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 34 SER OG : rot 172:sc= 0.0486 USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= 0.0496 USER MOD Set 2.1: A 60 THR OG1 : rot 15:sc= 1.11 USER MOD Set 2.2: A 80 HIS : no HE2:sc= -1.1 K(o=0.0086,f=-4.6!) USER MOD Set 3.1: A 44 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.25) USER MOD Set 3.2: A 47 MET CE :methyl -120:sc=-0.00166 (180deg=-0.226) 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= -1.41 X(o=-1.4,f=-1.7!) USER MOD Single : A 11 THR OG1 : rot -160:sc= -1.03 USER MOD Single : A 18 SER OG : rot 28:sc= 0.262 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.9!) USER MOD Single : A 29 SER OG : rot -38:sc= 0.583 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 160:sc= -1.06 USER MOD Single : A 41 THR OG1 : rot -86:sc= 0.378 USER MOD Single : A 42 ASN : amide:sc=-0.00201 K(o=-0.002,f=-1.3!) 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+ -129:sc= -1.47 (180deg=-3.59!) USER MOD Single : A 59 HIS : no HE2:sc= -3.03 X(o=-3,f=-2.9!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -87:sc= -0.164 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 ----------------------------------------------------------------- ATOM 48 N LYS A 4 79.900 65.490 36.140 1.00 0.00 N ATOM 49 CA LYS A 4 80.000 66.890 35.630 1.00 0.00 C ATOM 50 C LYS A 4 78.810 67.470 34.910 1.00 0.00 C ATOM 51 O LYS A 4 78.990 68.390 34.120 1.00 0.00 O ATOM 52 CB LYS A 4 81.290 67.110 34.880 1.00 0.00 C ATOM 53 CG LYS A 4 82.520 67.020 35.760 1.00 0.00 C ATOM 54 CD LYS A 4 83.800 67.210 34.980 1.00 0.00 C ATOM 55 CE LYS A 4 85.040 67.050 35.820 1.00 0.00 C ATOM 56 NZ LYS A 4 86.220 67.200 34.960 1.00 0.00 N ATOM 0 HA LYS A 4 80.002 67.479 36.547 1.00 0.00 H new ATOM 0 HB2 LYS A 4 81.368 66.372 34.082 1.00 0.00 H new ATOM 0 HB3 LYS A 4 81.263 68.091 34.405 1.00 0.00 H new ATOM 0 HG2 LYS A 4 82.459 67.775 36.543 1.00 0.00 H new ATOM 0 HG3 LYS A 4 82.540 66.049 36.255 1.00 0.00 H new ATOM 0 HD2 LYS A 4 83.829 66.490 34.162 1.00 0.00 H new ATOM 0 HD3 LYS A 4 83.800 68.203 34.531 1.00 0.00 H new ATOM 0 HE2 LYS A 4 85.056 67.796 36.615 1.00 0.00 H new ATOM 0 HE3 LYS A 4 85.046 66.072 36.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 87.082 67.091 35.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 86.203 66.472 34.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 86.212 68.143 34.521 1.00 0.00 H new ATOM 70 N LEU A 5 77.630 66.880 35.030 1.00 0.00 N ATOM 71 CA LEU A 5 76.470 67.360 34.270 1.00 0.00 C ATOM 72 C LEU A 5 75.390 67.620 35.240 1.00 0.00 C ATOM 73 O LEU A 5 75.320 66.940 36.290 1.00 0.00 O ATOM 74 CB LEU A 5 75.950 66.330 33.260 1.00 0.00 C ATOM 75 CG LEU A 5 76.990 65.980 32.200 1.00 0.00 C ATOM 76 CD1 LEU A 5 76.530 64.790 31.380 1.00 0.00 C ATOM 77 CD2 LEU A 5 77.210 67.150 31.260 1.00 0.00 C ATOM 0 H LEU A 5 77.445 66.080 35.635 1.00 0.00 H new ATOM 0 HA LEU A 5 76.773 68.247 33.713 1.00 0.00 H new ATOM 0 HB2 LEU A 5 75.654 65.424 33.789 1.00 0.00 H new ATOM 0 HB3 LEU A 5 75.056 66.721 32.773 1.00 0.00 H new ATOM 0 HG LEU A 5 77.920 65.741 32.716 1.00 0.00 H new ATOM 0 HD11 LEU A 5 77.283 64.553 30.628 1.00 0.00 H new ATOM 0 HD12 LEU A 5 76.388 63.930 32.035 1.00 0.00 H new ATOM 0 HD13 LEU A 5 75.588 65.030 30.887 1.00 0.00 H new ATOM 0 HD21 LEU A 5 77.955 66.880 30.512 1.00 0.00 H new ATOM 0 HD22 LEU A 5 76.272 67.400 30.764 1.00 0.00 H new ATOM 0 HD23 LEU A 5 77.561 68.012 31.828 1.00 0.00 H new ATOM 89 N VAL A 6 74.550 68.560 34.880 1.00 0.00 N ATOM 90 CA VAL A 6 73.310 68.890 35.560 1.00 0.00 C ATOM 91 C VAL A 6 72.220 68.800 34.550 1.00 0.00 C ATOM 92 O VAL A 6 72.410 69.170 33.390 1.00 0.00 O ATOM 93 CB VAL A 6 73.340 70.310 36.160 1.00 0.00 C ATOM 94 CG1 VAL A 6 72.030 70.570 36.870 1.00 0.00 C ATOM 95 CG2 VAL A 6 74.420 70.510 37.110 1.00 0.00 C ATOM 0 H VAL A 6 74.717 69.148 34.064 1.00 0.00 H new ATOM 0 HA VAL A 6 73.156 68.198 36.388 1.00 0.00 H new ATOM 0 HB VAL A 6 73.500 71.000 35.331 1.00 0.00 H new ATOM 0 HG11 VAL A 6 72.041 71.572 37.298 1.00 0.00 H new ATOM 0 HG12 VAL A 6 71.208 70.488 36.159 1.00 0.00 H new ATOM 0 HG13 VAL A 6 71.896 69.837 37.666 1.00 0.00 H new ATOM 0 HG21 VAL A 6 74.383 71.530 37.494 1.00 0.00 H new ATOM 0 HG22 VAL A 6 74.313 69.807 37.936 1.00 0.00 H new ATOM 0 HG23 VAL A 6 75.376 70.343 36.614 1.00 0.00 H new ATOM 105 N LEU A 7 71.040 68.310 34.940 1.00 0.00 N ATOM 106 CA LEU A 7 69.870 68.290 34.070 1.00 0.00 C ATOM 107 C LEU A 7 68.890 69.320 34.570 1.00 0.00 C ATOM 108 O LEU A 7 68.710 69.490 35.800 1.00 0.00 O ATOM 109 CB LEU A 7 69.200 66.910 34.040 1.00 0.00 C ATOM 110 CG LEU A 7 70.080 65.850 33.400 1.00 0.00 C ATOM 111 CD1 LEU A 7 69.500 64.460 33.580 1.00 0.00 C ATOM 112 CD2 LEU A 7 70.180 66.140 31.920 1.00 0.00 C ATOM 0 H LEU A 7 70.873 67.918 35.867 1.00 0.00 H new ATOM 0 HA LEU A 7 70.189 68.516 33.052 1.00 0.00 H new ATOM 0 HB2 LEU A 7 68.954 66.607 35.058 1.00 0.00 H new ATOM 0 HB3 LEU A 7 68.261 66.978 33.491 1.00 0.00 H new ATOM 0 HG LEU A 7 71.058 65.879 33.880 1.00 0.00 H new ATOM 0 HD11 LEU A 7 70.156 63.728 33.109 1.00 0.00 H new ATOM 0 HD12 LEU A 7 69.412 64.237 34.643 1.00 0.00 H new ATOM 0 HD13 LEU A 7 68.514 64.414 33.117 1.00 0.00 H new ATOM 0 HD21 LEU A 7 70.809 65.388 31.444 1.00 0.00 H new ATOM 0 HD22 LEU A 7 69.185 66.115 31.476 1.00 0.00 H new ATOM 0 HD23 LEU A 7 70.619 67.127 31.771 1.00 0.00 H new ATOM 124 N ALA A 8 68.220 69.980 33.660 1.00 0.00 N ATOM 125 CA ALA A 8 66.970 70.690 33.890 1.00 0.00 C ATOM 126 C ALA A 8 65.930 69.780 34.440 1.00 0.00 C ATOM 127 O ALA A 8 65.860 68.600 34.110 1.00 0.00 O ATOM 128 CB ALA A 8 66.460 71.400 32.610 1.00 0.00 C ATOM 0 H ALA A 8 68.538 70.045 32.693 1.00 0.00 H new ATOM 0 HA ALA A 8 67.175 71.463 34.630 1.00 0.00 H new ATOM 0 HB1 ALA A 8 65.525 71.917 32.828 1.00 0.00 H new ATOM 0 HB2 ALA A 8 67.204 72.122 32.274 1.00 0.00 H new ATOM 0 HB3 ALA A 8 66.292 70.661 31.827 1.00 0.00 H new ATOM 134 N LYS A 9 64.970 70.310 35.140 1.00 0.00 N ATOM 135 CA LYS A 9 63.740 69.630 35.580 1.00 0.00 C ATOM 136 C LYS A 9 62.810 69.200 34.410 1.00 0.00 C ATOM 137 O LYS A 9 62.330 68.080 34.360 1.00 0.00 O ATOM 138 CB LYS A 9 63.050 70.570 36.550 1.00 0.00 C ATOM 139 CG LYS A 9 62.540 71.840 35.900 1.00 0.00 C ATOM 140 CD LYS A 9 61.850 72.760 36.880 1.00 0.00 C ATOM 141 CE LYS A 9 61.340 74.010 36.170 1.00 0.00 C ATOM 142 NZ LYS A 9 60.690 74.890 37.140 1.00 0.00 N ATOM 0 H LYS A 9 65.006 71.282 35.447 1.00 0.00 H new ATOM 0 HA LYS A 9 63.995 68.686 36.062 1.00 0.00 H new ATOM 0 HB2 LYS A 9 62.214 70.049 37.016 1.00 0.00 H new ATOM 0 HB3 LYS A 9 63.746 70.833 37.346 1.00 0.00 H new ATOM 0 HG2 LYS A 9 63.375 72.368 35.439 1.00 0.00 H new ATOM 0 HG3 LYS A 9 61.846 71.581 35.101 1.00 0.00 H new ATOM 0 HD2 LYS A 9 61.018 72.239 37.354 1.00 0.00 H new ATOM 0 HD3 LYS A 9 62.543 73.042 37.673 1.00 0.00 H new ATOM 0 HE2 LYS A 9 62.167 74.531 35.688 1.00 0.00 H new ATOM 0 HE3 LYS A 9 60.636 73.734 35.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 60.342 75.743 36.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 59.891 74.391 37.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 61.374 75.163 37.874 1.00 0.00 H new ATOM 156 N ASN A 10 62.680 70.080 33.410 1.00 0.00 N ATOM 157 CA ASN A 10 61.620 70.100 32.400 1.00 0.00 C ATOM 158 C ASN A 10 61.660 68.810 31.610 1.00 0.00 C ATOM 159 O ASN A 10 60.620 68.250 31.300 1.00 0.00 O ATOM 160 CB ASN A 10 61.810 71.300 31.450 1.00 0.00 C ATOM 161 CG ASN A 10 61.430 72.610 32.120 1.00 0.00 C ATOM 162 OD1 ASN A 10 60.610 72.660 33.020 1.00 0.00 O ATOM 163 ND2 ASN A 10 61.950 73.720 31.640 1.00 0.00 N ATOM 0 H ASN A 10 63.349 70.838 33.278 1.00 0.00 H new ATOM 0 HA ASN A 10 60.654 70.197 32.896 1.00 0.00 H new ATOM 0 HB2 ASN A 10 62.849 71.346 31.124 1.00 0.00 H new ATOM 0 HB3 ASN A 10 61.202 71.158 30.557 1.00 0.00 H new ATOM 0 HD21 ASN A 10 61.667 74.623 32.021 1.00 0.00 H new ATOM 0 HD22 ASN A 10 62.636 73.678 30.887 1.00 0.00 H new ATOM 170 N THR A 11 62.860 68.300 31.340 1.00 0.00 N ATOM 171 CA THR A 11 62.990 67.390 30.230 1.00 0.00 C ATOM 172 C THR A 11 62.860 65.930 30.600 1.00 0.00 C ATOM 173 O THR A 11 62.200 65.140 29.920 1.00 0.00 O ATOM 174 CB THR A 11 64.340 67.650 29.590 1.00 0.00 C ATOM 175 OG1 THR A 11 64.280 68.950 29.090 1.00 0.00 O ATOM 176 CG2 THR A 11 64.580 66.690 28.460 1.00 0.00 C ATOM 0 H THR A 11 63.717 68.497 31.857 1.00 0.00 H new ATOM 0 HA THR A 11 62.164 67.578 29.544 1.00 0.00 H new ATOM 0 HB THR A 11 65.148 67.523 30.310 1.00 0.00 H new ATOM 0 HG1 THR A 11 64.972 69.070 28.406 1.00 0.00 H new ATOM 0 HG21 THR A 11 65.553 66.891 28.012 1.00 0.00 H new ATOM 