USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 737 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 38 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 39 THR OG1 : rot -21:sc= 0.28 USER MOD Set 2.1: A 30 HIS : no HD1:sc= -14.5! C(o=-15!,f=-14!) USER MOD Set 2.2: A 31 MET CE :methyl -120:sc= -0.952 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 156:sc= -0.0592 (180deg=-0.47) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -2.17 K(o=-2.2,f=-0.29) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.17) USER MOD Single : A 48 THR OG1 : rot 150:sc= 0 USER MOD Single : A 49 THR OG1 : rot 55:sc= -0.485! USER MOD Single : A 52 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.2) USER MOD Single : A 54 SER OG : rot 37:sc= 0.136 USER MOD Single : A 57 TYR OH : rot 30:sc= -3.03! USER MOD Single : A 58 THR OG1 : rot -2:sc= 0.651 USER MOD Single : A 59 TYR OH : rot -81:sc= 0.257 USER MOD Single : A 61 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.87) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 66 GLN : amide:sc= -0.019 K(o=-0.019,f=-1.4!) USER MOD Single : A 69 THR OG1 : rot 82:sc= 0.0743 USER MOD Single : A 73 GLN : amide:sc= -1.15 X(o=-1.1,f=-1.5) USER MOD Single : A 74 SER OG : rot 180:sc= -0.646 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -3.14! K(o=-3.1!,f=-1.2) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 94 ASN : amide:sc= -4.03! K(o=-4!,f=-0.39) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -7.26! C(o=-7.3!,f=-10!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -2.91! K(o=-2.9!,f=-1.1) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.586 K(o=-0.59,f=-1.8!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc=-0.000154 K(o=-0.00015,f=-0.61) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.27) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -32.459 19.196 -69.021 1.00 0.00 N ATOM 2 CA GLY A 15 -32.798 18.454 -67.819 1.00 0.00 C ATOM 3 C GLY A 15 -31.567 18.258 -66.930 1.00 0.00 C ATOM 4 O GLY A 15 -30.458 18.633 -67.308 1.00 0.00 O ATOM 0 HA2 GLY A 15 -33.571 18.987 -67.264 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -33.213 17.483 -68.091 1.00 0.00 H new ATOM 8 N SER A 16 -31.805 17.671 -65.767 1.00 0.00 N ATOM 9 CA SER A 16 -30.730 17.422 -64.821 1.00 0.00 C ATOM 10 C SER A 16 -31.284 16.746 -63.565 1.00 0.00 C ATOM 11 O SER A 16 -32.474 16.851 -63.273 1.00 0.00 O ATOM 12 CB SER A 16 -30.009 18.720 -64.451 1.00 0.00 C ATOM 13 OG SER A 16 -30.877 19.647 -63.806 1.00 0.00 O ATOM 0 H SER A 16 -32.726 17.360 -65.458 1.00 0.00 H new ATOM 0 HA SER A 16 -30.006 16.758 -65.294 1.00 0.00 H new ATOM 0 HB2 SER A 16 -29.168 18.494 -63.795 1.00 0.00 H new ATOM 0 HB3 SER A 16 -29.597 19.175 -65.352 1.00 0.00 H new ATOM 0 HG SER A 16 -30.379 20.462 -63.584 1.00 0.00 H new ATOM 18 N GLY A 17 -30.394 16.067 -62.855 1.00 0.00 N ATOM 19 CA GLY A 17 -30.779 15.375 -61.638 1.00 0.00 C ATOM 20 C GLY A 17 -29.650 14.468 -61.143 1.00 0.00 C ATOM 21 O GLY A 17 -28.480 14.841 -61.196 1.00 0.00 O ATOM 0 H GLY A 17 -29.408 15.982 -63.100 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -31.031 16.102 -60.866 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -31.674 14.781 -61.821 1.00 0.00 H new ATOM 25 N MET A 18 -30.042 13.292 -60.671 1.00 0.00 N ATOM 26 CA MET A 18 -29.078 12.330 -60.167 1.00 0.00 C ATOM 27 C MET A 18 -28.308 12.898 -58.973 1.00 0.00 C ATOM 28 O MET A 18 -27.804 14.018 -59.032 1.00 0.00 O ATOM 29 CB MET A 18 -28.095 11.961 -61.279 1.00 0.00 C ATOM 30 CG MET A 18 -28.799 11.195 -62.402 1.00 0.00 C ATOM 31 SD MET A 18 -29.412 12.336 -63.630 1.00 0.00 S ATOM 32 CE MET A 18 -31.165 12.039 -63.481 1.00 0.00 C ATOM 0 H MET A 18 -31.014 12.985 -60.628 1.00 0.00 H new ATOM 0 HA MET A 18 -29.618 11.442 -59.838 1.00 0.00 H new ATOM 0 HB2 MET A 18 -27.639 12.866 -61.681 1.00 0.00 H new ATOM 0 HB3 MET A 18 -27.288 11.353 -60.869 1.00 0.00 H new ATOM 0 HG2 MET A 18 -28.106 10.490 -62.862 1.00 0.00 H new ATOM 0 HG3 MET A 18 -29.623 10.611 -61.993 1.00 0.00 H new ATOM 0 HE1 MET A 18 -31.713 12.914 -63.829 1.00 0.00 H new ATOM 0 HE2 MET A 18 -31.440 11.174 -64.085 1.00 0.00 H new ATOM 0 HE3 MET A 18 -31.414 11.847 -62.437 1.00 0.00 H new ATOM 40 N LYS A 19 -28.244 12.098 -57.918 1.00 0.00 N ATOM 41 CA LYS A 19 -27.544 12.507 -56.712 1.00 0.00 C ATOM 42 C LYS A 19 -27.515 11.340 -55.724 1.00 0.00 C ATOM 43 O LYS A 19 -28.234 10.358 -55.897 1.00 0.00 O ATOM 44 CB LYS A 19 -28.166 13.783 -56.139 1.00 0.00 C ATOM 45 CG LYS A 19 -27.317 15.009 -56.480 1.00 0.00 C ATOM 46 CD LYS A 19 -28.196 16.177 -56.930 1.00 0.00 C ATOM 47 CE LYS A 19 -27.692 17.499 -56.349 1.00 0.00 C ATOM 48 NZ LYS A 19 -26.508 17.976 -57.098 1.00 0.00 N ATOM 0 H LYS A 19 -28.665 11.170 -57.874 1.00 0.00 H new ATOM 0 HA LYS A 19 -26.508 12.759 -56.939 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -29.173 13.911 -56.537 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -28.260 13.691 -55.057 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -26.732 15.304 -55.609 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -26.609 14.757 -57.269 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -28.203 16.233 -58.019 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -29.225 16.005 -56.613 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -28.483 18.247 -56.393 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -27.436 17.367 -55.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -26.178 18.874 -56.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -25.749 17.268 -57.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -26.764 18.121 -58.096 1.00 0.00 H new ATOM 58 N GLU A 20 -26.674 11.485 -54.710 1.00 0.00 N ATOM 59 CA GLU A 20 -26.542 10.455 -53.694 1.00 0.00 C ATOM 60 C GLU A 20 -25.547 10.896 -52.618 1.00 0.00 C ATOM 61 O GLU A 20 -25.066 12.027 -52.639 1.00 0.00 O ATOM 62 CB GLU A 20 -26.121 9.123 -54.317 1.00 0.00 C ATOM 63 CG GLU A 20 -24.715 9.216 -54.913 1.00 0.00 C ATOM 64 CD GLU A 20 -23.954 7.900 -54.732 1.00 0.00 C ATOM 65 OE1 GLU A 20 -23.972 7.386 -53.593 1.00 0.00 O ATOM 66 OE2 GLU A 20 -23.374 7.437 -55.738 1.00 0.00 O ATOM 0 H GLU A 20 -26.077 12.300 -54.571 1.00 0.00 H new ATOM 0 HA GLU A 20 -27.514 10.308 -53.224 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -26.148 8.339 -53.560 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -26.831 8.840 -55.094 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -24.781 9.459 -55.973 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -24.166 10.027 -54.434 1.00 0.00 H new ATOM 71 N THR A 21 -25.269 9.978 -51.704 1.00 0.00 N ATOM 72 CA THR A 21 -24.340 10.257 -50.622 1.00 0.00 C ATOM 73 C THR A 21 -23.816 8.953 -50.018 1.00 0.00 C ATOM 74 O THR A 21 -22.607 8.764 -49.892 1.00 0.00 O ATOM 75 CB THR A 21 -25.052 11.153 -49.607 1.00 0.00 C ATOM 76 OG1 THR A 21 -26.434 10.851 -49.786 1.00 0.00 O ATOM 77 CG2 THR A 21 -24.948 12.638 -49.961 1.00 0.00 C ATOM 0 H THR A 21 -25.671 9.041 -51.690 1.00 0.00 H new ATOM 0 HA THR A 21 -23.459 10.787 -50.985 1.00 0.00 H new ATOM 0 HB THR A 21 -24.629 10.985 -48.617 1.00 0.00 H new ATOM 0 HG1 THR A 21 -26.969 11.388 -49.165 1.00 0.00 H new ATOM 0 HG21 THR A 21 -25.470 13.229 -49.208 1.00 0.00 H new ATOM 0 HG22 THR A 21 -23.899 12.933 -49.990 1.00 0.00 H new ATOM 0 HG23 THR A 21 -25.401 12.812 -50.937 1.00 0.00 H new ATOM 85 N ALA A 22 -24.752 8.087 -49.660 1.00 0.00 N ATOM 86 CA ALA A 22 -24.400 6.805 -49.073 1.00 0.00 C ATOM 87 C ALA A 22 -23.825 7.031 -47.673 1.00 0.00 C ATOM 88 O ALA A 22 -23.893 8.138 -47.141 1.00 0.00 O ATOM 89 CB ALA A 22 -23.422 6.072 -49.993 1.00 0.00 C ATOM 0 H ALA A 22 -25.754 8.248 -49.765 1.00 0.00 H new ATOM 0 HA ALA A 22 -25.284 6.175 -48.970 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -23.159 5.111 -49.552 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -23.888 5.910 -50.965 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -22.521 6.673 -50.119 1.00 0.00 H new ATOM 95 N ALA A 23 -23.269 5.964 -47.117 1.00 0.00 N ATOM 96 CA ALA A 23 -22.681 6.033 -45.789 1.00 0.00 C ATOM 97 C ALA A 23 -21.385 5.222 -45.768 1.00 0.00 C ATOM 98 O ALA A 23 -20.330 5.741 -45.405 1.00 0.00 O ATOM 99 CB ALA A 23 -23.696 5.538 -44.757 1.00 0.00 C ATOM 0 H ALA A 23 -23.213 5.048 -47.561 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.430 7.062 -45.532 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -23.256 5.589 -43.761 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -24.587 6.165 -44.793 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -23.969 4.507 -44.981 1.00 0.00 H new ATOM 105 N ALA A 24 -21.505 3.963 -46.161 1.00 0.00 N ATOM 106 CA ALA A 24 -20.355 3.075 -46.192 1.00 0.00 C ATOM 107 C ALA A 24 -19.755 2.976 -44.787 1.00 0.00 C ATOM 108 O ALA A 24 -20.365 2.400 -43.888 1.00 0.00 O ATOM 109 CB ALA A 24 -19.345 3.584 -47.222 1.00 0.00 C ATOM 0 H ALA A 24 -22.381 3.536 -46.461 1.00 0.00 H new ATOM 0 HA ALA A 24 -20.653 2.071 -46.495 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.482 2.918 -47.245 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -19.811 3.609 -48.207 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -19.021 4.588 -46.948 1.00 0.00 H new ATOM 115 N LYS A 25 -18.567 3.546 -44.645 1.00 0.00 N ATOM 116 CA LYS A 25 -17.879 3.528 -43.365 1.00 0.00 C ATOM 117 C LYS A 25 -18.759 4.196 -42.307 1.00 0.00 C ATOM 118 O LYS A 25 -19.459 5.166 -42.600 1.00 0.00 O ATOM 119 CB LYS A 25 -16.491 4.157 -43.496 1.00 0.00 C ATOM 120 CG LYS A 25 -15.634 3.391 -44.505 1.00 0.00 C ATOM 121 CD LYS A 25 -14.578 2.541 -43.795 1.00 0.00 C ATOM 122 CE LYS A 25 -14.050 1.440 -44.715 1.00 0.00 C ATOM 123 NZ LYS A 25 -14.721 0.153 -44.423 1.00 0.00 N ATOM 0 H LYS A 25 -18.064 4.022 -45.394 1.00 0.00 H new ATOM 0 HA LYS A 25 -17.711 2.502 -43.037 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -16.587 5.196 -43.810 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.997 4.162 -42.524 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.270 2.751 -45.116 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.146 4.094 -45.181 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.753 3.176 -43.471 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.008 2.095 -42.898 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.218 1.716 -45.756 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.973 1.333 -44.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.350 -0.583 -45.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.539 -0.117 -43.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.745 0.254 -44.571 1.00 0.00 H new ATOM 133 N PHE A 26 -18.697 3.653 -41.102 1.00 0.00 N ATOM 134 CA PHE A 26 -19.480 4.184 -39.998 1.00 0.00 C ATOM 135 C PHE A 26 -18.743 5.332 -39.306 1.00 0.00 C ATOM 136 O PHE A 26 -17.694 5.773 -39.774 1.00 0.00 O ATOM 137 CB PHE A 26 -19.676 3.043 -38.999 1.00 0.00 C ATOM 138 CG PHE A 26 -20.593 1.925 -39.502 1.00 0.00 C ATOM 139 CD1 PHE A 26 -21.941 2.042 -39.375 1.00 0.00 C ATOM 140 CD2 PHE A 26 -20.057 0.814 -40.076 1.00 0.00 C ATOM 141 CE1 PHE A 26 -22.791 1.006 -39.841 1.00 0.00 C ATOM 142 CE2 PHE A 26 -20.907 -0.223 -40.544 1.00 0.00 C ATOM 143 CZ PHE A 26 -22.256 -0.105 -40.416 1.00 0.00 C ATOM 0 H PHE A 26 -18.116 2.849 -40.864 1.00 0.00 H new ATOM 0 HA PHE A 26 -20.431 4.569 -40.367 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -18.703 2.618 -38.753 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -20.089 3.449 -38.076 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -22.366 2.924 -38.919 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -18.986 0.721 -40.176 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -23.862 1.099 -39.739 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -20.483 -1.105 -41.001 1.00 0.00 H new ATOM 0 HZ PHE A 26 -22.903 -0.894 -40.771 1.00 0.00 H new ATOM 152 N GLU A 27 -19.321 5.782 -38.202 1.00 0.00 N ATOM 153 CA GLU A 27 -18.732 6.871 -37.440 1.00 0.00 C ATOM 154 C GLU A 27 -18.832 6.585 -35.941 1.00 0.00 C ATOM 155 O GLU A 27 -19.555 5.680 -35.525 1.00 0.00 O ATOM 156 CB GLU A 27 -19.394 8.206 -37.789 1.00 0.00 C ATOM 157 CG GLU A 27 -18.407 9.141 -38.490 1.00 0.00 C ATOM 158 CD GLU A 27 -17.962 10.268 -37.555 1.00 0.00 C ATOM 159 OE1 GLU A 27 -17.192 9.960 -36.620 1.00 0.00 O ATOM 160 OE2 GLU A 27 -18.402 11.413 -37.798 1.00 0.00 O ATOM 0 H GLU A 27 -20.190 5.413 -37.817 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.678 6.945 -37.706 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -20.255 8.031 -38.434 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -19.767 8.680 -36.881 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.537 8.575 -38.823 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.871 9.564 -39.381 1.00 0.00 H new ATOM 165 N ARG A 28 -18.099 7.373 -35.170 1.00 0.00 N ATOM 166 CA ARG A 28 -18.096 7.216 -33.725 1.00 0.00 C ATOM 167 C ARG A 28 -18.125 8.584 -33.041 1.00 0.00 C ATOM 168 O ARG A 28 -17.972 9.613 -33.699 1.00 0.00 O ATOM 169 CB ARG A 28 -16.860 6.446 -33.257 1.00 0.00 C ATOM 170 CG ARG A 28 -16.838 5.032 -33.844 1.00 0.00 C ATOM 171 CD ARG A 28 -15.786 4.166 -33.150 1.00 0.00 C ATOM 172 NE ARG A 28 -15.599 2.901 -33.896 1.00 0.00 N ATOM 173 CZ ARG A 28 -14.803 1.902 -33.492 1.00 0.00 C ATOM 174 NH1 ARG A 28 -14.115 2.013 -32.348 1.00 0.00 N ATOM 175 NH2 ARG A 28 -14.695 0.790 -34.233 1.00 0.00 N ATOM 0 H ARG A 28 -17.502 8.123 -35.518 1.00 0.00 H new ATOM 0 HA ARG A 28 -18.987 6.651 -33.452 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -15.959 6.982 -33.556 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -16.852 6.392 -32.168 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -17.821 4.574 -33.735 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -16.626 5.081 -34.912 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.841 4.706 -33.090 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.096 3.952 -32.127 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.108 2.783 -34.772 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.197 2.859 -31.784 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.509 1.252 -32.041 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.219 