USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=18 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 69 SER OG : rot 88:sc= 0.477 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 60 THR OG1 : rot 6:sc= 1.07 USER MOD Set 2.2: A 80 HIS : no HE2:sc= -5.48! C(o=-4.4!,f=-5.1!) 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 :FLIP amide:sc= -0.63 F(o=-2.6!,f=-0.63) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0424 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 0.629 K(o=0.63,f=-3!) USER MOD Single : A 29 SER OG : rot -54:sc= -0.0573 USER MOD Single : A 32 LYS NZ :NH3+ -151:sc= -0.392 (180deg=-0.73) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -116:sc= 0.991 USER MOD Single : A 42 ASN : amide:sc= -0.0418 K(o=-0.042,f=-2.2!) USER MOD Single : A 44 HIS : no HD1:sc= -3.95! C(o=-3.9!,f=-7.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -136:sc= -0.267 (180deg=-0.957) USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= -0.475 (180deg=-0.482) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -1.83! X(o=-1.8!,f=-1.6) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 153:sc= -0.0377 USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 80.450 66.410 36.630 1.00 0.00 N ATOM 49 CA LYS A 4 80.780 67.840 36.490 1.00 0.00 C ATOM 50 C LYS A 4 79.600 68.590 35.920 1.00 0.00 C ATOM 51 O LYS A 4 79.800 69.670 35.370 1.00 0.00 O ATOM 52 CB LYS A 4 82.050 68.070 35.650 1.00 0.00 C ATOM 53 CG LYS A 4 83.300 67.480 36.310 1.00 0.00 C ATOM 54 CD LYS A 4 84.520 67.710 35.430 1.00 0.00 C ATOM 55 CE LYS A 4 85.720 67.110 36.140 1.00 0.00 C ATOM 56 NZ LYS A 4 86.860 67.320 35.300 1.00 0.00 N ATOM 0 HA LYS A 4 80.997 68.229 37.485 1.00 0.00 H new ATOM 0 HB2 LYS A 4 81.917 67.623 34.665 1.00 0.00 H new ATOM 0 HB3 LYS A 4 82.193 69.140 35.498 1.00 0.00 H new ATOM 0 HG2 LYS A 4 83.455 67.939 37.286 1.00 0.00 H new ATOM 0 HG3 LYS A 4 83.161 66.412 36.479 1.00 0.00 H new ATOM 0 HD2 LYS A 4 84.381 67.245 34.454 1.00 0.00 H new ATOM 0 HD3 LYS A 4 84.671 68.775 35.257 1.00 0.00 H new ATOM 0 HE2 LYS A 4 85.867 67.581 37.112 1.00 0.00 H new ATOM 0 HE3 LYS A 4 85.567 66.046 36.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 87.705 66.920 35.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 86.707 66.853 34.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 86.997 68.340 35.150 1.00 0.00 H new ATOM 70 N LEU A 5 78.420 68.000 35.800 1.00 0.00 N ATOM 71 CA LEU A 5 77.340 68.630 35.060 1.00 0.00 C ATOM 72 C LEU A 5 76.190 68.790 36.000 1.00 0.00 C ATOM 73 O LEU A 5 76.080 68.110 37.010 1.00 0.00 O ATOM 74 CB LEU A 5 76.860 67.870 33.810 1.00 0.00 C ATOM 75 CG LEU A 5 77.920 67.660 32.750 1.00 0.00 C ATOM 76 CD1 LEU A 5 79.080 66.820 33.250 1.00 0.00 C ATOM 77 CD2 LEU A 5 77.350 67.040 31.490 1.00 0.00 C ATOM 0 H LEU A 5 78.188 67.092 36.203 1.00 0.00 H new ATOM 0 HA LEU A 5 77.730 69.576 34.683 1.00 0.00 H new ATOM 0 HB2 LEU A 5 76.476 66.897 34.118 1.00 0.00 H new ATOM 0 HB3 LEU A 5 76.027 68.416 33.368 1.00 0.00 H new ATOM 0 HG LEU A 5 78.296 68.655 32.510 1.00 0.00 H new ATOM 0 HD11 LEU A 5 79.812 66.699 32.452 1.00 0.00 H new ATOM 0 HD12 LEU A 5 79.548 67.316 34.100 1.00 0.00 H new ATOM 0 HD13 LEU A 5 78.714 65.841 33.558 1.00 0.00 H new ATOM 0 HD21 LEU A 5 78.146 66.908 30.757 1.00 0.00 H new ATOM 0 HD22 LEU A 5 76.911 66.071 31.728 1.00 0.00 H new ATOM 0 HD23 LEU A 5 76.582 67.695 31.077 1.00 0.00 H new ATOM 89 N VAL A 6 75.330 69.690 35.580 1.00 0.00 N ATOM 90 CA VAL A 6 74.190 70.090 36.330 1.00 0.00 C ATOM 91 C VAL A 6 73.050 70.190 35.330 1.00 0.00 C ATOM 92 O VAL A 6 73.090 70.970 34.380 1.00 0.00 O ATOM 93 CB VAL A 6 74.400 71.430 37.060 1.00 0.00 C ATOM 94 CG1 VAL A 6 73.140 71.750 37.730 1.00 0.00 C ATOM 95 CG2 VAL A 6 75.440 71.440 38.160 1.00 0.00 C ATOM 0 H VAL A 6 75.418 70.168 34.683 1.00 0.00 H new ATOM 0 HA VAL A 6 73.982 69.366 37.118 1.00 0.00 H new ATOM 0 HB VAL A 6 74.736 72.127 36.292 1.00 0.00 H new ATOM 0 HG11 VAL A 6 73.241 72.695 38.263 1.00 0.00 H new ATOM 0 HG12 VAL A 6 72.345 71.834 36.989 1.00 0.00 H new ATOM 0 HG13 VAL A 6 72.893 70.959 38.438 1.00 0.00 H new ATOM 0 HG21 VAL A 6 75.497 72.437 38.598 1.00 0.00 H new ATOM 0 HG22 VAL A 6 75.162 70.720 38.930 1.00 0.00 H new ATOM 0 HG23 VAL A 6 76.411 71.170 37.745 1.00 0.00 H new ATOM 105 N LEU A 7 72.040 69.350 35.540 1.00 0.00 N ATOM 106 CA LEU A 7 70.900 69.200 34.670 1.00 0.00 C ATOM 107 C LEU A 7 69.760 70.060 35.150 1.00 0.00 C ATOM 108 O LEU A 7 69.410 70.110 36.310 1.00 0.00 O ATOM 109 CB LEU A 7 70.470 67.730 34.620 1.00 0.00 C ATOM 110 CG LEU A 7 71.560 66.800 34.080 1.00 0.00 C ATOM 111 CD1 LEU A 7 71.110 65.360 34.120 1.00 0.00 C ATOM 112 CD2 LEU A 7 71.820 67.130 32.640 1.00 0.00 C ATOM 0 H LEU A 7 72.001 68.737 36.354 1.00 0.00 H new ATOM 0 HA LEU A 7 71.178 69.521 33.666 1.00 0.00 H new ATOM 0 HB2 LEU A 7 70.189 67.406 35.622 1.00 0.00 H new ATOM 0 HB3 LEU A 7 69.582 67.639 33.995 1.00 0.00 H new ATOM 0 HG LEU A 7 72.449 66.935 34.697 1.00 0.00 H new ATOM 0 HD11 LEU A 7 71.902 64.720 33.731 1.00 0.00 H new ATOM 0 HD12 LEU A 7 70.887 65.077 35.149 1.00 0.00 H new ATOM 0 HD13 LEU A 7 70.215 65.241 33.509 1.00 0.00 H new ATOM 0 HD21 LEU A 7 72.596 66.471 32.250 1.00 0.00 H new ATOM 0 HD22 LEU A 7 70.904 66.994 32.064 1.00 0.00 H new ATOM 0 HD23 LEU A 7 72.149 68.166 32.558 1.00 0.00 H new ATOM 124 N ALA A 8 69.060 70.640 34.200 1.00 0.00 N ATOM 125 CA ALA A 8 67.810 71.360 34.360 1.00 0.00 C ATOM 126 C ALA A 8 66.650 70.490 34.730 1.00 0.00 C ATOM 127 O ALA A 8 66.560 69.270 34.430 1.00 0.00 O ATOM 128 CB ALA A 8 67.570 72.130 33.090 1.00 0.00 C ATOM 0 H ALA A 8 69.368 70.621 33.228 1.00 0.00 H new ATOM 0 HA ALA A 8 67.898 72.039 35.208 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.636 72.686 33.173 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.393 72.826 32.925 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.507 71.437 32.251 1.00 0.00 H new ATOM 134 N LYS A 9 65.710 71.000 35.470 1.00 0.00 N ATOM 135 CA LYS A 9 64.560 70.190 35.800 1.00 0.00 C ATOM 136 C LYS A 9 63.540 70.140 34.700 1.00 0.00 C ATOM 137 O LYS A 9 62.680 69.290 34.820 1.00 0.00 O ATOM 138 CB LYS A 9 63.940 70.680 37.080 1.00 0.00 C ATOM 139 CG LYS A 9 63.320 72.070 36.910 1.00 0.00 C ATOM 140 CD LYS A 9 62.750 72.540 38.250 1.00 0.00 C ATOM 141 CE LYS A 9 62.150 73.920 38.120 1.00 0.00 C ATOM 142 NZ LYS A 9 61.600 74.400 39.400 1.00 0.00 N ATOM 0 H LYS A 9 65.708 71.946 35.851 1.00 0.00 H new ATOM 0 HA LYS A 9 64.914 69.168 35.932 1.00 0.00 H new ATOM 0 HB2 LYS A 9 63.174 69.977 37.406 1.00 0.00 H new ATOM 0 HB3 LYS A 9 64.698 70.712 37.863 1.00 0.00 H new ATOM 0 HG2 LYS A 9 64.072 72.775 36.555 1.00 0.00 H new ATOM 0 HG3 LYS A 9 62.532 72.039 36.158 1.00 0.00 H new ATOM 0 HD2 LYS A 9 61.990 71.838 38.594 1.00 0.00 H new ATOM 0 HD3 LYS A 9 63.538 72.550 39.003 1.00 0.00 H new ATOM 0 HE2 LYS A 9 62.912 74.616 37.768 1.00 0.00 H new ATOM 0 HE3 LYS A 9 61.361 73.904 37.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 61.197 75.350 39.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 60.856 73.750 39.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 62.358 74.440 40.111 1.00 0.00 H new ATOM 156 N ASN A 10 63.520 71.000 33.680 1.00 0.00 N ATOM 157 CA ASN A 10 62.350 71.010 32.800 1.00 0.00 C ATOM 158 C ASN A 10 62.320 69.620 32.150 1.00 0.00 C ATOM 159 O ASN A 10 61.270 69.000 32.070 1.00 0.00 O ATOM 160 CB ASN A 10 62.420 72.090 31.710 1.00 0.00 C ATOM 161 CG ASN A 10 62.390 73.510 32.250 1.00 0.00 C ATOM 162 OD1 ASN A 10 62.900 74.480 31.540 1.00 0.00 O flip ATOM 163 ND2 ASN A 10 61.940 73.790 33.320 1.00 0.00 N flip ATOM 0 H ASN A 10 64.258 71.666 33.450 1.00 0.00 H new ATOM 0 HA ASN A 10 61.454 71.237 33.378 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.333 71.951 31.132 1.00 0.00 H new ATOM 0 HB3 ASN A 10 61.584 71.955 31.023 1.00 0.00 H new ATOM 0 HD21 ASN A 10 61.532 73.063 33.908 1.00 0.00 H new ATOM 0 HD22 ASN A 10 61.964 74.756 33.646 1.00 0.00 H new ATOM 170 N THR A 11 63.500 69.120 31.780 1.00 0.00 N ATOM 171 CA THR A 11 63.540 67.950 30.930 1.00 0.00 C ATOM 172 C THR A 11 63.060 66.710 31.610 1.00 0.00 C ATOM 173 O THR A 11 62.370 65.910 31.020 1.00 0.00 O ATOM 174 CB THR A 11 64.940 67.700 30.390 1.00 0.00 C ATOM 175 OG1 THR A 11 65.870 67.380 31.410 1.00 0.00 O ATOM 176 CG2 THR A 11 65.380 68.910 29.570 1.00 0.00 C ATOM 0 H THR A 11 64.408 69.498 32.049 1.00 0.00 H new ATOM 0 HA THR A 11 62.858 68.172 30.109 1.00 0.00 H new ATOM 0 HB THR A 11 64.911 66.822 29.745 1.00 0.00 H new ATOM 0 HG1 THR A 11 66.752 67.227 31.012 1.00 0.00 H new ATOM 0 HG21 THR A 11 66.383 68.739 29.179 1.00 0.00 H new ATOM 0 HG22 THR A 11 64.688 69.059 28.741 1.00 0.00 H new ATOM 0 