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 44 HIS : no HD1:sc= 0 K(o=-1.1,f=-2.3) USER MOD Set 1.2: A 47 MET CE :methyl 135:sc= -1.13 (180deg=-4.2!) USER MOD Set 2.1: A 34 SER OG : rot 165:sc= 0.0156 USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= 0.0155 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= -2.06 X(o=-2.1,f=-2.2) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 1.03 K(o=1,f=-4.5!) USER MOD Single : A 29 SER OG : rot -50:sc= 0.304 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -102:sc= -0.605 USER MOD Single : A 42 ASN : amide:sc= -0.159 K(o=-0.16,f=-4.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 156:sc= -1.12 (180deg=-1.33) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -134:sc= -0.453 (180deg=-2.46!) USER MOD Single : A 59 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.6!) USER MOD Single : A 60 THR OG1 : rot 35:sc= 0.709 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 110:sc= -0.0555 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= -0.0381 (180deg=-0.0427) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -5.73! C(o=-8.8!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 80.210 66.640 37.350 1.00 0.00 N ATOM 49 CA LYS A 4 80.600 68.000 37.110 1.00 0.00 C ATOM 50 C LYS A 4 79.460 68.630 36.340 1.00 0.00 C ATOM 51 O LYS A 4 79.790 69.390 35.430 1.00 0.00 O ATOM 52 CB LYS A 4 81.940 68.120 36.390 1.00 0.00 C ATOM 53 CG LYS A 4 83.120 67.650 37.250 1.00 0.00 C ATOM 54 CD LYS A 4 84.420 67.760 36.470 1.00 0.00 C ATOM 55 CE LYS A 4 85.590 67.290 37.330 1.00 0.00 C ATOM 56 NZ LYS A 4 86.860 67.440 36.590 1.00 0.00 N ATOM 0 HA LYS A 4 80.770 68.524 38.051 1.00 0.00 H new ATOM 0 HB2 LYS A 4 81.908 67.533 35.472 1.00 0.00 H new ATOM 0 HB3 LYS A 4 82.099 69.158 36.099 1.00 0.00 H new ATOM 0 HG2 LYS A 4 83.180 68.252 38.157 1.00 0.00 H new ATOM 0 HG3 LYS A 4 82.962 66.618 37.563 1.00 0.00 H new ATOM 0 HD2 LYS A 4 84.361 67.158 35.563 1.00 0.00 H new ATOM 0 HD3 LYS A 4 84.580 68.792 36.158 1.00 0.00 H new ATOM 0 HE2 LYS A 4 85.628 67.869 38.253 1.00 0.00 H new ATOM 0 HE3 LYS A 4 85.447 66.247 37.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 87.649 67.117 37.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 86.825 66.869 35.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 87.001 68.440 36.341 1.00 0.00 H new ATOM 70 N LEU A 5 78.210 68.210 36.490 1.00 0.00 N ATOM 71 CA LEU A 5 77.160 68.840 35.700 1.00 0.00 C ATOM 72 C LEU A 5 75.980 69.210 36.530 1.00 0.00 C ATOM 73 O LEU A 5 75.810 68.570 37.490 1.00 0.00 O ATOM 74 CB LEU A 5 76.790 68.020 34.480 1.00 0.00 C ATOM 75 CG LEU A 5 76.220 66.670 34.850 1.00 0.00 C ATOM 76 CD1 LEU A 5 74.930 66.770 35.590 1.00 0.00 C ATOM 77 CD2 LEU A 5 75.980 65.840 33.640 1.00 0.00 C ATOM 0 H LEU A 5 77.906 67.469 37.122 1.00 0.00 H new ATOM 0 HA LEU A 5 77.568 69.776 35.319 1.00 0.00 H new ATOM 0 HB2 LEU A 5 76.062 68.569 33.883 1.00 0.00 H new ATOM 0 HB3 LEU A 5 77.673 67.881 33.856 1.00 0.00 H new ATOM 0 HG LEU A 5 76.967 66.208 35.496 1.00 0.00 H new ATOM 0 HD11 LEU A 5 74.569 65.770 35.829 1.00 0.00 H new ATOM 0 HD12 LEU A 5 75.082 67.331 36.512 1.00 0.00 H new ATOM 0 HD13 LEU A 5 74.194 67.283 34.971 1.00 0.00 H new ATOM 0 HD21 LEU A 5 75.570 64.875 33.936 1.00 0.00 H new ATOM 0 HD22 LEU A 5 75.273 66.349 32.984 1.00 0.00 H new ATOM 0 HD23 LEU A 5 76.921 65.688 33.111 1.00 0.00 H new ATOM 89 N VAL A 6 75.160 70.110 35.990 1.00 0.00 N ATOM 90 CA VAL A 6 73.850 70.540 36.500 1.00 0.00 C ATOM 91 C VAL A 6 72.870 70.160 35.430 1.00 0.00 C ATOM 92 O VAL A 6 73.170 70.350 34.260 1.00 0.00 O ATOM 93 CB VAL A 6 73.790 72.050 36.750 1.00 0.00 C ATOM 94 CG1 VAL A 6 72.400 72.470 37.250 1.00 0.00 C ATOM 95 CG2 VAL A 6 74.800 72.410 37.770 1.00 0.00 C ATOM 0 H VAL A 6 75.406 70.593 35.126 1.00 0.00 H new ATOM 0 HA VAL A 6 73.638 70.069 37.460 1.00 0.00 H new ATOM 0 HB VAL A 6 73.992 72.567 35.812 1.00 0.00 H new ATOM 0 HG11 VAL A 6 72.384 73.547 37.420 1.00 0.00 H new ATOM 0 HG12 VAL A 6 71.650 72.210 36.503 1.00 0.00 H new ATOM 0 HG13 VAL A 6 72.177 71.952 38.183 1.00 0.00 H new ATOM 0 HG21 VAL A 6 74.764 73.484 37.954 1.00 0.00 H new ATOM 0 HG22 VAL A 6 74.588 71.876 38.696 1.00 0.00 H new ATOM 0 HG23 VAL A 6 75.792 72.136 37.412 1.00 0.00 H new ATOM 105 N LEU A 7 71.700 69.620 35.750 1.00 0.00 N ATOM 106 CA LEU A 7 70.670 69.490 34.710 1.00 0.00 C ATOM 107 C LEU A 7 69.550 70.400 35.060 1.00 0.00 C ATOM 108 O LEU A 7 69.240 70.560 36.210 1.00 0.00 O ATOM 109 CB LEU A 7 70.150 68.060 34.570 1.00 0.00 C ATOM 110 CG LEU A 7 71.220 67.110 34.090 1.00 0.00 C ATOM 111 CD1 LEU A 7 70.620 65.720 34.190 1.00 0.00 C ATOM 112 CD2 LEU A 7 71.560 67.370 32.630 1.00 0.00 C ATOM 0 H LEU A 7 71.441 69.277 36.675 1.00 0.00 H new ATOM 0 HA LEU A 7 71.114 69.754 33.750 1.00 0.00 H new ATOM 0 HB2 LEU A 7 69.768 67.718 35.532 1.00 0.00 H new ATOM 0 HB3 LEU A 7 69.314 68.046 33.871 1.00 0.00 H new ATOM 0 HG LEU A 7 72.127 67.229 34.683 1.00 0.00 H new ATOM 0 HD11 LEU A 7 71.350 64.984 33.855 1.00 0.00 H new ATOM 0 HD12 LEU A 7 70.347 65.515 35.225 1.00 0.00 H new ATOM 0 HD13 LEU A 7 69.731 65.661 33.562 1.00 0.00 H new ATOM 0 HD21 LEU A 7 72.333 66.673 32.307 1.00 0.00 H new ATOM 0 HD22 LEU A 7 70.668 67.232 32.019 1.00 0.00 H new ATOM 0 HD23 LEU A 7 71.922 68.392 32.517 1.00 0.00 H new ATOM 124 N ALA A 8 68.900 70.930 34.040 1.00 0.00 N ATOM 125 CA ALA A 8 67.670 71.690 34.140 1.00 0.00 C ATOM 126 C ALA A 8 66.610 70.900 34.850 1.00 0.00 C ATOM 127 O ALA A 8 66.490 69.680 34.650 1.00 0.00 O ATOM 128 CB ALA A 8 67.170 72.070 32.760 1.00 0.00 C ATOM 0 H ALA A 8 69.230 70.838 33.079 1.00 0.00 H new ATOM 0 HA ALA A 8 67.882 72.594 34.711 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.246 72.640 32.852 1.00 0.00 H new ATOM 0 HB2 ALA A 8 67.922 72.677 32.255 1.00 0.00 H new ATOM 0 HB3 ALA A 8 66.983 71.167 32.179 1.00 0.00 H new ATOM 134 N LYS A 9 65.780 71.610 35.610 1.00 0.00 N ATOM 135 CA LYS A 9 64.500 71.030 36.030 1.00 0.00 C ATOM 136 C LYS A 9 63.570 70.750 34.860 1.00 0.00 C ATOM 137 O LYS A 9 62.940 69.680 34.860 1.00 0.00 O ATOM 138 CB LYS A 9 63.840 71.970 37.040 1.00 0.00 C ATOM 139 CG LYS A 9 62.500 71.400 37.520 1.00 0.00 C ATOM 140 CD LYS A 9 61.900 72.300 38.600 1.00 0.00 C ATOM 141 CE LYS A 9 60.540 71.770 39.050 1.00 0.00 C ATOM 142 NZ LYS A 9 59.960 72.660 40.080 1.00 0.00 N ATOM 0 H LYS A 9 65.958 72.558 35.941 1.00 0.00 H new ATOM 0 HA LYS A 9 64.699 70.063 36.493 1.00 0.00 H new ATOM 0 HB2 LYS A 9 64.503 72.119 37.892 1.00 0.00 H new ATOM 0 HB3 LYS A 9 63.682 72.948 36.584 1.00 0.00 H new ATOM 0 HG2 LYS A 9 61.810 71.318 36.680 1.00 0.00 H new ATOM 0 HG3 LYS A 9 62.645 70.394 37.914 1.00 0.00 H new ATOM 0 HD2 LYS A 9 62.576 72.353 39.453 1.00 0.00 H new ATOM 0 HD3 LYS A 9 61.792 73.314 38.216 1.00 0.00 H new ATOM 0 HE2 LYS A 9 59.867 71.703 38.195 1.00 0.00 H new ATOM 0 HE3 LYS A 9 60.649 70.762 39.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 59.035 72.289 40.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 60.597 72.702 40.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 59.839 73.615 39.686 1.00 0.00 H new ATOM 156 N ASN A 10 63.380 71.640 33.920 1.00 0.00 N ATOM 157 CA ASN A 10 62.130 71.740 33.220 1.00 0.00 C ATOM 158 C ASN A 10 61.730 70.510 32.430 1.00 0.00 C ATOM 159 O ASN A 10 60.620 70.040 32.570 1.00 0.00 O ATOM 160 CB ASN A 10 62.130 72.990 32.360 1.00 0.00 C ATOM 161 CG ASN A 10 61.920 74.270 33.200 1.00 0.00 C ATOM 162 OD1 ASN A 10 61.760 74.320 34.390 1.00 0.00 O ATOM 163 ND2 ASN A 10 61.990 75.410 32.570 1.00 0.00 N ATOM 0 H ASN A 10 64.086 72.313 33.621 1.00 0.00 H new ATOM 0 HA ASN A 10 61.357 71.813 33.985 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.076 73.060 31.822 1.00 0.00 H new ATOM 0 HB3 ASN A 10 61.342 72.915 31.611 1.00 0.00 H new ATOM 0 HD21 ASN A 10 61.910 76.285 33.088 1.00 0.00 H new ATOM 0 HD22 ASN A 10 62.125 75.427 31.559 1.00 0.00 H new ATOM 170 N THR A 11 62.660 70.000 31.640 1.00 0.00 N ATOM 171 CA THR A 11 62.520 68.790 30.800 1.00 0.00 C ATOM 172 C THR A 11 62.630 67.470 31.520 1.00 0.00 C ATOM 173 O THR A 11 61.940 66.520 31.100 1.00 0.00 O ATOM 174 CB THR A 11 63.600 68.830 29.740 1.00 0.00 C ATOM 175 OG1 THR A 11 64.820 68.930 30.320 1.00 0.00 O ATOM 176 CG2 THR A 11 63.440 70.070 28.880 1.00 0.00 C ATOM 0 H THR A 11 63.582 70.428 31.552 1.00 0.00 H new ATOM 0 HA THR A 11 61.506 68.826 30.403 1.00 0.00 H new ATOM 0 HB THR A 11 63.514 67.919 29.148 1.00 0.00 H new ATOM 0 HG1 THR A 11 65.511 68.953 29.626 1.00 0.00 H new ATOM 0 HG21 THR A 11 64.222 70.089 28.121 1.00 0.00 H new ATOM 0 HG22 THR A 11 62.464 70.053 28.396 1.00 0.00 H new ATOM 0 HG23 THR A 11 63.520 70.959 29.505 1.00 0.00 