USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 THR OG1 : rot 165:sc= -1.21 USER MOD Set 1.2: A 80 HIS : no HE2:sc= -4.11 K(o=-5.3,f=-2.5) USER MOD Set 2.1: A 69 SER OG : rot -101:sc= 0.0808 USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 73 LYS NZ :NH3+ -162:sc= 0.131 (180deg=-0.0621) USER MOD Set 3.1: A 44 HIS : no HD1:sc= -2.01 K(o=-2.1,f=-0.34) USER MOD Set 3.2: A 47 MET CE :methyl -117:sc= -0.104 (180deg=-0.661) 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= -0.744 X(o=-0.74,f=-1) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 18 SER OG : rot 25:sc= 0.0411 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 1.05 K(o=1.1,f=-4.1!) USER MOD Single : A 29 SER OG : rot -31:sc= 0.146 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 156:sc= 0.114 USER MOD Single : A 41 THR OG1 : rot -94:sc= 0.527 USER MOD Single : A 42 ASN : amide:sc= -0.264 K(o=-0.26,f=-1.3) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= -0.364 (180deg=-0.406) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -133:sc= -1.59 (180deg=-2.63) USER MOD Single : A 59 HIS : no HD1:sc= 0.33 K(o=0.44,f=-5.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 79.790 66.430 37.500 1.00 0.00 N ATOM 49 CA LYS A 4 80.050 67.680 36.820 1.00 0.00 C ATOM 50 C LYS A 4 78.930 68.120 35.930 1.00 0.00 C ATOM 51 O LYS A 4 79.210 68.760 34.930 1.00 0.00 O ATOM 52 CB LYS A 4 81.390 67.730 36.130 1.00 0.00 C ATOM 53 CG LYS A 4 82.510 67.470 37.100 1.00 0.00 C ATOM 54 CD LYS A 4 83.830 67.440 36.370 1.00 0.00 C ATOM 55 CE LYS A 4 84.980 67.140 37.320 1.00 0.00 C ATOM 56 NZ LYS A 4 86.240 67.080 36.580 1.00 0.00 N ATOM 0 HA LYS A 4 80.104 68.418 37.620 1.00 0.00 H new ATOM 0 HB2 LYS A 4 81.418 66.990 35.330 1.00 0.00 H new ATOM 0 HB3 LYS A 4 81.527 68.706 35.665 1.00 0.00 H new ATOM 0 HG2 LYS A 4 82.526 68.246 37.866 1.00 0.00 H new ATOM 0 HG3 LYS A 4 82.346 66.521 37.611 1.00 0.00 H new ATOM 0 HD2 LYS A 4 83.797 66.684 35.585 1.00 0.00 H new ATOM 0 HD3 LYS A 4 84.000 68.399 35.881 1.00 0.00 H new ATOM 0 HE2 LYS A 4 85.037 67.910 38.089 1.00 0.00 H new ATOM 0 HE3 LYS A 4 84.803 66.193 37.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 87.019 66.875 37.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 86.186 66.329 35.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 86.412 67.993 36.113 1.00 0.00 H new ATOM 70 N LEU A 5 77.680 67.710 36.200 1.00 0.00 N ATOM 71 CA LEU A 5 76.660 68.170 35.350 1.00 0.00 C ATOM 72 C LEU A 5 75.370 68.390 36.070 1.00 0.00 C ATOM 73 O LEU A 5 75.040 67.650 36.980 1.00 0.00 O ATOM 74 CB LEU A 5 76.560 67.240 34.130 1.00 0.00 C ATOM 75 CG LEU A 5 76.170 65.810 34.520 1.00 0.00 C ATOM 76 CD1 LEU A 5 74.750 65.730 35.040 1.00 0.00 C ATOM 77 CD2 LEU A 5 76.120 64.890 33.350 1.00 0.00 C ATOM 0 H LEU A 5 77.397 67.096 36.963 1.00 0.00 H new ATOM 0 HA LEU A 5 76.916 69.162 34.979 1.00 0.00 H new ATOM 0 HB2 LEU A 5 75.823 67.638 33.432 1.00 0.00 H new ATOM 0 HB3 LEU A 5 77.517 67.224 33.609 1.00 0.00 H new ATOM 0 HG LEU A 5 76.926 65.533 35.255 1.00 0.00 H new ATOM 0 HD11 LEU A 5 74.517 64.699 35.304 1.00 0.00 H new ATOM 0 HD12 LEU A 5 74.649 66.362 35.922 1.00 0.00 H new ATOM 0 HD13 LEU A 5 74.060 66.072 34.268 1.00 0.00 H new ATOM 0 HD21 LEU A 5 75.839 63.891 33.684 1.00 0.00 H new ATOM 0 HD22 LEU A 5 75.384 65.253 32.633 1.00 0.00 H new ATOM 0 HD23 LEU A 5 77.101 64.851 32.875 1.00 0.00 H new ATOM 89 N VAL A 6 74.590 69.280 35.490 1.00 0.00 N ATOM 90 CA VAL A 6 73.290 69.690 36.020 1.00 0.00 C ATOM 91 C VAL A 6 72.250 69.490 34.950 1.00 0.00 C ATOM 92 O VAL A 6 72.170 70.270 34.010 1.00 0.00 O ATOM 93 CB VAL A 6 73.310 71.160 36.450 1.00 0.00 C ATOM 94 CG1 VAL A 6 71.930 71.690 36.790 1.00 0.00 C ATOM 95 CG2 VAL A 6 74.140 71.400 37.660 1.00 0.00 C ATOM 0 H VAL A 6 74.840 69.752 34.621 1.00 0.00 H new ATOM 0 HA VAL A 6 73.056 69.086 36.896 1.00 0.00 H new ATOM 0 HB VAL A 6 73.727 71.674 35.584 1.00 0.00 H new ATOM 0 HG11 VAL A 6 72.005 72.736 37.088 1.00 0.00 H new ATOM 0 HG12 VAL A 6 71.283 71.607 35.917 1.00 0.00 H new ATOM 0 HG13 VAL A 6 71.509 71.109 37.610 1.00 0.00 H new ATOM 0 HG21 VAL A 6 74.114 72.460 37.915 1.00 0.00 H new ATOM 0 HG22 