USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 44 HIS : no HD1:sc= -5.46! C(o=-5.8!,f=-7.3!) USER MOD Set 1.2: A 47 MET CE :methyl 174:sc= -0.341 (180deg=-0.416) USER MOD Set 2.1: A 34 SER OG : rot 162:sc= 0.0762 USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= 0.0743 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.72 K(o=-1.7,f=-2.6!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -36:sc= 0.0483 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.0156 F(o=-1.4!,f=-0.016) USER MOD Single : A 29 SER OG : rot -45:sc= 0.917 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -116:sc= 1.06 USER MOD Single : A 42 ASN : amide:sc=-0.00743 K(o=-0.0074,f=-0.98) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -135:sc= -2.62 (180deg=-3.17!) USER MOD Single : A 59 HIS :FLIP no HE2:sc= -1.78 F(o=-2.7!,f=-1.8) USER MOD Single : A 60 THR OG1 : rot 28:sc= 1.18 USER MOD Single : A 62 TYR OH : rot 169:sc= 0.0416 USER MOD Single : A 69 SER OG : rot 160:sc= -0.977 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS :FLIP no HE2:sc= -6.33! C(o=-9.9!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 80.610 67.260 37.710 1.00 0.00 N ATOM 49 CA LYS A 4 80.940 68.620 37.270 1.00 0.00 C ATOM 50 C LYS A 4 79.840 69.260 36.360 1.00 0.00 C ATOM 51 O LYS A 4 80.100 70.310 35.730 1.00 0.00 O ATOM 52 CB LYS A 4 82.300 68.590 36.610 1.00 0.00 C ATOM 53 CG LYS A 4 83.420 68.210 37.590 1.00 0.00 C ATOM 54 CD LYS A 4 84.770 68.180 36.880 1.00 0.00 C ATOM 55 CE LYS A 4 85.890 67.810 37.850 1.00 0.00 C ATOM 56 NZ LYS A 4 87.190 67.790 37.160 1.00 0.00 N ATOM 0 HA LYS A 4 80.975 69.273 38.142 1.00 0.00 H new ATOM 0 HB2 LYS A 4 82.285 67.877 35.786 1.00 0.00 H new ATOM 0 HB3 LYS A 4 82.514 69.569 36.181 1.00 0.00 H new ATOM 0 HG2 LYS A 4 83.451 68.927 38.411 1.00 0.00 H new ATOM 0 HG3 LYS A 4 83.212 67.234 38.027 1.00 0.00 H new ATOM 0 HD2 LYS A 4 84.739 67.460 36.063 1.00 0.00 H new ATOM 0 HD3 LYS A 4 84.974 69.155 36.438 1.00 0.00 H new ATOM 0 HE2 LYS A 4 85.919 68.527 38.670 1.00 0.00 H new ATOM 0 HE3 LYS A 4 85.690 66.832 38.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 87.938 67.536 37.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 87.165 67.089 36.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 87.387 68.731 36.763 1.00 0.00 H new ATOM 70 N LEU A 5 78.680 68.570 36.280 1.00 0.00 N ATOM 71 CA LEU A 5 77.570 69.020 35.440 1.00 0.00 C ATOM 72 C LEU A 5 76.450 69.340 36.360 1.00 0.00 C ATOM 73 O LEU A 5 76.300 68.630 37.340 1.00 0.00 O ATOM 74 CB LEU A 5 77.100 68.000 34.400 1.00 0.00 C ATOM 75 CG LEU A 5 78.180 67.650 33.390 1.00 0.00 C ATOM 76 CD1 LEU A 5 77.710 66.520 32.470 1.00 0.00 C ATOM 77 CD2 LEU A 5 78.480 68.850 32.560 1.00 0.00 C ATOM 0 H LEU A 5 78.498 67.705 36.788 1.00 0.00 H new ATOM 0 HA LEU A 5 77.912 69.876 34.859 1.00 0.00 H new ATOM 0 HB2 LEU A 5 76.776 67.092 34.909 1.00 0.00 H new ATOM 0 HB3 LEU A 5 76.232 68.397 33.874 1.00 0.00 H new ATOM 0 HG LEU A 5 79.070 67.325 33.928 1.00 0.00 H new ATOM 0 HD11 LEU A 5 78.497 66.283 31.754 1.00 0.00 H new ATOM 0 HD12 LEU A 5 77.484 65.636 33.066 1.00 0.00 H new ATOM 0 HD13 LEU A 5 76.815 66.835 31.935 1.00 0.00 H new ATOM 0 HD21 LEU A 5 79.254 68.605 31.833 1.00 0.00 H new ATOM 0 HD22 LEU A 5 77.577 69.165 32.036 1.00 0.00 H new ATOM 0 HD23 LEU A 5 78.828 69.659 33.202 1.00 0.00 H new ATOM 89 N VAL A 6 75.720 70.360 35.940 1.00 0.00 N ATOM 90 CA VAL A 6 74.450 70.770 36.510 1.00 0.00 C ATOM 91 C VAL A 6 73.290 70.830 35.560 1.00 0.00 C ATOM 92 O VAL A 6 73.310 71.570 34.610 1.00 0.00 O ATOM 93 CB VAL A 6 74.640 72.120 37.180 1.00 0.00 C ATOM 94 CG1 VAL A 6 73.330 72.660 37.700 1.00 0.00 C ATOM 95 CG2 VAL A 6 75.590 71.970 38.350 1.00 0.00 C ATOM 0 H VAL A 6 76.010 70.949 35.159 1.00 0.00 H new ATOM 0 HA VAL A 6 74.175 69.988 37.218 1.00 0.00 H new ATOM 0 HB VAL A 6 75.041 72.811 36.439 1.00 0.00 H new ATOM 0 HG11 VAL A 6 73.498 73.627 38.174 1.00 0.00 H new ATOM 0 HG12 VAL A 6 72.631 72.778 36.872 1.00 0.00 H new ATOM 0 HG13 VAL A 6 72.914 71.965 38.430 1.00 0.00 H new ATOM 0 HG21 VAL A 6 75.728 72.937 38.833 1.00 0.00 H new ATOM 0 HG22 VAL A 6 75.175 71.262 39.068 1.00 0.00 H new ATOM 0 HG23 VAL A 6 76.552 71.602 37.993 1.00 0.00 H new ATOM 105 N LEU A 7 72.220 70.100 35.800 1.00 0.00 N ATOM 106 CA LEU A 7 71.140 69.840 34.850 1.00 0.00 C ATOM 107 C LEU A 7 69.930 70.730 35.150 1.00 0.00 C ATOM 108 O LEU A 7 69.510 70.970 36.230 1.00 0.00 O ATOM 109 CB LEU A 7 70.740 68.340 34.890 1.00 0.00 C ATOM 110 CG LEU A 7 71.870 67.390 34.490 1.00 0.00 C ATOM 111 CD1 LEU A 7 71.430 65.940 34.670 1.00 0.00 C ATOM 112 CD2 LEU A 7 72.240 67.600 33.020 1.00 0.00 C ATOM 0 H LEU A 7 72.066 69.648 36.701 1.00 0.00 H new ATOM 0 HA LEU A 7 71.495 70.078 33.847 1.00 0.00 H new ATOM 0 HB2 LEU A 7 70.406 68.089 35.897 1.00 0.00 H new ATOM 0 HB3 LEU A 7 69.892 68.182 34.224 1.00 0.00 H new ATOM 0 HG LEU A 7 72.730 67.600 35.126 1.00 0.00 H new ATOM 0 HD11 LEU A 7 72.244 65.274 34.382 1.00 0.00 H new ATOM 0 HD12 LEU A 7 71.171 65.765 35.714 1.00 0.00 H new ATOM 0 HD13 LEU A 7 70.561 65.743 34.043 1.00 0.00 H new ATOM 0 HD21 LEU A 7 73.045 66.918 32.747 1.00 0.00 H new ATOM 0 HD22 LEU A 7 71.370 67.403 32.394 1.00 0.00 H new ATOM 0 HD23 LEU A 7 72.569 68.628 32.871 1.00 0.00 H new ATOM 124 N ALA A 8 69.230 71.120 34.110 1.00 0.00 N ATOM 125 CA ALA A 8 67.870 71.680 34.080 1.00 0.00 C ATOM 126 C ALA A 8 66.770 70.810 34.670 1.00 0.00 C ATOM 127 O ALA A 8 66.710 69.610 34.330 1.00 0.00 O ATOM 128 CB ALA A 8 67.530 72.040 32.630 1.00 0.00 C ATOM 0 H ALA A 8 69.621 71.053 33.170 1.00 0.00 H new ATOM 0 HA ALA A 8 67.895 72.552 34.734 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.524 72.458 32.585 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.245 72.775 32.260 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.579 71.144 32.012 1.00 0.00 H new ATOM 134 N LYS A 9 65.870 71.420 35.480 1.00 0.00 N ATOM 135 CA LYS A 9 64.630 70.750 35.760 1.00 0.00 C ATOM 136 C LYS A 9 63.800 70.570 34.530 1.00 0.00 C ATOM 137 O LYS A 9 63.230 69.500 34.400 1.00 0.00 O ATOM 138 CB LYS A 9 63.830 71.520 36.800 1.00 0.00 C ATOM 139 CG LYS A 9 62.520 70.820 37.140 1.00 0.00 C ATOM 140 CD LYS A 9 61.780 71.570 38.250 1.00 0.00 C ATOM 141 CE LYS A 9 60.460 70.850 38.570 1.00 0.00 C ATOM 142 NZ LYS A 9 59.690 71.520 39.560 1.00 0.00 N ATOM 0 H LYS A 9 65.992 72.332 35.921 1.00 0.00 H new ATOM 0 HA LYS A 9 64.883 69.763 36.147 1.00 0.00 H new ATOM 0 HB2 LYS A 9 64.426 71.635 37.705 1.00 0.00 H new ATOM 0 HB3 LYS A 9 63.620 72.523 36.428 1.00 0.00 H new ATOM 0 HG2 LYS A 9 61.891 70.762 36.251 1.00 0.00 H new ATOM 0 HG3 LYS A 9 62.720 69.796 37.456 1.00 0.00 H new ATOM 0 HD2 LYS A 9 62.402 71.624 39.143 1.00 0.00 H new ATOM 0 HD3 LYS A 9 61.580 72.595 37.939 1.00 0.00 H new ATOM 0 HE2 LYS A 9 59.870 70.760 37.658 1.00 0.00 H new ATOM 0 HE3 LYS A 9 60.677 69.837 38.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 58.812 70.990 39.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 60.238 71.583 40.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 59.456 72.478 39.228 1.00 0.00 H new ATOM 156 N ASN A 10 63.720 71.590 33.670 1.00 0.00 N ATOM 157 CA ASN A 10 62.560 71.800 32.820 1.00 0.00 C ATOM 158 C ASN A 10 62.330 70.690 31.840 1.00 0.00 C ATOM 159 O ASN A 10 61.230 70.200 31.750 1.00 0.00 O ATOM 160 CB ASN A 10 62.660 73.130 32.080 1.00 0.00 C ATOM 161 CG ASN A 10 62.430 74.290 33.020 1.00 0.00 C ATOM 162 OD1 ASN A 10 61.990 74.120 34.100 1.00 0.00 O ATOM 163 ND2 ASN A 10 62.750 75.490 32.600 1.00 0.00 N ATOM 0 H ASN A 10 64.456 72.285 33.549 1.00 0.00 H new ATOM 0 HA ASN A 10 61.701 71.816 33.491 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.643 73.221 31.618 1.00 0.00 H new ATOM 0 HB3 ASN A 10 61.926 73.159 31.275 1.00 0.00 H new ATOM 0 HD21 ASN A 10 62.619 76.296 33.211 1.00 0.00 H new ATOM 0 HD22 ASN A 10 63.130 75.618 31.662 1.00 0.00 H new ATOM 170 N THR A 11 63.340 70.280 31.120 1.00 0.00 N ATOM 171 CA THR A 11 63.370 69.090 30.310 1.00 0.00 C ATOM 172 C THR A 11 63.390 67.750 31.010 1.00 0.00 C ATOM 173 O THR A 11 62.660 66.840 30.560 1.00 0.00 O ATOM 174 CB THR A 11 64.600 69.230 29.430 1.00 0.00 C ATOM 175 OG1 THR A 11 64.450 70.380 28.620 1.00 0.00 O ATOM 176 CG2 THR A 11 64.730 67.990 28.580 1.00 0.00 C ATOM 0 H THR A 11 64.217 70.799 31.081 1.00 0.00 H new ATOM 0 HA THR A 11 62.418 69.052 29.781 1.00 0.00 H new ATOM 0 HB THR A 11 65.501 69.340 30.034 1.00 0.00 H new ATOM 0 HG1 THR A 11 65.239 70.482 28.048 1.00 0.00 H new ATOM 0 HG21 THR A 11 65.610 68.077 27.942 1.00 0.00 H new ATOM 0 HG22 THR A 11 64.833 67.117 29.224 1.00 0.00 H new ATOM 0 HG23 THR A 11 63.841 