 0.852 -5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.541 -1.091 -7.260 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.807 -0.953 -7.053 1.00 0.00 H new ATOM 1190 N TYR A 80 12.166 2.438 -4.869 1.00 0.00 N ATOM 1191 CA TYR A 80 11.188 3.463 -4.492 1.00 0.00 C ATOM 1192 C TYR A 80 9.964 3.462 -5.405 1.00 0.00 C ATOM 1193 O TYR A 80 8.833 3.601 -4.940 1.00 0.00 O ATOM 1194 CB TYR A 80 11.840 4.846 -4.508 1.00 0.00 C ATOM 1195 CG TYR A 80 10.998 5.922 -3.860 1.00 0.00 C ATOM 1196 CD1 TYR A 80 11.043 6.132 -2.488 1.00 0.00 C ATOM 1197 CD2 TYR A 80 10.158 6.725 -4.622 1.00 0.00 C ATOM 1198 CE1 TYR A 80 10.275 7.115 -1.892 1.00 0.00 C ATOM 1199 CE2 TYR A 80 9.388 7.710 -4.033 1.00 0.00 C ATOM 1200 CZ TYR A 80 9.449 7.901 -2.669 1.00 0.00 C ATOM 1201 OH TYR A 80 8.683 8.880 -2.080 1.00 0.00 O ATOM 0 H TYR A 80 13.129 2.677 -4.632 1.00 0.00 H new ATOM 0 HA TYR A 80 10.848 3.225 -3.484 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.801 4.791 -3.996 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.045 5.130 -5.540 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.688 5.518 -1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 80 10.106 6.577 -5.691 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.321 7.267 -0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.741 8.327 -4.639 1.00 0.00 H new ATOM 0 HH TYR A 80 8.159 9.343 -2.767 1.00 0.00 H new ATOM 1211 N LYS A 81 10.192 3.301 -6.704 1.00 0.00 N ATOM 1212 CA LYS A 81 9.098 3.277 -7.667 1.00 0.00 C ATOM 1213 C LYS A 81 8.218 2.050 -7.452 1.00 0.00 C ATOM 1214 O LYS A 81 7.013 2.171 -7.236 1.00 0.00 O ATOM 1215 CB LYS A 81 9.641 3.293 -9.097 1.00 0.00 C ATOM 1216 CG LYS A 81 9.820 4.692 -9.662 1.00 0.00 C ATOM 1217 CD LYS A 81 11.015 4.766 -10.598 1.00 0.00 C ATOM 1218 CE LYS A 81 12.323 4.591 -9.845 1.00 0.00 C ATOM 1219 NZ LYS A 81 13.308 3.787 -10.620 1.00 0.00 N ATOM 0 H LYS A 81 11.120 3.186 -7.112 1.00 0.00 H new ATOM 0 HA LYS A 81 8.491 4.170 -7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.600 2.776 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.962 2.734 -9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.918 4.987 -10.198 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.952 5.401 -8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.928 3.994 -11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.016 5.727 -11.113 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.748 5.570 -9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.129 4.104 -8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.186 3.691 -10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.914 2.844 -10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.513 4.264 -11.521 1.00 0.00 H new ATOM 1233 N ALA A 82 8.829 0.869 -7.503 1.00 0.00 N ATOM 1234 CA ALA A 82 8.097 -0.377 -7.299 1.00 0.00 C ATOM 1235 C ALA A 82 7.290 -0.320 -6.007 1.00 0.00 C ATOM 1236 O ALA A 82 6.257 -0.977 -5.874 1.00 0.00 O ATOM 1237 CB ALA A 82 9.056 -1.559 -7.270 1.00 0.00 C ATOM 0 H ALA A 82 9.826 0.749 -7.683 1.00 0.00 H new ATOM 0 HA ALA A 82 7.407 -0.509 -8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.494 -2.480 -7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.593 -1.615 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.769 -1.429 -6.455 1.00 0.00 H new ATOM 1243 N PHE A 83 7.774 0.474 -5.058 1.00 0.00 N ATOM 1244 CA PHE A 83 7.109 0.629 -3.773 1.00 0.00 C ATOM 1245 C PHE A 83 6.101 1.772 -3.821 1.00 0.00 C ATOM 1246 O PHE A 83 5.071 1.736 -3.148 1.00 0.00 O ATOM 1247 CB PHE A 83 8.143 0.881 -2.675 1.00 0.00 C ATOM 1248 CG PHE A 83 8.104 -0.147 -1.583 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.303 -1.486 -1.875 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.865 0.222 -0.271 1.00 0.00 C ATOM 1251 CE1 PHE A 83 8.263 -2.440 -0.878 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.825 -0.728 0.733 1.00 0.00 C ATOM 1253 CZ PHE A 83 8.024 -2.060 0.428 1.00 0.00 C ATOM 0 H PHE A 83 8.629 1.022 -5.157 1.00 0.00 H new ATOM 0 HA PHE A 83 6.571 -0.292 -3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 83 9.139 0.894 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.973 1.867 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.492 -1.787 -2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.708 1.263 -0.029 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.418 -3.481 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.638 -0.429 1.754 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.993 -2.804 1.210 1.00 0.00 H new ATOM 1263 N ALA A 84 6.404 2.786 -4.624 1.00 0.00 N ATOM 1264 CA ALA A 84 5.528 3.942 -4.766 1.00 0.00 C ATOM 1265 C ALA A 84 4.342 3.632 -5.677 1.00 0.00 C ATOM 1266 O ALA A 84 3.334 4.338 -5.658 1.00 0.00 O ATOM 1267 CB ALA A 84 6.309 5.133 -5.300 1.00 0.00 C ATOM 0 H ALA A 84 7.253 2.830 -5.188 1.00 0.00 H new ATOM 0 HA ALA A 84 5.136 4.189 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.642 5.989 -5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.114 5.380 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.731 4.884 -6.274 1.00 0.00 H new ATOM 1273 N ALA A 85 4.470 2.575 -6.478 1.00 0.00 N ATOM 1274 CA ALA A 85 3.405 2.180 -7.394 1.00 0.00 C ATOM 1275 C ALA A 85 2.212 1.596 -6.657 1.00 0.00 C ATOM 1276 O ALA A 85 1.139 1.403 -7.227 1.00 0.00 O ATOM 1277 CB ALA A 85 3.931 1.189 -8.416 1.00 0.00 C ATOM 0 H ALA A 85 5.298 1.980 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 85 3.064 3.078 -7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.126 0.903 -9.093 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.739 1.648 -8.986 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.307 0.303 -7.904 1.00 0.00 H new ATOM 1283 N MET A 86 2.422 1.326 -5.392 1.00 0.00 N ATOM 1284 CA MET A 86 1.383 0.766 -4.536 1.00 0.00 C ATOM 1285 C MET A 86 0.356 1.830 -4.165 1.00 0.00 C ATOM 1286 O MET A 86 -0.832 1.541 -4.033 1.00 0.00 O ATOM 1287 CB MET A 86 2.002 0.173 -3.268 1.00 0.00 C ATOM 1288 CG MET A 86 2.369 -1.297 -3.400 1.00 0.00 C ATOM 1289 SD MET A 86 3.699 -1.577 -4.584 1.00 0.00 S ATOM 1290 CE MET A 86 4.852 -2.513 -3.582 1.00 0.00 C ATOM 0 H MET A 86 3.312 1.484 -4.920 1.00 0.00 H new ATOM 0 HA MET A 86 0.877 -0.026 -5.089 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.896 0.740 -3.011 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.301 0.291 -2.442 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.669 -1.682 -2.425 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.489 -1.861 -3.708 1.00 0.00 H new