0 HG22 THR A 11 64.559 65.669 28.840 1.00 0.00 H new ATOM 0 HG23 THR A 11 63.802 66.813 27.707 1.00 0.00 H new ATOM 285 N SER A 18 66.360 70.880 40.330 1.00 0.00 N ATOM 286 CA SER A 18 66.920 71.900 41.220 1.00 0.00 C ATOM 287 C SER A 18 68.340 71.640 41.630 1.00 0.00 C ATOM 288 O SER A 18 68.850 72.260 42.570 1.00 0.00 O ATOM 289 CB SER A 18 66.090 72.040 42.480 1.00 0.00 C ATOM 290 OG SER A 18 64.780 72.280 42.080 1.00 0.00 O ATOM 0 HA SER A 18 66.901 72.818 40.633 1.00 0.00 H new ATOM 0 HB2 SER A 18 66.149 71.134 43.083 1.00 0.00 H new ATOM 0 HB3 SER A 18 66.461 72.858 43.097 1.00 0.00 H new ATOM 0 HG SER A 18 64.628 71.877 41.200 1.00 0.00 H new ATOM 296 N VAL A 19 68.970 70.740 40.890 1.00 0.00 N ATOM 297 CA VAL A 19 70.270 70.220 41.200 1.00 0.00 C ATOM 298 C VAL A 19 71.380 71.170 40.960 1.00 0.00 C ATOM 299 O VAL A 19 72.310 71.140 41.780 1.00 0.00 O ATOM 300 CB VAL A 19 70.450 68.970 40.340 1.00 0.00 C ATOM 301 CG1 VAL A 19 71.880 68.530 40.430 1.00 0.00 C ATOM 302 CG2 VAL A 19 69.540 67.890 40.890 1.00 0.00 C ATOM 0 H VAL A 19 68.571 70.348 40.037 1.00 0.00 H new ATOM 0 HA VAL A 19 70.314 70.009 42.268 1.00 0.00 H new ATOM 0 HB VAL A 19 70.201 69.169 39.298 1.00 0.00 H new ATOM 0 HG11 VAL A 19 72.025 67.638 39.821 1.00 0.00 H new ATOM 0 HG12 VAL A 19 72.529 69.327 40.067 1.00 0.00 H new ATOM 0 HG13 VAL A 19 72.127 68.305 41.468 1.00 0.00 H new ATOM 0 HG21 VAL A 19 69.648 66.984 40.293 1.00 0.00 H new ATOM 0 HG22 VAL A 19 69.811 67.678 41.924 1.00 0.00 H new ATOM 0 HG23 VAL A 19 68.505 68.230 40.848 1.00 0.00 H new ATOM 312 N GLU A 20 71.310 72.030 39.940 1.00 0.00 N ATOM 313 CA GLU A 20 72.410 72.940 39.720 1.00 0.00 C ATOM 314 C GLU A 20 72.580 73.750 40.970 1.00 0.00 C ATOM 315 O GLU A 20 73.580 73.750 41.500 1.00 0.00 O ATOM 316 CB GLU A 20 72.300 73.870 38.550 1.00 0.00 C ATOM 317 CG GLU A 20 73.470 74.780 38.410 1.00 0.00 C ATOM 318 CD GLU A 20 74.810 74.100 38.240 1.00 0.00 C ATOM 319 OE1 GLU A 20 74.790 72.850 38.210 1.00 0.00 O ATOM 320 OE2 GLU A 20 75.830 74.670 38.130 1.00 0.00 O ATOM 0 H GLU A 20 70.533 72.107 39.284 1.00 0.00 H new ATOM 0 HA GLU A 20 73.266 72.310 39.476 1.00 0.00 H new ATOM 0 HB2 GLU A 20 72.193 73.284 37.637 1.00 0.00 H new ATOM 0 HB3 GLU A 20 71.394 74.467 38.653 1.00 0.00 H new ATOM 0 HG2 GLU A 20 73.301 75.430 37.552 1.00 0.00 H new ATOM 0 HG3 GLU A 20 73.517 75.421 39.291 1.00 0.00 H new ATOM 327 N LEU A 21 71.460 74.250 41.530 1.00 0.00 N ATOM 328 CA LEU A 21 71.650 75.120 42.670 1.00 0.00 C ATOM 329 C LEU A 21 72.350 74.520 43.910 1.00 0.00 C ATOM 330 O LEU A 21 73.170 75.180 44.550 1.00 0.00 O ATOM 331 CB LEU A 21 70.250 75.640 42.970 1.00 0.00 C ATOM 332 CG LEU A 21 69.700 76.520 41.860 1.00 0.00 C ATOM 333 CD1 LEU A 21 68.260 76.880 42.110 1.00 0.00 C ATOM 334 CD2 LEU A 21 70.550 77.770 41.680 1.00 0.00 C ATOM 0 H LEU A 21 70.499 74.078 41.233 1.00 0.00 H new ATOM 0 HA LEU A 21 72.368 75.900 42.416 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.579 74.795 43.125 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.269 76.206 43.901 1.00 0.00 H new ATOM 0 HG LEU A 21 69.743 75.947 40.934 1.00 0.00 H new ATOM 0 HD11 LEU A 21 67.896 77.510 41.298 1.00 0.00 H new ATOM 0 HD12 LEU A 21 67.661 75.971 42.160 1.00 0.00 H new ATOM 0 HD13 LEU A 21 68.179 77.421 43.053 1.00 0.00 H new ATOM 0 HD21 LEU A 21 70.133 78.381 40.879 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.556 78.342 42.608 1.00 0.00 H new ATOM 0 HD23 LEU A 21 71.570 77.483 41.424 1.00 0.00 H new ATOM 346 N GLU A 22 71.870 73.360 44.320 1.00 0.00 N ATOM 347 CA GLU A 22 72.450 72.560 45.420 1.00 0.00 C ATOM 348 C GLU A 22 73.850 72.120 45.090 1.00 0.00 C ATOM 349 O GLU A 22 74.720 72.230 45.980 1.00 0.00 O ATOM 350 CB GLU A 22 71.620 71.310 45.670 1.00 0.00 C ATOM 351 CG GLU A 22 70.240 71.770 46.170 1.00 0.00 C ATOM 352 CD GLU A 22 69.350 70.520 46.320 1.00 0.00 C ATOM 353 OE1 GLU A 22 69.820 69.560 46.190 1.00 0.00 O ATOM 354 OE2 GLU A 22 68.080 70.830 46.410 1.00 0.00 O ATOM 0 H GLU A 22 71.049 72.926 43.898 1.00 0.00 H new ATOM 0 HA GLU A 22 72.458 73.195 46.306 1.00 0.00 H new ATOM 0 HB2 GLU A 22 71.522 70.725 44.756 1.00 0.00 H new ATOM 0 HB3 GLU A 22 72.102 70.670 46.408 1.00 0.00 H new ATOM 0 HG2 GLU A 22 70.333 72.289 47.124 1.00 0.00 H new ATOM 0 HG3 GLU A 22 69.794 72.474 45.467 1.00 0.00 H new ATOM 361 N ASP A 23 74.110 71.780 43.850 1.00 0.00 N ATOM 362 CA ASP A 23 75.440 71.430 43.470 1.00 0.00 C ATOM 363 C ASP A 23 76.330 72.620 43.470 1.00 0.00 C ATOM 364 O ASP A 23 77.420 72.480 44.010 1.00 0.00 O ATOM 365 CB ASP A 23 75.470 70.840 42.090 1.00 0.00 C ATOM 366 CG ASP A 23 74.900 69.440 42.430 1.00 0.00 C ATOM 367 OD1 ASP A 23 74.610 68.970 43.470 1.00 0.00 O ATOM 368 OD2 ASP A 23 74.620 68.630 41.410 1.00 0.00 O ATOM 0 H ASP A 23 73.420 71.741 43.100 1.00 0.00 H new ATOM 0 HA ASP A 23 75.790 70.700 44.200 1.00 0.00 H new ATOM 0 HB2 ASP A 23 74.850 71.389 41.381 1.00 0.00 H new ATOM 0 HB3 ASP A 23 76.475 70.798 41.669 1.00 0.00 H new ATOM 373 N LEU A 24 75.850 73.800 43.080 1.00 0.00 N ATOM 374 CA LEU A 24 76.670 75.010 43.030 1.00 0.00 C ATOM 375 C LEU A 24 77.380 75.080 44.410 1.00 0.00 C ATOM 376 O LEU A 24 78.570 75.070 44.550 1.00 0.00 O ATOM 377 CB LEU A 24 75.870 76.300 42.810 1.00 0.00 C ATOM 378 CG LEU A 24 75.160 76.420 41.460 1.00 0.00 C ATOM 379 CD1 LEU A 24 74.260 77.640 41.370 1.00 0.00 C ATOM 380 CD2 LEU A 24 76.130 76.390 40.320 1.00 0.00 C ATOM 0 H LEU A 24 74.883 73.944 42.790 1.00 0.00 H new ATOM 0 HA LEU A 24 77.351 74.946 42.181 1.00 0.00 H new ATOM 0 HB2 LEU A 24 75.124 76.382 43.600 1.00 0.00 H new ATOM 0 HB3 LEU A 24 76.546 77.148 42.921 1.00 0.00 H new ATOM 0 HG LEU A 24 74.515 75.545 41.383 1.00 0.00 H new ATOM 0 HD11 LEU A 24 73.785 77.670 40.390 1.00 0.00 H new ATOM 0 HD12 LEU A 24 73.494 77.585 42.143 1.00 0.00 H new ATOM 0 HD13 LEU A 24 74.855 78.542 41.513 1.00 0.00 H new ATOM 0 HD21 LEU A 24 75.588 76.478 39.379 1.00 0.00 H new ATOM 0 HD22 LEU A 24 76.829 77.221 40.415 1.00 0.00 H new ATOM 0 HD23 LEU A 24 76.681 75.449 40.335 1.00 0.00 H new ATOM 392 N TYR A 25 76.570 75.080 45.460 1.00 0.00 N ATOM 393 CA TYR A 25 77.010 75.230 46.820 1.00 0.00 C ATOM 394 C TYR A 25 77.900 74.080 47.280 1.00 0.00 C ATOM 395 O TYR A 25 78.970 74.330 47.870 1.00 0.00 O ATOM 396 CB TYR A 25 75.780 75.300 47.720 1.00 0.00 C ATOM 397 CG TYR A 25 76.210 75.410 49.170 1.00 0.00 C ATOM 398 CD1 TYR A 25 76.480 76.710 49.720 1.00 0.00 C ATOM 399 CD2 TYR A 25 76.140 74.340 50.020 1.00 0.00 C ATOM 400 CE1 TYR A 25 76.720 76.860 51.050 1.00 0.00 C ATOM 401 CE2 TYR A 25 76.420 74.470 51.380 1.00 0.00 C ATOM 402 CZ TYR A 25 76.720 75.740 51.880 1.00 0.00 C ATOM 403 OH TYR A 25 77.050 75.820 53.160 1.00 0.00 O ATOM 0 H TYR A 25 75.559 74.972 45.375 1.00 0.00 H new ATOM 0 HA TYR A 25 77.604 76.142 46.881 1.00 0.00 H new ATOM 0 HB2 TYR A 25 75.167 76.159 47.447 1.00 0.00 H new ATOM 0 HB3 TYR A 25 75.165 74.411 47.580 1.00 0.00 H new ATOM 0 HD1 TYR A 25 76.492 77.574 49.072 1.00 0.00 H new ATOM 0 HD2 TYR A 25 75.862 73.373 49.629 1.00 0.00 H new ATOM 0 HE1 TYR A 25 76.909 77.841 51.461 1.00 0.00 H new ATOM 0 HE2 TYR A 25 76.405 73.609 52.032 1.00 0.00 H new ATOM 0 HH TYR A 25 76.988 74.932 53.570 1.00 0.00 H new ATOM 413 N HIS A 26 77.430 72.860 47.110 1.00 0.00 N ATOM 414 CA HIS A 26 78.150 71.740 47.670 1.00 0.00 C ATOM 415 C HIS A 26 79.380 71.360 46.870 1.00 0.00 C ATOM 416 O HIS A 26 80.400 71.030 47.460 1.00 0.00 O ATOM 417 CB HIS A 26 77.240 70.540 47.800 1.00 0.00 C ATOM 418 CG HIS A 26 76.130 70.770 48.800 1.00 0.00 C ATOM 419 ND1 HIS A 26 74.920 71.320 48.490 1.00 0.00 N ATOM 420 CD2 HIS A 26 76.080 70.440 50.120 1.00 0.00 C ATOM 421 CE1 HIS A 26 74.170 71.330 49.580 1.00 0.00 C ATOM 422 NE2 HIS A 26 74.850 70.830 50.620 1.00 0.00 N ATOM 0 H HIS A 26 76.577 72.625 46.603 1.00 0.00 H new ATOM 0 HA HIS A 26 78.493 72.059 48.654 1.00 0.00 H new ATOM 0 HB2 HIS A 26 76.807 70.307 46.827 1.00 0.00 H new ATOM 0 HB3 HIS A 26 77.826 69.673 48.104 1.00 0.00 H new ATOM 0 HD1 HIS A 26 74.641 71.665 47.572 1.00 0.00 H new ATOM 0 HD2 HIS A 26 76.866 69.956 50.681 1.00 0.00 H new ATOM 0 HE1 HIS A 26 73.153 71.690 49.625 1.00 0.00 H new ATOM 430 N GLU A 27 79.310 71.460 45.570 1.00 0.00 N ATOM 431 CA GLU A 27 80.410 71.190 44.680 1.00 0.00 C ATOM 432 C GLU A 27 81.500 72.230 44.970 1.00 0.00 C ATOM 433 O GLU A 27 82.650 71.860 45.160 1.00 0.00 O ATOM 434 CB GLU A 27 79.990 71.320 43.230 1.00 0.00 C ATOM 435 CG GLU A 27 79.120 70.150 42.730 1.00 0.00 C ATOM 436 CD GLU A 27 78.920 70.150 41.200 1.00 0.00 C ATOM 437 OE1 GLU A 27 79.290 71.120 40.550 1.00 0.00 O ATOM 438 OE2 GLU A 27 