HG23 THR A 11 65.384 69.797 30.204 1.00 0.00 H new ATOM 285 N SER A 18 67.680 72.160 41.200 1.00 0.00 N ATOM 286 CA SER A 18 68.090 72.650 42.510 1.00 0.00 C ATOM 287 C SER A 18 69.580 72.490 42.700 1.00 0.00 C ATOM 288 O SER A 18 70.230 73.400 43.190 1.00 0.00 O ATOM 289 CB SER A 18 67.390 71.970 43.670 1.00 0.00 C ATOM 290 OG SER A 18 67.760 70.620 43.770 1.00 0.00 O ATOM 0 HA SER A 18 67.803 73.701 42.519 1.00 0.00 H new ATOM 0 HB2 SER A 18 67.635 72.486 44.598 1.00 0.00 H new ATOM 0 HB3 SER A 18 66.310 72.044 43.540 1.00 0.00 H new ATOM 0 HG SER A 18 67.294 70.208 44.528 1.00 0.00 H new ATOM 296 N VAL A 19 70.050 71.350 42.200 1.00 0.00 N ATOM 297 CA VAL A 19 71.370 70.790 42.450 1.00 0.00 C ATOM 298 C VAL A 19 72.500 71.700 42.010 1.00 0.00 C ATOM 299 O VAL A 19 73.510 71.710 42.670 1.00 0.00 O ATOM 300 CB VAL A 19 71.470 69.420 41.790 1.00 0.00 C ATOM 301 CG1 VAL A 19 72.860 68.870 41.870 1.00 0.00 C ATOM 302 CG2 VAL A 19 70.510 68.430 42.430 1.00 0.00 C ATOM 0 H VAL A 19 69.491 70.765 41.579 1.00 0.00 H new ATOM 0 HA VAL A 19 71.486 70.686 43.529 1.00 0.00 H new ATOM 0 HB VAL A 19 71.203 69.558 40.742 1.00 0.00 H new ATOM 0 HG11 VAL A 19 72.893 67.892 41.389 1.00 0.00 H new ATOM 0 HG12 VAL A 19 73.549 69.547 41.364 1.00 0.00 H new ATOM 0 HG13 VAL A 19 73.152 68.770 42.915 1.00 0.00 H new ATOM 0 HG21 VAL A 19 70.604 67.462 41.938 1.00 0.00 H new ATOM 0 HG22 VAL A 19 70.749 68.324 43.488 1.00 0.00 H new ATOM 0 HG23 VAL A 19 69.488 68.793 42.323 1.00 0.00 H new ATOM 312 N GLU A 20 72.300 72.550 41.020 1.00 0.00 N ATOM 313 CA GLU A 20 73.320 73.590 40.800 1.00 0.00 C ATOM 314 C GLU A 20 73.570 74.460 42.030 1.00 0.00 C ATOM 315 O GLU A 20 74.700 74.790 42.360 1.00 0.00 O ATOM 316 CB GLU A 20 72.830 74.450 39.680 1.00 0.00 C ATOM 317 CG GLU A 20 73.770 75.590 39.430 1.00 0.00 C ATOM 318 CD GLU A 20 75.120 75.200 38.880 1.00 0.00 C ATOM 319 OE1 GLU A 20 75.090 74.350 37.980 1.00 0.00 O ATOM 320 OE2 GLU A 20 76.120 75.700 39.400 1.00 0.00 O ATOM 0 H GLU A 20 71.501 72.557 40.386 1.00 0.00 H new ATOM 0 HA GLU A 20 74.269 73.104 40.572 1.00 0.00 H new ATOM 0 HB2 GLU A 20 72.729 73.852 38.774 1.00 0.00 H new ATOM 0 HB3 GLU A 20 71.839 74.836 39.919 1.00 0.00 H new ATOM 0 HG2 GLU A 20 73.298 76.283 38.734 1.00 0.00 H new ATOM 0 HG3 GLU A 20 73.918 76.130 40.365 1.00 0.00 H new ATOM 327 N LEU A 21 72.520 74.920 42.710 1.00 0.00 N ATOM 328 CA LEU A 21 72.710 75.840 43.810 1.00 0.00 C ATOM 329 C LEU A 21 73.560 75.200 44.910 1.00 0.00 C ATOM 330 O LEU A 21 74.450 75.850 45.470 1.00 0.00 O ATOM 331 CB LEU A 21 71.360 76.310 44.340 1.00 0.00 C ATOM 332 CG LEU A 21 70.540 77.070 43.290 1.00 0.00 C ATOM 333 CD1 LEU A 21 69.170 77.430 43.840 1.00 0.00 C ATOM 334 CD2 LEU A 21 71.240 78.370 42.940 1.00 0.00 C ATOM 0 H LEU A 21 71.550 74.671 42.517 1.00 0.00 H new ATOM 0 HA LEU A 21 73.251 76.715 43.451 1.00 0.00 H new ATOM 0 HB2 LEU A 21 70.790 75.447 44.684 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.519 76.953 45.205 1.00 0.00 H new ATOM 0 HG LEU A 21 70.439 76.428 42.415 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.603 77.969 43.081 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.637 76.519 44.113 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.286 78.061 44.721 1.00 0.00 H new ATOM 0 HD21 LEU A 21 70.656 78.908 42.194 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.338 78.983 43.836 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.230 78.154 42.539 1.00 0.00 H new ATOM 346 N GLU A 22 73.200 73.970 45.270 1.00 0.00 N ATOM 347 CA GLU A 22 73.900 73.170 46.260 1.00 0.00 C ATOM 348 C GLU A 22 75.300 72.800 45.830 1.00 0.00 C ATOM 349 O GLU A 22 76.220 72.930 46.630 1.00 0.00 O ATOM 350 CB GLU A 22 73.130 71.880 46.520 1.00 0.00 C ATOM 351 CG GLU A 22 71.810 72.180 47.230 1.00 0.00 C ATOM 352 CD GLU A 22 71.000 70.890 47.460 1.00 0.00 C ATOM 353 OE1 GLU A 22 71.460 69.830 47.020 1.00 0.00 O ATOM 354 OE2 GLU A 22 69.870 71.040 47.980 1.00 0.00 O ATOM 0 H GLU A 22 72.392 73.494 44.868 1.00 0.00 H new ATOM 0 HA GLU A 22 73.968 73.781 47.160 1.00 0.00 H new ATOM 0 HB2 GLU A 22 72.935 71.369 45.577 1.00 0.00 H new ATOM 0 HB3 GLU A 22 73.733 71.206 47.129 1.00 0.00 H new ATOM 0 HG2 GLU A 22 72.009 72.664 48.186 1.00 0.00 H new ATOM 0 HG3 GLU A 22 71.224 72.880 46.635 1.00 0.00 H new ATOM 361 N ASP A 23 75.480 72.490 44.560 1.00 0.00 N ATOM 362 CA ASP A 23 76.780 72.180 44.030 1.00 0.00 C ATOM 363 C ASP A 23 77.660 73.360 44.070 1.00 0.00 C ATOM 364 O ASP A 23 78.780 73.190 44.500 1.00 0.00 O ATOM 365 CB ASP A 23 76.690 71.710 42.600 1.00 0.00 C ATOM 366 CG ASP A 23 76.140 70.310 42.620 1.00 0.00 C ATOM 367 OD1 ASP A 23 76.070 69.660 43.680 1.00 0.00 O ATOM 368 OD2 ASP A 23 75.850 69.820 41.510 1.00 0.00 O ATOM 0 H ASP A 23 74.726 72.448 43.874 1.00 0.00 H new ATOM 0 HA ASP A 23 77.193 71.386 44.652 1.00 0.00 H new ATOM 0 HB2 ASP A 23 76.043 72.368 42.020 1.00 0.00 H new ATOM 0 HB3 ASP A 23 77.672 71.730 42.127 1.00 0.00 H new ATOM 373 N LEU A 24 77.150 74.560 43.790 1.00 0.00 N ATOM 374 CA LEU A 24 78.010 75.720 43.850 1.00 0.00 C ATOM 375 C LEU A 24 78.690 75.770 45.220 1.00 0.00 C ATOM 376 O LEU A 24 79.910 75.800 45.330 1.00 0.00 O ATOM 377 CB LEU A 24 77.200 76.980 43.590 1.00 0.00 C ATOM 378 CG LEU A 24 76.770 77.170 42.140 1.00 0.00 C ATOM 379 CD1 LEU A 24 75.590 78.130 42.070 1.00 0.00 C ATOM 380 CD2 LEU A 24 77.920 77.750 41.330 1.00 0.00 C ATOM 0 H LEU A 24 76.181 74.742 43.530 1.00 0.00 H new ATOM 0 HA LEU A 24 78.780 75.654 43.081 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.310 76.961 44.219 1.00 0.00 H new ATOM 0 HB3 LEU A 24 77.789 77.844 43.897 1.00 0.00 H new ATOM 0 HG LEU A 24 76.483 76.201 41.732 1.00 0.00 H new ATOM 0 HD11 LEU A 24 75.288 78.261 41.031 1.00 0.00 H new ATOM 0 HD12 LEU A 24 74.756 77.723 42.641 1.00 0.00 H new ATOM 0 HD13 LEU A 24 75.880 79.094 42.488 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.605 77.883 40.295 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.210 78.714 41.748 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.770 77.069 41.366 1.00 0.00 H new ATOM 392 N TYR A 25 77.860 75.770 46.270 1.00 0.00 N ATOM 393 CA TYR A 25 78.370 75.930 47.620 1.00 0.00 C ATOM 394 C TYR A 25 79.280 74.750 47.960 1.00 0.00 C ATOM 395 O TYR A 25 80.390 74.970 48.490 1.00 0.00 O ATOM 396 CB TYR A 25 77.220 76.020 48.620 1.00 0.00 C ATOM 397 CG TYR A 25 77.750 76.140 50.020 1.00 0.00 C ATOM 398 CD1 TYR A 25 78.110 77.410 50.540 1.00 0.00 C ATOM 399 CD2 TYR A 25 77.970 74.980 50.770 1.00 0.00 C ATOM 400 CE1 TYR A 25 78.590 77.520 51.840 1.00 0.00 C ATOM 401 CE2 TYR A 25 78.410 75.080 52.090 1.00 0.00 C ATOM 402 CZ TYR A 25 78.710 76.340 52.610 1.00 0.00 C ATOM 403 OH TYR A 25 79.270 76.440 53.830 1.00 0.00 O ATOM 0 H TYR A 25 76.848 75.662 46.205 1.00 0.00 H new ATOM 0 HA TYR A 25 78.942 76.856 47.679 1.00 0.00 H new ATOM 0 HB2 TYR A 25 76.594 76.881 48.387 1.00 0.00 H new ATOM 0 HB3 TYR A 25 76.589 75.135 48.538 1.00 0.00 H new ATOM 0 HD1 TYR A 25 78.011 78.292 49.925 1.00 0.00 H new ATOM 0 HD2 TYR A 25 77.800 74.009 50.328 1.00 0.00 H new ATOM 0 HE1 TYR A 25 78.864 78.481 52.251 1.00 0.00 H new ATOM 0 HE2 TYR A 25 78.517 74.196 52.701 1.00 0.00 H new ATOM 0 HH TYR A 25 79.291 75.557 54.254 1.00 0.00 H new ATOM 413 N HIS A 26 78.820 73.530 47.660 1.00 0.00 N ATOM 414 CA HIS A 26 79.480 72.350 48.130 1.00 0.00 C ATOM 415 C HIS A 26 80.760 72.010 47.370 1.00 0.00 C ATOM 416 O HIS A 26 81.780 71.680 47.950 1.00 0.00 O ATOM 417 CB HIS A 26 78.580 71.100 48.190 1.00 0.00 C ATOM 418 CG HIS A 26 77.490 71.200 49.230 1.00 0.00 C ATOM 419 ND1 HIS A 26 76.500 72.170 49.230 1.00 0.00 N ATOM 420 CD2 HIS A 26 77.310 70.430 50.340 1.00 0.00 C ATOM 421 CE1 HIS A 26 75.720 71.960 50.270 1.00 0.00 C ATOM 422 NE2 HIS A 26 76.220 70.960 51.000 1.00 0.00 N ATOM 0 H HIS A 26 77.991 73.355 47.092 1.00 0.00 H new ATOM 0 HA HIS A 26 79.748 72.621 49.151 1.00 0.00 H new ATOM 0 HB2 HIS A 26 78.126 70.940 47.212 1.00 0.00 H new ATOM 0 HB3 HIS A 26 79.196 70.226 48.402 1.00 0.00 H new ATOM 0 HD1 HIS A 26 76.394 72.917 48.544 1.00 0.00 H new ATOM 0 HD2 HIS A 26 77.901 69.578 50.642 1.00 0.00 H new ATOM 0 HE1 HIS A 26 74.818 72.510 50.497 1.00 0.00 H new ATOM 430 N GLU A 27 80.700 72.190 46.080 1.00 0.00 N ATOM 431 CA GLU A 27 81.810 71.980 45.170 1.00 0.00 C ATOM 432 C GLU A 27 82.920 72.940 45.520 1.00 0.00 C ATOM 433 O GLU A 27 84.060 72.550 45.590 1.00 0.00 O ATOM 434 CB GLU A 27 81.360 72.230 43.730 1.00 0.00 C ATOM 435 CG GLU A 27 82.500 72.080 42.750 1.00 0.00 C ATOM 436 CD GLU A 27 82.040 72.260 41.300 1.00 0.00 C ATOM 437 OE1 GLU A 27 80.830 72.380 41.080 1.00 0.00 O ATOM 438 OE2 GLU A 27 82.890 72.070 40.400 1.00 0.00 O ATOM 0 H GLU A 27 