USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 TYR OH : rot 180:sc= 0.19 USER MOD Set 1.2: A 57 LYS NZ :NH3+ -133:sc= 0.596 (180deg=0) USER MOD Set 2.1: A 47 MET CE :methyl -150:sc= -0.216 (180deg=-0.246) USER MOD Set 2.2: A 73 LYS NZ :NH3+ -169:sc= -0.417 (180deg=-0.634) 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= -0.154 K(o=-0.15,f=-1.3) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00887 USER MOD Single : A 18 SER OG : rot -30:sc= 0.0598 USER MOD Single : A 26 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 29 SER OG : rot -25:sc= 0.634 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 166:sc= -0.0271 USER MOD Single : A 41 THR OG1 : rot -97:sc= 1.23 USER MOD Single : A 42 ASN : amide:sc= -0.0285 K(o=-0.028,f=-1.7!) USER MOD Single : A 44 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.49) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -2.96 F(o=-3.7,f=-3) USER MOD Single : A 60 THR OG1 : rot 22:sc= 0.708 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 90:sc= 0.879 USER MOD Single : A 70 THR OG1 : rot -170:sc= 0.102 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 80 HIS : no HE2:sc= -5.78 K(o=-5.8,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 80.820 66.760 37.420 1.00 0.00 N ATOM 49 CA LYS A 4 81.080 68.130 37.030 1.00 0.00 C ATOM 50 C LYS A 4 79.920 68.790 36.310 1.00 0.00 C ATOM 51 O LYS A 4 80.140 69.810 35.670 1.00 0.00 O ATOM 52 CB LYS A 4 82.320 68.120 36.160 1.00 0.00 C ATOM 53 CG LYS A 4 83.570 67.840 36.980 1.00 0.00 C ATOM 54 CD LYS A 4 84.800 67.850 36.080 1.00 0.00 C ATOM 55 CE LYS A 4 86.060 67.590 36.900 1.00 0.00 C ATOM 56 NZ LYS A 4 87.260 67.670 36.050 1.00 0.00 N ATOM 0 HA LYS A 4 81.225 68.727 37.930 1.00 0.00 H new ATOM 0 HB2 LYS A 4 82.215 67.363 35.383 1.00 0.00 H new ATOM 0 HB3 LYS A 4 82.421 69.081 35.656 1.00 0.00 H new ATOM 0 HG2 LYS A 4 83.677 68.591 37.763 1.00 0.00 H new ATOM 0 HG3 LYS A 4 83.480 66.873 37.476 1.00 0.00 H new ATOM 0 HD2 LYS A 4 84.699 67.089 35.306 1.00 0.00 H new ATOM 0 HD3 LYS A 4 84.880 68.812 35.573 1.00 0.00 H new ATOM 0 HE2 LYS A 4 86.131 68.319 37.708 1.00 0.00 H new ATOM 0 HE3 LYS A 4 86.002 66.605 37.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 88.107 67.490 36.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 87.198 66.958 35.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 87.324 68.618 35.628 1.00 0.00 H new ATOM 70 N LEU A 5 78.730 68.230 36.230 1.00 0.00 N ATOM 71 CA LEU A 5 77.730 68.740 35.300 1.00 0.00 C ATOM 72 C LEU A 5 76.430 68.780 36.080 1.00 0.00 C ATOM 73 O LEU A 5 76.220 67.990 36.990 1.00 0.00 O ATOM 74 CB LEU A 5 77.560 67.870 34.050 1.00 0.00 C ATOM 75 CG LEU A 5 78.800 67.800 33.160 1.00 0.00 C ATOM 76 CD1 LEU A 5 79.840 66.920 33.790 1.00 0.00 C ATOM 77 CD2 LEU A 5 78.490 67.250 31.780 1.00 0.00 C ATOM 0 H LEU A 5 78.429 67.431 36.788 1.00 0.00 H new ATOM 0 HA LEU A 5 78.040 69.718 34.931 1.00 0.00 H new ATOM 0 HB2 LEU A 5 77.291 66.860 34.358 1.00 0.00 H new ATOM 0 HB3 LEU A 5 76.727 68.257 33.463 1.00 0.00 H new ATOM 0 HG LEU A 5 79.165 68.822 33.055 1.00 0.00 H new ATOM 0 HD11 LEU A 5 80.719 66.878 33.147 1.00 0.00 H new ATOM 0 HD12 LEU A 5 80.121 67.327 34.762 1.00 0.00 H new ATOM 0 HD13 LEU A 5 79.437 65.916 33.920 1.00 0.00 H new ATOM 0 HD21 LEU A 5 79.404 67.220 31.186 1.00 0.00 H new ATOM 0 HD22 LEU A 5 78.085 66.242 31.873 1.00 0.00 H new ATOM 0 HD23 LEU A 5 77.759 67.892 31.288 1.00 0.00 H new ATOM 89 N VAL A 6 75.570 69.690 35.670 1.00 0.00 N ATOM 90 CA VAL A 6 74.310 69.960 36.340 1.00 0.00 C ATOM 91 C VAL A 6 73.180 70.000 35.330 1.00 0.00 C ATOM 92 O VAL A 6 73.210 70.720 34.330 1.00 0.00 O ATOM 93 CB VAL A 6 74.380 71.260 37.150 1.00 0.00 C ATOM 94 CG1 VAL A 6 72.990 71.600 37.680 1.00 0.00 C ATOM 95 CG2 VAL A 6 75.320 71.040 38.340 1.00 0.00 C ATOM 0 H VAL A 6 75.728 70.273 34.848 1.00 0.00 H new ATOM 0 HA VAL A 6 74.113 69.151 37.044 1.00 0.00 H new ATOM 0 HB VAL A 6 74.743 72.072 36.520 1.00 0.00 H new ATOM 0 HG11 VAL A 6 73.036 72.524 38.256 1.00 0.00 H new ATOM 0 HG12 VAL A 6 72.303 71.728 36.844 1.00 0.00 H new ATOM 0 HG13 VAL A 6 72.636 70.791 38.319 1.00 0.00 H new ATOM 0 HG21 VAL A 6 75.382 71.955 38.928 1.00 0.00 H new ATOM 0 HG22 VAL A 6 74.935 70.233 38.964 1.00 0.00 H new ATOM 0 HG23 VAL A 6 76.312 70.775 37.976 1.00 0.00 H new ATOM 105 N LEU A 7 72.140 69.210 35.520 1.00 0.00 N ATOM 106 CA LEU A 7 71.040 69.150 34.580 1.00 0.00 C ATOM 107 C LEU A 7 69.920 70.040 35.090 1.00 0.00 C ATOM 108 O LEU A 7 69.680 70.210 36.280 1.00 0.00 O ATOM 109 CB LEU A 7 70.550 67.710 34.370 1.00 0.00 C ATOM 110 CG LEU A 7 71.600 66.780 33.770 1.00 0.00 C ATOM 111 CD1 LEU A 7 71.080 65.350 33.730 1.00 0.00 C ATOM 112 CD2 LEU A 7 71.940 67.220 32.380 1.00 0.00 C ATOM 0 H LEU A 7 72.035 68.595 36.327 1.00 0.00 H new ATOM 0 HA LEU A 7 71.380 69.506 33.608 1.00 0.00 H new ATOM 0 HB2 LEU A 7 70.225 67.304 35.328 1.00 0.00 H new ATOM 0 HB3 LEU A 7 69.677 67.725 33.717 1.00 0.00 H new ATOM 0 HG LEU A 7 72.493 66.820 34.394 1.00 0.00 H new ATOM 0 HD11 LEU A 7 71.840 64.698 33.299 1.00 0.00 H new ATOM 0 HD12 LEU A 7 70.849 65.018 34.742 1.00 0.00 H new ATOM 0 HD13 LEU A 7 70.178 65.308 33.120 1.00 0.00 H new ATOM 0 HD21 LEU A 7 72.690 66.550 31.960 1.00 0.00 H new ATOM 0 HD22 LEU A 7 71.043 67.195 31.761 1.00 0.00 H new ATOM 0 HD23 LEU A 7 72.334 68.236 32.406 1.00 0.00 H new ATOM 124 N ALA A 8 69.190 70.580 34.120 1.00 0.00 N ATOM 125 CA ALA A 8 67.930 71.250 34.220 1.00 0.00 C ATOM 126 C ALA A 8 66.760 70.350 34.470 1.00 0.00 C ATOM 127 O ALA A 8 66.640 69.250 33.920 1.00 0.00 O ATOM 128 CB ALA A 8 67.690 71.960 32.920 1.00 0.00 C ATOM 0 H ALA A 8 69.513 70.547 33.153 1.00 0.00 H new ATOM 0 HA ALA A 8 67.998 71.917 35.080 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.735 72.483 32.962 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.490 72.679 32.745 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.671 71.234 32.107 1.00 0.00 H new ATOM 134 N LYS A 9 65.810 70.890 35.250 1.00 0.00 N ATOM 135 CA LYS A 9 64.700 70.070 35.580 1.00 0.00 C ATOM 136 C LYS A 9 63.620 70.040 34.530 1.00 0.00 C ATOM 137 O LYS A 9 62.830 69.130 34.550 1.00 0.00 O ATOM 138 CB LYS A 9 64.150 70.530 36.910 1.00 0.00 C ATOM 139 CG LYS A 9 63.620 71.970 36.840 1.00 0.00 C ATOM 140 CD LYS A 9 63.080 72.380 38.210 1.00 0.00 C ATOM 141 CE LYS A 9 62.560 73.810 38.170 1.00 0.00 C ATOM 142 NZ LYS A 9 62.040 74.210 39.490 1.00 0.00 N ATOM 0 H LYS A 9 65.807 71.836 35.631 1.00 0.00 H new ATOM 0 HA LYS A 9 65.056 69.041 35.639 1.00 0.00 H new ATOM 0 HB2 LYS A 9 63.347 69.862 37.222 1.00 0.00 H new ATOM 0 HB3 LYS A 9 64.931 70.466 37.668 1.00 0.00 H new ATOM 0 HG2 LYS A 9 64.417 72.648 36.533 1.00 0.00 H new ATOM 0 HG3 LYS A 9 62.833 72.043 36.090 1.00 0.00 H new ATOM 0 HD2 LYS A 9 62.279 71.704 38.510 1.00 0.00 H new ATOM 0 HD3 LYS A 9 63.867 72.294 38.959 1.00 0.00 H new ATOM 0 HE2 LYS A 9 63.361 74.486 37.869 1.00 0.00 H new ATOM 0 HE3 LYS A 9 61.772 73.895 37.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 61.690 75.188 39.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 61.262 73.576 39.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 62.801 74.148 40.196 1.00 0.00 H new ATOM 156 N ASN A 10 63.560 71.050 33.640 1.00 0.00 N ATOM 157 CA ASN A 10 62.360 71.260 32.830 1.00 0.00 C ATOM 158 C ASN A 10 62.250 70.040 31.950 1.00 0.00 C ATOM 159 O ASN A 10 61.210 69.450 31.800 1.00 0.00 O ATOM 160 CB ASN A 10 62.410 72.530 31.960 1.00 0.00 C ATOM 161 CG ASN A 10 62.370 73.810 32.760 1.00 0.00 C ATOM 162 OD1 ASN A 10 62.130 73.800 33.950 1.00 0.00 O ATOM 163 ND2 ASN A 10 62.630 74.940 32.170 1.00 0.00 N ATOM 0 H ASN A 10 64.314 71.716 33.471 1.00 0.00 H new ATOM 0 HA ASN A 10 61.501 71.401 33.485 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.320 72.514 31.360 1.00 0.00 H new ATOM 0 HB3 ASN A 10 61.570 72.518 31.266 1.00 0.00 H new ATOM 0 HD21 ASN A 10 62.631 75.807 32.707 1.00 0.00 H new ATOM 0 HD22 ASN A 10 62.833 74.959 31.171 1.00 0.00 H new ATOM 170 N THR A 11 63.370 69.560 31.420 1.00 0.00 N ATOM 171 CA THR A 11 63.350 68.450 30.510 1.00 0.00 C ATOM 172 C THR A 11 63.080 67.110 31.140 1.00 0.00 C ATOM 173 O THR A 11 62.320 66.350 30.600 1.00 0.00 O ATOM 174 CB THR A 11 64.690 68.410 29.830 1.00 0.00 C ATOM 175 OG1 THR A 11 65.750 68.340 30.770 1.00 0.00 O ATOM 176 CG2 THR A 11 64.790 69.720 29.080 1.00 0.00 C ATOM 0 H THR A 11 64.300 69.932 31.614 1.00 0.00 H new ATOM 0 HA THR A 11 62.519 68.614 29.823 1.00 0.00 H new ATOM 0 HB THR A 11 64.771 67.534 29.187 1.00 0.00 H new ATOM 0 HG1 THR A 11 66.607 68.314 30.295 1.00 0.00 H new ATOM 0 HG21 THR A 11 65.744 69.767 28.556 1.00 0.00 H new ATOM 0 HG22 THR A 11 63.976 