67.880 27.959 1.00 0.00 H new ATOM 285 N SER A 18 67.820 72.570 42.070 1.00 0.00 N ATOM 286 CA SER A 18 68.550 73.190 43.230 1.00 0.00 C ATOM 287 C SER A 18 70.080 73.210 43.250 1.00 0.00 C ATOM 288 O SER A 18 70.690 74.050 43.880 1.00 0.00 O ATOM 289 CB SER A 18 68.090 72.500 44.500 1.00 0.00 C ATOM 290 OG SER A 18 68.460 71.140 44.490 1.00 0.00 O ATOM 0 HA SER A 18 68.289 74.244 43.132 1.00 0.00 H new ATOM 0 HB2 SER A 18 68.527 72.995 45.367 1.00 0.00 H new ATOM 0 HB3 SER A 18 67.008 72.587 44.595 1.00 0.00 H new ATOM 0 HG SER A 18 68.393 70.789 43.577 1.00 0.00 H new ATOM 296 N VAL A 19 70.610 72.300 42.490 1.00 0.00 N ATOM 297 CA VAL A 19 71.950 71.750 42.600 1.00 0.00 C ATOM 298 C VAL A 19 73.070 72.770 42.350 1.00 0.00 C ATOM 299 O VAL A 19 74.080 72.720 43.020 1.00 0.00 O ATOM 300 CB VAL A 19 72.080 70.590 41.620 1.00 0.00 C ATOM 301 CG1 VAL A 19 73.480 70.040 41.620 1.00 0.00 C ATOM 302 CG2 VAL A 19 71.120 69.460 42.010 1.00 0.00 C ATOM 0 H VAL A 19 70.089 71.885 41.718 1.00 0.00 H new ATOM 0 HA VAL A 19 72.076 71.420 43.631 1.00 0.00 H new ATOM 0 HB VAL A 19 71.837 70.968 40.627 1.00 0.00 H new ATOM 0 HG11 VAL A 19 73.546 69.213 40.913 1.00 0.00 H new ATOM 0 HG12 VAL A 19 74.179 70.824 41.328 1.00 0.00 H new ATOM 0 HG13 VAL A 19 73.731 69.683 42.619 1.00 0.00 H new ATOM 0 HG21 VAL A 19 71.221 68.636 41.303 1.00 0.00 H new ATOM 0 HG22 VAL A 19 71.360 69.109 43.013 1.00 0.00 H new ATOM 0 HG23 VAL A 19 70.095 69.831 41.991 1.00 0.00 H new ATOM 312 N GLU A 20 72.900 73.740 41.430 1.00 0.00 N ATOM 313 CA GLU A 20 73.980 74.720 41.180 1.00 0.00 C ATOM 314 C GLU A 20 74.270 75.460 42.430 1.00 0.00 C ATOM 315 O GLU A 20 75.410 75.660 42.760 1.00 0.00 O ATOM 316 CB GLU A 20 73.610 75.720 40.120 1.00 0.00 C ATOM 317 CG GLU A 20 74.700 76.750 39.850 1.00 0.00 C ATOM 318 CD GLU A 20 76.020 76.090 39.460 1.00 0.00 C ATOM 319 OE1 GLU A 20 75.930 75.050 38.800 1.00 0.00 O ATOM 320 OE2 GLU A 20 77.060 76.630 39.800 1.00 0.00 O ATOM 0 H GLU A 20 72.060 73.867 40.866 1.00 0.00 H new ATOM 0 HA GLU A 20 74.850 74.160 40.837 1.00 0.00 H new ATOM 0 HB2 GLU A 20 73.384 75.190 39.195 1.00 0.00 H new ATOM 0 HB3 GLU A 20 72.699 76.237 40.421 1.00 0.00 H new ATOM 0 HG2 GLU A 20 74.378 77.419 39.052 1.00 0.00 H new ATOM 0 HG3 GLU A 20 74.849 77.363 40.739 1.00 0.00 H new ATOM 327 N LEU A 21 73.190 75.860 43.120 1.00 0.00 N ATOM 328 CA LEU A 21 73.390 76.660 44.330 1.00 0.00 C ATOM 329 C LEU A 21 74.160 75.940 45.460 1.00 0.00 C ATOM 330 O LEU A 21 75.060 76.490 46.080 1.00 0.00 O ATOM 331 CB LEU A 21 72.040 77.170 44.850 1.00 0.00 C ATOM 332 CG LEU A 21 71.350 78.120 43.870 1.00 0.00 C ATOM 333 CD1 LEU A 21 69.990 78.530 44.400 1.00 0.00 C ATOM 334 CD2 LEU A 21 72.180 79.370 43.660 1.00 0.00 C ATOM 0 H LEU A 21 72.221 75.655 42.876 1.00 0.00 H new ATOM 0 HA LEU A 21 74.026 77.493 44.031 1.00 0.00 H new ATOM 0 HB2 LEU A 21 71.387 76.320 45.047 1.00 0.00 H new ATOM 0 HB3 LEU A 21 72.191 77.682 45.800 1.00 0.00 H new ATOM 0 HG LEU A 21 71.237 77.593 42.923 1.00 0.00 H new ATOM 0 HD11 LEU A 21 69.512 79.206 43.691 1.00 0.00 H new ATOM 0 HD12 LEU A 21 69.369 77.644 44.532 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.110 79.035 45.358 1.00 0.00 H new ATOM 0 HD21 LEU A 21 71.670 80.032 42.959 1.00 0.00 H new ATOM 0 HD22 LEU A 21 72.313 79.883 44.613 1.00 0.00 H new ATOM 0 HD23 LEU A 21 73.155 79.096 43.257 1.00 0.00 H new ATOM 346 N GLU A 22 73.810 74.720 45.790 1.00 0.00 N ATOM 347 CA GLU A 22 74.560 73.940 46.750 1.00 0.00 C ATOM 348 C GLU A 22 75.950 73.630 46.230 1.00 0.00 C ATOM 349 O GLU A 22 76.880 73.680 47.050 1.00 0.00 O ATOM 350 CB GLU A 22 73.830 72.630 47.030 1.00 0.00 C ATOM 351 CG GLU A 22 72.560 72.880 47.830 1.00 0.00 C ATOM 352 CD GLU A 22 71.900 71.580 48.120 1.00 0.00 C ATOM 353 OE1 GLU A 22 72.460 70.540 47.790 1.00 0.00 O ATOM 354 OE2 GLU A 22 70.800 71.730 48.620 1.00 0.00 O ATOM 0 H GLU A 22 72.999 74.239 45.402 1.00 0.00 H new ATOM 0 HA GLU A 22 74.649 74.523 47.666 1.00 0.00 H new ATOM 0 HB2 GLU A 22 73.582 72.138 46.089 1.00 0.00 H new ATOM 0 HB3 GLU A 22 74.485 71.954 47.580 1.00 0.00 H new ATOM 0 HG2 GLU A 22 72.798 73.396 48.760 1.00 0.00 H new ATOM 0 HG3 GLU A 22 71.885 73.527 47.270 1.00 0.00 H new ATOM 361 N ASP A 23 76.060 73.380 44.930 1.00 0.00 N ATOM 362 CA ASP A 23 77.340 73.040 44.330 1.00 0.00 C ATOM 363 C ASP A 23 78.280 74.170 44.420 1.00 0.00 C ATOM 364 O ASP A 23 79.430 73.950 44.740 1.00 0.00 O ATOM 365 CB ASP A 23 77.180 72.620 42.870 1.00 0.00 C ATOM 366 CG ASP A 23 76.540 71.230 42.870 1.00 0.00 C ATOM 367 OD1 ASP A 23 76.480 70.690 44.020 1.00 0.00 O ATOM 368 OD2 ASP A 23 76.200 70.850 41.670 1.00 0.00 O ATOM 0 H ASP A 23 75.279 73.407 44.275 1.00 0.00 H new ATOM 0 HA ASP A 23 77.743 72.196 44.890 1.00 0.00 H new ATOM 0 HB2 ASP A 23 76.555 73.332 42.331 1.00 0.00 H new ATOM 0 HB3 ASP A 23 78.147 72.599 42.367 1.00 0.00 H new ATOM 373 N LEU A 24 77.760 75.380 44.190 1.00 0.00 N ATOM 374 CA LEU A 24 78.640 76.550 44.270 1.00 0.00 C ATOM 375 C LEU A 24 79.440 76.480 45.600 1.00 0.00 C ATOM 376 O LEU A 24 80.670 76.440 45.660 1.00 0.00 O ATOM 377 CB LEU A 24 77.830 77.860 44.170 1.00 0.00 C ATOM 378 CG LEU A 24 77.270 78.150 42.770 1.00 0.00 C ATOM 379 CD1 LEU A 24 76.220 79.260 42.860 1.00 0.00 C ATOM 380 CD2 LEU A 24 78.380 78.590 41.840 1.00 0.00 C ATOM 0 H LEU A 24 76.785 75.572 43.958 1.00 0.00 H new ATOM 0 HA LEU A 24 79.335 76.543 43.431 1.00 0.00 H new ATOM 0 HB2 LEU A 24 77.002 77.817 44.878 1.00 0.00 H new ATOM 0 HB3 LEU A 24 78.466 78.691 44.474 1.00 0.00 H new ATOM 0 HG LEU A 24 76.816 77.240 42.378 1.00 0.00 H new ATOM 0 HD11 LEU A 24 75.822 79.466 41.866 1.00 0.00 H new ATOM 0 HD12 LEU A 24 75.410 78.942 43.516 1.00 0.00 H new ATOM 0 HD13 LEU A 24 76.679 80.163 43.262 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.968 78.792 40.851 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.845 79.495 42.231 1.00 0.00 H new ATOM 0 HD23 LEU A 24 79.128 77.800 41.767 1.00 0.00 H new ATOM 392 N TYR A 25 78.690 76.440 46.700 1.00 0.00 N ATOM 393 CA TYR A 25 79.210 76.500 48.050 1.00 0.00 C ATOM 394 C TYR A 25 80.040 75.220 48.270 1.00 0.00 C ATOM 395 O TYR A 25 81.190 75.310 48.730 1.00 0.00 O ATOM 396 CB TYR A 25 78.080 76.580 49.090 1.00 0.00 C ATOM 397 CG TYR A 25 78.610 76.660 50.500 1.00 0.00 C ATOM 398 CD1 TYR A 25 78.960 77.890 51.060 1.00 0.00 C ATOM 399 CD2 TYR A 25 78.740 75.510 51.260 1.00 0.00 C ATOM 400 CE1 TYR A 25 79.390 77.990 52.400 1.00 0.00 C ATOM 401 CE2 TYR A 25 79.150 75.590 52.600 1.00 0.00 C ATOM 402 CZ TYR A 25 79.340 76.820 53.220 1.00 0.00 C ATOM 403 OH TYR A 25 80.050 76.660 54.330 1.00 0.00 O ATOM 0 H TYR A 25 77.673 76.363 46.667 1.00 0.00 H new ATOM 0 HA TYR A 25 79.817 77.397 48.174 1.00 0.00 H new ATOM 0 HB2 TYR A 25 77.461 77.454 48.886 1.00 0.00 H new ATOM 0 HB3 TYR A 25 77.437 75.705 48.994 1.00 0.00 H new ATOM 0 HD1 TYR A 25 78.900 78.783 50.455 1.00 0.00 H new ATOM 0 HD2 TYR A 25 78.525 74.547 50.820 1.00 0.00 H new ATOM 0 HE1 TYR A 25 79.748 78.928 52.797 1.00 0.00 H new ATOM 0 HE2 TYR A 25 79.321 74.682 53.159 1.00 0.00 H new ATOM 0 HH TYR A 25 79.852 75.784 54.722 1.00 0.00 H new ATOM 413 N HIS A 26 79.480 74.030 47.940 1.00 0.00 N ATOM 414 CA HIS A 26 80.130 72.770 48.350 1.00 0.00 C ATOM 415 C HIS A 26 81.420 72.560 47.580 1.00 0.00 C ATOM 416 O HIS A 26 82.440 72.190 48.180 1.00 0.00 O ATOM 417 CB HIS A 26 79.220 71.560 48.150 1.00 0.00 C ATOM 418 CG HIS A 26 77.990 71.570 49.010 1.00 0.00 C ATOM 419 ND1 HIS A 26 77.710 72.290 50.120 1.00 0.00 N flip ATOM 420 CD2 HIS A 26 76.880 70.780 48.770 1.00 0.00 C flip ATOM 421 CE1 HIS A 26 76.450 71.950 50.540 1.00 0.00 C flip ATOM 422 NE2 HIS A 26 75.980 71.030 49.710 1.00 0.00 N flip ATOM 0 H HIS A 26 78.614 73.920 47.412 1.00 0.00 H new ATOM 0 HA HIS A 26 80.346 72.859 49.415 1.00 0.00 H new ATOM 0 HB2 HIS A 26 78.918 71.515 47.104 1.00 0.00 H new ATOM 0 HB3 HIS A 26 79.788 70.653 48.358 1.00 0.00 H new ATOM 0 HD2 HIS A 26 76.766 70.079 47.956 1.00 0.00 H new ATOM 0 HE1 HIS A 26 75.933 72.359 51.395 1.00 0.00 H new ATOM 0 HE2 HIS A 26 75.066 70.583 49.783 1.00 0.00 H new ATOM 430 N GLU A 27 81.330 72.850 46.280 1.00 0.00 N ATOM 431 CA GLU A 27 82.420 72.630 45.380 1.00 0.00 C ATOM 432 C GLU A 27 83.570 73.530 45.720 1.00 0.00 C ATOM 433 O GLU A 27 84.670 73.050 45.730 1.00 0.00 O ATOM 434 CB GLU A 27 82.000 72.850 43.930 1.00 0.00 C ATOM 435 CG GLU A 27 81.070 71.770 43.440 1.00 0.00 C ATOM 436 CD GLU A 27 80.610 71.990 42.020 1.00 0.00 C ATOM 437 OE1 GLU A 27 80.730 73.130 41.560 1.00 0.00 O ATOM 438 OE2 GLU A 27 80.190 71.010 41.370 1.00 0.00 O ATOM 0 H GLU A 27 80.496 73.241 45.842 1.00 0.00 H new ATOM 0 HA