79.850 72.498 45.609 1.00 0.00 H new ATOM 0 HA GLU A 27 82.162 70.952 45.260 1.00 0.00 H new ATOM 0 HB2 GLU A 27 80.565 71.531 43.472 1.00 0.00 H new ATOM 0 HB3 GLU A 27 80.941 73.233 43.649 1.00 0.00 H new ATOM 0 HG2 GLU A 27 83.273 72.814 42.978 1.00 0.00 H new ATOM 0 HG3 GLU A 27 82.951 71.095 42.867 1.00 0.00 H new ATOM 445 N PHE A 28 82.560 74.180 45.790 1.00 0.00 N ATOM 446 CA PHE A 28 83.480 75.230 46.150 1.00 0.00 C ATOM 447 C PHE A 28 84.260 74.950 47.410 1.00 0.00 C ATOM 448 O PHE A 28 85.460 75.220 47.500 1.00 0.00 O ATOM 449 CB PHE A 28 82.680 76.520 46.280 1.00 0.00 C ATOM 450 CG PHE A 28 83.450 77.610 46.930 1.00 0.00 C ATOM 451 CD1 PHE A 28 83.490 77.750 48.330 1.00 0.00 C ATOM 452 CD2 PHE A 28 84.180 78.480 46.130 1.00 0.00 C ATOM 453 CE1 PHE A 28 84.240 78.760 48.940 1.00 0.00 C ATOM 454 CE2 PHE A 28 84.920 79.460 46.780 1.00 0.00 C ATOM 455 CZ PHE A 28 84.970 79.630 48.160 1.00 0.00 C ATOM 0 H PHE A 28 81.588 74.489 45.763 1.00 0.00 H new ATOM 0 HA PHE A 28 84.234 75.308 45.367 1.00 0.00 H new ATOM 0 HB2 PHE A 28 82.362 76.846 45.290 1.00 0.00 H new ATOM 0 HB3 PHE A 28 81.776 76.325 46.857 1.00 0.00 H new ATOM 0 HD1 PHE A 28 82.929 77.063 48.946 1.00 0.00 H new ATOM 0 HD2 PHE A 28 84.173 78.398 45.053 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.247 78.858 50.016 1.00 0.00 H new ATOM 0 HE2 PHE A 28 85.498 80.139 46.170 1.00 0.00 H new ATOM 0 HZ PHE A 28 85.561 80.417 48.605 1.00 0.00 H new ATOM 465 N SER A 29 83.520 74.570 48.450 1.00 0.00 N ATOM 466 CA SER A 29 84.170 74.230 49.700 1.00 0.00 C ATOM 467 C SER A 29 85.030 72.990 49.560 1.00 0.00 C ATOM 468 O SER A 29 86.110 73.010 50.150 1.00 0.00 O ATOM 469 CB SER A 29 83.130 74.020 50.740 1.00 0.00 C ATOM 470 OG SER A 29 82.610 72.840 50.350 1.00 0.00 O ATOM 0 H SER A 29 82.503 74.493 48.449 1.00 0.00 H new ATOM 0 HA SER A 29 84.827 75.050 49.988 1.00 0.00 H new ATOM 0 HB2 SER A 29 83.554 73.972 51.743 1.00 0.00 H new ATOM 0 HB3 SER A 29 82.386 74.817 50.746 1.00 0.00 H new ATOM 0 HG SER A 29 82.327 72.901 49.414 1.00 0.00 H new ATOM 476 N GLU A 30 84.580 71.970 48.840 1.00 0.00 N ATOM 477 CA GLU A 30 85.280 70.720 48.780 1.00 0.00 C ATOM 478 C GLU A 30 86.460 70.840 47.830 1.00 0.00 C ATOM 479 O GLU A 30 87.610 70.560 48.200 1.00 0.00 O ATOM 480 CB GLU A 30 84.340 69.630 48.250 1.00 0.00 C ATOM 481 CG GLU A 30 83.280 69.280 49.260 1.00 0.00 C ATOM 482 CD GLU A 30 82.300 68.180 48.780 1.00 0.00 C ATOM 483 OE1 GLU A 30 82.500 67.610 47.690 1.00 0.00 O ATOM 484 OE2 GLU A 30 81.380 67.790 49.540 1.00 0.00 O ATOM 0 H GLU A 30 83.723 71.998 48.288 1.00 0.00 H new ATOM 0 HA GLU A 30 85.629 70.462 49.780 1.00 0.00 H new ATOM 0 HB2 GLU A 30 83.868 69.971 47.328 1.00 0.00 H new ATOM 0 HB3 GLU A 30 84.917 68.739 48.002 1.00 0.00 H new ATOM 0 HG2 GLU A 30 83.762 68.948 50.179 1.00 0.00 H new ATOM 0 HG3 GLU A 30 82.713 70.178 49.504 1.00 0.00 H new ATOM 491 N ASP A 31 86.200 71.310 46.630 1.00 0.00 N ATOM 492 CA ASP A 31 87.000 71.110 45.440 1.00 0.00 C ATOM 493 C ASP A 31 87.260 72.470 44.820 1.00 0.00 C ATOM 494 O ASP A 31 86.500 73.410 45.030 1.00 0.00 O ATOM 495 CB ASP A 31 86.310 70.200 44.410 1.00 0.00 C ATOM 496 CG ASP A 31 86.120 68.800 44.970 1.00 0.00 C ATOM 497 OD1 ASP A 31 86.880 68.510 45.940 1.00 0.00 O ATOM 498 OD2 ASP A 31 85.350 68.000 44.440 1.00 0.00 O ATOM 0 H ASP A 31 85.373 71.878 46.447 1.00 0.00 H new ATOM 0 HA ASP A 31 87.928 70.615 45.727 1.00 0.00 H new ATOM 0 HB2 ASP A 31 85.343 70.621 44.136 1.00 0.00 H new ATOM 0 HB3 ASP A 31 86.908 70.155 43.500 1.00 0.00 H new ATOM 503 N LYS A 32 88.310 72.620 44.010 1.00 0.00 N ATOM 504 CA LYS A 32 88.360 73.780 43.110 1.00 0.00 C ATOM 505 C LYS A 32 88.260 73.450 41.630 1.00 0.00 C ATOM 506 O LYS A 32 89.180 72.830 41.080 1.00 0.00 O ATOM 507 CB LYS A 32 89.560 74.630 43.430 1.00 0.00 C ATOM 508 CG LYS A 32 89.580 75.170 44.850 1.00 0.00 C ATOM 509 CD LYS A 32 88.390 76.100 45.090 1.00 0.00 C ATOM 510 CE LYS A 32 88.370 76.610 46.520 1.00 0.00 C ATOM 511 NZ LYS A 32 87.210 77.490 46.730 1.00 0.00 N ATOM 0 H LYS A 32 89.106 71.985 43.955 1.00 0.00 H new ATOM 0 HA LYS A 32 87.454 74.354 43.303 1.00 0.00 H new ATOM 0 HB2 LYS A 32 90.463 74.042 43.264 1.00 0.00 H new ATOM 0 HB3 LYS A 32 89.594 75.468 42.734 1.00 0.00 H new ATOM 0 HG2 LYS A 32 89.551 74.343 45.560 1.00 0.00 H new ATOM 0 HG3 LYS A 32 90.511 75.709 45.027 1.00 0.00 H new ATOM 0 HD2 LYS A 32 88.440 76.943 44.401 1.00 0.00 H new ATOM 0 HD3 LYS A 32 87.462 75.569 44.878 1.00 0.00 H new ATOM 0 HE2 LYS A 32 88.328 75.770 47.213 1.00 0.00 H new ATOM 0 HE3 LYS A 32 89.291 77.153 46.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 87.434 78.191 47.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 86.981 77.981 45.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 86.393 76.922 47.032 1.00 0.00 H new ATOM 525 N ARG A 33 87.080 73.690 41.040 1.00 0.00 N ATOM 526 CA ARG A 33 86.480 72.780 40.050 1.00 0.00 C ATOM 527 C ARG A 33 85.410 73.440 39.160 1.00 0.00 C ATOM 528 O ARG A 33 84.980 74.540 39.450 1.00 0.00 O ATOM 529 CB ARG A 33 85.860 71.630 40.830 1.00 0.00 C ATOM 530 CG ARG A 33 85.440 70.490 39.890 1.00 0.00 C ATOM 531 CD ARG A 33 84.990 69.280 40.680 1.00 0.00 C ATOM 532 NE ARG A 33 83.680 69.500 41.270 1.00 0.00 N ATOM 533 CZ ARG A 33 83.060 68.630 42.030 1.00 0.00 C ATOM 534 NH1 ARG A 33 83.580 67.460 42.250 1.00 0.00 N ATOM 535 NH2 ARG A 33 81.870 68.870 42.460 1.00 0.00 N ATOM 0 H ARG A 33 86.515 74.517 41.234 1.00 0.00 H new ATOM 0 HA ARG A 33 87.263 72.452 39.366 1.00 0.00 H new ATOM 0 HB2 ARG A 33 86.575 71.257 41.564 1.00 0.00 H new ATOM 0 HB3 ARG A 33 84.992 71.988 41.384 1.00 0.00 H new ATOM 0 HG2 ARG A 33 84.632 70.827 39.241 1.00 0.00 H new ATOM 0 HG3 ARG A 33 86.275 70.218 39.245 1.00 0.00 H new ATOM 0 HD2 ARG A 33 84.957 68.407 40.028 1.00 0.00 H new ATOM 0 HD3 ARG A 33 85.715 69.064 41.465 1.00 0.00 H new ATOM 0 HE ARG A 33 83.214 70.387 41.081 1.00 0.00 H new ATOM 0 HH11 ARG A 33 84.476 67.213 41.830 1.00 0.00 H new ATOM 0 HH12 ARG A 33 83.092 66.788 42.842 1.00 0.00 H new ATOM 0 HH21 ARG A 33 81.403 69.742 42.210 1.00 0.00 H new ATOM 0 HH22 ARG A 33 81.394 68.188 43.051 1.00 0.00 H new ATOM 549 N SER A 34 85.120 72.860 38.000 1.00 0.00 N ATOM 550 CA SER A 34 84.310 73.530 37.010 1.00 0.00 C ATOM 551 C SER A 34 83.140 72.650 36.480 1.00 0.00 C ATOM 552 O SER A 34 83.290 71.410 36.480 1.00 0.00 O ATOM 553 CB SER A 34 85.260 73.930 35.910 1.00 0.00 C ATOM 554 OG SER A 34 85.820 72.820 35.300 1.00 0.00 O ATOM 0 H SER A 34 85.437 71.929 37.730 1.00 0.00 H new ATOM 0 HA SER A 34 83.812 74.396 37.446 1.00 0.00 H new ATOM 0 HB2 SER A 34 84.730 74.527 35.168 1.00 0.00 H new ATOM 0 HB3 SER A 34 86.050 74.560 36.320 1.00 0.00 H new ATOM 0 HG SER A 34 86.430 73.110 34.590 1.00 0.00 H new ATOM 560 N ILE A 35 82.040 73.210 35.970 1.00 0.00 N ATOM 561 CA ILE A 35 80.880 72.450 35.580 1.00 0.00 C ATOM 562 C ILE A 35 80.490 72.770 34.120 1.00 0.00 C ATOM 563 O ILE A 35 80.730 73.890 33.640 1.00 0.00 O ATOM 564 CB ILE A 35 79.800 72.670 36.670 1.00 0.00 C ATOM 565 CG1 ILE A 35 79.250 74.080 36.790 1.00 0.00 C ATOM 566 CG2 ILE A 35 80.200 72.280 38.070 1.00 0.00 C ATOM 567 CD1 ILE A 35 77.900 74.200 37.450 1.00 0.00 C ATOM 0 H ILE A 35 81.942 74.214 35.820 1.00 0.00 H new ATOM 0 HA ILE A 35 81.057 71.375 35.545 1.00 0.00 H new ATOM 0 HB ILE A 35 79.036 71.997 36.282 1.00 0.00 H new ATOM 0 HG12 ILE A 35 79.964 74.682 37.352 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.186 74.512 35.791 1.00 0.00 H new ATOM 0 HG21 ILE A 35 79.373 72.475 38.752 1.00 0.00 H new ATOM 0 HG22 ILE A 35 80.449 71.219 38.095 1.00 0.00 H new ATOM 0 HG23 ILE A 35 81.068 72.864 38.376 1.00 0.00 H new ATOM 0 HD11 ILE A 35 77.603 75.248 37.483 1.00 0.00 H new ATOM 0 HD12 ILE A 35 77.164 73.633 36.880 1.00 0.00 H new ATOM 0 HD13 ILE A 35 77.955 73.806 38.465 1.00 0.00 H new ATOM 579 N PHE A 36 79.770 71.840 33.470 1.00 0.00 N ATOM 580 CA PHE A 36 78.740 72.090 32.380 1.00 0.00 C ATOM 581 C PHE A 36 77.200 72.020 32.700 1.00 0.00 C ATOM 582 O PHE A 36 76.710 71.120 33.360 1.00 0.00 O ATOM 583 CB PHE A 36 78.980 71.070 31.350 1.00 0.00 C ATOM 584 CG PHE A 36 80.250 71.300 30.650 1.00 0.00 C ATOM 585 CD1 PHE A 36 81.470 70.970 31.260 1.00 0.00 C ATOM 586 CD2 PHE A 36 80.210 71.800 29.360 1.00 0.00 C ATOM 587 CE1 PHE A 36 82.660 71.210 30.580 1.00 0.00 C ATOM 588 CE2 PHE A 36 81.400 72.060 28.700 1.00 0.00 C ATOM 589 CZ PHE A 36 82.630 71.800 29.320 1.00 0.00 C ATOM 0 H PHE A 36 79.874 70.847 33.678 1.00 0.00 H new ATOM 0 HA PHE A 36 78.899 73.138 32.126 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.991 70.082 31.810 1.00 0.00 H new ATOM 0 HB3 PHE A 36 78.161 71.078 30.631 1.00 0.00 H new ATOM 0 HD1 PHE A 36 81.485 