69.789 28.359 1.00 0.00 H new ATOM 0 HG23 THR A 11 64.722 70.549 29.785 1.00 0.00 H new ATOM 285 N SER A 18 68.010 72.090 41.380 1.00 0.00 N ATOM 286 CA SER A 18 68.420 72.580 42.710 1.00 0.00 C ATOM 287 C SER A 18 69.890 72.310 43.080 1.00 0.00 C ATOM 288 O SER A 18 70.470 72.930 43.960 1.00 0.00 O ATOM 289 CB SER A 18 67.520 71.960 43.780 1.00 0.00 C ATOM 290 OG SER A 18 67.670 70.560 43.790 1.00 0.00 O ATOM 0 HA SER A 18 68.315 73.664 42.664 1.00 0.00 H new ATOM 0 HB2 SER A 18 67.773 72.367 44.759 1.00 0.00 H new ATOM 0 HB3 SER A 18 66.479 72.220 43.586 1.00 0.00 H new ATOM 0 HG SER A 18 67.892 70.248 42.888 1.00 0.00 H new ATOM 296 N VAL A 19 70.440 71.400 42.300 1.00 0.00 N ATOM 297 CA VAL A 19 71.740 70.760 42.390 1.00 0.00 C ATOM 298 C VAL A 19 72.840 71.730 42.170 1.00 0.00 C ATOM 299 O VAL A 19 73.840 71.710 42.870 1.00 0.00 O ATOM 300 CB VAL A 19 71.830 69.680 41.330 1.00 0.00 C ATOM 301 CG1 VAL A 19 73.250 69.160 41.220 1.00 0.00 C ATOM 302 CG2 VAL A 19 70.830 68.590 41.720 1.00 0.00 C ATOM 0 H VAL A 19 69.925 71.050 41.492 1.00 0.00 H new ATOM 0 HA VAL A 19 71.844 70.339 43.390 1.00 0.00 H new ATOM 0 HB VAL A 19 71.579 70.065 40.341 1.00 0.00 H new ATOM 0 HG11 VAL A 19 73.296 68.386 40.454 1.00 0.00 H new ATOM 0 HG12 VAL A 19 73.917 69.978 40.949 1.00 0.00 H new ATOM 0 HG13 VAL A 19 73.560 68.742 42.178 1.00 0.00 H new ATOM 0 HG21 VAL A 19 70.860 67.788 40.982 1.00 0.00 H new ATOM 0 HG22 VAL A 19 71.091 68.191 42.700 1.00 0.00 H new ATOM 0 HG23 VAL A 19 69.826 69.013 41.756 1.00 0.00 H new ATOM 312 N GLU A 20 72.620 72.600 41.210 1.00 0.00 N ATOM 313 CA GLU A 20 73.590 73.590 40.870 1.00 0.00 C ATOM 314 C GLU A 20 73.790 74.440 42.090 1.00 0.00 C ATOM 315 O GLU A 20 74.900 74.700 42.510 1.00 0.00 O ATOM 316 CB GLU A 20 73.070 74.430 39.730 1.00 0.00 C ATOM 317 CG GLU A 20 74.100 75.420 39.350 1.00 0.00 C ATOM 318 CD GLU A 20 75.360 74.860 38.770 1.00 0.00 C ATOM 319 OE1 GLU A 20 75.410 73.660 38.600 1.00 0.00 O ATOM 320 OE2 GLU A 20 76.200 75.650 38.400 1.00 0.00 O ATOM 0 H GLU A 20 71.767 72.633 40.652 1.00 0.00 H new ATOM 0 HA GLU A 20 74.531 73.136 40.558 1.00 0.00 H new ATOM 0 HB2 GLU A 20 72.825 73.797 38.878 1.00 0.00 H new ATOM 0 HB3 GLU A 20 72.151 74.937 40.025 1.00 0.00 H new ATOM 0 HG2 GLU A 20 73.665 76.109 38.627 1.00 0.00 H new ATOM 0 HG3 GLU A 20 74.358 76.005 40.233 1.00 0.00 H new ATOM 327 N LEU A 21 72.680 74.820 42.710 1.00 0.00 N ATOM 328 CA LEU A 21 72.680 75.700 43.880 1.00 0.00 C ATOM 329 C LEU A 21 73.470 75.060 45.030 1.00 0.00 C ATOM 330 O LEU A 21 74.300 75.720 45.620 1.00 0.00 O ATOM 331 CB LEU A 21 71.250 76.040 44.300 1.00 0.00 C ATOM 332 CG LEU A 21 70.470 76.840 43.250 1.00 0.00 C ATOM 333 CD1 LEU A 21 69.020 77.030 43.690 1.00 0.00 C ATOM 334 CD2 LEU A 21 71.100 78.210 43.050 1.00 0.00 C ATOM 0 H LEU A 21 71.748 74.527 42.417 1.00 0.00 H new ATOM 0 HA LEU A 21 73.174 76.635 43.616 1.00 0.00 H new ATOM 0 HB2 LEU A 21 70.713 75.115 44.511 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.280 76.610 45.229 1.00 0.00 H new ATOM 0 HG LEU A 21 70.500 76.281 42.315 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.482 77.600 42.933 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.547 76.056 43.815 1.00 0.00 H new ATOM 0 HD13 LEU A 21 68.995 77.570 44.636 1.00 0.00 H new ATOM 0 HD21 LEU A 21 70.534 78.765 42.302 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.088 78.757 43.993 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.129 78.091 42.712 1.00 0.00 H new ATOM 346 N GLU A 22 73.220 73.840 45.400 1.00 0.00 N ATOM 347 CA GLU A 22 73.990 73.110 46.430 1.00 0.00 C ATOM 348 C GLU A 22 75.460 72.850 46.060 1.00 0.00 C ATOM 349 O GLU A 22 76.330 73.040 46.900 1.00 0.00 O ATOM 350 CB GLU A 22 73.300 71.800 46.730 1.00 0.00 C ATOM 351 CG GLU A 22 71.950 72.020 47.410 1.00 0.00 C ATOM 352 CD GLU A 22 71.220 70.690 47.630 1.00 0.00 C ATOM 353 OE1 GLU A 22 71.770 69.640 47.240 1.00 0.00 O ATOM 354 OE2 GLU A 22 70.060 70.770 48.100 1.00 0.00 O ATOM 0 H GLU A 22 72.461 73.288 45.000 1.00 0.00 H new ATOM 0 HA GLU A 22 74.016 73.755 47.308 1.00 0.00 H new ATOM 0 HB2 GLU A 22 73.155 71.244 45.804 1.00 0.00 H new ATOM 0 HB3 GLU A 22 73.937 71.191 47.372 1.00 0.00 H new ATOM 0 HG2 GLU A 22 72.099 72.520 48.367 1.00 0.00 H new ATOM 0 HG3 GLU A 22 71.334 72.680 46.798 1.00 0.00 H new ATOM 361 N ASP A 23 75.720 72.500 44.790 1.00 0.00 N ATOM 362 CA ASP A 23 77.070 72.190 44.310 1.00 0.00 C ATOM 363 C ASP A 23 77.900 73.400 44.260 1.00 0.00 C ATOM 364 O ASP A 23 79.050 73.330 44.580 1.00 0.00 O ATOM 365 CB ASP A 23 77.050 71.570 42.920 1.00 0.00 C ATOM 366 CG ASP A 23 76.500 70.190 42.960 1.00 0.00 C ATOM 367 OD1 ASP A 23 76.450 69.760 44.250 1.00 0.00 O ATOM 368 OD2 ASP A 23 76.270 69.570 42.020 1.00 0.00 O ATOM 0 H ASP A 23 75.000 72.425 44.071 1.00 0.00 H new ATOM 0 HA ASP A 23 77.490 71.474 45.016 1.00 0.00 H new ATOM 0 HB2 ASP A 23 76.448 72.186 42.252 1.00 0.00 H new ATOM 0 HB3 ASP A 23 78.061 71.551 42.512 1.00 0.00 H new ATOM 373 N LEU A 24 77.290 74.560 43.960 1.00 0.00 N ATOM 374 CA LEU A 24 78.000 75.810 44.010 1.00 0.00 C ATOM 375 C LEU A 24 78.740 75.940 45.320 1.00 0.00 C ATOM 376 O LEU A 24 79.960 76.070 45.350 1.00 0.00 O ATOM 377 CB LEU A 24 77.000 76.970 43.860 1.00 0.00 C ATOM 378 CG LEU A 24 77.030 77.580 42.460 1.00 0.00 C ATOM 379 CD1 LEU A 24 76.680 76.540 41.440 1.00 0.00 C ATOM 380 CD2 LEU A 24 76.020 78.730 42.370 1.00 0.00 C ATOM 0 H LEU A 24 76.311 74.638 43.684 1.00 0.00 H new ATOM 0 HA LEU A 24 78.724 75.842 43.196 1.00 0.00 H new ATOM 0 HB2 LEU A 24 75.994 76.611 44.076 1.00 0.00 H new ATOM 0 HB3 LEU A 24 77.228 77.741 44.596 1.00 0.00 H new ATOM 0 HG LEU A 24 78.034 77.958 42.265 1.00 0.00 H new ATOM 0 HD11 LEU A 24 76.704 76.984 40.445 1.00 0.00 H new ATOM 0 HD12 LEU A 24 77.401 75.724 41.491 1.00 0.00 H new ATOM 0 HD13 LEU A 24 75.680 76.155 41.641 1.00 0.00 H new ATOM 0 HD21 LEU A 24 76.047 79.160 41.369 1.00 0.00 H new ATOM 0 HD22 LEU A 24 75.019 78.352 42.576 1.00 0.00 H new ATOM 0 HD23 LEU A 24 76.275 79.497 43.101 1.00 0.00 H new ATOM 392 N TYR A 25 77.950 75.910 46.390 1.00 0.00 N ATOM 393 CA TYR A 25 78.450 76.180 47.720 1.00 0.00 C ATOM 394 C TYR A 25 79.450 75.120 48.080 1.00 0.00 C ATOM 395 O TYR A 25 80.530 75.430 48.560 1.00 0.00 O ATOM 396 CB TYR A 25 77.320 76.210 48.750 1.00 0.00 C ATOM 397 CG TYR A 25 76.500 77.470 48.660 1.00 0.00 C ATOM 398 CD1 TYR A 25 75.510 77.600 47.690 1.00 0.00 C ATOM 399 CD2 TYR A 25 76.690 78.520 49.560 1.00 0.00 C ATOM 400 CE1 TYR A 25 74.680 78.730 47.620 1.00 0.00 C ATOM 401 CE2 TYR A 25 75.900 79.680 49.490 1.00 0.00 C ATOM 402 CZ TYR A 25 74.900 79.790 48.510 1.00 0.00 C ATOM 403 OH TYR A 25 74.140 80.910 48.420 1.00 0.00 O ATOM 0 H TYR A 25 76.953 75.699 46.353 1.00 0.00 H new ATOM 0 HA TYR A 25 78.921 77.163 47.727 1.00 0.00 H new ATOM 0 HB2 TYR A 25 76.672 75.346 48.601 1.00 0.00 H new ATOM 0 HB3 TYR A 25 77.741 76.124 49.752 1.00 0.00 H new ATOM 0 HD1 TYR A 25 75.376 76.807 46.969 1.00 0.00 H new ATOM 0 HD2 TYR A 25 77.454 78.440 50.320 1.00 0.00 H new ATOM 0 HE1 TYR A 25 73.884 78.782 46.892 1.00 0.00 H new ATOM 0 HE2 TYR A 25 76.062 80.487 50.190 1.00 0.00 H new ATOM 0 HH TYR A 25 74.417 81.550 49.109 1.00 0.00 H new ATOM 413 N HIS A 26 79.020 73.850 47.840 1.00 0.00 N ATOM 414 CA HIS A 26 79.760 72.770 48.340 1.00 0.00 C ATOM 415 C HIS A 26 81.060 72.540 47.590 1.00 0.00 C ATOM 416 O HIS A 26 82.100 72.350 48.190 1.00 0.00 O ATOM 417 CB HIS A 26 78.930 71.480 48.340 1.00 0.00 C ATOM 418 CG HIS A 26 77.710 71.490 49.210 1.00 0.00 C ATOM 419 ND1 HIS A 26 76.720 70.520 49.150 1.00 0.00 N ATOM 420 CD2 HIS A 26 77.340 72.420 50.130 1.00 0.00 C ATOM 421 CE1 HIS A 26 75.760 70.900 49.980 1.00 0.00 C ATOM 422 NE2 HIS A 26 76.110 72.040 50.600 1.00 0.00 N ATOM 0 H HIS A 26 78.182 73.603 47.313 1.00 0.00 H new ATOM 0 HA HIS A 26 80.017 73.037 49.365 1.00 0.00 H new ATOM 0 HB2 HIS A 26 78.621 71.269 47.316 1.00 0.00 H new ATOM 0 HB3 HIS A 26 79.572 70.657 48.656 1.00 0.00 H new ATOM 0 HD2 HIS A 26 77.905 73.289 50.432 1.00 0.00 H new ATOM 0 HE1 HIS A 26 74.831 70.371 50.136 1.00 0.00 H new ATOM 0 HE2 HIS A 26 75.557 72.536 51.299 1.00 0.00 H new ATOM 430 N GLU A 27 80.990 72.660 46.270 1.00 0.00 N ATOM 431 CA GLU A 27 82.110 72.510 45.380 1.00 0.00 C ATOM 432 C GLU A 27 83.190 73.500 45.670 1.00 0.00 C ATOM 433 O GLU A 27 84.320 73.090 45.780 1.00 0.00 O ATOM 434 CB GLU A 27 81.710 72.520 43.920 1.00 0.00 C ATOM 435 CG GLU A 27 82.880 72.190 43.010 1.00 0.00 C ATOM 436 CD GLU A 27 82.440 72.260 41.540 1.00 0.00 C ATOM 437 OE1 GLU A 27 81.620 71.400 41.160 1.00 0.00 O ATOM 438 OE2 GLU A 27 83.020 73.060 40.770 1.00 0.00 O ATOM 0 H GLU A 27 80.118 72.871 45.784 1.00 