78.470 69.090 40.680 1.00 0.00 O ATOM 0 H GLU A 27 78.458 71.741 45.084 1.00 0.00 H new ATOM 0 HA GLU A 27 80.764 70.172 44.841 1.00 0.00 H new ATOM 0 HB2 GLU A 27 79.439 72.252 43.103 1.00 0.00 H new ATOM 0 HB3 GLU A 27 80.882 71.390 42.607 1.00 0.00 H new ATOM 0 HG2 GLU A 27 79.582 69.209 43.029 1.00 0.00 H new ATOM 0 HG3 GLU A 27 78.146 70.196 43.217 1.00 0.00 H new ATOM 445 N PHE A 28 81.110 73.480 45.200 1.00 0.00 N ATOM 446 CA PHE A 28 82.090 74.500 45.520 1.00 0.00 C ATOM 447 C PHE A 28 82.860 74.200 46.790 1.00 0.00 C ATOM 448 O PHE A 28 84.070 74.340 46.870 1.00 0.00 O ATOM 449 CB PHE A 28 81.360 75.840 45.640 1.00 0.00 C ATOM 450 CG PHE A 28 82.280 76.980 46.010 1.00 0.00 C ATOM 451 CD1 PHE A 28 82.870 77.040 47.280 1.00 0.00 C ATOM 452 CD2 PHE A 28 82.550 77.990 45.100 1.00 0.00 C ATOM 453 CE1 PHE A 28 83.750 78.070 47.620 1.00 0.00 C ATOM 454 CE2 PHE A 28 83.400 79.040 45.430 1.00 0.00 C ATOM 455 CZ PHE A 28 84.010 79.080 46.690 1.00 0.00 C ATOM 0 H PHE A 28 80.143 73.802 45.171 1.00 0.00 H new ATOM 0 HA PHE A 28 82.830 74.530 44.721 1.00 0.00 H new ATOM 0 HB2 PHE A 28 80.871 76.067 44.693 1.00 0.00 H new ATOM 0 HB3 PHE A 28 80.575 75.754 46.392 1.00 0.00 H new ATOM 0 HD1 PHE A 28 82.640 76.276 48.008 1.00 0.00 H new ATOM 0 HD2 PHE A 28 82.094 77.961 44.121 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.224 78.086 48.590 1.00 0.00 H new ATOM 0 HE2 PHE A 28 83.590 79.826 44.714 1.00 0.00 H new ATOM 0 HZ PHE A 28 84.679 79.889 46.942 1.00 0.00 H new ATOM 465 N SER A 29 82.130 73.910 47.860 1.00 0.00 N ATOM 466 CA SER A 29 82.750 73.650 49.160 1.00 0.00 C ATOM 467 C SER A 29 83.620 72.380 49.050 1.00 0.00 C ATOM 468 O SER A 29 84.740 72.370 49.620 1.00 0.00 O ATOM 469 CB SER A 29 81.610 73.500 50.170 1.00 0.00 C ATOM 470 OG SER A 29 80.880 72.340 49.940 1.00 0.00 O ATOM 0 H SER A 29 81.112 73.848 47.857 1.00 0.00 H new ATOM 0 HA SER A 29 83.407 74.457 49.485 1.00 0.00 H new ATOM 0 HB2 SER A 29 82.017 73.481 51.181 1.00 0.00 H new ATOM 0 HB3 SER A 29 80.950 74.366 50.108 1.00 0.00 H new ATOM 0 HG SER A 29 80.795 72.193 48.975 1.00 0.00 H new ATOM 476 N GLU A 30 83.130 71.360 48.390 1.00 0.00 N ATOM 477 CA GLU A 30 83.740 70.040 48.320 1.00 0.00 C ATOM 478 C GLU A 30 84.970 69.950 47.430 1.00 0.00 C ATOM 479 O GLU A 30 86.040 69.420 47.870 1.00 0.00 O ATOM 480 CB GLU A 30 82.730 68.960 47.970 1.00 0.00 C ATOM 481 CG GLU A 30 81.660 68.790 49.070 1.00 0.00 C ATOM 482 CD GLU A 30 80.640 67.720 48.650 1.00 0.00 C ATOM 483 OE1 GLU A 30 80.850 67.070 47.610 1.00 0.00 O ATOM 484 OE2 GLU A 30 79.750 67.430 49.480 1.00 0.00 O ATOM 0 H GLU A 30 82.259 71.422 47.862 1.00 0.00 H new ATOM 0 HA GLU A 30 84.103 69.860 49.332 1.00 0.00 H new ATOM 0 HB2 GLU A 30 82.244 69.210 47.027 1.00 0.00 H new ATOM 0 HB3 GLU A 30 83.249 68.013 47.820 1.00 0.00 H new ATOM 0 HG2 GLU A 30 82.134 68.504 50.009 1.00 0.00 H new ATOM 0 HG3 GLU A 30 81.153 69.739 49.245 1.00 0.00 H new ATOM 491 N ASP A 31 84.860 70.450 46.240 1.00 0.00 N ATOM 492 CA ASP A 31 85.900 70.300 45.220 1.00 0.00 C ATOM 493 C ASP A 31 85.880 71.400 44.180 1.00 0.00 C ATOM 494 O ASP A 31 84.870 72.060 43.950 1.00 0.00 O ATOM 495 CB ASP A 31 85.840 68.960 44.550 1.00 0.00 C ATOM 496 CG ASP A 31 84.670 68.590 43.680 1.00 0.00 C ATOM 497 OD1 ASP A 31 83.970 69.670 43.150 1.00 0.00 O ATOM 498 OD2 ASP A 31 84.460 67.540 43.290 1.00 0.00 O ATOM 0 H ASP A 31 84.047 70.981 45.927 1.00 0.00 H new ATOM 0 HA ASP A 31 86.843 70.380 45.760 1.00 0.00 H new ATOM 0 HB2 ASP A 31 86.737 68.866 43.938 1.00 0.00 H new ATOM 0 HB3 ASP A 31 85.909 68.206 45.334 1.00 0.00 H new ATOM 503 N LYS A 32 86.980 71.610 43.450 1.00 0.00 N ATOM 504 CA LYS A 32 86.990 72.690 42.480 1.00 0.00 C ATOM 505 C LYS A 32 86.910 72.310 41.020 1.00 0.00 C ATOM 506 O LYS A 32 87.810 71.600 40.510 1.00 0.00 O ATOM 507 CB LYS A 32 88.170 73.570 42.790 1.00 0.00 C ATOM 508 CG LYS A 32 89.500 72.890 42.490 1.00 0.00 C ATOM 509 CD LYS A 32 90.650 73.830 42.780 1.00 0.00 C ATOM 510 CE LYS A 32 91.970 73.140 42.460 1.00 0.00 C ATOM 511 NZ LYS A 32 93.070 74.080 42.770 1.00 0.00 N ATOM 0 H LYS A 32 87.840 71.066 43.512 1.00 0.00 H new ATOM 0 HA LYS A 32 86.047 73.224 42.600 1.00 0.00 H new ATOM 0 HB2 LYS A 32 88.096 74.489 42.209 1.00 0.00 H new ATOM 0 HB3 LYS A 32 88.140 73.855 43.842 1.00 0.00 H new ATOM 0 HG2 LYS A 32 89.599 71.988 43.093 1.00 0.00 H new ATOM 0 HG3 LYS A 32 89.530 72.580 41.445 1.00 0.00 H new ATOM 0 HD2 LYS A 32 90.549 74.738 42.185 1.00 0.00 H new ATOM 0 HD3 LYS A 32 90.631 74.132 43.827 1.00 0.00 H new ATOM 0 HE2 LYS A 32 92.074 72.227 43.046 1.00 0.00 H new ATOM 0 HE3 LYS A 32 92.002 72.850 41.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 93.983 73.628 42.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 92.966 74.938 42.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 93.035 74.335 43.778 1.00 0.00 H new ATOM 525 N ARG A 33 85.880 72.700 40.300 1.00 0.00 N ATOM 526 CA ARG A 33 85.350 71.830 39.270 1.00 0.00 C ATOM 527 C ARG A 33 84.540 72.620 38.320 1.00 0.00 C ATOM 528 O ARG A 33 84.490 73.830 38.360 1.00 0.00 O ATOM 529 CB ARG A 33 84.500 70.730 39.880 1.00 0.00 C ATOM 530 CG ARG A 33 83.410 71.260 40.780 1.00 0.00 C ATOM 531 CD ARG A 33 82.350 70.190 40.830 1.00 0.00 C ATOM 532 NE ARG A 33 81.720 70.050 39.530 1.00 0.00 N ATOM 533 CZ ARG A 33 81.040 68.950 39.220 1.00 0.00 C ATOM 534 NH1 ARG A 33 81.040 68.070 39.920 1.00 0.00 N ATOM 535 NH2 ARG A 33 80.590 68.810 38.050 1.00 0.00 N ATOM 0 H ARG A 33 85.401 73.594 40.404 1.00 0.00 H new ATOM 0 HA ARG A 33 86.184 71.368 38.742 1.00 0.00 H new ATOM 0 HB2 ARG A 33 84.050 70.140 39.081 1.00 0.00 H new ATOM 0 HB3 ARG A 33 85.140 70.057 40.451 1.00 0.00 H new ATOM 0 HG2 ARG A 33 83.797 71.472 41.777 1.00 0.00 H new ATOM 0 HG3 ARG A 33 83.003 72.193 40.391 1.00 0.00 H new ATOM 0 HD2 ARG A 33 82.794 69.241 41.131 1.00 0.00 H new ATOM 0 HD3 ARG A 33 81.601 70.444 41.580 1.00 0.00 H new ATOM 0 HE ARG A 33 81.800 70.803 38.847 1.00 0.00 H new ATOM 0 HH11 ARG A 33 81.562 68.114 40.795 1.00 0.00 H new ATOM 0 HH12 ARG A 33 80.518 67.227 39.680 1.00 0.00 H new ATOM 0 HH21 ARG A 33 80.749 69.537 37.352 1.00 0.00 H new ATOM 0 HH22 ARG A 33 80.067 67.970 37.802 1.00 0.00 H new ATOM 549 N SER A 34 83.910 71.940 37.380 1.00 0.00 N ATOM 550 CA SER A 34 83.100 72.640 36.430 1.00 0.00 C ATOM 551 C SER A 34 82.010 71.720 36.030 1.00 0.00 C ATOM 552 O SER A 34 82.140 70.480 36.270 1.00 0.00 O ATOM 553 CB SER A 34 83.910 73.000 35.200 1.00 0.00 C ATOM 554 OG SER A 34 84.270 71.840 34.470 1.00 0.00 O ATOM 0 H SER A 34 83.948 70.927 37.263 1.00 0.00 H new ATOM 0 HA SER A 34 82.716 73.560 36.870 1.00 0.00 H new ATOM 0 HB2 SER A 34 83.332 73.670 34.563 1.00 0.00 H new ATOM 0 HB3 SER A 34 84.809 73.540 35.498 1.00 0.00 H new ATOM 0 HG SER A 34 84.671 72.103 33.615 1.00 0.00 H new ATOM 560 N ILE A 35 80.990 72.250 35.420 1.00 0.00 N ATOM 561 CA ILE A 35 79.840 71.470 35.060 1.00 0.00 C ATOM 562 C ILE A 35 79.440 71.800 33.650 1.00 0.00 C ATOM 563 O ILE A 35 79.810 72.850 33.100 1.00 0.00 O ATOM 564 CB ILE A 35 78.660 71.650 36.040 1.00 0.00 C ATOM 565 CG1 ILE A 35 78.070 73.060 35.980 1.00 0.00 C ATOM 566 CG2 ILE A 35 79.120 71.360 37.460 1.00 0.00 C ATOM 567 CD1 ILE A 35 77.320 73.330 34.690 1.00 0.00 C ATOM 0 H ILE A 35 80.931 73.234 35.158 1.00 0.00 H new ATOM 0 HA ILE A 35 80.114 70.417 35.124 1.00 0.00 H new ATOM 0 HB ILE A 35 77.882 70.947 35.743 1.00 0.00 H new ATOM 0 HG12 ILE A 35 77.395 73.202 36.824 1.00 0.00 H new ATOM 0 HG13 ILE A 35 78.873 73.789 36.087 1.00 0.00 H new ATOM 0 HG21 ILE A 35 78.283 71.489 38.147 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.486 70.335 37.522 1.00 0.00 H new ATOM 0 HG23 ILE A 35 79.921 72.048 37.731 1.00 0.00 H new ATOM 0 HD11 ILE A 35 76.924 74.345 34.705 1.00 0.00 H new ATOM 0 HD12 ILE A 35 77.998 73.218 33.844 1.00 0.00 H new ATOM 0 HD13 ILE A 35 76.498 72.621 34.592 1.00 0.00 H new ATOM 579 N PHE A 36 78.610 70.930 33.090 1.00 0.00 N ATOM 580 CA PHE A 36 77.750 71.250 31.980 1.00 0.00 C ATOM 581 C PHE A 36 76.280 71.190 32.310 1.00 0.00 C ATOM 582 O PHE A 36 75.770 70.160 32.750 1.00 0.00 O ATOM 583 CB PHE A 36 78.100 70.280 30.880 1.00 0.00 C ATOM 584 CG PHE A 36 79.380 70.560 30.230 1.00 0.00 C ATOM 585 CD1 PHE A 36 80.580 70.050 30.770 1.00 0.00 C ATOM 586 CD2 PHE A 36 79.410 71.360 29.090 1.00 0.00 C ATOM 587 CE1 PHE A 36 81.790 70.400 30.220 1.00 0.00 C ATOM 588 CE2 PHE A 36 80.640 71.710 28.530 1.00 0.00 C ATOM 589 CZ PHE A 36 81.750 71.310 29.180 1.00 0.00 C ATOM 0 H PHE A 36 78.521 69.965 33.408 1.00 0.00 H new ATOM 0 HA PHE A 36 77.917 72.285 31.683 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.126 