ATOM 0 HE1 MET A 86 5.731 -2.762 -4.176 1.00 0.00 H new ATOM 0 HE2 MET A 86 5.153 -1.916 -2.721 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.374 -3.430 -3.238 1.00 0.00 H new ATOM 1300 N LEU A 87 0.826 3.063 -4.001 1.00 0.00 N ATOM 1301 CA LEU A 87 -0.054 4.176 -3.648 1.00 0.00 C ATOM 1302 C LEU A 87 -0.550 4.903 -4.880 1.00 0.00 C ATOM 1303 O LEU A 87 -1.398 5.792 -4.812 1.00 0.00 O ATOM 1304 CB LEU A 87 0.678 5.150 -2.741 1.00 0.00 C ATOM 1305 CG LEU A 87 1.084 4.594 -1.376 1.00 0.00 C ATOM 1306 CD1 LEU A 87 2.456 5.112 -0.974 1.00 0.00 C ATOM 1307 CD2 LEU A 87 0.047 4.954 -0.323 1.00 0.00 C ATOM 0 H LEU A 87 1.808 3.318 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.917 3.765 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.575 5.496 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.044 6.023 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 87 1.136 3.508 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.727 4.705 0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.193 4.802 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.432 6.200 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.353 4.550 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.038 6.038 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.918 4.532 -0.604 1.00 0.00 H new ATOM 1319 N TYR A 88 -0.003 4.501 -5.991 1.00 0.00 N ATOM 1320 CA TYR A 88 -0.346 5.074 -7.287 1.00 0.00 C ATOM 1321 C TYR A 88 -0.764 3.987 -8.274 1.00 0.00 C ATOM 1322 O TYR A 88 -0.699 4.179 -9.488 1.00 0.00 O ATOM 1323 CB TYR A 88 0.837 5.863 -7.850 1.00 0.00 C ATOM 1324 CG TYR A 88 1.414 6.867 -6.878 1.00 0.00 C ATOM 1325 CD1 TYR A 88 0.603 7.816 -6.269 1.00 0.00 C ATOM 1326 CD2 TYR A 88 2.769 6.866 -6.570 1.00 0.00 C ATOM 1327 CE1 TYR A 88 1.126 8.738 -5.381 1.00 0.00 C ATOM 1328 CE2 TYR A 88 3.299 7.783 -5.682 1.00 0.00 C ATOM 1329 CZ TYR A 88 2.475 8.716 -5.090 1.00 0.00 C ATOM 1330 OH TYR A 88 2.998 9.630 -4.206 1.00 0.00 O ATOM 0 H TYR A 88 0.699 3.763 -6.037 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.189 5.750 -7.143 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.620 5.165 -8.146 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.518 6.385 -8.752 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.453 7.834 -6.493 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.418 6.137 -7.032 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.482 9.471 -4.918 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.354 7.769 -5.453 1.00 0.00 H new ATOM 0 HH TYR A 88 3.961 9.478 -4.110 1.00 0.00 H new ATOM 1340 N SER A 89 -1.193 2.847 -7.745 1.00 0.00 N ATOM 1341 CA SER A 89 -1.623 1.731 -8.580 1.00 0.00 C ATOM 1342 C SER A 89 -3.003 1.994 -9.174 1.00 0.00 C ATOM 1343 O SER A 89 -3.995 1.396 -8.758 1.00 0.00 O ATOM 1344 CB SER A 89 -1.643 0.435 -7.766 1.00 0.00 C ATOM 1345 OG SER A 89 -2.017 0.683 -6.421 1.00 0.00 O ATOM 0 H SER A 89 -1.252 2.671 -6.742 1.00 0.00 H new ATOM 0 HA SER A 89 -0.910 1.627 -9.398 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.341 -0.270 -8.217 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.658 -0.030 -7.793 1.00 0.00 H new ATOM 0 HG SER A 89 -1.220 0.902 -5.895 1.00 0.00 H new ATOM 1351 N VAL A 90 -3.058 2.894 -10.150 1.00 0.00 N ATOM 1352 