VAL A 6 73.746 70.817 38.493 1.00 0.00 H new ATOM 0 HG23 VAL A 6 75.169 71.100 37.461 1.00 0.00 H new ATOM 105 N LEU A 7 71.420 68.440 35.080 1.00 0.00 N ATOM 106 CA LEU A 7 70.220 68.430 34.260 1.00 0.00 C ATOM 107 C LEU A 7 69.200 69.450 34.710 1.00 0.00 C ATOM 108 O LEU A 7 68.880 69.640 35.890 1.00 0.00 O ATOM 109 CB LEU A 7 69.580 67.040 34.180 1.00 0.00 C ATOM 110 CG LEU A 7 70.490 66.000 33.580 1.00 0.00 C ATOM 111 CD1 LEU A 7 69.870 64.620 33.630 1.00 0.00 C ATOM 112 CD2 LEU A 7 70.700 66.400 32.140 1.00 0.00 C ATOM 0 H LEU A 7 71.551 67.643 35.703 1.00 0.00 H new ATOM 0 HA LEU A 7 70.550 68.708 33.259 1.00 0.00 H new ATOM 0 HB2 LEU A 7 69.288 66.724 35.181 1.00 0.00 H new ATOM 0 HB3 LEU A 7 68.668 67.101 33.586 1.00 0.00 H new ATOM 0 HG LEU A 7 71.425 65.953 34.139 1.00 0.00 H new ATOM 0 HD11 LEU A 7 70.556 63.897 33.188 1.00 0.00 H new ATOM 0 HD12 LEU A 7 69.673 64.347 34.667 1.00 0.00 H new ATOM 0 HD13 LEU A 7 68.934 64.621 33.071 1.00 0.00 H new ATOM 0 HD21 LEU A 7 71.355 65.678 31.654 1.00 0.00 H new ATOM 0 HD22 LEU A 7 69.740 66.423 31.625 1.00 0.00 H new ATOM 0 HD23 LEU A 7 71.157 67.389 32.100 1.00 0.00 H new ATOM 124 N ALA A 8 68.570 70.020 33.710 1.00 0.00 N ATOM 125 CA ALA A 8 67.230 70.590 33.770 1.00 0.00 C ATOM 126 C ALA A 8 66.170 69.590 34.130 1.00 0.00 C ATOM 127 O ALA A 8 66.090 68.540 33.520 1.00 0.00 O ATOM 128 CB ALA A 8 66.900 71.130 32.400 1.00 0.00 C ATOM 0 H ALA A 8 68.992 70.107 32.785 1.00 0.00 H new ATOM 0 HA ALA A 8 67.236 71.355 34.546 1.00 0.00 H new ATOM 0 HB1 ALA A 8 65.901 71.565 32.411 1.00 0.00 H new ATOM 0 HB2 ALA A 8 67.626 71.896 32.126 1.00 0.00 H new ATOM 0 HB3 ALA A 8 66.935 70.320 31.671 1.00 0.00 H new ATOM 134 N LYS A 9 65.200 70.060 34.970 1.00 0.00 N ATOM 135 CA LYS A 9 63.900 69.440 35.100 1.00 0.00 C ATOM 136 C LYS A 9 63.110 69.310 33.830 1.00 0.00 C ATOM 137 O LYS A 9 62.520 68.280 33.630 1.00 0.00 O ATOM 138 CB LYS A 9 63.120 70.100 36.200 1.00 0.00 C ATOM 139 CG LYS A 9 61.800 69.350 36.460 1.00 0.00 C ATOM 140 CD LYS A 9 61.040 70.040 37.590 1.00 0.00 C ATOM 141 CE LYS A 9 59.710 69.360 37.850 1.00 0.00 C ATOM 142 NZ LYS A 9 58.930 70.070 38.890 1.00 0.00 N ATOM 0 H LYS A 9 65.325 70.880 35.564 1.00 0.00 H new ATOM 0 HA LYS A 9 64.095 68.402 35.370 1.00 0.00 H new ATOM 0 HB2 LYS A 9 63.717 70.123 37.112 1.00 0.00 H new ATOM 0 HB3 LYS A 9 62.909 71.135 35.932 1.00 0.00 H new ATOM 0 HG2 LYS A 9 61.193 69.335 35.555 1.00 0.00 H new ATOM 0 HG3 LYS A 9 62.004 68.312 36.724 1.00 0.00 H new ATOM 0 HD2 LYS A 9 61.642 70.027 38.498 1.00 0.00 H new ATOM 0 HD3 LYS A 9 60.873 71.086 37.334 1.00 0.00 H new ATOM 0 HE2 LYS A 9 59.134 69.320 36.926 1.00 0.00 H new ATOM 0 HE3 LYS A 9 59.882 68.330 38.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 58.026 69.578 39.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 59.470 70.086 39.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 58.745 71.045 38.580 1.00 0.00 H new ATOM 156 N ASN A 10 62.990 70.370 33.050 1.00 0.00 N ATOM 157 CA ASN A 10 61.840 70.580 32.150 1.00 0.00 C ATOM 158 C ASN A 10 61.740 69.530 31.070 1.00 0.00 C ATOM 159 O ASN A 10 60.660 69.000 30.880 1.00 0.00 O ATOM 160 CB ASN A 10 61.910 71.980 31.550 1.00 0.00 C ATOM 161 CG ASN A 10 61.620 73.080 32.540 1.00 0.00 C ATOM 162 OD1 ASN A 10 61.070 72.860 33.610 1.00 0.00 O ATOM 163 ND2 ASN A 10 61.840 74.320 32.150 1.00 0.00 N ATOM 0 H ASN A 10 63.682 71.118 33.014 1.00 0.00 H new ATOM 0 HA ASN A 10 60.933 70.484 32.746 1.00 0.00 H new ATOM 0 HB2 ASN A 10 62.903 72.136 31.128 1.00 0.00 H new ATOM 0 HB3 ASN A 10 61.200 72.048 30.726 1.00 0.00 H new ATOM 0 HD21 ASN A 10 61.551 75.099 32.741 1.00 0.00 H new ATOM 0 HD22 ASN A 10 62.299 74.500 31.257 1.00 0.00 H new ATOM 170 N THR A 11 62.830 69.120 30.430 1.00 0.00 N ATOM 171 CA THR A 11 62.750 67.980 29.530 1.00 0.00 C ATOM 172 C THR A 11 62.850 66.640 30.230 1.00 0.00 C ATOM 173 O THR A 11 62.180 65.720 29.810 1.00 0.00 O ATOM 174 CB THR A 11 63.860 68.060 28.490 1.00 0.00 C ATOM 175 OG1 THR A 11 65.060 68.230 29.200 1.00 0.00 O ATOM 176 CG2 THR A 11 63.550 69.270 27.610 1.00 0.00 C ATOM 0 H THR A 11 63.753 69.546 30.514 1.00 0.00 H new ATOM 0 HA