69.271 31.293 1.00 0.00 H new ATOM 0 HB3 PHE A 36 77.310 70.297 30.129 1.00 0.00 H new ATOM 0 HD1 PHE A 36 80.547 69.382 31.618 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.490 71.706 28.643 1.00 0.00 H new ATOM 0 HE1 PHE A 36 82.721 69.987 30.580 1.00 0.00 H new ATOM 0 HE2 PHE A 36 80.699 72.278 27.613 1.00 0.00 H new ATOM 0 HZ PHE A 36 82.689 71.737 28.861 1.00 0.00 H new ATOM 599 N TYR A 37 75.560 72.280 32.070 1.00 0.00 N ATOM 600 CA TYR A 37 74.150 72.350 32.520 1.00 0.00 C ATOM 601 C TYR A 37 73.330 72.100 31.300 1.00 0.00 C ATOM 602 O TYR A 37 73.390 72.890 30.350 1.00 0.00 O ATOM 603 CB TYR A 37 73.760 73.700 33.130 1.00 0.00 C ATOM 604 CG TYR A 37 72.300 73.760 33.540 1.00 0.00 C ATOM 605 CD1 TYR A 37 71.640 72.610 34.010 1.00 0.00 C ATOM 606 CD2 TYR A 37 71.570 74.950 33.440 1.00 0.00 C ATOM 607 CE1 TYR A 37 70.290 72.650 34.380 1.00 0.00 C ATOM 608 CE2 TYR A 37 70.220 75.000 33.820 1.00 0.00 C ATOM 609 CZ TYR A 37 69.590 73.850 34.320 1.00 0.00 C ATOM 610 OH TYR A 37 68.280 73.900 34.670 1.00 0.00 O ATOM 0 H TYR A 37 75.902 73.109 31.584 1.00 0.00 H new ATOM 0 HA TYR A 37 73.989 71.620 33.313 1.00 0.00 H new ATOM 0 HB2 TYR A 37 74.386 73.894 34.001 1.00 0.00 H new ATOM 0 HB3 TYR A 37 73.963 74.492 32.409 1.00 0.00 H new ATOM 0 HD1 TYR A 37 72.184 71.680 34.087 1.00 0.00 H new ATOM 0 HD2 TYR A 37 72.052 75.841 33.066 1.00 0.00 H new ATOM 0 HE1 TYR A 37 69.793 71.750 34.711 1.00 0.00 H new ATOM 0 HE2 TYR A 37 69.666 75.923 33.728 1.00 0.00 H new ATOM 0 HH TYR A 37 68.033 74.824 34.883 1.00 0.00 H new ATOM 620 N PHE A 38 72.590 71.010 31.270 1.00 0.00 N ATOM 621 CA PHE A 38 71.690 70.650 30.170 1.00 0.00 C ATOM 622 C PHE A 38 70.310 71.170 30.480 1.00 0.00 C ATOM 623 O PHE A 38 69.640 70.700 31.340 1.00 0.00 O ATOM 624 CB PHE A 38 71.650 69.130 30.080 1.00 0.00 C ATOM 625 CG PHE A 38 70.580 68.610 29.160 1.00 0.00 C ATOM 626 CD1 PHE A 38 69.220 68.660 29.520 1.00 0.00 C ATOM 627 CD2 PHE A 38 70.920 68.030 27.940 1.00 0.00 C ATOM 628 CE1 PHE A 38 68.220 68.230 28.700 1.00 0.00 C ATOM 629 CE2 PHE A 38 69.920 67.550 27.110 1.00 0.00 C ATOM 630 CZ PHE A 38 68.590 67.650 27.480 1.00 0.00 C ATOM 0 H PHE A 38 72.591 70.325 32.026 1.00 0.00 H new ATOM 0 HA PHE A 38 72.035 71.078 29.228 1.00 0.00 H new ATOM 0 HB2 PHE A 38 72.620 68.769 29.737 1.00 0.00 H new ATOM 0 HB3 PHE A 38 71.491 68.719 31.077 1.00 0.00 H new ATOM 0 HD1 PHE A 38 68.957 69.057 30.489 1.00 0.00 H new ATOM 0 HD2 PHE A 38 71.956 67.955 27.643 1.00 0.00 H new ATOM 0 HE1 PHE A 38 67.182 68.333 28.980 1.00 0.00 H new ATOM 0 HE2 PHE A 38 70.180 67.094 26.166 1.00 0.00 H new ATOM 0 HZ PHE A 38 67.825 67.275 26.817 1.00 0.00 H new ATOM 640 N ALA A 39 69.890 72.270 29.850 1.00 0.00 N ATOM 641 CA ALA A 39 68.570 72.810 30.200 1.00 0.00 C ATOM 642 C ALA A 39 67.850 73.150 28.970 1.00 0.00 C ATOM 643 O ALA A 39 68.520 73.570 28.050 1.00 0.00 O ATOM 644 CB ALA A 39 68.660 73.950 31.180 1.00 0.00 C ATOM 0 H ALA A 39 70.408 72.781 29.135 1.00 0.00 H new ATOM 0 HA ALA A 39 67.996 72.046 30.725 1.00 0.00 H new ATOM 0 HB1 ALA A 39 67.658 74.315 31.407 1.00 0.00 H new ATOM 0 HB2 ALA A 39 69.137 73.605 32.097 1.00 0.00 H new ATOM 0 HB3 ALA A 39 69.250 74.757 30.746 1.00 0.00 H new ATOM 650 N PRO A 40 66.520 72.970 28.880 1.00 0.00 N ATOM 651 CA PRO A 40 66.060 72.230 27.710 1.00 0.00 C ATOM 652 C PRO A 40 66.330 72.860 26.340 1.00 0.00 C ATOM 653 O PRO A 40 66.160 74.080 26.210 1.00 0.00 O ATOM 654 CB PRO A 40 64.570 72.030 27.980 1.00 0.00 C ATOM 655 CG PRO A 40 64.190 73.230 28.810 1.00 0.00 C ATOM 656 CD PRO A 40 65.370 73.420 29.750 1.00 0.00 C ATOM 0 HA PRO A 40 66.628 71.305 27.611 1.00 0.00 H new ATOM 0 HB2 PRO A 40 63.998 71.987 27.053 1.00 0.00 H new ATOM 0 HB3 PRO A 40 64.382 71.099 28.514 1.00 0.00 H new ATOM 0 HG2 PRO A 40 64.030 74.111 28.188 1.00 0.00 H new ATOM 0 HG3 PRO A 40 63.265 73.057 29.361 1.00 0.00 H new ATOM 0 HD2 PRO A 40 65.478 74.457 30.069 1.00 0.00 H new ATOM 0 HD3 PRO A 40 65.277 72.816 30.653 1.00 0.00 H new ATOM 664 N THR A 41 66.450 72.020 25.320 1.00 0.00 N ATOM 665 CA THR A 41 66.310 72.430 23.890 1.00 0.00 C ATOM 666 C THR A 41 64.910 72.820 23.520 1.00 0.00 C ATOM 667 O THR A 41 64.680 73.820 22.830 1.00 0.00 O ATOM 668 CB THR A 41 66.730 71.290 22.980 1.00 0.00 C ATOM 669 OG1 THR A 41 68.110 71.110 23.050 1.00 0.00 O ATOM 670 CG2 THR A 41 66.430 71.600 21.530 1.00 0.00 C ATOM 0 H THR A 41 66.648 71.027 25.440 1.00 0.00 H new ATOM 0 HA THR A 41 66.952 73.302 23.764 1.00 0.00 H new ATOM 0 HB THR A 41 66.180 70.408 23.309 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.551 71.710 22.413 1.00 0.00 H new ATOM 0 HG21 THR A 41 66.743 70.763 20.907 1.00 0.00 H new ATOM 0 HG22 THR A 41 65.359 71.763 21.407 1.00 0.00 H new ATOM 0 HG23 THR A 41 66.971 72.498 21.230 1.00 0.00 H new ATOM 678 N ASN A 42 63.970 72.050 24.040 1.00 0.00 N ATOM 679 CA ASN A 42 62.560 72.180 23.810 1.00 0.00 C ATOM 680 C ASN A 42 61.920 73.420 24.390 1.00 0.00 C ATOM 681 O ASN A 42 61.070 73.970 23.670 1.00 0.00 O ATOM 682 CB ASN A 42 61.900 70.910 24.370 1.00 0.00 C ATOM 683 CG ASN A 42 62.180 69.720 23.470 1.00 0.00 C ATOM 684 OD1 ASN A 42 62.570 69.840 22.330 1.00 0.00 O ATOM 685 ND2 ASN A 42 62.040 68.530 24.000 1.00 0.00 N ATOM 0 H ASN A 42 64.193 71.277 24.667 1.00 0.00 H new ATOM 0 HA ASN A 42 62.407 72.294 22.737 1.00 0.00 H new ATOM 0 HB2 ASN A 42 62.276 70.710 25.373 1.00 0.00 H new ATOM 0 HB3 ASN A 42 60.824 71.061 24.457 1.00 0.00 H new ATOM 0 HD21 ASN A 42 62.260 67.698 23.452 1.00 0.00 H new ATOM 0 HD22 ASN A 42 61.711 68.435 24.961 1.00 0.00 H new ATOM 692 N ALA A 43 62.200 73.860 25.630 1.00 0.00 N ATOM 693 CA ALA A 43 61.480 75.030 26.150 1.00 0.00 C ATOM 694 C ALA A 43 62.270 76.310 26.230 1.00 0.00 C ATOM 695 O ALA A 43 61.670 77.380 26.260 1.00 0.00 O ATOM 696 CB ALA A 43 60.770 74.700 27.450 1.00 0.00 C ATOM 0 H ALA A 43 62.885 73.446 26.262 1.00 0.00 H new ATOM 0 HA ALA A 43 60.732 75.255 25.390 1.00 0.00 H new ATOM 0 HB1 ALA A 43 60.245 75.584 27.813 1.00 0.00 H new ATOM 0 HB2 ALA A 43 60.053 73.897 27.279 1.00 0.00 H new ATOM 0 HB3 ALA A 43 61.501 74.382 28.193 1.00 0.00 H new ATOM 702 N HIS A 44 63.570 76.140 26.360 1.00 0.00 N ATOM 703 CA HIS A 44 64.560 77.140 26.660 1.00 0.00 C ATOM 704 C HIS A 44 64.320 77.750 28.030 1.00 0.00 C ATOM 705 O HIS A 44 64.780 78.840 28.310 1.00 0.00 O ATOM 706 CB HIS A 44 64.580 78.220 25.570 1.00 0.00 C ATOM 707 CG HIS A 44 64.850 77.670 24.200 1.00 0.00 C ATOM 708 ND1 HIS A 44 66.100 77.250 23.780 1.00 0.00 N ATOM 709 CD2 HIS A 44 63.960 77.510 23.170 1.00 0.00 C ATOM 710 CE1 HIS A 44 65.950 76.810 22.530 1.00 0.00 C ATOM 711 NE2 HIS A 44 64.680 77.000 22.130 1.00 0.00 N ATOM 0 H HIS A 44 63.991 75.218 26.248 1.00 0.00 H new ATOM 0 HA HIS A 44 65.538 76.658 26.680 1.00 0.00 H new ATOM 0 HB2 HIS A 44 63.622 78.739 25.564 1.00 0.00 H new ATOM 0 HB3 HIS A 44 65.342 78.960 25.814 1.00 0.00 H new ATOM 0 HD2 HIS A 44 62.905 77.741 23.180 1.00 0.00 H new ATOM 0 HE1 HIS A 44 66.731 76.368 21.929 1.00 0.00 H new ATOM 0 HE2 HIS A 44 64.315 76.796 21.200 1.00 0.00 H new ATOM 719 N LYS A 45 63.590 77.090 28.930 1.00 0.00 N ATOM 720 CA LYS A 45 63.010 77.730 30.130 1.00 0.00 C ATOM 721 C LYS A 45 63.920 77.610 31.360 1.00 0.00 C ATOM 722 O LYS A 45 64.170 78.580 32.050 1.00 0.00 O ATOM 723 CB LYS A 45 61.620 77.140 30.330 1.00 0.00 C ATOM 724 CG LYS A 45 60.890 77.750 31.520 1.00 0.00 C ATOM 725 CD LYS A 45 59.560 77.100 31.850 1.00 0.00 C ATOM 726 CE LYS A 45 58.980 77.640 33.150 1.00 0.00 C ATOM 727 NZ LYS A 45 57.660 77.010 33.380 1.00 0.00 N ATOM 0 H LYS A 45 63.379 76.095 28.855 1.00 0.00 H new ATOM 0 HA LYS A 45 62.923 78.807 29.985 1.00 0.00 H new ATOM 0 HB2 LYS A 45 61.030 77.297 29.427 1.00 0.00 H new ATOM 0 HB3 LYS A 45 61.704 76.063 30.473 1.00 0.00 H new ATOM 0 HG2 LYS A 45 61.536 77.688 32.396 1.00 0.00 H new ATOM 0 HG3 LYS A 45 60.722 78.809 31.322 1.00 0.00 H new ATOM 0 HD2 LYS A 45 58.856 77.276 31.036 1.00 0.00 H new ATOM 0 HD3 LYS A 45 59.692 76.021 31.930 1.00 0.00 H new ATOM 0 HE2 LYS A 45 59.651 77.425 33.981 1.00 0.00 H new ATOM 0 HE3 LYS A 45 58.877 78.724 33.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 57.253 77.371 34.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 57.024 77.237 32.