0.705 -35.104 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.089 0.029 -33.926 1.00 0.00 H new ATOM 186 N GLN A 29 -18.324 8.551 -31.732 1.00 0.00 N ATOM 187 CA GLN A 29 -18.375 9.777 -30.953 1.00 0.00 C ATOM 188 C GLN A 29 -16.980 10.397 -30.846 1.00 0.00 C ATOM 189 O GLN A 29 -16.665 11.351 -31.556 1.00 0.00 O ATOM 190 CB GLN A 29 -18.968 9.520 -29.566 1.00 0.00 C ATOM 191 CG GLN A 29 -20.178 10.421 -29.313 1.00 0.00 C ATOM 192 CD GLN A 29 -21.487 9.650 -29.502 1.00 0.00 C ATOM 193 OE1 GLN A 29 -21.634 8.841 -30.403 1.00 0.00 O ATOM 194 NE2 GLN A 29 -22.423 9.944 -28.606 1.00 0.00 N ATOM 0 H GLN A 29 -18.452 7.696 -31.191 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.027 10.484 -31.466 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -19.264 8.474 -29.481 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -18.210 9.700 -28.803 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -20.131 10.822 -28.301 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -20.151 11.271 -29.994 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -22.233 10.632 -27.877 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -23.331 9.482 -28.647 1.00 0.00 H new ATOM 201 N HIS A 30 -16.182 9.830 -29.953 1.00 0.00 N ATOM 202 CA HIS A 30 -14.829 10.315 -29.744 1.00 0.00 C ATOM 203 C HIS A 30 -14.863 11.579 -28.883 1.00 0.00 C ATOM 204 O HIS A 30 -15.935 12.115 -28.604 1.00 0.00 O ATOM 205 CB HIS A 30 -14.116 10.529 -31.081 1.00 0.00 C ATOM 206 CG HIS A 30 -13.993 11.978 -31.487 1.00 0.00 C ATOM 207 ND1 HIS A 30 -12.970 12.447 -32.292 1.00 0.00 N ATOM 208 CD2 HIS A 30 -14.775 13.055 -31.192 1.00 0.00 C ATOM 209 CE1 HIS A 30 -13.138 13.749 -32.467 1.00 0.00 C ATOM 210 NE2 HIS A 30 -14.257 14.125 -31.783 1.00 0.00 N ATOM 0 H HIS A 30 -16.447 9.039 -29.366 1.00 0.00 H new ATOM 0 HA HIS A 30 -14.250 9.565 -29.205 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.119 10.093 -31.023 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -14.655 9.989 -31.859 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.665 13.040 -30.581 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.501 14.399 -33.049 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -14.633 15.072 -31.734 1.00 0.00 H new ATOM 217 N MET A 31 -13.679 12.019 -28.486 1.00 0.00 N ATOM 218 CA MET A 31 -13.560 13.210 -27.661 1.00 0.00 C ATOM 219 C MET A 31 -14.397 13.079 -26.386 1.00 0.00 C ATOM 220 O MET A 31 -15.439 13.719 -26.256 1.00 0.00 O ATOM 221 CB MET A 31 -14.028 14.429 -28.457 1.00 0.00 C ATOM 222 CG MET A 31 -12.907 14.967 -29.348 1.00 0.00 C ATOM 223 SD MET A 31 -13.435 16.467 -30.157 1.00 0.00 S ATOM 224 CE MET A 31 -12.213 16.566 -31.455 1.00 0.00 C ATOM 0 H MET A 31 -12.792 11.572 -28.720 1.00 0.00 H new ATOM 0 HA MET A 31 -12.515 13.330 -27.376 1.00 0.00 H new ATOM 0 HB2 MET A 31 -14.887 14.159 -29.071 1.00 0.00 H new ATOM 0 HB3 MET A 31 -14.359 15.210 -27.772 1.00 0.00 H new ATOM 0 HG2 MET A 31 -12.017 15.161 -28.749 1.00 0.00 H new ATOM 0 HG3 MET A 31 -12.633 14.220 -30.093 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.651 17.494 -31.355 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.531 15.719 -31.378 1.00 0.00 H new ATOM 0 HE3 MET A 31 -12.710 16.545 -32.425 1.00 0.00 H new ATOM 232 N ASP A 32 -13.907 12.248 -25.479 1.00 0.00 N ATOM 233 CA ASP A 32 -14.597 12.025 -24.219 1.00 0.00 C ATOM 234 C ASP A 32 -13.665 12.391 -23.062 1.00 0.00 C ATOM 235 O ASP A 32 -12.576 11.832 -22.937 1.00 0.00 O ATOM 236 CB ASP A 32 -14.994 10.556 -24.060 1.00 0.00 C ATOM 237 CG ASP A 32 -14.026 9.553 -24.690 1.00 0.00 C ATOM 238 OD1 ASP A 32 -12.814 9.682 -24.411 1.00 0.00 O ATOM 239 OD2 ASP A 32 -14.520 8.679 -25.434 1.00 0.00 O ATOM 0 H ASP A 32 -13.041 11.721 -25.591 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.495 12.643 -24.212 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.084 10.333 -22.997 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.980 10.412 -24.501 1.00 0.00 H new ATOM 243 N SER A 33 -14.126 13.327 -22.246 1.00 0.00 N ATOM 244 CA SER A 33 -13.348 13.773 -21.102 1.00 0.00 C ATOM 245 C SER A 33 -14.193 13.690 -19.830 1.00 0.00 C ATOM 246 O SER A 33 -15.420 13.759 -19.888 1.00 0.00 O ATOM 247 CB SER A 33 -12.838 15.201 -21.308 1.00 0.00 C ATOM 248 OG SER A 33 -11.566 15.226 -21.951 1.00 0.00 O ATOM 0 H SER A 33 -15.029 13.789 -22.354 1.00 0.00 H new ATOM 0 HA SER A 33 -12.483 13.117 -20.999 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.558 15.760 -21.906 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.767 15.703 -20.343 1.00 0.00 H new ATOM 0 HG SER A 33 -11.276 16.155 -22.066 1.00 0.00 H new ATOM 253 N PRO A 34 -13.484 13.540 -18.679 1.00 0.00 N ATOM 254 CA PRO A 34 -14.155 13.447 -17.394 1.00 0.00 C ATOM 255 C PRO A 34 -14.667 14.816 -16.941 1.00 0.00 C ATOM 256 O PRO A 34 -14.787 15.735 -17.749 1.00 0.00 O ATOM 257 CB PRO A 34 -13.119 12.858 -16.450 1.00 0.00 C ATOM 258 CG PRO A 34 -11.773 13.077 -17.122 1.00 0.00 C ATOM 259 CD PRO A 34 -12.030 13.456 -18.571 1.00 0.00 C ATOM 0 HA PRO A 34 -15.045 12.818 -17.430 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.154 13.347 -15.477 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.303 11.797 -16.280 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.217 13.865 -16.614 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -11.167 12.173 -17.066 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.559 14.406 -18.821 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.625 12.709 -19.254 1.00 0.00 H new ATOM 264 N ASP A 35 -14.954 14.908 -15.650 1.00 0.00 N ATOM 265 CA ASP A 35 -15.449 16.149 -15.081 1.00 0.00 C ATOM 266 C ASP A 35 -14.367 16.764 -14.191 1.00 0.00 C ATOM 267 O ASP A 35 -13.597 16.045 -13.556 1.00 0.00 O ATOM 268 CB ASP A 35 -16.688 15.903 -14.217 1.00 0.00 C ATOM 269 CG ASP A 35 -17.204 17.131 -13.464 1.00 0.00 C ATOM 270 OD1 ASP A 35 -17.814 17.993 -14.133 1.00 0.00 O ATOM 271 OD2 ASP A 35 -16.978 17.179 -12.235 1.00 0.00 O ATOM 0 H ASP A 35 -14.853 14.143 -14.983 1.00 0.00 H new ATOM 0 HA ASP A 35 -15.709 16.817 -15.902 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.487 15.523 -14.854 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -16.458 15.121 -13.493 1.00 0.00 H new ATOM 275 N LEU A 36 -14.343 18.089 -14.173 1.00 0.00 N ATOM 276 CA LEU A 36 -13.368 18.809 -13.372 1.00 0.00 C ATOM 277 C LEU A 36 -13.268 18.158 -11.991 1.00 0.00 C ATOM 278 O LEU A 36 -12.312 17.437 -11.710 1.00 0.00 O ATOM 279 CB LEU A 36 -13.710 20.300 -13.325 1.00 0.00 C ATOM 280 CG LEU A 36 -13.267 21.128 -14.534 1.00 0.00 C ATOM 281 CD1 LEU A 36 -14.440 21.925 -15.110 1.00 0.00 C ATOM 282 CD2 LEU A 36 -12.083 22.028 -14.178 1.00 0.00 C ATOM 0 H LEU A 36 -14.983 18.682 -14.700 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.380 18.746 -13.827 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -14.790 20.402 -13.216 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.258 20.728 -12.431 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.928 20.444 -15.312 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.100 22.505 -15.968 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.226 21.239 -15.425 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.831 22.600 -14.348 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.788 22.605 -15.054 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.371 22.708 -13.376 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.245 21.414 -13.850 1.00 0.00 H new ATOM 293 N GLY A 37 -14.268 18.435 -11.167 1.00 0.00 N ATOM 294 CA GLY A 37 -14.304 17.884 -9.823 1.00 0.00 C ATOM 295 C GLY A 37 -13.880 18.932 -8.790 1.00 0.00 C ATOM 296 O GLY A 37 -12.697 19.058 -8.478 1.00 0.00 O ATOM 0 H GLY A 37 -15.059 19.034 -11.404 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -15.310 17.532 -9.597 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.643 17.020 -9.762 1.00 0.00 H new ATOM 300 N THR A 38 -14.871 19.654 -8.288 1.00 0.00 N ATOM 301 CA THR A 38 -14.616 20.687 -7.297 1.00 0.00 C ATOM 302 C THR A 38 -14.067 20.066 -6.011 1.00 0.00 C ATOM 303 O THR A 38 -13.603 20.779 -5.122 1.00 0.00 O ATOM 304 CB THR A 38 -15.912 21.472 -7.089 1.00 0.00 C ATOM 305 OG1 THR A 38 -16.760 20.563 -6.392 1.00 0.00 O ATOM 306 CG2 THR A 38 -16.652 21.741 -8.400 1.00 0.00 C ATOM 0 H THR A 38 -15.851 19.545 -8.548 1.00 0.00 H new ATOM 0 HA THR A 38 -13.850 21.383 -7.638 1.00 0.00 H new ATOM 0 HB THR A 38 -15.687 22.419 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 38 -17.623 20.992 -6.214 1.00 0.00 H new ATOM 0 HG21 THR A 38 -17.564 22.301 -8.195 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.013 22.320 -9.066 1.00 0.00 H new ATOM 0 HG23 THR A 38 -16.907 20.794 -8.875 1.00 0.00 H new ATOM 314 N THR A 39 -14.138 18.744 -5.952 1.00 0.00 N ATOM 315 CA THR A 39 -13.655 18.020 -4.789 1.00 0.00 C ATOM 316 C THR A 39 -13.341 16.569 -5.157 1.00 0.00 C ATOM 317 O THR A 39 -14.132 15.910 -5.832 1.00 0.00 O ATOM 318 CB THR A 39 -14.700 18.153 -3.680 1.00 0.00 C ATOM 319 OG1 THR A 39 -14.702 19.544 -3.370 1.00 0.00 O ATOM 320 CG2 THR A 39 -14.262 17.481 -2.378 1.00 0.00 C ATOM 0 H THR A 39 -14.523 18.156 -6.691 1.00 0.00 H new ATOM 0 HA THR A 39 -12.718 18.440 -4.423 1.00 0.00 H new ATOM 0 HB THR A 39 -15.641 17.716 -4.014 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.857 19.946 -3.663 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.040 17.605 -1.625 1.00 0.00 H new ATOM 0 HG22 THR A 39 -14.095 16.419 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.338 17.940 -2.025 1.00 0.00 H new ATOM 328 N LEU A 40 -12.184 16.113 -4.698 1.00 0.00 N ATOM 329 CA LEU A 40 -11.756 14.751 -4.971 1.00 0.00 C ATOM 330 C LEU A 40 -12.736 13.773 -4.320 1.00 0.00 C ATOM 331 O LEU A 40 -13.080 12.749 -4.909 1.00 0.00 O ATOM 332 CB LEU A 40 -10.304 14.548 -4.535 1.00 0.00 C ATOM 333 CG LEU A 40 -9.983 14.907 -3.082 1.00 0.00 C ATOM 334 CD1 LEU A 40 -8.999 13.906 -2.475 1.00 0.00 C ATOM 335 CD2 LEU A 40 -9.479 16.346 -2.970 1.00 0.00 C ATOM 0 H LEU A 40 -11.531 16.662 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.773 14.554 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.040 13.503 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.664 15.144 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.905 14.844 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.788 14.184 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.434 12.907 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.073 13.913 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.259 16.574 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.574 16.462 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.245 17.029 -3.337 1.00 0.00 H new ATOM 346 N LEU A 41 -13.156 14.122 -3.113 1.00 0.00 N ATOM 347 CA LEU A 41 -14.090 13.287 -2.375 1.00 0.00 C ATOM 348 C LEU A 41 -13.367 12.029 -1.890 1.00 0.00 C ATOM 349 O LEU A 41 -13.991 11.128 -1.330 1.00 0.00 O ATOM 350 CB LEU A 41 -15.331 12.996 -3.220 1.00 0.00 C ATOM 351 CG LEU A 41 -15.890 14.175 -4.019 1.00 0.00 C ATOM 352 CD1 LEU A 41 -16.299 13.737 -5.427 1.00 0.00 C ATOM 353 CD2 LEU A 41 -17.042 14.847 -3.270 1.00 0.00 C ATOM 0 H LEU A 41 -12.867 14.971 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 41 -14.452 13.809 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.092 12.192 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.116 12.625 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.101 14.919 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.693 14.593 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.430 13.340 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.066 12.965 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.421 15.682 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.842 14.124 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.685 15.215 -2.308 1.00 0.00 H new ATOM 364 N GLU A 42 -12.063 12.006 -2.121 1.00 0.00 N ATOM 365 CA GLU A 42 -11.249 10.874 -1.713 1.00 0.00 C ATOM 366 C GLU A 42 -10.329 11.269 -0.557 1.00 0.00 C ATOM 367 O GLU A 42 -9.441 10.508 -0.176 1.00 0.00 O ATOM 368 CB GLU A 42 -10.443 10.326 -2.893 1.00 0.00 C ATOM 369 CG GLU A 42 -11.351 10.037 -4.090 1.00 0.00 C ATOM 370 CD GLU A 42 -10.713 10.526 -5.392 1.00 0.00 C ATOM 371 OE1 GLU A 42 -9.622 10.009 -5.719 1.00 0.00 O ATOM 372 OE2 GLU A 42 -11.330 11.404 -6.031 1.00 0.00 O ATOM 0 H GLU A 42 -11.549 12.754 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.912 10.081 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.676 11.045 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.928 9.413 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.544 8.966 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.315 10.526 -3.947 1.00 0.00 H new ATOM 377 N GLN A 43 -10.573 12.461 -0.030 1.00 0.00 N ATOM 378 CA GLN A 43 -9.777 12.967 1.075 1.00 0.00 C ATOM 379 C GLN A 43 -8.310 12.568 0.899 1.00 0.00 C ATOM 380 O GLN A 43 -7.565 13.230 0.179 1.00 0.00 O ATOM 381 CB GLN A 43 -10.323 12.471 2.416 1.00 0.00 C ATOM 382 CG GLN A 43 -11.411 13.408 2.945 1.00 0.00 C ATOM 383 CD GLN A 43 -12.596 13.471 1.979 1.00 0.00 C ATOM 384 OE1 GLN A 43 -13.574 12.754 2.108 1.00 0.00 O ATOM 385 NE2 GLN A 43 -12.453 14.368 1.007 1.00 0.00 N ATOM 0 H GLN A 43 -11.310 13.090 -0.348 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.840 14.055 1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.729 11.466 2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.512 12.404 3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.751 13.062 3.921 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.999 14.407 3.086 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.607 14.936 0.958 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.189 14.488 0.311 1.00 0.00 H new ATOM 392 N TYR A 44 -7.939 11.487 1.571 1.00 0.00 N ATOM 393 CA TYR A 44 -6.574 10.993 1.498 1.00 0.00 C ATOM 394 C TYR A 44 -6.390 10.068 0.293 1.00 0.00 C ATOM 395 O TYR A 44 -5.532 10.312 -0.555 1.00 0.00 O ATOM 396 CB TYR A 44 -6.348 10.190 2.780 1.00 0.00 C ATOM 397 CG TYR A 44 -7.001 10.801 4.021 1.00 0.00 C ATOM 398 CD1 TYR A 44 -6.311 11.725 4.780 1.00 0.00 C ATOM 