H new ATOM 285 N SER A 18 67.490 72.690 41.550 1.00 0.00 N ATOM 286 CA SER A 18 68.160 73.520 42.590 1.00 0.00 C ATOM 287 C SER A 18 69.610 73.060 42.880 1.00 0.00 C ATOM 288 O SER A 18 70.270 73.530 43.810 1.00 0.00 O ATOM 289 CB SER A 18 67.360 73.620 43.890 1.00 0.00 C ATOM 290 OG SER A 18 67.400 72.390 44.560 1.00 0.00 O ATOM 0 HA SER A 18 68.206 74.521 42.160 1.00 0.00 H new ATOM 0 HB2 SER A 18 67.773 74.405 44.524 1.00 0.00 H new ATOM 0 HB3 SER A 18 66.328 73.895 43.674 1.00 0.00 H new ATOM 0 HG SER A 18 66.889 72.455 45.394 1.00 0.00 H new ATOM 296 N VAL A 19 70.090 72.130 42.060 1.00 0.00 N ATOM 297 CA VAL A 19 71.380 71.470 42.320 1.00 0.00 C ATOM 298 C VAL A 19 72.540 72.430 42.120 1.00 0.00 C ATOM 299 O VAL A 19 73.480 72.400 42.880 1.00 0.00 O ATOM 300 CB VAL A 19 71.610 70.270 41.400 1.00 0.00 C ATOM 301 CG1 VAL A 19 70.490 69.280 41.620 1.00 0.00 C ATOM 302 CG2 VAL A 19 71.560 70.650 39.940 1.00 0.00 C ATOM 0 H VAL A 19 69.615 71.813 41.215 1.00 0.00 H new ATOM 0 HA VAL A 19 71.337 71.133 43.356 1.00 0.00 H new ATOM 0 HB VAL A 19 72.594 69.864 41.634 1.00 0.00 H new ATOM 0 HG11 VAL A 19 70.636 68.416 40.972 1.00 0.00 H new ATOM 0 HG12 VAL A 19 70.489 68.957 42.661 1.00 0.00 H new ATOM 0 HG13 VAL A 19 69.536 69.752 41.386 1.00 0.00 H new ATOM 0 HG21 VAL A 19 71.729 69.764 39.328 1.00 0.00 H new ATOM 0 HG22 VAL A 19 70.582 71.071 39.707 1.00 0.00 H new ATOM 0 HG23 VAL A 19 72.333 71.389 39.730 1.00 0.00 H new ATOM 312 N GLU A 20 72.410 73.390 41.210 1.00 0.00 N ATOM 313 CA GLU A 20 73.490 74.320 41.020 1.00 0.00 C ATOM 314 C GLU A 20 73.700 75.160 42.260 1.00 0.00 C ATOM 315 O GLU A 20 74.840 75.380 42.630 1.00 0.00 O ATOM 316 CB GLU A 20 73.180 75.190 39.830 1.00 0.00 C ATOM 317 CG GLU A 20 74.300 76.160 39.590 1.00 0.00 C ATOM 318 CD GLU A 20 75.630 75.540 39.180 1.00 0.00 C ATOM 319 OE1 GLU A 20 75.710 74.390 39.200 1.00 0.00 O ATOM 320 OE2 GLU A 20 76.640 76.250 38.980 1.00 0.00 O ATOM 0 H GLU A 20 71.593 73.534 40.616 1.00 0.00 H new ATOM 0 HA GLU A 20 74.414 73.771 40.837 1.00 0.00 H new ATOM 0 HB2 GLU A 20 73.031 74.570 38.946 1.00 0.00 H new ATOM 0 HB3 GLU A 20 72.250 75.732 39.999 1.00 0.00 H new ATOM 0 HG2 GLU A 20 73.991 76.860 38.814 1.00 0.00 H new ATOM 0 HG3 GLU A 20 74.455 76.741 40.499 1.00 0.00 H new ATOM 327 N LEU A 21 72.660 75.670 42.950 1.00 0.00 N ATOM 328 CA LEU A 21 72.940 76.520 44.120 1.00 0.00 C ATOM 329 C LEU A 21 73.730 75.780 45.210 1.00 0.00 C ATOM 330 O LEU A 21 74.680 76.290 45.800 1.00 0.00 O ATOM 331 CB LEU A 21 71.640 77.090 44.710 1.00 0.00 C ATOM 332 CG LEU A 21 70.870 77.960 43.710 1.00 0.00 C ATOM 333 CD1 LEU A 21 69.560 78.430 44.290 1.00 0.00 C ATOM 334 CD2 LEU A 21 71.660 79.200 43.350 1.00 0.00 C ATOM 0 H LEU A 21 71.674 75.520 42.734 1.00 0.00 H new ATOM 0 HA LEU A 21 73.562 77.341 43.763 1.00 0.00 H new ATOM 0 HB2 LEU A 21 71.003 76.268 45.037 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.876 77.682 45.595 1.00 0.00 H new ATOM 0 HG LEU A 21 70.699 77.340 42.830 1.00 0.00 H new ATOM 0 HD11 LEU A 21 69.037 79.045 43.557 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.945 77.567 44.545 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.750 79.018 45.188 1.00 0.00 H new ATOM 0 HD21 LEU A 21 71.092 79.800 42.639 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.848 79.785 44.250 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.610 78.909 42.901 1.00 0.00 H new ATOM 346 N GLU A 22 73.240 74.580 45.500 1.00 0.00 N ATOM 347 CA GLU A 22 73.910 73.700 46.440 1.00 0.00 C ATOM 348 C GLU A 22 75.290 73.320 45.960 1.00 0.00 C ATOM 349 O GLU A 22 76.210 73.400 46.780 1.00 0.00 O ATOM 350 CB GLU A 22 73.080 72.450 46.630 1.00 0.00 C ATOM 351 CG GLU A 22 73.750 71.520 47.620 1.00 0.00 C ATOM 352 CD GLU A 22 72.910 70.250 47.710 1.00 0.00 C ATOM 353 OE1 GLU A 22 71.800 70.150 47.090 1.00 0.00 O ATOM 354 OE2 GLU A 22 73.280 69.380 48.350 1.00 0.00 O ATOM 0 H GLU A 22 72.384 74.198 45.097 1.00 0.00 H new ATOM 0 HA GLU A 22 74.018 74.231 47.386 1.00 0.00 H new ATOM 0 HB2 GLU A 22 72.085 72.717 46.987 1.00 0.00 H new ATOM 0 HB3 GLU A 22 72.950 71.942 45.674 1.00 0.00 H new ATOM 0 HG2 GLU A 22 74.764 71.285 47.297 1.00 0.00 H new ATOM 0 HG3 GLU A 22 73.829 71.996 48.598 1.00 0.00 H new ATOM 361 N ASP A 23 75.440 73.040 44.690 1.00 0.00 N ATOM 362 CA ASP A 23 76.720 72.600 44.130 1.00 0.00 C ATOM 363 C ASP A 23 77.710 73.680 44.090 1.00 0.00 C ATOM 364 O ASP A 23 78.870 73.450 44.390 1.00 0.00 O ATOM 365 CB ASP A 23 76.560 72.070 42.690 1.00 0.00 C ATOM 366 CG ASP A 23 75.890 70.770 42.880 1.00 0.00 C ATOM 367 OD1 ASP A 23 75.840 70.310 43.920 1.00 0.00 O ATOM 368 OD2 ASP A 23 75.310 70.280 41.760 1.00 0.00 O ATOM 0 H ASP A 23 74.687 73.106 44.005 1.00 0.00 H new ATOM 0 HA ASP A 23 77.066 71.806 44.792 1.00 0.00 H new ATOM 0 HB2 ASP A 23 75.963 72.745 42.077 1.00 0.00 H new ATOM 0 HB3 ASP A 23 77.524 71.957 42.193 1.00 0.00 H new ATOM 373 N LEU A 24 77.240 74.890 43.830 1.00 0.00 N ATOM 374 CA LEU A 24 78.140 76.020 43.800 1.00 0.00 C ATOM 375 C LEU A 24 78.830 76.100 45.180 1.00 0.00 C ATOM 376 O LEU A 24 80.050 76.130 45.240 1.00 0.00 O ATOM 377 CB LEU A 24 77.380 77.310 43.470 1.00 0.00 C ATOM 378 CG LEU A 24 77.600 77.770 42.020 1.00 0.00 C ATOM 379 CD1 LEU A 24 76.380 78.410 41.460 1.00 0.00 C ATOM 380 CD2 LEU A 24 78.700 78.810 42.000 1.00 0.00 C ATOM 0 H LEU A 24 76.262 75.108 43.641 1.00 0.00 H new ATOM 0 HA LEU A 24 78.891 75.896 43.019 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.315 77.154 43.640 1.00 0.00 H new ATOM 0 HB3 LEU A 24 77.699 78.100 44.150 1.00 0.00 H new ATOM 0 HG LEU A 24 77.854 76.892 41.426 1.00 0.00 H new ATOM 0 HD11 LEU A 24 76.572 78.723 40.434 1.00 0.00 H new ATOM 0 HD12 LEU A 24 75.556 77.697 41.474 1.00 0.00 H new ATOM 0 HD13 LEU A 24 76.117 79.280 42.061 1.00 0.00 H new ATOM 0 HD21 LEU A 24 78.866 79.145 40.976 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.408 79.660 42.617 1.00 0.00 H new ATOM 0 HD23 LEU A 24 79.619 78.375 42.393 1.00 0.00 H new ATOM 392 N TYR A 25 78.060 76.130 46.290 1.00 0.00 N ATOM 393 CA TYR A 25 78.590 76.250 47.650 1.00 0.00 C ATOM 394 C TYR A 25 79.490 75.050 47.940 1.00 0.00 C ATOM 395 O TYR A 25 80.620 75.260 48.420 1.00 0.00 O ATOM 396 CB TYR A 25 77.460 76.310 48.700 1.00 0.00 C ATOM 397 CG TYR A 25 78.020 76.380 50.120 1.00 0.00 C ATOM 398 CD1 TYR A 25 78.390 77.630 50.660 1.00 0.00 C ATOM 399 CD2 TYR A 25 78.210 75.200 50.850 1.00 0.00 C ATOM 400 CE1 TYR A 25 78.860 77.700 52.000 1.00 0.00 C ATOM 401 CE2 TYR A 25 78.670 75.260 52.170 1.00 0.00 C ATOM 402 CZ TYR A 25 78.890 76.490 52.780 1.00 0.00 C ATOM 403 OH TYR A 25 79.590 76.400 53.950 1.00 0.00 O ATOM 0 H TYR A 25 77.042 76.070 46.257 1.00 0.00 H new ATOM 0 HA TYR A 25 79.156 77.179 47.716 1.00 0.00 H new ATOM 0 HB2 TYR A 25 76.832 77.181 48.512 1.00 0.00 H new ATOM 0 HB3 TYR A 25 76.823 75.431 48.602 1.00 0.00 H new ATOM 0 HD1 TYR A 25 78.317 78.526 50.061 1.00 0.00 H new ATOM 0 HD2 TYR A 25 78.001 74.244 50.394 1.00 0.00 H new ATOM 0 HE1 TYR A 25 79.187 78.639 52.423 1.00 0.00 H new ATOM 0 HE2 TYR A 25 78.855 74.347 52.717 1.00 0.00 H new ATOM 0 HH TYR A 25 79.484 75.501 54.326 1.00 0.00 H new ATOM 413 N HIS A 26 79.000 73.850 47.670 1.00 0.00 N ATOM 414 CA HIS A 26 79.700 72.650 48.090 1.00 0.00 C ATOM 415 C HIS A 26 80.910 72.350 47.250 1.00 0.00 C ATOM 416 O HIS A 26 81.920 72.040 47.860 1.00 0.00 O ATOM 417 CB HIS A 26 78.770 71.450 48.110 1.00 0.00 C ATOM 418 CG HIS A 26 77.750 71.530 49.220 1.00 0.00 C ATOM 419 ND1 HIS A 26 76.640 72.320 49.190 1.00 0.00 N ATOM 420 CD2 HIS A 26 77.730 70.880 50.420 1.00 0.00 C ATOM 421 CE1 HIS A 26 75.950 72.150 50.310 1.00 0.00 C ATOM 422 NE2 HIS A 26 76.570 71.280 51.100 1.00 0.00 N ATOM 0 H HIS A 26 78.129 73.683 47.167 1.00 0.00 H new ATOM 0 HA HIS A 26 80.052 72.848 49.103 1.00 0.00 H new ATOM 0 HB2 HIS A 26 78.255 71.377 47.152 1.00 0.00 H new ATOM 0 HB3 HIS A 26 79.358 70.540 48.226 1.00 0.00 H new ATOM 0 HD1 HIS A 26 76.380 72.944 48.426 1.00 0.00 H new ATOM 0 HD2 HIS A 26 78.473 70.184 50.781 1.00 0.00 H new ATOM 0 HE1 HIS A 26 75.020 72.646 50.545 1.00 0.00 H new ATOM 430 N GLU A 27 80.870 72.510 45.920 1.00 0.00 N ATOM 431 CA GLU A 27 82.010 72.360 45.040 1.00 0.00 C ATOM 432 C GLU A 27 83.090 73.260 45.440 1.00 0.00 C ATOM 433 O GLU A 27 84.220 72.810 45.560 1.00 0.00 O ATOM 434 CB GLU A 27 81.690 72.420 43.580 1.00 0.00 C ATOM 435 CG GLU A 27 80.810 71.270 43.120 1.00 0.00 C ATOM 436 CD GLU A 27 80.700 71.270 41.620 1.00 0.00 C ATOM 437 OE1 GLU A 27 81.360 72.090 40.920 1.00 0.00 O ATOM 438 OE2 GLU A 27 80.110 70.290 41.190 1.00 0.00 O ATOM 0 H GLU A 27 80.013 72.754 45.424 1.00 0.00 H new ATOM 0 HA GLU A 27 82.363 71.337 