USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 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 25 TYR OH : rot 30:sc=0.000602 USER MOD Set 1.2: A 57 LYS NZ :NH3+ -137:sc= -0.118 (180deg=-2.32!) USER MOD Set 2.1: A 44 HIS : no HE2:sc= -0.452 K(o=-0.45,f=-1.7) USER MOD Set 2.2: A 47 MET CE :methyl 165:sc=-0.000999 (180deg=-0.236) 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= -1.88 X(o=-1.9,f=-2!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -28:sc= 0.0565 USER MOD Single : A 26 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.022) USER MOD Single : A 29 SER OG : rot -45:sc= 0.882 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 151:sc= -0.0523 USER MOD Single : A 41 THR OG1 : rot 57:sc= 1.13 USER MOD Single : A 42 ASN : amide:sc= -0.369 K(o=-0.37,f=-0.95) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= -1.44 (180deg=-1.55) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : +bothHN:sc= 0.354! C(o=0.35!,f=-9.4!) USER MOD Single : A 60 THR OG1 : rot 20:sc= 0.623 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 146:sc= 0.179 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 148:sc= 0.102 (180deg=0.00617) USER MOD Single : A 77 TYR OH : rot 165:sc= -1.38! USER MOD Single : A 80 HIS : no HE2:sc= -8.89! C(o=-8.9!,f=-9!) USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 79.630 65.660 36.780 1.00 0.00 N ATOM 49 CA LYS A 4 79.970 67.000 36.420 1.00 0.00 C ATOM 50 C LYS A 4 78.740 67.600 35.730 1.00 0.00 C ATOM 51 O LYS A 4 78.810 68.700 35.210 1.00 0.00 O ATOM 52 CB LYS A 4 81.200 67.080 35.510 1.00 0.00 C ATOM 53 CG LYS A 4 82.470 66.650 36.230 1.00 0.00 C ATOM 54 CD LYS A 4 83.680 66.740 35.290 1.00 0.00 C ATOM 55 CE LYS A 4 84.960 66.320 36.020 1.00 0.00 C ATOM 56 NZ LYS A 4 86.120 66.420 35.100 1.00 0.00 N ATOM 0 HA LYS A 4 80.239 67.559 37.316 1.00 0.00 H new ATOM 0 HB2 LYS A 4 81.046 66.447 34.636 1.00 0.00 H new ATOM 0 HB3 LYS A 4 81.317 68.101 35.147 1.00 0.00 H new ATOM 0 HG2 LYS A 4 82.632 67.283 37.102 1.00 0.00 H new ATOM 0 HG3 LYS A 4 82.360 65.628 36.594 1.00 0.00 H new ATOM 0 HD2 LYS A 4 83.522 66.099 34.423 1.00 0.00 H new ATOM 0 HD3 LYS A 4 83.784 67.759 34.919 1.00 0.00 H new ATOM 0 HE2 LYS A 4 85.119 66.957 36.890 1.00 0.00 H new ATOM 0 HE3 LYS A 4 84.862 65.298 36.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 86.986 66.134 35.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 85.970 65.795 34.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 86.219 67.402 34.771 1.00 0.00 H new ATOM 70 N LEU A 5 77.610 66.910 35.650 1.00 0.00 N ATOM 71 CA LEU A 5 76.550 67.500 34.880 1.00 0.00 C ATOM 72 C LEU A 5 75.330 67.660 35.710 1.00 0.00 C ATOM 73 O LEU A 5 75.140 66.960 36.700 1.00 0.00 O ATOM 74 CB LEU A 5 76.260 66.680 33.620 1.00 0.00 C ATOM 75 CG LEU A 5 75.690 65.300 33.940 1.00 0.00 C ATOM 76 CD1 LEU A 5 74.350 65.410 34.640 1.00 0.00 C ATOM 77 CD2 LEU A 5 75.460 64.510 32.650 1.00 0.00 C ATOM 0 H LEU A 5 77.419 66.005 36.079 1.00 0.00 H new ATOM 0 HA LEU A 5 76.873 68.490 34.559 1.00 0.00 H new ATOM 0 HB2 LEU A 5 75.556 67.224 32.991 1.00 0.00 H new ATOM 0 HB3 LEU A 5 77.179 66.566 33.045 1.00 0.00 H new ATOM 0 HG LEU A 5 76.411 64.798 34.585 1.00 0.00 H new ATOM 0 HD11 LEU A 5 73.969 64.412 34.855 1.00 0.00 H new ATOM 0 HD12 LEU A 5 74.471 65.961 35.573 1.00 0.00 H new ATOM 0 HD13 LEU A 5 73.645 65.936 33.996 1.00 0.00 H new ATOM 0 HD21 LEU A 5 75.054 63.528 32.892 1.00 0.00 H new ATOM 0 HD22 LEU A 5 74.756 65.048 32.015 1.00 0.00 H new ATOM 0 HD23 LEU A 5 76.406 64.391 32.123 1.00 0.00 H new ATOM 89 N VAL A 6 74.540 68.600 35.260 1.00 0.00 N ATOM 90 CA VAL A 6 73.220 68.840 35.860 1.00 0.00 C ATOM 91 C VAL A 6 72.150 68.670 34.760 1.00 0.00 C ATOM 92 O VAL A 6 72.400 68.990 33.600 1.00 0.00 O ATOM 93 CB VAL A 6 73.110 70.240 36.500 1.00 0.00 C ATOM 94 CG1 VAL A 6 71.720 70.450 37.100 1.00 0.00 C ATOM 95 CG2 VAL A 6 74.150 70.410 37.610 1.00 0.00 C ATOM 0 H VAL A 6 74.772 69.219 34.483 1.00 0.00 H new ATOM 0 HA VAL A 6 73.068 68.119 36.663 1.00 0.00 H new ATOM 0 HB VAL A 6 73.287 70.975 35.715 1.00 0.00 H new ATOM 0 HG11 VAL A 6 71.663 71.443 37.546 1.00 0.00 H new ATOM 0 HG12 VAL A 6 70.968 70.361 36.316 1.00 0.00 H new ATOM 0 HG13 VAL A 6 71.537 69.697 37.866 1.00 0.00 H new ATOM 0 HG21 VAL A 6 74.055 71.404 38.048 1.00 0.00 H new ATOM 0 HG22 VAL A 6 73.986 69.657 38.381 1.00 0.00 H new ATOM 0 HG23 VAL A 6 75.150 70.291 37.193 1.00 0.00 H new ATOM 105 N LEU A 7 70.950 68.180 35.060 1.00 0.00 N ATOM 106 CA LEU A 7 69.870 68.020 34.090 1.00 0.00 C ATOM 107 C LEU A 7 68.740 68.950 34.560 1.00 0.00 C ATOM 108 O LEU A 7 68.400 68.980 35.730 1.00 0.00 O ATOM 109 CB LEU A 7 69.350 66.570 33.990 1.00 0.00 C ATOM 110 CG LEU A 7 70.410 65.590 33.490 1.00 0.00 C ATOM 111 CD1 LEU A 7 69.860 64.160 33.520 1.00 0.00 C ATOM 112 CD2 LEU A 7 70.810 65.920 32.050 1.00 0.00 C ATOM 0 H LEU A 7 70.696 67.878 36.001 1.00 0.00 H new ATOM 0 HA LEU A 7 70.236 68.267 33.094 1.00 0.00 H new ATOM 0 HB2 LEU A 7 68.998 66.247 34.970 1.00 0.00 H new ATOM 0 HB3 LEU A 7 68.492 66.543 33.318 1.00 0.00 H new ATOM 0 HG LEU A 7 71.279 65.674 34.142 1.00 0.00 H new ATOM 0 HD11 LEU A 7 70.623 63.469 33.162 1.00 0.00 H new ATOM 0 HD12 LEU A 7 69.584 63.898 34.541 1.00 0.00 H new ATOM 0 HD13 LEU A 7 68.981 64.095 32.878 1.00 0.00 H new ATOM 0 HD21 LEU A 7 71.566 65.212 31.711 1.00 0.00 H new ATOM 0 HD22 LEU A 7 69.934 65.853 31.405 1.00 0.00 H new ATOM 0 HD23 LEU A 7 71.215 66.931 32.008 1.00 0.00 H new ATOM 124 N ALA A 8 68.140 69.700 33.670 1.00 0.00 N ATOM 125 CA ALA A 8 66.900 70.370 33.740 1.00 0.00 C ATOM 126 C ALA A 8 65.850 69.340 34.040 1.00 0.00 C ATOM 127 O ALA A 8 65.920 68.220 33.510 1.00 0.00 O ATOM 128 CB ALA A 8 66.590 71.100 32.440 1.00 0.00 C ATOM 0 H ALA A 8 68.584 69.865 32.767 1.00 0.00 H new ATOM 0 HA ALA A 8 66.927 71.128 34.523 1.00 0.00 H new ATOM 0 HB1 ALA A 8 65.628 71.606 32.527 1.00 0.00 H new ATOM 0 HB2 ALA A 8 67.370 71.835 32.241 1.00 0.00 H new ATOM 0 HB3 ALA A 8 66.550 70.382 31.620 1.00 0.00 H new ATOM 134 N LYS A 9 64.870 69.810 34.860 1.00 0.00 N ATOM 135 CA LYS A 9 63.600 69.170 35.070 1.00 0.00 C ATOM 136 C LYS A 9 62.780 69.090 33.740 1.00 0.00 C ATOM 137 O LYS A 9 62.190 68.040 33.470 1.00 0.00 O ATOM 138 CB LYS A 9 62.830 69.880 36.170 1.00 0.00 C ATOM 139 CG LYS A 9 61.500 69.210 36.460 1.00 0.00 C ATOM 140 CD LYS A 9 60.730 69.960 37.550 1.00 0.00 C ATOM 141 CE LYS A 9 59.400 69.260 37.850 1.00 0.00 C ATOM 142 NZ LYS A 9 58.680 69.980 38.920 1.00 0.00 N ATOM 0 H LYS A 9 64.974 70.672 35.396 1.00 0.00 H new ATOM 0 HA LYS A 9 63.776 68.144 35.394 1.00 0.00 H new ATOM 0 HB2 LYS A 9 63.432 69.899 37.079 1.00 0.00 H new ATOM 0 HB3 LYS A 9 62.658 70.917 35.880 1.00 0.00 H new ATOM 0 HG2 LYS A 9 60.902 69.172 35.549 1.00 0.00 H new ATOM 0 HG3 LYS A 9 61.669 68.180 36.773 1.00 0.00 H new ATOM 0 HD2 LYS A 9 61.332 70.013 38.457 1.00 0.00 H new ATOM 0 HD3 LYS A 9 60.544 70.985 37.231 1.00 0.00 H new ATOM 0 HE2 LYS A 9 58.788 69.224 36.949 1.00 0.00 H new ATOM 0 HE3 LYS A 9 59.583 68.229 38.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 57.779 69.499 39.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 59.262 69.993 39.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 58.491 70.956 38.615 1.00 0.00 H new ATOM 156 N ASN A 10 62.660 70.180 32.900 1.00 0.00 N ATOM 157 CA ASN A 10 61.290 70.420 32.340 1.00 0.00 C ATOM 158 C ASN A 10 60.910 69.220 31.440 1.00 0.00 C ATOM 159 O ASN A 10 59.780 68.720 31.530 1.00 0.00 O ATOM 160 CB ASN A 10 61.190 71.730 31.540 1.00 0.00 C ATOM 161 CG ASN A 10 61.220 72.950 32.460 1.00 0.00 C ATOM 162 OD1 ASN A 10 60.840 72.880 33.620 1.00 0.00 O ATOM 163 ND2 ASN A 10 61.630 74.090 31.940 1.00 0.00 N ATOM 0 H ASN A 10 63.398 70.829 32.626 1.00 0.00 H new ATOM 0 HA ASN A 10 60.597 70.516 33.176 1.00 0.00 H new ATOM 0 HB2 ASN A 10 62.015 71.788 30.830 1.00 0.00 H new ATOM 0 HB3 ASN A 10 60.268 71.733 30.959 1.00 0.00 H new ATOM 0 HD21 ASN A 10 61.635 74.937 32.508 1.00 0.00 H new ATOM 0 HD22 ASN A 10 61.943 74.125 30.970 1.00 0.00 H new ATOM 170 N THR A 11 61.870 68.760 30.600 1.00 0.00 N ATOM 171 CA THR A 11 61.600 67.620 29.690 1.00 0.00 C ATOM 172 C THR A 11 61.280 66.310 30.370 1.00 0.00 C ATOM 173 O THR A 11 60.390 65.590 29.920 1.00 0.00 O ATOM 174 CB THR A 11 62.800 67.420 28.760 1.00 0.00 C ATOM 175 OG1 THR A 11 63.970 67.200 29.530 1.00 0.00 O ATOM 176 CG2 THR A 11 63.010 68.660 27.880 1.00 0.00 C ATOM 0 H THR A 11 62.811 69.147 30.533 1.00 0.00 H new ATOM 0 HA THR A 11 60.698 67.895 29.144 1.00 0.00 H new ATOM 0 HB THR A 11 62.603 66.557 28.124 1.00 0.00 H new ATOM 0 HG1 THR A 11 64.736 67.071 28.932 