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 57.775 75.978 33.447 1.00 0.00 H new ATOM 741 N ASP A 46 64.330 76.370 31.680 1.00 0.00 N ATOM 742 CA ASP A 46 65.280 76.140 32.780 1.00 0.00 C ATOM 743 C ASP A 46 66.590 76.810 32.380 1.00 0.00 C ATOM 744 O ASP A 46 67.190 77.440 33.260 1.00 0.00 O ATOM 745 CB ASP A 46 65.540 74.640 32.980 1.00 0.00 C ATOM 746 CG ASP A 46 64.320 74.080 33.720 1.00 0.00 C ATOM 747 OD1 ASP A 46 63.700 74.500 34.370 1.00 0.00 O ATOM 748 OD2 ASP A 46 64.220 72.630 33.470 1.00 0.00 O ATOM 0 H ASP A 46 64.023 75.524 31.200 1.00 0.00 H new ATOM 0 HA ASP A 46 64.876 76.543 33.709 1.00 0.00 H new ATOM 0 HB2 ASP A 46 65.676 74.139 32.022 1.00 0.00 H new ATOM 0 HB3 ASP A 46 66.451 74.478 33.556 1.00 0.00 H new ATOM 753 N MET A 47 66.940 76.790 31.100 1.00 0.00 N ATOM 754 CA MET A 47 68.170 77.460 30.660 1.00 0.00 C ATOM 755 C MET A 47 68.170 79.000 30.910 1.00 0.00 C ATOM 756 O MET A 47 69.120 79.540 31.430 1.00 0.00 O ATOM 757 CB MET A 47 68.420 77.150 29.190 1.00 0.00 C ATOM 758 CG MET A 47 69.720 77.780 28.730 1.00 0.00 C ATOM 759 SD MET A 47 70.040 77.270 27.040 1.00 0.00 S ATOM 760 CE MET A 47 68.870 78.340 26.170 1.00 0.00 C ATOM 0 H MET A 47 66.409 76.331 30.360 1.00 0.00 H new ATOM 0 HA MET A 47 68.983 77.065 31.270 1.00 0.00 H new ATOM 0 HB2 MET A 47 68.459 76.071 29.041 1.00 0.00 H new ATOM 0 HB3 MET A 47 67.593 77.526 28.587 1.00 0.00 H new ATOM 0 HG2 MET A 47 69.656 78.866 28.791 1.00 0.00 H new ATOM 0 HG3 MET A 47 70.540 77.472 29.379 1.00 0.00 H new ATOM 0 HE1 MET A 47 68.158 77.727 25.617 1.00 0.00 H new ATOM 0 HE2 MET A 47 68.334 78.956 26.892 1.00 0.00 H new ATOM 0 HE3 MET A 47 69.411 78.982 25.476 1.00 0.00 H new ATOM 770 N LEU A 48 67.080 79.690 30.550 1.00 0.00 N ATOM 771 CA LEU A 48 67.060 81.160 30.720 1.00 0.00 C ATOM 772 C LEU A 48 67.120 81.500 32.230 1.00 0.00 C ATOM 773 O LEU A 48 67.790 82.440 32.640 1.00 0.00 O ATOM 774 CB LEU A 48 65.790 81.780 30.120 1.00 0.00 C ATOM 775 CG LEU A 48 65.770 81.740 28.590 1.00 0.00 C ATOM 776 CD1 LEU A 48 64.430 82.250 28.060 1.00 0.00 C ATOM 777 CD2 LEU A 48 66.880 82.580 27.990 1.00 0.00 C ATOM 0 H LEU A 48 66.232 79.283 30.156 1.00 0.00 H new ATOM 0 HA LEU A 48 67.923 81.572 30.197 1.00 0.00 H new ATOM 0 HB2 LEU A 48 64.918 81.250 30.503 1.00 0.00 H new ATOM 0 HB3 LEU A 48 65.706 82.815 30.452 1.00 0.00 H new ATOM 0 HG LEU A 48 65.919 80.701 28.298 1.00 0.00 H new ATOM 0 HD11 LEU A 48 64.433 82.215 26.971 1.00 0.00 H new ATOM 0 HD12 LEU A 48 63.625 81.622 28.441 1.00 0.00 H new ATOM 0 HD13 LEU A 48 64.276 83.277 28.390 1.00 0.00 H new ATOM 0 HD21 LEU A 48 66.831 82.525 26.903 1.00 0.00 H new ATOM 0 HD22 LEU A 48 66.763 83.617 28.306 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.845 82.204 28.329 1.00 0.00 H new ATOM 789 N LYS A 49 66.440 80.680 33.030 1.00 0.00 N ATOM 790 CA LYS A 49 66.510 80.890 34.460 1.00 0.00 C ATOM 791 C LYS A 49 67.910 80.630 35.010 1.00 0.00 C ATOM 792 O LYS A 49 68.350 81.330 35.910 1.00 0.00 O ATOM 793 CB LYS A 49 65.500 79.980 35.160 1.00 0.00 C ATOM 794 CG LYS A 49 64.080 80.410 34.810 1.00 0.00 C ATOM 795 CD LYS A 49 63.060 79.590 35.540 1.00 0.00 C ATOM 796 CE LYS A 49 61.630 79.980 35.260 1.00 0.00 C ATOM 797 NZ LYS A 49 60.700 79.090 35.970 1.00 0.00 N ATOM 0 H LYS A 49 65.860 79.899 32.723 1.00 0.00 H new ATOM 0 HA LYS A 49 66.271 81.935 34.655 1.00 0.00 H new ATOM 0 HB2 LYS A 49 65.660 78.945 34.858 1.00 0.00 H new ATOM 0 HB3 LYS A 49 65.646 80.023 36.239 1.00 0.00 H new ATOM 0 HG2 LYS A 49 63.946 81.463 35.058 1.00 0.00 H new ATOM 0 HG3 LYS A 49 63.924 80.313 33.736 1.00 0.00 H new ATOM 0 HD2 LYS A 49 63.197 78.542 35.274 1.00 0.00 H new ATOM 0 HD3 LYS A 49 63.243 79.674 36.611 1.00 0.00 H new ATOM 0 HE2 LYS A 49 61.462 81.011 35.570 1.00 0.00 H new ATOM 0 HE3 LYS A 49 61.438 79.934 34.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 59.721 79.375 35.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 60.849 78.110 35.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 60.871 79.154 36.994 1.00 0.00 H new ATOM 811 N ALA A 50 68.590 79.660 34.450 1.00 0.00 N ATOM 812 CA ALA A 50 69.930 79.420 34.850 1.00 0.00 C ATOM 813 C ALA A 50 70.880 80.570 34.750 1.00 0.00 C ATOM 814 O ALA A 50 71.640 80.810 35.650 1.00 0.00 O ATOM 815 CB ALA A 50 70.420 78.330 33.920 1.00 0.00 C ATOM 0 H ALA A 50 68.232 79.037 33.726 1.00 0.00 H new ATOM 0 HA ALA A 50 69.914 79.179 35.913 1.00 0.00 H new ATOM 0 HB1 ALA A 50 71.454 78.083 34.162 1.00 0.00 H new ATOM 0 HB2 ALA A 50 69.797 77.443 34.039 1.00 0.00 H new ATOM 0 HB3 ALA A 50 70.362 78.678 32.889 1.00 0.00 H new ATOM 821 N VAL A 51 70.740 81.330 33.660 1.00 0.00 N ATOM 822 CA VAL A 51 71.600 82.510 33.450 1.00 0.00 C ATOM 823 C VAL A 51 71.580 83.450 34.670 1.00 0.00 C ATOM 824 O VAL A 51 72.590 83.870 35.170 1.00 0.00 O ATOM 825 CB VAL A 51 71.170 83.280 32.220 1.00 0.00 C ATOM 826 CG1 VAL A 51 72.020 84.520 32.070 1.00 0.00 C ATOM 827 CG2 VAL A 51 71.310 82.580 30.940 1.00 0.00 C ATOM 0 H VAL A 51 70.057 81.160 32.922 1.00 0.00 H new ATOM 0 HA VAL A 51 72.616 82.142 33.309 1.00 0.00 H new ATOM 0 HB VAL A 51 70.111 83.466 32.400 1.00 0.00 H new ATOM 0 HG11 VAL A 51 71.707 85.071 31.183 1.00 0.00 H new ATOM 0 HG12 VAL A 51 71.901 85.152 32.950 1.00 0.00 H new ATOM 0 HG13 VAL A 51 73.067 84.233 31.968 1.00 0.00 H new ATOM 0 HG21 VAL A 51 70.972 83.228 30.132 1.00 0.00 H new ATOM 0 HG22 VAL A 51 72.356 82.318 30.781 1.00 0.00 H new ATOM 0 HG23 VAL A 51 70.707 81.672 30.954 1.00 0.00 H new ATOM 837 N ASP A 52 70.360 83.760 35.130 1.00 0.00 N ATOM 838 CA ASP A 52 70.130 84.620 36.290 1.00 0.00 C ATOM 839 C ASP A 52 70.430 83.850 37.550 1.00 0.00 C ATOM 840 O ASP A 52 71.100 84.430 38.410 1.00 0.00 O ATOM 841 CB ASP A 52 68.640 85.040 36.310 1.00 0.00 C ATOM 842 CG ASP A 52 68.550 86.060 35.130 1.00 0.00 C ATOM 843 OD1 ASP A 52 69.490 86.500 34.590 1.00 0.00 O ATOM 844 OD2 ASP A 52 67.360 86.450 34.690 1.00 0.00 O ATOM 0 H ASP A 52 69.501 83.416 34.701 1.00 0.00 H new ATOM 0 HA ASP A 52 70.773 85.498 36.231 1.00 0.00 H new ATOM 0 HB2 ASP A 52 67.978 84.188 36.159 1.00 0.00 H new ATOM 0 HB3 ASP A 52 68.361 85.496 37.260 1.00 0.00 H new ATOM 849 N PHE A 53 70.070 82.590 37.650 1.00 0.00 N ATOM 850 CA PHE A 53 70.330 81.900 38.910 1.00 0.00 C ATOM 851 C PHE A 53 71.780 81.810 39.170 1.00 0.00 C ATOM 852 O PHE A 53 72.170 81.980 40.330 1.00 0.00 O ATOM 853 CB PHE A 53 69.700 80.510 38.910 1.00 0.00 C ATOM 854 CG PHE A 53 68.200 80.530 38.920 1.00 0.00 C ATOM 855 CD1 PHE A 53 67.530 81.750 39.050 1.00 0.00 C ATOM 856 CD2 PHE A 53 67.480 79.340 38.790 1.00 0.00 C ATOM 857 CE1 PHE A 53 66.130 81.770 38.980 1.00 0.00 C ATOM 858 CE2 PHE A 53 66.070 79.380 38.770 1.00 0.00 C ATOM 859 CZ PHE A 53 65.460 80.620 38.790 1.00 0.00 C ATOM 0 H PHE A 53 69.619 82.038 36.920 1.00 0.00 H new ATOM 0 HA PHE A 53 69.874 82.482 39.711 1.00 0.00 H new ATOM 0 HB2 PHE A 53 70.042 79.965 38.030 1.00 0.00 H new ATOM 0 HB3 PHE A 53 70.053 79.960 39.782 1.00 0.00 H new ATOM 0 HD1 PHE A 53 68.083 82.665 39.202 1.00 0.00 H new ATOM 0 HD2 PHE A 53 67.999 78.397 38.705 1.00 0.00 H new ATOM 0 HE1 PHE A 53 65.594 82.702 39.078 1.00 0.00 H new ATOM 0 HE2 PHE A 53 65.487 78.472 38.740 1.00 0.00 H new ATOM 0 HZ PHE A 53 64.391 80.668 38.646 1.00 0.00 H new ATOM 869 N PHE A 54 72.550 81.590 38.120 1.00 0.00 N ATOM 870 CA PHE A 54 74.000 81.410 38.290 1.00 0.00 C ATOM 871 C PHE A 54 74.610 82.660 38.880 1.00 0.00 C ATOM 872 O PHE A 54 75.390 82.540 39.800 1.00 0.00 O ATOM 873 CB PHE A 54 74.670 81.030 36.980 1.00 0.00 C ATOM 874 CG PHE A 54 74.320 79.660 36.510 1.00 0.00 C ATOM 875 CD1 PHE A 54 73.880 78.730 37.390 1.00 0.00 C ATOM 876 CD2 PHE A 54 74.410 79.290 35.170 1.00 0.00 C ATOM 877 CE1 PHE A 54 73.600 77.480 36.920 1.00 0.00 C ATOM 878 CE2 PHE A 54 74.100 78.020 34.660 1.00 0.00 C ATOM 879 CZ PHE A 54 73.760 77.080 35.560 1.00 0.00 C ATOM 0 H PHE A 54 72.217 81.531 37.158 1.00 0.00 H new ATOM 0 HA PHE A 54 74.166 80.585 38.982 1.00 0.00 H new ATOM 0 HB2 PHE A 54 74.388 81.752 36.214 1.00 0.00 H new ATOM 0 HB3 PHE A 54 75.751 81.099 37.100 1.00 0.00 H new ATOM 0 HD1 PHE A 54 73.754 78.971 38.435 1.00 0.00 H new ATOM 0 HD2 PHE A 54 74.745 80.040 34.468 1.00 0.00 H new ATOM 0 HE1 PHE A 54 73.234 76.746 37.623 1.00 0.00 H new ATOM 0 HE2 PHE A 54 74.133 77.809 33.601 1.00 0.00 H new ATOM 0 HZ PHE A 54 73.612 76.053 35.262 1.00 0.00 H new ATOM 889 N LYS A 55 74.210 83.830 38.390 1.00 0.00 N ATOM 890 CA LYS A 55 74.600 85.140 38.950 1.00 0.00 C ATOM 891 C LYS A 55 74.040 85.370 40.300 1.00 0.00 C ATOM 892 O LYS A 55 74.760 85.950 41.150 1.00 0.00 O ATOM 893 CB LYS A 55 74.110 86.240 38.010 1.00 0.00 C ATOM 894 CG LYS A 55 74.870 86.190 36.700 1.00 0.00 C ATOM 895 CD LYS A 55 74.370 87.280 35.760 1.00 0.00 C ATOM 896 CE LYS A 55 75.150 87.210 34.450 1.00 0.00 C ATOM 897 NZ LYS A 55 74.660 88.260 33.550 1.00 0.00 N ATOM 0 H LYS A 55 73.595 83.906 37.579 1.00 0.00 H new ATOM 0 HA LYS A 55 75.686 85.153 39.042 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.043 86.120 37.824 1.00 0.00 H new ATOM 0 HB3 LYS A 55 74.244 87.215 38.479 1.00 0.00 H new ATOM 0 HG2 LYS A 55 75.936 86.320 36.885 1.00 0.00 H new ATOM 0 HG3 LYS A 55 74.744 85.212 36.235 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.304 87.152 35.570 1.00 0.00 H new ATOM 0 HD3 LYS A 55 74.496 88.260 36.220 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.216 87.341 34.638 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.026 86.230 33.