399 CD2 TYR A 44 -8.280 10.431 4.382 1.00 0.00 C ATOM 400 CE1 TYR A 44 -6.925 12.302 5.948 1.00 0.00 C ATOM 401 CE2 TYR A 44 -8.894 11.007 5.551 1.00 0.00 C ATOM 402 CZ TYR A 44 -8.187 11.914 6.276 1.00 0.00 C ATOM 403 OH TYR A 44 -8.767 12.458 7.378 1.00 0.00 O ATOM 0 H TYR A 44 -8.559 10.940 2.168 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.871 11.820 1.392 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.736 9.181 2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.276 10.098 2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.310 12.015 4.498 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.821 9.709 3.788 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.396 13.026 6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.894 10.724 5.845 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.668 12.089 7.489 1.00 0.00 H new ATOM 412 N CYS A 45 -7.210 9.028 0.255 1.00 0.00 N ATOM 413 CA CYS A 45 -7.147 8.066 -0.833 1.00 0.00 C ATOM 414 C CYS A 45 -8.220 7.002 -0.595 1.00 0.00 C ATOM 415 O CYS A 45 -8.135 6.233 0.362 1.00 0.00 O ATOM 416 CB CYS A 45 -5.753 7.451 -0.965 1.00 0.00 C ATOM 417 SG CYS A 45 -5.054 7.490 -2.656 1.00 0.00 S ATOM 0 H CYS A 45 -7.921 8.830 0.959 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.340 8.571 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.074 7.977 -0.294 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.795 6.415 -0.628 1.00 0.00 H new ATOM 421 N HIS A 46 -9.205 6.991 -1.482 1.00 0.00 N ATOM 422 CA HIS A 46 -10.293 6.034 -1.380 1.00 0.00 C ATOM 423 C HIS A 46 -11.020 5.939 -2.723 1.00 0.00 C ATOM 424 O HIS A 46 -11.105 6.921 -3.458 1.00 0.00 O ATOM 425 CB HIS A 46 -11.228 6.395 -0.224 1.00 0.00 C ATOM 426 CG HIS A 46 -11.728 5.203 0.557 1.00 0.00 C ATOM 427 ND1 HIS A 46 -12.580 5.321 1.640 1.00 0.00 N ATOM 428 CD2 HIS A 46 -11.487 3.870 0.399 1.00 0.00 C ATOM 429 CE1 HIS A 46 -12.834 4.106 2.107 1.00 0.00 C ATOM 430 NE2 HIS A 46 -12.155 3.209 1.337 1.00 0.00 N ATOM 0 H HIS A 46 -9.272 7.630 -2.274 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.893 5.046 -1.152 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -10.706 7.068 0.456 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.084 6.942 -0.620 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -10.859 3.427 -0.360 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -13.467 3.869 2.949 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -12.159 2.197 1.461 1.00 0.00 H new ATOM 437 N ARG A 47 -11.525 4.745 -3.003 1.00 0.00 N ATOM 438 CA ARG A 47 -12.242 4.510 -4.244 1.00 0.00 C ATOM 439 C ARG A 47 -13.663 5.067 -4.150 1.00 0.00 C ATOM 440 O ARG A 47 -13.995 6.047 -4.817 1.00 0.00 O ATOM 441 CB ARG A 47 -12.308 3.015 -4.566 1.00 0.00 C ATOM 442 CG ARG A 47 -10.952 2.344 -4.336 1.00 0.00 C ATOM 443 CD ARG A 47 -10.202 2.157 -5.657 1.00 0.00 C ATOM 444 NE ARG A 47 -9.957 0.718 -5.899 1.00 0.00 N ATOM 445 CZ ARG A 47 -10.833 -0.103 -6.495 1.00 0.00 C ATOM 446 NH1 ARG A 47 -12.016 0.368 -6.911 1.00 0.00 N ATOM 447 NH2 ARG A 47 -10.526 -1.395 -6.674 1.00 0.00 N ATOM 0 H ARG A 47 -11.451 3.932 -2.392 1.00 0.00 H new ATOM 0 HA ARG A 47 -11.701 5.019 -5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.064 2.538 -3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.615 2.876 -5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.353 2.950 -3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.098 1.376 -3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.783 2.579 -6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.255 2.696 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.066 0.326 -5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.250 1.351 -6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.683 -0.257 -7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.626 -1.754 -6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.193 -2.020 -7.128 1.00 0.00 H new ATOM 458 N THR A 48 -14.466 4.419 -3.319 1.00 0.00 N ATOM 459 CA THR A 48 -15.844 4.838 -3.129 1.00 0.00 C ATOM 460 C THR A 48 -16.636 3.752 -2.399 1.00 0.00 C ATOM 461 O THR A 48 -17.467 4.055 -1.544 1.00 0.00 O ATOM 462 CB THR A 48 -16.422 5.193 -4.501 1.00 0.00 C ATOM 463 OG1 THR A 48 -17.819 4.947 -4.362 1.00 0.00 O ATOM 464 CG2 THR A 48 -15.980 4.217 -5.593 1.00 0.00 C ATOM 0 H THR A 48 -14.188 3.606 -2.769 1.00 0.00 H new ATOM 0 HA THR A 48 -15.905 5.722 -2.495 1.00 0.00 H new ATOM 0 HB THR A 48 -16.118 6.204 -4.773 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.318 5.553 -4.948 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.418 4.514 -6.546 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.893 4.229 -5.674 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.314 3.211 -5.339 1.00 0.00 H new ATOM 472 N THR A 49 -16.350 2.511 -2.761 1.00 0.00 N ATOM 473 CA THR A 49 -17.025 1.378 -2.150 1.00 0.00 C ATOM 474 C THR A 49 -18.515 1.676 -1.976 1.00 0.00 C ATOM 475 O THR A 49 -19.013 1.737 -0.853 1.00 0.00 O ATOM 476 CB THR A 49 -16.312 1.056 -0.836 1.00 0.00 C ATOM 477 OG1 THR A 49 -15.981 2.333 -0.297 1.00 0.00 O ATOM 478 CG2 THR A 49 -14.956 0.382 -1.055 1.00 0.00 C ATOM 0 H THR A 49 -15.660 2.264 -3.470 1.00 0.00 H new ATOM 0 HA THR A 49 -16.975 0.496 -2.788 1.00 0.00 H new ATOM 0 HB THR A 49 -16.946 0.409 -0.230 1.00 0.00 H new ATOM 0 HG1 THR A 49 -16.793 2.877 -0.222 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.492 0.175 -0.090 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.098 -0.553 -1.597 1.00 0.00 H new ATOM 0 HG23 THR A 49 -14.310 1.043 -1.634 1.00 0.00 H new ATOM 486 N ILE A 50 -19.186 1.854 -3.104 1.00 0.00 N ATOM 487 CA ILE A 50 -20.610 2.145 -3.091 1.00 0.00 C ATOM 488 C ILE A 50 -21.356 0.989 -2.420 1.00 0.00 C ATOM 489 O ILE A 50 -21.014 -0.175 -2.624 1.00 0.00 O ATOM 490 CB ILE A 50 -21.106 2.459 -4.504 1.00 0.00 C ATOM 491 CG1 ILE A 50 -21.701 3.867 -4.574 1.00 0.00 C ATOM 492 CG2 ILE A 50 -22.093 1.395 -4.988 1.00 0.00 C ATOM 493 CD1 ILE A 50 -21.217 4.605 -5.825 1.00 0.00 C ATOM 0 H ILE A 50 -18.770 1.802 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 50 -20.811 3.040 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 50 -20.251 2.436 -5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.789 3.806 -4.582 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -21.419 4.429 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -22.430 1.642 -5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -21.603 0.422 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -22.951 1.362 -4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -21.654 5.603 -5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -20.130 4.686 -5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -21.521 4.052 -6.714 1.00 0.00 H new ATOM 504 N GLY A 51 -22.359 1.351 -1.635 1.00 0.00 N ATOM 505 CA GLY A 51 -23.155 0.358 -0.933 1.00 0.00 C ATOM 506 C GLY A 51 -22.307 -0.408 0.083 1.00 0.00 C ATOM 507 O GLY A 51 -22.019 0.101 1.165 1.00 0.00 O ATOM 0 H GLY A 51 -22.639 2.318 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -23.985 0.847 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -23.587 -0.340 -1.650 1.00 0.00 H new ATOM 511 N ASN A 52 -21.929 -1.618 -0.302 1.00 0.00 N ATOM 512 CA ASN A 52 -21.118 -2.459 0.563 1.00 0.00 C ATOM 513 C ASN A 52 -20.379 -3.494 -0.287 1.00 0.00 C ATOM 514 O ASN A 52 -20.110 -4.602 0.173 1.00 0.00 O ATOM 515 CB ASN A 52 -21.987 -3.210 1.573 1.00 0.00 C ATOM 516 CG ASN A 52 -21.166 -3.641 2.790 1.00 0.00 C ATOM 517 OD1 ASN A 52 -20.588 -4.715 2.832 1.00 0.00 O ATOM 518 ND2 ASN A 52 -21.146 -2.747 3.774 1.00 0.00 N ATOM 0 H ASN A 52 -22.169 -2.036 -1.201 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.417 -1.817 1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -22.811 -2.573 1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -22.427 -4.087 1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -20.625 -2.941 4.629 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -21.652 -1.867 3.674 1.00 0.00 H new ATOM 524 N PHE A 53 -20.071 -3.095 -1.513 1.00 0.00 N ATOM 525 CA PHE A 53 -19.368 -3.975 -2.432 1.00 0.00 C ATOM 526 C PHE A 53 -19.047 -3.255 -3.743 1.00 0.00 C ATOM 527 O PHE A 53 -19.330 -2.066 -3.888 1.00 0.00 O ATOM 528 CB PHE A 53 -20.300 -5.151 -2.725 1.00 0.00 C ATOM 529 CG PHE A 53 -21.621 -4.751 -3.387 1.00 0.00 C ATOM 530 CD1 PHE A 53 -22.585 -4.126 -2.658 1.00 0.00 C ATOM 531 CD2 PHE A 53 -21.830 -5.016 -4.705 1.00 0.00 C ATOM 532 CE1 PHE A 53 -23.809 -3.754 -3.271 1.00 0.00 C ATOM 533 CE2 PHE A 53 -23.054 -4.644 -5.318 1.00 0.00 C ATOM 534 CZ PHE A 53 -24.019 -4.021 -4.589 1.00 0.00 C ATOM 0 H PHE A 53 -20.295 -2.175 -1.891 1.00 0.00 H new ATOM 0 HA PHE A 53 -18.427 -4.302 -1.989 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -19.782 -5.859 -3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -20.516 -5.671 -1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.418 -3.913 -1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -21.064 -5.510 -5.285 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -24.574 -3.259 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.220 -4.855 -6.364 1.00 0.00 H new ATOM 0 HZ PHE A 53 -24.951 -3.738 -5.056 1.00 0.00 H new ATOM 543 N SER A 54 -18.460 -4.004 -4.664 1.00 0.00 N ATOM 544 CA SER A 54 -18.096 -3.451 -5.957 1.00 0.00 C ATOM 545 C SER A 54 -19.188 -2.497 -6.445 1.00 0.00 C ATOM 546 O SER A 54 -20.328 -2.908 -6.656 1.00 0.00 O ATOM 547 CB SER A 54 -17.865 -4.561 -6.985 1.00 0.00 C ATOM 548 OG SER A 54 -18.937 -5.501 -7.006 1.00 0.00 O ATOM 0 H SER A 54 -18.227 -4.989 -4.541 1.00 0.00 H new ATOM 0 HA SER A 54 -17.164 -2.898 -5.842 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.750 -4.120 -7.975 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.933 -5.079 -6.757 1.00 0.00 H new ATOM 0 HG SER A 54 -19.786 -5.032 -6.868 1.00 0.00 H new ATOM 553 N GLY A 55 -18.802 -1.240 -6.607 1.00 0.00 N ATOM 554 CA GLY A 55 -19.734 -0.224 -7.065 1.00 0.00 C ATOM 555 C GLY A 55 -20.217 -0.523 -8.486 1.00 0.00 C ATOM 556 O GLY A 55 -20.456 -1.679 -8.834 1.00 0.00 O ATOM 0 H GLY A 55 -17.856 -0.902 -6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.588 -0.178 -6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.253 0.754 -7.039 1.00 0.00 H new ATOM 560 N PRO A 56 -20.353 0.566 -9.288 1.00 0.00 N ATOM 561 CA PRO A 56 -20.804 0.432 -10.663 1.00 0.00 C ATOM 562 C PRO A 56 -19.693 -0.130 -11.553 1.00 0.00 C ATOM 563 O PRO A 56 -19.794 -1.252 -12.045 1.00 0.00 O ATOM 564 CB PRO A 56 -21.244 1.828 -11.071 1.00 0.00 C ATOM 565 CG PRO A 56 -20.593 2.777 -10.079 1.00 0.00 C ATOM 566 CD PRO A 56 -20.080 1.950 -8.911 1.00 0.00 C ATOM 0 HA PRO A 56 -21.626 -0.276 -10.769 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -20.931 2.054 -12.090 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -22.330 1.919 -11.043 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -19.774 3.320 -10.551 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -21.312 3.520 -9.734 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -19.015 2.113 -8.748 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -20.589 2.216 -7.984 1.00 0.00 H new ATOM 571 N TYR A 57 -18.657 0.677 -11.731 1.00 0.00 N ATOM 572 CA TYR A 57 -17.528 0.275 -12.553 1.00 0.00 C ATOM 573 C TYR A 57 -16.970 -1.074 -12.096 1.00 0.00 C ATOM 574 O TYR A 57 -17.585 -1.760 -11.281 1.00 0.00 O ATOM 575 CB TYR A 57 -16.458 1.350 -12.354 1.00 0.00 C ATOM 576 CG TYR A 57 -16.072 1.581 -10.891 1.00 0.00 C ATOM 577 CD1 TYR A 57 -15.431 0.587 -10.181 1.00 0.00 C ATOM 578 CD2 TYR A 57 -16.367 2.784 -10.282 1.00 0.00 C ATOM 579 CE1 TYR A 57 -15.069 0.804 -8.805 1.00 0.00 C ATOM 580 CE2 TYR A 57 -16.004 3.002 -8.905 1.00 0.00 C ATOM 581 CZ TYR A 57 -15.373 2.000 -8.234 1.00 0.00 C ATOM 582 OH TYR A 57 -15.030 2.205 -6.934 1.00 0.00 O ATOM 0 H TYR A 57 -18.576 1.607 -11.320 1.00 0.00 H new ATOM 0 HA TYR A 57 -17.829 0.173 -13.596 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -15.566 1.069 -12.914 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -16.817 2.288 -12.777 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.201 -0.354 -10.658 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -16.870 3.562 -10.838 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -14.567 0.034 -8.238 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.227 3.939 -8.416 1.00 0.00 H new ATOM 0 HH TYR A 57 -14.226 1.686 -6.722 1.00 0.00 H new ATOM 591 N THR A 58 -15.811 -1.414 -12.641 1.00 0.00 N ATOM 592 CA THR A 58 -15.164 -2.669 -12.299 1.00 0.00 C ATOM 593 C THR A 58 -13.648 -2.551 -12.471 1.00 0.00 C ATOM 594 O THR A 58 -12.987 -3.512 -12.864 1.00 0.00 O ATOM 595 CB THR A 58 -15.789 -3.772 -13.155 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.079 -3.966 -12.583 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.093 -5.122 -12.971 1.00 0.00 C ATOM 0 H THR A 58 -15.304 -0.842 -13.317 1.00 0.00 H new ATOM 0 HA THR A 58 -15.322 -2.923 -11.251 1.00 0.00 H new ATOM 0 HB THR A 58 -15.748 -3.483 -14.205 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.185 -3.376 -11.808 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.576 -5.869 -13.601 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.044 -5.032 -13.254 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.163 -5.428 -11.927 1.00 0.00 H new ATOM 605 N TYR A 59 -13.140 -1.365 -12.170 1.00 0.00 N ATOM 606 CA TYR A 59 -11.715 -1.109 -12.287 1.00 0.00 C ATOM 607 C TYR A 59 -11.147 -0.559 -10.978 1.00 0.00 C ATOM 608 O TYR A 59 -11.873 -0.415 -9.994 1.00 0.00 O ATOM 609 CB TYR A 59 -11.566 -0.047 -13.380 1.00 0.00 C ATOM 610 CG TYR A 59 -12.395 1.214 -13.138 1.00 0.00 C ATOM 611 CD1 TYR A 59 -12.131 2.017 -12.046 1.00 0.00 C ATOM 612 CD2 TYR A 59 -13.409 1.551 -14.012 1.00 0.00 C ATOM 613 CE1 TYR A 59 -12.911 3.205 -11.819 1.00 0.00 C ATOM 614 CE2 TYR A 59 -14.191 2.739 -13.784 1.00 0.00 C ATOM 615 CZ TYR A 59 -13.903 3.507 -12.699 1.00 0.00 C ATOM 616 OH TYR A 59 -14.641 4.630 -12.485 1.00 0.00 O ATOM 0 H TYR A 59 -13.691 -0.570 -11.845 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.178 -2.028 -12.520 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.515 0.231 -13.461 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.855 -0.482 -14.337 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.338 1.753 -11.362 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.616 0.924 -14.867 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.713 3.842 -10.970 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -14.988 3.014 -14.459 1.00 0.00 H new ATOM 0 HH TYR A 59 -15.332 4.445 -11.815 1.00 0.00 H new ATOM 625 N CYS A 60 -9.855 -0.268 -11.006 1.00 0.00 N ATOM 626 CA CYS A 60 -9.181 0.263 -9.832 1.00 0.00 C ATOM 627 C CYS A 60 -9.228 1.790 -9.901 1.00 0.00 C ATOM 628 O CYS A 60 -9.036 2.373 -10.967 1.00 0.00 O ATOM 629 CB CYS A 60 -7.748 -0.260 -9.718 1.00 0.00 C ATOM 630 SG CYS A 60 -7.435 -1.839 -10.588 1.00 0.00 S ATOM 0 H CYS A 60 -9.256 -0.390 -11.823 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.693 -0.075 -8.931 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.068 0.496 -10.111 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.506 -0.389 -8.663 1.00 0.00 H new ATOM 634 N ASN A 61 -9.486 2.395 -8.751 1.00 0.00 N ATOM 635 CA ASN A 61 -9.561 3.844 -8.667 1.00 0.00 C ATOM 636 C ASN A 61 -8.515 4.347 -7.671 1.00 0.00 C ATOM 637 O ASN A 61 -7.628 3.597 -7.264 1.00 0.00 O ATOM 638 CB ASN A 61 -10.938 4.297 -8.177 1.00 0.00 C ATOM 639 CG ASN A 61 -11.372 5.587 -8.874 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.746 6.565 -8.249 1.00 0.00 O ATOM 641 ND2 ASN A 61 -11.301 5.534 -10.201 1.00 0.00 N ATOM 0 H ASN A 61 -9.646 1.908 -7.869 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.382 4.250 -9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.671 3.513 -8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.911 4.454 -7.099 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.569 6.345 -10.759 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.979 4.683 -10.661 1.00 0.00 H new ATOM 647 N THR A 62 -8.653 5.613 -7.306 1.00 0.00 N ATOM 648 CA THR A 62 -7.731 6.226 -6.365 1.00 0.00 C ATOM 649 C THR A 62 -7.989 5.706 -4.950 1.00 0.00 C ATOM 650 O THR A 62 -9.121 5.737 -4.469 1.00 0.00 O ATOM 651 CB THR A 62 -7.869 7.745 -6.488 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.953 8.093 -7.522 1.00 0.00 O ATOM 653 CG2 THR A 62 -7.341 8.483 -5.257 1.00 0.00 C ATOM 0 H THR A 62 -9.390 6.231 -7.645 1.00 0.00 H new ATOM 0 HA THR A 62 -6.699 5.959 -6.593 1.00 0.00 H new ATOM 0 HB THR A 62 -8.917 8.003 -6.643 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.979 9.062 -7.669 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.463 9.557 -5.397 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.899 8.166 -4.376 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.284 8.253 -5.120 1.00 0.00 H new ATOM 661 N THR A 63 -6.920 5.238 -4.321 1.00 0.00 N ATOM 662 CA THR A 63 -7.016 4.712 -2.971 1.00 0.00 C ATOM 663 C THR A 63 -5.623 4.546 -2.362 1.00 0.00 C ATOM 664 O THR A 63 -4.617 4.753 -3.039 1.00 0.00 O ATOM 665 CB THR A 63 -7.814 3.408 -3.027 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.549 3.396 -1.807 1.00 0.00 O ATOM 667 CG2 THR A 63 -6.920 2.170 -2.935 1.00 0.00 C ATOM 0 H THR A 63 -5.983 5.213 -4.723 1.00 0.00 H new ATOM 0 HA THR A 63 -7.543 5.404 -2.314 1.00 0.00 H new ATOM 0 HB THR A 63 -8.387 3.374 -3.953 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.096 2.584 -1.762 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.536 1.272 -2.979 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.215 2.168 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.371 2.187 -1.994 1.00 0.00 H new ATOM 675 N LEU A 64 -5.608 4.172 -1.091 1.00 0.00 N ATOM 676 CA LEU A 64 -4.353 3.976 -0.384 1.00 0.00 C ATOM 677 C LEU A 64 -4.263 2.525 0.092 1.00 0.00 C ATOM 678 O LEU A 64 -5.182 2.021 0.735 1.00 0.00 O ATOM 679 CB LEU A 64 -4.206 5.002 0.742 1.00 0.00 C ATOM 680 CG LEU A 64 -5.365 5.076 1.738 1.00 0.00 C ATOM 681 CD1 LEU A 64 -5.096 4.192 2.957 1.00 0.00 C ATOM 682 CD2 LEU A 64 -5.657 6.525 2.135 1.00 0.00 C ATOM 0 H LEU A 64 -6.444 4.000 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.509 4.147 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.293 4.778 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.075 5.987 0.294 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.260 4.690 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.935 4.262 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.976 3.157 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.185 4.526 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.485 6.548 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.771 6.961 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.923 7.099 1.247 1.00 0.00 H new ATOM 693 N ASP A 65 -3.148 1.894 -0.243 1.00 0.00 N ATOM 694 CA ASP A 65 -2.925 0.510 0.143 1.00 0.00 C ATOM 695 C ASP A 65 -2.486 0.458 1.607 1.00 0.00 C ATOM 696 O ASP A 65 -2.359 1.493 2.259 1.00 0.00 O ATOM 697 CB ASP A 65 -1.823 -0.127 -0.706 1.00 0.00 C ATOM 698 CG ASP A 65 -1.823 -1.657 -0.723 1.00 0.00 C ATOM 699 OD1 ASP A 65 -2.937 -2.224 -0.701 1.00 0.00 O ATOM 700 OD2 ASP A 65 -0.710 -2.225 -0.759 1.00 0.00 O ATOM 0 H ASP A 65 -2.388 2.315 -0.778 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.856 -0.037 -0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.920 0.233 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.857 0.217 -0.338 1.00 0.00 H new ATOM 704 N GLN A 66 -2.264 -0.759 2.081 1.00 0.00 N ATOM 705 CA GLN A 66 -1.842 -0.961 3.457 1.00 0.00 C ATOM 706 C GLN A 66 -0.549 -0.190 3.733 1.00 0.00 C ATOM 707 O GLN A 66 -0.235 0.109 4.885 1.00 0.00 O ATOM 708 CB GLN A 66 -1.669 -2.450 3.765 1.00 0.00 C ATOM 709 CG GLN A 66 -1.894 -2.732 5.252 1.00 0.00 C ATOM 710 CD GLN A 66 -3.378 -2.960 5.548 1.00 0.00 C ATOM 711 OE1 GLN A 66 -4.204 -2.070 5.431 1.00 0.00 O ATOM 712 NE2 GLN A 66 -3.668 -4.198 5.938 1.00 0.00 N ATOM 0 H GLN A 66 -2.368 -1.615 1.537 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.620 -0.576 4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.373 -3.032 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.668 -2.770 3.478 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.321 -3.610 5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.526 -1.895 5.845 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.927 -4.895 6.015 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.631 -4.450 6.160 1.00 0.00 H new ATOM 719 N ILE A 67 0.165 0.109 2.658 1.00 0.00 N ATOM 720 CA ILE A 67 1.416 0.838 2.770 1.00 0.00 C ATOM 721 C ILE A 67 1.146 2.335 2.603 1.00 0.00 C ATOM 722 O ILE A 67 1.944 3.050 1.999 1.00 0.00 O ATOM 723 CB ILE A 67 2.449 0.286 1.786 1.00 0.00 C ATOM 724 CG1 ILE A 67 1.825 0.058 0.407 1.00 0.00 C ATOM 725 CG2 ILE A 67 3.107 -0.982 2.334 1.00 0.00 C ATOM 726 CD1 ILE A 67 2.840 0.328 -0.705 1.00 0.00 C ATOM 0 H ILE A 67 -0.099 -0.141 1.705 1.00 0.00 H new ATOM 0 HA ILE A 67 1.849 0.700 3.761 1.00 0.00 H new ATOM 0 HB ILE A 67 3.236 1.030 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.463 -0.967 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.961 0.711 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.837 -1.353 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.608 -0.754 3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.345 -1.743 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.371 0.159 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.182 1.361 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.691 -0.343 -0.591 1.00 0.00 H new ATOM 737 N GLY A 68 0.017 2.765 3.148 1.00 0.00 N ATOM 738 CA GLY A 68 -0.369 4.163 3.066 1.00 0.00 C ATOM 739 C GLY A 68 0.179 4.809 1.792 1.00 0.00 C ATOM 740 O GLY A 68 0.665 5.938 1.825 1.00 0.00 O ATOM 0 H GLY A 68 -0.643 2.169 3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.456 4.245 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.004 4.699 3.939 1.00 0.00 H new ATOM 744 N THR A 69 0.083 4.064 0.700 1.00 0.00 N ATOM 745 CA THR A 69 0.562 4.551 -0.582 1.00 0.00 C ATOM 746 C THR A 69 -0.615 4.898 -1.495 1.00 0.00 C ATOM 747 O THR A 69 -1.300 4.007 -1.997 1.00 0.00 O ATOM 748 CB THR A 69 1.496 3.491 -1.170 1.00 0.00 C ATOM 749 OG1 THR A 69 2.617 3.490 -0.290 1.00 0.00 O ATOM 750 CG2 THR A 69 2.083 3.911 -2.520 1.00 0.00 C ATOM 0 H THR A 69 -0.319 3.127 0.677 1.00 0.00 H new ATOM 0 HA THR A 69 1.127 5.476 -0.468 1.00 0.00 H new ATOM 0 HB THR A 69 0.953 2.553 -1.286 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.413 2.945 0.499 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.738 3.124 -2.893 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.275 4.078 -3.232 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.655 4.831 -2.398 1.00 0.00 H new ATOM 758 N CYS A 70 -0.815 6.194 -1.684 1.00 0.00 N ATOM 759 CA CYS A 70 -1.899 6.670 -2.527 1.00 0.00 C ATOM 760 C CYS A 70 -1.683 6.122 -3.939 1.00 0.00 C ATOM 761 O CYS A 70 -0.755 6.534 -4.634 1.00 0.00 O ATOM 762 CB CYS A 70 -1.996 8.196 -2.516 1.00 0.00 C ATOM 763 SG CYS A 70 -3.672 8.859 -2.829 1.00 0.00 S ATOM 0 H CYS A 70 -0.244 6.930 -1.268 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.851 6.309 -2.139 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.651 8.561 -1.549 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.316 8.595 -3.269 1.00 0.00 H new ATOM 767 N TRP A 71 -2.555 5.200 -4.322 1.00 0.00 N ATOM 768 CA TRP A 71 -2.472 4.592 -5.639 1.00 0.00 C ATOM 769 C TRP A 71 -3.531 5.245 -6.529 1.00 0.00 C ATOM 770 O TRP A 71 -4.704 5.302 -6.164 1.00 0.00 O ATOM 771 CB TRP A 71 -2.619 3.072 -5.552 1.00 0.00 C ATOM 772 CG TRP A 71 -1.513 2.386 -4.746 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.562 1.954 -3.479 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.184 2.066 -5.209 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.368 1.383 -3.091 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.497 1.453 -4.178 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.422 2.288 -6.457 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.821 1.011 -4.289 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.745 1.841 -6.553 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.446 1.222 -5.524 1.00 0.00 C ATOM 0 H TRP A 71 -3.322 4.860 -3.743 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.491 4.764 -6.082 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.583 2.835 -5.102 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.629 2.660 -6.561 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.429 2.042 -2.841 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.158 0.983 -2.176 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.092 2.766 -7.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.332 0.533 -3.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.257 1.987 -7.492 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.467 0.906 -5.677 1.00 0.00 H new ATOM 790 N PRO A 72 -3.067 5.733 -7.711 1.00 0.00 N ATOM 791 CA PRO A 72 -3.961 6.379 -8.657 1.00 0.00 C ATOM 792 C PRO A 72 -4.829 5.349 -9.383 1.00 0.00 C ATOM 793 O PRO A 72 -4.461 4.179 -9.479 1.00 0.00 O ATOM 794 CB PRO A 72 -3.050 7.155 -9.593 1.00 0.00 C ATOM 795 CG PRO A 72 -1.667 6.546 -9.429 1.00 0.00 C ATOM 796 CD PRO A 72 -1.685 5.682 -8.178 1.00 0.00 C ATOM 0 HA PRO A 72 -4.674 7.047 -8.173 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.392 7.076 -10.625 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.042 8.215 -9.340 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.407 5.948 -10.302 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.913 7.328 -9.342 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.379 4.659 -8.399 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.998 6.064 -7.423 1.00 0.00 H new ATOM 801 N GLN A 73 -5.965 5.822 -9.876 1.00 0.00 N ATOM 802 CA GLN A 73 -6.887 4.957 -10.591 1.00 0.00 C ATOM 803 C GLN A 73 -6.119 3.999 -11.502 1.00 0.00 C ATOM 804 O GLN A 73 -5.000 4.296 -11.919 1.00 0.00 O ATOM 805 CB GLN A 73 -7.903 5.777 -11.388 1.00 0.00 C ATOM 806 CG GLN A 73 -7.208 6.610 -12.468 1.00 0.00 C ATOM 807 CD GLN A 73 -6.665 7.917 -11.887 1.00 0.00 C ATOM 808 OE1 GLN A 73 -5.469 8.119 -11.758 1.00 0.00 O ATOM 809 NE2 GLN A 73 -7.609 8.789 -11.544 1.00 0.00 N ATOM 0 H GLN A 73 -6.267 6.793 -9.794 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.440 4.366 -9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.631 5.111 -11.850 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.454 6.434 -10.715 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.392 6.036 -12.906 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.911 6.829 -13.272 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.593 8.555 -11.679 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.349 9.691 -11.146 1.00 0.00 H new ATOM 816 N SER A 74 -6.749 2.869 -11.787 1.00 0.00 N ATOM 817 CA SER A 74 -6.138 1.865 -12.642 1.00 0.00 C ATOM 818 C SER A 74 -7.213 0.933 -13.205 1.00 0.00 C ATOM 819 O SER A 74 -8.372 1.000 -12.800 1.00 0.00 O ATOM 820 CB SER A 74 -5.084 1.060 -11.880 1.00 0.00 C ATOM 821 OG SER A 74 -4.417 1.848 -10.897 1.00 0.00 O ATOM 0 H SER A 74 -7.677 2.626 -11.441 1.00 0.00 H new ATOM 0 HA SER A 74 -5.640 2.375 -13.467 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.559 0.205 -11.398 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.352 0.663 -12.584 1.00 0.00 H new ATOM 0 HG SER A 74 -3.753 1.297 -10.432 1.00 0.00 H new ATOM 826 N ALA A 75 -6.790 0.085 -14.131 1.00 0.00 N ATOM 827 CA ALA A 75 -7.701 -0.859 -14.754 1.00 0.00 C ATOM 828 C ALA A 75 -7.569 -2.219 -14.066 1.00 0.00 C ATOM 829 O ALA A 75 -6.599 -2.465 -13.350 1.00 0.00 O ATOM 830 CB ALA A 75 -7.411 -0.935 -16.256 1.00 0.00 C ATOM 0 H ALA A 75 -5.828 0.032 -14.465 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.733 -0.529 -14.637 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.095 -1.644 -16.723 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.547 0.050 -16.703 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.384 -1.265 -16.412 1.00 0.00 H new ATOM 836 N PRO A 76 -8.586 -3.088 -14.312 1.00 0.00 N ATOM 837 CA PRO A 76 -8.592 -4.417 -13.724 1.00 0.00 C ATOM 838 C PRO A 76 -7.591 -5.334 -14.428 1.00 0.00 C