1.00 0.00 H new ATOM 0 HG21 THR A 11 63.867 68.501 27.225 1.00 0.00 H new ATOM 0 HG22 THR A 11 62.119 68.833 27.276 1.00 0.00 H new ATOM 0 HG23 THR A 11 63.193 69.528 28.513 1.00 0.00 H new ATOM 285 N SER A 18 66.760 70.830 41.470 1.00 0.00 N ATOM 286 CA SER A 18 67.310 70.840 42.780 1.00 0.00 C ATOM 287 C SER A 18 68.760 70.460 42.710 1.00 0.00 C ATOM 288 O SER A 18 69.540 70.970 43.530 1.00 0.00 O ATOM 289 CB SER A 18 66.560 69.870 43.680 1.00 0.00 C ATOM 290 OG SER A 18 66.680 68.550 43.190 1.00 0.00 O ATOM 0 HA SER A 18 67.214 71.841 43.200 1.00 0.00 H new ATOM 0 HB2 SER A 18 66.955 69.925 44.694 1.00 0.00 H new ATOM 0 HB3 SER A 18 65.508 70.151 43.732 1.00 0.00 H new ATOM 0 HG SER A 18 66.802 68.572 42.218 1.00 0.00 H new ATOM 296 N VAL A 19 69.080 69.590 41.700 1.00 0.00 N ATOM 297 CA VAL A 19 70.470 69.200 41.530 1.00 0.00 C ATOM 298 C VAL A 19 71.440 70.300 41.290 1.00 0.00 C ATOM 299 O VAL A 19 72.480 70.360 41.910 1.00 0.00 O ATOM 300 CB VAL A 19 70.570 68.160 40.420 1.00 0.00 C ATOM 301 CG1 VAL A 19 72.010 67.790 40.130 1.00 0.00 C ATOM 302 CG2 VAL A 19 69.810 66.900 40.820 1.00 0.00 C ATOM 0 H VAL A 19 68.419 69.180 41.040 1.00 0.00 H new ATOM 0 HA VAL A 19 70.767 68.792 42.496 1.00 0.00 H new ATOM 0 HB VAL A 19 70.135 68.597 39.521 1.00 0.00 H new ATOM 0 HG11 VAL A 19 72.041 67.047 39.334 1.00 0.00 H new ATOM 0 HG12 VAL A 19 72.558 68.679 39.818 1.00 0.00 H new ATOM 0 HG13 VAL A 19 72.468 67.378 41.029 1.00 0.00 H new ATOM 0 HG21 VAL A 19 69.885 66.161 40.022 1.00 0.00 H new ATOM 0 HG22 VAL A 19 70.239 66.491 41.735 1.00 0.00 H new ATOM 0 HG23 VAL A 19 68.762 67.146 40.989 1.00 0.00 H new ATOM 312 N GLU A 20 71.070 71.160 40.390 1.00 0.00 N ATOM 313 CA GLU A 20 71.950 72.300 40.090 1.00 0.00 C ATOM 314 C GLU A 20 72.180 73.200 41.340 1.00 0.00 C ATOM 315 O GLU A 20 73.170 73.470 41.750 1.00 0.00 O ATOM 316 CB GLU A 20 71.360 73.130 38.950 1.00 0.00 C ATOM 317 CG GLU A 20 70.100 73.870 39.380 1.00 0.00 C ATOM 318 CD GLU A 20 69.500 74.670 38.250 1.00 0.00 C ATOM 319 OE1 GLU A 20 70.090 74.670 37.160 1.00 0.00 O ATOM 320 OE2 GLU A 20 68.440 75.300 38.470 1.00 0.00 O ATOM 0 H GLU A 20 70.202 71.119 39.856 1.00 0.00 H new ATOM 0 HA GLU A 20 72.918 71.900 39.788 1.00 0.00 H new ATOM 0 HB2 GLU A 20 72.102 73.848 38.602 1.00 0.00 H new ATOM 0 HB3 GLU A 20 71.129 72.478 38.108 1.00 0.00 H new ATOM 0 HG2 GLU A 20 69.366 73.153 39.746 1.00 0.00 H new ATOM 0 HG3 GLU A 20 70.336 74.536 40.210 1.00 0.00 H new ATOM 327 N LEU A 21 71.180 73.570 42.100 1.00 0.00 N ATOM 328 CA LEU A 21 71.320 74.490 43.260 1.00 0.00 C ATOM 329 C LEU A 21 72.210 73.810 44.290 1.00 0.00 C ATOM 330 O LEU A 21 73.100 74.420 44.860 1.00 0.00 O ATOM 331 CB LEU A 21 69.960 74.840 43.880 1.00 0.00 C ATOM 332 CG LEU A 21 69.040 75.620 42.930 1.00 0.00 C ATOM 333 CD1 LEU A 21 67.680 75.850 43.570 1.00 0.00 C ATOM 334 CD2 LEU A 21 69.660 76.980 42.600 1.00 0.00 C ATOM 0 H LEU A 21 70.223 73.251 41.950 1.00 0.00 H new ATOM 0 HA LEU A 21 71.762 75.428 42.923 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.460 73.920 44.184 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.121 75.429 44.783 1.00 0.00 H new ATOM 0 HG LEU A 21 68.919 75.033 42.020 1.00 0.00 H new ATOM 0 HD11 LEU A 21 67.043 76.404 42.881 1.00 0.00 H new ATOM 0 HD12 LEU A 21 67.218 74.889 43.798 1.00 0.00 H new ATOM 0 HD13 LEU A 21 67.803 76.421 44.490 1.00 0.00 H new ATOM 0 HD21 LEU A 21 69.001 77.526 41.926 1.00 0.00 H new ATOM 0 HD22 LEU A 21 69.794 77.551 43.519 1.00 0.00 H new ATOM 0 HD23 LEU A 21 70.628 76.832 42.120 1.00 0.00 H new ATOM 346 N GLU A 22 71.960 72.550 44.520 1.00 0.00 N ATOM 347 CA GLU A 22 72.700 71.860 45.580 1.00 0.00 C ATOM 348 C GLU A 22 74.070 71.490 45.120 1.00 0.00 C ATOM 349 O GLU A 22 75.020 71.540 45.900 1.00 0.00 O ATOM 350 CB GLU A 22 71.950 70.610 46.030 1.00 0.00 C ATOM 351 CG GLU A 22 70.640 70.950 46.730 1.00 0.00 C ATOM 352 CD GLU A 22 69.930 69.710 47.230 1.00 0.00 C ATOM 353 OE1 GLU A 22 70.470 68.610 47.030 1.00 0.00 O ATOM 354 OE2 GLU A 22 68.830 69.860 47.800 1.00 0.00 O ATOM 0 H GLU A 22 71.278 71.983 44.017 1.00 0.00 H new ATOM 0 HA GLU A 22 72.790 72.544 46.424 1.00 0.00 H new ATOM 0 HB2 GLU A 22 71.745 69.979 45.165 1.00 0.00 H new ATOM 0 HB3 GLU A 22 72.582 70.032 46.704 1.00 0.00 H new ATOM 0 HG2 GLU A 22 70.839 71.618 47.568 1.00 0.00 H new ATOM 0 HG3 GLU A 22 69.989 71.488 46.041 1.00 0.00 H new ATOM 361 N ASP A 23 74.250 71.170 43.860 1.00 0.00 N ATOM 362 CA ASP A 23 75.600 70.900 43.340 1.00 0.00 C ATOM 363 C ASP A 23 76.400 72.120 43.450 1.00 0.00 C ATOM 364 O ASP A 23 77.560 72.080 43.800 1.00 0.00 O ATOM 365 CB ASP A 23 75.590 70.430 41.880 1.00 0.00 C ATOM 366 CG ASP A 23 75.060 69.010 41.880 1.00 0.00 C ATOM 367 OD1 ASP A 23 74.930 68.490 43.080 1.00 0.00 O ATOM 368 OD2 ASP A 23 74.820 68.730 40.680 1.00 0.00 O ATOM 0 H ASP A 23 73.501 71.087 43.173 1.00 0.00 H new ATOM 0 HA ASP A 23 76.028 70.093 43.934 1.00 0.00 H new ATOM 0 HB2 ASP A 23 74.960 71.078 41.270 1.00 0.00 H new ATOM 0 HB3 ASP A 23 76.593 70.468 41.455 1.00 0.00 H new ATOM 373 N LEU A 24 75.880 73.280 43.280 1.00 0.00 N ATOM 374 CA LEU A 24 76.680 74.500 43.350 1.00 0.00 C ATOM 375 C LEU A 24 77.190 74.650 44.750 1.00 0.00 C ATOM 376 O LEU A 24 78.370 74.940 44.920 1.00 0.00 O ATOM 377 CB LEU A 24 75.860 75.730 42.970 1.00 0.00 C ATOM 378 CG LEU A 24 75.680 75.880 41.460 1.00 0.00 C ATOM 379 CD1 LEU A 24 75.050 74.690 40.850 1.00 0.00 C ATOM 380 CD2 LEU A 24 74.820 77.110 41.140 1.00 0.00 C ATOM 0 H LEU A 24 74.891 73.437 43.087 1.00 0.00 H new ATOM 0 HA LEU A 24 77.505 74.422 42.643 1.00 0.00 H new ATOM 0 HB2 LEU A 24 74.880 75.668 43.443 1.00 0.00 H new ATOM 0 HB3 LEU A 24 76.348 76.622 43.363 1.00 0.00 H new ATOM 0 HG LEU A 24 76.678 75.997 41.038 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.943 74.845 39.776 1.00 0.00 H new ATOM 0 HD12 LEU A 24 75.675 73.815 41.030 1.00 0.00 H new ATOM 0 HD13 LEU A 24 74.067 74.531 41.293 1.00 0.00 H new ATOM 0 HD21 LEU A 24 74.703 77.201 40.060 1.00 0.00 H new ATOM 0 HD22 LEU A 24 73.840 76.999 41.604 1.00 0.00 H new ATOM 0 HD23 LEU A 24 75.306 78.005 41.529 1.00 0.00 H new ATOM 392 N TYR A 25 76.330 74.460 45.800 1.00 0.00 N ATOM 393 CA TYR A 25 76.790 74.590 47.210 1.00 0.00 C ATOM 394 C TYR A 25 77.900 73.550 47.320 1.00 0.00 C ATOM 395 O TYR A 25 79.020 73.850 47.770 1.00 0.00 O ATOM 396 CB TYR A 25 75.710 74.310 48.280 1.00 0.00 C ATOM 397 CG TYR A 25 74.720 75.450 48.430 1.00 0.00 C ATOM 398 CD1 TYR A 25 74.960 76.510 49.300 1.00 0.00 C ATOM 399 CD2 TYR A 25 73.540 75.460 47.690 1.00 0.00 C ATOM 400 CE1 TYR A 25 74.080 77.560 49.440 1.00 0.00 C ATOM 401 CE2 TYR A 25 72.640 76.510 47.810 1.00 0.00 C ATOM 402 CZ TYR A 25 72.900 77.550 48.690 1.00 0.00 C ATOM 403 OH TYR A 25 71.970 78.450 48.780 1.00 0.00 O ATOM 0 H TYR A 25 75.343 74.223 45.696 1.00 0.00 H new ATOM 0 HA TYR A 25 77.093 75.618 47.408 1.00 0.00 H new ATOM 0 HB2 TYR A 25 75.171 73.400 48.016 1.00 0.00 H new ATOM 0 HB3 TYR A 25 76.194 74.127 49.239 1.00 0.00 H new ATOM 0 HD1 TYR A 25 75.868 76.509 49.885 1.00 0.00 H new ATOM 0 HD2 TYR A 25 73.323 74.644 47.017 1.00 0.00 H new ATOM 0 HE1 TYR A 25 74.297 78.374 50.115 1.00 0.00 H new ATOM 0 HE2 TYR A 25 71.737 76.517 47.218 1.00 0.00 H new ATOM 0 HH TYR A 25 72.369 79.309 49.031 1.00 0.00 H new ATOM 413 N HIS A 26 77.560 72.320 46.890 1.00 0.00 N ATOM 414 CA HIS A 26 78.370 71.200 47.380 1.00 0.00 C ATOM 415 C HIS A 26 79.730 71.090 46.740 1.00 0.00 C ATOM 416 O HIS A 26 80.710 70.880 47.440 1.00 0.00 O ATOM 417 CB HIS A 26 77.620 69.900 47.190 1.00 0.00 C ATOM 418 CG HIS A 26 76.370 69.810 48.020 1.00 0.00 C ATOM 419 ND1 HIS A 26 75.470 68.770 47.930 1.00 0.00 N ATOM 420 CD2 HIS A 26 75.890 70.670 48.970 1.00 0.00 C ATOM 421 CE1 HIS A 26 74.500 68.980 48.800 1.00 0.00 C ATOM 422 NE2 HIS A 26 74.780 70.110 49.490 1.00 0.00 N ATOM 0 H HIS A 26 76.794 72.090 46.257 1.00 0.00 H new ATOM 0 HA HIS A 26 78.544 71.401 48.437 1.00 0.00 H new ATOM 0 HB2 HIS A 26 77.358 69.790 46.138 1.00 0.00 H new ATOM 0 HB3 HIS A 26 78.277 69.068 47.444 1.00 0.00 H new ATOM 0 HD2 HIS A 26 76.320 71.620 49.251 1.00 0.00 H new ATOM 0 HE1 HIS A 26 73.630 68.355 48.938 1.00 0.00 H new ATOM 0 HE2 HIS A 26 74.240 70.477 50.274 1.00 0.00 H new ATOM 430 N GLU A 27 79.730 71.260 45.430 1.00 0.00 N ATOM 431 CA GLU A 27 80.830 71.070 44.550 1.00 0.00 C ATOM 432 C GLU A 27 81.840 72.100 44.940 1.00 0.00 C ATOM 433 O GLU A 27 82.980 71.760 45.070 1.00 0.00 O ATOM 434 CB GLU A 27 80.440 71.240 43.100 1.00 0.00 C ATOM 435 CG GLU A 27 79.520 70.120 42.610 1.00 0.00 C ATOM 436 CD GLU A 27 79.180 70.280 41.140 1.00 0.00 C ATOM 437 OE1 GLU A 27 