THR A 11 61.764 68.036 29.068 1.00 0.00 H new ATOM 0 HB THR A 11 63.940 67.174 27.860 1.00 0.00 H new ATOM 0 HG1 THR A 11 65.808 68.285 28.569 1.00 0.00 H new ATOM 0 HG21 THR A 11 64.320 69.371 26.845 1.00 0.00 H new ATOM 0 HG22 THR A 11 62.580 69.133 27.132 1.00 0.00 H new ATOM 0 HG23 THR A 11 63.528 70.170 28.224 1.00 0.00 H new ATOM 285 N SER A 18 67.050 72.450 40.760 1.00 0.00 N ATOM 286 CA SER A 18 67.620 73.330 41.830 1.00 0.00 C ATOM 287 C SER A 18 69.040 72.900 42.260 1.00 0.00 C ATOM 288 O SER A 18 69.620 73.480 43.180 1.00 0.00 O ATOM 289 CB SER A 18 66.690 73.380 43.050 1.00 0.00 C ATOM 290 OG SER A 18 65.430 73.910 42.690 1.00 0.00 O ATOM 0 HA SER A 18 67.700 74.328 41.400 1.00 0.00 H new ATOM 0 HB2 SER A 18 66.566 72.378 43.461 1.00 0.00 H new ATOM 0 HB3 SER A 18 67.139 73.992 43.832 1.00 0.00 H new ATOM 0 HG SER A 18 65.272 73.758 41.735 1.00 0.00 H new ATOM 296 N VAL A 19 69.530 71.880 41.570 1.00 0.00 N ATOM 297 CA VAL A 19 70.750 71.120 41.800 1.00 0.00 C ATOM 298 C VAL A 19 71.930 72.020 41.620 1.00 0.00 C ATOM 299 O VAL A 19 72.860 71.930 42.390 1.00 0.00 O ATOM 300 CB VAL A 19 70.850 69.940 40.820 1.00 0.00 C ATOM 301 CG1 VAL A 19 71.060 70.420 39.410 1.00 0.00 C ATOM 302 CG2 VAL A 19 71.980 69.010 41.120 1.00 0.00 C ATOM 0 H VAL A 19 69.032 71.529 40.752 1.00 0.00 H new ATOM 0 HA VAL A 19 70.732 70.725 42.816 1.00 0.00 H new ATOM 0 HB VAL A 19 69.904 69.411 40.933 1.00 0.00 H new ATOM 0 HG11 VAL A 19 71.127 69.563 38.740 1.00 0.00 H new ATOM 0 HG12 VAL A 19 70.222 71.050 39.111 1.00 0.00 H new ATOM 0 HG13 VAL A 19 71.984 70.996 39.356 1.00 0.00 H new ATOM 0 HG21 VAL A 19 71.990 68.202 40.389 1.00 0.00 H new ATOM 0 HG22 VAL A 19 72.923 69.555 41.071 1.00 0.00 H new ATOM 0 HG23 VAL A 19 71.853 68.594 42.119 1.00 0.00 H new ATOM 312 N GLU A 20 71.850 72.970 40.660 1.00 0.00 N ATOM 313 CA GLU A 20 72.940 73.860 40.420 1.00 0.00 C ATOM 314 C GLU A 20 73.160 74.710 41.650 1.00 0.00 C ATOM 315 O GLU A 20 74.270 74.810 42.120 1.00 0.00 O ATOM 316 CB GLU A 20 72.620 74.770 39.230 1.00 0.00 C ATOM 317 CG GLU A 20 73.780 75.710 38.910 1.00 0.00 C ATOM 318 CD GLU A 20 73.540 76.530 37.620 1.00 0.00 C ATOM 319 OE1 GLU A 20 72.570 76.220 36.900 1.00 0.00 O ATOM 320 OE2 GLU A 20 74.310 77.480 37.380 1.00 0.00 O ATOM 0 H GLU A 20 71.038 73.116 40.060 1.00 0.00 H new ATOM 0 HA GLU A 20 73.837 73.282 40.197 1.00 0.00 H new ATOM 0 HB2 GLU A 20 72.394 74.160 38.356 1.00 0.00 H new ATOM 0 HB3 GLU A 20 71.727 75.355 39.449 1.00 0.00 H new ATOM 0 HG2 GLU A 20 73.932 76.392 39.747 1.00 0.00 H new ATOM 0 HG3 GLU A 20 74.695 75.128 38.802 1.00 0.00 H new ATOM 327 N LEU A 21 72.090 75.270 42.230 1.00 0.00 N ATOM 328 CA LEU A 21 72.320 76.160 43.350 1.00 0.00 C ATOM 329 C LEU A 21 72.970 75.390 44.470 1.00 0.00 C ATOM 330 O LEU A 21 73.940 75.880 45.010 1.00 0.00 O ATOM 331 CB LEU A 21 71.020 76.810 43.810 1.00 0.00 C ATOM 332 CG LEU A 21 70.430 77.760 42.760 1.00 0.00 C ATOM 333 CD1 LEU A 21 69.110 78.320 43.260 1.00 0.00 C ATOM 334 CD2 LEU A 21 71.380 78.910 42.510 1.00 0.00 C ATOM 0 H LEU A 21 71.117 75.129 41.957 1.00 0.00 H new ATOM 0 HA LEU A 21 72.987 76.964 43.037 1.00 0.00 H new ATOM 0 HB2 LEU A 21 70.292 76.033 44.041 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.201 77.362 44.733 1.00 0.00 H new ATOM 0 HG LEU A 21 70.274 77.204 41.835 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.694 78.994 42.511 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.412 77.502 43.439 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.275 78.866 44.189 1.00 0.00 H new ATOM 0 HD21 LEU A 21 70.953 79.579 41.763 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.541 79.458 43.439 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.332 78.523 42.148 1.00 0.00 H new ATOM 346 N GLU A 22 72.490 74.220 44.830 1.00 0.00 N ATOM 347 CA GLU A 22 73.140 73.400 45.840 1.00 0.00 C ATOM 348 C GLU A 22 74.550 72.920 45.500 1.00 0.00 C ATOM 349 O GLU A 22 75.410 72.970 46.370 1.00 0.00 O ATOM 350 CB GLU A 22 72.240 72.220 46.110 1.00 0.00 C ATOM 351 CG GLU A 22 72.780 71.380 47.230 1.00 0.00 C ATOM 352 CD GLU A 22 71.840 70.230 47.480 1.00 0.00 C ATOM 353 OE1 GLU A 22 70.700 