GLU A 27 82.732 71.591 45.489 1.00 0.00 H new ATOM 0 HB2 GLU A 27 81.510 73.819 43.838 1.00 0.00 H new ATOM 0 HB3 GLU A 27 82.887 72.880 43.297 1.00 0.00 H new ATOM 0 HG2 GLU A 27 81.574 70.806 43.508 1.00 0.00 H new ATOM 0 HG3 GLU A 27 80.200 71.722 44.095 1.00 0.00 H new ATOM 445 N PHE A 28 83.290 74.800 46.010 1.00 0.00 N ATOM 446 CA PHE A 28 84.320 75.760 46.360 1.00 0.00 C ATOM 447 C PHE A 28 85.090 75.200 47.570 1.00 0.00 C ATOM 448 O PHE A 28 86.340 75.160 47.560 1.00 0.00 O ATOM 449 CB PHE A 28 83.720 77.140 46.690 1.00 0.00 C ATOM 450 CG PHE A 28 84.760 78.130 47.160 1.00 0.00 C ATOM 451 CD1 PHE A 28 85.430 77.920 48.380 1.00 0.00 C ATOM 452 CD2 PHE A 28 85.070 79.250 46.380 1.00 0.00 C ATOM 453 CE1 PHE A 28 86.420 78.830 48.810 1.00 0.00 C ATOM 454 CE2 PHE A 28 86.080 80.120 46.810 1.00 0.00 C ATOM 455 CZ PHE A 28 86.730 79.950 48.030 1.00 0.00 C ATOM 0 H PHE A 28 82.345 75.185 46.007 1.00 0.00 H new ATOM 0 HA PHE A 28 84.990 75.905 45.512 1.00 0.00 H new ATOM 0 HB2 PHE A 28 83.221 77.536 45.805 1.00 0.00 H new ATOM 0 HB3 PHE A 28 82.958 77.026 47.461 1.00 0.00 H new ATOM 0 HD1 PHE A 28 85.186 77.061 48.988 1.00 0.00 H new ATOM 0 HD2 PHE A 28 84.538 79.441 45.460 1.00 0.00 H new ATOM 0 HE1 PHE A 28 86.939 78.662 49.742 1.00 0.00 H new ATOM 0 HE2 PHE A 28 86.363 80.948 46.176 1.00 0.00 H new ATOM 0 HZ PHE A 28 87.461 80.670 48.368 1.00 0.00 H new ATOM 465 N SER A 29 84.300 74.840 48.610 1.00 0.00 N ATOM 466 CA SER A 29 84.850 74.480 49.890 1.00 0.00 C ATOM 467 C SER A 29 85.730 73.280 49.810 1.00 0.00 C ATOM 468 O SER A 29 86.820 73.310 50.400 1.00 0.00 O ATOM 469 CB SER A 29 83.750 74.230 50.900 1.00 0.00 C ATOM 470 OG SER A 29 82.970 73.140 50.520 1.00 0.00 O ATOM 0 H SER A 29 83.282 74.799 48.563 1.00 0.00 H new ATOM 0 HA SER A 29 85.458 75.325 50.214 1.00 0.00 H new ATOM 0 HB2 SER A 29 84.186 74.047 51.882 1.00 0.00 H new ATOM 0 HB3 SER A 29 83.124 75.118 50.990 1.00 0.00 H new ATOM 0 HG SER A 29 82.754 73.209 49.567 1.00 0.00 H new ATOM 476 N GLU A 30 85.200 72.280 49.110 1.00 0.00 N ATOM 477 CA GLU A 30 85.780 70.960 48.940 1.00 0.00 C ATOM 478 C GLU A 30 86.960 71.080 47.940 1.00 0.00 C ATOM 479 O GLU A 30 88.060 70.550 48.180 1.00 0.00 O ATOM 480 CB GLU A 30 84.750 69.930 48.450 1.00 0.00 C ATOM 481 CG GLU A 30 83.660 69.640 49.490 1.00 0.00 C ATOM 482 CD GLU A 30 82.610 68.690 48.940 1.00 0.00 C ATOM 483 OE1 GLU A 30 82.800 68.080 47.870 1.00 0.00 O ATOM 484 OE2 GLU A 30 81.640 68.410 49.660 1.00 0.00 O ATOM 0 H GLU A 30 84.309 72.379 48.623 1.00 0.00 H new ATOM 0 HA GLU A 30 86.133 70.599 49.906 1.00 0.00 H new ATOM 0 HB2 GLU A 30 84.285 70.295 47.535 1.00 0.00 H new ATOM 0 HB3 GLU A 30 85.262 69.001 48.199 1.00 0.00 H new ATOM 0 HG2 GLU A 30 84.112 69.208 50.383 1.00 0.00 H new ATOM 0 HG3 GLU A 30 83.186 70.574 49.793 1.00 0.00 H new ATOM 491 N ASP A 31 86.760 71.780 46.810 1.00 0.00 N ATOM 492 CA ASP A 31 87.690 71.660 45.740 1.00 0.00 C ATOM 493 C ASP A 31 87.790 72.920 44.860 1.00 0.00 C ATOM 494 O ASP A 31 86.870 73.720 44.860 1.00 0.00 O ATOM 495 CB ASP A 31 87.320 70.430 44.900 1.00 0.00 C ATOM 496 CG ASP A 31 88.610 70.050 44.260 1.00 0.00 C ATOM 497 OD1 ASP A 31 89.650 70.700 44.460 1.00 0.00 O ATOM 498 OD2 ASP A 31 88.470 69.100 43.530 1.00 0.00 O ATOM 0 H ASP A 31 85.977 72.411 46.642 1.00 0.00 H new ATOM 0 HA ASP A 31 88.681 71.539 46.178 1.00 0.00 H new ATOM 0 HB2 ASP A 31 86.926 69.624 45.519 1.00 0.00 H new ATOM 0 HB3 ASP A 31 86.557 70.665 44.158 1.00 0.00 H new ATOM 503 N LYS A 32 88.840 73.180 44.070 1.00 0.00 N ATOM 504 CA LYS A 32 88.810 74.370 43.230 1.00 0.00 C ATOM 505 C LYS A 32 88.670 74.050 41.760 1.00 0.00 C ATOM 506 O LYS A 32 89.600 73.470 41.180 1.00 0.00 O ATOM 507 CB LYS A 32 90.010 75.260 43.500 1.00 0.00 C ATOM 508 CG LYS A 32 90.050 75.760 44.920 1.00 0.00 C ATOM 509 CD LYS A 32 91.290 76.630 45.160 1.00 0.00 C ATOM 510 CE LYS A 32 91.300 77.180 46.580 1.00 0.00 C ATOM 511 NZ LYS A 32 92.490 78.010 46.790 1.00 0.00 N ATOM 0 H LYS A 32 89.682 72.608 43.999 1.00 0.00 H new ATOM 0 HA LYS A 32 87.912 74.923 43.503 1.00 0.00 H new ATOM 0 HB2 LYS A 32 90.924 74.706 43.288 1.00 0.00 H new ATOM 0 HB3 LYS A 32 89.988 76.111 42.819 1.00 0.00 H new ATOM 0 HG2 LYS A 32 89.150 76.337 45.132 1.00 0.00 H new ATOM 0 HG3 LYS A 32 90.056 74.914 45.607 1.00 0.00 H new ATOM 0 HD2 LYS A 32 92.191 76.042 44.987 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.305 77.454 44.446 1.00 0.00 H new ATOM 0 HE2 LYS A 32 90.400 77.769 46.756 1.00 0.00 H new ATOM 0 HE3 LYS A 32 91.289 76.359 47.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 92.488 78.381 47.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.344 77.436 46.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 92.483 78.803 46.117 1.00 0.00 H new ATOM 525 N ARG A 33 87.540 74.340 41.100 1.00 0.00 N ATOM 526 CA ARG A 33 86.950 73.350 40.160 1.00 0.00 C ATOM 527 C ARG A 33 85.860 74.020 39.320 1.00 0.00 C ATOM 528 O ARG A 33 85.390 75.070 39.740 1.00 0.00 O ATOM 529 CB ARG A 33 86.350 72.150 40.890 1.00 0.00 C ATOM 530 CG ARG A 33 85.280 72.550 41.880 1.00 0.00 C ATOM 531 CD ARG A 33 84.590 71.310 42.490 1.00 0.00 C ATOM 532 NE ARG A 33 83.930 70.420 41.510 1.00 0.00 N ATOM 533 CZ ARG A 33 83.110 69.470 41.770 1.00 0.00 C ATOM 534 NH1 ARG A 33 83.060 69.060 42.990 1.00 0.00 N ATOM 535 NH2 ARG A 33 82.500 68.830 40.810 1.00 0.00 N ATOM 0 H ARG A 33 87.025 75.216 41.187 1.00 0.00 H new ATOM 0 HA ARG A 33 87.756 72.988 39.521 1.00 0.00 H new ATOM 0 HB2 ARG A 33 85.926 71.460 40.161 1.00 0.00 H new ATOM 0 HB3 ARG A 33 87.142 71.614 41.413 1.00 0.00 H new ATOM 0 HG2 ARG A 33 85.723 73.151 42.675 1.00 0.00 H new ATOM 0 HG3 ARG A 33 84.538 73.175 41.384 1.00 0.00 H new ATOM 0 HD2 ARG A 33 85.333 70.733 43.041 1.00 0.00 H new ATOM 0 HD3 ARG A 33 83.846 71.645 43.213 1.00 0.00 H new ATOM 0 HE ARG A 33 84.150 70.579 40.527 1.00 0.00 H new ATOM 0 HH11 ARG A 33 83.657 69.489 43.697 1.00 0.00 H new ATOM 0 HH12 ARG A 33 82.424 68.306 43.249 1.00 0.00 H new ATOM 0 HH21 ARG A 33 82.673 69.084 39.837 1.00 0.00 H new ATOM 0 HH22 ARG A 33 81.850 68.076 41.032 1.00 0.00 H new ATOM 549 N SER A 34 85.520 73.430 38.160 1.00 0.00 N ATOM 550 CA SER A 34 84.770 74.160 37.120 1.00 0.00 C ATOM 551 C SER A 34 83.630 73.220 36.740 1.00 0.00 C ATOM 552 O SER A 34 83.760 71.990 36.870 1.00 0.00 O ATOM 553 CB SER A 34 85.600 74.540 35.880 1.00 0.00 C ATOM 554 OG SER A 34 85.900 73.380 35.140 1.00 0.00 O ATOM 0 H SER A 34 85.748 72.465 37.920 1.00 0.00 H new ATOM 0 HA SER A 34 84.436 75.122 37.509 1.00 0.00 H new ATOM 0 HB2 SER A 34 85.046 75.246 35.261 1.00 0.00 H new ATOM 0 HB3 SER A 34 86.521 75.038 36.184 1.00 0.00 H new ATOM 0 HG SER A 34 86.157 73.631 34.228 1.00 0.00 H new ATOM 560 N ILE A 35 82.530 73.740 36.250 1.00 0.00 N ATOM 561 CA ILE A 35 81.360 72.970 35.900 1.00 0.00 C ATOM 562 C ILE A 35 80.860 73.440 34.550 1.00 0.00 C ATOM 563 O ILE A 35 81.220 74.510 34.070 1.00 0.00 O ATOM 564 CB ILE A 35 80.260 73.100 36.960 1.00 0.00 C ATOM 565 CG1 ILE A 35 79.770 74.540 37.050 1.00 0.00 C ATOM 566 CG2 ILE A 35 80.790 72.660 38.320 1.00 0.00 C ATOM 567 CD1 ILE A 35 78.520 74.650 37.920 1.00 0.00 C ATOM 0 H ILE A 35 82.421 74.740 36.079 1.00 0.00 H new ATOM 0 HA ILE A 35 81.630 71.915 35.852 1.00 0.00 H new ATOM 0 HB ILE A 35 79.427 72.460 36.669 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.559 75.169 37.463 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.553 74.915 36.050 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.001 72.756 39.066 1.00 0.00 H new ATOM 0 HG22 ILE A 35 81.113 71.621 38.266 1.00 0.00 H new ATOM 0 HG23 ILE A 35 81.635 73.288 38.602 1.00 0.00 H new ATOM 0 HD11 ILE A 35 78.197 75.690 37.963 1.00 0.00 H new ATOM 0 HD12 ILE A 35 77.724 74.040 37.492 1.00 0.00 H new ATOM 0 HD13 ILE A 35 78.745 74.298 38.927 1.00 0.00 H new ATOM 579 N PHE A 36 80.030 72.610 33.940 1.00 0.00 N ATOM 580 CA PHE A 36 79.190 72.860 32.800 1.00 0.00 C ATOM 581 C PHE A 36 77.770 72.750 33.360 1.00 0.00 C ATOM 582 O PHE A 36 77.390 71.830 34.020 1.00 0.00 O ATOM 583 CB PHE A 36 79.430 71.840 31.690 1.00 0.00 C ATOM 584 CG PHE A 36 80.760 71.960 31.030 1.00 0.00 C ATOM 585 CD1 PHE A 36 81.870 71.290 31.570 1.00 0.00 C ATOM 586 CD2 PHE A 36 80.910 72.740 29.890 1.00 0.00 C ATOM 587 CE1 PHE A 36 83.120 71.420 30.970 1.00 0.00 C ATOM 588 CE2 PHE A 36 82.150 72.860 29.310 1.00 0.00 C ATOM 589 CZ PHE A 36 83.270 72.200 29.860 1.00 0.00 C ATOM 0 H PHE A 36 79.924 71.651 34.271 1.00 0.00 H new ATOM 0 HA PHE A 36 79.388 73.829 32.342 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.332 70.837 32.106 1.00 0.00 H new ATOM 0 HB3 PHE A 36 78.651 71.950 30.936 1.00 