45.167 1.00 0.00 H new ATOM 0 HB2 GLU A 27 81.190 73.364 43.361 1.00 0.00 H new ATOM 0 HB3 GLU A 27 82.618 72.411 43.009 1.00 0.00 H new ATOM 0 HG2 GLU A 27 81.228 70.323 43.462 1.00 0.00 H new ATOM 0 HG3 GLU A 27 79.819 71.360 43.565 1.00 0.00 H new ATOM 445 N PHE A 28 82.720 74.480 45.690 1.00 0.00 N ATOM 446 CA PHE A 28 83.700 75.450 46.070 1.00 0.00 C ATOM 447 C PHE A 28 84.420 74.990 47.290 1.00 0.00 C ATOM 448 O PHE A 28 85.720 74.960 47.280 1.00 0.00 O ATOM 449 CB PHE A 28 82.950 76.790 46.180 1.00 0.00 C ATOM 450 CG PHE A 28 83.780 77.950 46.670 1.00 0.00 C ATOM 451 CD1 PHE A 28 84.970 77.780 47.390 1.00 0.00 C ATOM 452 CD2 PHE A 28 83.430 79.260 46.470 1.00 0.00 C ATOM 453 CE1 PHE A 28 85.780 78.800 47.850 1.00 0.00 C ATOM 454 CE2 PHE A 28 84.240 80.300 46.960 1.00 0.00 C ATOM 455 CZ PHE A 28 85.440 80.040 47.650 1.00 0.00 C ATOM 0 H PHE A 28 81.761 74.823 45.639 1.00 0.00 H new ATOM 0 HA PHE A 28 84.501 75.586 45.343 1.00 0.00 H new ATOM 0 HB2 PHE A 28 82.544 77.042 45.201 1.00 0.00 H new ATOM 0 HB3 PHE A 28 82.102 76.660 46.853 1.00 0.00 H new ATOM 0 HD1 PHE A 28 85.280 76.767 47.603 1.00 0.00 H new ATOM 0 HD2 PHE A 28 82.524 79.496 45.931 1.00 0.00 H new ATOM 0 HE1 PHE A 28 86.695 78.568 48.375 1.00 0.00 H new ATOM 0 HE2 PHE A 28 83.934 81.324 46.803 1.00 0.00 H new ATOM 0 HZ PHE A 28 86.062 80.849 48.004 1.00 0.00 H new ATOM 465 N SER A 29 83.730 74.880 48.370 1.00 0.00 N ATOM 466 CA SER A 29 84.270 74.610 49.680 1.00 0.00 C ATOM 467 C SER A 29 85.110 73.380 49.660 1.00 0.00 C ATOM 468 O SER A 29 86.190 73.420 50.280 1.00 0.00 O ATOM 469 CB SER A 29 83.130 74.430 50.660 1.00 0.00 C ATOM 470 OG SER A 29 82.490 73.180 50.520 1.00 0.00 O ATOM 0 H SER A 29 82.715 74.980 48.376 1.00 0.00 H new ATOM 0 HA SER A 29 84.895 75.450 49.984 1.00 0.00 H new ATOM 0 HB2 SER A 29 83.510 74.528 51.677 1.00 0.00 H new ATOM 0 HB3 SER A 29 82.400 75.227 50.514 1.00 0.00 H new ATOM 0 HG SER A 29 82.271 73.028 49.577 1.00 0.00 H new ATOM 476 N GLU A 30 84.640 72.330 49.000 1.00 0.00 N ATOM 477 CA GLU A 30 85.330 71.060 48.980 1.00 0.00 C ATOM 478 C GLU A 30 86.560 71.160 48.160 1.00 0.00 C ATOM 479 O GLU A 30 87.570 70.600 48.590 1.00 0.00 O ATOM 480 CB GLU A 30 84.480 69.990 48.380 1.00 0.00 C ATOM 481 CG GLU A 30 83.270 69.680 49.220 1.00 0.00 C ATOM 482 CD GLU A 30 82.290 68.590 48.660 1.00 0.00 C ATOM 483 OE1 GLU A 30 82.590 67.840 47.720 1.00 0.00 O ATOM 484 OE2 GLU A 30 81.310 68.280 49.380 1.00 0.00 O ATOM 0 H GLU A 30 83.771 72.341 48.466 1.00 0.00 H new ATOM 0 HA GLU A 30 85.568 70.808 50.014 1.00 0.00 H new ATOM 0 HB2 GLU A 30 84.159 70.300 47.385 1.00 0.00 H new ATOM 0 HB3 GLU A 30 85.074 69.085 48.256 1.00 0.00 H new ATOM 0 HG2 GLU A 30 83.611 69.359 50.204 1.00 0.00 H new ATOM 0 HG3 GLU A 30 82.708 70.603 49.363 1.00 0.00 H new ATOM 491 N ASP A 31 86.460 71.770 46.990 1.00 0.00 N ATOM 492 CA ASP A 31 87.360 71.600 45.850 1.00 0.00 C ATOM 493 C ASP A 31 87.420 72.790 44.910 1.00 0.00 C ATOM 494 O ASP A 31 86.520 73.620 44.920 1.00 0.00 O ATOM 495 CB ASP A 31 87.030 70.280 45.090 1.00 0.00 C ATOM 496 CG ASP A 31 88.280 69.910 44.310 1.00 0.00 C ATOM 497 OD1 ASP A 31 89.290 70.480 44.310 1.00 0.00 O ATOM 498 OD2 ASP A 31 88.180 68.700 43.670 1.00 0.00 O ATOM 0 H ASP A 31 85.710 72.433 46.795 1.00 0.00 H new ATOM 0 HA ASP A 31 88.365 71.532 46.268 1.00 0.00 H new ATOM 0 HB2 ASP A 31 86.759 69.488 45.788 1.00 0.00 H new ATOM 0 HB3 ASP A 31 86.181 70.419 44.420 1.00 0.00 H new ATOM 503 N LYS A 32 88.400 72.960 44.030 1.00 0.00 N ATOM 504 CA LYS A 32 88.310 73.920 42.940 1.00 0.00 C ATOM 505 C LYS A 32 88.310 73.430 41.480 1.00 0.00 C ATOM 506 O LYS A 32 89.280 72.800 40.990 1.00 0.00 O ATOM 507 CB LYS A 32 89.330 74.990 43.200 1.00 0.00 C ATOM 508 CG LYS A 32 90.760 74.450 43.090 1.00 0.00 C ATOM 509 CD LYS A 32 91.770 75.550 43.320 1.00 0.00 C ATOM 510 CE LYS A 32 93.180 75.010 43.260 1.00 0.00 C ATOM 511 NZ LYS A 32 94.140 76.070 43.470 1.00 0.00 N ATOM 0 H LYS A 32 89.276 72.438 44.053 1.00 0.00 H new ATOM 0 HA LYS A 32 87.284 74.287 42.976 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.193 75.804 42.488 1.00 0.00 H new ATOM 0 HB3 LYS A 32 89.174 75.407 44.195 1.00 0.00 H new ATOM 0 HG2 LYS A 32 90.910 73.655 43.820 1.00 0.00 H new ATOM 0 HG3 LYS A 32 90.913 74.011 42.104 1.00 0.00 H new ATOM 0 HD2 LYS A 32 91.643 76.329 42.568 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.595 76.013 44.291 1.00 0.00 H new ATOM 0 HE2 LYS A 32 93.312 74.237 44.017 1.00 0.00 H new ATOM 0 HE3 LYS A 32 93.355 74.540 42.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 95.103 75.680 43.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 94.025 76.794 42.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 93.984 76.500 44.404 1.00 0.00 H new ATOM 525 N ARG A 33 87.180 73.630 40.820 1.00 0.00 N ATOM 526 CA ARG A 33 86.590 72.670 39.850 1.00 0.00 C ATOM 527 C ARG A 33 85.470 73.330 39.050 1.00 0.00 C ATOM 528 O ARG A 33 85.160 74.490 39.320 1.00 0.00 O ATOM 529 CB ARG A 33 86.040 71.470 40.630 1.00 0.00 C ATOM 530 CG ARG A 33 84.980 71.920 41.640 1.00 0.00 C ATOM 531 CD ARG A 33 84.300 70.690 42.220 1.00 0.00 C ATOM 532 NE ARG A 33 83.510 69.990 41.210 1.00 0.00 N ATOM 533 CZ ARG A 33 82.850 68.880 41.450 1.00 0.00 C ATOM 534 NH1 ARG A 33 82.950 68.300 42.610 1.00 0.00 N ATOM 535 NH2 ARG A 33 82.240 68.250 40.480 1.00 0.00 N ATOM 0 H ARG A 33 86.622 74.476 40.933 1.00 0.00 H new ATOM 0 HA ARG A 33 87.357 72.344 39.148 1.00 0.00 H new ATOM 0 HB2 ARG A 33 85.607 70.748 39.938 1.00 0.00 H new ATOM 0 HB3 ARG A 33 86.854 70.964 41.150 1.00 0.00 H new ATOM 0 HG2 ARG A 33 85.441 72.506 42.435 1.00 0.00 H new ATOM 0 HG3 ARG A 33 84.246 72.563 41.155 1.00 0.00 H new ATOM 0 HD2 ARG A 33 85.052 70.015 42.627 1.00 0.00 H new ATOM 0 HD3 ARG A 33 83.655 70.985 43.048 1.00 0.00 H new ATOM 0 HE ARG A 33 83.469 70.384 40.270 1.00 0.00 H new ATOM 0 HH11 ARG A 33 83.541 68.707 43.334 1.00 0.00 H new ATOM 0 HH12 ARG A 33 82.437 67.438 42.795 1.00 0.00 H new ATOM 0 HH21 ARG A 33 82.275 68.620 39.530 1.00 0.00 H new ATOM 0 HH22 ARG A 33 81.729 67.388 40.673 1.00 0.00 H new ATOM 549 N SER A 34 84.970 72.690 38.000 1.00 0.00 N ATOM 550 CA SER A 34 84.220 73.360 36.930 1.00 0.00 C ATOM 551 C SER A 34 83.010 72.510 36.550 1.00 0.00 C ATOM 552 O SER A 34 83.080 71.260 36.730 1.00 0.00 O ATOM 553 CB SER A 34 85.110 73.630 35.700 1.00 0.00 C ATOM 554 OG SER A 34 85.350 72.410 35.130 1.00 0.00 O ATOM 0 H SER A 34 85.071 71.685 37.861 1.00 0.00 H new ATOM 0 HA SER A 34 83.879 74.328 37.297 1.00 0.00 H new ATOM 0 HB2 SER A 34 84.611 74.297 34.997 1.00 0.00 H new ATOM 0 HB3 SER A 34 86.042 74.114 35.992 1.00 0.00 H new ATOM 0 HG SER A 34 85.700 72.536 34.223 1.00 0.00 H new ATOM 560 N ILE A 35 81.970 73.090 35.970 1.00 0.00 N ATOM 561 CA ILE A 35 80.700 72.430 35.680 1.00 0.00 C ATOM 562 C ILE A 35 80.260 72.700 34.250 1.00 0.00 C ATOM 563 O ILE A 35 80.570 73.720 33.630 1.00 0.00 O ATOM 564 CB ILE A 35 79.590 72.850 36.660 1.00 0.00 C ATOM 565 CG1 ILE A 35 80.000 72.530 38.090 1.00 0.00 C ATOM 566 CG2 ILE A 35 78.280 72.150 36.350 1.00 0.00 C ATOM 567 CD1 ILE A 35 79.010 73.040 39.120 1.00 0.00 C ATOM 0 H ILE A 35 81.985 74.067 35.677 1.00 0.00 H new ATOM 0 HA ILE A 35 80.867 71.360 35.805 1.00 0.00 H new ATOM 0 HB ILE A 35 79.445 73.924 36.548 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.105 71.451 38.199 1.00 0.00 H new ATOM 0 HG13 ILE A 35 80.979 72.967 38.288 1.00 0.00 H new ATOM 0 HG21 ILE A 35 77.519 72.470 37.062 1.00 0.00 H new ATOM 0 HG22 ILE A 35 77.962 72.405 35.339 1.00 0.00 H new ATOM 0 HG23 ILE A 35 78.417 71.071 36.426 1.00 0.00 H new ATOM 0 HD11 ILE A 35 79.359 72.780 40.120 1.00 0.00 H new ATOM 0 HD12 ILE A 35 78.923 74.123 39.036 1.00 0.00 H new ATOM 0 HD13 ILE A 35 78.036 72.583 38.946 1.00 0.00 H new ATOM 579 N PHE A 36 79.550 71.730 33.700 1.00 0.00 N ATOM 580 CA PHE A 36 78.690 71.970 32.580 1.00 0.00 C ATOM 581 C PHE A 36 77.290 72.080 33.090 1.00 0.00 C ATOM 582 O PHE A 36 76.770 71.190 33.740 1.00 0.00 O ATOM 583 CB PHE A 36 78.780 70.820 31.580 1.00 0.00 C ATOM 584 CG PHE A 36 79.970 70.960 30.670 1.00 0.00 C ATOM 585 CD1 PHE A 36 79.860 71.720 29.500 1.00 0.00 C ATOM 586 CD2 PHE A 36 81.180 70.340 31.020 1.00 0.00 C ATOM 587 CE1 PHE A 36 80.970 71.840 28.660 1.00 0.00 C ATOM 588 CE2 PHE A 36 82.280 70.460 30.180 1.00 0.00 C ATOM 589 CZ PHE A 36 82.160 71.190 29.010 1.00 0.00 C ATOM 0 H PHE A 36 79.561 70.763 34.023 1.00 0.00 H new ATOM 0 HA PHE A 36 78.991 72.887 32.073 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.844 69.875 32.119 1.00 0.00 H new ATOM 0 HB3 PHE A 36 77.869 70.786 30.983 1.00 0.00 H new ATOM 0 HD1 PHE A 36 78.929 72.207 29.250 1.00 0.00 H new