70.240 46.910 1.00 0.00 O ATOM 354 OE2 GLU A 22 72.290 69.400 48.240 1.00 0.00 O ATOM 0 H GLU A 22 71.644 73.808 44.436 1.00 0.00 H new ATOM 0 HA GLU A 22 73.283 74.032 46.716 1.00 0.00 H new ATOM 0 HB2 GLU A 22 71.240 72.571 46.363 1.00 0.00 H new ATOM 0 HB3 GLU A 22 72.147 71.615 45.208 1.00 0.00 H new ATOM 0 HG2 GLU A 22 73.772 71.007 46.976 1.00 0.00 H new ATOM 0 HG3 GLU A 22 72.888 71.981 48.133 1.00 0.00 H new ATOM 361 N ASP A 23 74.790 72.520 44.250 1.00 0.00 N ATOM 362 CA ASP A 23 76.110 72.070 43.810 1.00 0.00 C ATOM 363 C ASP A 23 77.070 73.200 43.800 1.00 0.00 C ATOM 364 O ASP A 23 78.190 73.010 44.210 1.00 0.00 O ATOM 365 CB ASP A 23 76.070 71.470 42.430 1.00 0.00 C ATOM 366 CG ASP A 23 75.370 70.130 42.520 1.00 0.00 C ATOM 367 OD1 ASP A 23 75.200 69.540 43.650 1.00 0.00 O ATOM 368 OD2 ASP A 23 75.010 69.640 41.510 1.00 0.00 O ATOM 0 H ASP A 23 74.079 72.499 43.519 1.00 0.00 H new ATOM 0 HA ASP A 23 76.431 71.306 44.518 1.00 0.00 H new ATOM 0 HB2 ASP A 23 75.541 72.130 41.743 1.00 0.00 H new ATOM 0 HB3 ASP A 23 77.080 71.346 42.039 1.00 0.00 H new ATOM 373 N LEU A 24 76.650 74.420 43.510 1.00 0.00 N ATOM 374 CA LEU A 24 77.550 75.550 43.620 1.00 0.00 C ATOM 375 C LEU A 24 78.080 75.630 45.060 1.00 0.00 C ATOM 376 O LEU A 24 79.280 75.650 45.280 1.00 0.00 O ATOM 377 CB LEU A 24 76.830 76.850 43.230 1.00 0.00 C ATOM 378 CG LEU A 24 76.500 76.980 41.750 1.00 0.00 C ATOM 379 CD1 LEU A 24 75.680 78.250 41.510 1.00 0.00 C ATOM 380 CD2 LEU A 24 77.750 77.040 40.920 1.00 0.00 C ATOM 0 H LEU A 24 75.705 74.649 43.201 1.00 0.00 H new ATOM 0 HA LEU A 24 78.388 75.417 42.936 1.00 0.00 H new ATOM 0 HB2 LEU A 24 75.905 76.921 43.801 1.00 0.00 H new ATOM 0 HB3 LEU A 24 77.452 77.695 43.524 1.00 0.00 H new ATOM 0 HG LEU A 24 75.925 76.102 41.456 1.00 0.00 H new ATOM 0 HD11 LEU A 24 75.447 78.337 40.449 1.00 0.00 H new ATOM 0 HD12 LEU A 24 74.754 78.198 42.082 1.00 0.00 H new ATOM 0 HD13 LEU A 24 76.255 79.120 41.828 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.484 77.133 39.867 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.346 77.902 41.221 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.330 76.129 41.069 1.00 0.00 H new ATOM 392 N TYR A 25 77.180 75.620 46.040 1.00 0.00 N ATOM 393 CA TYR A 25 77.600 75.660 47.440 1.00 0.00 C ATOM 394 C TYR A 25 78.480 74.420 47.770 1.00 0.00 C ATOM 395 O TYR A 25 79.470 74.500 48.490 1.00 0.00 O ATOM 396 CB TYR A 25 76.390 75.820 48.340 1.00 0.00 C ATOM 397 CG TYR A 25 75.830 77.210 48.350 1.00 0.00 C ATOM 398 CD1 TYR A 25 74.870 77.560 47.430 1.00 0.00 C ATOM 399 CD2 TYR A 25 76.060 78.050 49.440 1.00 0.00 C ATOM 400 CE1 TYR A 25 74.200 78.770 47.510 1.00 0.00 C ATOM 401 CE2 TYR A 25 75.390 79.290 49.560 1.00 0.00 C ATOM 402 CZ TYR A 25 74.480 79.660 48.550 1.00 0.00 C ATOM 403 OH TYR A 25 73.790 80.820 48.590 1.00 0.00 O ATOM 0 H TYR A 25 76.171 75.585 45.896 1.00 0.00 H new ATOM 0 HA TYR A 25 78.229 76.531 47.624 1.00 0.00 H new ATOM 0 HB2 TYR A 25 75.613 75.127 48.017 1.00 0.00 H new ATOM 0 HB3 TYR A 25 76.665 75.540 49.357 1.00 0.00 H new ATOM 0 HD1 TYR A 25 74.633 76.877 46.628 1.00 0.00 H new ATOM 0 HD2 TYR A 25 76.761 77.749 50.204 1.00 0.00 H new ATOM 0 HE1 TYR A 25 73.459 79.026 46.767 1.00 0.00 H new ATOM 0 HE2 TYR A 25 75.572 79.937 50.405 1.00 0.00 H new ATOM 0 HH TYR A 25 74.081 81.347 49.363 1.00 0.00 H new ATOM 413 N HIS A 26 78.070 73.230 47.330 1.00 0.00 N ATOM 414 CA HIS A 26 78.770 72.030 47.830 1.00 0.00 C ATOM 415 C HIS A 26 80.000 71.700 47.040 1.00 0.00 C ATOM 416 O HIS A 26 81.000 71.300 47.640 1.00 0.00 O ATOM 417 CB HIS A 26 77.840 70.830 47.840 1.00 0.00 C ATOM 418 CG HIS A 26 76.780 70.910 48.880 1.00 0.00 C ATOM 419 ND1 HIS A 26 75.620 71.610 48.780 1.00 0.00 N ATOM 420 CD2 HIS A 26 76.760 70.320 50.100 1.00 0.00 C ATOM 421 CE1 HIS A 26 74.970 71.510 49.950 1.00 0.00 C ATOM 422 NE2 HIS A 26 75.630 70.730 50.810 1.00 0.00 N ATOM 0 H HIS A 26 77.308 73.066 46.672 1.00 0.00 H new ATOM 0 HA HIS A 26 79.085 72.264 48.847 1.00 0.00 H new ATOM 0 HB2 HIS A 26 77.371 70.736 46.861 1.00 0.00 H new ATOM 0 HB3 HIS A 26 78.428 69.926 48.000 1.00 0.00 H new ATOM 0 HD1 HIS A 26 75.299 72.122 47.959 