0.00 H new ATOM 0 HD1 PHE A 36 81.754 70.674 32.450 1.00 0.00 H new ATOM 0 HD2 PHE A 36 80.058 73.248 29.463 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.973 70.902 31.384 1.00 0.00 H new ATOM 0 HE2 PHE A 36 82.269 73.466 28.424 1.00 0.00 H new ATOM 0 HZ PHE A 36 84.243 72.312 29.404 1.00 0.00 H new ATOM 599 N TYR A 37 76.980 73.770 33.210 1.00 0.00 N ATOM 600 CA TYR A 37 75.570 73.890 33.340 1.00 0.00 C ATOM 601 C TYR A 37 74.790 73.510 32.070 1.00 0.00 C ATOM 602 O TYR A 37 74.800 74.140 31.050 1.00 0.00 O ATOM 603 CB TYR A 37 75.280 75.330 33.730 1.00 0.00 C ATOM 604 CG TYR A 37 74.070 75.430 34.630 1.00 0.00 C ATOM 605 CD1 TYR A 37 72.780 75.340 34.100 1.00 0.00 C ATOM 606 CD2 TYR A 37 74.250 75.590 36.010 1.00 0.00 C ATOM 607 CE1 TYR A 37 71.660 75.420 34.950 1.00 0.00 C ATOM 608 CE2 TYR A 37 73.130 75.670 36.820 1.00 0.00 C ATOM 609 CZ TYR A 37 71.840 75.580 36.310 1.00 0.00 C ATOM 610 OH TYR A 37 70.720 75.560 37.060 1.00 0.00 O ATOM 0 H TYR A 37 77.381 74.672 32.954 1.00 0.00 H new ATOM 0 HA TYR A 37 75.232 73.183 34.098 1.00 0.00 H new ATOM 0 HB2 TYR A 37 76.147 75.752 34.238 1.00 0.00 H new ATOM 0 HB3 TYR A 37 75.116 75.925 32.831 1.00 0.00 H new ATOM 0 HD1 TYR A 37 72.642 75.209 33.037 1.00 0.00 H new ATOM 0 HD2 TYR A 37 75.242 75.650 36.433 1.00 0.00 H new ATOM 0 HE1 TYR A 37 70.663 75.356 34.540 1.00 0.00 H new ATOM 0 HE2 TYR A 37 73.263 75.807 37.883 1.00 0.00 H new ATOM 0 HH TYR A 37 70.956 75.680 38.004 1.00 0.00 H new ATOM 620 N PHE A 38 73.990 72.480 32.110 1.00 0.00 N ATOM 621 CA PHE A 38 73.220 71.870 31.050 1.00 0.00 C ATOM 622 C PHE A 38 71.760 72.220 31.160 1.00 0.00 C ATOM 623 O PHE A 38 71.010 71.620 31.940 1.00 0.00 O ATOM 624 CB PHE A 38 73.480 70.370 31.070 1.00 0.00 C ATOM 625 CG PHE A 38 72.610 69.630 30.090 1.00 0.00 C ATOM 626 CD1 PHE A 38 71.230 69.540 30.240 1.00 0.00 C ATOM 627 CD2 PHE A 38 73.160 69.000 28.980 1.00 0.00 C ATOM 628 CE1 PHE A 38 70.430 68.880 29.360 1.00 0.00 C ATOM 629 CE2 PHE A 38 72.320 68.350 28.090 1.00 0.00 C ATOM 630 CZ PHE A 38 70.960 68.270 28.260 1.00 0.00 C ATOM 0 H PHE A 38 73.842 71.987 32.990 1.00 0.00 H new ATOM 0 HA PHE A 38 73.534 72.260 30.082 1.00 0.00 H new ATOM 0 HB2 PHE A 38 74.528 70.181 30.838 1.00 0.00 H new ATOM 0 HB3 PHE A 38 73.302 69.985 32.074 1.00 0.00 H new ATOM 0 HD1 PHE A 38 70.773 70.016 31.095 1.00 0.00 H new ATOM 0 HD2 PHE A 38 74.227 69.017 28.813 1.00 0.00 H new ATOM 0 HE1 PHE A 38 69.365 68.838 29.533 1.00 0.00 H new ATOM 0 HE2 PHE A 38 72.757 67.883 27.220 1.00 0.00 H new ATOM 0 HZ PHE A 38 70.335 67.746 27.552 1.00 0.00 H new ATOM 640 N ALA A 39 71.340 73.310 30.560 1.00 0.00 N ATOM 641 CA ALA A 39 70.020 73.830 30.890 1.00 0.00 C ATOM 642 C ALA A 39 69.450 74.280 29.580 1.00 0.00 C ATOM 643 O ALA A 39 70.240 74.660 28.720 1.00 0.00 O ATOM 644 CB ALA A 39 70.020 74.990 31.890 1.00 0.00 C ATOM 0 H ALA A 39 71.865 73.842 29.866 1.00 0.00 H new ATOM 0 HA ALA A 39 69.438 73.054 31.386 1.00 0.00 H new ATOM 0 HB1 ALA A 39 68.995 75.311 32.075 1.00 0.00 H new ATOM 0 HB2 ALA A 39 70.472 74.663 32.826 1.00 0.00 H new ATOM 0 HB3 ALA A 39 70.593 75.823 31.481 1.00 0.00 H new ATOM 650 N PRO A 40 68.110 74.260 29.430 1.00 0.00 N ATOM 651 CA PRO A 40 67.670 73.600 28.200 1.00 0.00 C ATOM 652 C PRO A 40 68.110 74.240 26.920 1.00 0.00 C ATOM 653 O PRO A 40 68.170 75.470 26.870 1.00 0.00 O ATOM 654 CB PRO A 40 66.170 73.610 28.330 1.00 0.00 C ATOM 655 CG PRO A 40 65.910 73.620 29.840 1.00 0.00 C ATOM 656 CD PRO A 40 66.960 74.590 30.370 1.00 0.00 C ATOM 0 HA PRO A 40 68.119 72.610 28.120 1.00 0.00 H new ATOM 0 HB2 PRO A 40 65.737 74.486 27.848 1.00 0.00 H new ATOM 0 HB3 PRO A 40 65.726 72.734 27.858 1.00 0.00 H new ATOM 0 HG2 PRO A 40 64.899 73.955 30.072 1.00 0.00 H new ATOM 0 HG3 PRO A 40 66.024 72.627 30.274 1.00 0.00 H new ATOM 0 HD2 PRO A 40 66.644 75.630 30.295 1.00 0.00 H new ATOM 0 HD3 PRO A 40 67.209 74.407 31.415 1.00 0.00 H new ATOM 664 N THR A 41 68.280 73.400 25.900 1.00 0.00 N ATOM 665 CA THR A 41 68.140 73.950 24.570 1.00 0.00 C ATOM 666 C THR A 41 66.760 74.480 24.210 1.00 0.00 C ATOM 667 O THR A 41 66.670 75.550 23.630 1.00 0.00 O ATOM 668 CB THR A 41 68.550 72.900 23.570 1.00 0.00 C ATOM 669 OG1 THR A 41 69.890 72.600 23.780 1.00 0.00 O ATOM 670 CG2 THR A 41 68.360 73.380 22.140 1.00 0.00 C ATOM 0 H THR A 41 68.499 72.406 25.964 1.00 0.00 H new ATOM 0 HA THR A 41 68.787 74.827 24.547 1.00 0.00 H new ATOM 0 HB THR A 41 67.923 72.020 23.709 1.00 0.00 H new ATOM 0 HG1 THR A 41 70.409 72.850 22.987 1.00 0.00 H new ATOM 0 HG21 THR A 41 68.667 72.595 21.449 1.00 0.00 H new ATOM 0 HG22 THR A 41 67.310 73.620 21.973 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.967 74.269 21.971 1.00 0.00 H new ATOM 678 N ASN A 42 65.730 73.730 24.560 1.00 0.00 N ATOM 679 CA ASN A 42 64.330 73.950 24.200 1.00 0.00 C ATOM 680 C ASN A 42 63.660 75.210 24.750 1.00 0.00 C ATOM 681 O ASN A 42 63.120 75.990 23.990 1.00 0.00 O ATOM 682 CB ASN A 42 63.600 72.690 24.650 1.00 0.00 C ATOM 683 CG ASN A 42 64.060 71.490 23.830 1.00 0.00 C ATOM 684 OD1 ASN A 42 64.520 71.610 22.720 1.00 0.00 O ATOM 685 ND2 ASN A 42 63.950 70.280 24.380 1.00 0.00 N ATOM 0 H ASN A 42 65.850 72.899 25.139 1.00 0.00 H new ATOM 0 HA ASN A 42 64.282 74.133 23.126 1.00 0.00 H new ATOM 0 HB2 ASN A 42 63.790 72.510 25.708 1.00 0.00 H new ATOM 0 HB3 ASN A 42 62.524 72.825 24.537 1.00 0.00 H new ATOM 0 HD21 ASN A 42 64.255 69.455 23.863 1.00 0.00 H new ATOM 0 HD22 ASN A 42 63.561 70.179 25.318 1.00 0.00 H new ATOM 692 N ALA A 43 63.880 75.550 26.030 1.00 0.00 N ATOM 693 CA ALA A 43 63.220 76.710 26.650 1.00 0.00 C ATOM 694 C ALA A 43 64.180 77.920 26.730 1.00 0.00 C ATOM 695 O ALA A 43 63.780 79.050 26.510 1.00 0.00 O ATOM 696 CB ALA A 43 62.700 76.330 28.050 1.00 0.00 C ATOM 0 H ALA A 43 64.507 75.041 26.653 1.00 0.00 H new ATOM 0 HA ALA A 43 62.374 77.002 26.027 1.00 0.00 H new ATOM 0 HB1 ALA A 43 62.213 77.193 28.504 1.00 0.00 H new ATOM 0 HB2 ALA A 43 61.984 75.513 27.963 1.00 0.00 H new ATOM 0 HB3 ALA A 43 63.535 76.015 28.675 1.00 0.00 H new ATOM 702 N HIS A 44 65.430 77.600 27.060 1.00 0.00 N ATOM 703 CA HIS A 44 66.480 78.410 27.630 1.00 0.00 C ATOM 704 C HIS A 44 66.150 79.010 28.990 1.00 0.00 C ATOM 705 O HIS A 44 66.710 80.040 29.380 1.00 0.00 O ATOM 706 CB HIS A 44 66.780 79.430 26.650 1.00 0.00 C ATOM 707 CG HIS A 44 67.390 78.970 25.330 1.00 0.00 C ATOM 708 ND1 HIS A 44 68.680 78.520 25.240 1.00 0.00 N ATOM 709 CD2 HIS A 44 66.830 78.890 24.090 1.00 0.00 C ATOM 710 CE1 HIS A 44 68.880 78.140 23.990 1.00 0.00 C ATOM 711 NE2 HIS A 44 67.790 78.360 23.260 1.00 0.00 N ATOM 0 H HIS A 44 65.760 76.646 26.911 1.00 0.00 H new ATOM 0 HA HIS A 44 67.344 77.779 27.840 1.00 0.00 H new ATOM 0 HB2 HIS A 44 65.858 79.966 26.427 1.00 0.00 H new ATOM 0 HB3 HIS A 44 67.463 80.147 27.106 1.00 0.00 H new ATOM 0 HD2 HIS A 44 65.829 79.185 23.813 1.00 0.00 H new ATOM 0 HE1 HIS A 44 69.798 77.712 23.615 1.00 0.00 H new ATOM 0 HE2 HIS A 44 67.685 78.170 22.263 1.00 0.00 H new ATOM 719 N LYS A 45 65.210 78.410 29.760 1.00 0.00 N ATOM 720 CA LYS A 45 64.600 79.260 30.790 1.00 0.00 C ATOM 721 C LYS A 45 65.440 79.060 32.060 1.00 0.00 C ATOM 722 O LYS A 45 65.800 80.030 32.740 1.00 0.00 O ATOM 723 CB LYS A 45 63.120 78.910 31.050 1.00 0.00 C ATOM 724 CG LYS A 45 62.220 79.200 29.850 1.00 0.00 C ATOM 725 CD LYS A 45 60.770 78.840 30.140 1.00 0.00 C ATOM 726 CE LYS A 45 59.850 79.120 28.960 1.00 0.00 C ATOM 727 NZ LYS A 45 58.460 78.790 29.250 1.00 0.00 N ATOM 0 H LYS A 45 64.888 77.444 29.698 1.00 0.00 H new ATOM 0 HA LYS A 45 64.596 80.300 30.463 1.00 0.00 H new ATOM 0 HB2 LYS A 45 63.042 77.854 31.309 1.00 0.00 H new ATOM 0 HB3 LYS A 45 62.764 79.477 31.910 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.289 80.256 29.589 1.00 0.00 H new ATOM 0 HG3 LYS A 45 62.570 78.635 28.986 1.00 0.00 H new ATOM 0 HD2 LYS A 45 60.707 77.784 30.402 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.426 79.405 31.006 1.00 0.00 H new ATOM 0 HE2 LYS A 45 59.922 80.173 28.688 1.00 0.00 H new ATOM 0 HE3 LYS A 45 60.185 78.545 28.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 57.873 78.998 28.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 58.385 77.779 29.