ATOM 0 HD2 PHE A 36 81.255 69.773 31.936 1.00 0.00 H new ATOM 0 HE1 PHE A 36 80.911 72.425 27.754 1.00 0.00 H new ATOM 0 HE2 PHE A 36 83.218 69.989 30.437 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.010 71.260 28.347 1.00 0.00 H new ATOM 599 N TYR A 37 76.640 73.170 32.720 1.00 0.00 N ATOM 600 CA TYR A 37 75.230 73.270 33.000 1.00 0.00 C ATOM 601 C TYR A 37 74.430 72.870 31.770 1.00 0.00 C ATOM 602 O TYR A 37 74.420 73.630 30.810 1.00 0.00 O ATOM 603 CB TYR A 37 74.910 74.670 33.480 1.00 0.00 C ATOM 604 CG TYR A 37 73.570 74.800 34.120 1.00 0.00 C ATOM 605 CD1 TYR A 37 72.480 74.030 33.750 1.00 0.00 C ATOM 606 CD2 TYR A 37 73.380 75.710 35.130 1.00 0.00 C ATOM 607 CE1 TYR A 37 71.250 74.120 34.370 1.00 0.00 C ATOM 608 CE2 TYR A 37 72.140 75.850 35.780 1.00 0.00 C ATOM 609 CZ TYR A 37 71.070 75.050 35.390 1.00 0.00 C ATOM 610 OH TYR A 37 69.860 75.130 35.990 1.00 0.00 O ATOM 0 H TYR A 37 77.054 73.970 32.241 1.00 0.00 H new ATOM 0 HA TYR A 37 74.950 72.582 33.797 1.00 0.00 H new ATOM 0 HB2 TYR A 37 75.673 74.982 34.193 1.00 0.00 H new ATOM 0 HB3 TYR A 37 74.965 75.355 32.634 1.00 0.00 H new ATOM 0 HD1 TYR A 37 72.598 73.327 32.939 1.00 0.00 H new ATOM 0 HD2 TYR A 37 74.206 76.336 35.434 1.00 0.00 H new ATOM 0 HE1 TYR A 37 70.437 73.477 34.067 1.00 0.00 H new ATOM 0 HE2 TYR A 37 72.020 76.572 36.574 1.00 0.00 H new ATOM 0 HH TYR A 37 69.884 75.822 36.683 1.00 0.00 H new ATOM 620 N PHE A 38 73.670 71.760 31.850 1.00 0.00 N ATOM 621 CA PHE A 38 72.720 71.300 30.820 1.00 0.00 C ATOM 622 C PHE A 38 71.330 71.820 31.140 1.00 0.00 C ATOM 623 O PHE A 38 70.500 71.100 31.790 1.00 0.00 O ATOM 624 CB PHE A 38 72.770 69.790 30.670 1.00 0.00 C ATOM 625 CG PHE A 38 71.950 69.230 29.510 1.00 0.00 C ATOM 626 CD1 PHE A 38 70.720 69.790 29.140 1.00 0.00 C ATOM 627 CD2 PHE A 38 72.420 68.140 28.780 1.00 0.00 C ATOM 628 CE1 PHE A 38 69.980 69.330 28.070 1.00 0.00 C ATOM 629 CE2 PHE A 38 71.670 67.650 27.710 1.00 0.00 C ATOM 630 CZ PHE A 38 70.490 68.300 27.310 1.00 0.00 C ATOM 0 H PHE A 38 73.702 71.140 32.659 1.00 0.00 H new ATOM 0 HA PHE A 38 73.005 71.707 29.850 1.00 0.00 H new ATOM 0 HB2 PHE A 38 73.809 69.487 30.541 1.00 0.00 H new ATOM 0 HB3 PHE A 38 72.418 69.336 31.596 1.00 0.00 H new ATOM 0 HD1 PHE A 38 70.334 70.617 29.717 1.00 0.00 H new ATOM 0 HD2 PHE A 38 73.360 67.677 29.041 1.00 0.00 H new ATOM 0 HE1 PHE A 38 69.022 69.768 27.833 1.00 0.00 H new ATOM 0 HE2 PHE A 38 71.999 66.765 27.186 1.00 0.00 H new ATOM 0 HZ PHE A 38 69.983 67.992 26.407 1.00 0.00 H new ATOM 640 N ALA A 39 70.950 72.910 30.510 1.00 0.00 N ATOM 641 CA ALA A 39 69.630 73.480 30.680 1.00 0.00 C ATOM 642 C ALA A 39 69.030 73.900 29.360 1.00 0.00 C ATOM 643 O ALA A 39 69.740 74.280 28.460 1.00 0.00 O ATOM 644 CB ALA A 39 69.700 74.660 31.620 1.00 0.00 C ATOM 0 H ALA A 39 71.547 73.427 29.865 1.00 0.00 H new ATOM 0 HA ALA A 39 68.984 72.712 31.106 1.00 0.00 H new ATOM 0 HB1 ALA A 39 68.704 75.085 31.745 1.00 0.00 H new ATOM 0 HB2 ALA A 39 70.078 74.332 32.588 1.00 0.00 H new ATOM 0 HB3 ALA A 39 70.368 75.415 31.206 1.00 0.00 H new ATOM 650 N PRO A 40 67.710 73.810 29.210 1.00 0.00 N ATOM 651 CA PRO A 40 67.230 73.160 28.000 1.00 0.00 C ATOM 652 C PRO A 40 67.620 73.810 26.650 1.00 0.00 C ATOM 653 O PRO A 40 67.580 75.050 26.540 1.00 0.00 O ATOM 654 CB PRO A 40 65.730 73.180 28.260 1.00 0.00 C ATOM 655 CG PRO A 40 65.480 74.430 29.090 1.00 0.00 C ATOM 656 CD PRO A 40 66.660 74.430 30.030 1.00 0.00 C ATOM 0 HA PRO A 40 67.680 72.178 27.854 1.00 0.00 H new ATOM 0 HB2 PRO A 40 65.170 73.210 27.325 1.00 0.00 H new ATOM 0 HB3 PRO A 40 65.412 72.284 28.793 1.00 0.00 H new ATOM 0 HG2 PRO A 40 65.450 75.329 28.474 1.00 0.00 H new ATOM 0 HG3 PRO A 40 64.532 74.380 29.626 1.00 0.00 H new ATOM 0 HD2 PRO A 40 66.931 75.438 30.344 1.00 0.00 H new ATOM 0 HD3 PRO A 40 66.459 73.857 30.936 1.00 0.00 H new ATOM 664 N THR A 41 67.740 72.990 25.600 1.00 0.00 N ATOM 665 CA THR A 41 67.650 73.460 24.210 1.00 0.00 C ATOM 666 C THR A 41 66.260 73.840 23.780 1.00 0.00 C ATOM 667 O THR A 41 66.140 74.750 23.000 1.00 0.00 O ATOM 668 CB THR A 41 68.150 72.420 23.240 1.00 0.00 C ATOM 669 OG1 THR A 41 69.480 72.220 23.410 1.00 0.00 O ATOM 670 CG2 THR A 41 67.910 72.740 21.790 1.00 0.00 C ATOM 0 H THR A 41 67.901 71.987 25.687 1.00 0.00 H new ATOM 0 HA THR A 41 68.276 74.352 24.191 1.00 0.00 H new ATOM 0 HB THR A 41 67.570 71.526 23.471 1.00 0.00 H new ATOM 0 HG1 THR A 41 69.974 72.690 22.706 1.00 0.00 H new ATOM 0 HG21 THR A 41 68.304 71.935 21.170 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.840 72.844 21.613 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.413 73.673 21.535 1.00 0.00 H new ATOM 678 N ASN A 42 65.240 73.100 24.240 1.00 0.00 N ATOM 679 CA ASN A 42 63.840 73.240 23.870 1.00 0.00 C ATOM 680 C ASN A 42 63.220 74.540 24.340 1.00 0.00 C ATOM 681 O ASN A 42 62.420 75.090 23.580 1.00 0.00 O ATOM 682 CB ASN A 42 63.100 72.040 24.480 1.00 0.00 C ATOM 683 CG ASN A 42 63.380 70.810 23.670 1.00 0.00 C ATOM 684 OD1 ASN A 42 63.790 71.060 22.600 1.00 0.00 O ATOM 685 ND2 ASN A 42 63.270 69.620 24.280 1.00 0.00 N ATOM 0 H ASN A 42 65.387 72.350 24.916 1.00 0.00 H new ATOM 0 HA ASN A 42 63.759 73.262 22.783 1.00 0.00 H new ATOM 0 HB2 ASN A 42 63.420 71.889 25.511 1.00 0.00 H new ATOM 0 HB3 ASN A 42 62.028 72.235 24.504 1.00 0.00 H new ATOM 0 HD21 ASN A 42 63.568 68.771 23.799 1.00 0.00 H new ATOM 0 HD22 ASN A 42 62.889 69.564 25.224 1.00 0.00 H new ATOM 692 N ALA A 43 63.480 74.970 25.570 1.00 0.00 N ATOM 693 CA ALA A 43 62.710 76.070 26.100 1.00 0.00 C ATOM 694 C ALA A 43 63.420 77.450 26.170 1.00 0.00 C ATOM 695 O ALA A 43 62.790 78.380 26.210 1.00 0.00 O ATOM 696 CB ALA A 43 62.170 75.660 27.460 1.00 0.00 C ATOM 0 H ALA A 43 64.191 74.586 26.192 1.00 0.00 H new ATOM 0 HA ALA A 43 61.912 76.250 25.380 1.00 0.00 H new ATOM 0 HB1 ALA A 43 61.584 76.477 27.880 1.00 0.00 H new ATOM 0 HB2 ALA A 43 61.538 74.779 27.350 1.00 0.00 H new ATOM 0 HB3 ALA A 43 63.001 75.429 28.127 1.00 0.00 H new ATOM 702 N HIS A 44 64.780 77.440 26.200 1.00 0.00 N ATOM 703 CA HIS A 44 65.710 78.350 26.900 1.00 0.00 C ATOM 704 C HIS A 44 65.690 78.260 28.410 1.00 0.00 C ATOM 705 O HIS A 44 66.710 78.300 29.060 1.00 0.00 O ATOM 706 CB HIS A 44 65.470 79.800 26.500 1.00 0.00 C ATOM 707 CG HIS A 44 66.080 80.110 25.190 1.00 0.00 C ATOM 708 ND1 HIS A 44 67.440 80.190 24.970 1.00 0.00 N ATOM 709 CD2 HIS A 44 65.420 80.390 24.040 1.00 0.00 C ATOM 710 CE1 HIS A 44 67.580 80.540 23.710 1.00 0.00 C ATOM 711 NE2 HIS A 44 66.380 80.670 23.100 1.00 0.00 N ATOM 0 H HIS A 44 65.295 76.726 25.685 1.00 0.00 H new ATOM 0 HA HIS A 44 66.694 78.010 26.578 1.00 0.00 H new ATOM 0 HB2 HIS A 44 64.398 79.994 26.458 1.00 0.00 H new ATOM 0 HB3 HIS A 44 65.884 80.461 27.261 1.00 0.00 H new ATOM 0 HD2 HIS A 44 64.350 80.392 23.892 1.00 0.00 H new ATOM 0 HE1 HIS A 44 68.531 80.703 23.225 1.00 0.00 H new ATOM 0 HE2 HIS A 44 66.219 80.927 22.126 1.00 0.00 H new ATOM 719 N LYS A 45 64.530 78.100 29.020 1.00 0.00 N ATOM 720 CA LYS A 45 64.050 78.850 30.170 1.00 0.00 C ATOM 721 C LYS A 45 64.940 78.690 31.420 1.00 0.00 C ATOM 722 O LYS A 45 65.250 79.660 32.110 1.00 0.00 O ATOM 723 CB LYS A 45 62.620 78.370 30.430 1.00 0.00 C ATOM 724 CG LYS A 45 62.010 79.110 31.620 1.00 0.00 C ATOM 725 CD LYS A 45 60.590 78.640 31.880 1.00 0.00 C ATOM 726 CE LYS A 45 59.980 79.350 33.070 1.00 0.00 C ATOM 727 NZ LYS A 45 58.600 78.870 33.320 1.00 0.00 N ATOM 0 H LYS A 45 63.856 77.401 28.708 1.00 0.00 H new ATOM 0 HA LYS A 45 64.081 79.918 29.953 1.00 0.00 H new ATOM 0 HB2 LYS A 45 62.009 78.533 29.542 1.00 0.00 H new ATOM 0 HB3 LYS A 45 62.621 77.297 30.624 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.620 78.945 32.508 1.00 0.00 H new ATOM 0 HG3 LYS A 45 62.013 80.183 31.427 1.00 0.00 H new ATOM 0 HD2 LYS A 45 59.979 78.819 30.996 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.588 77.564 32.056 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.594 79.180 33.954 1.00 0.00 H new ATOM 0 HE3 LYS A 45 59.969 80.425 32.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 58.202 79.370 34.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 58.011 79.054 32.