78.770 71.380 40.750 1.00 0.00 O ATOM 438 OE2 GLU A 27 79.340 69.290 40.390 1.00 0.00 O ATOM 0 H GLU A 27 78.890 71.557 44.933 1.00 0.00 H new ATOM 0 HA GLU A 27 81.217 70.055 44.636 1.00 0.00 H new ATOM 0 HB2 GLU A 27 79.940 72.200 42.971 1.00 0.00 H new ATOM 0 HB3 GLU A 27 81.339 71.263 42.485 1.00 0.00 H new ATOM 0 HG2 GLU A 27 80.003 69.156 42.770 1.00 0.00 H new ATOM 0 HG3 GLU A 27 78.602 70.118 43.198 1.00 0.00 H new ATOM 445 N PHE A 28 81.420 73.350 45.160 1.00 0.00 N ATOM 446 CA PHE A 28 82.270 74.430 45.590 1.00 0.00 C ATOM 447 C PHE A 28 83.030 74.050 46.820 1.00 0.00 C ATOM 448 O PHE A 28 84.320 74.280 46.840 1.00 0.00 O ATOM 449 CB PHE A 28 81.410 75.680 45.720 1.00 0.00 C ATOM 450 CG PHE A 28 82.160 76.850 46.330 1.00 0.00 C ATOM 451 CD1 PHE A 28 83.210 76.680 47.200 1.00 0.00 C ATOM 452 CD2 PHE A 28 81.800 78.160 46.020 1.00 0.00 C ATOM 453 CE1 PHE A 28 83.920 77.700 47.770 1.00 0.00 C ATOM 454 CE2 PHE A 28 82.490 79.230 46.580 1.00 0.00 C ATOM 455 CZ PHE A 28 83.550 79.000 47.450 1.00 0.00 C ATOM 0 H PHE A 28 80.447 73.631 45.036 1.00 0.00 H new ATOM 0 HA PHE A 28 83.047 74.650 44.858 1.00 0.00 H new ATOM 0 HB2 PHE A 28 81.041 75.965 44.735 1.00 0.00 H new ATOM 0 HB3 PHE A 28 80.538 75.453 46.334 1.00 0.00 H new ATOM 0 HD1 PHE A 28 83.495 75.669 47.451 1.00 0.00 H new ATOM 0 HD2 PHE A 28 80.981 78.345 45.341 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.739 77.502 48.445 1.00 0.00 H new ATOM 0 HE2 PHE A 28 82.202 80.242 46.338 1.00 0.00 H new ATOM 0 HZ PHE A 28 84.087 79.834 47.878 1.00 0.00 H new ATOM 465 N SER A 29 82.250 73.760 47.890 1.00 0.00 N ATOM 466 CA SER A 29 82.750 73.470 49.210 1.00 0.00 C ATOM 467 C SER A 29 83.680 72.310 49.200 1.00 0.00 C ATOM 468 O SER A 29 84.750 72.380 49.820 1.00 0.00 O ATOM 469 CB SER A 29 81.570 73.200 50.150 1.00 0.00 C ATOM 470 OG SER A 29 80.870 72.050 49.750 1.00 0.00 O ATOM 0 H SER A 29 81.232 73.726 47.832 1.00 0.00 H new ATOM 0 HA SER A 29 83.312 74.334 49.564 1.00 0.00 H new ATOM 0 HB2 SER A 29 81.933 73.075 51.170 1.00 0.00 H new ATOM 0 HB3 SER A 29 80.898 74.058 50.154 1.00 0.00 H new ATOM 0 HG SER A 29 80.730 72.073 48.780 1.00 0.00 H new ATOM 476 N GLU A 30 83.240 71.260 48.490 1.00 0.00 N ATOM 477 CA GLU A 30 83.990 70.000 48.520 1.00 0.00 C ATOM 478 C GLU A 30 85.160 70.030 47.610 1.00 0.00 C ATOM 479 O GLU A 30 86.310 69.700 47.990 1.00 0.00 O ATOM 480 CB GLU A 30 83.070 68.830 48.150 1.00 0.00 C ATOM 481 CG GLU A 30 82.020 68.610 49.230 1.00 0.00 C ATOM 482 CD GLU A 30 81.010 67.550 48.810 1.00 0.00 C ATOM 483 OE1 GLU A 30 81.170 67.000 47.700 1.00 0.00 O ATOM 484 OE2 GLU A 30 80.100 67.250 49.600 1.00 0.00 O ATOM 0 H GLU A 30 82.401 71.256 47.910 1.00 0.00 H new ATOM 0 HA GLU A 30 84.363 69.865 49.535 1.00 0.00 H new ATOM 0 HB2 GLU A 30 82.582 69.032 47.197 1.00 0.00 H new ATOM 0 HB3 GLU A 30 83.661 67.923 48.020 1.00 0.00 H new ATOM 0 HG2 GLU A 30 82.506 68.305 50.157 1.00 0.00 H new ATOM 0 HG3 GLU A 30 81.503 69.548 49.434 1.00 0.00 H new ATOM 491 N ASP A 31 84.970 70.600 46.430 1.00 0.00 N ATOM 492 CA ASP A 31 86.020 70.510 45.400 1.00 0.00 C ATOM 493 C ASP A 31 86.030 71.770 44.500 1.00 0.00 C ATOM 494 O ASP A 31 85.150 72.610 44.550 1.00 0.00 O ATOM 495 CB ASP A 31 85.840 69.230 44.540 1.00 0.00 C ATOM 496 CG ASP A 31 84.540 69.220 43.750 1.00 0.00 C ATOM 497 OD1 ASP A 31 84.350 70.370 43.190 1.00 0.00 O ATOM 498 OD2 ASP A 31 83.940 68.040 43.820 1.00 0.00 O ATOM 0 H ASP A 31 84.133 71.115 46.157 1.00 0.00 H new ATOM 0 HA ASP A 31 86.981 70.451 45.910 1.00 0.00 H new ATOM 0 HB2 ASP A 31 86.679 69.143 43.849 1.00 0.00 H new ATOM 0 HB3 ASP A 31 85.870 68.356 45.190 1.00 0.00 H new ATOM 503 N LYS A 32 87.050 71.900 43.630 1.00 0.00 N ATOM 504 CA LYS A 32 87.010 72.990 42.620 1.00 0.00 C ATOM 505 C LYS A 32 87.030 72.640 41.120 1.00 0.00 C ATOM 506 O LYS A 32 87.980 72.050 40.660 1.00 0.00 O ATOM 507 CB LYS A 32 88.150 73.930 42.970 1.00 0.00 C ATOM 508 CG LYS A 32 87.970 74.530 44.360 1.00 0.00 C ATOM 509 CD LYS A 32 89.180 75.390 44.730 1.00 0.00 C ATOM 510 CE LYS A 32 89.020 75.990 46.080 1.00 0.00 C ATOM 511 NZ LYS A 32 90.210 76.810 46.460 1.00 0.00 N ATOM 0 H LYS A 32 87.875 71.301 43.598 1.00 0.00 H new ATOM 0 HA LYS A 32 86.012 73.421 42.701 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.096 73.390 42.925 1.00 0.00 H new ATOM 0 HB3 LYS A 32 88.204 74.730 42.231 1.00 0.00 H new ATOM 0 HG2 LYS A 32 87.064 75.135 44.387 1.00 0.00 H new ATOM 0 HG3 LYS A 32 87.844 73.734 45.093 1.00 0.00 H new ATOM 0 HD2 LYS A 32 90.084 74.781 44.705 1.00 0.00 H new ATOM 0 HD3 LYS A 32 89.307 76.181 43.991 1.00 0.00 H new ATOM 0 HE2 LYS A 32 88.126 76.614 46.098 1.00 0.00 H new ATOM 0 HE3 LYS A 32 88.872 75.199 46.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 90.065 77.214 47.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 91.058 76.209 46.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 90.336 77.579 45.771 1.00 0.00 H new ATOM 525 N ARG A 33 85.970 72.940 40.350 1.00 0.00 N ATOM 526 CA ARG A 33 85.490 71.940 39.350 1.00 0.00 C ATOM 527 C ARG A 33 84.570 72.640 38.410 1.00 0.00 C ATOM 528 O ARG A 33 84.180 73.750 38.660 1.00 0.00 O ATOM 529 CB ARG A 33 84.760 70.770 40.010 1.00 0.00 C ATOM 530 CG ARG A 33 83.450 71.200 40.670 1.00 0.00 C ATOM 531 CD ARG A 33 82.710 69.980 41.190 1.00 0.00 C ATOM 532 NE ARG A 33 82.410 69.030 40.130 1.00 0.00 N ATOM 533 CZ ARG A 33 81.940 67.820 40.370 1.00 0.00 C ATOM 534 NH1 ARG A 33 81.770 67.410 41.590 1.00 0.00 N ATOM 535 NH2 ARG A 33 81.700 67.000 39.370 1.00 0.00 N ATOM 0 H ARG A 33 85.446 73.814 40.385 1.00 0.00 H new ATOM 0 HA ARG A 33 86.351 71.524 38.827 1.00 0.00 H new ATOM 0 HB2 ARG A 33 84.553 70.005 39.261 1.00 0.00 H new ATOM 0 HB3 ARG A 33 85.409 70.316 40.759 1.00 0.00 H new ATOM 0 HG2 ARG A 33 83.654 71.889 41.489 1.00 0.00 H new ATOM 0 HG3 ARG A 33 82.829 71.734 39.951 1.00 0.00 H new ATOM 0 HD2 ARG A 33 83.312 69.490 41.956 1.00 0.00 H new ATOM 0 HD3 ARG A 33 81.782 70.295 41.667 1.00 0.00 H new ATOM 0 HE ARG A 33 82.569 69.310 39.162 1.00 0.00 H new ATOM 0 HH11 ARG A 33 82.000 68.024 42.371 1.00 0.00 H new ATOM 0 HH12 ARG A 33 81.406 66.474 41.767 1.00 0.00 H new ATOM 0 HH21 ARG A 33 81.877 67.299 38.411 1.00 0.00 H new ATOM 0 HH22 ARG A 33 81.337 66.065 39.553 1.00 0.00 H new ATOM 549 N SER A 34 84.190 72.080 37.330 1.00 0.00 N ATOM 550 CA SER A 34 83.340 72.680 36.360 1.00 0.00 C ATOM 551 C SER A 34 82.220 71.680 36.130 1.00 0.00 C ATOM 552 O SER A 34 82.390 70.480 36.430 1.00 0.00 O ATOM 553 CB SER A 34 84.080 72.960 35.060 1.00 0.00 C ATOM 554 OG SER A 34 84.480 71.760 34.450 1.00 0.00 O ATOM 0 H SER A 34 84.476 71.134 37.076 1.00 0.00 H new ATOM 0 HA SER A 34 82.968 73.643 36.708 1.00 0.00 H new ATOM 0 HB2 SER A 34 83.436 73.521 34.383 1.00 0.00 H new ATOM 0 HB3 SER A 34 84.953 73.582 35.259 1.00 0.00 H new ATOM 0 HG SER A 34 84.953 71.959 33.615 1.00 0.00 H new ATOM 560 N ILE A 35 81.110 72.140 35.570 1.00 0.00 N ATOM 561 CA ILE A 35 79.940 71.390 35.180 1.00 0.00 C ATOM 562 C ILE A 35 79.450 71.740 33.800 1.00 0.00 C ATOM 563 O ILE A 35 79.770 72.800 33.270 1.00 0.00 O ATOM 564 CB ILE A 35 78.820 71.580 36.210 1.00 0.00 C ATOM 565 CG1 ILE A 35 78.300 73.010 36.170 1.00 0.00 C ATOM 566 CG2 ILE A 35 79.350 71.290 37.620 1.00 0.00 C ATOM 567 CD1 ILE A 35 77.030 73.170 37.000 1.00 0.00 C ATOM 0 H ILE A 35 81.003 73.133 35.362 1.00 0.00 H new ATOM 0 HA ILE A 35 80.234 70.341 35.150 1.00 0.00 H new ATOM 0 HB ILE A 35 78.012 70.890 35.967 1.00 0.00 H new ATOM 0 HG12 ILE A 35 79.068 73.687 36.544 1.00 0.00 H new ATOM 0 HG13 ILE A 35 78.099 73.296 35.138 1.00 0.00 H new ATOM 0 HG21 ILE A 35 78.548 71.427 38.345 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.711 70.263 37.669 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.168 71.974 37.849 1.00 0.00 H new ATOM 0 HD11 ILE A 35 76.689 74.204 36.947 1.00 0.00 H new ATOM 0 HD12 ILE A 35 76.254 72.511 36.609 1.00 0.00 H new ATOM 0 HD13 ILE A 35 77.238 72.909 38.038 1.00 0.00 H new ATOM 579 N PHE A 36 78.670 70.830 33.250 1.00 0.00 N ATOM 580 CA PHE A 36 77.850 70.910 32.080 1.00 0.00 C ATOM 581 C PHE A 36 76.450 70.950 32.560 1.00 0.00 C ATOM 582 O PHE A 36 76.000 70.010 33.180 1.00 0.00 O ATOM 583 CB PHE A 36 78.040 69.700 31.170 1.00 0.00 C ATOM 584 CG PHE A 36 79.470 69.570 30.680 1.00 0.00 C ATOM 585 CD1 PHE A 36 80.120 70.690 30.150 1.00 0.00 C ATOM 586 CD2 PHE A 36 80.130 68.340 30.770 1.00 0.00 C ATOM 587 CE1 PHE A 36 81.420 70.580 29.770 1.00 0.00 C ATOM 588 CE2 PHE A 36 81.440 68.220 30.340 1.00 0.00 C ATOM 589 CZ PHE A 36 82.090 69.320 29.950 1.00 0.00 C ATOM 0 H PHE A 36 78.595 69.906 33.675 1.00 0.00 H new ATOM 0 