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.130 79.357 30.057 1.00 0.00 H new ATOM 741 N ASP A 46 65.740 77.780 32.320 1.00 0.00 N ATOM 742 CA ASP A 46 66.610 77.450 33.440 1.00 0.00 C ATOM 743 C ASP A 46 67.990 78.090 33.160 1.00 0.00 C ATOM 744 O ASP A 46 68.620 78.670 34.050 1.00 0.00 O ATOM 745 CB ASP A 46 66.730 75.930 33.670 1.00 0.00 C ATOM 746 CG ASP A 46 65.400 75.360 34.100 1.00 0.00 C ATOM 747 OD1 ASP A 46 64.570 76.250 34.240 1.00 0.00 O ATOM 748 OD2 ASP A 46 65.340 74.080 34.140 1.00 0.00 O ATOM 0 H ASP A 46 65.401 76.982 31.783 1.00 0.00 H new ATOM 0 HA ASP A 46 66.182 77.847 34.361 1.00 0.00 H new ATOM 0 HB2 ASP A 46 67.064 75.442 32.754 1.00 0.00 H new ATOM 0 HB3 ASP A 46 67.483 75.729 34.432 1.00 0.00 H new ATOM 753 N MET A 47 68.460 78.020 31.900 1.00 0.00 N ATOM 754 CA MET A 47 69.750 78.670 31.600 1.00 0.00 C ATOM 755 C MET A 47 69.850 80.220 31.820 1.00 0.00 C ATOM 756 O MET A 47 70.840 80.700 32.360 1.00 0.00 O ATOM 757 CB MET A 47 70.120 78.320 30.170 1.00 0.00 C ATOM 758 CG MET A 47 71.490 78.870 29.800 1.00 0.00 C ATOM 759 SD MET A 47 71.880 78.510 28.080 1.00 0.00 S ATOM 760 CE MET A 47 70.780 79.730 27.290 1.00 0.00 C ATOM 0 H MET A 47 68.001 77.552 31.118 1.00 0.00 H new ATOM 0 HA MET A 47 70.450 78.279 32.339 1.00 0.00 H new ATOM 0 HB2 MET A 47 70.116 77.237 30.046 1.00 0.00 H new ATOM 0 HB3 MET A 47 69.369 78.722 29.490 1.00 0.00 H new ATOM 0 HG2 MET A 47 71.511 79.947 29.965 1.00 0.00 H new ATOM 0 HG3 MET A 47 72.249 78.434 30.449 1.00 0.00 H new ATOM 0 HE1 MET A 47 70.956 79.736 26.214 1.00 0.00 H new ATOM 0 HE2 MET A 47 69.741 79.464 27.486 1.00 0.00 H new ATOM 0 HE3 MET A 47 70.984 80.721 27.697 1.00 0.00 H new ATOM 770 N LEU A 48 68.840 80.990 31.400 1.00 0.00 N ATOM 771 CA LEU A 48 68.800 82.450 31.620 1.00 0.00 C ATOM 772 C LEU A 48 68.780 82.670 33.140 1.00 0.00 C ATOM 773 O LEU A 48 69.390 83.570 33.690 1.00 0.00 O ATOM 774 CB LEU A 48 67.580 83.120 30.960 1.00 0.00 C ATOM 775 CG LEU A 48 67.640 83.110 29.430 1.00 0.00 C ATOM 776 CD1 LEU A 48 66.360 83.670 28.860 1.00 0.00 C ATOM 777 CD2 LEU A 48 68.810 83.930 28.920 1.00 0.00 C ATOM 0 H LEU A 48 68.029 80.626 30.900 1.00 0.00 H new ATOM 0 HA LEU A 48 69.673 82.910 31.157 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.673 82.609 31.285 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.507 84.151 31.308 1.00 0.00 H new ATOM 0 HG LEU A 48 67.771 82.077 29.109 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.411 83.659 27.771 1.00 0.00 H new ATOM 0 HD12 LEU A 48 65.518 83.061 29.190 1.00 0.00 H new ATOM 0 HD13 LEU A 48 66.225 84.695 29.207 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.826 83.903 27.830 1.00 0.00 H new ATOM 0 HD22 LEU A 48 68.705 84.962 29.256 1.00 0.00 H new ATOM 0 HD23 LEU A 48 69.741 83.515 29.306 1.00 0.00 H new ATOM 789 N LYS A 49 68.090 81.820 33.890 1.00 0.00 N ATOM 790 CA LYS A 49 68.130 81.960 35.350 1.00 0.00 C ATOM 791 C LYS A 49 69.460 81.680 36.060 1.00 0.00 C ATOM 792 O LYS A 49 69.780 82.300 37.070 1.00 0.00 O ATOM 793 CB LYS A 49 67.040 81.050 35.880 1.00 0.00 C ATOM 794 CG LYS A 49 65.650 81.620 35.570 1.00 0.00 C ATOM 795 CD LYS A 49 64.560 80.700 36.110 1.00 0.00 C ATOM 796 CE LYS A 49 63.170 81.270 35.830 1.00 0.00 C ATOM 797 NZ LYS A 49 62.130 80.360 36.360 1.00 0.00 N ATOM 0 H LYS A 49 67.516 81.054 33.536 1.00 0.00 H new ATOM 0 HA LYS A 49 67.984 83.018 35.570 1.00 0.00 H new ATOM 0 HB2 LYS A 49 67.139 80.060 35.434 1.00 0.00 H new ATOM 0 HB3 LYS A 49 67.155 80.928 36.957 1.00 0.00 H new ATOM 0 HG2 LYS A 49 65.550 82.611 36.014 1.00 0.00 H new ATOM 0 HG3 LYS A 49 65.532 81.740 34.493 1.00 0.00 H new ATOM 0 HD2 LYS A 49 64.651 79.715 35.652 1.00 0.00 H new ATOM 0 HD3 LYS A 49 64.692 80.566 37.184 1.00 0.00 H new ATOM 0 HE2 LYS A 49 63.072 82.253 36.290 1.00 0.00 H new ATOM 0 HE3 LYS A 49 63.033 81.405 34.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 61.189 80.757 36.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 62.216 79.430 35.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 62.254 80.252 37.387 1.00 0.00 H new ATOM 811 N ALA A 50 70.190 80.740 35.500 1.00 0.00 N ATOM 812 CA ALA A 50 71.520 80.450 35.980 1.00 0.00 C ATOM 813 C ALA A 50 72.470 81.650 36.000 1.00 0.00 C ATOM 814 O ALA A 50 73.240 81.880 36.930 1.00 0.00 O ATOM 815 CB ALA A 50 72.070 79.320 35.140 1.00 0.00 C ATOM 0 H ALA A 50 69.885 80.166 34.714 1.00 0.00 H new ATOM 0 HA ALA A 50 71.444 80.165 37.029 1.00 0.00 H new ATOM 0 HB1 ALA A 50 73.077 79.074 35.476 1.00 0.00 H new ATOM 0 HB2 ALA A 50 71.429 78.445 35.243 1.00 0.00 H new ATOM 0 HB3 ALA A 50 72.101 79.626 34.094 1.00 0.00 H new ATOM 821 N VAL A 51 72.380 82.450 34.940 1.00 0.00 N ATOM 822 CA VAL A 51 73.200 83.680 34.850 1.00 0.00 C ATOM 823 C VAL A 51 72.880 84.590 36.080 1.00 0.00 C ATOM 824 O VAL A 51 73.750 85.140 36.760 1.00 0.00 O ATOM 825 CB VAL A 51 72.960 84.440 33.530 1.00 0.00 C ATOM 826 CG1 VAL A 51 73.770 85.740 33.490 1.00 0.00 C ATOM 827 CG2 VAL A 51 73.360 83.590 32.320 1.00 0.00 C ATOM 0 H VAL A 51 71.766 82.284 34.143 1.00 0.00 H new ATOM 0 HA VAL A 51 74.253 83.398 34.860 1.00 0.00 H new ATOM 0 HB VAL A 51 71.894 84.665 33.485 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.583 86.257 32.549 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.472 86.380 34.321 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.832 85.510 33.572 1.00 0.00 H new ATOM 0 HG21 VAL A 51 73.179 84.153 31.404 1.00 0.00 H new ATOM 0 HG22 VAL A 51 74.418 83.336 32.387 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.768 82.675 32.306 1.00 0.00 H new ATOM 837 N ASP A 52 71.600 84.740 36.360 1.00 0.00 N ATOM 838 CA ASP A 52 71.110 85.510 37.510 1.00 0.00 C ATOM 839 C ASP A 52 71.510 84.920 38.880 1.00 0.00 C ATOM 840 O ASP A 52 71.900 85.630 39.810 1.00 0.00 O ATOM 841 CB ASP A 52 69.580 85.640 37.380 1.00 0.00 C ATOM 842 CG ASP A 52 69.270 86.610 36.240 1.00 0.00 C ATOM 843 OD1 ASP A 52 70.240 87.350 35.880 1.00 0.00 O ATOM 844 OD2 ASP A 52 68.060 86.520 35.810 1.00 0.00 O ATOM 0 H ASP A 52 70.855 84.330 35.796 1.00 0.00 H new ATOM 0 HA ASP A 52 71.587 86.490 37.487 1.00 0.00 H new ATOM 0 HB2 ASP A 52 69.133 84.666 37.181 1.00 0.00 H new ATOM 0 HB3 ASP A 52 69.150 86.003 38.314 1.00 0.00 H new ATOM 849 N PHE A 53 71.450 83.600 39.020 1.00 0.00 N ATOM 850 CA PHE A 53 71.860 82.890 40.230 1.00 0.00 C ATOM 851 C PHE A 53 73.300 83.150 40.580 1.00 0.00 C ATOM 852 O PHE A 53 73.650 83.400 41.730 1.00 0.00 O ATOM 853 CB PHE A 53 71.640 81.390 40.060 1.00 0.00 C ATOM 854 CG PHE A 53 70.180 81.050 39.920 1.00 0.00 C ATOM 855 CD1 PHE A 53 69.210 81.830 40.550 1.00 0.00 C ATOM 856 CD2 PHE A 53 69.780 79.950 39.160 1.00 0.00 C ATOM 857 CE1 PHE A 53 67.850 81.520 40.420 1.00 0.00 C ATOM 858 CE2 PHE A 53 68.420 79.630 39.030 1.00 0.00 C ATOM 859 CZ PHE A 53 67.460 80.430 39.660 1.00 0.00 C ATOM 0 H PHE A 53 71.109 82.981 38.284 1.00 0.00 H new ATOM 0 HA PHE A 53 71.244 83.266 41.047 1.00 0.00 H new ATOM 0 HB2 PHE A 53 72.180 81.041 39.180 1.00 0.00 H new ATOM 0 HB3 PHE A 53 72.055 80.862 40.919 1.00 0.00 H new ATOM 0 HD1 PHE A 53 69.510 82.681 41.144 1.00 0.00 H new ATOM 0 HD2 PHE A 53 70.523 79.340 38.668 1.00 0.00 H new ATOM 0 HE1 PHE A 53 67.107 82.130 40.912 1.00 0.00 H new ATOM 0 HE2 PHE A 53 68.116 78.772 38.448 1.00 0.00 H new ATOM 0 HZ PHE A 53 66.411 80.196 39.553 1.00 0.00 H new ATOM 869 N PHE A 54 74.110 83.110 39.550 1.00 0.00 N ATOM 870 CA PHE A 54 75.520 83.280 39.740 1.00 0.00 C ATOM 871 C PHE A 54 75.820 84.630 40.270 1.00 0.00 C ATOM 872 O PHE A 54 76.550 84.680 41.150 1.00 0.00 O ATOM 873 CB PHE A 54 76.250 83.080 38.420 1.00 0.00 C ATOM 874 CG PHE A 54 76.180 81.650 37.940 1.00 0.00 C ATOM 875 CD1 PHE A 54 76.110 80.610 38.870 1.00 0.00 C ATOM 876 CD2 PHE A 54 76.180 81.360 36.580 1.00 0.00 C ATOM 877 CE1 PHE A 54 76.050 79.290 38.440 1.00 0.00 C ATOM 878 CE2 PHE A 54 76.120 80.030 36.140 1.00 0.00 C ATOM 879 CZ PHE A 54 76.050 78.990 37.080 1.00 0.00 C ATOM 0 H PHE A 54 73.817 82.963 38.584 1.00 0.00 H new ATOM 0 HA PHE A 54 75.859 82.537 40.462 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.818 83.736 37.665 1.00 0.00 H new ATOM 0 HB3 PHE A 54 77.294 83.372 38.536 1.00 0.00 H new ATOM 0 HD1 PHE A 54 76.102 80.833 39.927 1.00 0.00 H new ATOM 0 HD2 PHE A 54 76.226 82.163 35.859 1.00 0.00 H new ATOM 0 HE1 PHE A 54 76.003 78.491 39.165 1.00 0.00 H new ATOM 0 HE2 PHE A 54 76.128 79.807 35.083 1.00 0.00 H new ATOM 0 HZ PHE A 54 75.996 77.963 36.750 1.00 0.00 H new ATOM 889 N LYS A 55 75.210 85.690 39.770 1.00 0.00 N ATOM 890 CA LYS A 55 75.410 87.070 40.230 1.00 0.00 C ATOM 891 C LYS A 55 74.970 87.230 41.630 1.00 0.00 C ATOM 892 O LYS A 55 75.630 87.930 42.390 1.00 0.00 O ATOM 893 CB LYS A 55 74.640 88.050 39.360 1.00 0.00 C ATOM 894 CG LYS A 55 75.220 88.080 37.950 1.00 0.00 C ATOM 895 CD LYS A 55 74.440 89.050 37.060 1.00 0.00 C ATOM 896 CE LYS A 55 75.030 89.080 35.650 1.00 0.00 C ATOM 897 NZ LYS A 55 74.280 90.030 34.800 1.00 0.00 N ATOM 0 H LYS A 55 74.537 85.621 39.006 1.00 0.00 H new ATOM 0 HA LYS A 55 76.477 87.282 40.159 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.589 87.764 39.322 1.00 0.00 H new ATOM 0 HB3 LYS A 55 74.683 89.047 39.799 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.268 88.379 37.990 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.190 87.080 37.518 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.393 88.750 37.016 1.00 0.00 H new ATOM 0 HD3 LYS A 55 74.467 90.050 37.492 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.080 89.371 35.694 1.00 0.00 H new ATOM 0 HE3 LYS A 55 74.994 88.083 35.