1.00 0.00 H new ATOM 0 HD2 HIS A 26 77.508 69.634 50.469 1.00 0.00 H new ATOM 0 HE1 HIS A 26 74.032 71.999 50.168 1.00 0.00 H new ATOM 430 N GLU A 27 80.020 71.890 45.740 1.00 0.00 N ATOM 431 CA GLU A 27 81.210 71.690 44.960 1.00 0.00 C ATOM 432 C GLU A 27 82.250 72.640 45.490 1.00 0.00 C ATOM 433 O GLU A 27 83.350 72.200 45.780 1.00 0.00 O ATOM 434 CB GLU A 27 81.010 71.960 43.470 1.00 0.00 C ATOM 435 CG GLU A 27 80.020 70.970 42.900 1.00 0.00 C ATOM 436 CD GLU A 27 79.950 71.180 41.440 1.00 0.00 C ATOM 437 OE1 GLU A 27 79.300 72.140 40.950 1.00 0.00 O ATOM 438 OE2 GLU A 27 80.470 70.250 40.850 1.00 0.00 O ATOM 0 H GLU A 27 79.209 72.188 45.198 1.00 0.00 H new ATOM 0 HA GLU A 27 81.506 70.645 45.049 1.00 0.00 H new ATOM 0 HB2 GLU A 27 80.648 72.977 43.320 1.00 0.00 H new ATOM 0 HB3 GLU A 27 81.962 71.880 42.945 1.00 0.00 H new ATOM 0 HG2 GLU A 27 80.331 69.949 43.123 1.00 0.00 H new ATOM 0 HG3 GLU A 27 79.038 71.110 43.352 1.00 0.00 H new ATOM 445 N PHE A 28 81.870 73.880 45.770 1.00 0.00 N ATOM 446 CA PHE A 28 82.820 74.890 46.170 1.00 0.00 C ATOM 447 C PHE A 28 83.520 74.490 47.460 1.00 0.00 C ATOM 448 O PHE A 28 84.730 74.670 47.590 1.00 0.00 O ATOM 449 CB PHE A 28 82.080 76.210 46.320 1.00 0.00 C ATOM 450 CG PHE A 28 82.950 77.330 46.850 1.00 0.00 C ATOM 451 CD1 PHE A 28 83.480 77.280 48.160 1.00 0.00 C ATOM 452 CD2 PHE A 28 83.260 78.420 46.030 1.00 0.00 C ATOM 453 CE1 PHE A 28 84.340 78.260 48.620 1.00 0.00 C ATOM 454 CE2 PHE A 28 84.110 79.430 46.510 1.00 0.00 C ATOM 455 CZ PHE A 28 84.660 79.350 47.800 1.00 0.00 C ATOM 0 H PHE A 28 80.904 74.204 45.725 1.00 0.00 H new ATOM 0 HA PHE A 28 83.596 74.997 45.412 1.00 0.00 H new ATOM 0 HB2 PHE A 28 81.674 76.502 45.352 1.00 0.00 H new ATOM 0 HB3 PHE A 28 81.233 76.069 46.991 1.00 0.00 H new ATOM 0 HD1 PHE A 28 83.209 76.463 48.812 1.00 0.00 H new ATOM 0 HD2 PHE A 28 82.848 78.485 45.034 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.765 78.185 49.610 1.00 0.00 H new ATOM 0 HE2 PHE A 28 84.343 80.276 45.881 1.00 0.00 H new ATOM 0 HZ PHE A 28 85.325 80.123 48.157 1.00 0.00 H new ATOM 465 N SER A 29 82.730 74.080 48.460 1.00 0.00 N ATOM 466 CA SER A 29 83.260 73.700 49.770 1.00 0.00 C ATOM 467 C SER A 29 84.110 72.450 49.660 1.00 0.00 C ATOM 468 O SER A 29 85.110 72.320 50.330 1.00 0.00 O ATOM 469 CB SER A 29 82.130 73.440 50.760 1.00 0.00 C ATOM 470 OG SER A 29 81.320 72.370 50.350 1.00 0.00 O ATOM 0 H SER A 29 81.716 74.004 48.383 1.00 0.00 H new ATOM 0 HA SER A 29 83.871 74.528 50.129 1.00 0.00 H new ATOM 0 HB2 SER A 29 82.549 73.224 51.743 1.00 0.00 H new ATOM 0 HB3 SER A 29 81.522 74.339 50.863 1.00 0.00 H new ATOM 0 HG SER A 29 81.302 72.330 49.371 1.00 0.00 H new ATOM 476 N GLU A 30 83.630 71.480 48.850 1.00 0.00 N ATOM 477 CA GLU A 30 84.180 70.150 48.850 1.00 0.00 C ATOM 478 C GLU A 30 85.440 70.150 47.980 1.00 0.00 C ATOM 479 O GLU A 30 86.530 69.810 48.400 1.00 0.00 O ATOM 480 CB GLU A 30 83.050 69.190 48.400 1.00 0.00 C ATOM 481 CG GLU A 30 81.930 69.060 49.430 1.00 0.00 C ATOM 482 CD GLU A 30 80.790 68.170 48.910 1.00 0.00 C ATOM 483 OE1 GLU A 30 80.940 67.540 47.830 1.00 0.00 O ATOM 484 OE2 GLU A 30 79.840 67.970 49.690 1.00 0.00 O ATOM 0 H GLU A 30 82.861 71.616 48.194 1.00 0.00 H new ATOM 0 HA GLU A 30 84.509 69.803 49.829 1.00 0.00 H new ATOM 0 HB2 GLU A 30 82.631 69.547 47.459 1.00 0.00 H new ATOM 0 HB3 GLU A 30 83.474 68.205 48.206 1.00 0.00 H new ATOM 0 HG2 GLU A 30 82.330 68.640 50.353 1.00 0.00 H new ATOM 0 HG3 GLU A 30 81.540 70.049 49.672 1.00 0.00 H new ATOM 491 N ASP A 31 85.280 70.550 46.710 1.00 0.00 N ATOM 492 CA ASP A 31 86.180 70.310 45.600 1.00 0.00 C ATOM 493 C ASP A 31 86.430 71.550 44.680 1.00 0.00 C ATOM 494 O ASP A 31 85.610 72.430 44.590 1.00 0.00 O ATOM 495 CB ASP A 31 85.580 69.130 44.820 1.00 0.00 C ATOM 496 CG ASP A 31 86.500 68.800 43.680 1.00 0.00 C ATOM 497 OD1 ASP A 31 87.670 69.030 43.770 1.00 0.00 O ATOM 498 OD2 ASP A 31 85.900 68.180 42.700 1.00 0.00 O ATOM 0 H ASP A 31 84.460 71.085 46.424 1.00 0.00 H new ATOM 0 HA ASP A 31 87.175 70.088 45.985 1.00 0.00 H new ATOM 0 HB2 ASP A 31 85.460 68.266 45.473 1.00 0.00 H new ATOM 0 HB3 ASP A 31 84.589 69.387 44.446 