HA PHE A 36 78.116 71.791 31.495 1.00 0.00 H new ATOM 0 HB2 PHE A 36 77.759 68.795 31.708 1.00 0.00 H new ATOM 0 HB3 PHE A 36 77.371 69.783 30.314 1.00 0.00 H new ATOM 0 HD1 PHE A 36 79.596 71.628 30.044 1.00 0.00 H new ATOM 0 HD2 PHE A 36 79.616 67.481 31.176 1.00 0.00 H new ATOM 0 HE1 PHE A 36 81.941 71.423 29.341 1.00 0.00 H new ATOM 0 HE2 PHE A 36 81.927 67.256 30.320 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.152 69.261 29.764 1.00 0.00 H new ATOM 599 N TYR A 37 75.700 72.000 32.300 1.00 0.00 N ATOM 600 CA TYR A 37 74.280 72.060 32.630 1.00 0.00 C ATOM 601 C TYR A 37 73.550 71.690 31.290 1.00 0.00 C ATOM 602 O TYR A 37 73.790 72.290 30.250 1.00 0.00 O ATOM 603 CB TYR A 37 73.810 73.450 33.130 1.00 0.00 C ATOM 604 CG TYR A 37 72.360 73.450 33.560 1.00 0.00 C ATOM 605 CD1 TYR A 37 71.800 72.310 34.140 1.00 0.00 C ATOM 606 CD2 TYR A 37 71.570 74.590 33.370 1.00 0.00 C ATOM 607 CE1 TYR A 37 70.460 72.300 34.530 1.00 0.00 C ATOM 608 CE2 TYR A 37 70.230 74.580 33.760 1.00 0.00 C ATOM 609 CZ TYR A 37 69.670 73.440 34.350 1.00 0.00 C ATOM 610 OH TYR A 37 68.360 73.440 34.720 1.00 0.00 O ATOM 0 H TYR A 37 76.055 72.844 31.851 1.00 0.00 H new ATOM 0 HA TYR A 37 74.056 71.384 33.455 1.00 0.00 H new ATOM 0 HB2 TYR A 37 74.434 73.762 33.968 1.00 0.00 H new ATOM 0 HB3 TYR A 37 73.951 74.185 32.337 1.00 0.00 H new ATOM 0 HD1 TYR A 37 72.408 71.430 34.288 1.00 0.00 H new ATOM 0 HD2 TYR A 37 71.997 75.475 32.922 1.00 0.00 H new ATOM 0 HE1 TYR A 37 70.033 71.411 34.971 1.00 0.00 H new ATOM 0 HE2 TYR A 37 69.620 75.458 33.606 1.00 0.00 H new ATOM 0 HH TYR A 37 68.089 74.350 34.964 1.00 0.00 H new ATOM 620 N PHE A 38 72.680 70.710 31.330 1.00 0.00 N ATOM 621 CA PHE A 38 71.810 70.290 30.250 1.00 0.00 C ATOM 622 C PHE A 38 70.490 70.770 30.670 1.00 0.00 C ATOM 623 O PHE A 38 69.960 70.310 31.680 1.00 0.00 O ATOM 624 CB PHE A 38 71.750 68.770 30.020 1.00 0.00 C ATOM 625 CG PHE A 38 73.090 68.220 29.610 1.00 0.00 C ATOM 626 CD1 PHE A 38 74.020 67.860 30.580 1.00 0.00 C ATOM 627 CD2 PHE A 38 73.400 68.070 28.260 1.00 0.00 C ATOM 628 CE1 PHE A 38 75.270 67.350 30.200 1.00 0.00 C ATOM 629 CE2 PHE A 38 74.650 67.570 27.880 1.00 0.00 C ATOM 630 CZ PHE A 38 75.580 67.210 28.850 1.00 0.00 C ATOM 0 H PHE A 38 72.550 70.146 32.170 1.00 0.00 H new ATOM 0 HA PHE A 38 72.174 70.688 29.303 1.00 0.00 H new ATOM 0 HB2 PHE A 38 71.417 68.276 30.933 1.00 0.00 H new ATOM 0 HB3 PHE A 38 71.013 68.547 29.249 1.00 0.00 H new ATOM 0 HD1 PHE A 38 73.779 67.973 31.627 1.00 0.00 H new ATOM 0 HD2 PHE A 38 72.675 68.340 27.506 1.00 0.00 H new ATOM 0 HE1 PHE A 38 75.990 67.067 30.953 1.00 0.00 H new ATOM 0 HE2 PHE A 38 74.893 67.463 26.833 1.00 0.00 H new ATOM 0 HZ PHE A 38 76.544 66.821 28.555 1.00 0.00 H new ATOM 640 N ALA A 39 69.970 71.680 29.860 1.00 0.00 N ATOM 641 CA ALA A 39 68.710 72.380 30.070 1.00 0.00 C ATOM 642 C ALA A 39 68.060 72.900 28.840 1.00 0.00 C ATOM 643 O ALA A 39 68.760 73.400 27.980 1.00 0.00 O ATOM 644 CB ALA A 39 68.960 73.540 31.010 1.00 0.00 C ATOM 0 H ALA A 39 70.436 71.964 28.998 1.00 0.00 H new ATOM 0 HA ALA A 39 68.021 71.641 30.479 1.00 0.00 H new ATOM 0 HB1 ALA A 39 68.027 74.078 31.180 1.00 0.00 H new ATOM 0 HB2 ALA A 39 69.340 73.163 31.960 1.00 0.00 H new ATOM 0 HB3 ALA A 39 69.693 74.215 30.568 1.00 0.00 H new ATOM 650 N PRO A 40 66.690 72.820 28.700 1.00 0.00 N ATOM 651 CA PRO A 40 66.190 72.030 27.560 1.00 0.00 C ATOM 652 C PRO A 40 66.440 72.640 26.080 1.00 0.00 C ATOM 653 O PRO A 40 66.720 73.820 25.980 1.00 0.00 O ATOM 654 CB PRO A 40 64.730 71.970 27.750 1.00 0.00 C ATOM 655 CG PRO A 40 64.400 73.290 28.430 1.00 0.00 C ATOM 656 CD PRO A 40 65.510 73.480 29.460 1.00 0.00 C ATOM 0 HA PRO A 40 66.730 71.083 27.572 1.00 0.00 H new ATOM 0 HB2 PRO A 40 64.206 71.867 26.799 1.00 0.00 H new ATOM 0 HB3 PRO A 40 64.441 71.119 28.367 1.00 0.00 H new ATOM 0 HG2 PRO A 40 64.379 74.111 27.713 1.00 0.00 H new ATOM 0 HG3 PRO A 40 63.420 73.257 28.905 1.00 0.00 H new ATOM 0 HD2 PRO A 40 65.694 74.530 29.687 1.00 0.00 H new ATOM 0 HD3 PRO A 40 65.292 72.983 30.405 1.00 0.00 H new ATOM 664 N THR A 41 66.610 71.660 25.040 1.00 0.00 N ATOM 665 CA THR A 41 66.560 72.090 23.720 1.00 0.00 C ATOM 666 C THR A 41 65.180 72.630 23.450 1.00 0.00 C ATOM 667 O THR A 41 65.070 73.700 22.850 1.00 0.00 O ATOM 668 CB THR A 41 66.820 70.950 22.740 1.00 0.00 C ATOM 669 OG1 THR A 41 67.990 70.420 22.800 1.00 0.00 O ATOM 670 CG2 THR A 41 66.570 71.360 21.310 1.00 0.00 C ATOM 0 H THR A 41 66.767 70.662 25.181 1.00 0.00 H new ATOM 0 HA THR A 41 67.331 72.848 23.580 1.00 0.00 H new ATOM 0 HB THR A 41 66.105 70.194 23.063 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.158 70.100 23.711 1.00 0.00 H new ATOM 0 HG21 THR A 41 66.768 70.516 20.650 1.00 0.00 H new ATOM 0 HG22 THR A 41 65.532 71.673 21.197 1.00 0.00 H new ATOM 0 HG23 THR A 41 67.229 72.188 21.048 1.00 0.00 H new ATOM 678 N ASN A 42 64.160 71.870 23.940 1.00 0.00 N ATOM 679 CA ASN A 42 62.670 71.930 23.750 1.00 0.00 C ATOM 680 C ASN A 42 61.910 73.200 24.230 1.00 0.00 C ATOM 681 O ASN A 42 61.020 73.710 23.510 1.00 0.00 O ATOM 682 CB ASN A 42 62.080 70.690 24.420 1.00 0.00 C ATOM 683 CG ASN A 42 62.560 69.420 23.720 1.00 0.00 C ATOM 684 OD1 ASN A 42 62.950 69.430 22.570 1.00 0.00 O ATOM 685 ND2 ASN A 42 62.530 68.320 24.420 1.00 0.00 N ATOM 0 H ASN A 42 64.389 71.095 24.562 1.00 0.00 H new ATOM 0 HA ASN A 42 62.526 71.974 22.670 1.00 0.00 H new ATOM 0 HB2 ASN A 42 62.371 70.665 25.470 1.00 0.00 H new ATOM 0 HB3 ASN A 42 60.991 70.738 24.392 1.00 0.00 H new ATOM 0 HD21 ASN A 42 62.839 67.442 24.003 1.00 0.00 H new ATOM 0 HD22 ASN A 42 62.198 68.338 25.384 1.00 0.00 H new ATOM 692 N ALA A 43 62.300 73.650 25.460 1.00 0.00 N ATOM 693 CA ALA A 43 61.720 74.900 25.860 1.00 0.00 C ATOM 694 C ALA A 43 62.580 76.100 25.980 1.00 0.00 C ATOM 695 O ALA A 43 62.070 77.200 26.000 1.00 0.00 O ATOM 696 CB ALA A 43 60.990 74.650 27.160 1.00 0.00 C ATOM 0 H ALA A 43 62.946 73.200 26.108 1.00 0.00 H new ATOM 0 HA ALA A 43 61.085 75.187 25.022 1.00 0.00 H new ATOM 0 HB1 ALA A 43 60.531 75.577 27.504 1.00 0.00 H new ATOM 0 HB2 ALA A 43 60.216 73.898 27.004 1.00 0.00 H new ATOM 0 HB3 ALA A 43 61.696 74.294 27.911 1.00 0.00 H new ATOM 702 N HIS A 44 63.870 75.900 26.110 1.00 0.00 N ATOM 703 CA HIS A 44 64.820 76.940 26.490 1.00 0.00 C ATOM 704 C HIS A 44 64.440 77.650 27.800 1.00 0.00 C ATOM 705 O HIS A 44 64.600 78.870 27.900 1.00 0.00 O ATOM 706 CB HIS A 44 64.950 77.950 25.350 1.00 0.00 C ATOM 707 CG HIS A 44 65.350 77.320 24.040 1.00 0.00 C ATOM 708 ND1 HIS A 44 64.460 77.130 23.000 1.00 0.00 N ATOM 709 CD2 HIS A 44 66.550 76.840 23.630 1.00 0.00 C ATOM 710 CE1 HIS A 44 65.120 76.560 21.990 1.00 0.00 C ATOM 711 NE2 HIS A 44 66.390 76.370 22.350 1.00 0.00 N ATOM 0 H HIS A 44 64.307 74.992 25.953 1.00 0.00 H new ATOM 0 HA HIS A 44 65.780 76.457 26.672 1.00 0.00 H new ATOM 0 HB2 HIS A 44 63.999 78.467 25.221 1.00 0.00 H new ATOM 0 HB3 HIS A 44 65.688 78.704 25.624 1.00 0.00 H new ATOM 0 HD1 HIS A 44 63.471 77.381 23.004 1.00 0.00 H new ATOM 0 HD2 HIS A 44 67.464 76.829 24.205 1.00 0.00 H new ATOM 0 HE1 HIS A 44 64.694 76.295 21.034 1.00 0.00 H new ATOM 719 N LYS A 45 63.930 76.900 28.810 1.00 0.00 N ATOM 720 CA LYS A 45 63.330 77.570 29.920 1.00 0.00 C ATOM 721 C LYS A 45 64.140 77.340 31.130 1.00 0.00 C ATOM 722 O LYS A 45 64.470 78.290 31.840 1.00 0.00 O ATOM 723 CB LYS A 45 61.900 77.080 30.130 1.00 0.00 C ATOM 724 CG LYS A 45 61.250 77.770 31.330 1.00 0.00 C ATOM 725 CD LYS A 45 59.850 77.220 31.590 1.00 0.00 C ATOM 726 CE LYS A 45 59.210 77.900 32.800 1.00 0.00 C ATOM 727 NZ LYS A 45 57.860 77.340 33.040 1.00 0.00 N ATOM 0 H LYS A 45 63.934 75.881 28.853 1.00 0.00 H new ATOM 0 HA LYS A 45 63.293 78.640 29.715 1.00 0.00 H new ATOM 0 HB2 LYS A 45 61.311 77.273 29.233 1.00 0.00 H new ATOM 0 HB3 LYS A 45 61.901 76.001 30.284 1.00 0.00 H new ATOM 0 HG2 LYS A 45 61.870 77.627 32.215 1.00 0.00 H new ATOM 0 HG3 LYS A 45 61.194 78.844 31.150 1.00 0.00 H new ATOM 0 HD2 LYS A 45 59.226 77.374 30.710 1.00 0.00 H new ATOM 0 HD3 LYS A 45 59.904 76.145 31.759 1.00 0.00 H new ATOM 0 HE2 LYS A 45 59.835 77.755 33.681 1.00 0.00 H new ATOM 0 HE3 LYS A 45 59.142 78.975 32.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 57.432 77.808 33.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 57.264 77.500 32.