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.185 88.221 32.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.647 88.114 33.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.800 89.190 33.993 1.00 0.00 H new ATOM 911 N GLU A 56 72.780 85.030 40.530 1.00 0.00 N ATOM 912 CA GLU A 56 72.130 85.310 41.790 1.00 0.00 C ATOM 913 C GLU A 56 72.880 84.610 43.000 1.00 0.00 C ATOM 914 O GLU A 56 72.860 84.980 44.150 1.00 0.00 O ATOM 915 CB GLU A 56 70.680 84.880 41.730 1.00 0.00 C ATOM 916 CG GLU A 56 69.840 85.760 40.820 1.00 0.00 C ATOM 917 CD GLU A 56 68.370 85.300 40.750 1.00 0.00 C ATOM 918 OE1 GLU A 56 68.050 84.340 41.480 1.00 0.00 O ATOM 919 OE2 GLU A 56 67.530 85.890 40.060 1.00 0.00 O ATOM 0 H GLU A 56 72.187 84.555 39.849 1.00 0.00 H new ATOM 0 HA GLU A 56 72.171 86.385 41.964 1.00 0.00 H new ATOM 0 HB2 GLU A 56 70.626 83.849 41.381 1.00 0.00 H new ATOM 0 HB3 GLU A 56 70.259 84.899 42.735 1.00 0.00 H new ATOM 0 HG2 GLU A 56 69.879 86.789 41.177 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.268 85.754 39.817 1.00 0.00 H new ATOM 926 N LYS A 57 73.530 83.480 42.740 1.00 0.00 N ATOM 927 CA LYS A 57 74.400 82.830 43.720 1.00 0.00 C ATOM 928 C LYS A 57 75.900 83.020 43.410 1.00 0.00 C ATOM 929 O LYS A 57 76.330 82.960 42.270 1.00 0.00 O ATOM 930 CB LYS A 57 74.050 81.340 43.770 1.00 0.00 C ATOM 931 CG LYS A 57 72.700 81.140 44.470 1.00 0.00 C ATOM 932 CD LYS A 57 72.380 79.650 44.490 1.00 0.00 C ATOM 933 CE LYS A 57 71.100 79.450 45.230 1.00 0.00 C ATOM 934 NZ LYS A 57 70.870 77.960 45.310 1.00 0.00 N ATOM 0 H LYS A 57 73.470 82.989 41.848 1.00 0.00 H new ATOM 0 HA LYS A 57 74.228 83.299 44.689 1.00 0.00 H new ATOM 0 HB2 LYS A 57 74.008 80.934 42.759 1.00 0.00 H new ATOM 0 HB3 LYS A 57 74.829 80.793 44.301 1.00 0.00 H new ATOM 0 HG2 LYS A 57 72.739 81.532 45.486 1.00 0.00 H new ATOM 0 HG3 LYS A 57 71.917 81.688 43.946 1.00 0.00 H new ATOM 0 HD2 LYS A 57 72.293 79.268 43.473 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.186 79.096 44.971 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.158 79.886 46.227 1.00 0.00 H new ATOM 0 HE3 LYS A 57 70.275 79.941 44.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 69.909 77.739 44.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 71.563 77.469 44.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 70.980 77.644 46.295 1.00 0.00 H new ATOM 948 N GLY A 58 76.710 83.120 44.440 1.00 0.00 N ATOM 949 CA GLY A 58 78.140 83.440 44.380 1.00 0.00 C ATOM 950 C GLY A 58 79.180 82.360 44.010 1.00 0.00 C ATOM 951 O GLY A 58 80.310 82.580 43.820 1.00 0.00 O ATOM 0 H GLY A 58 76.384 82.975 45.396 1.00 0.00 H new ATOM 0 HA2 GLY A 58 78.256 84.254 43.664 1.00 0.00 H new ATOM 0 HA3 GLY A 58 78.421 83.833 45.357 1.00 0.00 H new ATOM 955 N HIS A 59 78.710 81.120 43.990 1.00 0.00 N ATOM 956 CA HIS A 59 79.590 79.960 43.890 1.00 0.00 C ATOM 957 C HIS A 59 80.400 79.780 42.560 1.00 0.00 C ATOM 958 O HIS A 59 81.570 79.420 42.550 1.00 0.00 O ATOM 959 CB HIS A 59 78.660 78.770 44.120 1.00 0.00 C ATOM 960 CG HIS A 59 78.140 78.710 45.530 1.00 0.00 C ATOM 961 ND1 HIS A 59 78.950 78.480 46.620 1.00 0.00 N ATOM 962 CD2 HIS A 59 76.860 78.900 45.970 1.00 0.00 C ATOM 963 CE1 HIS A 59 78.160 78.500 47.680 1.00 0.00 C ATOM 964 NE2 HIS A 59 76.900 78.790 47.330 1.00 0.00 N ATOM 0 H HIS A 59 77.718 80.889 44.042 1.00 0.00 H new ATOM 0 HA HIS A 59 80.394 80.074 44.618 1.00 0.00 H new ATOM 0 HB2 HIS A 59 77.820 78.831 43.428 1.00 0.00 H new ATOM 0 HB3 HIS A 59 79.193 77.847 43.893 1.00 0.00 H new ATOM 0 HD1 HIS A 59 79.958 78.325 46.611 1.00 0.00 H new ATOM 0 HD2 HIS A 59 75.990 79.098 45.362 1.00 0.00 H new ATOM 0 HE1 HIS A 59 78.487 78.308 48.691 1.00 0.00 H new ATOM 972 N THR A 60 79.730 79.980 41.440 1.00 0.00 N ATOM 973 CA THR A 60 80.350 79.880 40.100 1.00 0.00 C ATOM 974 C THR A 60 81.350 81.020 39.950 1.00 0.00 C ATOM 975 O THR A 60 81.160 82.090 40.560 1.00 0.00 O ATOM 976 CB THR A 60 79.340 79.900 38.940 1.00 0.00 C ATOM 977 OG1 THR A 60 79.980 79.540 37.740 1.00 0.00 O ATOM 978 CG2 THR A 60 78.760 81.300 38.750 1.00 0.00 C ATOM 0 H THR A 60 78.738 80.218 41.417 1.00 0.00 H new ATOM 0 HA THR A 60 80.841 78.909 40.038 1.00 0.00 H new ATOM 0 HB THR A 60 78.544 79.196 39.183 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.846 79.127 37.942 1.00 0.00 H new ATOM 0 HG21 THR A 60 78.048 81.290 37.924 1.00 0.00 H new ATOM 0 HG22 THR A 60 78.252 81.610 39.663 1.00 0.00 H new ATOM 0 HG23 THR A 60 79.565 82.000 38.527 1.00 0.00 H new ATOM 986 N ALA A 61 82.410 80.790 39.200 1.00 0.00 N ATOM 987 CA ALA A 61 83.270 81.840 38.730 1.00 0.00 C ATOM 988 C ALA A 61 82.720 82.270 37.370 1.00 0.00 C ATOM 989 O ALA A 61 82.600 83.470 37.090 1.00 0.00 O ATOM 990 CB ALA A 61 84.720 81.350 38.540 1.00 0.00 C ATOM 0 H ALA A 61 82.695 79.857 38.901 1.00 0.00 H new ATOM 0 HA ALA A 61 83.289 82.653 39.456 1.00 0.00 H new ATOM 0 HB1 ALA A 61 85.339 82.174 38.184 1.00 0.00 H new ATOM 0 HB2 ALA A 61 85.110 80.989 39.492 1.00 0.00 H new ATOM 0 HB3 ALA A 61 84.738 80.541 37.810 1.00 0.00 H new ATOM 996 N TYR A 62 82.390 81.300 36.510 1.00 0.00 N ATOM 997 CA TYR A 62 82.410 81.520 35.060 1.00 0.00 C ATOM 998 C TYR A 62 81.310 80.790 34.320 1.00 0.00 C ATOM 999 O TYR A 62 81.250 79.570 34.300 1.00 0.00 O ATOM 1000 CB TYR A 62 83.780 81.060 34.510 1.00 0.00 C ATOM 1001 CG TYR A 62 83.850 81.110 33.000 1.00 0.00 C ATOM 1002 CD1 TYR A 62 84.150 82.280 32.350 1.00 0.00 C ATOM 1003 CD2 TYR A 62 83.630 79.950 32.230 1.00 0.00 C ATOM 1004 CE1 TYR A 62 84.170 82.350 30.980 1.00 0.00 C ATOM 1005 CE2 TYR A 62 83.670 79.970 30.840 1.00 0.00 C ATOM 1006 CZ TYR A 62 83.940 81.200 30.210 1.00 0.00 C ATOM 1007 OH TYR A 62 84.030 81.480 28.940 1.00 0.00 O ATOM 0 H TYR A 62 82.108 80.361 36.791 1.00 0.00 H new ATOM 0 HA TYR A 62 82.243 82.585 34.895 1.00 0.00 H new ATOM 0 HB2 TYR A 62 84.565 81.691 34.927 1.00 0.00 H new ATOM 0 HB3 TYR A 62 83.978 80.042 34.845 1.00 0.00 H new ATOM 0 HD1 TYR A 62 84.375 83.164 32.928 1.00 0.00 H new ATOM 0 HD2 TYR A 62 83.424 79.018 32.735 1.00 0.00 H new ATOM 0 HE1 TYR A 62 84.364 83.294 30.492 1.00 0.00 H new ATOM 0 HE2 TYR A 62 83.500 79.073 30.263 1.00 0.00 H new ATOM 0 HH TYR A 62 83.868 80.669 28.414 1.00 0.00 H new ATOM 1017 N LEU A 63 80.460 81.540 33.610 1.00 0.00 N ATOM 1018 CA LEU A 63 79.450 80.930 32.710 1.00 0.00 C ATOM 1019 C LEU A 63 79.590 81.320 31.240 1.00 0.00 C ATOM 1020 O LEU A 63 79.670 82.510 30.930 1.00 0.00 O ATOM 1021 CB LEU A 63 78.060 81.290 33.250 1.00 0.00 C ATOM 1022 CG LEU A 63 76.930 80.790 32.340 1.00 0.00 C ATOM 1023 CD1 LEU A 63 76.970 79.290 32.230 1.00 0.00 C ATOM 1024 CD2 LEU A 63 75.590 81.230 32.890 1.00 0.00 C ATOM 0 H LEU A 63 80.443 82.560 33.634 1.00 0.00 H new ATOM 0 HA LEU A 63 79.610 79.852 32.715 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.938 80.862 34.245 1.00 0.00 H new ATOM 0 HB3 LEU A 63 77.984 82.372 33.357 1.00 0.00 H new ATOM 0 HG LEU A 63 77.067 81.218 31.347 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.162 78.951 31.581 1.00 0.00 H new ATOM 0 HD12 LEU A 63 77.927 78.981 31.809 1.00 0.00 H new ATOM 0 HD13 LEU A 63 76.850 78.849 33.220 1.00 0.00 H new ATOM 0 HD21 LEU A 63 74.794 80.871 32.238 1.00 0.00 H new ATOM 0 HD22 LEU A 63 75.454 80.818 33.890 1.00 0.00 H new ATOM 0 HD23 LEU A 63 75.556 82.318 32.938 1.00 0.00 H new ATOM 1036 N ASP A 64 79.460 80.340 30.340 1.00 0.00 N ATOM 1037 CA ASP A 64 79.380 80.580 28.870 1.00 0.00 C ATOM 1038 C ASP A 64 78.610 79.530 28.070 1.00 0.00 C ATOM 1039 O ASP A 64 78.190 78.510 28.640 1.00 0.00 O ATOM 1040 CB ASP A 64 80.780 80.730 28.350 1.00 0.00 C ATOM 1041 CG ASP A 64 81.020 81.490 27.080 1.00 0.00 C ATOM 1042 OD1 ASP A 64 79.780 82.020 26.540 1.00 0.00 O ATOM 1043 OD2 ASP A 64 81.990 81.630 26.570 1.00 0.00 O ATOM 0 H ASP A 64 79.406 79.354 30.596 1.00 0.00 H new ATOM 0 HA ASP A 64 78.794 81.488 28.730 1.00 0.00 H new ATOM 0 HB2 ASP A 64 81.369 81.208 29.133 1.00 0.00 H new ATOM 0 HB3 ASP A 64 81.186 79.728 28.212 1.00 0.00 H new ATOM 1048 N GLU A 65 78.330 79.720 26.770 1.00 0.00 N ATOM 1049 CA GLU A 65 77.630 78.630 26.060 1.00 0.00 C ATOM 1050 C