1.00 0.00 H new ATOM 503 N LYS A 32 87.540 71.670 43.910 1.00 0.00 N ATOM 504 CA LYS A 32 87.650 72.730 42.870 1.00 0.00 C ATOM 505 C LYS A 32 87.580 72.190 41.430 1.00 0.00 C ATOM 506 O LYS A 32 88.230 71.220 41.080 1.00 0.00 O ATOM 507 CB LYS A 32 88.890 73.570 43.170 1.00 0.00 C ATOM 508 CG LYS A 32 88.720 74.270 44.520 1.00 0.00 C ATOM 509 CD LYS A 32 89.990 75.060 44.840 1.00 0.00 C ATOM 510 CE LYS A 32 89.860 75.800 46.150 1.00 0.00 C ATOM 511 NZ LYS A 32 91.060 76.600 46.440 1.00 0.00 N ATOM 0 H LYS A 32 88.356 71.062 43.984 1.00 0.00 H new ATOM 0 HA LYS A 32 86.775 73.378 42.921 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.776 72.936 43.187 1.00 0.00 H new ATOM 0 HB3 LYS A 32 89.041 74.308 42.382 1.00 0.00 H new ATOM 0 HG2 LYS A 32 87.859 74.938 44.491 1.00 0.00 H new ATOM 0 HG3 LYS A 32 88.527 73.536 45.302 1.00 0.00 H new ATOM 0 HD2 LYS A 32 90.841 74.381 44.886 1.00 0.00 H new ATOM 0 HD3 LYS A 32 90.192 75.769 44.037 1.00 0.00 H new ATOM 0 HE2 LYS A 32 88.987 76.452 46.116 1.00 0.00 H new ATOM 0 HE3 LYS A 32 89.694 75.086 46.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 90.937 77.095 47.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 91.889 75.974 46.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 91.204 77.297 45.682 1.00 0.00 H new ATOM 525 N ARG A 33 86.640 72.690 40.620 1.00 0.00 N ATOM 526 CA ARG A 33 85.920 71.800 39.680 1.00 0.00 C ATOM 527 C ARG A 33 85.160 72.630 38.640 1.00 0.00 C ATOM 528 O ARG A 33 85.140 73.830 38.700 1.00 0.00 O ATOM 529 CB ARG A 33 84.950 70.900 40.470 1.00 0.00 C ATOM 530 CG ARG A 33 84.280 69.830 39.610 1.00 0.00 C ATOM 531 CD ARG A 33 83.120 69.200 40.290 1.00 0.00 C ATOM 532 NE ARG A 33 83.530 68.370 41.390 1.00 0.00 N ATOM 533 CZ ARG A 33 82.680 67.750 42.170 1.00 0.00 C ATOM 534 NH1 ARG A 33 81.400 67.730 41.910 1.00 0.00 N ATOM 535 NH2 ARG A 33 83.140 67.040 43.150 1.00 0.00 N ATOM 0 H ARG A 33 86.361 73.671 40.589 1.00 0.00 H new ATOM 0 HA ARG A 33 86.639 71.172 39.153 1.00 0.00 H new ATOM 0 HB2 ARG A 33 85.494 70.416 41.281 1.00 0.00 H new ATOM 0 HB3 ARG A 33 84.181 71.522 40.928 1.00 0.00 H new ATOM 0 HG2 ARG A 33 83.949 70.276 38.672 1.00 0.00 H new ATOM 0 HG3 ARG A 33 85.010 69.061 39.357 1.00 0.00 H new ATOM 0 HD2 ARG A 33 82.446 69.976 40.652 1.00 0.00 H new ATOM 0 HD3 ARG A 33 82.560 68.601 39.572 1.00 0.00 H new ATOM 0 HE ARG A 33 84.528 68.259 41.571 1.00 0.00 H new ATOM 0 HH11 ARG A 33 81.040 68.205 41.082 1.00 0.00 H new ATOM 0 HH12 ARG A 33 80.760 67.239 42.535 1.00 0.00 H new ATOM 0 HH21 ARG A 33 84.146 66.972 43.302 1.00 0.00 H new ATOM 0 HH22 ARG A 33 82.496 66.549 43.770 1.00 0.00 H new ATOM 549 N SER A 34 84.570 72.040 37.620 1.00 0.00 N ATOM 550 CA SER A 34 83.760 72.690 36.620 1.00 0.00 C ATOM 551 C SER A 34 82.510 71.890 36.430 1.00 0.00 C ATOM 552 O SER A 34 82.470 70.710 36.730 1.00 0.00 O ATOM 553 CB SER A 34 84.490 72.630 35.310 1.00 0.00 C ATOM 554 OG SER A 34 84.580 71.310 34.820 1.00 0.00 O ATOM 0 H SER A 34 84.650 71.036 37.461 1.00 0.00 H new ATOM 0 HA SER A 34 83.547 73.714 36.926 1.00 0.00 H new ATOM 0 HB2 SER A 34 83.977 73.255 34.579 1.00 0.00 H new ATOM 0 HB3 SER A 34 85.492 73.041 35.433 1.00 0.00 H new ATOM 0 HG SER A 34 85.060 71.310 33.965 1.00 0.00 H new ATOM 560 N ILE A 35 81.500 72.570 35.890 1.00 0.00 N ATOM 561 CA ILE A 35 80.230 71.960 35.560 1.00 0.00 C ATOM 562 C ILE A 35 79.890 72.170 34.090 1.00 0.00 C ATOM 563 O ILE A 35 80.200 73.210 33.500 1.00 0.00 O ATOM 564 CB ILE A 35 79.110 72.530 36.420 1.00 0.00 C ATOM 565 CG1 ILE A 35 77.890 71.650 36.340 1.00 0.00 C ATOM 566 CG2 ILE A 35 78.710 73.910 35.970 1.00 0.00 C ATOM 567 CD1 ILE A 35 76.910 72.120 37.360 1.00 0.00 C ATOM 0 H ILE A 35 81.548 73.565 35.671 1.00 0.00 H new ATOM 0 HA ILE A 35 80.323 70.892 35.757 1.00 0.00 H new ATOM 0 HB ILE A 35 79.489 72.577 37.441 1.00 0.00 H new ATOM 0 HG12 ILE A 35 77.453 71.696 35.343 1.00 0.00 H new ATOM 0 HG13 ILE A 35 78.159 70.610 36.522 1.00 0.00 H new ATOM 0 HG21 ILE A 35 77.909 74.283 36.608 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.569 74.578 36.038 1.00 0.00 H new ATOM 0 HG23 ILE A 35 78.363 73.870 34.938 1.00 0.00 H new ATOM 0 