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.617 77.848 33.513 1.00 0.00 H new ATOM 741 N ASP A 46 65.270 77.440 31.720 1.00 0.00 N ATOM 742 CA ASP A 46 66.110 77.100 32.850 1.00 0.00 C ATOM 743 C ASP A 46 67.470 77.710 32.600 1.00 0.00 C ATOM 744 O ASP A 46 68.040 78.230 33.560 1.00 0.00 O ATOM 745 CB ASP A 46 66.270 75.590 33.070 1.00 0.00 C ATOM 746 CG ASP A 46 64.980 75.030 33.470 1.00 0.00 C ATOM 747 OD1 ASP A 46 64.230 75.650 34.050 1.00 0.00 O ATOM 748 OD2 ASP A 46 64.810 73.740 33.130 1.00 0.00 O ATOM 0 H ASP A 46 64.958 76.633 31.180 1.00 0.00 H new ATOM 0 HA ASP A 46 65.634 77.488 33.750 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.622 75.111 32.156 1.00 0.00 H new ATOM 0 HB3 ASP A 46 67.019 75.398 33.839 1.00 0.00 H new ATOM 753 N MET A 47 67.940 77.720 31.360 1.00 0.00 N ATOM 754 CA MET A 47 69.270 78.250 31.070 1.00 0.00 C ATOM 755 C MET A 47 69.290 79.720 31.390 1.00 0.00 C ATOM 756 O MET A 47 70.230 80.190 32.020 1.00 0.00 O ATOM 757 CB MET A 47 69.680 78.050 29.600 1.00 0.00 C ATOM 758 CG MET A 47 71.120 78.420 29.340 1.00 0.00 C ATOM 759 SD MET A 47 71.640 78.260 27.640 1.00 0.00 S ATOM 760 CE MET A 47 70.710 79.660 26.930 1.00 0.00 C ATOM 0 H MET A 47 67.430 77.373 30.547 1.00 0.00 H new ATOM 0 HA MET A 47 69.984 77.702 31.685 1.00 0.00 H new ATOM 0 HB2 MET A 47 69.521 77.008 29.322 1.00 0.00 H new ATOM 0 HB3 MET A 47 69.034 78.653 28.962 1.00 0.00 H new ATOM 0 HG2 MET A 47 71.279 79.450 29.658 1.00 0.00 H new ATOM 0 HG3 MET A 47 71.759 77.793 29.961 1.00 0.00 H new ATOM 0 HE1 MET A 47 71.359 80.227 26.263 1.00 0.00 H new ATOM 0 HE2 MET A 47 69.855 79.282 26.370 1.00 0.00 H new ATOM 0 HE3 MET A 47 70.360 80.309 27.733 1.00 0.00 H new ATOM 770 N LEU A 48 68.210 80.420 31.030 1.00 0.00 N ATOM 771 CA LEU A 48 68.050 81.850 31.280 1.00 0.00 C ATOM 772 C LEU A 48 68.080 82.170 32.780 1.00 0.00 C ATOM 773 O LEU A 48 68.700 83.110 33.210 1.00 0.00 O ATOM 774 CB LEU A 48 66.770 82.390 30.630 1.00 0.00 C ATOM 775 CG LEU A 48 66.790 82.320 29.100 1.00 0.00 C ATOM 776 CD1 LEU A 48 65.440 82.750 28.540 1.00 0.00 C ATOM 777 CD2 LEU A 48 67.870 83.230 28.540 1.00 0.00 C ATOM 0 H LEU A 48 67.413 80.001 30.550 1.00 0.00 H new ATOM 0 HA LEU A 48 68.899 82.354 30.819 1.00 0.00 H new ATOM 0 HB2 LEU A 48 65.916 81.824 31.001 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.624 83.426 30.937 1.00 0.00 H new ATOM 0 HG LEU A 48 66.999 81.291 28.808 1.00 0.00 H new ATOM 0 HD11 LEU A 48 65.464 82.697 27.452 1.00 0.00 H new ATOM 0 HD12 LEU A 48 64.661 82.088 28.919 1.00 0.00 H new ATOM 0 HD13 LEU A 48 65.227 83.774 28.849 1.00 0.00 H new ATOM 0 HD21 LEU A 48 67.870 83.168 27.452 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.674 84.258 28.845 1.00 0.00 H new ATOM 0 HD23 LEU A 48 68.842 82.918 28.921 1.00 0.00 H new ATOM 789 N LYS A 49 67.390 81.360 33.590 1.00 0.00 N ATOM 790 CA LYS A 49 67.400 81.430 35.060 1.00 0.00 C ATOM 791 C LYS A 49 68.780 81.170 35.630 1.00 0.00 C ATOM 792 O LYS A 49 69.150 81.820 36.620 1.00 0.00 O ATOM 793 CB LYS A 49 66.390 80.420 35.620 1.00 0.00 C ATOM 794 CG LYS A 49 64.950 80.810 35.270 1.00 0.00 C ATOM 795 CD LYS A 49 63.970 79.820 35.820 1.00 0.00 C ATOM 796 CE LYS A 49 62.520 80.150 35.480 1.00 0.00 C ATOM 797 NZ LYS A 49 61.590 79.160 36.090 1.00 0.00 N ATOM 0 H LYS A 49 66.791 80.615 33.233 1.00 0.00 H new ATOM 0 HA LYS A 49 67.117 82.440 35.357 1.00 0.00 H new ATOM 0 HB2 LYS A 49 66.606 79.429 35.221 1.00 0.00 H new ATOM 0 HB3 LYS A 49 66.498 80.359 36.703 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.732 81.801 35.669 1.00 0.00 H new ATOM 0 HG3 LYS A 49 64.840 80.871 34.187 1.00 0.00 H new ATOM 0 HD2 LYS A 49 64.210 78.829 35.433 1.00 0.00 H new ATOM 0 HD3 LYS A 49 64.080 79.774 36.903 1.00 0.00 H new ATOM 0 HE2 LYS A 49 62.278 81.151 35.838 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.389 80.158 34.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 60.651 79.591 36.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 61.515 78.327 35.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 61.954 78.869 37.020 1.00 0.00 H new ATOM 811 N ALA A 50 69.530 80.250 35.040 1.00 0.00 N ATOM 812 CA ALA A 50 70.880 79.940 35.480 1.00 0.00 C ATOM 813 C ALA A 50 71.810 81.140 35.440 1.00 0.00 C ATOM 814 O ALA A 50 72.530 81.380 36.390 1.00 0.00 O ATOM 815 CB ALA A 50 71.480 78.840 34.630 1.00 0.00 C ATOM 0 H ALA A 50 69.218 79.697 34.242 1.00 0.00 H new ATOM 0 HA ALA A 50 70.787 79.617 36.517 1.00 0.00 H new ATOM 0 HB1 ALA A 50 72.491 78.623 34.976 1.00 0.00 H new ATOM 0 HB2 ALA A 50 70.868 77.942 34.712 1.00 0.00 H new ATOM 0 HB3 ALA A 50 71.514 79.162 33.589 1.00 0.00 H new ATOM 821 N VAL A 51 71.720 81.900 34.350 1.00 0.00 N ATOM 822 CA VAL A 51 72.550 83.090 34.150 1.00 0.00 C ATOM 823 C VAL A 51 72.290 84.030 35.340 1.00 0.00 C ATOM 824 O VAL A 51 73.160 84.560 35.990 1.00 0.00 O ATOM 825 CB VAL A 51 72.200 83.820 32.840 1.00 0.00 C ATOM 826 CG1 VAL A 51 73.060 85.040 32.690 1.00 0.00 C ATOM 827 CG2 VAL A 51 72.480 82.980 31.630 1.00 0.00 C ATOM 0 H VAL A 51 71.074 81.711 33.584 1.00 0.00 H new ATOM 0 HA VAL A 51 73.597 82.794 34.086 1.00 0.00 H new ATOM 0 HB VAL A 51 71.138 84.058 32.901 1.00 0.00 H new ATOM 0 HG11 VAL A 51 72.807 85.551 31.761 1.00 0.00 H new ATOM 0 HG12 VAL A 51 72.890 85.711 33.532 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.109 84.745 32.668 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.217 83.538 30.731 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.539 82.724 31.602 1.00 0.00 H new ATOM 0 HG23 VAL A 51 71.887 82.066 31.676 1.00 0.00 H new ATOM 837 N ASP A 52 71.020 84.190 35.710 1.00 0.00 N ATOM 838 CA ASP A 52 70.570 85.070 36.780 1.00 0.00 C ATOM 839 C ASP A 52 70.960 84.620 38.130 1.00 0.00 C ATOM 840 O ASP A 52 71.390 85.450 38.920 1.00 0.00 O ATOM 841 CB ASP A 52 69.060 85.160 36.740 1.00 0.00 C ATOM 842 CG ASP A 52 68.790 86.020 35.470 1.00 0.00 C ATOM 843 OD1 ASP A 52 69.690 86.630 34.910 1.00 0.00 O ATOM 844 OD2 ASP A 52 67.690 86.060 35.000 1.00 0.00 O ATOM 0 H ASP A 52 70.253 83.693 35.256 1.00 0.00 H new ATOM 0 HA ASP A 52 71.051 86.032 36.606 1.00 0.00 H new ATOM 0 HB2 ASP A 52 68.599 84.175 36.665 1.00 0.00 H new ATOM 0 HB3 ASP A 52 68.660 85.631 37.638 1.00 0.00 H new ATOM 849 N PHE A 53 70.890 83.330 38.370 1.00 0.00 N ATOM 850 CA PHE A 53 71.330 82.790 39.630 1.00 0.00 C ATOM 851 C PHE A 53 72.820 83.110 39.910 1.00 0.00 C ATOM 852 O PHE A 53 73.210 83.440 41.020 1.00 0.00 O ATOM 853 CB PHE A 53 70.980 81.310 39.630 1.00 0.00 C ATOM 854 CG PHE A 53 69.550 80.940 39.600 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.620 81.880 40.040 1.00 0.00 C ATOM 856 CD2 PHE A 53 69.150 79.690 39.130 1.00 0.00 C ATOM 857 CE1 PHE A 53 67.280 81.570 40.010 1.00 0.00 C ATOM 858 CE2 PHE A 53 67.800 79.370 39.100 1.00 0.00 C ATOM 859 CZ PHE A 53 66.880 80.320 39.530 1.00 0.00 C ATOM 0 H PHE A 53 70.533 82.640 37.709 1.00 0.00 H new ATOM 0 HA PHE A 53 70.816 83.262 40.467 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.463 80.852 38.767 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.423 80.861 40.519 1.00 0.00 H new ATOM 0 HD1 PHE A 53 68.948 82.843 40.401 1.00 0.00 H new ATOM 0 HD2 PHE A 53 69.886 78.975 38.792 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.546 82.284 40.353 1.00 0.00 H new ATOM 0 HE2 PHE A 53 67.471 78.403 38.750 1.00 0.00 H new ATOM 0 HZ PHE A 53 65.827 80.085 39.492 1.00 0.00 H new ATOM 869 N PHE A 54 73.640 83.010 38.860 1.00 0.00 N ATOM 870 CA PHE A 54 75.090 82.910 39.080 1.00 0.00 C ATOM 871 C PHE A 54 75.630 84.260 39.490 1.00 0.00 C ATOM 872 O PHE A 54 76.530 84.390 40.310 1.00 0.00 O ATOM 873 CB PHE A 54 75.750 82.420 37.830 1.00 0.00 C ATOM 874 CG PHE A 54 75.440 81.060 37.370 1.00 0.00 C ATOM 875 CD1 PHE A 54 75.340 80.100 38.210 1.00 0.00 C ATOM 876 CD2 PHE A 54 75.300 80.720 36.040 1.00 0.00 C ATOM 877 CE1 PHE A 54 74.820 78.910 37.870 1.00 0.00 C ATOM 878 CE2 PHE A 54 75.000 79.460 35.550 1.00 0.00 C ATOM 879 CZ PHE A 54 74.720 78.540 36.520 1.00 0.00 C ATOM 0 H PHE A 54 73.343 82.996 37.884 1.00 0.00 H new ATOM 0 HA PHE A 54 75.300 82.200 39.880 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.494 83.110 37.026 1.00 0.00 H new ATOM 0 HB3 PHE A 54 76.828 82.485 37.975 1.00 0.00 H new ATOM 0 HD1 PHE A 54 75.684 80.252 39.222 1.00 0.00 H new ATOM 0 HD2 PHE A 54 75.437 81.509 35.315 1.00 0.00 H new ATOM 0 HE1 PHE A 54 74.477 78.234 38.639 1.00 0.00 H new ATOM 0 HE2 PHE A 54 74.988 79.226 34.496 1.00 0.00 H new ATOM 0 HZ PHE A 54 74.424 77.537 36.250 1.00 0.00 H new ATOM 889 N LYS A 55 75.000 85.270 38.910 1.00 0.00 N ATOM 890 CA LYS A 55 75.110 86.670 39.230 1.00 0.00 C ATOM 891 C LYS A 55 74.520 87.050 40.560 1.00 0.00 C ATOM 892 O LYS A 55 75.070 87.930 41.170 1.00 0.00 O ATOM 893 CB LYS A 55 74.420 87.420 38.160 1.00 0.00 C ATOM 894 CG LYS A 55 75.070 87.460 36.830 1.00 0.00 C ATOM 895 CD LYS A 55 74.290 88.160 35.740 1.00 0.00 C ATOM 896 CE LYS A 55 75.020 88.130 34.420 1.00 0.00 C ATOM 897 NZ LYS A 55 74.290 88.850 33.360 1.00 0.00 N ATOM 0 H LYS A 55 74.348 85.110 38.142 1.00 0.00 H new ATOM 0 HA LYS A 55 76.171 86.910 39.300 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.425 86.992 38.036 1.00 0.00 H new ATOM 0 HB3 LYS A 55 74.286 88.447 38.501 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.037 87.953 36.933 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.266 86.436 36.511 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.316 87.684 35.627 1.00 0.00 H new ATOM 0 HD3 LYS A 55 74.108 89.195 36.031 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.008 88.574 34.544 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.172 87.095 34.