0.00 H new ATOM 0 HA GLU A 27 82.520 71.519 45.574 1.00 0.00 H new ATOM 0 HB2 GLU A 27 80.909 71.798 43.758 1.00 0.00 H new ATOM 0 HB3 GLU A 27 81.313 73.501 43.659 1.00 0.00 H new ATOM 0 HG2 GLU A 27 83.697 72.889 43.187 1.00 0.00 H new ATOM 0 HG3 GLU A 27 83.258 71.193 43.238 1.00 0.00 H new ATOM 445 N PHE A 28 82.810 74.750 45.870 1.00 0.00 N ATOM 446 CA PHE A 28 83.620 75.900 46.190 1.00 0.00 C ATOM 447 C PHE A 28 84.350 75.760 47.530 1.00 0.00 C ATOM 448 O PHE A 28 85.510 76.060 47.650 1.00 0.00 O ATOM 449 CB PHE A 28 82.700 77.130 46.200 1.00 0.00 C ATOM 450 CG PHE A 28 83.410 78.380 46.620 1.00 0.00 C ATOM 451 CD1 PHE A 28 83.550 78.690 47.980 1.00 0.00 C ATOM 452 CD2 PHE A 28 84.000 79.210 45.650 1.00 0.00 C ATOM 453 CE1 PHE A 28 84.280 79.820 48.370 1.00 0.00 C ATOM 454 CE2 PHE A 28 84.670 80.380 46.050 1.00 0.00 C ATOM 455 CZ PHE A 28 84.810 80.680 47.400 1.00 0.00 C ATOM 0 H PHE A 28 81.824 75.004 45.804 1.00 0.00 H new ATOM 0 HA PHE A 28 84.402 76.000 45.437 1.00 0.00 H new ATOM 0 HB2 PHE A 28 82.280 77.273 45.204 1.00 0.00 H new ATOM 0 HB3 PHE A 28 81.864 76.948 46.875 1.00 0.00 H new ATOM 0 HD1 PHE A 28 83.095 78.057 48.727 1.00 0.00 H new ATOM 0 HD2 PHE A 28 83.939 78.950 44.603 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.434 80.028 49.419 1.00 0.00 H new ATOM 0 HE2 PHE A 28 85.077 81.048 45.305 1.00 0.00 H new ATOM 0 HZ PHE A 28 85.329 81.578 47.702 1.00 0.00 H new ATOM 465 N SER A 29 83.620 75.350 48.580 1.00 0.00 N ATOM 466 CA SER A 29 84.190 75.090 49.880 1.00 0.00 C ATOM 467 C SER A 29 85.130 73.880 49.880 1.00 0.00 C ATOM 468 O SER A 29 86.160 73.910 50.530 1.00 0.00 O ATOM 469 CB SER A 29 83.030 74.930 50.870 1.00 0.00 C ATOM 470 OG SER A 29 82.260 73.800 50.540 1.00 0.00 O ATOM 0 H SER A 29 82.613 75.193 48.534 1.00 0.00 H new ATOM 0 HA SER A 29 84.821 75.927 50.179 1.00 0.00 H new ATOM 0 HB2 SER A 29 83.419 74.830 51.883 1.00 0.00 H new ATOM 0 HB3 SER A 29 82.404 75.822 50.855 1.00 0.00 H new ATOM 0 HG SER A 29 82.359 73.605 49.585 1.00 0.00 H new ATOM 476 N GLU A 30 84.670 72.790 49.210 1.00 0.00 N ATOM 477 CA GLU A 30 85.320 71.500 49.310 1.00 0.00 C ATOM 478 C GLU A 30 86.430 71.340 48.300 1.00 0.00 C ATOM 479 O GLU A 30 87.390 70.660 48.580 1.00 0.00 O ATOM 480 CB GLU A 30 84.330 70.360 49.100 1.00 0.00 C ATOM 481 CG GLU A 30 83.330 70.320 50.260 1.00 0.00 C ATOM 482 CD GLU A 30 82.330 69.250 50.060 1.00 0.00 C ATOM 483 OE1 GLU A 30 82.540 68.640 49.130 1.00 0.00 O ATOM 484 OE2 GLU A 30 81.410 68.990 50.950 1.00 0.00 O ATOM 0 H GLU A 30 83.851 72.801 48.601 1.00 0.00 H new ATOM 0 HA GLU A 30 85.737 71.457 50.316 1.00 0.00 H new ATOM 0 HB2 GLU A 30 83.801 70.495 48.156 1.00 0.00 H new ATOM 0 HB3 GLU A 30 84.863 69.411 49.034 1.00 0.00 H new ATOM 0 HG2 GLU A 30 83.861 70.156 51.197 1.00 0.00 H new ATOM 0 HG3 GLU A 30 82.826 71.283 50.344 1.00 0.00 H new ATOM 491 N ASP A 31 86.340 71.960 47.110 1.00 0.00 N ATOM 492 CA ASP A 31 87.320 71.850 46.070 1.00 0.00 C ATOM 493 C ASP A 31 87.430 73.110 45.190 1.00 0.00 C ATOM 494 O ASP A 31 86.580 73.960 45.200 1.00 0.00 O ATOM 495 CB ASP A 31 87.050 70.630 45.200 1.00 0.00 C ATOM 496 CG ASP A 31 88.300 70.160 44.510 1.00 0.00 C ATOM 497 OD1 ASP A 31 89.440 70.880 44.600 1.00 0.00 O ATOM 498 OD2 ASP A 31 88.280 69.170 43.950 1.00 0.00 O ATOM 0 H ASP A 31 85.555 72.562 46.861 1.00 0.00 H new ATOM 0 HA ASP A 31 88.279 71.737 46.576 1.00 0.00 H new ATOM 0 HB2 ASP A 31 86.647 69.825 45.815 1.00 0.00 H new ATOM 0 HB3 ASP A 31 86.291 70.873 44.456 1.00 0.00 H new ATOM 503 N LYS A 32 88.470 73.290 44.390 1.00 0.00 N ATOM 504 CA LYS A 32 88.430 74.290 43.300 1.00 0.00 C ATOM 505 C LYS A 32 88.320 73.720 41.870 1.00 0.00 C ATOM 506 O LYS A 32 89.180 72.970 41.400 1.00 0.00 O ATOM 507 CB LYS A 32 89.620 75.200 43.470 1.00 0.00 C ATOM 508 CG LYS A 32 89.620 75.950 44.770 1.00 0.00 C ATOM 509 CD LYS A 32 90.840 76.830 44.880 1.00 0.00 C ATOM 510 CE LYS A 32 90.780 77.690 46.150 1.00 0.00 C ATOM 511 NZ LYS A 32 91.980 78.550 46.250 1.00 0.00 N ATOM 0 H LYS A 32 89.346 72.772 44.461 1.00 0.00 H new ATOM 0 HA LYS A 32 87.496 74.844 43.397 1.00 0.00 H new ATOM 0 HB2 LYS A 32 90.533 74.608 43.401 1.00 0.00 H new ATOM 0 HB3 LYS A 32 89.641 75.915 42.647 1.00 0.00 H new ATOM 0 HG2 LYS A 32 88.719 76.559 44.844 1.00 0.00 H new ATOM 0 HG3 LYS A 32 89.598 75.246 45.602 1.00 0.00 H new ATOM 0 HD2 LYS A 32 91.739 76.213 44.895 1.00 0.00 H new ATOM 0 HD3 LYS A 32 90.910 77.473 44.003 1.00 0.00 H new ATOM 0 HE2 LYS A 32 89.882 78.308 46.136 1.00 0.00 H new ATOM 0 HE3 LYS A 32 90.711 77.048 47.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 91.924 79.125 47.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 92.832 77.955 46.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 92.029 79.175 45.421 1.00 0.00 H new ATOM 525 N ARG A 33 87.250 73.980 41.150 1.00 0.00 N ATOM 526 CA ARG A 33 86.700 72.930 40.260 1.00 0.00 C ATOM 527 C ARG A 33 85.780 73.640 39.260 1.00 0.00 C ATOM 528 O ARG A 33 85.610 74.850 39.310 1.00 0.00 O ATOM 529 CB ARG A 33 85.950 71.860 41.090 1.00 0.00 C ATOM 530 CG ARG A 33 85.450 70.700 40.220 1.00 0.00 C ATOM 531 CD ARG A 33 84.580 69.730 40.990 1.00 0.00 C ATOM 532 NE ARG A 33 85.370 69.040 42.010 1.00 0.00 N ATOM 533 CZ ARG A 33 84.840 68.170 42.850 1.00 0.00 C ATOM 534 NH1 ARG A 33 83.590 67.830 42.750 1.00 0.00 N ATOM 535 NH2 ARG A 33 85.590 67.600 43.750 1.00 0.00 N ATOM 0 H ARG A 33 86.746 74.867 41.147 1.00 0.00 H new ATOM 0 HA ARG A 33 87.488 72.400 39.725 1.00 0.00 H new ATOM 0 HB2 ARG A 33 86.612 71.473 41.864 1.00 0.00 H new ATOM 0 HB3 ARG A 33 85.104 72.323 41.597 1.00 0.00 H new ATOM 0 HG2 ARG A 33 84.885 71.099 39.378 1.00 0.00 H new ATOM 0 HG3 ARG A 33 86.305 70.166 39.806 1.00 0.00 H new ATOM 0 HD2 ARG A 33 83.755 70.265 41.460 1.00 0.00 H new ATOM 0 HD3 ARG A 33 84.141 69.003 40.307 1.00 0.00 H new ATOM 0 HE ARG A 33 86.368 69.239 42.075 1.00 0.00 H new ATOM 0 HH11 ARG A 33 83.008 68.236 42.017 1.00 0.00 H new ATOM 0 HH12 ARG A 33 83.191 67.157 43.404 1.00 0.00 H new ATOM 0 HH21 ARG A 33 86.583 67.826 43.804 1.00 0.00 H new ATOM 0 HH22 ARG A 33 85.184 66.927 44.401 1.00 0.00 H new ATOM 549 N SER A 34 85.280 72.940 38.270 1.00 0.00 N ATOM 550 CA SER A 34 84.470 73.590 37.260 1.00 0.00 C ATOM 551 C SER A 34 83.450 72.670 36.700 1.00 0.00 C ATOM 552 O SER A 34 83.650 71.460 36.700 1.00 0.00 O ATOM 553 CB SER A 34 85.400 74.010 36.170 1.00 0.00 C ATOM 554 OG SER A 34 86.040 72.940 35.550 1.00 0.00 O ATOM 0 H SER A 34 85.414 71.937 38.140 1.00 0.00 H new ATOM 0 HA SER A 34 83.940 74.435 37.700 1.00 0.00 H new ATOM 0 HB2 SER A 34 84.842 74.573 35.422 1.00 0.00 H new ATOM 0 HB3 SER A 34 86.151 74.684 36.582 1.00 0.00 H new ATOM 0 HG SER A 34 86.633 73.277 34.846 1.00 0.00 H new ATOM 560 N ILE A 35 82.360 73.290 36.190 1.00 0.00 N ATOM 561 CA ILE A 35 81.220 72.510 35.830 1.00 0.00 C ATOM 562 C ILE A 35 80.640 72.930 34.490 1.00 0.00 C ATOM 563 O ILE A 35 81.000 73.970 33.910 1.00 0.00 O ATOM 564 CB ILE A 35 80.170 72.580 36.930 1.00 0.00 C ATOM 565 CG1 ILE A 35 79.680 74.000 37.140 1.00 0.00 C ATOM 566 CG2 ILE A 35 80.770 72.050 38.220 1.00 0.00 C ATOM 567 CD1 ILE A 35 78.380 74.010 37.910 1.00 0.00 C ATOM 0 H ILE A 35 82.274 74.294 36.034 1.00 0.00 H new ATOM 0 HA ILE A 35 81.545 71.475 35.719 1.00 0.00 H new ATOM 0 HB ILE A 35 79.315 71.973 36.632 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.433 74.573 37.681 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.540 74.488 36.175 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.025 72.096 39.014 1.00 0.00 H new ATOM 0 HG22 ILE A 35 81.084 71.016 38.077 1.00 0.00 H new ATOM 0 HG23 ILE A 35 81.633 72.657 38.496 1.00 0.00 H new ATOM 0 HD11 ILE A 35 78.047 75.039 38.049 1.00 0.00 H new ATOM 0 HD12 ILE A 35 77.624 73.456 37.354 1.00 0.00 H new ATOM 0 HD13 ILE A 35 78.530 73.543 38.883 1.00 0.00 H new ATOM 579 N PHE A 36 79.750 72.130 33.960 1.00 0.00 N ATOM 580 CA PHE A 36 78.900 72.460 32.820 1.00 0.00 C ATOM 581 C PHE A 36 77.450 72.440 33.280 1.00 0.00 C ATOM 582 O PHE A 36 77.030 71.510 33.840 1.00 0.00 O ATOM 583 CB PHE A 36 79.080 71.390 31.740 1.00 0.00 C ATOM 584 CG PHE A 36 80.510 71.220 31.310 1.00 0.00 C ATOM 585 CD1 PHE A 36 81.260 72.310 30.880 1.00 0.00 C ATOM 586 CD2 PHE A 36 81.120 69.960 31.350 1.00 0.00 C ATOM 587 CE1 PHE A 36 82.590 72.120 30.500 1.00 0.00 C ATOM 588 CE2 PHE A 36 82.430 69.810 30.900 1.00 0.00 C ATOM 589 CZ PHE A 36 83.200 70.900 30.550 1.00 0.00 C ATOM 0 H PHE A 36 79.583 71.190 34.318 1.00 0.00 H new ATOM 0 HA PHE A 36 79.165 73.441 32.425 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.704 70.438 32.114 1.00 0.00 H new ATOM 0 HB3 PHE A 36 78.475 71.653 30.872 1.00 0.00 H new ATOM 