HD11 ILE A 35 76.017 71.497 37.321 1.00 0.00 H new ATOM 0 HD12 ILE A 35 77.357 72.052 38.352 1.00 0.00 H new ATOM 0 HD13 ILE A 35 76.639 73.156 37.154 1.00 0.00 H new ATOM 579 N PHE A 36 79.200 71.160 33.580 1.00 0.00 N ATOM 580 CA PHE A 36 78.360 71.130 32.380 1.00 0.00 C ATOM 581 C PHE A 36 76.880 71.220 32.710 1.00 0.00 C ATOM 582 O PHE A 36 76.310 70.370 33.390 1.00 0.00 O ATOM 583 CB PHE A 36 78.690 69.820 31.590 1.00 0.00 C ATOM 584 CG PHE A 36 79.780 69.740 30.530 1.00 0.00 C ATOM 585 CD1 PHE A 36 81.120 69.410 30.940 1.00 0.00 C ATOM 586 CD2 PHE A 36 79.570 70.410 29.320 1.00 0.00 C ATOM 587 CE1 PHE A 36 82.190 69.810 30.130 1.00 0.00 C ATOM 588 CE2 PHE A 36 80.650 70.720 28.480 1.00 0.00 C ATOM 589 CZ PHE A 36 81.970 70.400 28.880 1.00 0.00 C ATOM 0 H PHE A 36 79.212 70.249 34.038 1.00 0.00 H new ATOM 0 HA PHE A 36 78.579 72.004 31.767 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.928 69.061 32.336 1.00 0.00 H new ATOM 0 HB3 PHE A 36 77.764 69.510 31.105 1.00 0.00 H new ATOM 0 HD1 PHE A 36 81.297 68.864 31.855 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.568 70.691 29.030 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.202 69.661 30.476 1.00 0.00 H new ATOM 0 HE2 PHE A 36 80.475 71.202 27.530 1.00 0.00 H new ATOM 0 HZ PHE A 36 82.802 70.610 28.224 1.00 0.00 H new ATOM 599 N TYR A 37 76.190 72.190 32.150 1.00 0.00 N ATOM 600 CA TYR A 37 74.810 72.490 32.510 1.00 0.00 C ATOM 601 C TYR A 37 73.860 72.340 31.330 1.00 0.00 C ATOM 602 O TYR A 37 73.930 73.060 30.350 1.00 0.00 O ATOM 603 CB TYR A 37 74.760 73.880 33.080 1.00 0.00 C ATOM 604 CG TYR A 37 73.370 74.400 33.320 1.00 0.00 C ATOM 605 CD1 TYR A 37 72.700 74.000 34.470 1.00 0.00 C ATOM 606 CD2 TYR A 37 72.710 75.220 32.410 1.00 0.00 C ATOM 607 CE1 TYR A 37 71.390 74.390 34.750 1.00 0.00 C ATOM 608 CE2 TYR A 37 71.410 75.650 32.710 1.00 0.00 C ATOM 609 CZ TYR A 37 70.740 75.240 33.870 1.00 0.00 C ATOM 610 OH TYR A 37 69.430 75.490 34.120 1.00 0.00 O ATOM 0 H TYR A 37 76.569 72.801 31.426 1.00 0.00 H new ATOM 0 HA TYR A 37 74.474 71.770 33.256 1.00 0.00 H new ATOM 0 HB2 TYR A 37 75.308 73.894 34.022 1.00 0.00 H new ATOM 0 HB3 TYR A 37 75.277 74.558 32.400 1.00 0.00 H new ATOM 0 HD1 TYR A 37 73.213 73.362 35.174 1.00 0.00 H new ATOM 0 HD2 TYR A 37 73.190 75.519 31.490 1.00 0.00 H new ATOM 0 HE1 TYR A 37 70.890 74.035 35.639 1.00 0.00 H new ATOM 0 HE2 TYR A 37 70.909 76.318 32.025 1.00 0.00 H new ATOM 0 HH TYR A 37 69.177 76.346 33.715 1.00 0.00 H new ATOM 620 N PHE A 38 72.920 71.430 31.470 1.00 0.00 N ATOM 621 CA PHE A 38 72.120 70.790 30.410 1.00 0.00 C ATOM 622 C PHE A 38 70.690 71.240 30.550 1.00 0.00 C ATOM 623 O PHE A 38 69.890 70.570 31.210 1.00 0.00 O ATOM 624 CB PHE A 38 72.150 69.270 30.580 1.00 0.00 C ATOM 625 CG PHE A 38 73.480 68.670 30.300 1.00 0.00 C ATOM 626 CD1 PHE A 38 74.530 68.880 31.200 1.00 0.00 C ATOM 627 CD2 PHE A 38 73.680 67.900 29.150 1.00 0.00 C ATOM 628 CE1 PHE A 38 75.780 68.380 30.890 1.00 0.00 C ATOM 629 CE2 PHE A 38 74.960 67.420 28.840 1.00 0.00 C ATOM 630 CZ PHE A 38 76.030 67.770 29.660 1.00 0.00 C ATOM 0 H PHE A 38 72.664 71.081 32.394 1.00 0.00 H new ATOM 0 HA PHE A 38 72.528 71.065 29.437 1.00 0.00 H new ATOM 0 HB2 PHE A 38 71.854 69.020 31.599 1.00 0.00 H new ATOM 0 HB3 PHE A 38 71.411 68.823 29.915 1.00 0.00 H new ATOM 0 HD1 PHE A 38 74.367 69.423 32.119 1.00 0.00 H new ATOM 0 HD2 PHE A 38 72.847 67.675 28.500 1.00 0.00 H new ATOM 0 HE1 PHE A 38 76.578 68.463 31.613 1.00 0.00 H new ATOM 0 HE2 PHE A 38 75.114 66.788 27.978 1.00 0.00 H new ATOM 0 HZ PHE A 38 77.044 67.571 29.347 1.00 0.00 H new ATOM 640 N ALA A 39 70.350 72.400 29.970 1.00 0.00 N ATOM 641 CA ALA A 39 69.070 72.970 30.280 1.00 0.00 C ATOM 642 C ALA A 39 68.360 73.400 29.040 1.00 0.00 C ATOM 643 O ALA A 39 68.970 73.890 28.110 1.00 0.00 O ATOM 644 CB ALA A 39 69.240 74.110 31.250 1.00 0.00 C ATOM 0 H ALA A 39 70.927 72.928 29.315 1.00 0.00 H new ATOM 0 HA ALA A 39 68.449 72.210 30.753 1.00 0.00 H new ATOM 0 HB1 ALA A 39 68.265 74.539 31.482 1.00 0.00 H new ATOM 0 HB2 ALA A 39 69.702 73.742 32.166 1.00 0.00 H new ATOM 0 HB3 ALA A 39 69.876 74.875 30.805 1.00 0.00 H new ATOM 650 N PRO A 