70.534 32.248 1.00 0.00 H new ATOM 0 HD2 PHE A 36 79.263 71.985 28.874 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.604 70.939 31.029 1.00 0.00 H new ATOM 0 HE2 PHE A 36 81.380 72.466 27.700 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.553 72.057 28.821 1.00 0.00 H new ATOM 599 N TYR A 37 76.470 73.110 32.420 1.00 0.00 N ATOM 600 CA TYR A 37 75.140 73.440 32.980 1.00 0.00 C ATOM 601 C TYR A 37 74.210 73.260 31.820 1.00 0.00 C ATOM 602 O TYR A 37 74.140 74.110 30.920 1.00 0.00 O ATOM 603 CB TYR A 37 74.980 74.820 33.580 1.00 0.00 C ATOM 604 CG TYR A 37 73.620 75.140 34.140 1.00 0.00 C ATOM 605 CD1 TYR A 37 72.580 75.660 33.350 1.00 0.00 C ATOM 606 CD2 TYR A 37 73.390 74.860 35.480 1.00 0.00 C ATOM 607 CE1 TYR A 37 71.330 75.910 33.920 1.00 0.00 C ATOM 608 CE2 TYR A 37 72.140 75.090 36.050 1.00 0.00 C ATOM 609 CZ TYR A 37 71.100 75.610 35.280 1.00 0.00 C ATOM 610 OH TYR A 37 69.880 75.850 35.840 1.00 0.00 O ATOM 0 H TYR A 37 76.801 73.821 31.768 1.00 0.00 H new ATOM 0 HA TYR A 37 74.945 72.795 33.837 1.00 0.00 H new ATOM 0 HB2 TYR A 37 75.716 74.937 34.376 1.00 0.00 H new ATOM 0 HB3 TYR A 37 75.219 75.558 32.814 1.00 0.00 H new ATOM 0 HD1 TYR A 37 72.748 75.866 32.303 1.00 0.00 H new ATOM 0 HD2 TYR A 37 74.189 74.460 36.087 1.00 0.00 H new ATOM 0 HE1 TYR A 37 70.538 76.333 33.320 1.00 0.00 H new ATOM 0 HE2 TYR A 37 71.975 74.865 37.093 1.00 0.00 H new ATOM 0 HH TYR A 37 69.895 75.584 36.783 1.00 0.00 H new ATOM 620 N PHE A 38 73.610 72.080 31.850 1.00 0.00 N ATOM 621 CA PHE A 38 72.830 71.390 30.820 1.00 0.00 C ATOM 622 C PHE A 38 71.380 71.700 31.090 1.00 0.00 C ATOM 623 O PHE A 38 70.690 71.070 31.920 1.00 0.00 O ATOM 624 CB PHE A 38 73.060 69.900 30.790 1.00 0.00 C ATOM 625 CG PHE A 38 72.200 69.130 29.810 1.00 0.00 C ATOM 626 CD1 PHE A 38 70.870 68.770 30.090 1.00 0.00 C ATOM 627 CD2 PHE A 38 72.710 68.800 28.550 1.00 0.00 C ATOM 628 CE1 PHE A 38 70.060 68.120 29.150 1.00 0.00 C ATOM 629 CE2 PHE A 38 71.890 68.170 27.600 1.00 0.00 C ATOM 630 CZ PHE A 38 70.580 67.810 27.900 1.00 0.00 C ATOM 0 H PHE A 38 73.661 71.512 32.695 1.00 0.00 H new ATOM 0 HA PHE A 38 73.145 71.744 29.839 1.00 0.00 H new ATOM 0 HB2 PHE A 38 74.107 69.716 30.551 1.00 0.00 H new ATOM 0 HB3 PHE A 38 72.887 69.502 31.790 1.00 0.00 H new ATOM 0 HD1 PHE A 38 70.459 69.002 31.062 1.00 0.00 H new ATOM 0 HD2 PHE A 38 73.737 69.030 28.307 1.00 0.00 H new ATOM 0 HE1 PHE A 38 69.040 67.862 29.395 1.00 0.00 H new ATOM 0 HE2 PHE A 38 72.284 67.961 26.617 1.00 0.00 H new ATOM 0 HZ PHE A 38 69.974 67.295 27.169 1.00 0.00 H new ATOM 640 N ALA A 39 70.900 72.730 30.410 1.00 0.00 N ATOM 641 CA ALA A 39 69.590 73.330 30.590 1.00 0.00 C ATOM 642 C ALA A 39 68.970 73.820 29.320 1.00 0.00 C ATOM 643 O ALA A 39 69.720 74.190 28.440 1.00 0.00 O ATOM 644 CB ALA A 39 69.630 74.430 31.630 1.00 0.00 C ATOM 0 H ALA A 39 71.443 73.192 29.681 1.00 0.00 H new ATOM 0 HA ALA A 39 68.946 72.527 30.949 1.00 0.00 H new ATOM 0 HB1 ALA A 39 68.635 74.860 31.743 1.00 0.00 H new ATOM 0 HB2 ALA A 39 69.957 74.017 32.584 1.00 0.00 H new ATOM 0 HB3 ALA A 39 70.327 75.206 31.313 1.00 0.00 H new ATOM 650 N PRO A 40 67.620 73.680 29.160 1.00 0.00 N ATOM 651 CA PRO A 40 67.230 72.890 28.000 1.00 0.00 C ATOM 652 C PRO A 40 67.570 73.660 26.730 1.00 0.00 C ATOM 653 O PRO A 40 67.480 74.890 26.730 1.00 0.00 O ATOM 654 CB PRO A 40 65.730 72.650 28.140 1.00 0.00 C ATOM 655 CG PRO A 40 65.240 73.910 28.850 1.00 0.00 C ATOM 656 CD PRO A 40 66.360 74.180 29.870 1.00 0.00 C ATOM 0 HA PRO A 40 67.757 71.938 27.942 1.00 0.00 H new ATOM 0 HB2 PRO A 40 65.250 72.522 27.170 1.00 0.00 H new ATOM 0 HB3 PRO A 40 65.518 71.752 28.721 1.00 0.00 H new ATOM 0 HG2 PRO A 40 65.114 74.742 28.157 1.00 0.00 H new ATOM 0 HG3 PRO A 40 64.278 73.752 29.337 1.00 0.00 H new ATOM 0 HD2 PRO A 40 66.432 75.239 30.116 1.00 0.00 H new ATOM 0 HD3 PRO A 40 66.188 73.647 30.805 1.00 0.00 H new ATOM 664 N THR A 41 67.730 72.900 25.660 1.00 0.00 N ATOM 665 CA THR A 41 67.690 73.360 24.290 1.00 0.00 C ATOM 666 C THR A 41 66.360 73.840 23.820 1.00 0.00 C ATOM 667 O THR A 41 66.300 74.790 23.050 1.00 0.00 O ATOM 668 CB THR A 41 68.080 72.220 23.380 1.00 0.00 C ATOM 669 OG1 THR A 41 69.370 71.870 23.700 1.00 0.00 O ATOM 670 CG2 THR A 41 68.010 72.590 21.910 1.00 0.00 C ATOM 0 H THR A 41 67.899 71.897 25.731 1.00 0.00 H new ATOM 0 HA THR A 41 68.375 74.208 24.257 1.00 0.00 H new ATOM 0 HB THR A 41 67.379 71.398 23.527 1.00 0.00 H new ATOM 0 HG1 THR A 41 69.955 72.038 22.932 1.00 0.00 H new ATOM 0 HG21 THR A 41 68.301 71.732 21.305 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.991 72.884 21.657 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.687 73.421 21.711 1.00 0.00 H new ATOM 678 N ASN A 42 65.320 73.160 24.280 1.00 0.00 N ATOM 679 CA ASN A 42 63.930 73.310 23.900 1.00 0.00 C ATOM 680 C ASN A 42 63.250 74.520 24.470 1.00 0.00 C ATOM 681 O ASN A 42 62.400 75.080 23.780 1.00 0.00 O ATOM 682 CB ASN A 42 63.270 72.060 24.460 1.00 0.00 C ATOM 683 CG ASN A 42 63.830 70.840 23.740 1.00 0.00 C ATOM 684 OD1 ASN A 42 64.450 71.010 22.700 1.00 0.00 O ATOM 685 ND2 ASN A 42 63.670 69.640 24.270 1.00 0.00 N ATOM 0 H ASN A 42 65.440 72.432 24.984 1.00 0.00 H new ATOM 0 HA ASN A 42 63.853 73.437 22.820 1.00 0.00 H new ATOM 0 HB2 ASN A 42 63.456 71.984 25.531 1.00 0.00 H new ATOM 0 HB3 ASN A 42 62.189 72.113 24.327 1.00 0.00 H new ATOM 0 HD21 ASN A 42 64.069 68.822 23.810 1.00 0.00 H new ATOM 0 HD22 ASN A 42 63.147 69.532 25.139 1.00 0.00 H new ATOM 692 N ALA A 43 63.490 74.840 25.740 1.00 0.00 N ATOM 693 CA ALA A 43 62.730 75.910 26.340 1.00 0.00 C ATOM 694 C ALA A 43 63.550 77.160 26.560 1.00 0.00 C ATOM 695 O ALA A 43 63.040 78.230 26.640 1.00 0.00 O ATOM 696 CB ALA A 43 62.130 75.410 27.640 1.00 0.00 C ATOM 0 H ALA A 43 64.177 74.390 26.344 1.00 0.00 H new ATOM 0 HA ALA A 43 61.937 76.197 25.649 1.00 0.00 H new ATOM 0 HB1 ALA A 43 61.552 76.209 28.105 1.00 0.00 H new ATOM 0 HB2 ALA A 43 61.477 74.561 27.437 1.00 0.00 H new ATOM 0 HB3 ALA A 43 62.929 75.100 28.314 1.00 0.00 H new ATOM 702 N HIS A 44 64.850 76.980 26.720 1.00 0.00 N ATOM 703 CA HIS A 44 65.860 77.970 27.140 1.00 0.00 C ATOM 704 C HIS A 44 65.600 78.520 28.530 1.00 0.00 C ATOM 705 O HIS A 44 66.000 79.640 28.850 1.00 0.00 O ATOM 706 CB HIS A 44 65.960 79.100 26.100 1.00 0.00 C ATOM 707 CG HIS A 44 67.270 79.850 26.170 1.00 0.00 C ATOM 708 ND1 HIS A 44 68.410 79.430 25.510 1.00 0.00 N ATOM 709 CD2 HIS A 44 67.540 81.010 26.830 1.00 0.00 C ATOM 710 CE1 HIS A 44 69.370 80.320 25.810 1.00 0.00 C ATOM 711 NE2 HIS A 44 68.880 81.270 26.610 1.00 0.00 N ATOM 0 H HIS A 44 65.273 76.068 26.549 1.00 0.00 H new ATOM 0 HA HIS A 44 66.819 77.454 27.194 1.00 0.00 H new ATOM 0 HB2 HIS A 44 65.841 78.679 25.101 1.00 0.00 H new ATOM 0 HB3 HIS A 44 65.138 79.800 26.251 1.00 0.00 H new ATOM 0 HD2 HIS A 44 66.848 81.606 27.408 1.00 0.00 H new ATOM 0 HE1 HIS A 44 70.389 80.274 25.456 1.00 0.00 H new ATOM 0 HE2 HIS A 44 69.406 82.055 26.994 1.00 0.00 H new ATOM 719 N LYS A 45 64.850 77.790 29.370 1.00 0.00 N ATOM 720 CA LYS A 45 64.160 78.430 30.480 1.00 0.00 C ATOM 721 C LYS A 45 64.920 78.310 31.730 1.00 0.00 C ATOM 722 O LYS A 45 65.150 79.310 32.410 1.00 0.00 O ATOM 723 CB LYS A 45 62.700 77.990 30.650 1.00 0.00 C ATOM 724 CG LYS A 45 62.000 78.810 31.740 1.00 0.00 C ATOM 725 CD LYS A 45 60.590 78.330 31.950 1.00 0.00 C ATOM 726 CE LYS A 45 59.850 79.070 33.050 1.00 0.00 C ATOM 727 NZ LYS A 45 58.500 78.520 33.230 1.00 0.00 N ATOM 0 H LYS A 45 64.713 76.782 29.299 1.00 0.00 H new ATOM 0 HA LYS A 45 64.107 79.487 30.219 1.00 0.00 H new ATOM 0 HB2 LYS A 45 62.169 78.107 29.705 1.00 0.00 H new ATOM 0 HB3 LYS A 45 62.663 76.931 30.907 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.558 78.733 32.673 1.00 0.00 H new ATOM 0 HG3 LYS A 45 61.992 79.863 31.460 1.00 0.00 H new ATOM 0 HD2 LYS A 45 60.037 78.437 31.017 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.610 77.267 32.189 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.406 78.994 33.984 1.00 0.00 H new ATOM 0 HE3 LYS A 45 59.786 80.130 32.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 58.011 79.040 33.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 57.965 78.615 32.