0 HD1 PHE A 36 80.817 73.294 30.840 1.00 0.00 H new ATOM 0 HD2 PHE A 36 80.576 69.107 31.729 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.158 72.971 30.153 1.00 0.00 H new ATOM 0 HE2 PHE A 36 82.852 68.819 30.823 1.00 0.00 H new ATOM 0 HZ PHE A 36 84.250 70.792 30.323 1.00 0.00 H new ATOM 599 N TYR A 37 76.590 73.330 32.770 1.00 0.00 N ATOM 600 CA TYR A 37 75.170 73.370 33.100 1.00 0.00 C ATOM 601 C TYR A 37 74.470 73.030 31.810 1.00 0.00 C ATOM 602 O TYR A 37 74.630 73.730 30.820 1.00 0.00 O ATOM 603 CB TYR A 37 74.740 74.760 33.600 1.00 0.00 C ATOM 604 CG TYR A 37 73.330 74.800 34.140 1.00 0.00 C ATOM 605 CD1 TYR A 37 72.770 73.680 34.760 1.00 0.00 C ATOM 606 CD2 TYR A 37 72.550 75.960 34.030 1.00 0.00 C ATOM 607 CE1 TYR A 37 71.470 73.680 35.280 1.00 0.00 C ATOM 608 CE2 TYR A 37 71.240 75.980 34.560 1.00 0.00 C ATOM 609 CZ TYR A 37 70.710 74.850 35.190 1.00 0.00 C ATOM 610 OH TYR A 37 69.450 74.880 35.700 1.00 0.00 O ATOM 0 H TYR A 37 76.871 74.052 32.106 1.00 0.00 H new ATOM 0 HA TYR A 37 74.926 72.678 33.906 1.00 0.00 H new ATOM 0 HB2 TYR A 37 75.428 75.085 34.380 1.00 0.00 H new ATOM 0 HB3 TYR A 37 74.827 75.474 32.781 1.00 0.00 H new ATOM 0 HD1 TYR A 37 73.362 72.780 34.841 1.00 0.00 H new ATOM 0 HD2 TYR A 37 72.949 76.836 33.541 1.00 0.00 H new ATOM 0 HE1 TYR A 37 71.062 72.793 35.742 1.00 0.00 H new ATOM 0 HE2 TYR A 37 70.643 76.876 34.478 1.00 0.00 H new ATOM 0 HH TYR A 37 69.144 75.809 35.763 1.00 0.00 H new ATOM 620 N PHE A 38 73.720 71.920 31.830 1.00 0.00 N ATOM 621 CA PHE A 38 72.890 71.480 30.710 1.00 0.00 C ATOM 622 C PHE A 38 71.430 71.770 31.060 1.00 0.00 C ATOM 623 O PHE A 38 70.760 70.990 31.740 1.00 0.00 O ATOM 624 CB PHE A 38 73.100 70.000 30.380 1.00 0.00 C ATOM 625 CG PHE A 38 74.430 69.660 29.820 1.00 0.00 C ATOM 626 CD1 PHE A 38 75.520 69.420 30.660 1.00 0.00 C ATOM 627 CD2 PHE A 38 74.620 69.600 28.440 1.00 0.00 C ATOM 628 CE1 PHE A 38 76.770 69.170 30.080 1.00 0.00 C ATOM 629 CE2 PHE A 38 75.870 69.340 27.890 1.00 0.00 C ATOM 630 CZ PHE A 38 76.960 69.120 28.710 1.00 0.00 C ATOM 0 H PHE A 38 73.675 71.297 32.637 1.00 0.00 H new ATOM 0 HA PHE A 38 73.178 72.028 29.813 1.00 0.00 H new ATOM 0 HB2 PHE A 38 72.946 69.417 31.288 1.00 0.00 H new ATOM 0 HB3 PHE A 38 72.334 69.691 29.669 1.00 0.00 H new ATOM 0 HD1 PHE A 38 75.401 69.427 31.733 1.00 0.00 H new ATOM 0 HD2 PHE A 38 73.777 69.759 27.784 1.00 0.00 H new ATOM 0 HE1 PHE A 38 77.619 69.010 30.728 1.00 0.00 H new ATOM 0 HE2 PHE A 38 75.990 69.310 26.817 1.00 0.00 H new ATOM 0 HZ PHE A 38 77.935 68.914 28.293 1.00 0.00 H new ATOM 640 N ALA A 39 70.990 72.930 30.560 1.00 0.00 N ATOM 641 CA ALA A 39 69.650 73.550 30.670 1.00 0.00 C ATOM 642 C ALA A 39 69.030 74.110 29.390 1.00 0.00 C ATOM 643 O ALA A 39 69.720 74.660 28.550 1.00 0.00 O ATOM 644 CB ALA A 39 69.680 74.620 31.740 1.00 0.00 C ATOM 0 H ALA A 39 71.618 73.521 30.015 1.00 0.00 H new ATOM 0 HA ALA A 39 68.992 72.721 30.929 1.00 0.00 H new ATOM 0 HB1 ALA A 39 68.695 75.079 31.824 1.00 0.00 H new ATOM 0 HB2 ALA A 39 69.954 74.172 32.695 1.00 0.00 H new ATOM 0 HB3 ALA A 39 70.413 75.381 31.473 1.00 0.00 H new ATOM 650 N PRO A 40 67.680 74.030 29.260 1.00 0.00 N ATOM 651 CA PRO A 40 67.190 73.290 28.080 1.00 0.00 C ATOM 652 C PRO A 40 67.480 73.940 26.710 1.00 0.00 C ATOM 653 O PRO A 40 67.440 75.160 26.610 1.00 0.00 O ATOM 654 CB PRO A 40 65.690 73.180 28.350 1.00 0.00 C ATOM 655 CG PRO A 40 65.590 73.150 29.870 1.00 0.00 C ATOM 656 CD PRO A 40 66.620 74.170 30.290 1.00 0.00 C ATOM 0 HA PRO A 40 67.708 72.336 27.981 1.00 0.00 H new ATOM 0 HB2 PRO A 40 65.146 74.026 27.931 1.00 0.00 H new ATOM 0 HB3 PRO A 40 65.269 72.279 27.904 1.00 0.00 H new ATOM 0 HG2 PRO A 40 64.591 73.417 30.216 1.00 0.00 H new ATOM 0 HG3 PRO A 40 65.812 72.161 30.271 1.00 0.00 H new ATOM 0 HD2 PRO A 40 66.205 75.178 30.305 1.00 0.00 H new ATOM 0 HD3 PRO A 40 67.002 73.967 31.290 1.00 0.00 H new ATOM 664 N THR A 41 67.570 73.120 25.650 1.00 0.00 N ATOM 665 CA THR A 41 67.480 73.680 24.280 1.00 0.00 C ATOM 666 C THR A 41 66.120 74.260 23.980 1.00 0.00 C ATOM 667 O THR A 41 65.950 75.350 23.430 1.00 0.00 O ATOM 668 CB THR A 41 67.820 72.620 23.230 1.00 0.00 C ATOM 669 OG1 THR A 41 69.120 72.140 23.430 1.00 0.00 O ATOM 670 CG2 THR A 41 67.680 73.170 21.830 1.00 0.00 C ATOM 0 H THR A 41 67.699 72.110 25.702 1.00 0.00 H new ATOM 0 HA THR A 41 68.209 74.489 24.234 1.00 0.00 H new ATOM 0 HB THR A 41 67.113 71.798 23.343 1.00 0.00 H new ATOM 0 HG1 THR A 41 69.738 72.610 22.832 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.928 72.393 21.107 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.654 73.500 21.670 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.357 74.015 21.702 1.00 0.00 H new ATOM 678 N ASN A 42 65.160 73.500 24.420 1.00 0.00 N ATOM 679 CA ASN A 42 63.750 73.560 24.130 1.00 0.00 C ATOM 680 C ASN A 42 62.980 74.740 24.710 1.00 0.00 C ATOM 681 O ASN A 42 62.110 75.270 24.070 1.00 0.00 O ATOM 682 CB ASN A 42 63.240 72.240 24.680 1.00 0.00 C ATOM 683 CG ASN A 42 63.820 71.080 23.870 1.00 0.00 C ATOM 684 OD1 ASN A 42 64.180 71.280 22.730 1.00 0.00 O ATOM 685 ND2 ASN A 42 63.790 69.860 24.410 1.00 0.00 N ATOM 0 H ASN A 42 65.366 72.736 25.064 1.00 0.00 H new ATOM 0 HA ASN A 42 63.595 73.715 23.062 1.00 0.00 H new ATOM 0 HB2 ASN A 42 63.522 72.140 25.728 1.00 0.00 H new ATOM 0 HB3 ASN A 42 62.151 72.215 24.639 1.00 0.00 H new ATOM 0 HD21 ASN A 42 64.077 69.051 23.859 1.00 0.00 H new ATOM 0 HD22 ASN A 42 63.480 69.736 25.374 1.00 0.00 H new ATOM 692 N ALA A 43 63.290 75.100 25.980 1.00 0.00 N ATOM 693 CA ALA A 43 62.750 76.300 26.520 1.00 0.00 C ATOM 694 C ALA A 43 63.690 77.520 26.630 1.00 0.00 C ATOM 695 O ALA A 43 63.280 78.640 26.520 1.00 0.00 O ATOM 696 CB ALA A 43 62.260 75.900 27.860 1.00 0.00 C ATOM 0 H ALA A 43 63.896 74.571 26.607 1.00 0.00 H new ATOM 0 HA ALA A 43 61.991 76.673 25.832 1.00 0.00 H new ATOM 0 HB1 ALA A 43 61.822 76.764 28.360 1.00 0.00 H new ATOM 0 HB2 ALA A 43 61.505 75.121 27.754 1.00 0.00 H new ATOM 0 HB3 ALA A 43 63.092 75.520 28.453 1.00 0.00 H new ATOM 702 N HIS A 44 64.980 77.280 26.900 1.00 0.00 N ATOM 703 CA HIS A 44 65.940 78.280 27.330 1.00 0.00 C ATOM 704 C HIS A 44 65.680 79.010 28.650 1.00 0.00 C ATOM 705 O HIS A 44 65.940 80.200 28.840 1.00 0.00 O ATOM 706 CB HIS A 44 66.070 79.240 26.190 1.00 0.00 C ATOM 707 CG HIS A 44 66.750 78.710 24.970 1.00 0.00 C ATOM 708 ND1 HIS A 44 68.050 78.220 24.980 1.00 0.00 N ATOM 709 CD2 HIS A 44 66.220 78.570 23.730 1.00 0.00 C ATOM 710 CE1 HIS A 44 68.260 77.750 23.740 1.00 0.00 C ATOM 711 NE2 HIS A 44 67.170 77.930 22.980 1.00 0.00 N ATOM 0 H HIS A 44 65.388 76.349 26.819 1.00 0.00 H new ATOM 0 HA HIS A 44 66.860 77.749 27.572 1.00 0.00 H new ATOM 0 HB2 HIS A 44 65.073 79.579 25.909 1.00 0.00 H new ATOM 0 HB3 HIS A 44 66.618 80.116 26.537 1.00 0.00 H new ATOM 0 HD2 HIS A 44 65.245 78.897 23.400 1.00 0.00 H new ATOM 0 HE1 HIS A 44 69.178 77.291 23.402 1.00 0.00 H new ATOM 0 HE2 HIS A 44 67.066 77.639 22.008 1.00 0.00 H new ATOM 719 N LYS A 45 65.130 78.250 29.620 1.00 0.00 N ATOM 720 CA LYS A 45 64.460 78.860 30.740 1.00 0.00 C ATOM 721 C LYS A 45 65.230 78.590 31.970 1.00 0.00 C ATOM 722 O LYS A 45 65.570 79.550 32.650 1.00 0.00 O ATOM 723 CB LYS A 45 63.050 78.360 30.890 1.00 0.00 C ATOM 724 CG LYS A 45 62.250 79.010 32.020 1.00 0.00 C ATOM 725 CD LYS A 45 60.870 78.400 32.230 1.00 0.00 C ATOM 726 CE LYS A 45 60.120 79.070 33.370 1.00 0.00 C ATOM 727 NZ LYS A 45 58.790 78.460 33.560 1.00 0.00 N ATOM 0 H LYS A 45 65.146 77.230 29.633 1.00 0.00 H new ATOM 0 HA LYS A 45 64.404 79.934 30.562 1.00 0.00 H new ATOM 0 HB2 LYS A 45 62.521 78.522 29.951 1.00 0.00 H new ATOM 0 HB3 LYS A 45 63.078 77.283 31.058 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.817 78.928 32.947 1.00 0.00 H new ATOM 0 HG3 LYS A 45 62.138 80.073 31.808 1.00 0.00 H new ATOM 0 HD2 LYS A 45 60.290 78.490 31.312 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.972 77.335 32.439 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.698 78.984 34.290 1.00 0.00 H new ATOM 0 HE3 LYS A 45 60.009 80.134 33.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 58.299 78.935 34.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 58.233 78.564 32.