CA VAL A 90 -4.315 3.238 -10.803 1.00 0.00 C ATOM 1353 C VAL A 90 -4.072 3.819 -12.192 1.00 0.00 C ATOM 1354 O VAL A 90 -4.304 5.004 -12.432 1.00 0.00 O ATOM 1355 CB VAL A 90 -5.125 4.247 -9.967 1.00 0.00 C ATOM 1356 CG1 VAL A 90 -5.633 3.597 -8.688 1.00 0.00 C ATOM 1357 CG2 VAL A 90 -4.284 5.475 -9.652 1.00 0.00 C ATOM 0 H VAL A 90 -2.246 3.398 -10.506 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.887 2.315 -10.895 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.988 4.565 -10.552 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.203 4.326 -8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.274 2.752 -8.939 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.787 3.248 -8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.872 6.177 -9.061 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.401 5.176 -9.087 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.976 5.953 -10.582 1.00 0.00 H new ATOM 1367 N ASP A 91 -3.601 2.976 -13.105 1.00 0.00 N ATOM 1368 CA ASP A 91 -3.323 3.405 -14.471 1.00 0.00 C ATOM 1369 C ASP A 91 -2.267 4.504 -14.493 1.00 0.00 C ATOM 1370 O ASP A 91 -2.590 5.687 -14.619 1.00 0.00 O ATOM 1371 CB ASP A 91 -4.605 3.898 -15.142 1.00 0.00 C ATOM 1372 CG ASP A 91 -5.711 2.861 -15.114 1.00 0.00 C ATOM 1373 OD1 ASP A 91 -5.722 1.981 -16.000 1.00 0.00 O ATOM 1374 OD2 ASP A 91 -6.565 2.928 -14.205 1.00 0.00 O ATOM 0 H ASP A 91 -3.404 1.992 -12.924 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.938 2.548 -15.024 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.948 4.804 -14.642 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.390 4.167 -16.176 1.00 0.00 H new ATOM 1379 N GLU A 92 -1.005 4.109 -14.368 1.00 0.00 N ATOM 1380 CA GLU A 92 0.099 5.061 -14.372 1.00 0.00 C ATOM 1381 C GLU A 92 1.370 4.418 -14.917 1.00 0.00 C ATOM 1382 O GLU A 92 2.053 4.991 -15.766 1.00 0.00 O ATOM 1383 CB GLU A 92 0.347 5.592 -12.960 1.00 0.00 C ATOM 1384 CG GLU A 92 1.214 6.841 -12.924 1.00 0.00 C ATOM 1385 CD GLU A 92 2.193 6.839 -11.766 1.00 0.00 C ATOM 1386 OE1 GLU A 92 1.790 7.219 -10.647 1.00 0.00 O ATOM 1387 OE2 GLU A 92 3.363 6.455 -11.979 1.00 0.00 O ATOM 0 H GLU A 92 -0.721 3.135 -14.263 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.173 5.892 -15.022 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.611 5.811 -12.490 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.823 4.812 -12.366 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.765 6.923 -13.861 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.574 7.721 -12.853 1.00 0.00 H new ATOM 1394 N SER A 93 1.682 3.224 -14.423 1.00 0.00 N ATOM 1395 CA SER A 93 2.871 2.502 -14.860 1.00 0.00 C ATOM 1396 C SER A 93 2.529 1.064 -15.234 1.00 0.00 C ATOM 1397 O SER A 93 3.357 0.416 -15.907 1.00 0.00 O ATOM 1398 CB SER A 93 3.935 2.516 -13.761 1.00 0.00 C ATOM 1399 OG SER A 93 5.049 1.718 -14.118 1.00 0.00 O ATOM 1400 OXT SER A 93 1.436 0.598 -14.849 1.00 0.00 O ATOM 0 H SER A 93 1.127 2.736 -13.720 1.00 0.00 H new ATOM 0 HA SER A 93 3.265 3.004 -15.744 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.261 3.540 -13.580 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.505 2.149 -12.829 1.00 0.00 H new ATOM 0 HG SER A 93 4.829 1.186 -14.911 1.00 0.00 H new TER 1406 SER A 93