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.566 77.515 33.488 1.00 0.00 H new ATOM 741 N ASP A 46 65.260 77.070 32.020 1.00 0.00 N ATOM 742 CA ASP A 46 66.180 76.830 33.100 1.00 0.00 C ATOM 743 C ASP A 46 67.490 77.540 32.810 1.00 0.00 C ATOM 744 O ASP A 46 68.040 78.140 33.730 1.00 0.00 O ATOM 745 CB ASP A 46 66.420 75.350 33.330 1.00 0.00 C ATOM 746 CG ASP A 46 65.200 74.640 33.870 1.00 0.00 C ATOM 747 OD1 ASP A 46 64.400 75.390 34.510 1.00 0.00 O ATOM 748 OD2 ASP A 46 65.040 73.420 33.770 1.00 0.00 O ATOM 0 H ASP A 46 64.922 76.238 31.536 1.00 0.00 H new ATOM 0 HA ASP A 46 65.738 77.225 34.015 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.721 74.884 32.391 1.00 0.00 H new ATOM 0 HB3 ASP A 46 67.248 75.224 34.028 1.00 0.00 H new ATOM 753 N MET A 47 67.930 77.610 31.550 1.00 0.00 N ATOM 754 CA MET A 47 69.210 78.260 31.290 1.00 0.00 C ATOM 755 C MET A 47 69.230 79.770 31.520 1.00 0.00 C ATOM 756 O MET A 47 70.190 80.320 32.050 1.00 0.00 O ATOM 757 CB MET A 47 69.600 77.950 29.860 1.00 0.00 C ATOM 758 CG MET A 47 70.870 78.690 29.450 1.00 0.00 C ATOM 759 SD MET A 47 71.330 78.310 27.750 1.00 0.00 S ATOM 760 CE MET A 47 72.040 76.670 28.020 1.00 0.00 C ATOM 0 H MET A 47 67.444 77.243 30.732 1.00 0.00 H new ATOM 0 HA MET A 47 69.923 77.863 32.013 1.00 0.00 H new ATOM 0 HB2 MET A 47 69.752 76.876 29.748 1.00 0.00 H new ATOM 0 HB3 MET A 47 68.785 78.228 29.192 1.00 0.00 H new ATOM 0 HG2 MET A 47 70.718 79.764 29.556 1.00 0.00 H new ATOM 0 HG3 MET A 47 71.685 78.416 30.119 1.00 0.00 H new ATOM 0 HE1 MET A 47 72.971 76.580 27.460 1.00 0.00 H new ATOM 0 HE2 MET A 47 72.241 76.531 29.082 1.00 0.00 H new ATOM 0 HE3 MET A 47 71.337 75.909 27.681 1.00 0.00 H new ATOM 770 N LEU A 48 68.150 80.430 31.100 1.00 0.00 N ATOM 771 CA LEU A 48 67.990 81.870 31.260 1.00 0.00 C ATOM 772 C LEU A 48 68.030 82.280 32.730 1.00 0.00 C ATOM 773 O LEU A 48 68.670 83.260 33.100 1.00 0.00 O ATOM 774 CB LEU A 48 66.710 82.340 30.550 1.00 0.00 C ATOM 775 CG LEU A 48 66.540 83.860 30.680 1.00 0.00 C ATOM 776 CD1 LEU A 48 67.600 84.620 29.910 1.00 0.00 C ATOM 777 CD2 LEU A 48 65.220 84.260 30.130 1.00 0.00 C ATOM 0 H LEU A 48 67.361 79.977 30.638 1.00 0.00 H new ATOM 0 HA LEU A 48 68.834 82.371 30.786 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.751 82.063 29.497 1.00 0.00 H new ATOM 0 HB3 LEU A 48 65.845 81.835 30.979 1.00 0.00 H new ATOM 0 HG LEU A 48 66.626 84.101 31.740 1.00 0.00 H new ATOM 0 HD11 LEU A 48 67.440 85.691 30.031 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.586 84.355 30.291 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.538 84.361 28.853 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.099 85.339 30.222 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.163 83.977 29.079 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.427 83.758 30.684 1.00 0.00 H new ATOM 789 N LYS A 49 67.330 81.510 33.560 1.00 0.00 N ATOM 790 CA LYS A 49 67.330 81.650 35.030 1.00 0.00 C ATOM 791 C LYS A 49 68.690 81.390 35.640 1.00 0.00 C ATOM 792 O LYS A 49 69.050 82.100 36.570 1.00 0.00 O ATOM 793 CB LYS A 49 66.250 80.760 35.670 1.00 0.00 C ATOM 794 CG LYS A 49 64.800 81.140 35.290 1.00 0.00 C ATOM 795 CD LYS A 49 63.780 80.210 35.910 1.00 0.00 C ATOM 796 CE LYS A 49 62.370 80.640 35.530 1.00 0.00 C ATOM 797 NZ LYS A 49 61.390 79.730 36.150 1.00 0.00 N ATOM 0 H LYS A 49 66.731 80.753 33.231 1.00 0.00 H new ATOM 0 HA LYS A 49 67.087 82.690 35.247 1.00 0.00 H new ATOM 0 HB2 LYS A 49 66.430 79.725 35.378 1.00 0.00 H new ATOM 0 HB3 LYS A 49 66.353 80.808 36.754 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.599 82.162 35.611 1.00 0.00 H new ATOM 0 HG3 LYS A 49 64.694 81.120 34.205 1.00 0.00 H new ATOM 0 HD2 LYS A 49 63.958 79.188 35.574 1.00 0.00 H new ATOM 0 HD3 LYS A 49 63.888 80.213 36.995 1.00 0.00 H new ATOM 0 HE2 LYS A 49 62.190 81.663 35.860 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.256 80.630 34.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 60.431 79.995 35.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 61.588 78.753 35.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 61.458 79.799 37.185 1.00 0.00 H new ATOM 811 N ALA A 50 69.420 80.440 35.100 1.00 0.00 N ATOM 812 CA ALA A 50 70.740 80.120 35.600 1.00 0.00 C ATOM 813 C ALA A 50 71.730 81.270 35.630 1.00 0.00 C ATOM 814 O ALA A 50 72.350 81.520 36.650 1.00 0.00 O ATOM 815 CB ALA A 50 71.310 79.020 34.740 1.00 0.00 C ATOM 0 H ALA A 50 69.120 79.871 34.308 1.00 0.00 H new ATOM 0 HA ALA A 50 70.603 79.830 36.642 1.00 0.00 H new ATOM 0 HB1 ALA A 50 72.307 78.759 35.096 1.00 0.00 H new ATOM 0 HB2 ALA A 50 70.664 78.144 34.795 1.00 0.00 H new ATOM 0 HB3 ALA A 50 71.372 79.361 33.707 1.00 0.00 H new ATOM 821 N VAL A 51 71.790 81.970 34.490 1.00 0.00 N ATOM 822 CA VAL A 51 72.710 83.080 34.290 1.00 0.00 C ATOM 823 C VAL A 51 72.340 84.110 35.370 1.00 0.00 C ATOM 824 O VAL A 51 73.170 84.610 36.110 1.00 0.00 O ATOM 825 CB VAL A 51 72.550 83.680 32.880 1.00 0.00 C ATOM 826 CG1 VAL A 51 73.470 84.880 32.740 1.00 0.00 C ATOM 827 CG2 VAL A 51 72.920 82.690 31.770 1.00 0.00 C ATOM 0 H VAL A 51 71.197 81.776 33.683 1.00 0.00 H new ATOM 0 HA VAL A 51 73.750 82.764 34.370 1.00 0.00 H new ATOM 0 HB VAL A 51 71.500 83.951 32.771 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.360 85.308 31.744 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.208 85.629 33.488 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.503 84.566 32.888 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.788 83.167 30.799 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.960 82.385 31.886 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.275 81.813 31.834 1.00 0.00 H new ATOM 837 N ASP A 52 71.060 84.370 35.590 1.00 0.00 N ATOM 838 CA ASP A 52 70.680 85.270 36.680 1.00 0.00 C ATOM 839 C ASP A 52 70.950 84.730 38.080 1.00 0.00 C ATOM 840 O ASP A 52 71.450 85.450 38.930 1.00 0.00 O ATOM 841 CB ASP A 52 69.210 85.590 36.560 1.00 0.00 C ATOM 842 CG ASP A 52 69.030 86.530 35.420 1.00 0.00 C ATOM 843 OD1 ASP A 52 70.000 87.100 34.880 1.00 0.00 O ATOM 844 OD2 ASP A 52 67.880 86.660 34.970 1.00 0.00 O ATOM 0 H ASP A 52 70.284 83.987 35.050 1.00 0.00 H new ATOM 0 HA ASP A 52 71.308 86.154 36.570 1.00 0.00 H new ATOM 0 HB2 ASP A 52 68.635 84.679 36.396 1.00 0.00 H new ATOM 0 HB3 ASP A 52 68.842 86.037 37.483 1.00 0.00 H new ATOM 849 N PHE A 53 70.700 83.450 38.310 1.00 0.00 N ATOM 850 CA PHE A 53 70.910 82.840 39.600 1.00 0.00 C ATOM 851 C PHE A 53 72.360 82.910 40.040 1.00 0.00 C ATOM 852 O PHE A 53 72.650 83.190 41.210 1.00 0.00 O ATOM 853 CB PHE A 53 70.390 81.390 39.510 1.00 0.00 C ATOM 854 CG PHE A 53 68.910 81.220 39.580 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.100 82.190 40.200 1.00 0.00 C ATOM 856 CD2 PHE A 53 68.320 80.080 39.020 1.00 0.00 C ATOM 857 CE1 PHE A 53 66.720 82.050 40.210 1.00 0.00 C ATOM 858 CE2 PHE A 53 66.920 79.940 39.040 1.00 0.00 C ATOM 859 CZ PHE A 53 66.130 80.940 39.620 1.00 0.00 C ATOM 0 H PHE A 53 70.345 82.809 37.600 1.00 0.00 H new ATOM 0 HA PHE A 53 70.361 83.385 40.368 1.00 0.00 H new ATOM 0 HB2 PHE A 53 70.742 80.957 38.574 1.00 0.00 H new ATOM 0 HB3 PHE A 53 70.841 80.813 40.317 1.00 0.00 H new ATOM 0 HD1 PHE A 53 68.556 83.048 40.671 1.00 0.00 H new ATOM 0 HD2 PHE A 53 68.936 79.313 38.575 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.104 82.805 40.677 1.00 0.00 H new ATOM 0 HE2 PHE A 53 66.457 79.065 38.610 1.00 0.00 H new ATOM 0 HZ PHE A 53 65.054 80.847 39.608 1.00 0.00 H new ATOM 869 N PHE A 54 73.270 82.600 39.140 1.00 0.00 N ATOM 870 CA PHE A 54 74.660 82.330 39.480 1.00 0.00 C ATOM 871 C PHE A 54 75.200 83.580 40.120 1.00 0.00 C ATOM 872 O PHE A 54 75.800 83.500 41.190 1.00 0.00 O ATOM 873 CB PHE A 54 75.490 81.910 38.250 1.00 0.00 C ATOM 874 CG PHE A 54 75.050 80.610 37.660 1.00 0.00 C ATOM 875 CD1 PHE A 54 74.480 79.650 38.470 1.00 0.00 C ATOM 876 CD2 PHE A 54 75.160 80.330 36.300 1.00 0.00 C ATOM 877 CE1 PHE A 54 74.040 78.480 37.900 1.00 0.00 C ATOM 878 CE2 PHE A 54 74.730 79.140 35.730 1.00 0.00 C ATOM 879 CZ PHE A 54 74.170 78.170 36.550 1.00 0.00 C ATOM 0 H PHE A 54 73.069 82.527 38.143 1.00 0.00 H new ATOM 0 HA PHE A 54 74.725 81.486 40.167 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.421 82.688 37.490 1.00 0.00 H new ATOM 0 HB3 PHE A 54 76.539 81.835 38.536 1.00 0.00 H new ATOM 0 HD1 PHE A 54 74.381 79.815 39.533 1.00 0.00 H new ATOM 0 HD2 PHE A 54 75.602 81.076 35.657 1.00 0.00 H new ATOM 0 HE1 PHE A 54 73.562 77.754 38.541 1.00 0.00 H new ATOM 0 HE2 PHE A 54 74.829 78.972 34.668 1.00 0.00 H new ATOM 0 HZ PHE A 54 73.849 77.216 36.157 1.00 0.00 H new ATOM 889 N LYS A 55 74.890 84.710 39.460 1.00 0.00 N ATOM 890 CA LYS A 55 75.300 86.050 39.850 1.00 0.00 C ATOM 891 C LYS A 55 74.740 86.390 41.190 1.00 0.00 C ATOM 892 O LYS A 55 75.430 86.940 42.020 1.00 0.00 O ATOM 893 CB LYS A 55 74.810 87.090 38.880 1.00 0.00 C ATOM 894 CG LYS A 55 75.570 86.980 37.590 1.00 0.00 C ATOM 895 CD LYS A 55 75.050 87.920 36.520 1.00 0.00 C ATOM 896 CE LYS A 55 75.820 87.800 35.240 1.00 0.00 C ATOM 897 NZ LYS A 55 75.340 88.770 34.240 1.00 0.00 N ATOM 0 H LYS A 55 74.326 84.703 38.610 1.00 0.00 H new ATOM 0 HA LYS A 55 76.390 86.052 39.866 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.744 86.956 38.697 1.00 0.00 H new ATOM 0 HB3 LYS A 55 74.938 88.086 39.305 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.623 87.194 37.774 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.512 85.954 37.226 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.998 87.706 36.331 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.107 88.947 36.882 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.880 87.966 35.433 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.722 86.788 34.