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 74.830 88.802 32.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.357 88.412 33.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.167 89.845 33.637 1.00 0.00 H new ATOM 911 N GLU A 56 73.440 86.450 41.010 1.00 0.00 N ATOM 912 CA GLU A 56 72.950 86.580 42.380 1.00 0.00 C ATOM 913 C GLU A 56 73.920 86.070 43.440 1.00 0.00 C ATOM 914 O GLU A 56 74.080 86.740 44.470 1.00 0.00 O ATOM 915 CB GLU A 56 71.630 85.840 42.500 1.00 0.00 C ATOM 916 CG GLU A 56 70.520 86.550 41.730 1.00 0.00 C ATOM 917 CD GLU A 56 69.210 85.770 41.790 1.00 0.00 C ATOM 918 OE1 GLU A 56 69.210 84.610 42.280 1.00 0.00 O ATOM 919 OE2 GLU A 56 68.170 86.360 41.420 1.00 0.00 O ATOM 0 H GLU A 56 72.861 85.844 40.429 1.00 0.00 H new ATOM 0 HA GLU A 56 72.830 87.646 42.571 1.00 0.00 H new ATOM 0 HB2 GLU A 56 71.745 84.824 42.121 1.00 0.00 H new ATOM 0 HB3 GLU A 56 71.351 85.759 43.551 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.370 87.547 42.143 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.821 86.678 40.690 1.00 0.00 H new ATOM 926 N LYS A 57 74.550 84.910 43.220 1.00 0.00 N ATOM 927 CA LYS A 57 75.380 84.240 44.240 1.00 0.00 C ATOM 928 C LYS A 57 76.840 84.000 43.800 1.00 0.00 C ATOM 929 O LYS A 57 77.120 83.400 42.790 1.00 0.00 O ATOM 930 CB LYS A 57 74.730 82.930 44.610 1.00 0.00 C ATOM 931 CG LYS A 57 73.410 83.080 45.310 1.00 0.00 C ATOM 932 CD LYS A 57 72.850 81.730 45.700 1.00 0.00 C ATOM 933 CE LYS A 57 71.520 81.870 46.410 1.00 0.00 C ATOM 934 NZ LYS A 57 70.960 80.550 46.790 1.00 0.00 N ATOM 0 H LYS A 57 74.502 84.407 42.334 1.00 0.00 H new ATOM 0 HA LYS A 57 75.436 84.909 45.098 1.00 0.00 H new ATOM 0 HB2 LYS A 57 74.585 82.340 43.705 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.408 82.368 45.252 1.00 0.00 H new ATOM 0 HG2 LYS A 57 73.534 83.698 46.199 1.00 0.00 H new ATOM 0 HG3 LYS A 57 72.705 83.596 44.659 1.00 0.00 H new ATOM 0 HD2 LYS A 57 72.726 81.114 44.809 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.558 81.214 46.348 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.647 82.482 47.303 1.00 0.00 H new ATOM 0 HE3 LYS A 57 70.815 82.392 45.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 69.953 80.513 46.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 71.473 79.798 46.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 71.061 80.412 47.816 1.00 0.00 H new ATOM 948 N GLY A 58 77.760 84.320 44.710 1.00 0.00 N ATOM 949 CA GLY A 58 79.180 84.620 44.560 1.00 0.00 C ATOM 950 C GLY A 58 80.150 83.500 44.280 1.00 0.00 C ATOM 951 O GLY A 58 81.300 83.860 44.090 1.00 0.00 O ATOM 0 H GLY A 58 77.490 84.382 45.692 1.00 0.00 H new ATOM 0 HA2 GLY A 58 79.277 85.346 43.752 1.00 0.00 H new ATOM 0 HA3 GLY A 58 79.508 85.115 45.474 1.00 0.00 H new ATOM 955 N HIS A 59 79.790 82.230 44.210 1.00 0.00 N ATOM 956 CA HIS A 59 80.840 81.180 44.260 1.00 0.00 C ATOM 957 C HIS A 59 81.670 80.920 42.960 1.00 0.00 C ATOM 958 O HIS A 59 82.850 80.610 43.000 1.00 0.00 O ATOM 959 CB HIS A 59 80.200 79.890 44.760 1.00 0.00 C ATOM 960 CG HIS A 59 79.690 79.950 46.170 1.00 0.00 C ATOM 961 ND1 HIS A 59 80.500 79.970 47.290 1.00 0.00 N ATOM 962 CD2 HIS A 59 78.380 80.020 46.590 1.00 0.00 C ATOM 963 CE1 HIS A 59 79.660 80.100 48.310 1.00 0.00 C ATOM 964 NE2 HIS A 59 78.400 80.110 47.950 1.00 0.00 N ATOM 0 H HIS A 59 78.831 81.893 44.122 1.00 0.00 H new ATOM 0 HA HIS A 59 81.597 81.568 44.942 1.00 0.00 H new ATOM 0 HB2 HIS A 59 79.373 79.631 44.099 1.00 0.00 H new ATOM 0 HB3 HIS A 59 80.931 79.085 44.686 1.00 0.00 H new ATOM 0 HD1 HIS A 59 81.517 79.900 47.325 1.00 0.00 H new ATOM 0 HD2 HIS A 59 77.503 80.006 45.960 1.00 0.00 H new ATOM 0 HE1 HIS A 59 79.984 80.189 49.337 1.00 0.00 H new ATOM 972 N THR A 60 81.050 80.970 41.770 1.00 0.00 N ATOM 973 CA THR A 60 81.740 80.680 40.490 1.00 0.00 C ATOM 974 C THR A 60 82.750 81.770 40.150 1.00 0.00 C ATOM 975 O THR A 60 82.650 82.880 40.630 1.00 0.00 O ATOM 976 CB THR A 60 80.780 80.570 39.320 1.00 0.00 C ATOM 977 OG1 THR A 60 81.480 80.210 38.180 1.00 0.00 O ATOM 978 CG2 THR A 60 80.080 81.890 39.040 1.00 0.00 C ATOM 0 H THR A 60 80.065 81.210 41.662 1.00 0.00 H new ATOM 0 HA THR A 60 82.238 79.722 40.640 1.00 0.00 H new ATOM 0 HB THR A 60 80.033 79.820 39.580 1.00 0.00 H new ATOM 0 HG1 THR A 60 82.208 79.601 38.422 1.00 0.00 H new ATOM 0 HG21 THR A 60 79.401 81.770 38.196 1.00 0.00 H new ATOM 0 HG22 THR A 60 79.514 82.195 39.920 1.00 0.00 H new ATOM 0 HG23 THR A 60 80.822 82.652 38.803 1.00 0.00 H new ATOM 986 N ALA A 61 83.820 81.460 39.430 1.00 0.00 N ATOM 987 CA ALA A 61 84.880 82.410 39.110 1.00 0.00 C ATOM 988 C ALA A 61 84.330 83.050 37.890 1.00 0.00 C ATOM 989 O ALA A 61 84.490 84.280 37.730 1.00 0.00 O ATOM 990 CB ALA A 61 86.190 81.680 38.780 1.00 0.00 C ATOM 0 H ALA A 61 83.979 80.529 39.046 1.00 0.00 H new ATOM 0 HA ALA A 61 85.122 83.098 39.920 1.00 0.00 H new ATOM 0 HB1 ALA A 61 86.964 82.410 38.545 1.00 0.00 H new ATOM 0 HB2 ALA A 61 86.501 81.085 39.639 1.00 0.00 H new ATOM 0 HB3 ALA A 61 86.036 81.026 37.922 1.00 0.00 H new ATOM 996 N TYR A 62 83.690 82.250 37.050 1.00 0.00 N ATOM 997 CA TYR A 62 83.210 82.750 35.820 1.00 0.00 C ATOM 998 C TYR A 62 82.100 81.880 35.260 1.00 0.00 C ATOM 999 O TYR A 62 82.020 80.680 35.540 1.00 0.00 O ATOM 1000 CB TYR A 62 84.390 82.830 34.850 1.00 0.00 C ATOM 1001 CG TYR A 62 84.030 83.590 33.600 1.00 0.00 C ATOM 1002 CD1 TYR A 62 83.990 85.000 33.610 1.00 0.00 C ATOM 1003 CD2 TYR A 62 83.710 82.890 32.450 1.00 0.00 C ATOM 1004 CE1 TYR A 62 83.650 85.710 32.450 1.00 0.00 C ATOM 1005 CE2 TYR A 62 83.380 83.640 31.300 1.00 0.00 C ATOM 1006 CZ TYR A 62 83.310 85.030 31.290 1.00 0.00 C ATOM 1007 OH TYR A 62 82.970 85.680 30.150 1.00 0.00 O ATOM 0 H TYR A 62 83.504 81.261 37.218 1.00 0.00 H new ATOM 0 HA TYR A 62 82.780 83.740 35.969 1.00 0.00 H new ATOM 0 HB2 TYR A 62 85.233 83.315 35.341 1.00 0.00 H new ATOM 0 HB3 TYR A 62 84.712 81.823 34.584 1.00 0.00 H new ATOM 0 HD1 TYR A 62 84.223 85.536 34.518 1.00 0.00 H new ATOM 0 HD2 TYR A 62 83.713 81.810 32.433 1.00 0.00 H new ATOM 0 HE1 TYR A 62 83.653 86.790 32.460 1.00 0.00 H new ATOM 0 HE2 TYR A 62 83.172 83.109 30.383 1.00 0.00 H new ATOM 0 HH TYR A 62 82.767 85.026 29.449 1.00 0.00 H new ATOM 1017 N LEU A 63 81.300 82.470 34.380 1.00 0.00 N ATOM 1018 CA LEU A 63 80.300 81.760 33.590 1.00 0.00 C ATOM 1019 C LEU A 63 80.350 82.090 32.100 1.00 0.00 C ATOM 1020 O LEU A 63 80.260 83.280 31.760 1.00 0.00 O ATOM 1021 CB LEU A 63 78.920 82.100 34.150 1.00 0.00 C ATOM 1022 CG LEU A 63 77.790 81.520 33.290 1.00 0.00 C ATOM 1023 CD1 LEU A 63 77.820 80.010 33.310 1.00 0.00 C ATOM 1024 CD2 LEU A 63 76.490 82.010 33.770 1.00 0.00 C ATOM 0 H LEU A 63 81.328 83.472 34.192 1.00 0.00 H new ATOM 0 HA LEU A 63 80.513 80.694 33.668 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.836 81.714 35.166 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.810 83.183 34.210 1.00 0.00 H new ATOM 0 HG LEU A 63 77.936 81.849 32.261 1.00 0.00 H new ATOM 0 HD11 LEU A 63 77.009 79.622 32.693 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.775 79.660 32.917 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.698 79.657 34.334 1.00 0.00 H new ATOM 0 HD21 LEU A 63 75.694 81.593 33.153 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.345 81.703 34.806 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.465 83.098 33.707 1.00 0.00 H new ATOM 1036 N ASP A 64 80.360 81.110 31.210 1.00 0.00 N ATOM 1037 CA ASP A 64 80.280 81.350 29.780 1.00 0.00 C ATOM 1038 C ASP A 64 79.460 80.260 29.080 1.00 0.00 C ATOM 1039 O ASP A 64 79.160 79.210 29.640 1.00 0.00 O ATOM 1040 CB ASP A 64 81.670 81.350 29.200 1.00 0.00 C ATOM 1041 CG ASP A 64 81.800 81.870 27.790 1.00 0.00 C ATOM 1042 OD1 ASP A 64 80.690 82.560 27.450 1.00 0.00 O ATOM 1043 OD2 ASP A 64 82.720 81.790 27.150 1.00 0.00 O ATOM 0 H ASP A 64 80.424 80.123 31.461 1.00 0.00 H new ATOM 0 HA ASP A 64 79.793 82.313 29.623 1.00 0.00 H new ATOM 0 HB2 ASP A 64 82.312 81.948 29.847 1.00 0.00 H new ATOM 0 HB3 ASP A 64 82.053 80.330 29.226 1.00 0.00 H new ATOM 1048 N GLU A 65 79.010 80.480 27.850 1.00 0.00 N ATOM 1049 CA GLU A 65 78.410 79.410 27.100 1.00 0.00 C ATOM 1050 C GLU A 65 79.480 78.390 26.700 1.00 0.00 