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 57.935 76.319 33.222 1.00 0.00 H new ATOM 741 N ASP A 46 64.420 76.050 31.350 1.00 0.00 N ATOM 742 CA ASP A 46 65.380 75.790 32.440 1.00 0.00 C ATOM 743 C ASP A 46 66.770 76.460 32.150 1.00 0.00 C ATOM 744 O ASP A 46 67.420 77.000 33.040 1.00 0.00 O ATOM 745 CB ASP A 46 65.550 74.290 32.680 1.00 0.00 C ATOM 746 CG ASP A 46 64.300 73.700 33.310 1.00 0.00 C ATOM 747 OD1 ASP A 46 63.530 74.570 33.740 1.00 0.00 O ATOM 748 OD2 ASP A 46 64.230 72.430 33.360 1.00 0.00 O ATOM 0 H ASP A 46 64.045 75.243 30.851 1.00 0.00 H new ATOM 0 HA ASP A 46 64.971 76.237 33.346 1.00 0.00 H new ATOM 0 HB2 ASP A 46 65.759 73.787 31.736 1.00 0.00 H new ATOM 0 HB3 ASP A 46 66.407 74.116 33.330 1.00 0.00 H new ATOM 753 N MET A 47 67.190 76.450 30.900 1.00 0.00 N ATOM 754 CA MET A 47 68.410 77.140 30.600 1.00 0.00 C ATOM 755 C MET A 47 68.490 78.660 30.840 1.00 0.00 C ATOM 756 O MET A 47 69.480 79.170 31.360 1.00 0.00 O ATOM 757 CB MET A 47 68.700 76.810 29.150 1.00 0.00 C ATOM 758 CG MET A 47 70.000 77.450 28.690 1.00 0.00 C ATOM 759 SD MET A 47 70.420 76.960 27.010 1.00 0.00 S ATOM 760 CE MET A 47 69.210 77.980 26.130 1.00 0.00 C ATOM 0 H MET A 47 66.725 75.993 30.115 1.00 0.00 H new ATOM 0 HA MET A 47 69.150 76.790 31.320 1.00 0.00 H new ATOM 0 HB2 MET A 47 68.760 75.729 29.025 1.00 0.00 H new ATOM 0 HB3 MET A 47 67.879 77.158 28.524 1.00 0.00 H new ATOM 0 HG2 MET A 47 69.910 78.535 28.742 1.00 0.00 H new ATOM 0 HG3 MET A 47 70.806 77.164 29.366 1.00 0.00 H new ATOM 0 HE1 MET A 47 69.475 78.028 25.074 1.00 0.00 H new ATOM 0 HE2 MET A 47 68.218 77.541 26.236 1.00 0.00 H new ATOM 0 HE3 MET A 47 69.208 78.986 26.550 1.00 0.00 H new ATOM 770 N LEU A 48 67.440 79.320 30.440 1.00 0.00 N ATOM 771 CA LEU A 48 67.350 80.740 30.630 1.00 0.00 C ATOM 772 C LEU A 48 67.390 81.080 32.160 1.00 0.00 C ATOM 773 O LEU A 48 68.040 82.040 32.570 1.00 0.00 O ATOM 774 CB LEU A 48 66.060 81.270 29.990 1.00 0.00 C ATOM 775 CG LEU A 48 65.900 82.790 30.180 1.00 0.00 C ATOM 776 CD1 LEU A 48 67.000 83.520 29.470 1.00 0.00 C ATOM 777 CD2 LEU A 48 64.570 83.250 29.600 1.00 0.00 C ATOM 0 H LEU A 48 66.634 78.897 29.980 1.00 0.00 H new ATOM 0 HA LEU A 48 68.200 81.222 30.148 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.062 81.037 28.925 1.00 0.00 H new ATOM 0 HB3 LEU A 48 65.202 80.758 30.427 1.00 0.00 H new ATOM 0 HG LEU A 48 65.939 83.006 31.248 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.875 84.593 29.612 1.00 0.00 H new ATOM 0 HD12 LEU A 48 67.963 83.210 29.875 1.00 0.00 H new ATOM 0 HD13 LEU A 48 66.963 83.288 28.406 1.00 0.00 H new ATOM 0 HD21 LEU A 48 64.465 84.326 29.739 1.00 0.00 H new ATOM 0 HD22 LEU A 48 64.537 83.016 28.536 1.00 0.00 H new ATOM 0 HD23 LEU A 48 63.754 82.737 30.110 1.00 0.00 H new ATOM 789 N LYS A 49 66.690 80.240 32.960 1.00 0.00 N ATOM 790 CA LYS A 49 66.670 80.410 34.400 1.00 0.00 C ATOM 791 C LYS A 49 68.020 80.230 35.000 1.00 0.00 C ATOM 792 O LYS A 49 68.380 80.910 35.920 1.00 0.00 O ATOM 793 CB LYS A 49 65.680 79.440 35.040 1.00 0.00 C ATOM 794 CG LYS A 49 64.240 79.830 34.720 1.00 0.00 C ATOM 795 CD LYS A 49 63.260 78.840 35.350 1.00 0.00 C ATOM 796 CE LYS A 49 61.820 79.240 35.050 1.00 0.00 C ATOM 797 NZ LYS A 49 60.900 78.290 35.670 1.00 0.00 N ATOM 0 H LYS A 49 66.142 79.450 32.619 1.00 0.00 H new ATOM 0 HA LYS A 49 66.351 81.433 34.600 1.00 0.00 H new ATOM 0 HB2 LYS A 49 65.874 78.429 34.681 1.00 0.00 H new ATOM 0 HB3 LYS A 49 65.825 79.428 36.120 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.039 80.835 35.091 1.00 0.00 H new ATOM 0 HG3 LYS A 49 64.096 79.855 33.640 1.00 0.00 H new ATOM 0 HD2 LYS A 49 63.451 77.838 34.967 1.00 0.00 H new ATOM 0 HD3 LYS A 49 63.415 78.804 36.428 1.00 0.00 H new ATOM 0 HE2 LYS A 49 61.627 80.245 35.426 1.00 0.00 H new ATOM 0 HE3 LYS A 49 61.658 79.266 33.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 59.920 78.597 35.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 61.042 77.347 35.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 61.081 78.248 36.693 1.00 0.00 H new ATOM 811 N ALA A 50 68.740 79.300 34.440 1.00 0.00 N ATOM 812 CA ALA A 50 70.100 79.030 34.870 1.00 0.00 C ATOM 813 C ALA A 50 71.060 80.150 34.770 1.00 0.00 C ATOM 814 O ALA A 50 71.850 80.350 35.660 1.00 0.00 O ATOM 815 CB ALA A 50 70.620 77.840 34.080 1.00 0.00 C ATOM 0 H ALA A 50 68.413 78.707 33.678 1.00 0.00 H new ATOM 0 HA ALA A 50 70.034 78.835 35.940 1.00 0.00 H new ATOM 0 HB1 ALA A 50 71.642 77.618 34.387 1.00 0.00 H new ATOM 0 HB2 ALA A 50 69.988 76.973 34.270 1.00 0.00 H new ATOM 0 HB3 ALA A 50 70.603 78.075 33.016 1.00 0.00 H new ATOM 821 N VAL A 51 71.000 80.890 33.700 1.00 0.00 N ATOM 822 CA VAL A 51 71.830 82.110 33.500 1.00 0.00 C ATOM 823 C VAL A 51 71.530 83.020 34.760 1.00 0.00 C ATOM 824 O VAL A 51 72.440 83.500 35.430 1.00 0.00 O ATOM 825 CB VAL A 51 71.510 82.890 32.190 1.00 0.00 C ATOM 826 CG1 VAL A 51 72.340 84.170 32.120 1.00 0.00 C ATOM 827 CG2 VAL A 51 71.840 82.040 30.960 1.00 0.00 C ATOM 0 H VAL A 51 70.378 80.687 32.918 1.00 0.00 H new ATOM 0 HA VAL A 51 72.878 81.828 33.402 1.00 0.00 H new ATOM 0 HB VAL A 51 70.447 83.130 32.199 1.00 0.00 H new ATOM 0 HG11 VAL A 51 72.106 84.705 31.200 1.00 0.00 H new ATOM 0 HG12 VAL A 51 72.107 84.802 32.977 1.00 0.00 H new ATOM 0 HG13 VAL A 51 73.400 83.917 32.134 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.609 82.603 30.056 1.00 0.00 H new ATOM 0 HG22 VAL A 51 72.900 81.785 30.968 1.00 0.00 H new ATOM 0 HG23 VAL A 51 71.246 81.126 30.979 1.00 0.00 H new ATOM 837 N ASP A 52 70.270 83.230 35.090 1.00 0.00 N ATOM 838 CA ASP A 52 69.810 84.030 36.250 1.00 0.00 C ATOM 839 C ASP A 52 70.230 83.390 37.550 1.00 0.00 C ATOM 840 O ASP A 52 70.800 84.060 38.400 1.00 0.00 O ATOM 841 CB ASP A 52 68.290 84.220 36.250 1.00 0.00 C ATOM 842 CG ASP A 52 67.930 85.190 35.120 1.00 0.00 C ATOM 843 OD1 ASP A 52 68.980 85.870 34.690 1.00 0.00 O ATOM 844 OD2 ASP A 52 66.660 85.170 34.810 1.00 0.00 O ATOM 0 H ASP A 52 69.497 82.842 34.549 1.00 0.00 H new ATOM 0 HA ASP A 52 70.280 85.009 36.158 1.00 0.00 H new ATOM 0 HB2 ASP A 52 67.787 83.264 36.105 1.00 0.00 H new ATOM 0 HB3 ASP A 52 67.956 84.614 37.210 1.00 0.00 H new ATOM 849 N PHE A 53 70.020 82.080 37.690 1.00 0.00 N ATOM 850 CA PHE A 53 70.410 81.530 38.960 1.00 0.00 C ATOM 851 C PHE A 53 71.870 81.540 39.300 1.00 0.00 C ATOM 852 O PHE A 53 72.220 81.890 40.440 1.00 0.00 O ATOM 853 CB PHE A 53 69.870 80.110 39.020 1.00 0.00 C ATOM 854 CG PHE A 53 68.370 80.080 38.980 1.00 0.00 C ATOM 855 CD1 PHE A 53 67.630 81.200 39.360 1.00 0.00 C ATOM 856 CD2 PHE A 53 67.700 78.930 38.540 1.00 0.00 C ATOM 857 CE1 PHE A 53 66.230 81.170 39.250 1.00 0.00 C ATOM 858 CE2 PHE A 53 66.300 78.900 38.500 1.00 0.00 C ATOM 859 CZ PHE A 53 65.600 80.020 38.840 1.00 0.00 C ATOM 0 H PHE A 53 69.619 81.441 37.003 1.00 0.00 H new ATOM 0 HA PHE A 53 69.986 82.195 39.713 1.00 0.00 H new ATOM 0 HB2 PHE A 53 70.267 79.535 38.184 1.00 0.00 H new ATOM 0 HB3 PHE A 53 70.219 79.627 39.933 1.00 0.00 H new ATOM 0 HD1 PHE A 53 68.129 82.081 39.735 1.00 0.00 H new ATOM 0 HD2 PHE A 53 68.265 78.063 38.231 1.00 0.00 H new ATOM 0 HE1 PHE A 53 65.650 82.049 39.487 1.00 0.00 H new ATOM 0 HE2 PHE A 53 65.781 78.000 38.203 1.00 0.00 H new ATOM 0 HZ PHE A 53 64.522 80.002 38.785 1.00 0.00 H new ATOM 869 N PHE A 54 72.650 81.140 38.270 1.00 0.00 N ATOM 870 CA PHE A 54 74.080 80.870 38.440 1.00 0.00 C ATOM 871 C PHE A 54 74.720 82.140 38.840 1.00 0.00 C ATOM 872 O PHE A 54 75.650 82.130 39.620 1.00 0.00 O ATOM 873 CB PHE A 54 74.700 80.350 37.220 1.00 0.00 C ATOM 874 CG PHE A 54 74.300 78.920 36.850 1.00 0.00 C ATOM 875 CD1 PHE A 54 73.950 78.050 37.860 1.00 0.00 C ATOM 876 CD2 PHE A 54 74.270 78.480 35.510 1.00 0.00 C ATOM 877 CE1 PHE A 54 73.560 76.740 37.570 1.00 0.00 C ATOM 878 CE2 PHE A 54 73.880 77.190 35.220 1.00 0.00 C ATOM 879 CZ PHE A 54 73.500 76.320 36.240 1.00 0.00 C ATOM 0 H PHE A 54 72.307 81.000 37.320 1.00 0.00 H new ATOM 0 HA PHE A 54 74.213 80.099 39.199 1.00 0.00 H new ATOM 0 HB2 PHE A 54 74.443 81.009 36.391 1.00 0.00 H new ATOM 0 HB3 PHE A 54 75.783 80.390 37.335 1.00 0.00 H new ATOM 0 HD1 PHE A 54 73.977 78.384 38.887 1.00 0.00 H new ATOM 0 HD2 PHE A 54 74.552 79.152 34.713 1.00 0.00 H new ATOM 0 HE1 PHE A 54 73.307 76.058 38.368 1.00 0.00 H new ATOM 0 HE2 PHE A 54 73.869 76.851 34.195 1.00 0.00 H new ATOM 0 HZ PHE A 54 73.160 75.323 36.002 1.00 0.00 H new ATOM 889 N LYS A 55 74.200 83.260 38.330 1.00 0.00 N ATOM 890 CA LYS A 55 74.490 84.580 38.860 1.00 0.00 C ATOM 891 C LYS A 55 73.950 84.970 40.250 1.00 0.00 C ATOM 892 O LYS A 55 74.670 85.630 41.010 1.00 0.00 O ATOM 893 CB LYS A 55 74.020 85.560 37.810 1.00 0.00 C ATOM 894 CG LYS A 55 74.920 85.530 36.570 1.00 0.00 C ATOM 895 CD LYS A 55 74.430 86.520 35.520 1.00 0.00 C ATOM 896 CE LYS A 55 75.330 86.490 34.290 1.00 0.00 C ATOM 897 NZ LYS A 55 74.850 87.460 33.280 1.00 0.00 N ATOM 0 H LYS A 55 73.563 83.268 37.533 1.00 0.00 H new ATOM 0 HA LYS A 55 75.562 84.590 39.057 1.00 0.00 H new ATOM 0 HB2 LYS A 55 72.995 85.324 37.523 1.00 0.00 H new ATOM 0 HB3 LYS A 55 74.009 86.566 38.229 1.00 0.00 H new ATOM 0 HG2 LYS A 55 75.945 85.771 36.853 1.00 0.00 H new ATOM 0 HG3 LYS A 55 74.934 84.524 36.150 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.407 86.278 35.234 1.00 0.00 H new ATOM 0 HD3 LYS A 55 74.414 87.525 35.941 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.355 86.728 34.575 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.342 85.487 33.