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.890 88.666 33.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 74.334 88.595 34.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 75.457 89.735 34.609 1.00 0.00 H new ATOM 911 N GLU A 56 73.490 86.070 41.410 1.00 0.00 N ATOM 912 CA GLU A 56 72.890 86.320 42.690 1.00 0.00 C ATOM 913 C GLU A 56 73.660 85.640 43.810 1.00 0.00 C ATOM 914 O GLU A 56 73.880 86.280 44.840 1.00 0.00 O ATOM 915 CB GLU A 56 71.450 85.850 42.640 1.00 0.00 C ATOM 916 CG GLU A 56 70.580 86.710 41.730 1.00 0.00 C ATOM 917 CD GLU A 56 69.150 86.170 41.640 1.00 0.00 C ATOM 918 OE1 GLU A 56 68.900 85.050 42.170 1.00 0.00 O ATOM 919 OE2 GLU A 56 68.300 86.890 41.080 1.00 0.00 O ATOM 0 H GLU A 56 72.873 85.638 40.722 1.00 0.00 H new ATOM 0 HA GLU A 56 72.919 87.388 42.905 1.00 0.00 H new ATOM 0 HB2 GLU A 56 71.421 84.817 42.293 1.00 0.00 H new ATOM 0 HB3 GLU A 56 71.034 85.859 43.648 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.560 87.733 42.106 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.019 86.745 40.733 1.00 0.00 H new ATOM 926 N LYS A 57 74.110 84.390 43.630 1.00 0.00 N ATOM 927 CA LYS A 57 74.860 83.650 44.640 1.00 0.00 C ATOM 928 C LYS A 57 76.210 84.250 45.070 1.00 0.00 C ATOM 929 O LYS A 57 76.330 84.600 46.240 1.00 0.00 O ATOM 930 CB LYS A 57 75.000 82.210 44.130 1.00 0.00 C ATOM 931 CG LYS A 57 73.670 81.470 44.190 1.00 0.00 C ATOM 932 CD LYS A 57 73.260 81.180 45.630 1.00 0.00 C ATOM 933 CE LYS A 57 71.920 80.460 45.660 1.00 0.00 C ATOM 934 NZ LYS A 57 71.510 80.180 47.040 1.00 0.00 N ATOM 0 H LYS A 57 73.959 83.864 42.769 1.00 0.00 H new ATOM 0 HA LYS A 57 74.293 83.702 45.569 1.00 0.00 H new ATOM 0 HB2 LYS A 57 75.367 82.219 43.104 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.741 81.680 44.729 1.00 0.00 H new ATOM 0 HG2 LYS A 57 72.898 82.066 43.703 1.00 0.00 H new ATOM 0 HG3 LYS A 57 73.747 80.534 43.636 1.00 0.00 H new ATOM 0 HD2 LYS A 57 74.020 80.569 46.116 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.193 82.112 46.191 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.163 81.070 45.168 1.00 0.00 H new ATOM 0 HE3 LYS A 57 71.991 79.527 45.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 70.593 79.689 47.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 72.224 79.579 47.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 71.422 81.074 47.564 1.00 0.00 H new ATOM 948 N GLY A 58 77.230 84.340 44.230 1.00 0.00 N ATOM 949 CA GLY A 58 78.650 84.420 44.660 1.00 0.00 C ATOM 950 C GLY A 58 79.430 83.140 45.080 1.00 0.00 C ATOM 951 O GLY A 58 80.100 83.250 46.120 1.00 0.00 O ATOM 0 H GLY A 58 77.112 84.361 43.217 1.00 0.00 H new ATOM 0 HA2 GLY A 58 79.206 84.880 43.843 1.00 0.00 H new ATOM 0 HA3 GLY A 58 78.691 85.111 45.502 1.00 0.00 H new ATOM 955 N HIS A 59 79.290 81.950 44.470 1.00 0.00 N ATOM 956 CA HIS A 59 80.310 80.840 44.570 1.00 0.00 C ATOM 957 C HIS A 59 81.210 80.550 43.320 1.00 0.00 C ATOM 958 O HIS A 59 82.380 80.160 43.440 1.00 0.00 O ATOM 959 CB HIS A 59 79.590 79.550 44.980 1.00 0.00 C ATOM 960 CG HIS A 59 78.970 79.590 46.350 1.00 0.00 C ATOM 961 ND1 HIS A 59 79.720 79.710 47.500 1.00 0.00 N ATOM 962 CD2 HIS A 59 77.660 79.540 46.730 1.00 0.00 C ATOM 963 CE1 HIS A 59 78.890 79.810 48.540 1.00 0.00 C ATOM 964 NE2 HIS A 59 77.630 79.690 48.100 1.00 0.00 N ATOM 0 H HIS A 59 78.482 81.711 43.894 1.00 0.00 H new ATOM 0 HA HIS A 59 81.020 81.203 45.313 1.00 0.00 H new ATOM 0 HB2 HIS A 59 78.811 79.336 44.249 1.00 0.00 H new ATOM 0 HB3 HIS A 59 80.300 78.724 44.940 1.00 0.00 H new ATOM 0 HD2 HIS A 59 76.808 79.408 46.080 1.00 0.00 H new ATOM 0 HE1 HIS A 59 79.185 79.963 49.568 1.00 0.00 H new ATOM 0 HE2 HIS A 59 76.791 79.707 48.680 1.00 0.00 H new ATOM 972 N THR A 60 80.670 80.720 42.120 1.00 0.00 N ATOM 973 CA THR A 60 81.370 80.560 40.830 1.00 0.00 C ATOM 974 C THR A 60 82.410 81.670 40.710 1.00 0.00 C ATOM 975 O THR A 60 82.290 82.720 41.310 1.00 0.00 O ATOM 976 CB THR A 60 80.390 80.540 39.660 1.00 0.00 C ATOM 977 OG1 THR A 60 81.030 80.130 38.470 1.00 0.00 O ATOM 978 CG2 THR A 60 79.870 81.920 39.410 1.00 0.00 C ATOM 0 H THR A 60 79.692 80.984 42.003 1.00 0.00 H new ATOM 0 HA THR A 60 81.879 79.597 40.797 1.00 0.00 H new ATOM 0 HB THR A 60 79.589 79.848 39.921 1.00 0.00 H new ATOM 0 HG1 THR A 60 81.950 79.857 38.671 1.00 0.00 H new ATOM 0 HG21 THR A 60 79.171 81.900 38.574 1.00 0.00 H new ATOM 0 HG22 THR A 60 79.359 82.283 40.302 1.00 0.00 H new ATOM 0 HG23 THR A 60 80.701 82.584 39.172 1.00 0.00 H new ATOM 986 N ALA A 61 83.460 81.450 39.970 1.00 0.00 N ATOM 987 CA ALA A 61 84.400 82.470 39.640 1.00 0.00 C ATOM 988 C ALA A 61 83.960 83.140 38.360 1.00 0.00 C ATOM 989 O ALA A 61 84.030 84.370 38.270 1.00 0.00 O ATOM 990 CB ALA A 61 85.730 81.790 39.430 1.00 0.00 C ATOM 0 H ALA A 61 83.686 80.537 39.574 1.00 0.00 H new ATOM 0 HA ALA A 61 84.472 83.222 40.426 1.00 0.00 H new ATOM 0 HB1 ALA A 61 86.483 82.535 39.174 1.00 0.00 H new ATOM 0 HB2 ALA A 61 86.024 81.276 40.345 1.00 0.00 H new ATOM 0 HB3 ALA A 61 85.645 81.067 38.619 1.00 0.00 H new ATOM 996 N TYR A 62 83.470 82.320 37.430 1.00 0.00 N ATOM 997 CA TYR A 62 83.180 82.760 36.080 1.00 0.00 C ATOM 998 C TYR A 62 82.030 81.990 35.470 1.00 0.00 C ATOM 999 O TYR A 62 81.850 80.800 35.760 1.00 0.00 O ATOM 1000 CB TYR A 62 84.450 82.650 35.250 1.00 0.00 C ATOM 1001 CG TYR A 62 84.260 83.180 33.860 1.00 0.00 C ATOM 1002 CD1 TYR A 62 84.170 84.550 33.620 1.00 0.00 C ATOM 1003 CD2 TYR A 62 84.230 82.320 32.780 1.00 0.00 C ATOM 1004 CE1 TYR A 62 84.020 84.950 32.300 1.00 0.00 C ATOM 1005 CE2 TYR A 62 83.990 82.730 31.500 1.00 0.00 C ATOM 1006 CZ TYR A 62 83.840 84.070 31.250 1.00 0.00 C ATOM 1007 OH TYR A 62 83.740 84.550 30.020 1.00 0.00 O ATOM 0 H TYR A 62 83.266 81.335 37.599 1.00 0.00 H new ATOM 0 HA TYR A 62 82.857 83.801 36.100 1.00 0.00 H new ATOM 0 HB2 TYR A 62 85.253 83.200 35.741 1.00 0.00 H new ATOM 0 HB3 TYR A 62 84.762 81.607 35.201 1.00 0.00 H new ATOM 0 HD1 TYR A 62 84.215 85.268 34.425 1.00 0.00 H new ATOM 0 HD2 TYR A 62 84.405 81.269 32.957 1.00 0.00 H new ATOM 0 HE1 TYR A 62 84.045 86.007 32.081 1.00 0.00 H new ATOM 0 HE2 TYR A 62 83.919 82.011 30.697 1.00 0.00 H new ATOM 0 HH TYR A 62 83.618 83.810 29.389 1.00 0.00 H new ATOM 1017 N LEU A 63 81.310 82.620 34.530 1.00 0.00 N ATOM 1018 CA LEU A 63 80.310 81.980 33.680 1.00 0.00 C ATOM 1019 C LEU A 63 80.520 82.410 32.220 1.00 0.00 C ATOM 1020 O LEU A 63 80.660 83.610 31.980 1.00 0.00 O ATOM 1021 CB LEU A 63 78.920 82.330 34.180 1.00 0.00 C ATOM 1022 CG LEU A 63 77.830 81.700 33.300 1.00 0.00 C ATOM 1023 CD1 LEU A 63 77.880 80.190 33.390 1.00 0.00 C ATOM 1024 CD2 LEU A 63 76.460 82.160 33.770 1.00 0.00 C ATOM 0 H LEU A 63 81.415 83.617 34.339 1.00 0.00 H new ATOM 0 HA LEU A 63 80.417 80.896 33.724 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.804 81.985 35.207 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.799 83.413 34.192 1.00 0.00 H new ATOM 0 HG LEU A 63 78.004 82.012 32.270 1.00 0.00 H new ATOM 0 HD11 LEU A 63 77.100 79.762 32.760 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.854 79.837 33.052 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.721 79.882 34.423 1.00 0.00 H new ATOM 0 HD21 LEU A 63 75.690 81.710 33.143 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.309 81.854 34.805 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.397 83.246 33.700 1.00 0.00 H new ATOM 1036 N ASP A 64 80.400 81.430 31.310 1.00 0.00 N ATOM 1037 CA ASP A 64 80.390 81.550 29.820 1.00 0.00 C ATOM 1038 C ASP A 64 79.470 80.540 29.090 1.00 0.00 C ATOM 1039 O ASP A 64 79.000 79.570 29.670 1.00 0.00 O ATOM 1040 CB ASP A 64 81.790 81.300 29.320 1.00 0.00 C ATOM 1041 CG ASP A 64 82.090 81.740 27.910 1.00 0.00 C ATOM 1042 OD1 ASP A 64 81.140 82.360 27.380 1.00 0.00 O ATOM 1043 OD2 ASP A 64 83.290 81.820 27.530 1.00 0.00 O ATOM 0 H ASP A 64 80.299 80.458 31.604 1.00 0.00 H new ATOM 0 HA ASP A 64 80.010 82.549 29.604 1.00 0.00 H new ATOM 0 HB2 ASP A 64 82.486 81.804 29.990 1.00 0.00 H new ATOM 0 HB3 ASP A 64 81.993 80.232 29.394 1.00 0.00 H new ATOM 1048 N GLU A 65 79.080 80.770 27.830 1.00 0.00 N ATOM 1049 CA GLU A 65 78.430 79.740 27.030 