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.900 77.450 33.782 1.00 0.00 H new ATOM 741 N ASP A 46 65.520 77.310 32.230 1.00 0.00 N ATOM 742 CA ASP A 46 66.410 76.980 33.350 1.00 0.00 C ATOM 743 C ASP A 46 67.750 77.660 33.060 1.00 0.00 C ATOM 744 O ASP A 46 68.350 78.210 33.970 1.00 0.00 O ATOM 745 CB ASP A 46 66.610 75.490 33.580 1.00 0.00 C ATOM 746 CG ASP A 46 65.380 74.730 34.020 1.00 0.00 C ATOM 747 OD1 ASP A 46 64.400 75.570 34.330 1.00 0.00 O ATOM 748 OD2 ASP A 46 65.320 73.570 34.070 1.00 0.00 O ATOM 0 H ASP A 46 65.167 76.512 31.703 1.00 0.00 H new ATOM 0 HA ASP A 46 65.949 77.337 34.271 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.981 75.044 32.657 1.00 0.00 H new ATOM 0 HB3 ASP A 46 67.387 75.357 34.333 1.00 0.00 H new ATOM 753 N MET A 47 68.140 77.700 31.790 1.00 0.00 N ATOM 754 CA MET A 47 69.410 78.290 31.380 1.00 0.00 C ATOM 755 C MET A 47 69.520 79.800 31.590 1.00 0.00 C ATOM 756 O MET A 47 70.530 80.290 32.070 1.00 0.00 O ATOM 757 CB MET A 47 69.620 77.890 29.920 1.00 0.00 C ATOM 758 CG MET A 47 70.960 78.400 29.400 1.00 0.00 C ATOM 759 SD MET A 47 71.140 80.200 29.270 1.00 0.00 S ATOM 760 CE MET A 47 69.980 80.520 27.970 1.00 0.00 C ATOM 0 H MET A 47 67.587 77.326 31.019 1.00 0.00 H new ATOM 0 HA MET A 47 70.201 77.905 32.023 1.00 0.00 H new ATOM 0 HB2 MET A 47 69.579 76.805 29.827 1.00 0.00 H new ATOM 0 HB3 MET A 47 68.812 78.293 29.309 1.00 0.00 H new ATOM 0 HG2 MET A 47 71.746 78.024 30.055 1.00 0.00 H new ATOM 0 HG3 MET A 47 71.132 77.967 28.414 1.00 0.00 H new ATOM 0 HE1 MET A 47 70.303 81.392 27.401 1.00 0.00 H new ATOM 0 HE2 MET A 47 69.926 79.655 27.309 1.00 0.00 H new ATOM 0 HE3 MET A 47 68.996 80.711 28.399 1.00 0.00 H new ATOM 770 N LEU A 48 68.450 80.540 31.220 1.00 0.00 N ATOM 771 CA LEU A 48 68.330 81.970 31.470 1.00 0.00 C ATOM 772 C LEU A 48 68.420 82.260 32.970 1.00 0.00 C ATOM 773 O LEU A 48 69.050 83.210 33.410 1.00 0.00 O ATOM 774 CB LEU A 48 67.030 82.510 30.840 1.00 0.00 C ATOM 775 CG LEU A 48 66.860 84.020 31.070 1.00 0.00 C ATOM 776 CD1 LEU A 48 67.940 84.810 30.360 1.00 0.00 C ATOM 777 CD2 LEU A 48 65.510 84.470 30.530 1.00 0.00 C ATOM 0 H LEU A 48 67.644 80.144 30.735 1.00 0.00 H new ATOM 0 HA LEU A 48 69.161 82.493 30.997 1.00 0.00 H new ATOM 0 HB2 LEU A 48 67.034 82.305 29.769 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.176 81.981 31.263 1.00 0.00 H new ATOM 0 HG LEU A 48 66.930 84.202 32.142 1.00 0.00 H new ATOM 0 HD11 LEU A 48 67.792 85.874 30.542 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.918 84.510 30.737 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.889 84.615 29.289 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.391 85.541 30.694 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.456 84.258 29.462 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.714 83.933 31.047 1.00 0.00 H new ATOM 789 N LYS A 49 67.790 81.410 33.770 1.00 0.00 N ATOM 790 CA LYS A 49 67.880 81.520 35.230 1.00 0.00 C ATOM 791 C LYS A 49 69.270 81.300 35.790 1.00 0.00 C ATOM 792 O LYS A 49 69.600 81.920 36.790 1.00 0.00 O ATOM 793 CB LYS A 49 66.900 80.540 35.840 1.00 0.00 C ATOM 794 CG LYS A 49 65.460 80.990 35.620 1.00 0.00 C ATOM 795 CD LYS A 49 64.480 80.020 36.220 1.00 0.00 C ATOM 796 CE LYS A 49 63.040 80.480 35.980 1.00 0.00 C ATOM 797 NZ LYS A 49 62.090 79.520 36.580 1.00 0.00 N ATOM 0 H LYS A 49 67.212 80.637 33.440 1.00 0.00 H new ATOM 0 HA LYS A 49 67.632 82.548 35.494 1.00 0.00 H new ATOM 0 HB2 LYS A 49 67.047 79.554 35.400 1.00 0.00 H new ATOM 0 HB3 LYS A 49 67.095 80.445 36.908 1.00 0.00 H new ATOM 0 HG2 LYS A 49 65.314 81.976 36.062 1.00 0.00 H new ATOM 0 HG3 LYS A 49 65.268 81.088 34.552 1.00 0.00 H new ATOM 0 HD2 LYS A 49 64.628 79.032 35.785 1.00 0.00 H new ATOM 0 HD3 LYS A 49 64.663 79.927 37.291 1.00 0.00 H new ATOM 0 HE2 LYS A 49 62.890 81.469 36.412 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.852 80.568 34.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 61.116 79.843 36.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 62.224 78.583 36.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 62.260 79.457 37.604 1.00 0.00 H new ATOM 811 N ALA A 50 70.050 80.390 35.230 1.00 0.00 N ATOM 812 CA ALA A 50 71.430 80.130 35.590 1.00 0.00 C ATOM 813 C ALA A 50 72.290 81.370 35.520 1.00 0.00 C ATOM 814 O ALA A 50 73.010 81.640 36.480 1.00 0.00 O ATOM 815 CB ALA A 50 71.990 79.100 34.630 1.00 0.00 C ATOM 0 H ALA A 50 69.721 79.786 34.477 1.00 0.00 H new ATOM 0 HA ALA A 50 71.445 79.774 36.620 1.00 0.00 H new ATOM 0 HB1 ALA A 50 73.029 78.891 34.886 1.00 0.00 H new ATOM 0 HB2 ALA A 50 71.407 78.182 34.701 1.00 0.00 H new ATOM 0 HB3 ALA A 50 71.937 79.485 33.612 1.00 0.00 H new ATOM 821 N VAL A 51 72.150 82.120 34.430 1.00 0.00 N ATOM 822 CA VAL A 51 72.970 83.330 34.280 1.00 0.00 C ATOM 823 C VAL A 51 72.720 84.190 35.540 1.00 0.00 C ATOM 824 O VAL A 51 73.650 84.640 36.210 1.00 0.00 O ATOM 825 CB VAL A 51 72.630 84.110 33.010 1.00 0.00 C ATOM 826 CG1 VAL A 51 73.510 85.360 32.970 1.00 0.00 C ATOM 827 CG2 VAL A 51 72.890 83.290 31.750 1.00 0.00 C ATOM 0 H VAL A 51 71.506 81.928 33.663 1.00 0.00 H new ATOM 0 HA VAL A 51 74.021 83.059 34.184 1.00 0.00 H new ATOM 0 HB VAL A 51 71.570 84.362 33.033 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.286 85.934 32.071 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.313 85.972 33.850 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.560 85.066 32.960 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.635 83.882 30.871 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.943 83.012 31.707 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.278 82.388 31.770 1.00 0.00 H new ATOM 837 N ASP A 52 71.460 84.350 35.880 1.00 0.00 N ATOM 838 CA ASP A 52 71.070 85.170 37.040 1.00 0.00 C ATOM 839 C ASP A 52 71.500 84.580 38.370 1.00 0.00 C ATOM 840 O ASP A 52 72.050 85.270 39.200 1.00 0.00 O ATOM 841 CB ASP A 52 69.570 85.380 37.020 1.00 0.00 C ATOM 842 CG ASP A 52 69.180 86.280 35.870 1.00 0.00 C ATOM 843 OD1 ASP A 52 70.150 86.910 35.230 1.00 0.00 O ATOM 844 OD2 ASP A 52 68.070 86.370 35.510 1.00 0.00 O ATOM 0 H ASP A 52 70.677 83.929 35.379 1.00 0.00 H new ATOM 0 HA ASP A 52 71.592 86.123 36.950 1.00 0.00 H new ATOM 0 HB2 ASP A 52 69.063 84.420 36.927 1.00 0.00 H new ATOM 0 HB3 ASP A 52 69.245 85.822 37.962 1.00 0.00 H new ATOM 849 N PHE A 53 71.260 83.270 38.550 1.00 0.00 N ATOM 850 CA PHE A 53 71.570 82.630 39.800 1.00 0.00 C ATOM 851 C PHE A 53 73.040 82.740 40.100 1.00 0.00 C ATOM 852 O PHE A 53 73.400 82.810 41.270 1.00 0.00 O ATOM 853 CB PHE A 53 70.940 81.210 39.800 1.00 0.00 C ATOM 854 CG PHE A 53 69.470 81.170 39.840 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.810 82.220 40.460 1.00 0.00 C ATOM 856 CD2 PHE A 53 68.780 80.110 39.260 1.00 0.00 C ATOM 857 CE1 PHE A 53 67.440 82.230 40.510 1.00 0.00 C ATOM 858 CE2 PHE A 53 67.390 80.120 39.300 1.00 0.00 C ATOM 859 CZ PHE A 53 66.740 81.190 39.910 1.00 0.00 C ATOM 0 H PHE A 53 70.856 82.656 37.843 1.00 0.00 H new ATOM 0 HA PHE A 53 71.116 83.134 40.653 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.276 80.682 38.908 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.325 80.661 40.659 1.00 0.00 H new ATOM 0 HD1 PHE A 53 69.374 83.028 40.902 1.00 0.00 H new ATOM 0 HD2 PHE A 53 69.312 79.297 38.789 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.914 83.032 41.007 1.00 0.00 H new ATOM 0 HE2 PHE A 53 66.823 79.310 38.865 1.00 0.00 H new ATOM 0 HZ PHE A 53 65.660 81.212 39.917 1.00 0.00 H new ATOM 869 N PHE A 54 73.860 82.570 39.020 1.00 0.00 N ATOM 870 CA PHE A 54 75.260 82.120 39.210 1.00 0.00 C ATOM 871 C PHE A 54 75.890 83.380 39.710 1.00 0.00 C ATOM 872 O PHE A 54 76.670 83.380 40.640 1.00 0.00 O ATOM 873 CB PHE A 54 75.910 81.630 37.910 1.00 0.00 C ATOM 874 CG PHE A 54 75.490 80.230 37.480 1.00 0.00 C ATOM 875 CD1 PHE A 54 75.110 79.270 38.290 1.00 0.00 C ATOM 876 CD2 PHE A 54 75.520 79.850 36.180 1.00 0.00 C ATOM 877 CE1 PHE A 54 74.570 78.100 37.830 1.00 0.00 C ATOM 878 CE2 PHE A 54 75.210 78.590 35.630 1.00 0.00 C ATOM 879 CZ PHE A 54 74.680 77.680 36.510 1.00 0.00 C ATOM 0 H PHE A 54 73.585 82.732 38.051 1.00 0.00 H new ATOM 0 HA PHE A 54 75.363 81.262 39.875 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.666 82.330 37.111 1.00 0.00 H new ATOM 0 HB3 PHE A 54 76.993 81.649 38.031 1.00 0.00 H new ATOM 0 HD1 PHE A 54 75.227 79.408 39.355 1.00 0.00 H new ATOM 0 HD2 PHE A 54 75.820 80.610 35.474 1.00 0.00 H new ATOM 0 HE1 PHE A 54 74.033 77.473 38.526 1.00 0.00 H new ATOM 0 HE2 PHE A 54 75.378 78.357 34.589 1.00 0.00 H new ATOM 0 HZ PHE A 54 74.367 76.696 36.195 1.00 0.00 H new ATOM 889 N LYS A 55 75.410 84.500 39.150 1.00 0.00 N ATOM 890 CA LYS A 55 75.770 85.840 39.550 1.00 0.00 C ATOM 891 C LYS A 55 75.340 86.180 40.930 1.00 0.00 C ATOM 892 O LYS A 55 76.120 86.770 41.610 1.00 0.00 O ATOM 893 CB LYS A 55 75.150 86.830 38.590 1.00 0.00 C ATOM 894 CG LYS A 55 75.820 86.710 37.230 1.00 0.00 C ATOM 895 CD LYS A 55 75.170 87.680 36.250 1.00 0.00 C ATOM 896 CE LYS A 55 75.840 87.570 34.900 1.00 0.00 C ATOM 897 NZ LYS A 55 75.250 88.530 33.980 1.00 0.00 N ATOM 0 H LYS A 55 74.739 84.482 38.382 1.00 0.00 H new ATOM 0 HA LYS A 55 76.859 85.891 39.530 1.00 0.00 H new ATOM 0 HB2 LYS A 55 74.080 86.641 38.498 1.00 0.00 H new ATOM 0 HB3 LYS A 55 75.263 87.844 38.974 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.885 86.926 37.318 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.731 85.689 36.859 1.00 0.00 H new ATOM 0 HD2 LYS A 55 74.107 87.460 36.157 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.253 88.700 36.625 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.910 87.756 34.998 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.726 86.559 34.