ATOM 839 O PRO A 76 -7.371 -5.210 -15.632 1.00 0.00 O ATOM 840 CB PRO A 76 -10.029 -4.896 -13.852 1.00 0.00 C ATOM 841 CG PRO A 76 -10.668 -4.020 -14.917 1.00 0.00 C ATOM 842 CD PRO A 76 -9.751 -2.832 -15.154 1.00 0.00 C ATOM 0 HA PRO A 76 -8.277 -4.417 -12.681 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.066 -5.947 -14.137 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.557 -4.805 -12.903 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.810 -4.583 -15.840 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.653 -3.683 -14.594 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.470 -2.752 -16.204 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.238 -1.896 -14.882 1.00 0.00 H new ATOM 847 N GLY A 77 -7.011 -6.234 -13.648 1.00 0.00 N ATOM 848 CA GLY A 77 -6.037 -7.171 -14.182 1.00 0.00 C ATOM 849 C GLY A 77 -4.810 -6.437 -14.726 1.00 0.00 C ATOM 850 O GLY A 77 -4.127 -6.938 -15.619 1.00 0.00 O ATOM 0 H GLY A 77 -7.197 -6.334 -12.650 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.732 -7.868 -13.401 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.493 -7.762 -14.976 1.00 0.00 H new ATOM 854 N ALA A 78 -4.567 -5.261 -14.167 1.00 0.00 N ATOM 855 CA ALA A 78 -3.434 -4.453 -14.585 1.00 0.00 C ATOM 856 C ALA A 78 -2.203 -4.845 -13.766 1.00 0.00 C ATOM 857 O ALA A 78 -2.078 -5.991 -13.337 1.00 0.00 O ATOM 858 CB ALA A 78 -3.783 -2.970 -14.440 1.00 0.00 C ATOM 0 H ALA A 78 -5.136 -4.848 -13.428 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.202 -4.632 -15.635 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.933 -2.364 -14.754 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.645 -2.736 -15.064 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.020 -2.752 -13.399 1.00 0.00 H new ATOM 864 N LEU A 79 -1.326 -3.870 -13.572 1.00 0.00 N ATOM 865 CA LEU A 79 -0.109 -4.100 -12.811 1.00 0.00 C ATOM 866 C LEU A 79 0.440 -2.759 -12.321 1.00 0.00 C ATOM 867 O LEU A 79 0.899 -1.943 -13.120 1.00 0.00 O ATOM 868 CB LEU A 79 0.892 -4.912 -13.635 1.00 0.00 C ATOM 869 CG LEU A 79 1.387 -6.212 -12.997 1.00 0.00 C ATOM 870 CD1 LEU A 79 0.979 -7.424 -13.836 1.00 0.00 C ATOM 871 CD2 LEU A 79 2.897 -6.165 -12.756 1.00 0.00 C ATOM 0 H LEU A 79 -1.434 -2.920 -13.928 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.319 -4.701 -11.926 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.433 -5.153 -14.594 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.756 -4.281 -13.845 1.00 0.00 H new ATOM 0 HG LEU A 79 0.909 -6.318 -12.023 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.343 -8.335 -13.361 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.108 -7.464 -13.913 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.410 -7.338 -14.833 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.222 -7.101 -12.302 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.413 -6.024 -13.706 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.133 -5.337 -12.088 1.00 0.00 H new ATOM 882 N VAL A 80 0.377 -2.572 -11.011 1.00 0.00 N ATOM 883 CA VAL A 80 0.863 -1.344 -10.406 1.00 0.00 C ATOM 884 C VAL A 80 2.230 -1.601 -9.767 1.00 0.00 C ATOM 885 O VAL A 80 2.449 -1.263 -8.604 1.00 0.00 O ATOM 886 CB VAL A 80 -0.169 -0.805 -9.413 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.383 0.400 -8.648 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.478 -0.453 -10.121 1.00 0.00 C ATOM 0 H VAL A 80 -0.003 -3.251 -10.352 1.00 0.00 H new ATOM 0 HA VAL A 80 0.998 -0.573 -11.164 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.381 -1.592 -8.689 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.370 0.764 -7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.276 0.104 -8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.637 1.192 -9.352 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.194 -0.072 -9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.289 0.309 -10.877 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.885 -1.345 -10.598 1.00 0.00 H new ATOM 898 N GLU A 81 3.113 -2.198 -10.554 1.00 0.00 N ATOM 899 CA GLU A 81 4.451 -2.505 -10.080 1.00 0.00 C ATOM 900 C GLU A 81 5.360 -1.283 -10.226 1.00 0.00 C ATOM 901 O GLU A 81 5.284 -0.564 -11.222 1.00 0.00 O ATOM 902 CB GLU A 81 5.032 -3.712 -10.820 1.00 0.00 C ATOM 903 CG GLU A 81 5.229 -3.401 -12.305 1.00 0.00 C ATOM 904 CD GLU A 81 6.713 -3.235 -12.638 1.00 0.00 C ATOM 905 OE1 GLU A 81 7.346 -2.372 -11.993 1.00 0.00 O ATOM 906 OE2 GLU A 81 7.181 -3.974 -13.531 1.00 0.00 O ATOM 0 H GLU A 81 2.927 -2.477 -11.517 1.00 0.00 H new ATOM 0 HA GLU A 81 4.390 -2.763 -9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.986 -3.992 -10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.365 -4.567 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.805 -4.204 -12.908 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.690 -2.490 -12.564 1.00 0.00 H new ATOM 911 N ARG A 82 6.198 -1.084 -9.220 1.00 0.00 N ATOM 912 CA ARG A 82 7.120 0.039 -9.223 1.00 0.00 C ATOM 913 C ARG A 82 8.109 -0.082 -8.063 1.00 0.00 C ATOM 914 O ARG A 82 7.860 0.433 -6.973 1.00 0.00 O ATOM 915 CB ARG A 82 6.370 1.368 -9.109 1.00 0.00 C ATOM 916 CG ARG A 82 5.291 1.297 -8.026 1.00 0.00 C ATOM 917 CD ARG A 82 4.619 2.658 -7.831 1.00 0.00 C ATOM 918 NE ARG A 82 3.731 2.953 -8.977 1.00 0.00 N ATOM 919 CZ ARG A 82 3.329 4.184 -9.318 1.00 0.00 C ATOM 920 NH1 ARG A 82 3.733 5.244 -8.603 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.522 4.358 -10.374 1.00 0.00 N ATOM 0 H ARG A 82 6.258 -1.682 -8.396 1.00 0.00 H new ATOM 0 HA ARG A 82 7.661 0.020 -10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.073 2.168 -8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.913 1.615 -10.067 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.543 0.554 -8.302 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.735 0.969 -7.086 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.044 2.659 -6.905 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.376 3.436 -7.737 1.00 0.00 H new ATOM 0 HE ARG A 82 3.405 2.170 -9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.347 5.113 -7.799 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.427 6.181 -8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.214 3.552 -10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.216 5.296 -10.633 1.00 0.00 H new ATOM 932 N PRO A 83 9.240 -0.783 -8.343 1.00 0.00 N ATOM 933 CA PRO A 83 10.269 -0.978 -7.334 1.00 0.00 C ATOM 934 C PRO A 83 11.075 0.304 -7.118 1.00 0.00 C ATOM 935 O PRO A 83 10.667 1.379 -7.555 1.00 0.00 O ATOM 936 CB PRO A 83 11.113 -2.130 -7.852 1.00 0.00 C ATOM 937 CG PRO A 83 10.813 -2.232 -9.338 1.00 0.00 C ATOM 938 CD PRO A 83 9.570 -1.406 -9.621 1.00 0.00 C ATOM 0 HA PRO A 83 9.857 -1.213 -6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.173 -1.946 -7.680 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.863 -3.059 -7.339 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.656 -1.865 -9.924 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.654 -3.272 -9.625 1.00 0.00 H new ATOM 0 HD2 PRO A 83 9.759 -0.657 -10.390 1.00 0.00 H new ATOM 0 HD3 PRO A 83 8.752 -2.031 -9.980 1.00 0.00 H new ATOM 943 N CYS A 84 12.205 0.148 -6.444 1.00 0.00 N ATOM 944 CA CYS A 84 13.072 1.280 -6.165 1.00 0.00 C ATOM 945 C CYS A 84 13.062 2.205 -7.384 1.00 0.00 C ATOM 946 O CYS A 84 12.687 3.373 -7.279 1.00 0.00 O ATOM 947 CB CYS A 84 14.488 0.831 -5.802 1.00 0.00 C ATOM 948 SG CYS A 84 14.924 1.021 -4.035 1.00 0.00 S ATOM 0 H CYS A 84 12.540 -0.745 -6.083 1.00 0.00 H new ATOM 0 HA CYS A 84 12.699 1.822 -5.296 1.00 0.00 H new ATOM 0 HB2 CYS A 84 14.604 -0.217 -6.080 1.00 0.00 H new ATOM 0 HB3 CYS A 84 15.199 1.400 -6.400 1.00 0.00 H new ATOM 952 N PRO A 85 13.488 1.635 -8.543 1.00 0.00 N ATOM 953 CA PRO A 85 13.531 2.396 -9.780 1.00 0.00 C ATOM 954 C PRO A 85 12.126 2.591 -10.353 1.00 0.00 C ATOM 955 O PRO A 85 11.183 1.916 -9.940 1.00 0.00 O ATOM 956 CB PRO A 85 14.442 1.599 -10.700 1.00 0.00 C ATOM 957 CG PRO A 85 14.502 0.197 -10.115 1.00 0.00 C ATOM 958 CD PRO A 85 13.938 0.256 -8.705 1.00 0.00 C ATOM 0 HA PRO A 85 13.914 3.407 -9.639 1.00 0.00 H new ATOM 0 HB2 PRO A 85 14.051 1.581 -11.717 1.00 0.00 H new ATOM 0 HB3 PRO A 85 15.435 2.045 -10.748 1.00 0.00 H new ATOM 0 HG2 PRO A 85 13.927 -0.497 -10.728 1.00 0.00 H new ATOM 0 HG3 PRO A 85 15.529 -0.167 -10.100 1.00 0.00 H new ATOM 0 HD2 PRO A 85 13.114 -0.447 -8.578 1.00 0.00 H new ATOM 0 HD3 PRO A 85 14.695 -0.003 -7.965 1.00 0.00 H new ATOM 963 N GLU A 86 12.029 3.518 -11.295 1.00 0.00 N ATOM 964 CA GLU A 86 10.754 3.811 -11.928 1.00 0.00 C ATOM 965 C GLU A 86 10.972 4.618 -13.209 1.00 0.00 C ATOM 966 O GLU A 86 10.517 5.756 -13.315 1.00 0.00 O ATOM 967 CB GLU A 86 9.821 4.549 -10.966 1.00 0.00 C ATOM 968 CG GLU A 86 8.600 3.694 -10.622 1.00 0.00 C ATOM 969 CD GLU A 86 7.504 3.853 -11.678 1.00 0.00 C ATOM 970 OE1 GLU A 86 6.747 4.841 -11.566 1.00 0.00 O ATOM 971 OE2 GLU A 86 7.448 2.983 -12.574 1.00 0.00 O ATOM 0 H GLU A 86 12.812 4.076 -11.635 1.00 0.00 H new ATOM 0 HA GLU A 86 10.276 2.868 -12.193 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.360 4.803 -10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.497 5.487 -11.416 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.893 2.647 -10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.213 3.983 -9.645 1.00 0.00 H new ATOM 976 N TYR A 87 11.668 3.997 -14.151 1.00 0.00 N ATOM 977 CA TYR A 87 11.951 4.643 -15.421 1.00 0.00 C ATOM 978 C TYR A 87 12.796 3.739 -16.320 1.00 0.00 C ATOM 979 O TYR A 87 12.493 3.573 -17.500 1.00 0.00 O ATOM 980 CB TYR A 87 12.754 5.902 -15.084 1.00 0.00 C ATOM 981 CG TYR A 87 13.273 6.655 -16.310 1.00 0.00 C ATOM 982 CD1 TYR A 87 12.391 7.319 -17.137 1.00 0.00 C ATOM 983 CD2 TYR A 87 14.625 6.670 -16.589 1.00 0.00 C ATOM 984 CE1 TYR A 87 12.881 8.028 -18.291 1.00 0.00 C ATOM 985 CE2 TYR A 87 15.115 7.378 -17.742 1.00 0.00 C ATOM 986 CZ TYR A 87 14.218 8.022 -18.537 1.00 0.00 C ATOM 987 OH TYR A 87 14.680 8.692 -19.627 1.00 0.00 O ATOM 0 H TYR A 87 12.044 3.053 -14.059 1.00 0.00 H new ATOM 0 HA TYR A 87 11.026 4.867 -15.952 1.00 0.00 H new ATOM 0 HB2 TYR A 87 12.128 6.573 -14.496 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.600 5.624 -14.456 1.00 0.00 H new ATOM 0 HD1 TYR A 87 11.333 7.307 -16.919 1.00 0.00 H new ATOM 0 HD2 TYR A 87 15.315 6.150 -15.941 1.00 0.00 H new ATOM 0 HE1 TYR A 87 12.201 8.553 -18.946 1.00 0.00 H new ATOM 0 HE2 TYR A 87 16.170 7.398 -17.971 1.00 0.00 H new ATOM 0 HH TYR A 87 15.655 8.603 -19.677 1.00 0.00 H new ATOM 996 N PHE A 88 13.841 3.179 -15.727 1.00 0.00 N ATOM 997 CA PHE A 88 14.732 2.295 -16.460 1.00 0.00 C ATOM 998 C PHE A 88 14.896 0.958 -15.736 1.00 0.00 C ATOM 999 O PHE A 88 14.794 -0.102 -16.351 1.00 0.00 O ATOM 1000 CB PHE A 88 16.092 2.992 -16.533 1.00 0.00 C ATOM 1001 CG PHE A 88 16.698 3.317 -15.166 1.00 0.00 C ATOM 1002 CD1 PHE A 88 16.078 4.202 -14.340 1.00 0.00 C ATOM 1003 CD2 PHE A 88 17.858 2.723 -14.777 1.00 0.00 C ATOM 1004 CE1 PHE A 88 16.640 4.504 -13.072 1.00 0.00 C ATOM 1005 CE2 PHE A 88 18.420 3.025 -13.509 1.00 0.00 C ATOM 1006 CZ PHE A 88 17.800 3.909 -12.683 1.00 0.00 C ATOM 0 H PHE A 88 14.090 3.320 -14.748 1.00 0.00 H new ATOM 0 HA PHE A 88 14.324 2.093 -17.450 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.785 2.357 -17.085 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.985 3.916 -17.101 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.158 4.675 -14.649 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.352 2.021 -15.433 1.00 0.00 H new ATOM 0 HE1 PHE A 88 16.147 5.206 -12.416 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.341 2.552 -13.200 1.00 0.00 H new ATOM 0 HZ PHE A 88 18.228 4.139 -11.718 1.00 0.00 H new ATOM 1015 N ASN A 89 15.146 1.050 -14.438 1.00 0.00 N ATOM 1016 CA ASN A 89 15.325 -0.139 -13.623 1.00 0.00 C ATOM 1017 C ASN A 89 16.793 -0.567 -13.666 1.00 0.00 C ATOM 1018 O ASN A 89 17.284 -1.208 -12.740 1.00 0.00 O ATOM 1019 CB ASN A 89 14.478 -1.300 -14.150 1.00 0.00 C ATOM 1020 CG ASN A 89 13.978 -2.178 -13.002 1.00 0.00 C ATOM 1021 OD1 ASN A 89 12.884 -2.716 -13.030 1.00 0.00 O ATOM 1022 ND2 ASN A 89 14.837 -2.293 -11.993 1.00 0.00 N ATOM 0 H ASN A 89 15.229 1.931 -13.930 1.00 0.00 H new ATOM 0 HA ASN A 89 15.016 0.101 -12.605 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.629 -0.910 -14.711 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.068 -1.901 -14.842 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.595 -2.858 -11.179 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.738 -1.816 -12.033 1.00 0.00 H new ATOM 1028 N GLY A 90 17.453 -0.192 -14.754 1.00 0.00 N ATOM 1029 CA GLY A 90 18.856 -0.528 -14.930 1.00 0.00 C ATOM 1030 C GLY A 90 19.616 -0.423 -13.606 1.00 0.00 C ATOM 1031 O GLY A 90 20.624 -1.100 -13.410 1.00 0.00 O ATOM 0 H GLY A 90 17.042 0.340 -15.521 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.944 -1.540 -15.325 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.304 0.141 -15.665 1.00 0.00 H new ATOM 1035 N ILE A 91 19.103 0.431 -12.733 1.00 0.00 N ATOM 1036 CA ILE A 91 19.721 0.634 -11.434 1.00 0.00 C ATOM 1037 C ILE A 91 18.633 0.902 -10.392 1.00 0.00 C ATOM 1038 O ILE A 91 17.640 0.178 -10.326 1.00 0.00 O ATOM 1039 CB ILE A 91 20.782 1.734 -11.511 1.00 0.00 C ATOM 1040 CG1 ILE A 91 21.562 1.653 -12.825 1.00 0.00 C ATOM 1041 CG2 ILE A 91 21.707 1.689 -10.293 1.00 0.00 C ATOM 1042 CD1 ILE A 91 22.561 0.495 -12.801 1.00 0.00 C ATOM 0 H ILE A 91 18.266 0.990 -12.900 1.00 0.00 H new ATOM 0 HA ILE A 91 20.250 -0.266 -11.120 1.00 0.00 H new ATOM 0 HB ILE A 91 20.275 2.699 -11.496 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.869 1.522 -13.656 1.00 0.00 H new ATOM 0 HG13 ILE A 91 22.091 2.591 -12.996 1.00 0.00 H new ATOM 0 HG21 ILE A 91 22.452 2.481 -10.372 1.00 0.00 H new ATOM 0 HG22 ILE A 91 21.121 1.832 -9.385 1.00 0.00 H new ATOM 0 HG23 ILE A 91 22.208 0.722 -10.252 1.00 0.00 H new ATOM 0 HD11 ILE A 91 23.101 0.461 -13.747 1.00 0.00 H new ATOM 0 HD12 ILE A 91 23.268 0.641 -11.984 1.00 0.00 H new ATOM 0 HD13 ILE A 91 22.027 -0.444 -12.654 1.00 0.00 H new ATOM 1053 N LYS A 92 18.857 1.943 -9.605 1.00 0.00 N ATOM 1054 CA LYS A 92 17.907 2.315 -8.569 1.00 0.00 C ATOM 1055 C LYS A 92 17.525 3.787 -8.738 1.00 0.00 C ATOM 1056 O LYS A 92 18.064 4.476 -9.603 1.00 0.00 O ATOM 1057 CB LYS A 92 18.466 1.981 -7.185 1.00 0.00 C ATOM 1058 CG LYS A 92 17.944 0.628 -6.696 1.00 0.00 C ATOM 1059 CD LYS A 92 17.833 0.601 -5.170 1.00 0.00 C ATOM 1060 CE LYS A 92 19.183 0.276 -4.528 1.00 0.00 C ATOM 1061 NZ LYS A 92 19.800 1.500 -3.970 1.00 0.00 N ATOM 0 H LYS A 92 19.681 2.541 -9.663 1.00 0.00 H new ATOM 0 HA LYS A 92 16.990 1.734 -8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 92 19.555 1.963 -7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 92 18.185 2.761 -6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.968 0.429 -7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.613 -0.166 -7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 92 17.478 1.567 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.095 -0.142 -4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.048 -0.463 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 92 19.847 -0.168 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 20.716 1.261 -3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 19.947 2.193 -4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 19.172 1.907 -3.248 1.00 0.00 H new ATOM 1071 N TYR A 93 16.598 4.226 -7.899 1.00 0.00 N ATOM 1072 CA TYR A 93 16.139 5.603 -7.945 1.00 0.00 C ATOM 1073 C TYR A 93 16.477 6.338 -6.646 1.00 0.00 C ATOM 1074 O TYR A 93 17.180 5.803 -5.791 1.00 0.00 O ATOM 1075 CB TYR A 93 14.618 5.535 -8.096 1.00 0.00 C ATOM 1076 CG TYR A 93 14.091 6.177 -9.381 1.00 0.00 C ATOM 1077 CD1 TYR A 93 14.858 6.152 -10.529 1.00 0.00 C ATOM 1078 CD2 TYR A 93 12.850 6.781 -9.393 1.00 0.00 C ATOM 1079 CE1 TYR A 93 14.361 6.757 -11.739 1.00 0.00 C ATOM 1080 CE2 TYR A 93 12.354 7.384 -10.603 1.00 0.00 C ATOM 1081 CZ TYR A 93 13.134 7.343 -11.716 1.00 0.00 C ATOM 1082 OH TYR A 93 12.666 7.913 -12.858 1.00 0.00 O ATOM 0 H TYR A 93 16.153 3.652 -7.183 1.00 0.00 H new ATOM 0 HA TYR A 93 16.618 6.140 -8.764 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.307 4.491 -8.070 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.156 6.027 -7.240 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.829 5.680 -10.520 1.00 0.00 H new ATOM 0 HD2 TYR A 93 12.251 6.801 -8.495 1.00 0.00 H new ATOM 0 HE1 TYR A 93 14.950 6.745 -12.644 1.00 0.00 H new ATOM 0 HE2 TYR A 93 11.384 7.858 -10.626 1.00 0.00 H new ATOM 0 HH TYR A 93 11.777 8.292 -12.694 1.00 0.00 H new ATOM 1091 N ASN A 94 15.962 7.554 -6.540 1.00 0.00 N ATOM 1092 CA ASN A 94 16.201 8.368 -5.360 1.00 0.00 C ATOM 1093 C ASN A 94 14.982 8.292 -4.438 1.00 0.00 C ATOM 1094 O ASN A 94 15.063 8.654 -3.266 1.00 0.00 O ATOM 1095 CB ASN A 94 16.417 9.834 -5.738 1.00 0.00 C ATOM 1096 CG ASN A 94 17.770 10.029 -6.425 1.00 0.00 C ATOM 1097 OD1 ASN A 94 18.484 10.990 -6.186 1.00 0.00 O ATOM 1098 ND2 ASN A 94 18.081 9.068 -7.289 1.00 0.00 N ATOM 0 H ASN A 94 15.380 7.995 -7.252 1.00 0.00 H new ATOM 0 HA ASN A 94 17.094 7.988 -4.863 1.00 0.00 H new ATOM 0 HB2 ASN A 94 15.617 10.164 -6.401 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.366 10.455 -4.844 1.00 0.00 H new ATOM 0 HD21 ASN A 94 18.963 9.107 -7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.437 8.291 -7.441 1.00 0.00 H new ATOM 1104 N THR A 95 13.881 7.819 -5.003 1.00 0.00 N ATOM 1105 CA THR A 95 12.647 7.690 -4.247 1.00 0.00 C ATOM 1106 C THR A 95 12.569 6.314 -3.583 1.00 0.00 C ATOM 1107 O THR A 95 13.292 5.395 -3.965 1.00 0.00 O ATOM 1108 CB THR A 95 11.480 7.975 -5.193 1.00 0.00 C ATOM 1109 OG1 THR A 95 11.656 9.341 -5.561 1.00 0.00 O ATOM 1110 CG2 THR A 95 10.127 7.954 -4.479 1.00 0.00 C ATOM 0 H THR A 95 13.818 7.520 -5.976 1.00 0.00 H new ATOM 0 HA THR A 95 12.606 8.412 -3.432 1.00 0.00 H new ATOM 0 HB THR A 95 11.478 7.239 -5.997 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.942 9.609 -6.176 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.334 8.162 -5.197 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.965 6.972 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.117 8.713 -3.697 1.00 0.00 H new ATOM 1118 N THR A 96 11.686 6.215 -2.600 1.00 0.00 N ATOM 1119 CA THR A 96 11.504 4.967 -1.880 1.00 0.00 C ATOM 1120 C THR A 96 10.034 4.544 -1.909 1.00 0.00 C ATOM 1121 O THR A 96 9.350 4.594 -0.887 1.00 0.00 O ATOM 1122 CB THR A 96 12.056 5.152 -0.466 1.00 0.00 C ATOM 1123 OG1 THR A 96 13.467 5.046 -0.627 1.00 0.00 O ATOM 1124 CG2 THR A 96 11.698 3.988 0.461 1.00 0.00 C ATOM 0 H THR A 96 11.089 6.980 -2.285 1.00 0.00 H new ATOM 0 HA THR A 96 12.053 4.153 -2.354 1.00 0.00 H new ATOM 0 HB THR A 96 11.671 6.081 -0.046 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.905 5.156 0.243 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.114 4.170 1.452 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.614 3.901 0.533 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.110 3.063 0.059 1.00 0.00 H new ATOM 1132 N ARG A 97 9.591 4.137 -3.089 1.00 0.00 N ATOM 1133 CA ARG A 97 8.213 3.707 -3.264 1.00 0.00 C ATOM 1134 C ARG A 97 8.160 2.427 -4.101 1.00 0.00 C ATOM 1135 O ARG A 97 7.474 2.377 -5.121 1.00 0.00 O ATOM 1136 CB ARG A 97 7.380 4.791 -3.949 1.00 0.00 C ATOM 1137 CG ARG A 97 6.738 5.721 -2.917 1.00 0.00 C ATOM 1138 CD ARG A 97 7.518 7.032 -2.800 1.00 0.00 C ATOM 1139 NE ARG A 97 7.057 7.791 -1.616 1.00 0.00 N ATOM 1140 CZ ARG A 97 7.271 9.101 -1.434 1.00 0.00 C ATOM 1141 NH1 ARG A 97 7.939 9.806 -2.357 1.00 0.00 N ATOM 1142 NH2 ARG A 97 6.816 9.707 -0.328 1.00 0.00 N ATOM 0 H ARG A 97 10.161 4.096 -3.934 1.00 0.00 H new ATOM 0 HA ARG A 97 7.796 3.517 -2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.012 5.370 -4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.605 4.328 -4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.707 5.931 -3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.705 5.226 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.585 6.824 -2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.380 7.629 -3.701 1.00 0.00 H new ATOM 0 HE ARG A 97 6.544 7.285 -0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.285 9.345 -3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.102 10.803 -2.218 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.307 9.171 0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.979 10.704 -0.189 1.00 0.00 H new ATOM 1153 N ASN A 98 8.894 1.425 -3.640 1.00 0.00 N ATOM 1154 CA ASN A 98 8.939 0.149 -4.333 1.00 0.00 C ATOM 1155 C ASN A 98 7.537 -0.463 -4.359 1.00 0.00 C ATOM 1156 O ASN A 98 6.702 -0.145 -3.512 1.00 0.00 O ATOM 1157 CB ASN A 98 9.871 -0.833 -3.621 1.00 0.00 C ATOM 1158 CG ASN A 98 9.651 -0.797 -2.107 1.00 0.00 C ATOM 1159 OD1 ASN A 98 8.718 -1.376 -1.575 1.00 0.00 O ATOM 1160 ND2 ASN A 98 10.560 -0.086 -1.446 1.00 0.00 N ATOM 0 H ASN A 98 9.463 1.471 -2.794 1.00 0.00 H new ATOM 0 HA ASN A 98 9.308 0.328 -5.343 1.00 0.00 H new ATOM 0 HB2 ASN A 98 9.696 -1.842 -3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 98 10.908 -0.585 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.501 -0.000 -0.431 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.316 0.374 -1.954 1.00 0.00 H new ATOM 1166 N ALA A 99 7.321 -1.329 -5.338 1.00 0.00 N ATOM 1167 CA ALA A 99 6.034 -1.989 -5.483 1.00 0.00 C ATOM 1168 C ALA A 99 6.143 -3.079 -6.550 1.00 0.00 C ATOM 1169 O ALA A 99 7.143 -3.158 -7.263 1.00 0.00 O ATOM 1170 CB ALA A 99 4.963 -0.949 -5.820 1.00 0.00 C ATOM 0 H ALA A 99 8.015 -1.589 -6.039 1.00 0.00 H new ATOM 0 HA ALA A 99 5.741 -2.469 -4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.998 -1.443 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.906 -0.213 -5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.222 -0.449 -6.753 1.00 0.00 H new ATOM 1176 N TYR A 100 5.101 -3.894 -6.627 1.00 0.00 N ATOM 1177 CA TYR A 100 5.067 -4.976 -7.595 1.00 0.00 C ATOM 1178 C TYR A 100 3.861 -5.888 -7.356 1.00 0.00 C ATOM 1179 O TYR A 100 4.010 -7.104 -7.245 1.00 0.00 O ATOM 1180 CB TYR A 100 6.350 -5.781 -7.374 1.00 0.00 C ATOM 1181 CG TYR A 100 7.155 -6.032 -8.652 1.00 0.00 C ATOM 1182 CD1 TYR A 100 6.699 -6.941 -9.585 1.00 0.00 C ATOM 1183 CD2 TYR A 100 8.334 -5.351 -8.870 1.00 0.00 C ATOM 1184 CE1 TYR A 100 7.456 -7.178 -10.787 1.00 0.00 C ATOM 1185 CE2 TYR A 100 9.091 -5.588 -10.072 1.00 0.00 C ATOM 1186 CZ TYR A 100 8.614 -6.490 -10.971 1.00 0.00 C ATOM 1187 OH TYR A 100 9.330 -6.714 -12.107 1.00 0.00 O ATOM 0 H TYR A 100 4.274 -3.826 -6.034 1.00 0.00 H new ATOM 0 HA TYR A 100 4.990 -4.581 -8.608 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.980 -5.253 -6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 100 6.092 -6.740 -6.925 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.775 -7.474 -9.414 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.690 -4.640 -8.139 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.111 -7.886 -11.526 1.00 0.00 H new ATOM 0 HE2 TYR A 100 10.016 -5.062 -10.255 1.00 0.00 H new ATOM 0 HH TYR A 100 10.133 -6.152 -12.104 1.00 0.00 H new ATOM 1196 N ARG A 101 2.694 -5.265 -7.285 1.00 0.00 N ATOM 1197 CA ARG A 101 1.464 -6.004 -7.061 1.00 0.00 C ATOM 1198 C ARG A 101 0.699 -6.172 -8.375 1.00 0.00 C ATOM 1199 O ARG A 101 1.257 -5.969 -9.453 1.00 0.00 O ATOM 1200 CB ARG A 101 0.569 -5.291 -6.045 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.009 -4.003 -6.634 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.515 -3.909 -6.377 1.00 0.00 C ATOM 1203 NE ARG A 101 -1.770 -3.149 -5.133 1.00 0.00 N ATOM 1204 CZ ARG A 101 -1.386 -1.880 -4.938 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -0.728 -1.222 -5.902 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -1.661 -1.269 -3.778 1.00 0.00 N ATOM 0 H ARG A 101 2.575 -4.256 -7.379 1.00 0.00 H new ATOM 0 HA ARG A 101 1.734 -6.983 -6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.242 -5.953 -5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.143 -5.059 -5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.493 -3.141 -6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.183 -3.971 -7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.006 -3.420 -7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.941 -4.909 -6.296 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.268 -3.620 -4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.519 -1.687 -6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.436 -0.256 -5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.162 -1.770 -3.044 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.369 -0.303 -3.629 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.567 -6.541 -8.243 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.414 -6.738 -9.408 1.00 0.00 C ATOM 1219 C GLU A 102 -2.877 -6.469 -9.051 1.00 0.00 C ATOM 1220 O GLU A 102 -3.336 -6.844 -7.973 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.239 -8.147 -9.981 1.00 0.00 C ATOM 1222 CG GLU A 102 -0.852 -9.140 -8.884 1.00 0.00 C ATOM 1223 CD GLU A 102 -0.528 -10.513 -9.478 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -1.315 -10.959 -10.340 1.00 0.00 O ATOM 1225 OE2 GLU A 102 0.500 -11.086 -9.056 1.00 0.00 O ATOM 0 H GLU A 102 -1.027 -6.709 -7.348 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.112 -6.028 -10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.166 -8.468 -10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.471 -8.136 -10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.012 -8.764 -8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.668 -9.233 -8.168 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.569 -5.822 -9.977 1.00 0.00 N ATOM 1231 CA CYS A 103 -4.971 -5.498 -9.775 1.00 0.00 C ATOM 1232 C CYS A 103 -5.812 -6.678 -10.264 1.00 0.00 C ATOM 1233 O CYS A 103 -5.521 -7.262 -11.306 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.357 -4.192 -10.472 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.206 -2.973 -9.403 1.00 0.00 S ATOM 0 H CYS A 103 -3.185 -5.513 -10.870 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.160 -5.335 -8.714 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.455 -3.733 -10.878 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.004 -4.425 -11.318 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.840 -6.993 -9.490 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.727 -8.092 -9.833 1.00 0.00 C ATOM 1241 C LEU A 104 -8.526 -7.726 -11.084 1.00 0.00 C ATOM 1242 O LEU A 104 -8.700 -6.547 -11.391 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.599 -8.471 -8.634 1.00 0.00 C ATOM 1244 CG LEU A 104 -8.244 -9.785 -7.935 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.563 -10.985 -8.828 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -6.784 -9.784 -7.476 1.00 0.00 C ATOM 0 H LEU A 104 -7.079 -6.506 -8.626 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.151 -8.986 -10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.544 -7.666 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.635 -8.528 -8.967 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.863 -9.875 -7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.301 -11.906 -8.307 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.627 -10.991 -9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.988 -10.914 -9.751 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.557 -10.729 -6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.131 -9.660 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.622 -8.962 -6.778 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.994 -8.757 -11.773 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.771 -8.558 -12.983 1.00 0.00 C ATOM 1259 C GLU A 105 -11.202 -8.145 -12.633 1.00 0.00 C ATOM 1260 O GLU A 105 -12.033 -7.958 -13.522 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.761 -9.816 -13.855 1.00 0.00 C ATOM 1262 CG GLU A 105 -8.944 -9.594 -15.129 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.046 -10.802 -16.063 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -8.573 -11.882 -15.647 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -9.593 -10.617 -17.171 1.00 0.00 O ATOM 0 H GLU A 105 -8.849 -9.733 -11.515 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.312 -7.754 -13.558 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.343 -10.650 -13.291 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.783 -10.089 -14.117 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.300 -8.701 -15.643 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.900 -9.417 -14.870 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.446 -8.015 -11.338 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.762 -7.627 -10.860 1.00 0.00 C ATOM 1272 C ASN A 106 -12.756 -6.137 -10.513 1.00 0.00 C ATOM 1273 O ASN A 106 -13.766 -5.596 -10.065 1.00 0.00 O ATOM 1274 CB ASN A 106 -13.140 -8.405 -9.596 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.564 -8.957 -9.698 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.490 -8.478 -9.065 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.686 -9.989 -10.528 1.00 0.00 N ATOM 0 H ASN A 106 -10.755 -8.171 -10.604 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.484 -7.844 -11.647 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.438 -9.225 -9.446 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.060 -7.753 -8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.596 -10.428 -10.665 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.869 -10.341 -11.028 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.607 -5.516 -10.734 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.456 -4.099 -10.451 1.00 0.00 C ATOM 1285 C GLY A 107 -11.174 -3.863 -8.966 1.00 0.00 C ATOM 1286 O GLY A 107 -11.645 -2.885 -8.388 1.00 0.00 O ATOM 0 H GLY A 107 -10.772 -5.968 -11.106 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.642 -3.690 -11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.362 -3.568 -10.741 1.00 0.00 H new ATOM 1290 N THR A 108 -10.406 -4.776 -8.391 1.00 0.00 N ATOM 1291 CA THR A 108 -10.055 -4.681 -6.984 1.00 0.00 C ATOM 1292 C THR A 108 -8.541 -4.806 -6.802 1.00 0.00 C ATOM 1293 O THR A 108 -7.897 -5.614 -7.468 1.00 0.00 O ATOM 1294 CB THR A 108 -10.848 -5.746 -6.225 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.474 -6.969 -6.851 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.354 -5.644 -6.476 1.00 0.00 C ATOM 0 H THR A 108 -10.017 -5.586 -8.874 1.00 0.00 H new ATOM 0 HA THR A 108 -10.320 -3.706 -6.576 1.00 0.00 H new ATOM 0 HB THR A 108 -10.651 -5.653 -5.157 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.942 -7.714 -6.419 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.870 -6.422 -5.914 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.711 -4.666 -6.153 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.555 -5.771 -7.540 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.017 -3.993 -5.896 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.591 -4.003 -5.618 1.00 0.00 C ATOM 1306 C TRP A 109 -6.198 -5.424 -5.210 1.00 0.00 C ATOM 1307 O TRP A 109 -7.002 -6.348 -5.317 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.231 -2.957 -4.561 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.001 -1.554 -5.126 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.742 -0.455 -4.935 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.921 -1.142 -5.990 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.222 0.630 -5.608 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.079 0.200 -6.271 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.845 -1.879 -6.518 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.198 0.922 -7.087 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -2.975 -1.143 -7.331 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.120 0.208 -7.622 1.00 0.00 C ATOM 0 H TRP A 109 -8.554 -3.323 -5.345 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.024 -3.727 -6.507 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.030 -2.913 -3.821 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.330 -3.279 -4.038 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.636 -0.423 -4.329 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.606 1.575 -5.618 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.702 -2.929 -6.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.343 1.972 -7.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.132 -1.662 -7.762 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.403 0.705 -8.259 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.962 -5.554 -4.752 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.452 -6.847 -4.327 1.00 0.00 C ATOM 1329 C ALA A 110 -4.523 -6.943 -2.802 1.00 0.00 C ATOM 1330 O ALA A 110 -5.042 -6.043 -2.144 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.030 -7.036 -4.859 1.00 0.00 C ATOM 0 H ALA A 110 -4.298 -4.785 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.062 -7.653 -4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.648 -8.006 -4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.040 -6.990 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.388 -6.247 -4.469 1.00 0.00 H new ATOM 1337 N SER A 111 -3.992 -8.041 -2.285 1.00 0.00 N ATOM 1338 CA SER A 111 -3.987 -8.265 -0.849 1.00 0.00 C ATOM 1339 C SER A 111 -2.771 -7.585 -0.217 1.00 0.00 C ATOM 1340 O SER A 111 -2.915 -6.772 0.694 1.00 0.00 O ATOM 1341 CB SER A 111 -3.987 -9.760 -0.525 1.00 0.00 C ATOM 1342 OG SER A 111 -5.027 -10.110 0.383 1.00 0.00 O ATOM 0 H SER A 111 -3.562 -8.785 -2.834 1.00 0.00 H new ATOM 0 HA SER A 111 -4.895 -7.830 -0.432 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.103 -10.330 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.024 -10.038 -0.097 1.00 0.00 H new ATOM 0 HG SER A 111 -4.994 -11.073 0.563 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.602 -7.944 -0.726 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.362 -7.378 -0.222 1.00 0.00 C ATOM 1349 C ARG A 112 0.669 -7.274 -1.348 1.00 0.00 C ATOM 1350 O ARG A 112 1.012 -8.275 -1.976 1.00 0.00 O ATOM 1351 CB ARG A 112 0.214 -8.232 0.909 1.00 0.00 C ATOM 1352 CG ARG A 112 0.745 -7.353 2.043 1.00 0.00 C ATOM 1353 CD ARG A 112 2.082 -7.882 2.566 1.00 0.00 C ATOM 1354 NE ARG A 112 2.281 -7.458 3.970 1.00 0.00 N ATOM 1355 CZ ARG A 112 3.473 -7.413 4.581 1.00 0.00 C ATOM 1356 NH1 ARG A 112 4.580 -7.767 3.914 1.00 0.00 N ATOM 1357 NH2 ARG A 112 3.557 -7.015 5.857 1.00 0.00 N ATOM 0 H ARG A 112 -1.487 -8.619 -1.482 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.585 -6.384 0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.556 -8.901 1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.018 -8.859 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.868 -6.330 1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.019 -7.323 2.855 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.103 -8.970 2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.897 -7.509 1.946 1.00 0.00 H new ATOM 0 HE ARG A 112 1.459 -7.182 4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.515 -8.070 2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.488 -7.733 4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 112 2.714 -6.746 6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 112 4.464 -6.981 6.322 1.00 0.00 H new ATOM 1368 N VAL A 113 1.137 -6.054 -1.569 1.00 0.00 N ATOM 1369 CA VAL A 113 2.122 -5.806 -2.607 1.00 0.00 C ATOM 1370 C VAL A 113 3.488 -6.311 -2.139 1.00 0.00 C ATOM 1371 O VAL A 113 3.711 -6.490 -0.943 1.00 0.00 O ATOM 1372 CB VAL A 113 2.128 -4.322 -2.979 1.00 0.00 C ATOM 1373 CG1 VAL A 113 3.021 -4.065 -4.195 1.00 0.00 C ATOM 1374 CG2 VAL A 113 0.707 -3.813 -3.226 1.00 0.00 C ATOM 0 H VAL A 113 0.852 -5.226 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 113 1.867 -6.353 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 113 2.541 -3.767 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.007 -3.003 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.042 -4.372 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.651 -4.637 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.740 -2.756 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.256 -4.376 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.111 -3.944 -2.323 1.00 0.00 H new ATOM 1384 N ASN A 114 4.368 -6.525 -3.107 1.00 0.00 N ATOM 1385 CA ASN A 114 5.706 -7.006 -2.809 1.00 0.00 C ATOM 1386 C ASN A 114 6.734 -6.025 -3.376 1.00 0.00 C ATOM 1387 O ASN A 114 6.440 -5.286 -4.315 1.00 0.00 O ATOM 1388 CB ASN A 114 5.955 -8.374 -3.448 1.00 0.00 C ATOM 1389 CG ASN A 114 4.662 -8.952 -4.025 1.00 0.00 C ATOM 1390 OD1 ASN A 114 4.105 -9.916 -3.525 1.00 0.00 O ATOM 1391 ND2 ASN A 114 4.218 -8.314 -5.103 1.00 0.00 N ATOM 0 H ASN A 114 4.180 -6.374 -4.098 1.00 0.00 H new ATOM 0 HA ASN A 114 5.800 -7.091 -1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.700 -8.280 -4.238 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.363 -9.058 -2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.362 -8.625 -5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.733 -7.514 -5.470 1.00 0.00 H new ATOM 1397 N TYR A 115 7.918 -6.049 -2.783 1.00 0.00 N ATOM 1398 CA TYR A 115 8.991 -5.170 -3.217 1.00 0.00 C ATOM 1399 C TYR A 115 10.298 -5.503 -2.497 1.00 0.00 C ATOM 1400 O TYR A 115 10.590 -4.944 -1.441 1.00 0.00 O ATOM 1401 CB TYR A 115 8.558 -3.754 -2.834 1.00 0.00 C ATOM 1402 CG TYR A 115 7.560 -3.700 -1.675 1.00 0.00 C ATOM 1403 CD1 TYR A 115 8.015 -3.693 -0.372 1.00 0.00 C ATOM 1404 CD2 TYR A 115 6.205 -3.660 -1.933 1.00 0.00 C ATOM 1405 CE1 TYR A 115 7.075 -3.643 0.718 1.00 0.00 C ATOM 1406 CE2 TYR A 115 5.265 -3.610 -0.843 1.00 0.00 C ATOM 1407 CZ TYR A 115 5.747 -3.604 0.429 1.00 0.00 C ATOM 1408 OH TYR A 115 4.860 -3.557 1.459 1.00 0.00 O ATOM 0 H TYR A 115 8.158 -6.663 -2.005 1.00 0.00 H new ATOM 0 HA TYR A 115 9.166 -5.278 -4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 115 9.442 -3.175 -2.566 1.00 0.00 H new ATOM 0 HB3 TYR A 115 8.114 -3.273 -3.705 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.075 -3.725 -0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.849 -3.666 -2.953 1.00 0.00 H new ATOM 0 HE1 TYR A 115 7.417 -3.637 1.742 1.00 0.00 H new ATOM 0 HE2 TYR A 115 4.202 -3.578 -1.031 1.00 0.00 H new ATOM 0 HH TYR A 115 3.947 -3.532 1.104 1.00 0.00 H new ATOM 1417 N SER A 116 11.052 -6.414 -3.096 1.00 0.00 N ATOM 1418 CA SER A 116 12.321 -6.829 -2.525 1.00 0.00 C ATOM 1419 C SER A 116 13.452 -6.575 -3.523 1.00 0.00 C ATOM 1420 O SER A 116 14.610 -6.890 -3.248 1.00 0.00 O ATOM 1421 CB SER A 116 12.289 -8.305 -2.123 1.00 0.00 C ATOM 1422 OG SER A 116 12.238 -8.473 -0.709 1.00 0.00 O ATOM 0 H SER A 116 10.807 -6.876 -3.972 1.00 0.00 H new ATOM 0 HA SER A 116 12.500 -6.240 -1.625 1.00 0.00 H new ATOM 0 HB2 SER A 116 11.422 -8.785 -2.576 1.00 0.00 H new ATOM 0 HB3 SER A 116 13.173 -8.807 -2.516 1.00 0.00 H new ATOM 0 HG SER A 116 12.217 -9.429 -0.494 1.00 0.00 H new ATOM 1427 N HIS A 117 13.078 -6.010 -4.661 1.00 0.00 N ATOM 1428 CA HIS A 117 14.047 -5.711 -5.702 1.00 0.00 C ATOM 1429 C HIS A 117 14.632 -4.317 -5.472 1.00 0.00 C ATOM 1430 O HIS A 117 15.260 -3.748 -6.365 1.00 0.00 O ATOM 1431 CB HIS A 117 13.420 -5.869 -7.089 1.00 0.00 C ATOM 1432 CG HIS A 117 12.932 -7.267 -7.385 1.00 0.00 C ATOM 1433 ND1 HIS A 117 12.464 -8.122 -6.404 1.00 0.00 N ATOM 1434 CD2 HIS A 117 12.844 -7.949 -8.564 1.00 0.00 C ATOM 1435 CE1 HIS A 117 12.113 -9.264 -6.976 1.00 0.00 C ATOM 1436 NE2 HIS A 117 12.350 -9.155 -8.315 1.00 0.00 N ATOM 0 H HIS A 117 12.117 -5.751 -4.885 1.00 0.00 H new ATOM 0 HA HIS A 117 14.869 -6.425 -5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 117 12.584 -5.176 -7.180 1.00 0.00 H new ATOM 0 HB3 HIS A 117 14.154 -5.584 -7.843 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.128 -7.571 -9.535 1.00 0.00 H new ATOM 0 HE1 HIS A 117 11.710 -10.129 -6.471 1.00 0.00 H new ATOM 0 HE2 HIS A 117 12.176 -9.881 -9.010 1.00 0.00 H new ATOM 1443 N CYS A 118 14.408 -3.806 -4.271 1.00 0.00 N ATOM 1444 CA CYS A 118 14.905 -2.488 -3.913 1.00 0.00 C ATOM 1445 C CYS A 118 16.368 -2.627 -3.487 1.00 0.00 C ATOM 1446 O CYS A 118 17.273 -2.246 -4.229 1.00 0.00 O ATOM 1447 CB CYS A 118 14.053 -1.839 -2.820 1.00 0.00 C ATOM 1448 SG CYS A 118 13.416 -0.174 -3.231 1.00 0.00 S ATOM 0 H CYS A 118 13.889 -4.281 -3.533 1.00 0.00 H new ATOM 0 HA CYS A 118 14.839 -1.825 -4.776 1.00 0.00 H new ATOM 0 HB2 CYS A 118 13.208 -2.492 -2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 118 14.647 -1.771 -1.909 1.00 0.00 H new ATOM 1452 N GLU A 119 16.555 -3.173 -2.295 1.00 0.00 N ATOM 1453 CA GLU A 119 17.893 -3.366 -1.762 1.00 0.00 C ATOM 1454 C GLU A 119 18.803 -3.982 -2.825 1.00 0.00 C ATOM 1455 O GLU A 119 19.852 -3.426 -3.148 1.00 0.00 O ATOM 1456 CB GLU A 119 17.861 -4.230 -0.500 1.00 0.00 C ATOM 1457 CG GLU A 119 18.407 -3.461 0.705 1.00 0.00 C ATOM 1458 CD GLU A 119 17.268 -2.951 1.591 1.00 0.00 C ATOM 1459 OE1 GLU A 119 16.430 -2.193 1.057 1.00 0.00 O ATOM 1460 OE2 GLU A 119 17.263 -3.330 2.782 1.00 0.00 O ATOM 0 H GLU A 119 15.802 -3.488 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 119 18.297 -2.392 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.838 -4.549 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.451 -5.133 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 119 19.064 -4.108 1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 119 19.010 -2.620 0.362 1.00 0.00 H new ATOM 1465 N PRO A 120 18.360 -5.154 -3.354 1.00 0.00 N ATOM 1466 CA PRO A 120 19.123 -5.852 -4.374 1.00 0.00 C ATOM 1467 C PRO A 120 18.995 -5.154 -5.729 1.00 0.00 C ATOM 1468 O PRO A 120 17.887 -4.866 -6.182 1.00 0.00 O ATOM 1469 CB PRO A 120 18.567 -7.268 -4.382 1.00 0.00 C ATOM 1470 CG PRO A 120 17.211 -7.186 -3.700 1.00 0.00 C ATOM 1471 CD PRO A 120 17.123 -5.842 -2.995 1.00 0.00 C ATOM 0 HA PRO A 120 20.193 -5.859 -4.167 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.470 -7.644 -5.401 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.230 -7.951 -3.852 1.00 0.00 H new ATOM 0 HG2 PRO A 120 16.409 -7.286 -4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.094 -8.000 -2.985 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.248 -5.280 -3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.038 -5.966 -1.915 1.00 0.00 H new ATOM 1476 N ILE A 121 20.144 -4.900 -6.338 1.00 0.00 N ATOM 1477 CA ILE A 121 20.174 -4.239 -7.633 