1.00 0.00 C ATOM 1050 C GLU A 65 79.450 78.700 26.640 1.00 0.00 C ATOM 1051 O GLU A 65 80.650 78.970 26.620 1.00 0.00 O ATOM 1052 CB GLU A 65 77.760 80.290 25.760 1.00 0.00 C ATOM 1053 CG GLU A 65 76.550 81.150 26.060 1.00 0.00 C ATOM 1054 CD GLU A 65 75.910 81.750 24.830 1.00 0.00 C ATOM 1055 OE1 GLU A 65 76.390 81.490 23.710 1.00 0.00 O ATOM 1056 OE2 GLU A 65 74.930 82.500 25.010 1.00 0.00 O ATOM 0 H GLU A 65 79.206 81.660 27.349 1.00 0.00 H new ATOM 0 HA GLU A 65 77.641 79.309 27.646 1.00 0.00 H new ATOM 0 HB2 GLU A 65 78.486 80.876 25.197 1.00 0.00 H new ATOM 0 HB3 GLU A 65 77.460 79.458 25.124 1.00 0.00 H new ATOM 0 HG2 GLU A 65 75.810 80.548 26.587 1.00 0.00 H new ATOM 0 HG3 GLU A 65 76.845 81.954 26.734 1.00 0.00 H new ATOM 1063 N VAL A 66 78.990 77.520 26.240 1.00 0.00 N ATOM 1064 CA VAL A 66 79.740 76.710 25.290 1.00 0.00 C ATOM 1065 C VAL A 66 79.280 77.060 23.870 1.00 0.00 C ATOM 1066 O VAL A 66 78.090 77.000 23.590 1.00 0.00 O ATOM 1067 CB VAL A 66 79.570 75.220 25.580 1.00 0.00 C ATOM 1068 CG1 VAL A 66 80.420 74.430 24.580 1.00 0.00 C ATOM 1069 CG2 VAL A 66 80.100 74.820 26.950 1.00 0.00 C ATOM 0 H VAL A 66 78.112 77.107 26.555 1.00 0.00 H new ATOM 0 HA VAL A 66 80.803 76.929 25.386 1.00 0.00 H new ATOM 0 HB VAL A 66 78.502 75.012 25.520 1.00 0.00 H new ATOM 0 HG11 VAL A 66 80.311 73.363 24.773 1.00 0.00 H new ATOM 0 HG12 VAL A 66 80.088 74.652 23.566 1.00 0.00 H new ATOM 0 HG13 VAL A 66 81.467 74.713 24.689 1.00 0.00 H new ATOM 0 HG21 VAL A 66 79.952 73.751 27.099 1.00 0.00 H new ATOM 0 HG22 VAL A 66 81.164 75.051 27.010 1.00 0.00 H new ATOM 0 HG23 VAL A 66 79.565 75.372 27.723 1.00 0.00 H new ATOM 1079 N ARG A 67 80.170 77.280 22.900 1.00 0.00 N ATOM 1080 CA ARG A 67 79.870 77.030 21.480 1.00 0.00 C ATOM 1081 C ARG A 67 80.100 75.580 21.030 1.00 0.00 C ATOM 1082 O ARG A 67 80.910 75.310 20.190 1.00 0.00 O ATOM 1083 CB ARG A 67 80.660 77.980 20.570 1.00 0.00 C ATOM 1084 CG ARG A 67 80.380 79.450 20.880 1.00 0.00 C ATOM 1085 CD ARG A 67 78.890 79.750 20.830 1.00 0.00 C ATOM 1086 NE ARG A 67 78.620 81.160 21.140 1.00 0.00 N ATOM 1087 CZ ARG A 67 77.430 81.710 21.050 1.00 0.00 C ATOM 1088 NH1 ARG A 67 76.410 81.020 20.620 1.00 0.00 N ATOM 1089 NH2 ARG A 67 77.260 82.980 21.300 1.00 0.00 N ATOM 0 H ARG A 67 81.112 77.633 23.069 1.00 0.00 H new ATOM 0 HA ARG A 67 78.801 77.221 21.384 1.00 0.00 H new ATOM 0 HB2 ARG A 67 81.726 77.784 20.683 1.00 0.00 H new ATOM 0 HB3 ARG A 67 80.407 77.776 19.529 1.00 0.00 H new ATOM 0 HG2 ARG A 67 80.770 79.697 21.868 1.00 0.00 H new ATOM 0 HG3 ARG A 67 80.905 80.082 20.163 1.00 0.00 H new ATOM 0 HD2 ARG A 67 78.502 79.512 19.840 1.00 0.00 H new ATOM 0 HD3 ARG A 67 78.364 79.112 21.540 1.00 0.00 H new ATOM 0 HE ARG A 67 79.399 81.745 21.442 1.00 0.00 H new ATOM 0 HH11 ARG A 67 76.532 80.044 20.350 1.00 0.00 H new ATOM 0 HH12 ARG A 67 75.490 81.456 20.554 1.00 0.00 H new ATOM 0 HH21 ARG A 67 78.056 83.558 21.569 1.00 0.00 H new ATOM 0 HH22 ARG A 67 76.331 83.394 21.226 1.00 0.00 H new ATOM 1103 N VAL A 68 79.370 74.620 21.560 1.00 0.00 N ATOM 1104 CA VAL A 68 78.630 73.610 20.760 1.00 0.00 C ATOM 1105 C VAL A 68 77.180 74.070 20.690 1.00 0.00 C ATOM 1106 O VAL A 68 76.250 73.300 20.470 1.00 0.00 O ATOM 1107 CB VAL A 68 78.750 72.230 21.380 1.00 0.00 C ATOM 1108 CG1 VAL A 68 80.210 71.800 21.560 1.00 0.00 C ATOM 1109 CG2 VAL A 68 78.080 72.190 22.710 1.00 0.00 C ATOM 0 H VAL A 68 79.259 74.500 22.567 1.00 0.00 H new ATOM 0 HA VAL A 68 79.048 73.529 19.756 1.00 0.00 H new ATOM 0 HB VAL A 68 78.264 71.540 20.690 1.00 0.00 H new ATOM 0 HG11 VAL A 68 80.244 70.806 22.007 1.00 0.00 H new ATOM 0 HG12 VAL A 68 80.705 71.779 20.589 1.00 0.00 H new ATOM 0 HG13 VAL A 68 80.720 72.509 22.212 1.00 0.00 H new ATOM 0 HG21 VAL A 68 78.178 71.192 23.137 1.00 0.00 H new ATOM 0 HG22 VAL A 68 78.547 72.916 23.375 1.00 0.00 H new ATOM 0 HG23 VAL A 68 77.024 72.432 22.593 1.00 0.00 H new ATOM 1119 N SER A 69 76.970 75.370 20.960 1.00 0.00 N ATOM 1120 CA SER A 69 75.710 76.020 21.160 1.00 0.00 C ATOM 1121 C SER A 69 74.960 75.870 19.870 1.00 0.00 C ATOM 1122 O SER A 69 73.820 75.420 19.880 1.00 0.00 O ATOM 1123 CB SER A 69 75.820 77.530 21.470 1.00 0.00 C ATOM 1124 OG SER A 69 76.330 78.260 20.360 1.00 0.00 O ATOM 0 H SER A 69 77.749 76.022 21.046 1.00 0.00 H new ATOM 0 HA SER A 69 75.223 75.564 22.022 1.00 0.00 H new ATOM 0 HB2 SER A 69 74.838 77.918 21.741 1.00 0.00 H new ATOM 0 HB3 SER A 69 76.470 77.678 22.332 1.00 0.00 H new ATOM 0 HG SER A 69 75.590 78.526 19.775 1.00 0.00 H new ATOM 1130 N THR A 70 75.620 76.190 18.760 1.00 0.00 N ATOM 1131 CA THR A 70 75.010 76.210 17.440 1.00 0.00 C ATOM 1132 C THR A 70 74.540 74.790 17.100 1.00 0.00 C ATOM 1133 O THR A 70 73.450 74.610 16.600 1.00 0.00 O ATOM 1134 CB THR A 70 76.000 76.750 16.400 1.00 0.00 C ATOM 1135 OG1 THR A 70 76.420 78.070 16.700 1.00 0.00 O ATOM 1136 CG2 THR A 70 75.370 76.770 15.030 1.00 0.00 C ATOM 0 H THR A 70 76.607 76.446 18.756 1.00 0.00 H new ATOM 0 HA THR A 70 74.148 76.877 17.431 1.00 0.00 H new ATOM 0 HB THR A 70 76.862 76.084 16.421 1.00 0.00 H new ATOM 0 HG1 THR A 70 77.051 78.376 16.015 1.00 0.00 H new ATOM 0 HG21 THR A 70 76.087 77.156 14.305 1.00 0.00 H new ATOM 0 HG22 THR A 70 75.079 75.758 14.749 1.00 0.00 H new ATOM 0 HG23 THR A 70 74.488 77.411 15.044 1.00 0.00 H new ATOM 1144 N ASP A 71 75.320 73.780 17.450 1.00 0.00 N ATOM 1145 CA ASP A 71 74.940 72.380 17.310 1.00 0.00 C ATOM 1146 C ASP A 71 73.880 71.850 18.270 1.00 0.00 C ATOM 1147 O ASP A 71 73.010 71.090 17.810 1.00 0.00 O ATOM 1148 CB ASP A 71 76.210 71.580 17.500 1.00 0.00 C ATOM 1149 CG ASP A 71 77.110 71.710 16.290 1.00 0.00 C ATOM 1150 OD1 ASP A 71 76.650 72.260 15.270 1.00 0.00 O ATOM 1151 OD2 ASP A 71 78.320 71.420 16.400 1.00 0.00 O ATOM 0 H ASP A 71 76.251 73.910 17.846 1.00 0.00 H new ATOM 0 HA ASP A 71 74.473 72.283 16.330 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.735 71.928 18.389 1.00 0.00 H new ATOM 0 HB3 ASP A 71 75.964 70.531 17.665 1.00 0.00 H new ATOM 1156 N GLU A 72 73.920 72.240 19.550 1.00 0.00 N ATOM 1157 CA GLU A 72 73.120 71.600 20.600 1.00 0.00 C ATOM 1158 C GLU A 72 72.350 72.540 21.500 1.00 0.00 C ATOM 1159 O GLU A 72 71.240 72.250 21.930 1.00 0.00 O ATOM 1160 CB GLU A 72 73.970 70.700 21.470 1.00 0.00 C ATOM 1161 CG GLU A 72 74.400 69.510 20.620 1.00 0.00 C ATOM 1162 CD GLU A 72 75.330 68.590 21.350 1.00 0.00 C ATOM 1163 OE1 GLU A 72 75.540 68.830 22.520 1.00 0.00 O ATOM 1164 OE2 GLU A 72 75.850 67.600 20.820 1.00 0.00 O ATOM 0 H GLU A 72 74.505 73.005 19.885 1.00 0.00 H new ATOM 0 HA GLU A 72 72.381 71.028 20.039 1.00 0.00 H new ATOM 0 HB2 GLU A 72 74.841 71.239 21.843 1.00 0.00 H new ATOM 0 HB3 GLU A 72 73.406 70.365 22.340 1.00 0.00 H new ATOM 0 HG2 GLU A 72 73.517 68.954 20.306 1.00 0.00 H new ATOM 0 HG3 GLU A 72 74.888 69.872 19.715 1.00 0.00 H new ATOM 1171 N LYS A 73 72.970 73.690 21.760 1.00 0.00 N ATOM 1172 CA LYS A 73 72.570 74.800 22.620 1.00 0.00 C ATOM 1173 C LYS A 73 72.340 74.530 24.090 1.00 0.00 C ATOM 1174 O LYS A 73 71.460 75.130 24.680 1.00 0.00 O ATOM 1175 CB LYS A 73 71.330 75.390 22.010 1.00 0.00 C ATOM 1176 CG LYS A 73 70.830 76.710 22.620 1.00 0.00 C ATOM 1177 CD LYS A 73 69.550 77.270 22.070 1.00 0.00 C ATOM 1178 CE LYS A 73 69.110 78.500 22.780 1.00 0.00 C ATOM 1179 NZ LYS A 73 67.920 79.050 22.120 1.00 0.00 N ATOM 0 H LYS A 73 73.869 73.887 21.321 1.00 0.00 H new ATOM 0 HA LYS A 73 73.431 75.468 22.648 1.00 0.00 H new ATOM 0 HB2 LYS A 73 71.516 75.553 20.948 1.00 0.00 H new ATOM 0 HB3 LYS A 73 70.529 74.654 22.084 1.00 0.00 H new ATOM 0 HG2 LYS A 73 70.702 76.561 23.692 1.00 0.00 H new ATOM 0 HG3 LYS A 73 71.611 77.460 22.493 1.00 0.00 H new ATOM 0 HD2 LYS A 73 69.681 77.494 21.011 1.00 0.00 H new ATOM 0 HD3 LYS A 73 68.767 76.515 22.141 1.00 0.00 H new ATOM 0 HE2 LYS A 73 68.887 78.271 23.822 1.00 0.00 H new ATOM 0 HE3 LYS A 73 69.912 79.238 22.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 67.613 79.910 22.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 68.148 79.284 21.