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.713 88.452 33.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 74.234 88.333 33.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 75.380 89.492 34.352 1.00 0.00 H new ATOM 911 N GLU A 56 74.100 85.870 41.320 1.00 0.00 N ATOM 912 CA GLU A 56 73.580 86.180 42.630 1.00 0.00 C ATOM 913 C GLU A 56 74.440 85.560 43.670 1.00 0.00 C ATOM 914 O GLU A 56 74.880 86.340 44.500 1.00 0.00 O ATOM 915 CB GLU A 56 72.120 85.740 42.760 1.00 0.00 C ATOM 916 CG GLU A 56 71.250 86.680 41.940 1.00 0.00 C ATOM 917 CD GLU A 56 69.790 86.220 41.940 1.00 0.00 C ATOM 918 OE1 GLU A 56 69.490 85.180 42.600 1.00 0.00 O ATOM 919 OE2 GLU A 56 68.960 86.910 41.310 1.00 0.00 O ATOM 0 H GLU A 56 73.431 85.391 40.718 1.00 0.00 H new ATOM 0 HA GLU A 56 73.597 87.260 42.774 1.00 0.00 H new ATOM 0 HB2 GLU A 56 72.002 84.715 42.409 1.00 0.00 H new ATOM 0 HB3 GLU A 56 71.812 85.757 43.806 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.317 87.689 42.346 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.621 86.723 40.916 1.00 0.00 H new ATOM 926 N LYS A 57 74.700 84.250 43.580 1.00 0.00 N ATOM 927 CA LYS A 57 75.360 83.400 44.600 1.00 0.00 C ATOM 928 C LYS A 57 76.730 83.810 45.150 1.00 0.00 C ATOM 929 O LYS A 57 76.970 83.760 46.360 1.00 0.00 O ATOM 930 CB LYS A 57 75.350 81.980 44.090 1.00 0.00 C ATOM 931 CG LYS A 57 73.920 81.410 44.100 1.00 0.00 C ATOM 932 CD LYS A 57 73.390 81.260 45.510 1.00 0.00 C ATOM 933 CE LYS A 57 72.000 80.690 45.530 1.00 0.00 C ATOM 934 NZ LYS A 57 71.560 80.550 46.930 1.00 0.00 N ATOM 0 H LYS A 57 74.444 83.717 42.749 1.00 0.00 H new ATOM 0 HA LYS A 57 74.762 83.535 45.501 1.00 0.00 H new ATOM 0 HB2 LYS A 57 75.752 81.949 43.078 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.998 81.361 44.710 1.00 0.00 H new ATOM 0 HG2 LYS A 57 73.262 82.067 43.531 1.00 0.00 H new ATOM 0 HG3 LYS A 57 73.911 80.440 43.602 1.00 0.00 H new ATOM 0 HD2 LYS A 57 74.056 80.613 46.081 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.391 82.232 46.003 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.318 81.342 44.984 1.00 0.00 H new ATOM 0 HE3 LYS A 57 71.983 79.721 45.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 71.143 79.608 47.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 72.377 80.665 47.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 70.849 81.278 47.145 1.00 0.00 H new ATOM 948 N GLY A 58 77.640 84.110 44.280 1.00 0.00 N ATOM 949 CA GLY A 58 79.030 84.550 44.580 1.00 0.00 C ATOM 950 C GLY A 58 80.150 83.560 44.310 1.00 0.00 C ATOM 951 O GLY A 58 81.240 83.990 43.970 1.00 0.00 O ATOM 0 H GLY A 58 77.458 84.063 43.278 1.00 0.00 H new ATOM 0 HA2 GLY A 58 79.230 85.451 44.001 1.00 0.00 H new ATOM 0 HA3 GLY A 58 79.075 84.831 45.632 1.00 0.00 H new ATOM 955 N HIS A 59 79.910 82.260 44.430 1.00 0.00 N ATOM 956 CA HIS A 59 80.880 81.120 44.470 1.00 0.00 C ATOM 957 C HIS A 59 81.620 80.710 43.170 1.00 0.00 C ATOM 958 O HIS A 59 82.810 80.350 43.160 1.00 0.00 O ATOM 959 CB HIS A 59 80.100 79.910 45.000 1.00 0.00 C ATOM 960 CG HIS A 59 79.550 80.100 46.390 1.00 0.00 C ATOM 961 ND1 HIS A 59 79.950 79.490 47.530 1.00 0.00 N flip ATOM 962 CD2 HIS A 59 78.460 80.900 46.680 1.00 0.00 C flip ATOM 963 CE1 HIS A 59 79.230 80.060 48.560 1.00 0.00 C flip ATOM 964 NE2 HIS A 59 78.300 80.840 47.990 1.00 0.00 N flip ATOM 0 H HIS A 59 78.951 81.923 44.511 1.00 0.00 H new ATOM 0 HA HIS A 59 81.699 81.472 45.097 1.00 0.00 H new ATOM 0 HB2 HIS A 59 79.276 79.695 44.320 1.00 0.00 H new ATOM 0 HB3 HIS A 59 80.754 79.038 44.994 1.00 0.00 H new ATOM 0 HD2 HIS A 59 77.861 81.460 45.978 1.00 0.00 H new ATOM 0 HE1 HIS A 59 79.385 79.908 49.618 1.00 0.00 H new ATOM 0 HE2 HIS A 59 77.563 81.325 48.502 1.00 0.00 H new ATOM 972 N THR A 60 80.940 80.700 42.050 1.00 0.00 N ATOM 973 CA THR A 60 81.540 80.580 40.740 1.00 0.00 C ATOM 974 C THR A 60 82.420 81.760 40.580 1.00 0.00 C ATOM 975 O THR A 60 82.270 82.770 41.260 1.00 0.00 O ATOM 976 CB THR A 60 80.550 80.540 39.590 1.00 0.00 C ATOM 977 OG1 THR A 60 81.240 80.270 38.390 1.00 0.00 O ATOM 978 CG2 THR A 60 79.860 81.850 39.450 1.00 0.00 C ATOM 0 H THR A 60 79.923 80.777 42.022 1.00 0.00 H new ATOM 0 HA THR A 60 82.068 79.627 40.695 1.00 0.00 H new ATOM 0 HB THR A 60 79.814 79.762 39.794 1.00 0.00 H new ATOM 0 HG1 THR A 60 82.092 79.832 38.594 1.00 0.00 H new ATOM 0 HG21 THR A 60 79.154 81.803 38.621 1.00 0.00 H new ATOM 0 HG22 THR A 60 79.323 82.079 40.371 1.00 0.00 H new ATOM 0 HG23 THR A 60 80.596 82.630 39.256 1.00 0.00 H new ATOM 986 N ALA A 61 83.420 81.640 39.780 1.00 0.00 N ATOM 987 CA ALA A 61 84.390 82.690 39.540 1.00 0.00 C ATOM 988 C ALA A 61 83.860 83.330 38.320 1.00 0.00 C ATOM 989 O ALA A 61 83.950 84.550 38.240 1.00 0.00 O ATOM 990 CB ALA A 61 85.820 82.150 39.310 1.00 0.00 C ATOM 0 H ALA A 61 83.606 80.788 39.250 1.00 0.00 H new ATOM 0 HA ALA A 61 84.498 83.363 40.391 1.00 0.00 H new ATOM 0 HB1 ALA A 61 86.500 82.984 39.136 1.00 0.00 H new ATOM 0 HB2 ALA A 61 86.145 81.594 40.190 1.00 0.00 H new ATOM 0 HB3 ALA A 61 85.825 81.491 38.442 1.00 0.00 H new ATOM 996 N TYR A 62 83.320 82.500 37.420 1.00 0.00 N ATOM 997 CA TYR A 62 82.890 82.980 36.130 1.00 0.00 C ATOM 998 C TYR A 62 81.890 82.100 35.360 1.00 0.00 C ATOM 999 O TYR A 62 81.850 80.880 35.540 1.00 0.00 O ATOM 1000 CB TYR A 62 84.170 83.180 35.320 1.00 0.00 C ATOM 1001 CG TYR A 62 83.910 83.750 33.950 1.00 0.00 C ATOM 1002 CD1 TYR A 62 83.640 85.110 33.800 1.00 0.00 C ATOM 1003 CD2 TYR A 62 83.900 82.900 32.840 1.00 0.00 C ATOM 1004 CE1 TYR A 62 83.360 85.640 32.520 1.00 0.00 C ATOM 1005 CE2 TYR A 62 83.660 83.440 31.580 1.00 0.00 C ATOM 1006 CZ TYR A 62 83.370 84.790 31.400 1.00 0.00 C ATOM 1007 OH TYR A 62 83.100 85.280 30.170 1.00 0.00 O ATOM 0 H TYR A 62 83.177 81.502 37.573 1.00 0.00 H new ATOM 0 HA TYR A 62 82.317 83.893 36.290 1.00 0.00 H new ATOM 0 HB2 TYR A 62 84.839 83.846 35.865 1.00 0.00 H new ATOM 0 HB3 TYR A 62 84.684 82.224 35.219 1.00 0.00 H new ATOM 0 HD1 TYR A 62 83.645 85.759 34.663 1.00 0.00 H new ATOM 0 HD2 TYR A 62 84.076 81.841 32.958 1.00 0.00 H new ATOM 0 HE1 TYR A 62 83.140 86.691 32.403 1.00 0.00 H new ATOM 0 HE2 TYR A 62 83.700 82.793 30.716 1.00 0.00 H new ATOM 0 HH TYR A 62 83.151 84.556 29.511 1.00 0.00 H new ATOM 1017 N LEU A 63 81.130 82.670 34.430 1.00 0.00 N ATOM 1018 CA LEU A 63 80.350 81.860 33.500 1.00 0.00 C ATOM 1019 C LEU A 63 80.350 82.410 32.080 1.00 0.00 C ATOM 1020 O LEU A 63 80.120 83.590 31.830 1.00 0.00 O ATOM 1021 CB LEU A 63 78.960 81.720 34.100 1.00 0.00 C ATOM 1022 CG LEU A 63 78.040 80.980 33.120 1.00 0.00 C ATOM 1023 CD1 LEU A 63 76.780 80.650 33.790 1.00 0.00 C ATOM 1024 CD2 LEU A 63 77.580 81.840 31.980 1.00 0.00 C ATOM 0 H LEU A 63 81.038 83.678 34.301 1.00 0.00 H new ATOM 0 HA LEU A 63 80.803 80.876 33.381 1.00 0.00 H new ATOM 0 HB2 LEU A 63 79.015 81.176 35.043 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.550 82.705 34.324 1.00 0.00 H new ATOM 0 HG LEU A 63 78.623 80.126 32.774 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.125 80.124 33.095 1.00 0.00 H new ATOM 0 HD12 LEU A 63 76.982 80.013 34.651 1.00 0.00 H new ATOM 0 HD13 LEU A 63 76.294 81.567 34.123 1.00 0.00 H new ATOM 0 HD21 LEU A 63 76.933 81.258 31.323 1.00 0.00 H new ATOM 0 HD22 LEU A 63 77.027 82.695 32.369 1.00 0.00 H new ATOM 0 HD23 LEU A 63 78.445 82.192 31.418 1.00 0.00 H new ATOM 1036 N ASP A 64 80.430 81.480 31.140 1.00 0.00 N ATOM 1037 CA ASP A 64 80.360 81.690 29.720 1.00 0.00 C ATOM 1038 C ASP A 64 79.590 80.540 29.110 1.00 0.00 C ATOM 1039 O ASP A 64 79.150 79.640 29.810 1.00 0.00 O ATOM 1040 CB ASP A 64 81.720 81.710 29.090 1.00 0.00 C ATOM 1041 CG ASP A 64 81.780 82.630 27.870 1.00 0.00 C ATOM 1042 OD1 ASP A 64 80.570 82.940 27.410 1.00 0.00 O ATOM 1043 OD2 ASP A 64 82.740 83.120 27.410 1.00 0.00 O ATOM 0 H ASP A 64 80.554 80.495 31.376 1.00 0.00 H new ATOM 0 HA ASP A 64 79.879 82.652 29.543 1.00 0.00 H new ATOM 0 HB2 ASP A 64 82.454 82.038 29.826 1.00 0.00 H new ATOM 0 HB3 ASP A 64 81.996 80.698 28.793 1.00 0.00 H new ATOM 1048 N GLU A 65 79.360 80.600 27.810 1.00 0.00 N ATOM 1049 CA GLU A 65 78.760 