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.472 87.430 32.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.880 87.215 32.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.861 88.418 33.686 1.00 0.00 H new ATOM 911 N GLU A 56 72.690 84.600 40.600 1.00 0.00 N ATOM 912 CA GLU A 56 72.130 84.910 41.950 1.00 0.00 C ATOM 913 C GLU A 56 72.920 84.500 43.190 1.00 0.00 C ATOM 914 O GLU A 56 72.840 85.070 44.250 1.00 0.00 O ATOM 915 CB GLU A 56 70.730 84.310 42.010 1.00 0.00 C ATOM 916 CG GLU A 56 69.770 85.070 41.090 1.00 0.00 C ATOM 917 CD GLU A 56 68.380 84.460 41.140 1.00 0.00 C ATOM 918 OE1 GLU A 56 68.210 83.450 41.840 1.00 0.00 O ATOM 919 OE2 GLU A 56 67.470 85.010 40.480 1.00 0.00 O ATOM 0 H GLU A 56 72.052 84.097 39.984 1.00 0.00 H new ATOM 0 HA GLU A 56 72.163 85.998 42.015 1.00 0.00 H new ATOM 0 HB2 GLU A 56 70.767 83.261 41.717 1.00 0.00 H new ATOM 0 HB3 GLU A 56 70.360 84.342 43.035 1.00 0.00 H new ATOM 0 HG2 GLU A 56 69.724 86.117 41.390 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.145 85.048 40.067 1.00 0.00 H new ATOM 926 N LYS A 57 73.680 83.450 43.030 1.00 0.00 N ATOM 927 CA LYS A 57 74.620 82.840 43.980 1.00 0.00 C ATOM 928 C LYS A 57 76.070 82.850 43.570 1.00 0.00 C ATOM 929 O LYS A 57 76.390 82.800 42.400 1.00 0.00 O ATOM 930 CB LYS A 57 74.160 81.400 44.200 1.00 0.00 C ATOM 931 CG LYS A 57 72.790 81.360 44.890 1.00 0.00 C ATOM 932 CD LYS A 57 72.310 79.920 45.060 1.00 0.00 C ATOM 933 CE LYS A 57 70.940 79.880 45.730 1.00 0.00 C ATOM 934 NZ LYS A 57 70.500 78.490 45.850 1.00 0.00 N ATOM 0 H LYS A 57 73.668 82.937 42.149 1.00 0.00 H new ATOM 0 HA LYS A 57 74.595 83.448 44.884 1.00 0.00 H new ATOM 0 HB2 LYS A 57 74.104 80.882 43.243 1.00 0.00 H new ATOM 0 HB3 LYS A 57 74.893 80.869 44.808 1.00 0.00 H new ATOM 0 HG2 LYS A 57 72.854 81.844 45.865 1.00 0.00 H new ATOM 0 HG3 LYS A 57 72.065 81.923 44.302 1.00 0.00 H new ATOM 0 HD2 LYS A 57 72.258 79.432 44.087 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.029 79.361 45.659 1.00 0.00 H new ATOM 0 HE2 LYS A 57 70.991 80.344 46.715 1.00 0.00 H new ATOM 0 HE3 LYS A 57 70.220 80.452 45.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 69.495 78.421 45.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 71.063 77.891 45.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 70.629 78.168 46.831 1.00 0.00 H new ATOM 948 N GLY A 58 76.880 82.900 44.590 1.00 0.00 N ATOM 949 CA GLY A 58 78.300 83.100 44.460 1.00 0.00 C ATOM 950 C GLY A 58 79.100 81.910 44.050 1.00 0.00 C ATOM 951 O GLY A 58 80.260 82.100 43.710 1.00 0.00 O ATOM 0 H GLY A 58 76.567 82.801 45.556 1.00 0.00 H new ATOM 0 HA2 GLY A 58 78.469 83.893 43.731 1.00 0.00 H new ATOM 0 HA3 GLY A 58 78.684 83.458 45.415 1.00 0.00 H new ATOM 955 N HIS A 59 78.530 80.670 44.030 1.00 0.00 N ATOM 956 CA HIS A 59 79.420 79.510 43.830 1.00 0.00 C ATOM 957 C HIS A 59 80.230 79.410 42.480 1.00 0.00 C ATOM 958 O HIS A 59 81.430 79.100 42.460 1.00 0.00 O ATOM 959 CB HIS A 59 78.590 78.250 44.060 1.00 0.00 C ATOM 960 CG HIS A 59 78.030 78.140 45.450 1.00 0.00 C ATOM 961 ND1 HIS A 59 78.820 77.890 46.560 1.00 0.00 N ATOM 962 CD2 HIS A 59 76.750 78.260 45.900 1.00 0.00 C ATOM 963 CE1 HIS A 59 78.040 77.870 47.590 1.00 0.00 C ATOM 964 NE2 HIS A 59 76.770 78.080 47.260 1.00 0.00 N ATOM 0 H HIS A 59 77.537 80.464 44.141 1.00 0.00 H new ATOM 0 HA HIS A 59 80.225 79.641 44.554 1.00 0.00 H new ATOM 0 HB2 HIS A 59 77.768 78.232 43.344 1.00 0.00 H new ATOM 0 HB3 HIS A 59 79.209 77.376 43.857 1.00 0.00 H new ATOM 0 HD1 HIS A 59 79.830 77.748 46.564 1.00 0.00 H new ATOM 0 HD2 HIS A 59 75.878 78.460 45.296 1.00 0.00 H new ATOM 0 HE1 HIS A 59 78.380 77.702 48.601 1.00 0.00 H new ATOM 0 HE2 HIS A 59 75.970 78.103 47.892 1.00 0.00 H new ATOM 972 N THR A 60 79.520 79.680 41.390 1.00 0.00 N ATOM 973 CA THR A 60 80.080 79.620 40.100 1.00 0.00 C ATOM 974 C THR A 60 81.100 80.760 40.060 1.00 0.00 C ATOM 975 O THR A 60 80.950 81.750 40.790 1.00 0.00 O ATOM 976 CB THR A 60 79.050 79.780 38.970 1.00 0.00 C ATOM 977 OG1 THR A 60 79.710 79.590 37.730 1.00 0.00 O ATOM 978 CG2 THR A 60 78.440 81.180 38.970 1.00 0.00 C ATOM 0 H THR A 60 78.535 79.946 41.407 1.00 0.00 H new ATOM 0 HA THR A 60 80.522 78.638 39.929 1.00 0.00 H new ATOM 0 HB THR A 60 78.256 79.048 39.121 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.547 79.102 37.876 1.00 0.00 H new ATOM 0 HG21 THR A 60 77.716 81.261 38.159 1.00 0.00 H new ATOM 0 HG22 THR A 60 77.941 81.359 39.922 1.00 0.00 H new ATOM 0 HG23 THR A 60 79.228 81.920 38.828 1.00 0.00 H new ATOM 986 N ALA A 61 82.110 80.590 39.220 1.00 0.00 N ATOM 987 CA ALA A 61 83.100 81.530 38.810 1.00 0.00 C ATOM 988 C ALA A 61 82.680 82.120 37.480 1.00 0.00 C ATOM 989 O ALA A 61 82.720 83.330 37.310 1.00 0.00 O ATOM 990 CB ALA A 61 84.470 80.860 38.700 1.00 0.00 C ATOM 0 H ALA A 61 82.256 79.686 38.770 1.00 0.00 H new ATOM 0 HA ALA A 61 83.185 82.323 39.552 1.00 0.00 H new ATOM 0 HB1 ALA A 61 85.211 81.595 38.386 1.00 0.00 H new ATOM 0 HB2 ALA A 61 84.754 80.451 39.670 1.00 0.00 H new ATOM 0 HB3 ALA A 61 84.424 80.055 37.966 1.00 0.00 H new ATOM 996 N TYR A 62 82.300 81.270 36.520 1.00 0.00 N ATOM 997 CA TYR A 62 82.020 81.750 35.150 1.00 0.00 C ATOM 998 C TYR A 62 80.860 80.960 34.610 1.00 0.00 C ATOM 999 O TYR A 62 80.730 79.780 34.970 1.00 0.00 O ATOM 1000 CB TYR A 62 83.230 81.590 34.210 1.00 0.00 C ATOM 1001 CG TYR A 62 84.370 82.520 34.580 1.00 0.00 C ATOM 1002 CD1 TYR A 62 84.340 83.860 34.180 1.00 0.00 C ATOM 1003 CD2 TYR A 62 85.450 82.050 35.320 1.00 0.00 C ATOM 1004 CE1 TYR A 62 85.380 84.730 34.530 1.00 0.00 C ATOM 1005 CE2 TYR A 62 86.500 82.910 35.670 1.00 0.00 C ATOM 1006 CZ TYR A 62 86.460 84.250 35.270 1.00 0.00 C ATOM 1007 OH TYR A 62 87.460 85.050 35.610 1.00 0.00 O ATOM 0 H TYR A 62 82.179 80.266 36.655 1.00 0.00 H new ATOM 0 HA TYR A 62 81.793 82.815 35.198 1.00 0.00 H new ATOM 0 HB2 TYR A 62 83.580 80.558 34.243 1.00 0.00 H new ATOM 0 HB3 TYR A 62 82.920 81.789 33.184 1.00 0.00 H new ATOM 0 HD1 TYR A 62 83.508 84.227 33.597 1.00 0.00 H new ATOM 0 HD2 TYR A 62 85.480 81.015 35.627 1.00 0.00 H new ATOM 0 HE1 TYR A 62 85.346 85.767 34.229 1.00 0.00 H new ATOM 0 HE2 TYR A 62 87.336 82.540 36.246 1.00 0.00 H new ATOM 0 HH TYR A 62 88.123 84.544 36.124 1.00 0.00 H new ATOM 1017 N LEU A 63 80.040 81.600 33.750 1.00 0.00 N ATOM 1018 CA LEU A 63 79.240 80.840 32.840 1.00 0.00 C ATOM 1019 C LEU A 63 79.390 81.210 31.360 1.00 0.00 C ATOM 1020 O LEU A 63 79.520 82.400 31.060 1.00 0.00 O ATOM 1021 CB LEU A 63 77.790 80.980 33.290 1.00 0.00 C ATOM 1022 CG LEU A 63 76.820 80.180 32.400 1.00 0.00 C ATOM 1023 CD1 LEU A 63 77.110 78.690 32.520 1.00 0.00 C ATOM 1024 CD2 LEU A 63 75.380 80.440 32.820 1.00 0.00 C ATOM 0 H LEU A 63 79.934 82.612 33.686 1.00 0.00 H new ATOM 0 HA LEU A 63 79.591 79.809 32.881 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.698 80.639 34.321 1.00 0.00 H new ATOM 0 HB3 LEU A 63 77.508 82.033 33.276 1.00 0.00 H new ATOM 0 HG LEU A 63 76.959 80.499 31.367 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.419 78.133 31.887 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.134 78.492 32.202 1.00 0.00 H new ATOM 0 HD13 LEU A 63 76.985 78.377 33.557 1.00 0.00 H new ATOM 0 HD21 LEU A 63 74.706 79.868 32.182 1.00 0.00 H new ATOM 0 HD22 LEU A 63 75.243 80.136 33.858 1.00 0.00 H new ATOM 0 HD23 LEU A 63 75.158 81.503 32.721 1.00 0.00 H new ATOM 1036 N ASP A 64 79.330 80.230 30.440 1.00 0.00 N ATOM 1037 CA ASP A 64 79.220 80.510 29.030 1.00 0.00 C ATOM 1038 C ASP A 64 78.460 79.360 28.340 1.00 0.00 C ATOM 1039 O ASP A 64 77.990 78.440 28.980 1.00 0.00 O ATOM 1040 CB ASP A 64 80.610 80.700 28.410 1.00 0.00 C ATOM 1041 CG ASP A 64 80.470 81.600 27.250 1.00 0.00 C ATOM 1042 OD1 ASP A 64 79.150 81.750 26.860 1.00 0.00 O ATOM 1043 OD2 ASP A 64 81.640 82.130 26.870 1.00 0.00 O ATOM 0 H ASP A 64 79.357 79.236 30.668 1.00 0.00 H new ATOM 0 HA ASP A 64 78.664 81.437 28.887 1.00 0.00 H new ATOM 0 HB2 ASP A 64 81.299 81.124 29.141 1.00 0.00 H new ATOM 0 HB3 ASP A 64 81.024 79.740 28.101 1.00 0.00 H new ATOM 1048 N GLU A 65 78.280 79.330 27.060 1.00 0.00 N ATOM 