C ATOM 1051 O GLU A 65 80.690 78.680 26.770 1.00 0.00 O ATOM 1052 CB GLU A 65 77.650 79.910 25.870 1.00 0.00 C ATOM 1053 CG GLU A 65 76.400 80.700 26.220 1.00 0.00 C ATOM 1054 CD GLU A 65 75.690 81.240 25.000 1.00 0.00 C ATOM 1055 OE1 GLU A 65 76.160 81.070 23.860 1.00 0.00 O ATOM 1056 OE2 GLU A 65 74.600 81.830 25.130 1.00 0.00 O ATOM 0 H GLU A 65 79.053 81.377 27.367 1.00 0.00 H new ATOM 0 HA GLU A 65 77.675 78.929 27.745 1.00 0.00 H new ATOM 0 HB2 GLU A 65 78.312 80.536 25.271 1.00 0.00 H new ATOM 0 HB3 GLU A 65 77.372 79.057 25.251 1.00 0.00 H new ATOM 0 HG2 GLU A 65 75.717 80.062 26.780 1.00 0.00 H new ATOM 0 HG3 GLU A 65 76.670 81.529 26.874 1.00 0.00 H new ATOM 1063 N VAL A 66 79.070 77.230 26.230 1.00 0.00 N ATOM 1064 CA VAL A 66 79.870 76.480 25.270 1.00 0.00 C ATOM 1065 C VAL A 66 79.810 77.260 23.960 1.00 0.00 C ATOM 1066 O VAL A 66 78.770 77.840 23.670 1.00 0.00 O ATOM 1067 CB VAL A 66 79.400 75.030 25.070 1.00 0.00 C ATOM 1068 CG1 VAL A 66 79.450 74.240 26.380 1.00 0.00 C ATOM 1069 CG2 VAL A 66 77.980 74.970 24.520 1.00 0.00 C ATOM 0 H VAL A 66 78.192 76.783 26.493 1.00 0.00 H new ATOM 0 HA VAL A 66 80.889 76.386 25.646 1.00 0.00 H new ATOM 0 HB VAL A 66 80.084 74.583 24.349 1.00 0.00 H new ATOM 0 HG11 VAL A 66 79.111 73.219 26.203 1.00 0.00 H new ATOM 0 HG12 VAL A 66 80.473 74.223 26.756 1.00 0.00 H new ATOM 0 HG13 VAL A 66 78.801 74.715 27.116 1.00 0.00 H new ATOM 0 HG21 VAL A 66 77.683 73.929 24.392 1.00 0.00 H new ATOM 0 HG22 VAL A 66 77.299 75.459 25.217 1.00 0.00 H new ATOM 0 HG23 VAL A 66 77.941 75.479 23.557 1.00 0.00 H new ATOM 1079 N ARG A 67 80.790 77.180 23.080 1.00 0.00 N ATOM 1080 CA ARG A 67 80.530 77.130 21.630 1.00 0.00 C ATOM 1081 C ARG A 67 80.410 75.700 21.080 1.00 0.00 C ATOM 1082 O ARG A 67 81.060 75.300 20.170 1.00 0.00 O ATOM 1083 CB ARG A 67 81.570 77.920 20.840 1.00 0.00 C ATOM 1084 CG ARG A 67 81.640 79.380 21.280 1.00 0.00 C ATOM 1085 CD ARG A 67 80.300 80.070 21.100 1.00 0.00 C ATOM 1086 NE ARG A 67 80.340 81.420 21.700 1.00 0.00 N ATOM 1087 CZ ARG A 67 79.290 82.220 21.750 1.00 0.00 C ATOM 1088 NH1 ARG A 67 78.210 81.890 21.280 1.00 0.00 N ATOM 1089 NH2 ARG A 67 79.340 83.400 22.310 1.00 0.00 N ATOM 0 H ARG A 67 81.778 77.148 23.331 1.00 0.00 H new ATOM 0 HA ARG A 67 79.557 77.603 21.495 1.00 0.00 H new ATOM 0 HB2 ARG A 67 82.549 77.457 20.966 1.00 0.00 H new ATOM 0 HB3 ARG A 67 81.330 77.873 19.778 1.00 0.00 H new ATOM 0 HG2 ARG A 67 81.943 79.434 22.326 1.00 0.00 H new ATOM 0 HG3 ARG A 67 82.402 79.902 20.701 1.00 0.00 H new ATOM 0 HD2 ARG A 67 80.059 80.142 20.040 1.00 0.00 H new ATOM 0 HD3 ARG A 67 79.512 79.479 21.567 1.00 0.00 H new ATOM 0 HE ARG A 67 81.221 81.750 22.095 1.00 0.00 H new ATOM 0 HH11 ARG A 67 78.104 80.978 20.836 1.00 0.00 H new ATOM 0 HH12 ARG A 67 77.415 82.527 21.332 1.00 0.00 H new ATOM 0 HH21 ARG A 67 80.210 83.730 22.727 1.00 0.00 H new ATOM 0 HH22 ARG A 67 78.509 83.991 22.330 1.00 0.00 H new ATOM 1103 N VAL A 68 79.510 74.880 21.580 1.00 0.00 N ATOM 1104 CA VAL A 68 78.530 74.160 20.740 1.00 0.00 C ATOM 1105 C VAL A 68 77.200 74.870 20.870 1.00 0.00 C ATOM 1106 O VAL A 68 76.160 74.300 20.690 1.00 0.00 O ATOM 1107 CB VAL A 68 78.370 72.680 21.120 1.00 0.00 C ATOM 1108 CG1 VAL A 68 79.690 71.930 20.980 1.00 0.00 C ATOM 1109 CG2 VAL A 68 77.910 72.570 22.570 1.00 0.00 C ATOM 0 H VAL A 68 79.423 74.682 22.577 1.00 0.00 H new ATOM 0 HA VAL A 68 78.895 74.168 19.713 1.00 0.00 H new ATOM 0 HB VAL A 68 77.634 72.240 20.447 1.00 0.00 H new ATOM 0 HG11 VAL A 68 79.546 70.885 21.256 1.00 0.00 H new ATOM 0 HG12 VAL A 68 80.034 71.989 19.947 1.00 0.00 H new ATOM 0 HG13 VAL A 68 80.435 72.379 21.637 1.00 0.00 H new ATOM 0 HG21 VAL A 68 77.797 71.519 22.837 1.00 0.00 H new ATOM 0 HG22 VAL A 68 78.650 73.033 23.223 1.00 0.00 H new ATOM 0 HG23 VAL A 68 76.953 73.079 22.688 1.00 0.00 H new ATOM 1119 N SER A 69 77.170 76.130 21.300 1.00 0.00 N ATOM 1120 CA SER A 69 75.910 76.830 21.500 1.00 0.00 C ATOM 1121 C SER A 69 75.180 77.050 20.210 1.00 0.00 C ATOM 1122 O SER A 69 73.950 76.960 20.210 1.00 0.00 O ATOM 1123 CB SER A 69 76.190 78.170 22.150 1.00 0.00 C ATOM 1124 OG SER A 69 77.030 78.900 21.310 1.00 0.00 O ATOM 0 H SER A 69 78.001 76.682 21.515 1.00 0.00 H new ATOM 0 HA SER A 69 75.278 76.213 22.139 1.00 0.00 H new ATOM 0 HB2 SER A 69 75.259 78.711 22.319 1.00 0.00 H new ATOM 0 HB3 SER A 69 76.658 78.028 23.124 1.00 0.00 H new ATOM 0 HG SER A 69 76.532 79.648 20.919 1.00 0.00 H new ATOM 1130 N THR A 70 75.910 77.380 19.150 1.00 0.00 N ATOM 1131 CA THR A 70 75.270 77.530 17.890 1.00 0.00 C ATOM 1132 C THR A 70 74.650 76.210 17.480 1.00 0.00 C ATOM 1133 O THR A 70 73.570 76.220 17.030 1.00 0.00 O ATOM 1134 CB THR A 70 76.250 77.990 16.840 1.00 0.00 C ATOM 1135 OG1 THR A 70 76.760 79.260 17.210 1.00 0.00 O ATOM 1136 CG2 THR A 70 75.540 78.100 15.520 1.00 0.00 C ATOM 0 H THR A 70 76.917 77.541 19.155 1.00 0.00 H new ATOM 0 HA THR A 70 74.491 78.287 17.980 1.00 0.00 H new ATOM 0 HB THR A 70 77.070 77.276 16.755 1.00 0.00 H new ATOM 0 HG1 THR A 70 77.399 79.566 16.533 1.00 0.00 H new ATOM 0 HG21 THR A 70 76.242 78.432 14.756 1.00 0.00 H new ATOM 0 HG22 THR A 70 75.135 77.127 15.242 1.00 0.00 H new ATOM 0 HG23 THR A 70 74.727 78.821 15.603 1.00 0.00 H new ATOM 1144 N ASP A 71 75.350 75.090 17.660 1.00 0.00 N ATOM 1145 CA ASP A 71 74.790 73.770 17.330 1.00 0.00 C ATOM 1146 C ASP A 71 73.760 73.230 18.270 1.00 0.00 C ATOM 1147 O ASP A 71 72.780 72.670 17.750 1.00 0.00 O ATOM 1148 CB ASP A 71 75.960 72.790 17.270 1.00 0.00 C ATOM 1149 CG ASP A 71 76.660 73.110 15.970 1.00 0.00 C ATOM 1150 OD1 ASP A 71 76.260 73.880 15.190 1.00 0.00 O ATOM 1151 OD2 ASP A 71 77.880 72.560 15.860 1.00 0.00 O ATOM 0 H ASP A 71 76.300 75.065 18.030 1.00 0.00 H new ATOM 0 HA ASP A 71 74.259 73.893 16.386 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.628 72.918 18.122 1.00 0.00 H new ATOM 0 HB3 ASP A 71 75.613 71.757 17.289 1.00 0.00 H new ATOM 1156 N GLU A 72 73.990 73.360 19.550 1.00 0.00 N ATOM 1157 CA GLU A 72 73.350 72.610 20.590 1.00 0.00 C ATOM 1158 C GLU A 72 72.680 73.590 21.460 1.00 0.00 C ATOM 1159 O GLU A 72 71.480 73.420 21.630 1.00 0.00 O ATOM 1160 CB GLU A 72 74.230 71.700 21.430 1.00 0.00 C ATOM 1161 CG GLU A 72 74.880 70.610 20.590 1.00 0.00 C ATOM 1162 CD GLU A 72 75.610 69.590 21.450 1.00 0.00 C ATOM 1163 OE1 GLU A 72 75.340 69.680 22.590 1.00 0.00 O ATOM 1164 OE2 GLU A 72 76.370 68.740 20.920 1.00 0.00 O ATOM 0 H GLU A 72 74.668 74.031 19.911 1.00 0.00 H new ATOM 0 HA GLU A 72 72.675 71.912 20.095 1.00 0.00 H new ATOM 0 HB2 GLU A 72 75.004 72.292 21.919 1.00 0.00 H new ATOM 0 HB3 GLU A 72 73.632 71.243 22.219 1.00 0.00 H new ATOM 0 HG2 GLU A 72 74.117 70.105 19.997 1.00 0.00 H new ATOM 0 HG3 GLU A 72 75.581 71.062 19.889 1.00 0.00 H new ATOM 1171 N LYS A 73 73.360 74.630 21.990 1.00 0.00 N ATOM 1172 CA LYS A 73 72.670 75.460 22.990 1.00 0.00 C ATOM 1173 C LYS A 73 72.050 74.600 24.150 1.00 0.00 C ATOM 1174 O LYS A 73 70.960 74.770 24.600 1.00 0.00 O ATOM 1175 CB LYS A 73 71.570 76.260 22.270 1.00 0.00 C ATOM 1176 CG LYS A 73 70.740 77.140 23.200 1.00 0.00 C ATOM 1177 CD LYS A 73 71.600 78.190 23.860 1.00 0.00 C ATOM 1178 CE LYS A 73 72.150 79.110 22.800 1.00 0.00 C ATOM 1179 NZ LYS A 73 72.970 80.160 23.430 1.00 0.00 N ATOM 0 H LYS A 73 74.317 74.899 21.762 1.00 0.00 H new ATOM 0 HA LYS A 73 73.395 76.129 23.453 1.00 0.00 H new ATOM 0 HB2 LYS A 73 72.030 76.887 21.507 1.00 0.00 H new ATOM 0 HB3 LYS A 73 70.907 75.565 21.754 1.00 0.00 H new ATOM 0 HG2 LYS A 73 69.942 77.621 22.635 1.00 0.00 H new ATOM 0 HG3 LYS A 73 70.264 76.523 23.962 1.00 0.00 H new ATOM 0 HD2 LYS A 73 71.014 78.757 24.583 1.00 0.00 H new ATOM 0 HD3 LYS A 73 72.415 77.719 24.409 1.00 0.00 H new ATOM 0 HE2 LYS A 73 72.751 78.543 22.089 1.00 0.00 H new ATOM 0 HE3 LYS A 73 71.333 79.562 22.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 73.416 80.742 22.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 72.366 80.761 24.