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 74.691 90.041 33.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.284 89.735 34.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.336 90.983 35.212 1.00 0.00 H new ATOM 911 N GLU A 56 73.870 86.580 41.930 1.00 0.00 N ATOM 912 CA GLU A 56 73.360 86.670 43.260 1.00 0.00 C ATOM 913 C GLU A 56 74.360 86.260 44.240 1.00 0.00 C ATOM 914 O GLU A 56 74.430 87.020 45.240 1.00 0.00 O ATOM 915 CB GLU A 56 72.030 85.950 43.320 1.00 0.00 C ATOM 916 CG GLU A 56 70.970 86.740 42.550 1.00 0.00 C ATOM 917 CD GLU A 56 69.650 86.000 42.520 1.00 0.00 C ATOM 918 OE1 GLU A 56 69.580 84.880 43.080 1.00 0.00 O ATOM 919 OE2 GLU A 56 68.670 86.540 41.980 1.00 0.00 O ATOM 0 H GLU A 56 73.331 86.001 41.286 1.00 0.00 H new ATOM 0 HA GLU A 56 73.153 87.703 43.538 1.00 0.00 H new ATOM 0 HB2 GLU A 56 72.129 84.951 42.896 1.00 0.00 H new ATOM 0 HB3 GLU A 56 71.721 85.827 44.358 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.832 87.716 43.014 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.314 86.917 41.531 1.00 0.00 H new ATOM 926 N LYS A 57 75.010 85.060 44.050 1.00 0.00 N ATOM 927 CA LYS A 57 75.930 84.340 45.000 1.00 0.00 C ATOM 928 C LYS A 57 77.390 84.330 44.670 1.00 0.00 C ATOM 929 O LYS A 57 77.690 83.900 43.610 1.00 0.00 O ATOM 930 CB LYS A 57 75.380 82.910 45.140 1.00 0.00 C ATOM 931 CG LYS A 57 74.080 82.760 45.900 1.00 0.00 C ATOM 932 CD LYS A 57 73.580 81.440 46.120 1.00 0.00 C ATOM 933 CE LYS A 57 72.250 81.440 46.860 1.00 0.00 C ATOM 934 NZ LYS A 57 71.800 80.020 47.040 1.00 0.00 N ATOM 0 H LYS A 57 74.898 84.542 43.179 1.00 0.00 H new ATOM 0 HA LYS A 57 75.922 84.902 45.934 1.00 0.00 H new ATOM 0 HB2 LYS A 57 75.241 82.498 44.140 1.00 0.00 H new ATOM 0 HB3 LYS A 57 76.137 82.300 45.633 1.00 0.00 H new ATOM 0 HG2 LYS A 57 74.205 83.236 46.873 1.00 0.00 H new ATOM 0 HG3 LYS A 57 73.314 83.322 45.366 1.00 0.00 H new ATOM 0 HD2 LYS A 57 73.459 80.935 45.161 1.00 0.00 H new ATOM 0 HD3 LYS A 57 74.311 80.868 46.692 1.00 0.00 H new ATOM 0 HE2 LYS A 57 72.356 81.928 47.829 1.00 0.00 H new ATOM 0 HE3 LYS A 57 71.505 82.004 46.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 70.790 79.943 46.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 72.350 79.399 46.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 71.947 79.732 48.028 1.00 0.00 H new ATOM 948 N GLY A 58 78.300 84.580 45.610 1.00 0.00 N ATOM 949 CA GLY A 58 79.680 84.820 45.370 1.00 0.00 C ATOM 950 C GLY A 58 80.600 83.670 44.960 1.00 0.00 C ATOM 951 O GLY A 58 81.590 84.010 44.370 1.00 0.00 O ATOM 0 H GLY A 58 78.060 84.618 46.601 1.00 0.00 H new ATOM 0 HA2 GLY A 58 79.745 85.580 44.591 1.00 0.00 H new ATOM 0 HA3 GLY A 58 80.095 85.258 46.278 1.00 0.00 H new ATOM 955 N HIS A 59 80.250 82.390 45.000 1.00 0.00 N ATOM 956 CA HIS A 59 81.230 81.280 44.830 1.00 0.00 C ATOM 957 C HIS A 59 82.020 81.120 43.500 1.00 0.00 C ATOM 958 O HIS A 59 83.210 80.810 43.480 1.00 0.00 O ATOM 959 CB HIS A 59 80.510 79.990 45.170 1.00 0.00 C ATOM 960 CG HIS A 59 79.970 79.960 46.580 1.00 0.00 C ATOM 961 ND1 HIS A 59 78.690 80.040 47.030 1.00 0.00 N flip ATOM 962 CD2 HIS A 59 80.790 79.840 47.690 1.00 0.00 C flip ATOM 963 CE1 HIS A 59 78.730 79.980 48.400 1.00 0.00 C flip ATOM 964 NE2 HIS A 59 80.010 79.860 48.770 1.00 0.00 N flip ATOM 0 H HIS A 59 79.291 82.075 45.149 1.00 0.00 H new ATOM 0 HA HIS A 59 82.043 81.552 45.503 1.00 0.00 H new ATOM 0 HB2 HIS A 59 79.687 79.846 44.470 1.00 0.00 H new ATOM 0 HB3 HIS A 59 81.195 79.153 45.033 1.00 0.00 H new ATOM 0 HD1 HIS A 59 77.853 80.128 46.454 1.00 0.00 H new ATOM 0 HD2 HIS A 59 81.866 79.747 47.682 1.00 0.00 H new ATOM 0 HE1 HIS A 59 77.878 80.022 49.063 1.00 0.00 H new ATOM 972 N THR A 60 81.400 81.270 42.350 1.00 0.00 N ATOM 973 CA THR A 60 82.120 81.180 41.100 1.00 0.00 C ATOM 974 C THR A 60 83.050 82.360 41.010 1.00 0.00 C ATOM 975 O THR A 60 82.820 83.410 41.620 1.00 0.00 O ATOM 976 CB THR A 60 81.170 81.150 39.900 1.00 0.00 C ATOM 977 OG1 THR A 60 81.920 80.910 38.730 1.00 0.00 O ATOM 978 CG2 THR A 60 80.440 82.480 39.730 1.00 0.00 C ATOM 0 H THR A 60 80.401 81.454 42.255 1.00 0.00 H new ATOM 0 HA THR A 60 82.685 80.248 41.076 1.00 0.00 H new ATOM 0 HB THR A 60 80.435 80.364 40.071 1.00 0.00 H new ATOM 0 HG1 THR A 60 82.727 80.402 38.957 1.00 0.00 H new ATOM 0 HG21 THR A 60 79.774 82.422 38.869 1.00 0.00 H new ATOM 0 HG22 THR A 60 79.857 82.692 40.626 1.00 0.00 H new ATOM 0 HG23 THR A 60 81.167 83.277 39.574 1.00 0.00 H new ATOM 986 N ALA A 61 84.080 82.150 40.220 1.00 0.00 N ATOM 987 CA ALA A 61 84.990 83.160 39.770 1.00 0.00 C ATOM 988 C ALA A 61 84.640 83.660 38.410 1.00 0.00 C ATOM 989 O ALA A 61 84.790 84.860 38.160 1.00 0.00 O ATOM 990 CB ALA A 61 86.380 82.590 39.780 1.00 0.00 C ATOM 0 H ALA A 61 84.310 81.223 39.861 1.00 0.00 H new ATOM 0 HA ALA A 61 84.927 84.014 40.444 1.00 0.00 H new ATOM 0 HB1 ALA A 61 87.086 83.347 39.440 1.00 0.00 H new ATOM 0 HB2 ALA A 61 86.639 82.281 40.793 1.00 0.00 H new ATOM 0 HB3 ALA A 61 86.424 81.727 39.115 1.00 0.00 H new ATOM 996 N TYR A 62 84.210 82.750 37.550 1.00 0.00 N ATOM 997 CA TYR A 62 84.010 83.100 36.150 1.00 0.00 C ATOM 998 C TYR A 62 82.800 82.480 35.460 1.00 0.00 C ATOM 999 O TYR A 62 82.550 81.300 35.630 1.00 0.00 O ATOM 1000 CB TYR A 62 85.280 82.730 35.400 1.00 0.00 C ATOM 1001 CG TYR A 62 85.210 83.070 33.940 1.00 0.00 C ATOM 1002 CD1 TYR A 62 85.400 84.390 33.510 1.00 0.00 C ATOM 1003 CD2 TYR A 62 84.950 82.070 32.990 1.00 0.00 C ATOM 1004 CE1 TYR A 62 85.340 84.710 32.150 1.00 0.00 C ATOM 1005 CE2 TYR A 62 84.900 82.390 31.630 1.00 0.00 C ATOM 1006 CZ TYR A 62 85.080 83.710 31.200 1.00 0.00 C ATOM 1007 OH TYR A 62 85.010 84.000 29.890 1.00 0.00 O ATOM 0 H TYR A 62 83.996 81.782 37.788 1.00 0.00 H new ATOM 0 HA TYR A 62 83.795 84.168 36.132 1.00 0.00 H new ATOM 0 HB2 TYR A 62 86.127 83.249 35.849 1.00 0.00 H new ATOM 0 HB3 TYR A 62 85.465 81.662 35.512 1.00 0.00 H new ATOM 0 HD1 TYR A 62 85.594 85.167 34.235 1.00 0.00 H new ATOM 0 HD2 TYR A 62 84.788 81.051 33.310 1.00 0.00 H new ATOM 0 HE1 TYR A 62 85.494 85.730 31.830 1.00 0.00 H new ATOM 0 HE2 TYR A 62 84.721 81.611 30.904 1.00 0.00 H new ATOM 0 HH TYR A 62 84.999 83.169 29.371 1.00 0.00 H new ATOM 1017 N LEU A 63 82.040 83.210 34.640 1.00 0.00 N ATOM 1018 CA LEU A 63 80.930 82.640 33.870 1.00 0.00 C ATOM 1019 C LEU A 63 81.200 82.940 32.420 1.00 0.00 C ATOM 1020 O LEU A 63 81.450 84.090 32.110 1.00 0.00 O ATOM 1021 CB LEU A 63 79.570 83.230 34.280 1.00 0.00 C ATOM 1022 CG LEU A 63 78.400 82.680 33.440 1.00 0.00 C ATOM 1023 CD1 LEU A 63 78.280 81.190 33.670 1.00 0.00 C ATOM 1024 CD2 LEU A 63 77.100 83.350 33.860 1.00 0.00 C ATOM 0 H LEU A 63 82.175 84.210 34.491 1.00 0.00 H new ATOM 0 HA LEU A 63 80.872 81.568 34.059 1.00 0.00 H new ATOM 0 HB2 LEU A 63 79.388 83.014 35.333 1.00 0.00 H new ATOM 0 HB3 LEU A 63 79.605 84.315 34.179 1.00 0.00 H new ATOM 0 HG LEU A 63 78.589 82.884 32.386 1.00 0.00 H new ATOM 0 HD11 LEU A 63 77.454 80.796 33.078 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.207 80.700 33.371 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.093 80.999 34.727 1.00 0.00 H new ATOM 0 HD21 LEU A 63 76.278 82.956 33.262 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.911 83.148 34.914 1.00 0.00 H new ATOM 0 HD23 LEU A 63 77.179 84.426 33.705 1.00 0.00 H new ATOM 1036 N ASP A 64 81.120 81.950 31.540 1.00 0.00 N ATOM 1037 CA ASP A 64 81.070 82.080 30.070 1.00 0.00 C ATOM 1038 C ASP A 64 80.070 81.110 29.420 1.00 0.00 C ATOM 1039 O ASP A 64 79.660 80.180 30.030 1.00 0.00 O ATOM 1040 CB ASP A 64 82.450 81.830 29.460 1.00 0.00 C ATOM 1041 CG ASP A 64 82.520 82.530 28.100 1.00 0.00 C ATOM 1042 OD1 ASP A 64 81.400 82.950 27.660 1.00 0.00 O ATOM 1043 OD2 ASP A 64 83.710 82.600 27.590 1.00 0.00 O ATOM 0 H ASP A 64 81.086 80.975 31.839 1.00 0.00 H new ATOM 0 HA ASP A 64 80.740 83.099 29.869 1.00 0.00 H new ATOM 0 HB2 ASP A 64 83.229 82.209 30.121 1.00 0.00 H new ATOM 0 HB3 ASP A 64 82.624 80.760 29.344 1.00 0.00 H new ATOM 1048 N GLU A 65 79.630 81.210 28.170 1.00 0.00 N ATOM 1049 CA GLU A 65 78.900 80.150 27.480 1.00 0.00 C ATOM 1050 C GLU A 65 79.780 78.980 27.050 1.00 0.00 C ATOM 1051 