1049 CA GLU A 65 77.570 78.320 26.320 1.00 0.00 C ATOM 1050 C GLU A 65 78.600 77.220 26.100 1.00 0.00 C ATOM 1051 O GLU A 65 79.800 77.450 26.300 1.00 0.00 O ATOM 1052 CB GLU A 65 77.040 78.830 24.970 1.00 0.00 C ATOM 1053 CG GLU A 65 75.910 79.840 25.150 1.00 0.00 C ATOM 1054 CD GLU A 65 75.410 80.360 23.820 1.00 0.00 C ATOM 1055 OE1 GLU A 65 76.070 81.250 23.240 1.00 0.00 O ATOM 1056 OE2 GLU A 65 74.370 79.860 23.320 1.00 0.00 O ATOM 0 H GLU A 65 78.650 80.062 26.453 1.00 0.00 H new ATOM 0 HA GLU A 65 76.687 77.987 26.865 1.00 0.00 H new ATOM 0 HB2 GLU A 65 77.854 79.291 24.411 1.00 0.00 H new ATOM 0 HB3 GLU A 65 76.683 77.987 24.378 1.00 0.00 H new ATOM 0 HG2 GLU A 65 75.087 79.373 25.691 1.00 0.00 H new ATOM 0 HG3 GLU A 65 76.260 80.674 25.759 1.00 0.00 H new ATOM 1063 N VAL A 66 78.160 76.030 25.660 1.00 0.00 N ATOM 1064 CA VAL A 66 78.820 75.230 24.680 1.00 0.00 C ATOM 1065 C VAL A 66 78.320 75.480 23.240 1.00 0.00 C ATOM 1066 O VAL A 66 77.150 75.670 23.020 1.00 0.00 O ATOM 1067 CB VAL A 66 78.680 73.740 25.050 1.00 0.00 C ATOM 1068 CG1 VAL A 66 79.290 72.900 23.960 1.00 0.00 C ATOM 1069 CG2 VAL A 66 79.410 73.450 26.360 1.00 0.00 C ATOM 0 H VAL A 66 77.300 75.605 26.006 1.00 0.00 H new ATOM 0 HA VAL A 66 79.870 75.522 24.686 1.00 0.00 H new ATOM 0 HB VAL A 66 77.622 73.503 25.166 1.00 0.00 H new ATOM 0 HG11 VAL A 66 79.194 71.845 24.217 1.00 0.00 H new ATOM 0 HG12 VAL A 66 78.774 73.093 23.020 1.00 0.00 H new ATOM 0 HG13 VAL A 66 80.345 73.153 23.853 1.00 0.00 H new ATOM 0 HG21 VAL A 66 79.303 72.394 26.610 1.00 0.00 H new ATOM 0 HG22 VAL A 66 80.467 73.692 26.249 1.00 0.00 H new ATOM 0 HG23 VAL A 66 78.981 74.057 27.158 1.00 0.00 H new ATOM 1079 N ARG A 67 79.260 75.460 22.240 1.00 0.00 N ATOM 1080 CA ARG A 67 78.870 75.700 20.840 1.00 0.00 C ATOM 1081 C ARG A 67 78.380 74.480 20.110 1.00 0.00 C ATOM 1082 O ARG A 67 78.250 74.470 18.970 1.00 0.00 O ATOM 1083 CB ARG A 67 80.030 76.360 20.090 1.00 0.00 C ATOM 1084 CG ARG A 67 80.270 77.790 20.570 1.00 0.00 C ATOM 1085 CD ARG A 67 78.980 78.590 20.590 1.00 0.00 C ATOM 1086 NE ARG A 67 79.230 79.960 21.070 1.00 0.00 N ATOM 1087 CZ ARG A 67 78.270 80.860 21.200 1.00 0.00 C ATOM 1088 NH1 ARG A 67 77.040 80.540 20.870 1.00 0.00 N ATOM 1089 NH2 ARG A 67 78.550 82.070 21.630 1.00 0.00 N ATOM 0 H ARG A 67 80.254 75.285 22.385 1.00 0.00 H new ATOM 0 HA ARG A 67 78.011 76.370 20.871 1.00 0.00 H new ATOM 0 HB2 ARG A 67 80.937 75.772 20.231 1.00 0.00 H new ATOM 0 HB3 ARG A 67 79.816 76.366 19.021 1.00 0.00 H new ATOM 0 HG2 ARG A 67 80.705 77.772 21.569 1.00 0.00 H new ATOM 0 HG3 ARG A 67 80.993 78.278 19.917 1.00 0.00 H new ATOM 0 HD2 ARG A 67 78.549 78.622 19.589 1.00 0.00 H new ATOM 0 HD3 ARG A 67 78.251 78.100 21.235 1.00 0.00 H new ATOM 0 HE ARG A 67 80.184 80.226 21.312 1.00 0.00 H new ATOM 0 HH11 ARG A 67 76.833 79.605 20.518 1.00 0.00 H new ATOM 0 HH12 ARG A 67 76.291 81.226 20.966 1.00 0.00 H new ATOM 0 HH21 ARG A 67 79.511 82.318 21.865 1.00 0.00 H new ATOM 0 HH22 ARG A 67 77.806 82.761 21.729 1.00 0.00 H new ATOM 1103 N VAL A 68 77.970 73.430 20.800 1.00 0.00 N ATOM 1104 CA VAL A 68 76.900 72.670 20.200 1.00 0.00 C ATOM 1105 C VAL A 68 75.590 73.450 20.600 1.00 0.00 C ATOM 1106 O VAL A 68 74.500 73.020 20.250 1.00 0.00 O ATOM 1107 CB VAL A 68 76.840 71.190 20.640 1.00 0.00 C ATOM 1108 CG1 VAL A 68 78.150 70.460 20.350 1.00 0.00 C ATOM 1109 CG2 VAL A 68 76.570 71.110 22.140 1.00 0.00 C ATOM 0 H VAL A 68 78.327 73.107 21.699 1.00 0.00 H new ATOM 0 HA VAL A 68 77.045 72.598 19.122 1.00 0.00 H new ATOM 0 HB VAL A 68 76.039 70.714 20.074 1.00 0.00 H new ATOM 0 HG11 VAL A 68 78.068 69.422 20.674 1.00 0.00 H new ATOM 0 HG12 VAL A 68 78.355 70.491 19.280 1.00 0.00 H new ATOM 0 HG13 VAL A 68 78.964 70.945 20.889 1.00 0.00 H new ATOM 0 HG21 VAL A 68 76.528 70.065 22.447 1.00 0.00 H new ATOM 0 HG22 VAL A 68 77.370 71.615 22.681 1.00 0.00 H new ATOM 0 HG23 VAL A 68 75.619 71.592 22.365 1.00 0.00 H new ATOM 1119 N SER A 69 75.620 74.590 21.310 1.00 0.00 N ATOM 1120 CA SER A 69 74.460 75.360 21.740 1.00 0.00 C ATOM 1121 C SER A 69 73.890 75.800 20.440 1.00 0.00 C ATOM 1122 O SER A 69 72.680 75.730 20.280 1.00 0.00 O ATOM 1123 CB SER A 69 74.760 76.600 22.590 1.00 0.00 C ATOM 1124 OG SER A 69 75.490 77.550 21.820 1.00 0.00 O ATOM 0 H SER A 69 76.499 75.012 21.609 1.00 0.00 H new ATOM 0 HA SER A 69 73.822 74.756 22.385 1.00 0.00 H new ATOM 0 HB2 SER A 69 73.829 77.043 22.943 1.00 0.00 H new ATOM 0 HB3 SER A 69 75.333 76.317 23.473 1.00 0.00 H new ATOM 0 HG SER A 69 75.235 78.456 22.092 1.00 0.00 H new ATOM 1130 N THR A 70 74.770 76.230 19.500 1.00 0.00 N ATOM 1131 CA THR A 70 74.290 76.850 18.270 1.00 0.00 C ATOM 1132 C THR A 70 73.420 75.930 17.490 1.00 0.00 C ATOM 1133 O THR A 70 72.420 76.350 16.940 1.00 0.00 O ATOM 1134 CB THR A 70 75.440 77.330 17.390 1.00 0.00 C ATOM 1135 OG1 THR A 70 76.290 76.230 17.080 1.00 0.00 O ATOM 1136 CG2 THR A 70 76.270 78.400 18.100 1.00 0.00 C ATOM 0 H THR A 70 75.784 76.156 19.579 1.00 0.00 H new ATOM 0 HA THR A 70 73.700 77.714 18.576 1.00 0.00 H new ATOM 0 HB THR A 70 75.015 77.757 16.482 1.00 0.00 H new ATOM 0 HG1 THR A 70 77.028 76.537 16.513 1.00 0.00 H new ATOM 0 HG21 THR A 70 77.082 78.723 17.448 1.00 0.00 H new ATOM 0 HG22 THR A 70 75.636 79.254 18.339 1.00 0.00 H new ATOM 0 HG23 THR A 70 76.685 77.988 19.020 1.00 0.00 H new ATOM 1144 N ASP A 71 73.800 74.680 17.480 1.00 0.00 N ATOM 1145 CA ASP A 71 73.000 73.660 16.870 1.00 0.00 C ATOM 1146 C ASP A 71 71.820 73.060 17.680 1.00 0.00 C ATOM 1147 O ASP A 71 70.720 72.900 17.100 1.00 0.00 O ATOM 1148 CB ASP A 71 73.990 72.580 16.470 1.00 0.00 C ATOM 1149 CG ASP A 71 74.900 73.140 15.370 1.00 0.00 C ATOM 1150 OD1 ASP A 71 74.530 74.350 14.960 1.00 0.00 O ATOM 1151 OD2 ASP A 71 75.910 72.380 15.140 1.00 0.00 O ATOM 0 H ASP A 71 74.670 74.344 17.894 1.00 0.00 H new ATOM 0 HA ASP A 71 72.458 74.124 16.046 1.00 0.00 H new ATOM 0 HB2 ASP A 71 74.582 72.271 17.331 1.00 0.00 H new ATOM 0 HB3 ASP A 71 73.462 71.696 16.112 1.00 0.00 H new ATOM 1156 N GLU A 72 72.110 72.740 18.980 1.00 0.00 N ATOM 1157 CA GLU A 72 71.160 71.920 19.750 1.00 0.00 C ATOM 1158 C GLU A 72 70.400 72.940 20.680 1.00 0.00 C ATOM 1159 O GLU A 72 69.210 72.780 20.930 1.00 0.00 O ATOM 1160 CB GLU A 72 71.800 70.810 20.620 1.00 0.00 C ATOM 1161 CG GLU A 72 72.450 69.710 19.760 1.00 0.00 C ATOM 1162 CD GLU A 72 73.110 68.660 20.630 1.00 0.00 C ATOM 1163 OE1 GLU A 72 73.210 68.890 21.850 1.00 0.00 O ATOM 1164 OE2 GLU A 72 73.530 67.650 20.040 1.00 0.00 O ATOM 0 H GLU A 72 72.951 73.026 19.482 1.00 0.00 H new ATOM 0 HA GLU A 72 70.521 71.379 19.052 1.00 0.00 H new ATOM 0 HB2 GLU A 72 72.552 71.250 21.275 1.00 0.00 H new ATOM 0 HB3 GLU A 72 71.038 70.367 21.261 1.00 0.00 H new ATOM 0 HG2 GLU A 72 71.694 69.242 19.129 1.00 0.00 H new ATOM 0 HG3 GLU A 72 73.190 70.154 19.094 1.00 0.00 H new ATOM 1171 N LYS A 73 71.040 74.020 21.220 1.00 0.00 N ATOM 1172 CA LYS A 73 70.730 74.790 22.440 1.00 0.00 C ATOM 1173 C LYS A 73 70.590 74.050 23.740 1.00 0.00 C ATOM 1174 O LYS A 73 69.690 74.400 24.510 1.00 0.00 O ATOM 1175 CB LYS A 73 69.480 75.580 22.140 1.00 0.00 C ATOM 1176 CG LYS A 73 69.790 76.760 21.220 1.00 0.00 C ATOM 1177 CD LYS A 73 70.690 77.780 21.930 1.00 0.00 C ATOM 1178 CE LYS A 73 71.000 78.930 20.990 1.00 0.00 C ATOM 1179 NZ LYS A 73 71.940 79.800 21.470 1.00 0.00 N ATOM 0 H LYS A 73 71.865 74.401 20.758 1.00 0.00 H new ATOM 0 HA LYS A 73 71.612 75.399 22.639 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.739 74.932 21.671 1.00 0.00 H new ATOM 0 HB3 LYS A 73 69.042 75.943 23.070 1.00 0.00 H new ATOM 0 HG2 LYS A 73 70.281 76.403 20.315 1.00 0.00 H new ATOM 0 HG3 LYS A 73 68.862 77.240 20.911 1.00 0.00 H new ATOM 0 HD2 LYS A 73 70.196 78.154 22.827 1.00 0.00 H new ATOM 0 HD3 LYS A 73 71.615 77.301 22.252 1.00 0.00 H new ATOM 0 HE2 LYS A 73 71.346 78.526 20.039 1.00 0.00 H new ATOM 0 HE3 LYS A 73 70.080 79.479 20.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 72.486 80.193 20.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 71.469 80.573 21.