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 73.707 79.720 24.017 1.00 0.00 H new ATOM 1193 N ASP A 74 72.760 73.650 24.750 1.00 0.00 N ATOM 1194 CA ASP A 74 72.290 73.160 26.070 1.00 0.00 C ATOM 1195 C ASP A 74 73.130 73.750 27.200 1.00 0.00 C ATOM 1196 O ASP A 74 72.660 73.980 28.310 1.00 0.00 O ATOM 1197 CB ASP A 74 72.360 71.640 26.120 1.00 0.00 C ATOM 1198 CG ASP A 74 71.180 71.120 25.350 1.00 0.00 C ATOM 1199 OD1 ASP A 74 70.080 71.200 25.760 1.00 0.00 O ATOM 1200 OD2 ASP A 74 71.480 70.540 24.190 1.00 0.00 O ATOM 0 H ASP A 74 73.609 73.218 24.386 1.00 0.00 H new ATOM 0 HA ASP A 74 71.256 73.479 26.202 1.00 0.00 H new ATOM 0 HB2 ASP A 74 73.293 71.282 25.684 1.00 0.00 H new ATOM 0 HB3 ASP A 74 72.334 71.287 27.151 1.00 0.00 H new ATOM 1205 N PHE A 75 74.390 73.980 26.880 1.00 0.00 N ATOM 1206 CA PHE A 75 75.480 73.870 27.830 1.00 0.00 C ATOM 1207 C PHE A 75 76.070 75.250 28.080 1.00 0.00 C ATOM 1208 O PHE A 75 76.470 75.980 27.180 1.00 0.00 O ATOM 1209 CB PHE A 75 76.560 72.910 27.330 1.00 0.00 C ATOM 1210 CG PHE A 75 76.210 71.460 27.490 1.00 0.00 C ATOM 1211 CD1 PHE A 75 76.340 70.820 28.720 1.00 0.00 C ATOM 1212 CD2 PHE A 75 75.680 70.750 26.430 1.00 0.00 C ATOM 1213 CE1 PHE A 75 76.000 69.470 28.860 1.00 0.00 C ATOM 1214 CE2 PHE A 75 75.380 69.380 26.530 1.00 0.00 C ATOM 1215 CZ PHE A 75 75.530 68.740 27.760 1.00 0.00 C ATOM 0 H PHE A 75 74.688 74.251 25.943 1.00 0.00 H new ATOM 0 HA PHE A 75 75.089 73.465 28.763 1.00 0.00 H new ATOM 0 HB2 PHE A 75 76.752 73.113 26.276 1.00 0.00 H new ATOM 0 HB3 PHE A 75 77.487 73.111 27.867 1.00 0.00 H new ATOM 0 HD1 PHE A 75 76.707 71.371 29.574 1.00 0.00 H new ATOM 0 HD2 PHE A 75 75.491 71.262 25.498 1.00 0.00 H new ATOM 0 HE1 PHE A 75 76.100 68.988 29.821 1.00 0.00 H new ATOM 0 HE2 PHE A 75 75.038 68.830 25.666 1.00 0.00 H new ATOM 0 HZ PHE A 75 75.287 67.693 27.864 1.00 0.00 H new ATOM 1225 N LEU A 76 76.110 75.560 29.360 1.00 0.00 N ATOM 1226 CA LEU A 76 77.010 76.510 29.990 1.00 0.00 C ATOM 1227 C LEU A 76 78.290 75.870 30.560 1.00 0.00 C ATOM 1228 O LEU A 76 78.260 74.790 31.110 1.00 0.00 O ATOM 1229 CB LEU A 76 76.210 77.160 31.080 1.00 0.00 C ATOM 1230 CG LEU A 76 74.960 77.910 30.680 1.00 0.00 C ATOM 1231 CD1 LEU A 76 74.200 78.370 31.910 1.00 0.00 C ATOM 1232 CD2 LEU A 76 75.400 79.120 29.870 1.00 0.00 C ATOM 0 H LEU A 76 75.475 75.129 30.032 1.00 0.00 H new ATOM 0 HA LEU A 76 77.370 77.222 29.248 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.924 76.387 31.793 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.864 77.854 31.608 1.00 0.00 H new ATOM 0 HG LEU A 76 74.301 77.265 30.099 1.00 0.00 H new ATOM 0 HD11 LEU A 76 73.303 78.908 31.603 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.917 77.504 32.508 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.833 79.029 32.504 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.523 79.690 29.561 1.00 0.00 H new ATOM 0 HD22 LEU A 76 76.046 79.751 30.480 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.946 78.788 28.987 1.00 0.00 H new ATOM 1244 N TYR A 77 79.440 76.510 30.380 1.00 0.00 N ATOM 1245 CA TYR A 77 80.690 76.080 31.010 1.00 0.00 C ATOM 1246 C TYR A 77 80.960 77.090 32.120 1.00 0.00 C ATOM 1247 O TYR A 77 81.130 78.290 31.830 1.00 0.00 O ATOM 1248 CB TYR A 77 81.860 76.030 30.010 1.00 0.00 C ATOM 1249 CG TYR A 77 83.090 75.360 30.580 1.00 0.00 C ATOM 1250 CD1 TYR A 77 83.060 74.000 30.950 1.00 0.00 C ATOM 1251 CD2 TYR A 77 84.260 76.090 30.780 1.00 0.00 C ATOM 1252 CE1 TYR A 77 84.200 73.390 31.500 1.00 0.00 C ATOM 1253 CE2 TYR A 77 85.410 75.470 31.300 1.00 0.00 C ATOM 1254 CZ TYR A 77 85.360 74.140 31.720 1.00 0.00 C ATOM 1255 OH TYR A 77 86.450 73.560 32.270 1.00 0.00 O ATOM 0 H TYR A 77 79.536 77.340 29.795 1.00 0.00 H new ATOM 0 HA TYR A 77 80.599 75.065 31.396 1.00 0.00 H new ATOM 0 HB2 TYR A 77 81.543 75.496 29.114 1.00 0.00 H new ATOM 0 HB3 TYR A 77 82.114 77.045 29.704 1.00 0.00 H new ATOM 0 HD1 TYR A 77 82.157 73.425 30.810 1.00 0.00 H new ATOM 0 HD2 TYR A 77 84.284 77.141 30.533 1.00 0.00 H new ATOM 0 HE1 TYR A 77 84.181 72.340 31.753 1.00 0.00 H new ATOM 0 HE2 TYR A 77 86.334 76.024 31.375 1.00 0.00 H new ATOM 0 HH TYR A 77 87.167 74.223 32.352 1.00 0.00 H new ATOM 1265 N GLU A 78 80.920 76.650 33.370 1.00 0.00 N ATOM 1266 CA GLU A 78 80.900 77.590 34.500 1.00 0.00 C ATOM 1267 C GLU A 78 81.880 77.090 35.550 1.00 0.00 C ATOM 1268 O GLU A 78 81.840 75.930 35.950 1.00 0.00 O ATOM 1269 CB GLU A 78 79.520 77.690 35.140 1.00 0.00 C ATOM 1270 CG GLU A 78 79.500 78.680 36.310 1.00 0.00 C ATOM 1271 CD GLU A 78 78.310 78.450 37.230 1.00 0.00 C ATOM 1272 OE1 GLU A 78 77.510 77.560 36.880 1.00 0.00 O ATOM 1273 OE2 GLU A 78 78.210 79.190 38.240 1.00 0.00 O ATOM 0 H GLU A 78 80.901 75.665 33.633 1.00 0.00 H new ATOM 0 HA GLU A 78 81.171 78.578 34.126 1.00 0.00 H new ATOM 0 HB2 GLU A 78 78.794 78.001 34.389 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.212 76.706 35.493 1.00 0.00 H new ATOM 0 HG2 GLU A 78 80.424 78.585 36.881 1.00 0.00 H new ATOM 0 HG3 GLU A 78 79.468 79.698 35.923 1.00 0.00 H new ATOM 1280 N LEU A 79 82.840 77.900 35.970 1.00 0.00 N ATOM 1281 CA LEU A 79 84.030 77.360 36.640 1.00 0.00 C ATOM 1282 C LEU A 79 84.040 77.940 38.010 1.00 0.00 C ATOM 1283 O LEU A 79 83.850 79.150 38.130 1.00 0.00 O ATOM 1284 CB LEU A 79 85.330 77.710 35.920 1.00 0.00 C ATOM 1285 CG LEU A 79 85.440 77.060 34.540 1.00 0.00 C ATOM 1286 CD1 LEU A 79 84.340 77.540 33.630 1.00 0.00 C ATOM 1287 CD2 LEU A 79 86.780 77.400 33.930 1.00 0.00 C ATOM 0 H LEU A 79 82.828 78.915 35.866 1.00 0.00 H new ATOM 0 HA LEU A 79 83.977 76.271 36.648 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.400 78.792 35.813 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.175 77.395 36.533 1.00 0.00 H new ATOM 0 HG LEU A 79 85.346 75.980 34.658 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.440 77.063 32.655 1.00 0.00 H new ATOM 0 HD12 LEU A 79 83.373 77.283 34.062 1.00 0.00 H new ATOM 0 HD13 LEU A 79 84.410 78.622 33.514 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.860 76.937 32.946 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.871 78.482 33.831 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.577 77.027 34.572 1.00 0.00 H new ATOM 1299 N HIS A 80 84.340 77.160 39.030 1.00 0.00 N ATOM 1300 CA HIS A 80 84.070 77.560 40.390 1.00 0.00 C ATOM 1301 C HIS A 80 85.320 77.650 41.190 1.00 0.00 C ATOM 1302 O HIS A 80 86.010 76.620 41.360 1.00 0.00 O ATOM 1303 CB HIS A 80 83.040 76.640 41.030 1.00 0.00 C ATOM 1304 CG HIS A 80 81.760 76.550 40.270 1.00 0.00 C ATOM 1305 ND1 HIS A 80 80.670 77.310 40.430 1.00 0.00 N flip ATOM 1306 CD2 HIS A 80 81.510 75.690 39.220 1.00 0.00 C flip ATOM 1307 CE1 HIS A 80 79.700 76.910 39.540 1.00 0.00 C flip ATOM 1308 NE2 HIS A 80 80.250 75.930 38.830 1.00 0.00 N flip ATOM 0 H HIS A 80 84.773 76.241 38.938 1.00 0.00 H new ATOM 0 HA HIS A 80 83.641 78.562 40.370 1.00 0.00 H new ATOM 0 HB2 HIS A 80 83.467 75.642 41.124 1.00 0.00 H new ATOM 0 HB3 HIS A 80 82.829 76.993 42.039 1.00 0.00 H new ATOM 0 HD2 HIS A 80 82.193 74.968 38.797 1.00 0.00 H new ATOM 0 HE1 HIS A 80 78.701 77.309 39.439 1.00 0.00 H new ATOM 0 HE2 HIS A 80 79.774 75.425 38.083 1.00 0.00 H new ATOM 1316 N ILE A 81 85.650 78.840 41.650 1.00 0.00 N ATOM 1317 CA ILE A 81 87.030 79.130 42.100 1.00 0.00 C ATOM 1318 C ILE A 81 88.180 78.660 41.180 1.00 0.00 C ATOM 1319 O ILE A 81 89.020 77.900 41.590 1.00 0.00 O ATOM 1320 CB ILE A 81 87.160 78.570 43.520 1.00 0.00 C ATOM 1321 CG1 ILE A 81 86.300 79.430 44.430 1.00 0.00 C ATOM 1322 CG2 ILE A 81 88.610 78.560 44.030 1.00 0.00 C ATOM 1323 CD1 ILE A 81 86.760 80.840 44.580 1.00 0.00 C ATOM 0 H ILE A 81 85.003 79.625 41.728 1.00 0.00 H new ATOM 0 HA ILE A 81 87.159 80.212 42.065 1.00 0.00 H new ATOM 0 HB ILE A 81 86.832 77.531 43.516 1.00 0.00 H new ATOM 0 HG12 ILE A 81 85.281 79.435 44.044 1.00 0.00 H new ATOM 0 HG13 ILE A 81 86.265 78.968 45.416 1.00 0.00 H new ATOM 0 HG21 ILE A 81 88.637 78.153 45.041 1.00 0.00 H new ATOM 0 HG22 ILE A 81 89.223 77.942 43.373 1.00 0.00 H new ATOM 0 HG23 ILE A 81 89.000 79.578 44.038 1.00 0.00 H new ATOM 0 HD11 ILE A 81 86.084 81.374 45.247 1.00 0.00 H new ATOM 0 HD12 ILE A 81 87.767 80.852 44.998 1.00 0.00 H new ATOM 0 HD13 ILE A 81 86.767 81.326 43.605 1.00 0.00 H new ATOM 1335 N ILE A 82 88.240 79.020 39.910 1.00 0.00 N ATOM 1336 CA ILE A 82 89.270 78.580 38.880 1.00 0.00 C ATOM 1337 C ILE A 82 90.710 78.200 39.420 1.00 0.00 C ATOM 1338 O ILE A 82 91.550 77.810 38.510 1.00 0.00 O ATOM 1339 CB ILE A 82 89.250 79.660 37.790 1.00 0.00 C ATOM 1340 CG1 ILE A 82 87.990 79.530 36.940 1.00 0.00 C ATOM 1341 CG2 ILE A 82 90.450 79.570 36.850 1.00 0.00 C ATOM 1342 CD1 ILE A 82 87.780 80.730 36.020 1.00 0.00 C ATOM 1343 OXT ILE A 82 91.210 78.380 40.480 1.00 0.00 O ATOM 0 H ILE A 82 87.553 79.660 39.510 1.00 0.00 H new ATOM 0 HA ILE A 82 88.987 77.606 38.482 1.00 0.00 H new ATOM 0 HB ILE A 82 89.281 80.617 38.312 1.00 0.00 H new ATOM 0 HG12 ILE A 82 88.052 78.622 36.340 1.00 0.00 H new ATOM 0 HG13 ILE A 82 87.124 79.421 37.593 1.00 0.00 H new ATOM 0 HG21 ILE A 82 90.384 80.358 36.099 1.00 0.00 H new ATOM 0 HG22 ILE A 82 91.370 79.690 37.422 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.454 78.598 36.357 1.00 0.00 H new ATOM 0 HD11 ILE A 82 86.870 80.587 35.437 1.00 0.00 H new ATOM 0 HD12 ILE A 82 87.689 81.636 36.619 1.00 0.00 H new ATOM 0 HD13 ILE A 82 88.631 80.825 35.346 1.00 0.00 H new