GLU A 65 78.560 77.480 25.830 1.00 0.00 C ATOM 1051 O GLU A 65 79.800 77.670 25.840 1.00 0.00 O ATOM 1052 CB GLU A 65 77.010 79.070 24.750 1.00 0.00 C ATOM 1053 CG GLU A 65 75.900 80.100 24.940 1.00 0.00 C ATOM 1054 CD GLU A 65 75.330 80.590 23.610 1.00 0.00 C ATOM 1055 OE1 GLU A 65 75.850 80.160 22.560 1.00 0.00 O ATOM 1056 OE2 GLU A 65 74.410 81.440 23.650 1.00 0.00 O ATOM 0 H GLU A 65 78.555 80.549 26.221 1.00 0.00 H new ATOM 0 HA GLU A 65 76.808 78.318 26.705 1.00 0.00 H new ATOM 0 HB2 GLU A 65 77.785 79.491 24.109 1.00 0.00 H new ATOM 0 HB3 GLU A 65 76.607 78.199 24.233 1.00 0.00 H new ATOM 0 HG2 GLU A 65 75.100 79.662 25.537 1.00 0.00 H new ATOM 0 HG3 GLU A 65 76.288 80.950 25.502 1.00 0.00 H new ATOM 1063 N VAL A 66 78.040 76.310 25.530 1.00 0.00 N ATOM 1064 CA VAL A 66 78.820 75.430 24.630 1.00 0.00 C ATOM 1065 C VAL A 66 78.600 75.890 23.160 1.00 0.00 C ATOM 1066 O VAL A 66 77.680 76.560 22.800 1.00 0.00 O ATOM 1067 CB VAL A 66 78.470 73.950 24.800 1.00 0.00 C ATOM 1068 CG1 VAL A 66 78.640 73.490 26.250 1.00 0.00 C ATOM 1069 CG2 VAL A 66 77.050 73.680 24.380 1.00 0.00 C ATOM 0 H VAL A 66 77.146 75.946 25.859 1.00 0.00 H new ATOM 0 HA VAL A 66 79.873 75.521 24.895 1.00 0.00 H new ATOM 0 HB VAL A 66 79.159 73.394 24.164 1.00 0.00 H new ATOM 0 HG11 VAL A 66 78.382 72.434 26.329 1.00 0.00 H new ATOM 0 HG12 VAL A 66 79.675 73.635 26.559 1.00 0.00 H new ATOM 0 HG13 VAL A 66 77.984 74.073 26.896 1.00 0.00 H new ATOM 0 HG21 VAL A 66 76.827 72.621 24.511 1.00 0.00 H new ATOM 0 HG22 VAL A 66 76.370 74.272 24.993 1.00 0.00 H new ATOM 0 HG23 VAL A 66 76.923 73.951 23.332 1.00 0.00 H new ATOM 1079 N ARG A 67 79.450 75.450 22.250 1.00 0.00 N ATOM 1080 CA ARG A 67 79.350 75.500 20.780 1.00 0.00 C ATOM 1081 C ARG A 67 78.340 74.540 20.130 1.00 0.00 C ATOM 1082 O ARG A 67 77.700 74.900 19.130 1.00 0.00 O ATOM 1083 CB ARG A 67 80.760 75.180 20.290 1.00 0.00 C ATOM 1084 CG ARG A 67 81.710 76.320 20.590 1.00 0.00 C ATOM 1085 CD ARG A 67 83.110 75.980 20.130 1.00 0.00 C ATOM 1086 NE ARG A 67 84.030 77.110 20.390 1.00 0.00 N ATOM 1087 CZ ARG A 67 84.140 78.150 19.610 1.00 0.00 C ATOM 1088 NH1 ARG A 67 83.400 78.260 18.520 1.00 0.00 N ATOM 1089 NH2 ARG A 67 84.970 79.120 19.900 1.00 0.00 N ATOM 0 H ARG A 67 80.319 75.001 22.539 1.00 0.00 H new ATOM 0 HA ARG A 67 78.972 76.481 20.493 1.00 0.00 H new ATOM 0 HB2 ARG A 67 81.117 74.268 20.769 1.00 0.00 H new ATOM 0 HB3 ARG A 67 80.742 74.990 19.217 1.00 0.00 H new ATOM 0 HG2 ARG A 67 81.368 77.227 20.092 1.00 0.00 H new ATOM 0 HG3 ARG A 67 81.713 76.526 21.660 1.00 0.00 H new ATOM 0 HD2 ARG A 67 83.463 75.089 20.649 1.00 0.00 H new ATOM 0 HD3 ARG A 67 83.103 75.747 19.065 1.00 0.00 H new ATOM 0 HE ARG A 67 84.611 77.073 21.227 1.00 0.00 H new ATOM 0 HH11 ARG A 67 82.733 77.526 18.280 1.00 0.00 H new ATOM 0 HH12 ARG A 67 83.496 79.078 17.919 1.00 0.00 H new ATOM 0 HH21 ARG A 67 85.540 79.068 20.744 1.00 0.00 H new ATOM 0 HH22 ARG A 67 85.047 79.928 19.282 1.00 0.00 H new ATOM 1103 N VAL A 68 78.090 73.370 20.700 1.00 0.00 N ATOM 1104 CA VAL A 68 76.870 72.630 20.340 1.00 0.00 C ATOM 1105 C VAL A 68 75.620 73.410 20.720 1.00 0.00 C ATOM 1106 O VAL A 68 74.530 73.030 20.300 1.00 0.00 O ATOM 1107 CB VAL A 68 76.820 71.220 20.970 1.00 0.00 C ATOM 1108 CG1 VAL A 68 78.030 70.400 20.520 1.00 0.00 C ATOM 1109 CG2 VAL A 68 76.870 71.300 22.480 1.00 0.00 C ATOM 0 H VAL A 68 78.687 72.917 21.392 1.00 0.00 H new ATOM 0 HA VAL A 68 76.900 72.506 19.257 1.00 0.00 H new ATOM 0 HB VAL A 68 75.889 70.753 20.648 1.00 0.00 H new ATOM 0 HG11 VAL A 68 77.985 69.408 20.970 1.00 0.00 H new ATOM 0 HG12 VAL A 68 78.023 70.307 19.434 1.00 0.00 H new ATOM 0 HG13 VAL A 68 78.946 70.900 20.835 1.00 0.00 H new ATOM 0 HG21 VAL A 68 76.833 70.294 22.899 1.00 0.00 H new ATOM 0 HG22 VAL A 68 77.795 71.788 22.788 1.00 0.00 H new ATOM 0 HG23 VAL A 68 76.018 71.875 22.842 1.00 0.00 H new ATOM 1119 N SER A 69 75.730 74.520 21.470 1.00 0.00 N ATOM 1120 CA SER A 69 74.560 75.400 21.700 1.00 0.00 C ATOM 1121 C SER A 69 74.010 75.940 20.400 1.00 0.00 C ATOM 1122 O SER A 69 72.800 75.940 20.280 1.00 0.00 O ATOM 1123 CB SER A 69 74.870 76.560 22.610 1.00 0.00 C ATOM 1124 OG SER A 69 75.130 76.070 23.910 1.00 0.00 O ATOM 0 H SER A 69 76.592 74.828 21.919 1.00 0.00 H new ATOM 0 HA SER A 69 73.815 74.770 22.186 1.00 0.00 H new ATOM 0 HB2 SER A 69 75.733 77.111 22.236 1.00 0.00 H new ATOM 0 HB3 SER A 69 74.032 77.256 22.631 1.00 0.00 H new ATOM 0 HG SER A 69 74.288 75.996 24.406 1.00 0.00 H new ATOM 1130 N THR A 70 74.790 76.400 19.410 1.00 0.00 N ATOM 1131 CA THR A 70 74.070 76.950 18.240 1.00 0.00 C ATOM 1132 C THR A 70 73.220 75.830 17.590 1.00 0.00 C ATOM 1133 O THR A 70 72.070 76.080 17.200 1.00 0.00 O ATOM 1134 CB THR A 70 75.010 77.540 17.200 1.00 0.00 C ATOM 1135 OG1 THR A 70 75.910 76.560 16.730 1.00 0.00 O ATOM 1136 CG2 THR A 70 75.840 78.690 17.780 1.00 0.00 C ATOM 0 H THR A 70 75.810 76.409 19.381 1.00 0.00 H new ATOM 0 HA THR A 70 73.434 77.759 18.598 1.00 0.00 H new ATOM 0 HB THR A 70 74.384 77.910 16.388 1.00 0.00 H new ATOM 0 HG1 THR A 70 76.506 76.957 16.061 1.00 0.00 H new ATOM 0 HG21 THR A 70 76.500 79.087 17.009 1.00 0.00 H new ATOM 0 HG22 THR A 70 75.174 79.479 18.129 1.00 0.00 H new ATOM 0 HG23 THR A 70 76.437 78.323 18.615 1.00 0.00 H new ATOM 1144 N ASP A 71 73.760 74.620 17.550 1.00 0.00 N ATOM 1145 CA ASP A 71 73.060 73.500 16.940 1.00 0.00 C ATOM 1146 C ASP A 71 71.840 73.020 17.660 1.00 0.00 C ATOM 1147 O ASP A 71 70.810 72.770 17.020 1.00 0.00 O ATOM 1148 CB ASP A 71 74.040 72.330 16.780 1.00 0.00 C ATOM 1149 CG ASP A 71 74.940 72.810 15.690 1.00 0.00 C ATOM 1150 OD1 ASP A 71 74.850 73.730 15.020 1.00 0.00 O ATOM 1151 OD2 ASP A 71 76.110 72.010 15.640 1.00 0.00 O ATOM 0 H ASP A 71 74.678 74.390 17.932 1.00 0.00 H new ATOM 0 HA ASP A 71 72.695 73.876 15.984 1.00 0.00 H new ATOM 0 HB2 ASP A 71 74.588 72.131 17.701 1.00 0.00 H new ATOM 0 HB3 ASP A 71 73.529 71.407 16.507 1.00 0.00 H new ATOM 1156 N GLU A 72 71.950 72.940 18.970 1.00 0.00 N ATOM 1157 CA GLU A 72 70.890 72.260 19.700 1.00 0.00 C ATOM 1158 C GLU A 72 70.330 73.080 20.730 1.00 0.00 C ATOM 1159 O GLU A 72 69.110 72.950 21.060 1.00 0.00 O ATOM 1160 CB GLU A 72 71.420 71.030 20.410 1.00 0.00 C ATOM 1161 CG GLU A 72 71.860 69.980 19.400 1.00 0.00 C ATOM 1162 CD GLU A 72 72.410 68.770 20.130 1.00 0.00 C ATOM 1163 OE1 GLU A 72 72.410 68.790 21.360 1.00 0.00 O ATOM 1164 OE2 GLU A 72 72.880 67.830 19.430 1.00 0.00 O ATOM 0 H GLU A 72 72.716 73.313 19.530 1.00 0.00 H new ATOM 0 HA GLU A 72 70.140 72.010 18.950 1.00 0.00 H new ATOM 0 HB2 GLU A 72 72.260 71.305 21.047 1.00 0.00 H new ATOM 0 HB3 GLU A 72 70.648 70.617 21.060 1.00 0.00 H new ATOM 0 HG2 GLU A 72 71.017 69.687 18.774 1.00 0.00 H new ATOM 0 HG3 GLU A 72 72.620 70.394 18.738 1.00 0.00 H new ATOM 1171 N LYS A 73 71.090 74.080 21.300 1.00 0.00 N ATOM 1172 CA LYS A 73 70.750 74.590 22.580 1.00 0.00 C ATOM 1173 C LYS A 73 70.400 73.530 23.660 1.00 0.00 C ATOM 1174 O LYS A 73 69.350 73.700 24.290 1.00 0.00 O ATOM 1175 CB LYS A 73 69.610 75.630 22.470 1.00 0.00 C ATOM 1176 CG LYS A 73 70.080 76.920 21.730 1.00 0.00 C ATOM 1177 CD LYS A 73 68.910 77.890 21.560 1.00 0.00 C ATOM 1178 CE LYS A 73 69.370 79.170 20.880 1.00 0.00 C ATOM 1179 NZ LYS A 73 68.240 80.130 20.800 1.00 0.00 N ATOM 0 H LYS A 73 71.910 74.506 20.867 1.00 0.00 H new ATOM 0 HA LYS A 73 71.668 75.060 22.933 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.766 75.191 21.937 1.00 0.00 H new ATOM 0 HB3 LYS A 73 69.257 75.890 23.468 1.00 0.00 H new ATOM 0 HG2 LYS A 73 70.880 77.400 22.294 1.00 0.00 H new ATOM 0 HG3 LYS A 73 70.490 76.659 20.754 1.00 0.00 H new ATOM 0 HD2 LYS A 73 68.124 77.420 20.969 1.00 0.00 H new ATOM 0 HD3 LYS A 73 68.480 78.124 22.534 1.00 0.00 H new ATOM 0 HE2 LYS A 73 70.196 79.612 21.437 1.00 0.00 H new ATOM 0 HE3 LYS A 73 69.742 78.948 19.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 68.559 81.004 20.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 67.464 79.708 20.