O GLU A 65 81.000 79.070 27.140 1.00 0.00 O ATOM 1052 CB GLU A 65 78.180 80.730 26.270 1.00 0.00 C ATOM 1053 CG GLU A 65 77.010 81.620 26.700 1.00 0.00 C ATOM 1054 CD GLU A 65 76.300 82.210 25.490 1.00 0.00 C ATOM 1055 OE1 GLU A 65 76.750 81.950 24.350 1.00 0.00 O ATOM 1056 OE2 GLU A 65 75.290 82.920 25.680 1.00 0.00 O ATOM 0 H GLU A 65 79.772 82.042 27.598 1.00 0.00 H new ATOM 0 HA GLU A 65 78.184 79.747 28.196 1.00 0.00 H new ATOM 0 HB2 GLU A 65 78.881 81.310 25.669 1.00 0.00 H new ATOM 0 HB3 GLU A 65 77.813 79.921 25.639 1.00 0.00 H new ATOM 0 HG2 GLU A 65 76.304 81.038 27.292 1.00 0.00 H new ATOM 0 HG3 GLU A 65 77.376 82.424 27.339 1.00 0.00 H new ATOM 1063 N VAL A 66 79.190 77.880 26.540 1.00 0.00 N ATOM 1064 CA VAL A 66 79.980 77.090 25.620 1.00 0.00 C ATOM 1065 C VAL A 66 79.600 77.440 24.190 1.00 0.00 C ATOM 1066 O VAL A 66 78.440 77.350 23.840 1.00 0.00 O ATOM 1067 CB VAL A 66 79.840 75.580 25.880 1.00 0.00 C ATOM 1068 CG1 VAL A 66 80.700 74.790 24.890 1.00 0.00 C ATOM 1069 CG2 VAL A 66 80.290 75.210 27.300 1.00 0.00 C ATOM 0 H VAL A 66 78.245 77.550 26.737 1.00 0.00 H new ATOM 0 HA VAL A 66 81.030 77.333 25.781 1.00 0.00 H new ATOM 0 HB VAL A 66 78.786 75.330 25.758 1.00 0.00 H new ATOM 0 HG11 VAL A 66 80.592 73.723 25.085 1.00 0.00 H new ATOM 0 HG12 VAL A 66 80.376 75.008 23.872 1.00 0.00 H new ATOM 0 HG13 VAL A 66 81.745 75.076 25.007 1.00 0.00 H new ATOM 0 HG21 VAL A 66 80.178 74.136 27.449 1.00 0.00 H new ATOM 0 HG22 VAL A 66 81.335 75.488 27.434 1.00 0.00 H new ATOM 0 HG23 VAL A 66 79.677 75.743 28.027 1.00 0.00 H new ATOM 1079 N ARG A 67 80.600 77.750 23.330 1.00 0.00 N ATOM 1080 CA ARG A 67 80.430 77.580 21.870 1.00 0.00 C ATOM 1081 C ARG A 67 80.760 76.170 21.370 1.00 0.00 C ATOM 1082 O ARG A 67 81.680 76.070 20.770 1.00 0.00 O ATOM 1083 CB ARG A 67 81.100 78.720 21.150 1.00 0.00 C ATOM 1084 CG ARG A 67 80.490 80.050 21.230 1.00 0.00 C ATOM 1085 CD ARG A 67 80.600 80.580 22.650 1.00 0.00 C ATOM 1086 NE ARG A 67 82.000 80.900 23.000 1.00 0.00 N ATOM 1087 CZ ARG A 67 82.350 81.390 24.170 1.00 0.00 C ATOM 1088 NH1 ARG A 67 81.460 81.530 25.100 1.00 0.00 N ATOM 1089 NH2 ARG A 67 83.600 81.650 24.400 1.00 0.00 N ATOM 0 H ARG A 67 81.511 78.110 23.614 1.00 0.00 H new ATOM 0 HA ARG A 67 79.371 77.646 21.621 1.00 0.00 H new ATOM 0 HB2 ARG A 67 82.119 78.799 21.529 1.00 0.00 H new ATOM 0 HB3 ARG A 67 81.172 78.451 20.096 1.00 0.00 H new ATOM 0 HG2 ARG A 67 80.986 80.730 20.538 1.00 0.00 H new ATOM 0 HG3 ARG A 67 79.443 79.999 20.931 1.00 0.00 H new ATOM 0 HD2 ARG A 67 79.984 81.473 22.755 1.00 0.00 H new ATOM 0 HD3 ARG A 67 80.209 79.839 23.348 1.00 0.00 H new ATOM 0 HE ARG A 67 82.727 80.734 22.304 1.00 0.00 H new ATOM 0 HH11 ARG A 67 80.492 81.261 24.924 1.00 0.00 H new ATOM 0 HH12 ARG A 67 81.727 81.909 26.008 1.00 0.00 H new ATOM 0 HH21 ARG A 67 84.299 81.474 23.678 1.00 0.00 H new ATOM 0 HH22 ARG A 67 83.884 82.030 25.303 1.00 0.00 H new ATOM 1103 N VAL A 68 79.950 75.170 21.640 1.00 0.00 N ATOM 1104 CA VAL A 68 79.080 74.290 20.780 1.00 0.00 C ATOM 1105 C VAL A 68 77.650 74.880 20.920 1.00 0.00 C ATOM 1106 O VAL A 68 76.640 74.200 20.730 1.00 0.00 O ATOM 1107 CB VAL A 68 79.090 72.790 21.180 1.00 0.00 C ATOM 1108 CG1 VAL A 68 80.500 72.210 21.100 1.00 0.00 C ATOM 1109 CG2 VAL A 68 78.580 72.630 22.610 1.00 0.00 C ATOM 0 H VAL A 68 79.848 74.886 22.614 1.00 0.00 H new ATOM 0 HA VAL A 68 79.455 74.293 19.757 1.00 0.00 H new ATOM 0 HB VAL A 68 78.443 72.256 20.484 1.00 0.00 H new ATOM 0 HG11 VAL A 68 80.478 71.158 21.385 1.00 0.00 H new ATOM 0 HG12 VAL A 68 80.874 72.301 20.080 1.00 0.00 H new ATOM 0 HG13 VAL A 68 81.157 72.756 21.777 1.00 0.00 H new ATOM 0 HG21 VAL A 68 78.590 71.575 22.884 1.00 0.00 H new ATOM 0 HG22 VAL A 68 79.224 73.187 23.290 1.00 0.00 H new ATOM 0 HG23 VAL A 68 77.562 73.013 22.678 1.00 0.00 H new ATOM 1119 N SER A 69 77.560 76.170 21.270 1.00 0.00 N ATOM 1120 CA SER A 69 76.310 76.920 21.320 1.00 0.00 C ATOM 1121 C SER A 69 75.720 77.000 19.950 1.00 0.00 C ATOM 1122 O SER A 69 74.530 76.910 19.790 1.00 0.00 O ATOM 1123 CB SER A 69 76.520 78.340 21.840 1.00 0.00 C ATOM 1124 OG SER A 69 77.420 78.980 21.030 1.00 0.00 O ATOM 0 H SER A 69 78.374 76.727 21.530 1.00 0.00 H new ATOM 0 HA SER A 69 75.641 76.396 22.002 1.00 0.00 H new ATOM 0 HB2 SER A 69 75.574 78.881 21.853 1.00 0.00 H new ATOM 0 HB3 SER A 69 76.887 78.315 22.866 1.00 0.00 H new ATOM 0 HG SER A 69 77.328 79.949 21.141 1.00 0.00 H new ATOM 1130 N THR A 70 76.520 77.150 18.900 1.00 0.00 N ATOM 1131 CA THR A 70 75.880 77.090 17.630 1.00 0.00 C ATOM 1132 C THR A 70 75.180 75.740 17.360 1.00 0.00 C ATOM 1133 O THR A 70 74.060 75.660 16.880 1.00 0.00 O ATOM 1134 CB THR A 70 76.870 77.420 16.540 1.00 0.00 C ATOM 1135 OG1 THR A 70 77.370 78.740 16.730 1.00 0.00 O ATOM 1136 CG2 THR A 70 76.220 77.350 15.170 1.00 0.00 C ATOM 0 H THR A 70 77.529 77.301 18.910 1.00 0.00 H new ATOM 0 HA THR A 70 75.086 77.836 17.636 1.00 0.00 H new ATOM 0 HB THR A 70 77.678 76.690 16.592 1.00 0.00 H new ATOM 0 HG1 THR A 70 78.014 78.951 16.022 1.00 0.00 H new ATOM 0 HG21 THR A 70 76.957 77.593 14.405 1.00 0.00 H new ATOM 0 HG22 THR A 70 75.838 76.344 15.000 1.00 0.00 H new ATOM 0 HG23 THR A 70 75.398 78.064 15.121 1.00 0.00 H new ATOM 1144 N ASP A 71 75.850 74.640 17.680 1.00 0.00 N ATOM 1145 CA ASP A 71 75.260 73.300 17.490 1.00 0.00 C ATOM 1146 C ASP A 71 74.140 72.820 18.420 1.00 0.00 C ATOM 1147 O ASP A 71 73.110 72.310 17.960 1.00 0.00 O ATOM 1148 CB ASP A 71 76.440 72.320 17.530 1.00 0.00 C ATOM 1149 CG ASP A 71 77.240 72.490 16.220 1.00 0.00 C ATOM 1150 OD1 ASP A 71 76.650 73.180 15.330 1.00 0.00 O ATOM 1151 OD2 ASP A 71 78.400 71.930 16.280 1.00 0.00 O ATOM 0 H ASP A 71 76.793 74.637 18.069 1.00 0.00 H new ATOM 0 HA ASP A 71 74.717 73.355 16.546 1.00 0.00 H new ATOM 0 HB2 ASP A 71 77.074 72.521 18.394 1.00 0.00 H new ATOM 0 HB3 ASP A 71 76.082 71.295 17.629 1.00 0.00 H new ATOM 1156 N GLU A 72 74.390 73.020 19.710 1.00 0.00 N ATOM 1157 CA GLU A 72 73.710 72.320 20.820 1.00 0.00 C ATOM 1158 C GLU A 72 73.110 73.160 21.950 1.00 0.00 C ATOM 1159 O GLU A 72 72.090 72.820 22.510 1.00 0.00 O ATOM 1160 CB GLU A 72 74.710 71.330 21.400 1.00 0.00 C ATOM 1161 CG GLU A 72 74.990 70.200 20.410 1.00 0.00 C ATOM 1162 CD GLU A 72 76.020 69.230 20.910 1.00 0.00 C ATOM 1163 OE1 GLU A 72 76.550 69.440 21.950 1.00 0.00 O ATOM 1164 OE2 GLU A 72 76.380 68.270 20.230 1.00 0.00 O ATOM 0 H GLU A 72 75.089 73.690 20.032 1.00 0.00 H new ATOM 0 HA GLU A 72 72.826 71.867 20.371 1.00 0.00 H new ATOM 0 HB2 GLU A 72 75.639 71.845 21.643 1.00 0.00 H new ATOM 0 HB3 GLU A 72 74.321 70.916 22.331 1.00 0.00 H new ATOM 0 HG2 GLU A 72 74.063 69.665 20.205 1.00 0.00 H new ATOM 0 HG3 GLU A 72 75.327 70.626 19.465 1.00 0.00 H new ATOM 1171 N LYS A 73 73.770 74.260 22.240 1.00 0.00 N ATOM 1172 CA LYS A 73 73.260 75.510 22.800 1.00 0.00 C ATOM 1173 C LYS A 73 72.420 75.240 24.040 1.00 0.00 C ATOM 1174 O LYS A 73 71.310 75.670 24.200 1.00 0.00 O ATOM 1175 CB LYS A 73 72.410 76.260 21.770 1.00 0.00 C ATOM 1176 CG LYS A 73 71.950 77.610 22.300 1.00 0.00 C ATOM 1177 CD LYS A 73 71.140 78.370 21.260 1.00 0.00 C ATOM 1178 CE LYS A 73 70.670 79.720 21.800 1.00 0.00 C ATOM 1179 NZ LYS A 73 69.920 80.450 20.760 1.00 0.00 N ATOM 0 H LYS A 73 74.775 74.315 22.077 1.00 0.00 H new ATOM 0 HA LYS A 73 74.118 76.125 23.073 1.00 0.00 H new ATOM 0 HB2 LYS A 73 72.987 76.404 20.857 1.00 0.00 H new ATOM 0 HB3 LYS A 73 71.541 75.657 21.506 1.00 0.00 H new ATOM 0 HG2 LYS A 73 71.348 77.464 23.197 1.00 0.00 H new ATOM 0 HG3 LYS A 73 72.817 78.202 22.592 1.00 0.00 H new ATOM 0 HD2 LYS A 73 71.745 78.524 20.366 1.00 0.00 H new ATOM 0 HD3 LYS A 73 70.277 77.775 20.962 1.00 0.00 H new ATOM 0 HE2 LYS A 73 70.039 79.570 22.676 1.00 0.00 H new ATOM 0 HE3 LYS A 73 71.528 80.310 22.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 69.605 81.366 21.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 70.534 80.608 19.