79.530 27.080 1.00 0.00 C ATOM 1050 C GLU A 65 79.810 78.530 26.630 1.00 0.00 C ATOM 1051 O GLU A 65 81.010 78.800 26.680 1.00 0.00 O ATOM 1052 CB GLU A 65 77.970 80.060 25.880 1.00 0.00 C ATOM 1053 CG GLU A 65 76.700 80.780 26.270 1.00 0.00 C ATOM 1054 CD GLU A 65 75.860 81.240 25.100 1.00 0.00 C ATOM 1055 OE1 GLU A 65 76.280 81.040 23.950 1.00 0.00 O ATOM 1056 OE2 GLU A 65 74.720 81.720 25.340 1.00 0.00 O ATOM 0 H GLU A 65 79.593 81.411 27.236 1.00 0.00 H new ATOM 0 HA GLU A 65 78.063 79.019 27.745 1.00 0.00 H new ATOM 0 HB2 GLU A 65 78.603 80.739 25.308 1.00 0.00 H new ATOM 0 HB3 GLU A 65 77.720 79.227 25.222 1.00 0.00 H new ATOM 0 HG2 GLU A 65 76.100 80.120 26.896 1.00 0.00 H new ATOM 0 HG3 GLU A 65 76.960 81.646 26.878 1.00 0.00 H new ATOM 1063 N VAL A 66 79.400 77.380 26.170 1.00 0.00 N ATOM 1064 CA VAL A 66 80.330 76.540 25.410 1.00 0.00 C ATOM 1065 C VAL A 66 79.980 76.620 23.960 1.00 0.00 C ATOM 1066 O VAL A 66 78.840 76.700 23.610 1.00 0.00 O ATOM 1067 CB VAL A 66 80.320 75.110 25.910 1.00 0.00 C ATOM 1068 CG1 VAL A 66 81.250 74.280 25.030 1.00 0.00 C ATOM 1069 CG2 VAL A 66 80.820 75.030 27.330 1.00 0.00 C ATOM 0 H VAL A 66 78.462 76.998 26.294 1.00 0.00 H new ATOM 0 HA VAL A 66 81.346 76.908 25.552 1.00 0.00 H new ATOM 0 HB VAL A 66 79.297 74.736 25.872 1.00 0.00 H new ATOM 0 HG11 VAL A 66 81.254 73.247 25.378 1.00 0.00 H new ATOM 0 HG12 VAL A 66 80.901 74.314 23.998 1.00 0.00 H new ATOM 0 HG13 VAL A 66 82.260 74.685 25.085 1.00 0.00 H new ATOM 0 HG21 VAL A 66 80.802 73.993 27.664 1.00 0.00 H new ATOM 0 HG22 VAL A 66 81.841 75.410 27.378 1.00 0.00 H new ATOM 0 HG23 VAL A 66 80.179 75.630 27.976 1.00 0.00 H new ATOM 1079 N ARG A 67 80.940 76.550 23.040 1.00 0.00 N ATOM 1080 CA ARG A 67 80.640 76.610 21.620 1.00 0.00 C ATOM 1081 C ARG A 67 80.450 75.190 21.140 1.00 0.00 C ATOM 1082 O ARG A 67 81.160 74.660 20.330 1.00 0.00 O ATOM 1083 CB ARG A 67 81.730 77.340 20.840 1.00 0.00 C ATOM 1084 CG ARG A 67 81.980 78.780 21.250 1.00 0.00 C ATOM 1085 CD ARG A 67 80.730 79.610 20.990 1.00 0.00 C ATOM 1086 NE ARG A 67 80.370 79.560 19.560 1.00 0.00 N ATOM 1087 CZ ARG A 67 80.900 80.350 18.650 1.00 0.00 C ATOM 1088 NH1 ARG A 67 81.800 81.230 18.990 1.00 0.00 N ATOM 1089 NH2 ARG A 67 80.530 80.250 17.400 1.00 0.00 N ATOM 0 H ARG A 67 81.932 76.452 23.258 1.00 0.00 H new ATOM 0 HA ARG A 67 79.730 77.186 21.450 1.00 0.00 H new ATOM 0 HB2 ARG A 67 82.662 76.784 20.946 1.00 0.00 H new ATOM 0 HB3 ARG A 67 81.468 77.323 19.782 1.00 0.00 H new ATOM 0 HG2 ARG A 67 82.247 78.827 22.306 1.00 0.00 H new ATOM 0 HG3 ARG A 67 82.822 79.187 20.690 1.00 0.00 H new ATOM 0 HD2 ARG A 67 79.904 79.234 21.593 1.00 0.00 H new ATOM 0 HD3 ARG A 67 80.902 80.643 21.293 1.00 0.00 H new ATOM 0 HE ARG A 67 79.674 78.877 19.261 1.00 0.00 H new ATOM 0 HH11 ARG A 67 82.095 81.308 19.963 1.00 0.00 H new ATOM 0 HH12 ARG A 67 82.209 81.841 18.283 1.00 0.00 H new ATOM 0 HH21 ARG A 67 79.830 79.559 17.129 1.00 0.00 H new ATOM 0 HH22 ARG A 67 80.941 80.863 16.696 1.00 0.00 H new ATOM 1103 N VAL A 68 79.510 74.470 21.690 1.00 0.00 N ATOM 1104 CA VAL A 68 78.440 73.800 20.950 1.00 0.00 C ATOM 1105 C VAL A 68 77.110 74.440 21.250 1.00 0.00 C ATOM 1106 O VAL A 68 76.120 74.000 20.710 1.00 0.00 O ATOM 1107 CB VAL A 68 78.390 72.320 21.270 1.00 0.00 C ATOM 1108 CG1 VAL A 68 79.670 71.640 20.840 1.00 0.00 C ATOM 1109 CG2 VAL A 68 78.250 72.150 22.770 1.00 0.00 C ATOM 0 H VAL A 68 79.454 74.320 22.697 1.00 0.00 H new ATOM 0 HA VAL A 68 78.655 73.909 19.887 1.00 0.00 H new ATOM 0 HB VAL A 68 77.547 71.876 20.741 1.00 0.00 H new ATOM 0 HG11 VAL A 68 79.615 70.578 21.078 1.00 0.00 H new ATOM 0 HG12 VAL A 68 79.805 71.765 19.766 1.00 0.00 H new ATOM 0 HG13 VAL A 68 80.514 72.087 21.366 1.00 0.00 H new ATOM 0 HG21 VAL A 68 78.213 71.088 23.014 1.00 0.00 H new ATOM 0 HG22 VAL A 68 79.104 72.607 23.269 1.00 0.00 H new ATOM 0 HG23 VAL A 68 77.332 72.632 23.107 1.00 0.00 H new ATOM 1119 N SER A 69 77.060 75.500 22.020 1.00 0.00 N ATOM 1120 CA SER A 69 75.850 76.240 22.340 1.00 0.00 C ATOM 1121 C SER A 69 75.250 76.830 21.100 1.00 0.00 C ATOM 1122 O SER A 69 74.060 76.800 20.910 1.00 0.00 O ATOM 1123 CB SER A 69 76.150 77.380 23.300 1.00 0.00 C ATOM 1124 OG SER A 69 76.480 76.840 24.550 1.00 0.00 O ATOM 0 H SER A 69 77.892 75.891 22.462 1.00 0.00 H new ATOM 0 HA SER A 69 75.154 75.538 22.800 1.00 0.00 H new ATOM 0 HB2 SER A 69 76.973 77.986 22.921 1.00 0.00 H new ATOM 0 HB3 SER A 69 75.285 78.037 23.389 1.00 0.00 H new ATOM 0 HG SER A 69 77.447 76.689 24.596 1.00 0.00 H new ATOM 1130 N THR A 70 76.090 77.330 20.200 1.00 0.00 N ATOM 1131 CA THR A 70 75.620 77.950 19.000 1.00 0.00 C ATOM 1132 C THR A 70 74.790 76.950 18.230 1.00 0.00 C ATOM 1133 O THR A 70 73.740 77.330 17.800 1.00 0.00 O ATOM 1134 CB THR A 70 76.770 78.470 18.150 1.00 0.00 C ATOM 1135 OG1 THR A 70 77.550 79.380 18.880 1.00 0.00 O ATOM 1136 CG2 THR A 70 76.250 79.170 16.920 1.00 0.00 C ATOM 0 H THR A 70 77.105 77.310 20.295 1.00 0.00 H new ATOM 0 HA THR A 70 75.008 78.813 19.262 1.00 0.00 H new ATOM 0 HB THR A 70 77.376 77.612 17.857 1.00 0.00 H new ATOM 0 HG1 THR A 70 78.185 79.822 18.279 1.00 0.00 H new ATOM 0 HG21 THR A 70 77.089 79.534 16.327 1.00 0.00 H new ATOM 0 HG22 THR A 70 75.661 78.472 16.326 1.00 0.00 H new ATOM 0 HG23 THR A 70 75.624 80.011 17.217 1.00 0.00 H new ATOM 1144 N ASP A 71 75.280 75.700 18.100 1.00 0.00 N ATOM 1145 CA ASP A 71 74.640 74.580 17.410 1.00 0.00 C ATOM 1146 C ASP A 71 73.400 74.040 18.050 1.00 0.00 C ATOM 1147 O ASP A 71 72.440 73.920 17.380 1.00 0.00 O ATOM 1148 CB ASP A 71 75.640 73.440 17.260 1.00 0.00 C ATOM 1149 CG ASP A 71 76.700 73.790 16.240 1.00 0.00 C ATOM 1150 OD1 ASP A 71 76.400 74.870 15.510 1.00 0.00 O ATOM 1151 OD2 ASP A 71 77.740 73.260 16.160 1.00 0.00 O ATOM 0 H ASP A 71 76.182 75.439 18.498 1.00 0.00 H new ATOM 0 HA ASP A 71 74.323 74.991 16.452 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.108 73.232 18.222 1.00 0.00 H new ATOM 0 HB3 ASP A 71 75.120 72.532 16.955 1.00 0.00 H new ATOM 1156 N GLU A 72 73.410 73.800 19.370 1.00 0.00 N ATOM 1157 CA GLU A 72 72.330 73.080 20.040 1.00 0.00 C ATOM 1158 C GLU A 72 71.760 73.850 21.200 1.00 0.00 C ATOM 1159 O GLU A 72 70.730 73.480 21.700 1.00 0.00 O ATOM 1160 CB GLU A 72 72.800 71.700 20.530 1.00 0.00 C ATOM 1161 CG GLU A 72 73.060 70.760 19.370 1.00 0.00 C ATOM 1162 CD GLU A 72 73.600 69.420 19.860 1.00 0.00 C ATOM 1163 OE1 GLU A 72 73.750 69.240 21.090 1.00 0.00 O ATOM 1164 OE2 GLU A 72 73.910 68.580 18.980 1.00 0.00 O ATOM 0 H GLU A 72 74.161 74.098 19.993 1.00 0.00 H new ATOM 0 HA GLU A 72 71.544 72.953 19.295 1.00 0.00 H new ATOM 0 HB2 GLU A 72 73.710 71.812 21.120 1.00 0.00 H new ATOM 0 HB3 GLU A 72 72.045 71.269 21.187 1.00 0.00 H new ATOM 0 HG2 GLU A 72 72.137 70.602 18.812 1.00 0.00 H new ATOM 0 HG3 GLU A 72 73.774 71.214 18.683 1.00 0.00 H new ATOM 1171 N LYS A 73 72.330 74.970 21.650 1.00 0.00 N ATOM 1172 CA LYS A 73 72.320 75.410 23.040 1.00 0.00 C ATOM 1173 C LYS A 73 71.450 74.590 24.010 1.00 0.00 C ATOM 1174 O LYS A 73 70.260 74.790 24.070 1.00 0.00 O ATOM 1175 CB LYS A 73 71.830 76.830 22.930 1.00 0.00 C ATOM 1176 CG LYS A 73 71.720 77.500 24.280 1.00 0.00 C ATOM 1177 CD LYS A 73 73.090 77.620 24.940 1.00 0.00 C ATOM 1178 CE LYS A 73 72.980 78.320 26.280 1.00 0.00 C ATOM 1179 NZ LYS A 73 72.360 79.650 26.080 1.00 0.00 N ATOM 0 H LYS A 73 72.826 75.614 21.034 1.00 0.00 H new ATOM 0 HA LYS A 73 73.308 75.289 23.483 1.00 0.00 H new ATOM 0 HB2 LYS A 73 72.511 77.400 22.297 1.00 0.00 H new ATOM 0 HB3 LYS A 73 70.856 76.840 22.440 1.00 0.00 H new ATOM 0 HG2 LYS A 73 71.279 78.490 24.164 1.00 0.00 H new ATOM 0 HG3 LYS A 73 71.051 76.926 24.922 1.00 0.00 H new ATOM 0 HD2 LYS A 73 73.521 76.628 25.077 1.00 0.00 H new ATOM 0 HD3 LYS A 73 73.766 78.175 24.289 1.00 0.00 H new ATOM 0 HE2 LYS A 73 72.380 77.724 26.968 1.00 0.00 H new ATOM 0 HE3 LYS A 73 73.967 78.428 26.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 72.449 80.209 26.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 72.841 80.144 25.