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 67.904 80.352 21.759 1.00 0.00 H new ATOM 1193 N ASP A 74 71.250 72.550 23.990 1.00 0.00 N ATOM 1194 CA ASP A 74 71.180 72.100 25.400 1.00 0.00 C ATOM 1195 C ASP A 74 72.100 72.740 26.430 1.00 0.00 C ATOM 1196 O ASP A 74 71.630 73.020 27.540 1.00 0.00 O ATOM 1197 CB ASP A 74 71.430 70.610 25.430 1.00 0.00 C ATOM 1198 CG ASP A 74 70.060 70.060 25.020 1.00 0.00 C ATOM 1199 OD1 ASP A 74 69.040 70.300 25.400 1.00 0.00 O ATOM 1200 OD2 ASP A 74 70.380 69.160 24.040 1.00 0.00 O ATOM 0 H ASP A 74 71.928 72.090 23.382 1.00 0.00 H new ATOM 0 HA ASP A 74 70.185 72.419 25.711 1.00 0.00 H new ATOM 0 HB2 ASP A 74 72.216 70.312 24.736 1.00 0.00 H new ATOM 0 HB3 ASP A 74 71.731 70.265 26.419 1.00 0.00 H new ATOM 1205 N PHE A 75 73.380 72.950 26.170 1.00 0.00 N ATOM 1206 CA PHE A 75 74.370 72.940 27.280 1.00 0.00 C ATOM 1207 C PHE A 75 74.960 74.340 27.570 1.00 0.00 C ATOM 1208 O PHE A 75 75.420 75.050 26.700 1.00 0.00 O ATOM 1209 CB PHE A 75 75.470 71.920 27.030 1.00 0.00 C ATOM 1210 CG PHE A 75 75.120 70.510 27.430 1.00 0.00 C ATOM 1211 CD1 PHE A 75 75.220 70.140 28.770 1.00 0.00 C ATOM 1212 CD2 PHE A 75 74.680 69.580 26.480 1.00 0.00 C ATOM 1213 CE1 PHE A 75 74.910 68.830 29.170 1.00 0.00 C ATOM 1214 CE2 PHE A 75 74.340 68.280 26.870 1.00 0.00 C ATOM 1215 CZ PHE A 75 74.440 67.910 28.220 1.00 0.00 C ATOM 0 H PHE A 75 73.766 73.125 25.242 1.00 0.00 H new ATOM 0 HA PHE A 75 73.826 72.641 28.176 1.00 0.00 H new ATOM 0 HB2 PHE A 75 75.723 71.931 25.970 1.00 0.00 H new ATOM 0 HB3 PHE A 75 76.363 72.227 27.574 1.00 0.00 H new ATOM 0 HD1 PHE A 75 75.538 70.865 29.505 1.00 0.00 H new ATOM 0 HD2 PHE A 75 74.603 69.867 25.442 1.00 0.00 H new ATOM 0 HE1 PHE A 75 75.032 68.533 30.201 1.00 0.00 H new ATOM 0 HE2 PHE A 75 74.002 67.564 26.135 1.00 0.00 H new ATOM 0 HZ PHE A 75 74.155 66.915 28.529 1.00 0.00 H new ATOM 1225 N LEU A 76 75.010 74.710 28.830 1.00 0.00 N ATOM 1226 CA LEU A 76 75.890 75.790 29.280 1.00 0.00 C ATOM 1227 C LEU A 76 77.170 75.260 29.930 1.00 0.00 C ATOM 1228 O LEU A 76 77.080 74.250 30.660 1.00 0.00 O ATOM 1229 CB LEU A 76 75.130 76.660 30.240 1.00 0.00 C ATOM 1230 CG LEU A 76 73.970 77.360 29.570 1.00 0.00 C ATOM 1231 CD1 LEU A 76 73.210 78.080 30.640 1.00 0.00 C ATOM 1232 CD2 LEU A 76 74.430 78.370 28.520 1.00 0.00 C ATOM 0 H LEU A 76 74.454 74.284 29.571 1.00 0.00 H new ATOM 0 HA LEU A 76 76.201 76.370 28.411 1.00 0.00 H new ATOM 0 HB2 LEU A 76 74.759 76.052 31.065 1.00 0.00 H new ATOM 0 HB3 LEU A 76 75.803 77.402 30.668 1.00 0.00 H new ATOM 0 HG LEU A 76 73.358 76.619 29.056 1.00 0.00 H new ATOM 0 HD11 LEU A 76 72.361 78.600 30.196 1.00 0.00 H new ATOM 0 HD12 LEU A 76 72.850 77.362 31.377 1.00 0.00 H new ATOM 0 HD13 LEU A 76 73.864 78.803 31.127 1.00 0.00 H new ATOM 0 HD21 LEU A 76 73.560 78.846 28.067 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.054 79.128 28.993 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.005 77.857 27.749 1.00 0.00 H new ATOM 1244 N TYR A 77 78.320 75.850 29.660 1.00 0.00 N ATOM 1245 CA TYR A 77 79.560 75.450 30.290 1.00 0.00 C ATOM 1246 C TYR A 77 79.750 76.350 31.510 1.00 0.00 C ATOM 1247 O TYR A 77 80.020 77.550 31.330 1.00 0.00 O ATOM 1248 CB TYR A 77 80.770 75.520 29.360 1.00 0.00 C ATOM 1249 CG TYR A 77 82.030 74.950 29.980 1.00 0.00 C ATOM 1250 CD1 TYR A 77 81.940 73.880 30.890 1.00 0.00 C ATOM 1251 CD2 TYR A 77 83.290 75.480 29.660 1.00 0.00 C ATOM 1252 CE1 TYR A 77 83.080 73.350 31.490 1.00 0.00 C ATOM 1253 CE2 TYR A 77 84.450 74.950 30.260 1.00 0.00 C ATOM 1254 CZ TYR A 77 84.330 73.890 31.190 1.00 0.00 C ATOM 1255 OH TYR A 77 85.390 73.310 31.820 1.00 0.00 O ATOM 0 H TYR A 77 78.418 76.619 28.998 1.00 0.00 H new ATOM 0 HA TYR A 77 79.491 74.400 30.573 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.547 74.977 28.441 1.00 0.00 H new ATOM 0 HB3 TYR A 77 80.947 76.559 29.081 1.00 0.00 H new ATOM 0 HD1 TYR A 77 80.972 73.463 31.127 1.00 0.00 H new ATOM 0 HD2 TYR A 77 83.370 76.294 28.954 1.00 0.00 H new ATOM 0 HE1 TYR A 77 82.996 72.526 32.183 1.00 0.00 H new ATOM 0 HE2 TYR A 77 85.422 75.349 30.012 1.00 0.00 H new ATOM 0 HH TYR A 77 86.218 73.756 31.545 1.00 0.00 H new ATOM 1265 N GLU A 78 79.550 75.830 32.710 1.00 0.00 N ATOM 1266 CA GLU A 78 79.560 76.700 33.890 1.00 0.00 C ATOM 1267 C GLU A 78 80.560 76.170 34.910 1.00 0.00 C ATOM 1268 O GLU A 78 80.560 74.990 35.250 1.00 0.00 O ATOM 1269 CB GLU A 78 78.190 76.780 34.530 1.00 0.00 C ATOM 1270 CG GLU A 78 78.190 77.710 35.750 1.00 0.00 C ATOM 1271 CD GLU A 78 77.150 77.270 36.760 1.00 0.00 C ATOM 1272 OE1 GLU A 78 76.450 76.350 36.420 1.00 0.00 O ATOM 1273 OE2 GLU A 78 77.070 77.940 37.850 1.00 0.00 O ATOM 0 H GLU A 78 79.383 74.841 32.898 1.00 0.00 H new ATOM 0 HA GLU A 78 79.847 77.700 33.567 1.00 0.00 H new ATOM 0 HB2 GLU A 78 77.466 77.139 33.798 1.00 0.00 H new ATOM 0 HB3 GLU A 78 77.870 75.783 34.832 1.00 0.00 H new ATOM 0 HG2 GLU A 78 79.177 77.710 36.213 1.00 0.00 H new ATOM 0 HG3 GLU A 78 77.987 78.733 35.433 1.00 0.00 H new ATOM 1280 N LEU A 79 81.490 77.000 35.390 1.00 0.00 N ATOM 1281 CA LEU A 79 82.700 76.570 36.060 1.00 0.00 C ATOM 1282 C LEU A 79 82.700 77.130 37.460 1.00 0.00 C ATOM 1283 O LEU A 79 82.450 78.330 37.660 1.00 0.00 O ATOM 1284 CB LEU A 79 83.960 77.020 35.320 1.00 0.00 C ATOM 1285 CG LEU A 79 84.150 76.360 33.960 1.00 0.00 C ATOM 1286 CD1 LEU A 79 83.010 76.690 33.020 1.00 0.00 C ATOM 1287 CD2 LEU A 79 85.450 76.780 33.320 1.00 0.00 C ATOM 0 H LEU A 79 81.411 78.014 35.317 1.00 0.00 H new ATOM 0 HA LEU A 79 82.713 75.480 36.080 1.00 0.00 H new ATOM 0 HB2 LEU A 79 83.923 78.101 35.186 1.00 0.00 H new ATOM 0 HB3 LEU A 79 84.830 76.805 35.941 1.00 0.00 H new ATOM 0 HG LEU A 79 84.169 75.285 34.136 1.00 0.00 H new ATOM 0 HD11 LEU A 79 83.178 76.203 32.059 1.00 0.00 H new ATOM 0 HD12 LEU A 79 82.072 76.336 33.447 1.00 0.00 H new ATOM 0 HD13 LEU A 79 82.958 77.769 32.876 1.00 0.00 H new ATOM 0 HD21 LEU A 79 85.553 76.291 32.351 1.00 0.00 H new ATOM 0 HD22 LEU A 79 85.455 77.861 33.183 1.00 0.00 H new ATOM 0 HD23 LEU A 79 86.282 76.492 33.963 1.00 0.00 H new ATOM 1299 N HIS A 80 82.910 76.260 38.440 1.00 0.00 N ATOM 1300 CA HIS A 80 82.610 76.470 39.830 1.00 0.00 C ATOM 1301 C HIS A 80 83.870 76.590 40.550 1.00 0.00 C ATOM 1302 O HIS A 80 84.660 75.630 40.380 1.00 0.00 O ATOM 1303 CB HIS A 80 81.840 75.300 40.410 1.00 0.00 C ATOM 1304 CG HIS A 80 80.490 75.060 39.790 1.00 0.00 C ATOM 1305 ND1 HIS A 80 79.760 73.900 39.960 1.00 0.00 N ATOM 1306 CD2 HIS A 80 79.770 75.900 39.000 1.00 0.00 C ATOM 1307 CE1 HIS A 80 78.590 74.080 39.340 1.00 0.00 C ATOM 1308 NE2 HIS A 80 78.600 75.240 38.690 1.00 0.00 N ATOM 0 H HIS A 80 83.317 75.341 38.265 1.00 0.00 H new ATOM 0 HA HIS A 80 82.001 77.369 39.927 1.00 0.00 H new ATOM 0 HB2 HIS A 80 82.441 74.397 40.298 1.00 0.00 H new ATOM 0 HB3 HIS A 80 81.708 75.465 41.479 1.00 0.00 H new ATOM 0 HD1 HIS A 80 80.058 73.064 40.463 1.00 0.00 H new ATOM 0 HD2 HIS A 80 80.058 76.890 38.678 1.00 0.00 H new ATOM 0 HE1 HIS A 80 77.761 73.388 39.363 1.00 0.00 H new ATOM 1316 N ILE A 81 84.120 77.670 41.290 1.00 0.00 N ATOM 1317 CA ILE A 81 85.530 77.980 41.650 1.00 0.00 C ATOM 1318 C ILE A 81 86.320 78.180 40.340 1.00 0.00 C ATOM 1319 O ILE A 81 86.940 79.270 40.240 1.00 0.00 O ATOM 1320 CB ILE A 81 86.150 76.830 42.500 1.00 0.00 C ATOM 1321 CG1 ILE A 81 85.400 76.600 43.820 1.00 0.00 C ATOM 1322 CG2 ILE A 81 87.620 77.100 42.800 1.00 0.00 C ATOM 1323 CD1 ILE A 81 85.900 75.370 44.540 1.00 0.00 C ATOM 0 H ILE A 81 83.418 78.321 41.642 1.00 0.00 H new ATOM 0 HA ILE A 81 85.572 78.886 42.255 1.00 0.00 H new ATOM 0 HB ILE A 81 86.058 75.927 41.897 1.00 0.00 H new ATOM 0 HG12 ILE A 81 85.520 77.472 44.463 1.00 0.00 H new ATOM 0 HG13 ILE A 81 84.334 76.496 43.619 1.00 0.00 H new ATOM 0 HG21 ILE A 81 88.026 76.282 43.394 1.00 0.00 H new ATOM 0 HG22 ILE A 81 88.174 77.179 41.864 1.00 0.00 H new ATOM 0 HG23 ILE A 81 87.712 78.033 43.356 1.00 0.00 H new ATOM 0 HD11 ILE A 81 85.345 75.241 45.469 1.00 0.00 H new ATOM 0 HD12 ILE A 81 85.756 74.494 43.907 1.00 0.00 H new ATOM 0 HD13 ILE A 81 86.960 75.485 44.764 1.00 0.00 H new ATOM 1335 N ILE A 82 86.460 77.240 39.410 1.00 0.00 N ATOM 1336 CA ILE A 82 87.550 77.380 38.370 1.00 0.00 C ATOM 1337 C ILE A 82 86.940 78.360 37.290 1.00 0.00 C ATOM 1338 O ILE A 82 87.840 78.550 36.320 1.00 0.00 O ATOM 1339 CB ILE A 82 88.050 76.050 37.810 1.00 0.00 C ATOM 1340 CG1 ILE A 82 87.000 75.450 36.870 1.00 0.00 C ATOM 1341 CG2 ILE A 82 88.380 75.030 38.900 1.00 0.00 C ATOM 1342 CD1 ILE A 82 87.510 74.240 36.100 1.00 0.00 C ATOM 1343 OXT ILE A 82 85.900 78.770 37.340 1.00 0.00 O ATOM 0 H ILE A 82 85.881 76.404 39.329 1.00 0.00 H new ATOM 0 HA ILE A 82 88.468 77.785 38.797 1.00 0.00 H new ATOM 0 HB ILE A 82 88.972 76.268 37.271 1.00 0.00 H new ATOM 0 HG12 ILE A 82 86.124 75.161 37.451 1.00 0.00 H new ATOM 0 HG13 ILE A 82 86.676 76.213 36.163 1.00 0.00 H new ATOM 0 HG21 ILE A 82 88.730 74.106 38.440 1.00 0.00 H new ATOM 0 HG22 ILE A 82 89.159 75.430 39.549 1.00 0.00 H new ATOM 0 HG23 ILE A 82 87.486 74.826 39.490 1.00 0.00 H new ATOM 0 HD11 ILE A 82 86.719 73.861 35.452 1.00 0.00 H new ATOM 0 HD12 ILE A 82 88.368 74.530 35.494 1.00 0.00 H new ATOM 0 HD13 ILE A 82 87.808 73.461 36.802 1.00 0.00 H new