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 72.581 79.297 22.116 1.00 0.00 H new ATOM 1193 N ASP A 74 71.490 73.060 24.030 1.00 0.00 N ATOM 1194 CA ASP A 74 71.270 72.300 25.330 1.00 0.00 C ATOM 1195 C ASP A 74 72.070 72.870 26.530 1.00 0.00 C ATOM 1196 O ASP A 74 71.680 72.760 27.690 1.00 0.00 O ATOM 1197 CB ASP A 74 71.600 70.790 25.130 1.00 0.00 C ATOM 1198 CG ASP A 74 70.500 69.940 24.510 1.00 0.00 C ATOM 1199 OD1 ASP A 74 69.290 70.280 24.960 1.00 0.00 O ATOM 1200 OD2 ASP A 74 70.840 69.330 23.420 1.00 0.00 O ATOM 0 H ASP A 74 72.291 72.782 23.463 1.00 0.00 H new ATOM 0 HA ASP A 74 70.217 72.423 25.582 1.00 0.00 H new ATOM 0 HB2 ASP A 74 72.488 70.713 24.502 1.00 0.00 H new ATOM 0 HB3 ASP A 74 71.857 70.364 26.100 1.00 0.00 H new ATOM 1205 N PHE A 75 73.210 73.460 26.320 1.00 0.00 N ATOM 1206 CA PHE A 75 74.400 72.800 26.780 1.00 0.00 C ATOM 1207 C PHE A 75 75.310 73.940 27.200 1.00 0.00 C ATOM 1208 O PHE A 75 75.930 74.600 26.360 1.00 0.00 O ATOM 1209 CB PHE A 75 75.100 71.930 25.710 1.00 0.00 C ATOM 1210 CG PHE A 75 76.230 71.110 26.290 1.00 0.00 C ATOM 1211 CD1 PHE A 75 76.640 71.300 27.610 1.00 0.00 C ATOM 1212 CD2 PHE A 75 76.870 70.160 25.500 1.00 0.00 C ATOM 1213 CE1 PHE A 75 77.680 70.550 28.130 1.00 0.00 C ATOM 1214 CE2 PHE A 75 77.900 69.430 26.030 1.00 0.00 C ATOM 1215 CZ PHE A 75 78.320 69.600 27.350 1.00 0.00 C ATOM 0 H PHE A 75 73.343 74.358 25.854 1.00 0.00 H new ATOM 0 HA PHE A 75 74.157 72.097 27.577 1.00 0.00 H new ATOM 0 HB2 PHE A 75 74.369 71.264 25.250 1.00 0.00 H new ATOM 0 HB3 PHE A 75 75.488 72.572 24.919 1.00 0.00 H new ATOM 0 HD1 PHE A 75 76.144 72.034 28.228 1.00 0.00 H new ATOM 0 HD2 PHE A 75 76.557 70.000 24.479 1.00 0.00 H new ATOM 0 HE1 PHE A 75 77.995 70.706 29.151 1.00 0.00 H new ATOM 0 HE2 PHE A 75 78.401 68.702 25.409 1.00 0.00 H new ATOM 0 HZ PHE A 75 79.125 69.005 27.754 1.00 0.00 H new ATOM 1225 N LEU A 76 75.340 74.140 28.520 1.00 0.00 N ATOM 1226 CA LEU A 76 75.850 75.320 29.190 1.00 0.00 C ATOM 1227 C LEU A 76 77.040 74.940 29.950 1.00 0.00 C ATOM 1228 O LEU A 76 77.050 73.910 30.590 1.00 0.00 O ATOM 1229 CB LEU A 76 74.830 75.940 30.140 1.00 0.00 C ATOM 1230 CG LEU A 76 73.660 76.590 29.390 1.00 0.00 C ATOM 1231 CD1 LEU A 76 72.640 77.110 30.400 1.00 0.00 C ATOM 1232 CD2 LEU A 76 74.160 77.760 28.550 1.00 0.00 C ATOM 0 H LEU A 76 74.989 73.442 29.176 1.00 0.00 H new ATOM 0 HA LEU A 76 76.081 76.066 28.430 1.00 0.00 H new ATOM 0 HB2 LEU A 76 74.447 75.171 30.811 1.00 0.00 H new ATOM 0 HB3 LEU A 76 75.322 76.689 30.761 1.00 0.00 H new ATOM 0 HG LEU A 76 73.201 75.846 28.739 1.00 0.00 H new ATOM 0 HD11 LEU A 76 71.807 77.573 29.871 1.00 0.00 H new ATOM 0 HD12 LEU A 76 72.271 76.281 31.004 1.00 0.00 H new ATOM 0 HD13 LEU A 76 73.113 77.848 31.048 1.00 0.00 H new ATOM 0 HD21 LEU A 76 73.321 78.214 28.022 1.00 0.00 H new ATOM 0 HD22 LEU A 76 74.624 78.502 29.200 1.00 0.00 H new ATOM 0 HD23 LEU A 76 74.893 77.402 27.827 1.00 0.00 H new ATOM 1244 N TYR A 77 78.070 75.730 29.870 1.00 0.00 N ATOM 1245 CA TYR A 77 79.370 75.460 30.400 1.00 0.00 C ATOM 1246 C TYR A 77 79.590 76.340 31.660 1.00 0.00 C ATOM 1247 O TYR A 77 79.790 77.550 31.550 1.00 0.00 O ATOM 1248 CB TYR A 77 80.450 75.740 29.340 1.00 0.00 C ATOM 1249 CG TYR A 77 81.820 75.280 29.800 1.00 0.00 C ATOM 1250 CD1 TYR A 77 82.150 73.920 29.760 1.00 0.00 C ATOM 1251 CD2 TYR A 77 82.760 76.200 30.260 1.00 0.00 C ATOM 1252 CE1 TYR A 77 83.410 73.500 30.190 1.00 0.00 C ATOM 1253 CE2 TYR A 77 84.020 75.780 30.690 1.00 0.00 C ATOM 1254 CZ TYR A 77 84.340 74.430 30.640 1.00 0.00 C ATOM 1255 OH TYR A 77 85.460 74.090 31.160 1.00 0.00 O ATOM 0 H TYR A 77 78.019 76.636 29.404 1.00 0.00 H new ATOM 0 HA TYR A 77 79.444 74.409 30.678 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.189 75.233 28.411 1.00 0.00 H new ATOM 0 HB3 TYR A 77 80.479 76.808 29.123 1.00 0.00 H new ATOM 0 HD1 TYR A 77 81.433 73.199 29.398 1.00 0.00 H new ATOM 0 HD2 TYR A 77 82.511 77.251 30.284 1.00 0.00 H new ATOM 0 HE1 TYR A 77 83.663 72.450 30.173 1.00 0.00 H new ATOM 0 HE2 TYR A 77 84.738 76.498 31.058 1.00 0.00 H new ATOM 0 HH TYR A 77 86.057 74.866 31.187 1.00 0.00 H new ATOM 1265 N GLU A 78 79.570 75.780 32.850 1.00 0.00 N ATOM 1266 CA GLU A 78 79.650 76.490 34.140 1.00 0.00 C ATOM 1267 C GLU A 78 80.930 76.040 34.810 1.00 0.00 C ATOM 1268 O GLU A 78 81.260 74.840 34.730 1.00 0.00 O ATOM 1269 CB GLU A 78 78.460 76.200 35.060 1.00 0.00 C ATOM 1270 CG GLU A 78 78.530 77.010 36.350 1.00 0.00 C ATOM 1271 CD GLU A 78 77.290 76.800 37.210 1.00 0.00 C ATOM 1272 OE1 GLU A 78 76.420 76.050 36.790 1.00 0.00 O ATOM 1273 OE2 GLU A 78 77.180 77.430 38.260 1.00 0.00 O ATOM 0 H GLU A 78 79.494 74.770 32.967 1.00 0.00 H new ATOM 0 HA GLU A 78 79.634 77.564 33.953 1.00 0.00 H new ATOM 0 HB2 GLU A 78 77.532 76.430 34.537 1.00 0.00 H new ATOM 0 HB3 GLU A 78 78.436 75.137 35.299 1.00 0.00 H new ATOM 0 HG2 GLU A 78 79.418 76.722 36.913 1.00 0.00 H new ATOM 0 HG3 GLU A 78 78.633 78.068 36.111 1.00 0.00 H new ATOM 1280 N LEU A 79 81.660 76.970 35.460 1.00 0.00 N ATOM 1281 CA LEU A 79 82.870 76.610 36.130 1.00 0.00 C ATOM 1282 C LEU A 79 82.680 77.110 37.520 1.00 0.00 C ATOM 1283 O LEU A 79 82.280 78.260 37.670 1.00 0.00 O ATOM 1284 CB LEU A 79 84.120 77.240 35.510 1.00 0.00 C ATOM 1285 CG LEU A 79 84.290 76.880 34.030 1.00 0.00 C ATOM 1286 CD1 LEU A 79 85.240 77.860 33.360 1.00 0.00 C ATOM 1287 CD2 LEU A 79 84.860 75.480 33.880 1.00 0.00 C ATOM 0 H LEU A 79 81.414 77.958 35.520 1.00 0.00 H new ATOM 0 HA LEU A 79 83.040 75.535 36.066 1.00 0.00 H new ATOM 0 HB2 LEU A 79 84.065 78.324 35.612 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.000 76.912 36.063 1.00 0.00 H new ATOM 0 HG LEU A 79 83.308 76.927 33.559 1.00 0.00 H new ATOM 0 HD11 LEU A 79 85.354 77.595 32.309 1.00 0.00 H new ATOM 0 HD12 LEU A 79 84.836 78.869 33.438 1.00 0.00 H new ATOM 0 HD13 LEU A 79 86.212 77.819 33.852 1.00 0.00 H new ATOM 0 HD21 LEU A 79 84.973 75.244 32.822 1.00 0.00 H new ATOM 0 HD22 LEU A 79 85.833 75.429 34.369 1.00 0.00 H new ATOM 0 HD23 LEU A 79 84.184 74.760 34.342 1.00 0.00 H new ATOM 1299 N HIS A 80 83.000 76.300 38.550 1.00 0.00 N ATOM 1300 CA HIS A 80 82.890 76.620 39.980 1.00 0.00 C ATOM 1301 C HIS A 80 84.180 76.760 40.660 1.00 0.00 C ATOM 1302 O HIS A 80 84.970 75.820 40.680 1.00 0.00 O ATOM 1303 CB HIS A 80 82.060 75.560 40.680 1.00 0.00 C ATOM 1304 CG HIS A 80 80.630 75.530 40.210 1.00 0.00 C ATOM 1305 ND1 HIS A 80 80.150 74.600 39.310 1.00 0.00 N ATOM 1306 CD2 HIS A 80 79.590 76.340 40.530 1.00 0.00 C ATOM 1307 CE1 HIS A 80 78.860 74.850 39.100 1.00 0.00 C ATOM 1308 NE2 HIS A 80 78.510 75.900 39.830 1.00 0.00 N ATOM 0 H HIS A 80 83.360 75.358 38.394 1.00 0.00 H new ATOM 0 HA HIS A 80 82.405 77.595 40.037 1.00 0.00 H new ATOM 0 HB2 HIS A 80 82.513 74.583 40.513 1.00 0.00 H new ATOM 0 HB3 HIS A 80 82.080 75.741 41.755 1.00 0.00 H new ATOM 0 HD1 HIS A 80 80.691 73.850 38.880 1.00 0.00 H new ATOM 0 HD2 HIS A 80 79.615 77.177 41.212 1.00 0.00 H new ATOM 0 HE1 HIS A 80 78.208 74.291 38.445 1.00 0.00 H new ATOM 1316 N ILE A 81 84.350 77.960 41.210 1.00 0.00 N ATOM 1317 CA ILE A 81 85.680 78.390 41.670 1.00 0.00 C ATOM 1318 C ILE A 81 86.910 78.070 40.800 1.00 0.00 C ATOM 1319 O ILE A 81 87.860 77.490 41.310 1.00 0.00 O ATOM 1320 CB ILE A 81 85.850 77.820 43.090 1.00 0.00 C ATOM 1321 CG1 ILE A 81 84.790 78.400 44.030 1.00 0.00 C ATOM 1322 CG2 ILE A 81 87.230 78.190 43.660 1.00 0.00 C ATOM 1323 CD1 ILE A 81 84.890 79.920 44.130 1.00 0.00 C ATOM 0 H ILE A 81 83.605 78.643 41.349 1.00 0.00 H new ATOM 0 HA ILE A 81 85.673 79.479 41.614 1.00 0.00 H new ATOM 0 HB ILE A 81 85.747 76.737 43.022 1.00 0.00 H new ATOM 0 HG12 ILE A 81 83.798 78.124 43.673 1.00 0.00 H new ATOM 0 HG13 ILE A 81 84.905 77.962 45.022 1.00 0.00 H new ATOM 0 HG21 ILE A 81 87.331 77.778 44.664 1.00 0.00 H new ATOM 0 HG22 ILE A 81 88.010 77.780 43.019 1.00 0.00 H new ATOM 0 HG23 ILE A 81 87.328 79.275 43.701 1.00 0.00 H new ATOM 0 HD11 ILE A 81 84.120 80.292 44.807 1.00 0.00 H new ATOM 0 HD12 ILE A 81 85.873 80.196 44.512 1.00 0.00 H new ATOM 0 HD13 ILE A 81 84.748 80.360 43.143 1.00 0.00 H new ATOM 1335 N ILE A 82 86.900 78.440 39.490 1.00 0.00 N ATOM 1336 CA ILE A 82 87.860 77.930 38.430 1.00 0.00 C ATOM 1337 C ILE A 82 89.390 77.930 38.760 1.00 0.00 C ATOM 1338 O ILE A 82 90.150 77.500 37.930 1.00 0.00 O ATOM 1339 CB ILE A 82 87.550 78.700 37.130 1.00 0.00 C ATOM 1340 CG1 ILE A 82 88.320 78.110 35.940 1.00 0.00 C ATOM 1341 CG2 ILE A 82 87.950 80.170 37.290 1.00 0.00 C ATOM 1342 CD1 ILE A 82 87.860 78.710 34.620 1.00 0.00 C ATOM 1343 OXT ILE A 82 89.910 78.350 39.770 1.00 0.00 O ATOM 0 H ILE A 82 86.223 79.108 39.120 1.00 0.00 H new ATOM 0 HA ILE A 82 87.675 76.859 38.345 1.00 0.00 H new ATOM 0 HB ILE A 82 86.480 78.615 36.939 1.00 0.00 H new ATOM 0 HG12 ILE A 82 89.387 78.292 36.070 1.00 0.00 H new ATOM 0 HG13 ILE A 82 88.181 77.029 35.917 1.00 0.00 H new ATOM 0 HG21 ILE A 82 87.729 80.710 36.369 1.00 0.00 H new ATOM 0 HG22 ILE A 82 87.389 80.612 38.113 1.00 0.00 H new ATOM 0 HG23 ILE A 82 89.017 80.236 37.502 1.00 0.00 H new ATOM 0 HD11 ILE A 82 88.428 78.268 33.802 1.00 0.00 H new ATOM 0 HD12 ILE A 82 86.799 78.505 34.477 1.00 0.00 H new ATOM 0 HD13 ILE A 82 88.023 79.788 34.634 1.00 0.00 H new