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 71.354 79.532 25.846 1.00 0.00 H new ATOM 1193 N ASP A 74 72.090 73.950 24.970 1.00 0.00 N ATOM 1194 CA ASP A 74 71.770 73.950 26.410 1.00 0.00 C ATOM 1195 C ASP A 74 72.990 74.230 27.340 1.00 0.00 C ATOM 1196 O ASP A 74 72.860 74.170 28.550 1.00 0.00 O ATOM 1197 CB ASP A 74 71.190 72.610 26.770 1.00 0.00 C ATOM 1198 CG ASP A 74 72.190 71.480 26.460 1.00 0.00 C ATOM 1199 OD1 ASP A 74 73.260 71.810 25.670 1.00 0.00 O ATOM 1200 OD2 ASP A 74 72.120 70.440 26.740 1.00 0.00 O ATOM 0 H ASP A 74 72.905 73.373 24.764 1.00 0.00 H new ATOM 0 HA ASP A 74 71.066 74.766 26.571 1.00 0.00 H new ATOM 0 HB2 ASP A 74 70.932 72.593 27.829 1.00 0.00 H new ATOM 0 HB3 ASP A 74 70.267 72.447 26.214 1.00 0.00 H new ATOM 1205 N PHE A 75 74.160 74.590 26.750 1.00 0.00 N ATOM 1206 CA PHE A 75 75.470 74.210 27.270 1.00 0.00 C ATOM 1207 C PHE A 75 76.190 75.460 27.840 1.00 0.00 C ATOM 1208 O PHE A 75 76.720 76.290 27.100 1.00 0.00 O ATOM 1209 CB PHE A 75 76.320 73.510 26.190 1.00 0.00 C ATOM 1210 CG PHE A 75 77.490 72.750 26.780 1.00 0.00 C ATOM 1211 CD1 PHE A 75 77.950 73.010 28.070 1.00 0.00 C ATOM 1212 CD2 PHE A 75 78.170 71.760 26.070 1.00 0.00 C ATOM 1213 CE1 PHE A 75 79.020 72.340 28.600 1.00 0.00 C ATOM 1214 CE2 PHE A 75 79.230 71.040 26.600 1.00 0.00 C ATOM 1215 CZ PHE A 75 79.660 71.330 27.890 1.00 0.00 C ATOM 0 H PHE A 75 74.205 75.152 25.900 1.00 0.00 H new ATOM 0 HA PHE A 75 75.332 73.492 28.078 1.00 0.00 H new ATOM 0 HB2 PHE A 75 75.691 72.822 25.625 1.00 0.00 H new ATOM 0 HB3 PHE A 75 76.691 74.254 25.485 1.00 0.00 H new ATOM 0 HD1 PHE A 75 77.450 73.759 28.666 1.00 0.00 H new ATOM 0 HD2 PHE A 75 77.856 71.544 25.059 1.00 0.00 H new ATOM 0 HE1 PHE A 75 79.373 72.600 29.587 1.00 0.00 H new ATOM 0 HE2 PHE A 75 79.713 70.267 26.021 1.00 0.00 H new ATOM 0 HZ PHE A 75 80.477 70.780 28.333 1.00 0.00 H new ATOM 1225 N LEU A 76 76.230 75.550 29.150 1.00 0.00 N ATOM 1226 CA LEU A 76 76.950 76.620 29.880 1.00 0.00 C ATOM 1227 C LEU A 76 78.170 76.110 30.610 1.00 0.00 C ATOM 1228 O LEU A 76 78.150 75.020 31.150 1.00 0.00 O ATOM 1229 CB LEU A 76 75.980 77.290 30.860 1.00 0.00 C ATOM 1230 CG LEU A 76 74.830 78.000 30.170 1.00 0.00 C ATOM 1231 CD1 LEU A 76 73.850 78.550 31.210 1.00 0.00 C ATOM 1232 CD2 LEU A 76 75.360 79.170 29.340 1.00 0.00 C ATOM 0 H LEU A 76 75.764 74.883 29.765 1.00 0.00 H new ATOM 0 HA LEU A 76 77.311 77.343 29.148 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.579 76.536 31.537 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.528 78.008 31.470 1.00 0.00 H new ATOM 0 HG LEU A 76 74.323 77.283 29.524 1.00 0.00 H new ATOM 0 HD11 LEU A 76 73.029 79.057 30.704 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.455 77.729 31.808 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.367 79.256 31.860 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.528 79.674 28.848 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.876 79.874 29.992 1.00 0.00 H new ATOM 0 HD23 LEU A 76 76.054 78.797 28.587 1.00 0.00 H new ATOM 1244 N TYR A 77 79.230 76.930 30.600 1.00 0.00 N ATOM 1245 CA TYR A 77 80.580 76.670 31.050 1.00 0.00 C ATOM 1246 C TYR A 77 80.800 77.570 32.270 1.00 0.00 C ATOM 1247 O TYR A 77 80.920 78.780 32.140 1.00 0.00 O ATOM 1248 CB TYR A 77 81.630 77.020 29.990 1.00 0.00 C ATOM 1249 CG TYR A 77 83.010 76.570 30.390 1.00 0.00 C ATOM 1250 CD1 TYR A 77 83.390 75.240 30.220 1.00 0.00 C ATOM 1251 CD2 TYR A 77 83.940 77.480 30.880 1.00 0.00 C ATOM 1252 CE1 TYR A 77 84.670 74.800 30.600 1.00 0.00 C ATOM 1253 CE2 TYR A 77 85.230 77.050 31.190 1.00 0.00 C ATOM 1254 CZ TYR A 77 85.610 75.720 31.080 1.00 0.00 C ATOM 1255 OH TYR A 77 86.850 75.360 31.500 1.00 0.00 O ATOM 0 H TYR A 77 79.141 77.880 30.239 1.00 0.00 H new ATOM 0 HA TYR A 77 80.691 75.608 31.270 1.00 0.00 H new ATOM 0 HB2 TYR A 77 81.358 76.554 29.043 1.00 0.00 H new ATOM 0 HB3 TYR A 77 81.634 78.098 29.826 1.00 0.00 H new ATOM 0 HD1 TYR A 77 82.691 74.537 29.790 1.00 0.00 H new ATOM 0 HD2 TYR A 77 83.665 78.515 31.020 1.00 0.00 H new ATOM 0 HE1 TYR A 77 84.928 73.754 30.522 1.00 0.00 H new ATOM 0 HE2 TYR A 77 85.956 77.775 31.526 1.00 0.00 H new ATOM 0 HH TYR A 77 87.340 76.157 31.792 1.00 0.00 H new ATOM 1265 N GLU A 78 80.770 76.970 33.450 1.00 0.00 N ATOM 1266 CA GLU A 78 80.870 77.710 34.710 1.00 0.00 C ATOM 1267 C GLU A 78 82.110 77.260 35.440 1.00 0.00 C ATOM 1268 O GLU A 78 82.410 76.070 35.460 1.00 0.00 O ATOM 1269 CB GLU A 78 79.640 77.460 35.590 1.00 0.00 C ATOM 1270 CG GLU A 78 79.710 78.260 36.890 1.00 0.00 C ATOM 1271 CD GLU A 78 78.440 78.080 37.710 1.00 0.00 C ATOM 1272 OE1 GLU A 78 77.570 77.400 37.190 1.00 0.00 O ATOM 1273 OE2 GLU A 78 78.310 78.700 38.780 1.00 0.00 O ATOM 0 H GLU A 78 80.676 75.961 33.567 1.00 0.00 H new ATOM 0 HA GLU A 78 80.923 78.777 34.492 1.00 0.00 H new ATOM 0 HB2 GLU A 78 78.738 77.732 35.042 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.565 76.397 35.819 1.00 0.00 H new ATOM 0 HG2 GLU A 78 80.573 77.938 37.473 1.00 0.00 H new ATOM 0 HG3 GLU A 78 79.855 79.316 36.664 1.00 0.00 H new ATOM 1280 N LEU A 79 82.870 78.190 36.050 1.00 0.00 N ATOM 1281 CA LEU A 79 84.090 77.810 36.760 1.00 0.00 C ATOM 1282 C LEU A 79 84.010 78.270 38.180 1.00 0.00 C ATOM 1283 O LEU A 79 83.780 79.440 38.390 1.00 0.00 O ATOM 1284 CB LEU A 79 85.310 78.440 36.070 1.00 0.00 C ATOM 1285 CG LEU A 79 85.470 77.950 34.630 1.00 0.00 C ATOM 1286 CD1 LEU A 79 86.620 78.630 33.980 1.00 0.00 C ATOM 1287 CD2 LEU A 79 85.790 76.490 34.590 1.00 0.00 C ATOM 0 H LEU A 79 82.660 79.188 36.062 1.00 0.00 H new ATOM 0 HA LEU A 79 84.195 76.725 36.743 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.209 79.525 36.075 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.210 78.201 36.636 1.00 0.00 H new ATOM 0 HG LEU A 79 84.529 78.161 34.122 1.00 0.00 H new ATOM 0 HD11 LEU A 79 86.723 78.272 32.956 1.00 0.00 H new ATOM 0 HD12 LEU A 79 86.449 79.707 33.973 1.00 0.00 H new ATOM 0 HD13 LEU A 79 87.533 78.411 34.534 1.00 0.00 H new ATOM 0 HD21 LEU A 79 85.898 76.169 33.554 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.722 76.307 35.126 1.00 0.00 H new ATOM 0 HD23 LEU A 79 84.984 75.928 35.061 1.00 0.00 H new ATOM 1299 N HIS A 80 84.240 77.400 39.190 1.00 0.00 N ATOM 1300 CA HIS A 80 84.030 77.750 40.580 1.00 0.00 C ATOM 1301 C HIS A 80 85.360 77.910 41.300 1.00 0.00 C ATOM 1302 O HIS A 80 86.190 77.030 41.320 1.00 0.00 O ATOM 1303 CB HIS A 80 83.140 76.740 41.310 1.00 0.00 C ATOM 1304 CG HIS A 80 81.750 76.640 40.780 1.00 0.00 C ATOM 1305 ND1 HIS A 80 80.730 77.480 41.190 1.00 0.00 N ATOM 1306 CD2 HIS A 80 81.280 75.760 39.850 1.00 0.00 C ATOM 1307 CE1 HIS A 80 79.660 77.080 40.510 1.00 0.00 C ATOM 1308 NE2 HIS A 80 79.970 76.080 39.700 1.00 0.00 N ATOM 0 H HIS A 80 84.574 76.447 39.048 1.00 0.00 H new ATOM 0 HA HIS A 80 83.504 78.705 40.591 1.00 0.00 H new ATOM 0 HB2 HIS A 80 83.608 75.757 41.254 1.00 0.00 H new ATOM 0 HB3 HIS A 80 83.094 77.012 42.365 1.00 0.00 H new ATOM 0 HD1 HIS A 80 80.787 78.241 41.867 1.00 0.00 H new ATOM 0 HD2 HIS A 80 81.830 74.980 39.344 1.00 0.00 H new ATOM 0 HE1 HIS A 80 78.674 77.511 40.605 1.00 0.00 H new ATOM 1316 N ILE A 81 85.570 79.110 41.870 1.00 0.00 N ATOM 1317 CA ILE A 81 86.890 79.710 42.210 1.00 0.00 C ATOM 1318 C ILE A 81 88.110 79.260 41.360 1.00 0.00 C ATOM 1319 O ILE A 81 89.040 78.640 41.820 1.00 0.00 O ATOM 1320 CB ILE A 81 87.070 79.560 43.700 1.00 0.00 C ATOM 1321 CG1 ILE A 81 88.290 80.330 44.200 1.00 0.00 C ATOM 1322 CG2 ILE A 81 87.160 78.080 43.950 1.00 0.00 C ATOM 1323 CD1 ILE A 81 88.440 80.410 45.690 1.00 0.00 C ATOM 0 H ILE A 81 84.794 79.723 42.121 1.00 0.00 H new ATOM 0 HA ILE A 81 86.866 80.763 41.928 1.00 0.00 H new ATOM 0 HB ILE A 81 86.237 79.989 44.257 1.00 0.00 H new ATOM 0 HG12 ILE A 81 89.185 79.865 43.787 1.00 0.00 H new ATOM 0 HG13 ILE A 81 88.245 81.344 43.802 1.00 0.00 H new ATOM 0 HG21 ILE A 81 87.292 77.899 45.017 1.00 0.00 H new ATOM 0 HG22 ILE A 81 86.244 77.597 43.610 1.00 0.00 H new ATOM 0 HG23 ILE A 81 88.010 77.670 43.404 1.00 0.00 H new ATOM 0 HD11 ILE A 81 89.338 80.978 45.935 1.00 0.00 H new ATOM 0 HD12 ILE A 81 87.569 80.906 46.117 1.00 0.00 H new ATOM 0 HD13 ILE A 81 88.523 79.404 46.102 1.00 0.00 H new ATOM 1335 N ILE A 82 88.050 79.590 40.040 1.00 0.00 N ATOM 1336 CA ILE A 82 88.990 79.280 38.930 1.00 0.00 C ATOM 1337 C ILE A 82 90.550 79.500 39.070 1.00 0.00 C ATOM 1338 O ILE A 82 91.320 79.210 38.230 1.00 0.00 O ATOM 1339 CB ILE A 82 88.490 80.030 37.670 1.00 0.00 C ATOM 1340 CG1 ILE A 82 89.230 79.600 36.410 1.00 0.00 C ATOM 1341 CG2 ILE A 82 88.680 81.530 37.840 1.00 0.00 C ATOM 1342 CD1 ILE A 82 88.650 80.160 35.160 1.00 0.00 C ATOM 1343 OXT ILE A 82 91.110 80.040 40.070 1.00 0.00 O ATOM 0 H ILE A 82 87.261 80.135 39.694 1.00 0.00 H new ATOM 0 HA ILE A 82 88.949 78.191 38.902 1.00 0.00 H new ATOM 0 HB ILE A 82 87.434 79.782 37.559 1.00 0.00 H new ATOM 0 HG12 ILE A 82 90.272 79.909 36.487 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.224 78.512 36.348 1.00 0.00 H new ATOM 0 HG21 ILE A 82 88.325 82.045 36.948 1.00 0.00 H new ATOM 0 HG22 ILE A 82 88.114 81.873 38.706 1.00 0.00 H new ATOM 0 HG23 ILE A 82 89.738 81.748 37.988 1.00 0.00 H new ATOM 0 HD11 ILE A 82 89.227 79.812 34.303 1.00 0.00 H new ATOM 0 HD12 ILE A 82 87.616 79.830 35.059 1.00 0.00 H new ATOM 0 HD13 ILE A 82 88.681 81.249 35.200 1.00 0.00 H new