1.00 0.00 C ATOM 1478 C ILE A 121 20.569 -5.253 -8.708 1.00 0.00 C ATOM 1479 O ILE A 121 21.357 -6.162 -8.450 1.00 0.00 O ATOM 1480 CB ILE A 121 21.082 -3.008 -7.585 1.00 0.00 C ATOM 1481 CG1 ILE A 121 20.721 -2.018 -8.693 1.00 0.00 C ATOM 1482 CG2 ILE A 121 22.556 -3.412 -7.634 1.00 0.00 C ATOM 1483 CD1 ILE A 121 20.741 -0.579 -8.172 1.00 0.00 C ATOM 0 H ILE A 121 21.060 -5.139 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 121 19.184 -3.866 -7.894 1.00 0.00 H new ATOM 0 HB ILE A 121 20.920 -2.500 -6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 121 21.425 -2.119 -9.519 1.00 0.00 H new ATOM 0 HG13 ILE A 121 19.732 -2.252 -9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 121 23.179 -2.519 -7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 121 22.787 -4.050 -6.781 1.00 0.00 H new ATOM 0 HG23 ILE A 121 22.754 -3.956 -8.558 1.00 0.00 H new ATOM 0 HD11 ILE A 121 20.481 0.104 -8.980 1.00 0.00 H new ATOM 0 HD12 ILE A 121 20.019 -0.475 -7.362 1.00 0.00 H new ATOM 0 HD13 ILE A 121 21.738 -0.340 -7.802 1.00 0.00 H new ATOM 1494 N LEU A 122 20.004 -5.063 -9.891 1.00 0.00 N ATOM 1495 CA LEU A 122 20.288 -5.949 -11.007 1.00 0.00 C ATOM 1496 C LEU A 122 21.513 -5.433 -11.764 1.00 0.00 C ATOM 1497 O LEU A 122 22.176 -4.499 -11.316 1.00 0.00 O ATOM 1498 CB LEU A 122 19.047 -6.116 -11.887 1.00 0.00 C ATOM 1499 CG LEU A 122 18.423 -4.824 -12.418 1.00 0.00 C ATOM 1500 CD1 LEU A 122 18.310 -4.856 -13.944 1.00 0.00 C ATOM 1501 CD2 LEU A 122 17.074 -4.551 -11.750 1.00 0.00 C ATOM 0 H LEU A 122 19.351 -4.308 -10.101 1.00 0.00 H new ATOM 0 HA LEU A 122 20.533 -6.948 -10.647 1.00 0.00 H new ATOM 0 HB2 LEU A 122 19.311 -6.745 -12.737 1.00 0.00 H new ATOM 0 HB3 LEU A 122 18.290 -6.654 -11.316 1.00 0.00 H new ATOM 0 HG LEU A 122 19.083 -3.996 -12.161 1.00 0.00 H new ATOM 0 HD11 LEU A 122 17.863 -3.926 -14.295 1.00 0.00 H new ATOM 0 HD12 LEU A 122 19.303 -4.969 -14.380 1.00 0.00 H new ATOM 0 HD13 LEU A 122 17.684 -5.696 -14.245 1.00 0.00 H new ATOM 0 HD21 LEU A 122 16.652 -3.627 -12.146 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.393 -5.377 -11.954 1.00 0.00 H new ATOM 0 HD23 LEU A 122 17.214 -4.454 -10.673 1.00 0.00 H new ATOM 1512 N ASP A 123 21.778 -6.065 -12.898 1.00 0.00 N ATOM 1513 CA ASP A 123 22.913 -5.683 -13.721 1.00 0.00 C ATOM 1514 C ASP A 123 24.208 -5.944 -12.950 1.00 0.00 C ATOM 1515 O ASP A 123 24.294 -5.655 -11.757 1.00 0.00 O ATOM 1516 CB ASP A 123 22.863 -4.193 -14.070 1.00 0.00 C ATOM 1517 CG ASP A 123 22.448 -3.880 -15.509 1.00 0.00 C ATOM 1518 OD1 ASP A 123 22.098 -4.846 -16.222 1.00 0.00 O ATOM 1519 OD2 ASP A 123 22.491 -2.682 -15.864 1.00 0.00 O ATOM 0 H ASP A 123 21.226 -6.839 -13.266 1.00 0.00 H new ATOM 0 HA ASP A 123 22.877 -6.271 -14.638 1.00 0.00 H new ATOM 0 HB2 ASP A 123 22.167 -3.699 -13.392 1.00 0.00 H new ATOM 0 HB3 ASP A 123 23.847 -3.759 -13.889 1.00 0.00 H new ATOM 1523 N ASP A 124 25.185 -6.487 -13.663 1.00 0.00 N ATOM 1524 CA ASP A 124 26.471 -6.791 -13.060 1.00 0.00 C ATOM 1525 C ASP A 124 26.999 -5.547 -12.342 1.00 0.00 C ATOM 1526 O ASP A 124 27.073 -4.470 -12.932 1.00 0.00 O ATOM 1527 CB ASP A 124 27.495 -7.193 -14.122 1.00 0.00 C ATOM 1528 CG ASP A 124 27.054 -8.328 -15.049 1.00 0.00 C ATOM 1529 OD1 ASP A 124 25.955 -8.192 -15.630 1.00 0.00 O ATOM 1530 OD2 ASP A 124 27.825 -9.306 -15.157 1.00 0.00 O ATOM 0 H ASP A 124 25.111 -6.724 -14.652 1.00 0.00 H new ATOM 0 HA ASP A 124 26.330 -7.617 -12.363 1.00 0.00 H new ATOM 0 HB2 ASP A 124 27.729 -6.318 -14.729 1.00 0.00 H new ATOM 0 HB3 ASP A 124 28.417 -7.490 -13.622 1.00 0.00 H new ATOM 1534 N LYS A 125 27.352 -5.737 -11.079 1.00 0.00 N ATOM 1535 CA LYS A 125 27.871 -4.645 -10.274 1.00 0.00 C ATOM 1536 C LYS A 125 28.196 -5.160 -8.871 1.00 0.00 C ATOM 1537 O LYS A 125 27.670 -4.653 -7.881 1.00 0.00 O ATOM 1538 CB LYS A 125 26.899 -3.463 -10.285 1.00 0.00 C ATOM 1539 CG LYS A 125 27.562 -2.214 -10.868 1.00 0.00 C ATOM 1540 CD LYS A 125 26.576 -1.045 -10.923 1.00 0.00 C ATOM 1541 CE LYS A 125 27.137 0.107 -11.759 1.00 0.00 C ATOM 1542 NZ LYS A 125 26.799 1.409 -11.141 1.00 0.00 N ATOM 0 H LYS A 125 27.289 -6.632 -10.593 1.00 0.00 H new ATOM 0 HA LYS A 125 28.801 -4.268 -10.699 1.00 0.00 H new ATOM 0 HB2 LYS A 125 26.017 -3.718 -10.872 1.00 0.00 H new ATOM 0 HB3 LYS A 125 26.558 -3.258 -9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 125 28.424 -1.939 -10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 125 27.933 -2.429 -11.870 1.00 0.00 H new ATOM 0 HD2 LYS A 125 25.631 -1.382 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 125 26.364 -0.696 -9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 125 28.219 0.009 -11.845 1.00 0.00 H new ATOM 0 HE3 LYS A 125 26.732 0.061 -12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 27.187 2.180 -11.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 25.765 1.507 -11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 27.207 1.456 -10.185 1.00 0.00 H new ATOM 1552 N GLN A 126 29.062 -6.164 -8.829 1.00 0.00 N ATOM 1553 CA GLN A 126 29.464 -6.753 -7.564 1.00 0.00 C ATOM 1554 C GLN A 126 30.600 -5.942 -6.937 1.00 0.00 C ATOM 1555 O GLN A 126 31.640 -5.740 -7.562 1.00 0.00 O ATOM 1556 CB GLN A 126 29.871 -8.216 -7.746 1.00 0.00 C ATOM 1557 CG GLN A 126 31.148 -8.331 -8.580 1.00 0.00 C ATOM 1558 CD GLN A 126 31.175 -9.644 -9.365 1.00 0.00 C ATOM 1559 OE1 GLN A 126 30.517 -10.614 -9.026 1.00 0.00 O ATOM 1560 NE2 GLN A 126 31.971 -9.621 -10.431 1.00 0.00 N ATOM 0 H GLN A 126 29.496 -6.583 -9.652 1.00 0.00 H new ATOM 0 HA GLN A 126 28.610 -6.729 -6.887 1.00 0.00 H new ATOM 0 HB2 GLN A 126 30.027 -8.678 -6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 126 29.064 -8.764 -8.233 1.00 0.00 H new ATOM 0 HG2 GLN A 126 31.213 -7.490 -9.270 1.00 0.00 H new ATOM 0 HG3 GLN A 126 32.019 -8.276 -7.927 1.00 0.00 H new ATOM 0 HE21 GLN A 126 32.494 -8.776 -10.659 1.00 0.00 H new ATOM 0 HE22 GLN A 126 32.058 -10.449 -11.021 1.00 0.00 H new ATOM 1567 N ARG A 127 30.361 -5.500 -5.711 1.00 0.00 N ATOM 1568 CA ARG A 127 31.351 -4.715 -4.993 1.00 0.00 C ATOM 1569 C ARG A 127 31.193 -4.913 -3.484 1.00 0.00 C ATOM 1570 O ARG A 127 30.093 -4.775 -2.949 1.00 0.00 O ATOM 1571 CB ARG A 127 31.220 -3.228 -5.323 1.00 0.00 C ATOM 1572 CG ARG A 127 29.834 -2.701 -4.942 1.00 0.00 C ATOM 1573 CD ARG A 127 29.926 -1.694 -3.794 1.00 0.00 C ATOM 1574 NE ARG A 127 29.570 -0.342 -4.277 1.00 0.00 N ATOM 1575 CZ ARG A 127 28.319 0.053 -4.550 1.00 0.00 C ATOM 1576 NH1 ARG A 127 27.297 -0.799 -4.388 1.00 0.00 N ATOM 1577 NH2 ARG A 127 28.090 1.300 -4.985 1.00 0.00 N ATOM 0 H ARG A 127 29.497 -5.670 -5.197 1.00 0.00 H new ATOM 0 HA ARG A 127 32.337 -5.058 -5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 127 31.986 -2.665 -4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 127 31.392 -3.072 -6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 127 29.370 -2.229 -5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 127 29.193 -3.533 -4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 127 29.256 -1.989 -2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 127 30.936 -1.688 -3.384 1.00 0.00 H new ATOM 0 HE ARG A 127 30.324 0.332 -4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 127 27.472 -1.748 -4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 127 26.345 -0.498 -4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 127 28.868 1.948 -5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 127 27.138 1.601 -5.193 1.00 0.00 H new ATOM 1588 N LYS A 128 32.306 -5.231 -2.840 1.00 0.00 N ATOM 1589 CA LYS A 128 32.304 -5.449 -1.404 1.00 0.00 C ATOM 1590 C LYS A 128 33.727 -5.289 -0.866 1.00 0.00 C ATOM 1591 O LYS A 128 33.985 -4.423 -0.031 1.00 0.00 O ATOM 1592 CB LYS A 128 31.668 -6.799 -1.067 1.00 0.00 C ATOM 1593 CG LYS A 128 31.757 -7.089 0.432 1.00 0.00 C ATOM 1594 CD LYS A 128 31.206 -8.479 0.756 1.00 0.00 C ATOM 1595 CE LYS A 128 32.068 -9.180 1.808 1.00 0.00 C ATOM 1596 NZ LYS A 128 31.233 -9.652 2.934 1.00 0.00 N ATOM 0 H LYS A 128 33.216 -5.343 -3.287 1.00 0.00 H new ATOM 0 HA LYS A 128 31.688 -4.700 -0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 128 30.624 -6.801 -1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 128 32.169 -7.590 -1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 128 32.795 -7.020 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 128 31.198 -6.334 0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 128 30.182 -8.392 1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 128 31.173 -9.081 -0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 128 32.589 -10.024 1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 128 32.831 -8.494 2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 31.835 -10.125 3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 30.755 -8.841 3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 30.521 -10.323 2.581 1.00 0.00 H new ATOM 1606 N TYR A 129 34.614 -6.136 -1.367 1.00 0.00 N ATOM 1607 CA TYR A 129 36.004 -6.099 -0.946 1.00 0.00 C ATOM 1608 C TYR A 129 36.119 -6.195 0.576 1.00 0.00 C ATOM 1609 O TYR A 129 35.122 -6.080 1.286 1.00 0.00 O ATOM 1610 CB TYR A 129 36.547 -4.744 -1.403 1.00 0.00 C ATOM 1611 CG TYR A 129 37.970 -4.450 -0.925 1.00 0.00 C ATOM 1612 CD1 TYR A 129 39.009 -5.275 -1.302 1.00 0.00 C ATOM 1613 CD2 TYR A 129 38.214 -3.359 -0.115 1.00 0.00 C ATOM 1614 CE1 TYR A 129 40.348 -4.998 -0.852 1.00 0.00 C ATOM 1615 CE2 TYR A 129 39.554 -3.082 0.334 1.00 0.00 C ATOM 1616 CZ TYR A 129 40.555 -3.916 -0.055 1.00 0.00 C ATOM 1617 OH TYR A 129 41.820 -3.655 0.369 1.00 0.00 O ATOM 0 H TYR A 129 34.397 -6.852 -2.060 1.00 0.00 H new ATOM 0 HA TYR A 129 36.557 -6.936 -1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 129 36.525 -4.704 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 129 35.884 -3.958 -1.042 1.00 0.00 H new ATOM 0 HD1 TYR A 129 38.818 -6.129 -1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 129 37.400 -2.714 0.182 1.00 0.00 H new ATOM 0 HE1 TYR A 129 41.170 -5.636 -1.141 1.00 0.00 H new ATOM 0 HE2 TYR A 129 39.759 -2.231 0.966 1.00 0.00 H new ATOM 0 HH TYR A 129 41.818 -2.851 0.930 1.00 0.00 H new ATOM 1626 N ASP A 130 37.346 -6.404 1.032 1.00 0.00 N ATOM 1627 CA ASP A 130 37.605 -6.517 2.457 1.00 0.00 C ATOM 1628 C ASP A 130 39.094 -6.786 2.681 1.00 0.00 C ATOM 1629 O ASP A 130 39.719 -7.516 1.913 1.00 0.00 O ATOM 1630 CB ASP A 130 36.818 -7.676 3.071 1.00 0.00 C ATOM 1631 CG ASP A 130 36.798 -8.958 2.235 1.00 0.00 C ATOM 1632 OD1 ASP A 130 36.173 -8.921 1.154 1.00 0.00 O ATOM 1633 OD2 ASP A 130 37.408 -9.946 2.697 1.00 0.00 O ATOM 0 H ASP A 130 38.171 -6.498 0.440 1.00 0.00 H new ATOM 0 HA ASP A 130 37.299 -5.584 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 130 37.241 -7.905 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 130 35.791 -7.351 3.236 1.00 0.00 H new ATOM 1637 N LEU A 131 39.620 -6.182 3.737 1.00 0.00 N ATOM 1638 CA LEU A 131 41.025 -6.348 4.071 1.00 0.00 C ATOM 1639 C LEU A 131 41.146 -6.855 5.509 1.00 0.00 C ATOM 1640 O LEU A 131 40.727 -7.970 5.815 1.00 0.00 O ATOM 1641 CB LEU A 131 41.794 -5.052 3.810 1.00 0.00 C ATOM 1642 CG LEU A 131 43.310 -5.118 4.011 1.00 0.00 C ATOM 1643 CD1 LEU A 131 44.027 -5.400 2.689 1.00 0.00 C ATOM 1644 CD2 LEU A 131 43.829 -3.847 4.686 1.00 0.00 C ATOM 0 H LEU A 131 39.099 -5.577 4.372 1.00 0.00 H new ATOM 0 HA LEU A 131 41.483 -7.099 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 131 41.597 -4.736 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 131 41.394 -4.278 4.465 1.00 0.00 H new ATOM 0 HG LEU A 131 43.530 -5.950 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 131 45.103 -5.442 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 131 43.686 -6.354 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 131 43.803 -4.605 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 131 44.909 -3.920 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 131 43.596 -2.983 4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 131 43.352 -3.731 5.659 1.00 0.00 H new ATOM 1655 N HIS A 132 41.720 -6.011 6.354 1.00 0.00 N ATOM 1656 CA HIS A 132 41.901 -6.360 7.753 1.00 0.00 C ATOM 1657 C HIS A 132 42.952 -7.466 7.873 1.00 0.00 C ATOM 1658 O HIS A 132 42.996 -8.379 7.050 1.00 0.00 O ATOM 1659 CB HIS A 132 40.566 -6.740 8.395 1.00 0.00 C ATOM 1660 CG HIS A 132 40.149 -5.830 9.528 1.00 0.00 C ATOM 1661 ND1 HIS A 132 39.213 -6.197 10.478 1.00 0.00 N ATOM 1662 CD2 HIS A 132 40.552 -4.568 9.851 1.00 0.00 C ATOM 1663 CE1 HIS A 132 39.066 -5.193 11.329 1.00 0.00 C ATOM 1664 NE2 HIS A 132 39.896 -4.184 10.939 1.00 0.00 N ATOM 0 H HIS A 132 42.066 -5.086 6.097 1.00 0.00 H new ATOM 0 HA HIS A 132 42.269 -5.494 8.303 1.00 0.00 H new ATOM 0 HB2 HIS A 132 39.790 -6.730 7.630 1.00 0.00 H new ATOM 0 HB3 HIS A 132 40.632 -7.762 8.768 1.00 0.00 H new ATOM 0 HD2 HIS A 132 41.281 -3.981 9.313 1.00 0.00 H new ATOM 0 HE1 HIS A 132 38.404 -5.176 12.183 1.00 0.00 H new ATOM 0 HE2 HIS A 132 39.996 -3.283 11.406 1.00 0.00 H new ATOM 1672 N TYR A 133 43.774 -7.347 8.906 1.00 0.00 N ATOM 1673 CA TYR A 133 44.822 -8.325 9.146 1.00 0.00 C ATOM 1674 C TYR A 133 44.359 -9.393 10.138 1.00 0.00 C ATOM 1675 O TYR A 133 43.160 -9.602 10.317 1.00 0.00 O ATOM 1676 CB TYR A 133 45.991 -7.549 9.757 1.00 0.00 C ATOM 1677 CG TYR A 133 47.003 -8.429 10.495 1.00 0.00 C ATOM 1678 CD1 TYR A 133 47.598 -9.490 9.844 1.00 0.00 C ATOM 1679 CD2 TYR A 133 47.320 -8.160 11.811 1.00 0.00 C ATOM 1680 CE1 TYR A 133 48.550 -10.317 10.539 1.00 0.00 C ATOM 1681 CE2 TYR A 133 48.272 -8.988 12.505 1.00 0.00 C ATOM 1682 CZ TYR A 133 48.841 -10.025 11.834 1.00 0.00 C ATOM 1683 OH TYR A 133 49.741 -10.807 12.490 1.00 0.00 O ATOM 0 H TYR A 133 43.735 -6.588 9.586 1.00 0.00 H new ATOM 0 HA TYR A 133 45.095 -8.830 8.220 1.00 0.00 H new ATOM 0 HB2 TYR A 133 46.507 -7.005 8.965 1.00 0.00 H new ATOM 0 HB3 TYR A 133 45.598 -6.805 10.450 1.00 0.00 H new ATOM 0 HD1 TYR A 133 47.350 -9.700 8.814 1.00 0.00 H new ATOM 0 HD2 TYR A 133 46.854 -7.329 12.320 1.00 0.00 H new ATOM 0 HE1 TYR A 133 49.023 -11.151 10.042 1.00 0.00 H new ATOM 0 HE2 TYR A 133 48.528 -8.790 13.535 1.00 0.00 H new ATOM 0 HH TYR A 133 49.851 -10.480 13.407 1.00 0.00 H new TER 1692 TYR A 133