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 67.155 78.346 22.142 1.00 0.00 H new ATOM 1193 N ASP A 74 73.060 73.750 24.820 1.00 0.00 N ATOM 1194 CA ASP A 74 72.500 73.400 26.160 1.00 0.00 C ATOM 1195 C ASP A 74 73.450 73.470 27.290 1.00 0.00 C ATOM 1196 O ASP A 74 72.980 73.430 28.430 1.00 0.00 O ATOM 1197 CB ASP A 74 71.770 72.090 26.100 1.00 0.00 C ATOM 1198 CG ASP A 74 72.590 70.990 25.490 1.00 0.00 C ATOM 1199 OD1 ASP A 74 73.830 71.160 25.370 1.00 0.00 O ATOM 1200 OD2 ASP A 74 71.940 69.980 25.180 1.00 0.00 O ATOM 0 H ASP A 74 73.967 73.350 24.577 1.00 0.00 H new ATOM 0 HA ASP A 74 71.788 74.192 26.391 1.00 0.00 H new ATOM 0 HB2 ASP A 74 71.474 71.799 27.108 1.00 0.00 H new ATOM 0 HB3 ASP A 74 70.854 72.216 25.522 1.00 0.00 H new ATOM 1205 N PHE A 75 74.710 73.690 26.980 1.00 0.00 N ATOM 1206 CA PHE A 75 75.760 73.900 27.960 1.00 0.00 C ATOM 1207 C PHE A 75 76.160 75.360 28.140 1.00 0.00 C ATOM 1208 O PHE A 75 76.680 76.030 27.260 1.00 0.00 O ATOM 1209 CB PHE A 75 76.970 73.090 27.550 1.00 0.00 C ATOM 1210 CG PHE A 75 76.720 71.630 27.760 1.00 0.00 C ATOM 1211 CD1 PHE A 75 76.400 71.080 28.980 1.00 0.00 C ATOM 1212 CD2 PHE A 75 76.820 70.800 26.690 1.00 0.00 C ATOM 1213 CE1 PHE A 75 76.190 69.710 29.120 1.00 0.00 C ATOM 1214 CE2 PHE A 75 76.660 69.410 26.820 1.00 0.00 C ATOM 1215 CZ PHE A 75 76.280 68.850 28.030 1.00 0.00 C ATOM 0 H PHE A 75 75.043 73.729 26.017 1.00 0.00 H new ATOM 0 HA PHE A 75 75.366 73.577 28.923 1.00 0.00 H new ATOM 0 HB2 PHE A 75 77.202 73.278 26.502 1.00 0.00 H new ATOM 0 HB3 PHE A 75 77.838 73.403 28.130 1.00 0.00 H new ATOM 0 HD1 PHE A 75 76.310 71.722 29.844 1.00 0.00 H new ATOM 0 HD2 PHE A 75 77.027 71.218 25.716 1.00 0.00 H new ATOM 0 HE1 PHE A 75 75.953 69.308 30.094 1.00 0.00 H new ATOM 0 HE2 PHE A 75 76.835 68.771 25.967 1.00 0.00 H new ATOM 0 HZ PHE A 75 76.064 67.796 28.122 1.00 0.00 H new ATOM 1225 N LEU A 76 75.940 75.840 29.360 1.00 0.00 N ATOM 1226 CA LEU A 76 76.800 76.830 30.000 1.00 0.00 C ATOM 1227 C LEU A 76 78.080 76.160 30.560 1.00 0.00 C ATOM 1228 O LEU A 76 78.040 75.010 31.000 1.00 0.00 O ATOM 1229 CB LEU A 76 76.030 77.520 31.090 1.00 0.00 C ATOM 1230 CG LEU A 76 74.720 78.210 30.790 1.00 0.00 C ATOM 1231 CD1 LEU A 76 73.980 78.680 32.050 1.00 0.00 C ATOM 1232 CD2 LEU A 76 75.060 79.420 29.950 1.00 0.00 C ATOM 0 H LEU A 76 75.151 75.550 29.938 1.00 0.00 H new ATOM 0 HA LEU A 76 77.113 77.570 29.264 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.832 76.777 31.863 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.693 78.266 31.528 1.00 0.00 H new ATOM 0 HG LEU A 76 74.058 77.505 30.287 1.00 0.00 H new ATOM 0 HD11 LEU A 76 73.048 79.167 31.764 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.761 77.821 32.685 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.605 79.386 32.597 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.146 79.959 29.702 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.728 80.075 30.509 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.552 79.099 29.032 1.00 0.00 H new ATOM 1244 N TYR A 77 79.190 76.870 30.420 1.00 0.00 N ATOM 1245 CA TYR A 77 80.510 76.610 30.990 1.00 0.00 C ATOM 1246 C TYR A 77 80.640 77.430 32.310 1.00 0.00 C ATOM 1247 O TYR A 77 80.870 78.640 32.230 1.00 0.00 O ATOM 1248 CB TYR A 77 81.590 77.020 29.970 1.00 0.00 C ATOM 1249 CG TYR A 77 82.910 76.400 30.300 1.00 0.00 C ATOM 1250 CD1 TYR A 77 83.170 75.030 30.100 1.00 0.00 C ATOM 1251 CD2 TYR A 77 83.940 77.220 30.740 1.00 0.00 C ATOM 1252 CE1 TYR A 77 84.410 74.450 30.420 1.00 0.00 C ATOM 1253 CE2 TYR A 77 85.170 76.620 31.040 1.00 0.00 C ATOM 1254 CZ TYR A 77 85.430 75.270 30.950 1.00 0.00 C ATOM 1255 OH TYR A 77 86.650 74.930 31.450 1.00 0.00 O ATOM 0 H TYR A 77 79.193 77.719 29.855 1.00 0.00 H new ATOM 0 HA TYR A 77 80.640 75.551 31.214 1.00 0.00 H new ATOM 0 HB2 TYR A 77 81.283 76.716 28.969 1.00 0.00 H new ATOM 0 HB3 TYR A 77 81.688 78.105 29.957 1.00 0.00 H new ATOM 0 HD1 TYR A 77 82.392 74.405 29.688 1.00 0.00 H new ATOM 0 HD2 TYR A 77 83.798 78.285 30.848 1.00 0.00 H new ATOM 0 HE1 TYR A 77 84.580 73.395 30.263 1.00 0.00 H new ATOM 0 HE2 TYR A 77 85.974 77.263 31.366 1.00 0.00 H new ATOM 0 HH TYR A 77 87.271 75.679 31.334 1.00 0.00 H new ATOM 1265 N GLU A 78 80.440 76.880 33.520 1.00 0.00 N ATOM 1266 CA GLU A 78 80.430 77.650 34.800 1.00 0.00 C ATOM 1267 C GLU A 78 81.510 77.160 35.750 1.00 0.00 C ATOM 1268 O GLU A 78 81.580 75.980 36.050 1.00 0.00 O ATOM 1269 CB GLU A 78 79.110 77.520 35.560 1.00 0.00 C ATOM 1270 CG GLU A 78 79.010 78.410 36.790 1.00 0.00 C ATOM 1271 CD GLU A 78 77.720 78.190 37.590 1.00 0.00 C ATOM 1272 OE1 GLU A 78 76.920 77.350 37.130 1.00 0.00 O ATOM 1273 OE2 GLU A 78 77.500 78.970 38.550 1.00 0.00 O ATOM 0 H GLU A 78 80.278 75.881 33.650 1.00 0.00 H new ATOM 0 HA GLU A 78 80.594 78.686 34.502 1.00 0.00 H new ATOM 0 HB2 GLU A 78 78.289 77.759 34.884 1.00 0.00 H new ATOM 0 HB3 GLU A 78 78.980 76.482 35.865 1.00 0.00 H new ATOM 0 HG2 GLU A 78 79.867 78.223 37.437 1.00 0.00 H new ATOM 0 HG3 GLU A 78 79.065 79.454 36.481 1.00 0.00 H new ATOM 1280 N LEU A 79 82.450 78.000 36.190 1.00 0.00 N ATOM 1281 CA LEU A 79 83.660 77.470 36.860 1.00 0.00 C ATOM 1282 C LEU A 79 83.760 78.040 38.230 1.00 0.00 C ATOM 1283 O LEU A 79 83.620 79.250 38.390 1.00 0.00 O ATOM 1284 CB LEU A 79 84.950 77.800 36.120 1.00 0.00 C ATOM 1285 CG LEU A 79 85.050 77.110 34.800 1.00 0.00 C ATOM 1286 CD1 LEU A 79 83.910 77.460 33.910 1.00 0.00 C ATOM 1287 CD2 LEU A 79 86.390 77.260 34.130 1.00 0.00 C ATOM 0 H LEU A 79 82.410 79.016 36.104 1.00 0.00 H new ATOM 0 HA LEU A 79 83.550 76.386 36.879 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.011 78.878 35.968 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.802 77.517 36.739 1.00 0.00 H new ATOM 0 HG LEU A 79 84.974 76.044 35.013 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.018 76.939 32.959 1.00 0.00 H new ATOM 0 HD12 LEU A 79 82.974 77.162 34.383 1.00 0.00 H new ATOM 0 HD13 LEU A 79 83.902 78.536 33.735 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.382 76.731 33.177 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.594 78.317 33.956 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.166 76.841 34.771 1.00 0.00 H new ATOM 1299 N HIS A 80 84.050 77.190 39.210 1.00 0.00 N ATOM 1300 CA HIS A 80 83.770 77.520 40.590 1.00 0.00 C ATOM 1301 C HIS A 80 85.050 77.670 41.320 1.00 0.00 C ATOM 1302 O HIS A 80 85.890 76.780 41.210 1.00 0.00 O ATOM 1303 CB HIS A 80 82.900 76.490 41.270 1.00 0.00 C ATOM 1304 CG HIS A 80 81.580 76.240 40.600 1.00 0.00 C ATOM 1305 ND1 HIS A 80 80.660 75.330 41.070 1.00 0.00 N ATOM 1306 CD2 HIS A 80 81.060 76.850 39.490 1.00 0.00 C ATOM 1307 CE1 HIS A 80 79.630 75.340 40.210 1.00 0.00 C ATOM 1308 NE2 HIS A 80 79.840 76.260 39.260 1.00 0.00 N ATOM 0 H HIS A 80 84.476 76.274 39.069 1.00 0.00 H new ATOM 0 HA HIS A 80 83.212 78.457 40.603 1.00 0.00 H new ATOM 0 HB2 HIS A 80 83.449 75.550 41.323 1.00 0.00 H new ATOM 0 HB3 HIS A 80 82.716 76.810 42.296 1.00 0.00 H new ATOM 0 HD1 HIS A 80 80.745 74.758 41.910 1.00 0.00 H new ATOM 0 HD2 HIS A 80 81.517 77.638 38.910 1.00 0.00 H new ATOM 0 HE1 HIS A 80 78.761 74.701 40.274 1.00 0.00 H new ATOM 1316 N ILE A 81 85.220 78.820 41.960 1.00 0.00 N ATOM 1317 CA ILE A 81 86.510 79.510 41.940 1.00 0.00 C ATOM 1318 C ILE A 81 87.620 78.840 41.140 1.00 0.00 C ATOM 1319 O ILE A 81 88.240 77.940 41.700 1.00 0.00 O ATOM 1320 CB ILE A 81 86.930 79.770 43.380 1.00 0.00 C ATOM 1321 CG1 ILE A 81 85.980 80.780 44.010 1.00 0.00 C ATOM 1322 CG2 ILE A 81 88.340 80.350 43.480 1.00 0.00 C ATOM 1323 CD1 ILE A 81 85.950 82.150 43.360 1.00 0.00 C ATOM 0 H ILE A 81 84.492 79.293 42.495 1.00 0.00 H new ATOM 0 HA ILE A 81 86.356 80.441 41.394 1.00 0.00 H new ATOM 0 HB ILE A 81 86.904 78.809 43.894 1.00 0.00 H new ATOM 0 HG12 ILE A 81 84.972 80.366 43.988 1.00 0.00 H new ATOM 0 HG13 ILE A 81 86.252 80.902 45.059 1.00 0.00 H new ATOM 0 HG21 ILE A 81 88.591 80.517 44.527 1.00 0.00 H new ATOM 0 HG22 ILE A 81 89.053 79.651 43.043 1.00 0.00 H new ATOM 0 HG23 ILE A 81 88.383 81.296 42.941 1.00 0.00 H new ATOM 0 HD11 ILE A 81 85.241 82.788 43.888 1.00 0.00 H new ATOM 0 HD12 ILE A 81 86.943 82.596 43.406 1.00 0.00 H new ATOM 0 HD13 ILE A 81 85.644 82.052 42.318 1.00 0.00 H new ATOM 1335 N ILE A 82 87.860 79.280 39.880 1.00 0.00 N ATOM 1336 CA ILE A 82 89.090 78.870 39.110 1.00 0.00 C ATOM 1337 C ILE A 82 90.320 79.090 40.070 1.00 0.00 C ATOM 1338 O ILE A 82 91.460 78.740 39.670 1.00 0.00 O ATOM 1339 CB ILE A 82 89.260 79.600 37.740 1.00 0.00 C ATOM 1340 CG1 ILE A 82 88.080 79.360 36.800 1.00 0.00 C ATOM 1341 CG2 ILE A 82 90.510 79.120 36.990 1.00 0.00 C ATOM 1342 CD1 ILE A 82 88.120 80.260 35.580 1.00 0.00 C ATOM 1343 OXT ILE A 82 90.200 79.690 41.130 1.00 0.00 O ATOM 0 H ILE A 82 87.238 79.908 39.371 1.00 0.00 H new ATOM 0 HA ILE A 82 89.002 77.823 38.821 1.00 0.00 H new ATOM 0 HB ILE A 82 89.335 80.657 37.996 1.00 0.00 H new ATOM 0 HG12 ILE A 82 88.080 78.318 36.480 1.00 0.00 H new ATOM 0 HG13 ILE A 82 87.148 79.527 37.341 1.00 0.00 H new ATOM 0 HG21 ILE A 82 90.592 79.652 36.042 1.00 0.00 H new ATOM 0 HG22 ILE A 82 91.395 79.317 37.595 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.432 78.050 36.800 1.00 0.00 H new ATOM 0 HD11 ILE A 82 87.260 80.050 34.944 1.00 0.00 H new ATOM 0 HD12 ILE A 82 88.091 81.303 35.896 1.00 0.00 H new ATOM 0 HD13 ILE A 82 89.038 80.075 35.022 1.00 0.00 H new