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 69.091 79.891 20.473 1.00 0.00 H new ATOM 1193 N ASP A 74 72.920 74.580 25.000 1.00 0.00 N ATOM 1194 CA ASP A 74 72.490 74.440 26.380 1.00 0.00 C ATOM 1195 C ASP A 74 73.610 74.440 27.430 1.00 0.00 C ATOM 1196 O ASP A 74 73.250 74.350 28.620 1.00 0.00 O ATOM 1197 CB ASP A 74 71.670 73.170 26.500 1.00 0.00 C ATOM 1198 CG ASP A 74 72.490 71.980 25.950 1.00 0.00 C ATOM 1199 OD1 ASP A 74 73.530 72.260 25.280 1.00 0.00 O ATOM 1200 OD2 ASP A 74 71.960 70.860 26.290 1.00 0.00 O ATOM 0 H ASP A 74 73.767 74.035 24.841 1.00 0.00 H new ATOM 0 HA ASP A 74 71.906 75.332 26.605 1.00 0.00 H new ATOM 0 HB2 ASP A 74 71.403 72.992 27.542 1.00 0.00 H new ATOM 0 HB3 ASP A 74 70.737 73.272 25.945 1.00 0.00 H new ATOM 1205 N PHE A 75 74.900 74.560 27.080 1.00 0.00 N ATOM 1206 CA PHE A 75 75.950 74.550 28.120 1.00 0.00 C ATOM 1207 C PHE A 75 76.410 75.970 28.400 1.00 0.00 C ATOM 1208 O PHE A 75 76.790 76.710 27.500 1.00 0.00 O ATOM 1209 CB PHE A 75 77.150 73.680 27.740 1.00 0.00 C ATOM 1210 CG PHE A 75 76.850 72.210 27.830 1.00 0.00 C ATOM 1211 CD1 PHE A 75 76.280 71.550 26.750 1.00 0.00 C ATOM 1212 CD2 PHE A 75 77.140 71.480 28.980 1.00 0.00 C ATOM 1213 CE1 PHE A 75 76.020 70.200 26.860 1.00 0.00 C ATOM 1214 CE2 PHE A 75 76.880 70.120 29.080 1.00 0.00 C ATOM 1215 CZ PHE A 75 76.320 69.460 27.990 1.00 0.00 C ATOM 0 H PHE A 75 75.237 74.662 26.123 1.00 0.00 H new ATOM 0 HA PHE A 75 75.510 74.114 29.017 1.00 0.00 H new ATOM 0 HB2 PHE A 75 77.462 73.922 26.724 1.00 0.00 H new ATOM 0 HB3 PHE A 75 77.988 73.917 28.396 1.00 0.00 H new ATOM 0 HD1 PHE A 75 76.045 72.083 25.841 1.00 0.00 H new ATOM 0 HD2 PHE A 75 77.582 71.990 29.823 1.00 0.00 H new ATOM 0 HE1 PHE A 75 75.560 69.696 26.023 1.00 0.00 H new ATOM 0 HE2 PHE A 75 77.109 69.583 29.989 1.00 0.00 H new ATOM 0 HZ PHE A 75 76.125 68.398 28.025 1.00 0.00 H new ATOM 1225 N LEU A 76 76.370 76.300 29.670 1.00 0.00 N ATOM 1226 CA LEU A 76 77.100 77.370 30.350 1.00 0.00 C ATOM 1227 C LEU A 76 78.380 76.880 31.030 1.00 0.00 C ATOM 1228 O LEU A 76 78.360 75.910 31.750 1.00 0.00 O ATOM 1229 CB LEU A 76 76.160 77.990 31.370 1.00 0.00 C ATOM 1230 CG LEU A 76 75.000 78.760 30.750 1.00 0.00 C ATOM 1231 CD1 LEU A 76 74.080 79.310 31.840 1.00 0.00 C ATOM 1232 CD2 LEU A 76 75.430 79.850 29.820 1.00 0.00 C ATOM 0 H LEU A 76 75.775 75.786 30.320 1.00 0.00 H new ATOM 0 HA LEU A 76 77.420 78.103 29.609 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.761 77.202 32.008 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.728 78.663 32.012 1.00 0.00 H new ATOM 0 HG LEU A 76 74.451 78.044 30.138 1.00 0.00 H new ATOM 0 HD11 LEU A 76 73.257 79.857 31.380 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.682 78.485 32.431 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.644 79.981 32.488 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.551 80.353 29.418 1.00 0.00 H new ATOM 0 HD22 LEU A 76 76.044 80.570 30.362 1.00 0.00 H new ATOM 0 HD23 LEU A 76 76.009 79.423 29.002 1.00 0.00 H new ATOM 1244 N TYR A 77 79.500 77.520 30.840 1.00 0.00 N ATOM 1245 CA TYR A 77 80.730 77.030 31.370 1.00 0.00 C ATOM 1246 C TYR A 77 81.140 77.960 32.510 1.00 0.00 C ATOM 1247 O TYR A 77 81.490 79.130 32.330 1.00 0.00 O ATOM 1248 CB TYR A 77 81.810 76.980 30.290 1.00 0.00 C ATOM 1249 CG TYR A 77 83.060 76.430 30.880 1.00 0.00 C ATOM 1250 CD1 TYR A 77 83.030 75.300 31.760 1.00 0.00 C ATOM 1251 CD2 TYR A 77 84.320 77.040 30.630 1.00 0.00 C ATOM 1252 CE1 TYR A 77 84.240 74.760 32.290 1.00 0.00 C ATOM 1253 CE2 TYR A 77 85.550 76.460 31.070 1.00 0.00 C ATOM 1254 CZ TYR A 77 85.510 75.340 31.950 1.00 0.00 C ATOM 1255 OH TYR A 77 86.660 74.730 32.330 1.00 0.00 O ATOM 0 H TYR A 77 79.580 78.391 30.315 1.00 0.00 H new ATOM 0 HA TYR A 77 80.605 76.011 31.738 1.00 0.00 H new ATOM 0 HB2 TYR A 77 81.481 76.358 29.457 1.00 0.00 H new ATOM 0 HB3 TYR A 77 81.990 77.978 29.891 1.00 0.00 H new ATOM 0 HD1 TYR A 77 82.083 74.853 32.025 1.00 0.00 H new ATOM 0 HD2 TYR A 77 84.349 77.974 30.089 1.00 0.00 H new ATOM 0 HE1 TYR A 77 84.201 73.908 32.952 1.00 0.00 H new ATOM 0 HE2 TYR A 77 86.496 76.865 30.740 1.00 0.00 H new ATOM 0 HH TYR A 77 87.427 75.254 32.018 1.00 0.00 H new ATOM 1265 N GLU A 78 81.100 77.430 33.710 1.00 0.00 N ATOM 1266 CA GLU A 78 81.230 78.240 34.930 1.00 0.00 C ATOM 1267 C GLU A 78 82.220 77.720 35.980 1.00 0.00 C ATOM 1268 O GLU A 78 82.160 76.550 36.370 1.00 0.00 O ATOM 1269 CB GLU A 78 79.840 78.390 35.560 1.00 0.00 C ATOM 1270 CG GLU A 78 79.870 79.260 36.810 1.00 0.00 C ATOM 1271 CD GLU A 78 79.950 78.410 38.070 1.00 0.00 C ATOM 1272 OE1 GLU A 78 80.950 77.720 38.250 1.00 0.00 O ATOM 1273 OE2 GLU A 78 79.020 78.500 38.880 1.00 0.00 O ATOM 0 H GLU A 78 80.978 76.432 33.883 1.00 0.00 H new ATOM 0 HA GLU A 78 81.651 79.193 34.610 1.00 0.00 H new ATOM 0 HB2 GLU A 78 79.157 78.826 34.831 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.449 77.405 35.814 1.00 0.00 H new ATOM 0 HG2 GLU A 78 80.726 79.933 36.767 1.00 0.00 H new ATOM 0 HG3 GLU A 78 78.976 79.883 36.844 1.00 0.00 H new ATOM 1280 N LEU A 79 83.170 78.570 36.430 1.00 0.00 N ATOM 1281 CA LEU A 79 84.380 78.080 37.070 1.00 0.00 C ATOM 1282 C LEU A 79 84.400 78.580 38.530 1.00 0.00 C ATOM 1283 O LEU A 79 84.270 79.800 38.740 1.00 0.00 O ATOM 1284 CB LEU A 79 85.640 78.520 36.310 1.00 0.00 C ATOM 1285 CG LEU A 79 85.740 77.940 34.890 1.00 0.00 C ATOM 1286 CD1 LEU A 79 84.620 78.480 34.010 1.00 0.00 C ATOM 1287 CD2 LEU A 79 87.070 78.330 34.260 1.00 0.00 C ATOM 0 H LEU A 79 83.110 79.586 36.356 1.00 0.00 H new ATOM 0 HA LEU A 79 84.379 76.990 37.057 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.656 79.608 36.250 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.520 78.219 36.879 1.00 0.00 H new ATOM 0 HG LEU A 79 85.660 76.856 34.964 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.708 78.058 33.009 1.00 0.00 H new ATOM 0 HD12 LEU A 79 83.656 78.203 34.437 1.00 0.00 H new ATOM 0 HD13 LEU A 79 84.693 79.566 33.953 1.00 0.00 H new ATOM 0 HD21 LEU A 79 87.132 77.915 33.254 1.00 0.00 H new ATOM 0 HD22 LEU A 79 87.144 79.416 34.209 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.888 77.939 34.865 1.00 0.00 H new ATOM 1299 N HIS A 80 84.590 77.720 39.530 1.00 0.00 N ATOM 1300 CA HIS A 80 84.450 78.130 40.890 1.00 0.00 C ATOM 1301 C HIS A 80 85.800 78.440 41.410 1.00 0.00 C ATOM 1302 O HIS A 80 86.680 77.590 41.220 1.00 0.00 O ATOM 1303 CB HIS A 80 83.770 77.100 41.770 1.00 0.00 C ATOM 1304 CG HIS A 80 82.440 76.640 41.220 1.00 0.00 C ATOM 1305 ND1 HIS A 80 81.190 76.980 41.620 1.00 0.00 N flip ATOM 1306 CD2 HIS A 80 82.340 75.770 40.160 1.00 0.00 C flip ATOM 1307 CE1 HIS A 80 80.320 76.290 40.800 1.00 0.00 C flip ATOM 1308 NE2 HIS A 80 81.040 75.580 39.940 1.00 0.00 N flip ATOM 0 H HIS A 80 84.841 76.739 39.404 1.00 0.00 H new ATOM 0 HA HIS A 80 83.801 79.005 40.914 1.00 0.00 H new ATOM 0 HB2 HIS A 80 84.427 76.238 41.885 1.00 0.00 H new ATOM 0 HB3 HIS A 80 83.620 77.522 42.764 1.00 0.00 H new ATOM 0 HD1 HIS A 80 80.942 77.618 42.376 1.00 0.00 H new ATOM 0 HD2 HIS A 80 83.158 75.326 39.612 1.00 0.00 H new ATOM 0 HE1 HIS A 80 79.242 76.322 40.849 1.00 0.00 H new ATOM 1316 N ILE A 81 85.920 79.650 42.000 1.00 0.00 N ATOM 1317 CA ILE A 81 87.260 80.240 42.250 1.00 0.00 C ATOM 1318 C ILE A 81 88.370 79.830 41.270 1.00 0.00 C ATOM 1319 O ILE A 81 89.300 79.140 41.680 1.00 0.00 O ATOM 1320 CB ILE A 81 87.710 79.880 43.670 1.00 0.00 C ATOM 1321 CG1 ILE A 81 88.890 80.750 44.120 1.00 0.00 C ATOM 1322 CG2 ILE A 81 88.070 78.420 43.810 1.00 0.00 C ATOM 1323 CD1 ILE A 81 89.160 80.540 45.590 1.00 0.00 C ATOM 0 H ILE A 81 85.134 80.224 42.305 1.00 0.00 H new ATOM 0 HA ILE A 81 87.124 81.312 42.106 1.00 0.00 H new ATOM 0 HB ILE A 81 86.855 80.077 44.317 1.00 0.00 H new ATOM 0 HG12 ILE A 81 89.778 80.499 43.540 1.00 0.00 H new ATOM 0 HG13 ILE A 81 88.671 81.801 43.929 1.00 0.00 H new ATOM 0 HG21 ILE A 81 88.382 78.219 44.835 1.00 0.00 H new ATOM 0 HG22 ILE A 81 87.202 77.806 43.568 1.00 0.00 H new ATOM 0 HG23 ILE A 81 88.886 78.180 43.129 1.00 0.00 H new ATOM 0 HD11 ILE A 81 90.000 81.163 45.898 1.00 0.00 H new ATOM 0 HD12 ILE A 81 88.275 80.813 46.165 1.00 0.00 H new ATOM 0 HD13 ILE A 81 89.400 79.492 45.770 1.00 0.00 H new ATOM 1335 N ILE A 82 88.310 80.200 40.000 1.00 0.00 N ATOM 1336 CA ILE A 82 89.370 80.100 38.930 1.00 0.00 C ATOM 1337 C ILE A 82 90.770 80.590 39.310 1.00 0.00 C ATOM 1338 O ILE A 82 91.680 80.490 38.470 1.00 0.00 O ATOM 1339 CB ILE A 82 88.840 80.780 37.650 1.00 0.00 C ATOM 1340 CG1 ILE A 82 89.770 80.530 36.450 1.00 0.00 C ATOM 1341 CG2 ILE A 82 88.730 82.290 37.890 1.00 0.00 C ATOM 1342 CD1 ILE A 82 89.150 81.010 35.150 1.00 0.00 C ATOM 1343 OXT ILE A 82 91.090 81.110 40.370 1.00 0.00 O ATOM 0 H ILE A 82 87.457 80.618 39.629 1.00 0.00 H new ATOM 0 HA ILE A 82 89.539 79.036 38.766 1.00 0.00 H new ATOM 0 HB ILE A 82 87.863 80.354 37.420 1.00 0.00 H new ATOM 0 HG12 ILE A 82 90.719 81.042 36.612 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.991 79.465 36.376 1.00 0.00 H new ATOM 0 HG21 ILE A 82 88.356 82.775 36.989 1.00 0.00 H new ATOM 0 HG22 ILE A 82 88.043 82.478 38.715 1.00 0.00 H new ATOM 0 HG23 ILE A 82 89.713 82.692 38.137 1.00 0.00 H new ATOM 0 HD11 ILE A 82 89.837 80.816 34.326 1.00 0.00 H new ATOM 0 HD12 ILE A 82 88.214 80.479 34.975 1.00 0.00 H new ATOM 0 HD13 ILE A 82 88.953 82.080 35.214 1.00 0.00 H new