40 67.050 73.190 28.960 1.00 0.00 N ATOM 651 CA PRO A 40 66.530 72.540 27.780 1.00 0.00 C ATOM 652 C PRO A 40 66.780 73.260 26.460 1.00 0.00 C ATOM 653 O PRO A 40 66.520 74.460 26.380 1.00 0.00 O ATOM 654 CB PRO A 40 65.050 72.420 28.070 1.00 0.00 C ATOM 655 CG PRO A 40 65.020 72.290 29.570 1.00 0.00 C ATOM 656 CD PRO A 40 66.050 73.290 30.010 1.00 0.00 C ATOM 0 HA PRO A 40 67.041 71.591 27.619 1.00 0.00 H new ATOM 0 HB2 PRO A 40 64.497 73.295 27.728 1.00 0.00 H new ATOM 0 HB3 PRO A 40 64.609 71.552 27.579 1.00 0.00 H new ATOM 0 HG2 PRO A 40 64.035 72.518 29.976 1.00 0.00 H new ATOM 0 HG3 PRO A 40 65.272 71.280 29.894 1.00 0.00 H new ATOM 0 HD2 PRO A 40 65.635 74.296 30.082 1.00 0.00 H new ATOM 0 HD3 PRO A 40 66.462 73.045 30.989 1.00 0.00 H new ATOM 664 N THR A 41 67.020 72.480 25.400 1.00 0.00 N ATOM 665 CA THR A 41 66.980 73.020 24.030 1.00 0.00 C ATOM 666 C THR A 41 65.560 73.490 23.680 1.00 0.00 C ATOM 667 O THR A 41 65.330 74.520 23.060 1.00 0.00 O ATOM 668 CB THR A 41 67.410 71.940 23.030 1.00 0.00 C ATOM 669 OG1 THR A 41 68.710 71.470 23.280 1.00 0.00 O ATOM 670 CG2 THR A 41 67.350 72.480 21.620 1.00 0.00 C ATOM 0 H THR A 41 67.241 71.486 25.459 1.00 0.00 H new ATOM 0 HA THR A 41 67.663 73.867 23.975 1.00 0.00 H new ATOM 0 HB THR A 41 66.717 71.107 23.148 1.00 0.00 H new ATOM 0 HG1 THR A 41 69.350 71.971 22.732 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.658 71.704 20.920 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.330 72.791 21.392 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.019 73.336 21.529 1.00 0.00 H new ATOM 678 N ASN A 42 64.590 72.700 24.150 1.00 0.00 N ATOM 679 CA ASN A 42 63.190 72.760 23.750 1.00 0.00 C ATOM 680 C ASN A 42 62.490 74.030 24.220 1.00 0.00 C ATOM 681 O ASN A 42 61.640 74.540 23.520 1.00 0.00 O ATOM 682 CB ASN A 42 62.480 71.530 24.330 1.00 0.00 C ATOM 683 CG ASN A 42 62.850 70.270 23.580 1.00 0.00 C ATOM 684 OD1 ASN A 42 63.320 70.290 22.460 1.00 0.00 O ATOM 685 ND2 ASN A 42 62.740 69.130 24.210 1.00 0.00 N ATOM 0 H ASN A 42 64.770 71.976 24.845 1.00 0.00 H new ATOM 0 HA ASN A 42 63.146 72.771 22.661 1.00 0.00 H new ATOM 0 HB2 ASN A 42 62.744 71.419 25.382 1.00 0.00 H new ATOM 0 HB3 ASN A 42 61.401 71.677 24.286 1.00 0.00 H new ATOM 0 HD21 ASN A 42 63.048 68.267 23.761 1.00 0.00 H new ATOM 0 HD22 ASN A 42 62.347 69.103 25.151 1.00 0.00 H new ATOM 692 N ALA A 43 62.790 74.460 25.460 1.00 0.00 N ATOM 693 CA ALA A 43 62.120 75.610 26.060 1.00 0.00 C ATOM 694 C ALA A 43 63.030 76.830 26.220 1.00 0.00 C ATOM 695 O ALA A 43 62.540 77.950 26.220 1.00 0.00 O ATOM 696 CB ALA A 43 61.530 75.180 27.410 1.00 0.00 C ATOM 0 H ALA A 43 63.492 74.024 26.058 1.00 0.00 H new ATOM 0 HA ALA A 43 61.329 75.930 25.382 1.00 0.00 H new ATOM 0 HB1 ALA A 43 61.025 76.028 27.873 1.00 0.00 H new ATOM 0 HB2 ALA A 43 60.815 74.373 27.254 1.00 0.00 H new ATOM 0 HB3 ALA A 43 62.331 74.834 28.063 1.00 0.00 H new ATOM 702 N HIS A 44 64.310 76.600 26.450 1.00 0.00 N ATOM 703 CA HIS A 44 65.360 77.560 26.830 1.00 0.00 C ATOM 704 C HIS A 44 65.130 78.240 28.190 1.00 0.00 C ATOM 705 O HIS A 44 65.580 79.350 28.460 1.00 0.00 O ATOM 706 CB HIS A 44 65.570 78.580 25.710 1.00 0.00 C ATOM 707 CG HIS A 44 66.020 77.960 24.420 1.00 0.00 C ATOM 708 ND1 HIS A 44 67.150 77.170 24.280 1.00 0.00 N ATOM 709 CD2 HIS A 44 65.390 78.040 23.230 1.00 0.00 C ATOM 710 CE1 HIS A 44 67.170 76.790 23.000 1.00 0.00 C ATOM 711 NE2 HIS A 44 66.150 77.340 22.340 1.00 0.00 N ATOM 0 H HIS A 44 64.687 75.655 26.372 1.00 0.00 H new ATOM 0 HA HIS A 44 66.275 76.983 26.964 1.00 0.00 H new ATOM 0 HB2 HIS A 44 64.638 79.120 25.540 1.00 0.00 H new ATOM 0 HB3 HIS A 44 66.310 79.314 26.030 1.00 0.00 H new ATOM 0 HD2 HIS A 44 64.465 78.557 23.023 1.00 0.00 H new ATOM 0 HE1 HIS A 44 67.906 76.132 22.562 1.00 0.00 H new ATOM 0 HE2 HIS A 44 65.969 77.252 21.340 1.00 0.00 H new ATOM 719 N LYS A 45 64.370 77.550 29.050 1.00 0.00 N ATOM 720 CA LYS A 45 63.740 78.120 30.250 1.00 0.00 C ATOM 721 C LYS A 45 64.570 78.000 31.480 1.00 0.00 C ATOM 722 O LYS A 45 64.860 78.990 32.150 1.00 0.00 O ATOM 723 CB LYS A 45 62.300 77.610 30.420 1.00 0.00 C ATOM 724 CG LYS A 45 61.600 78.300 31.600 1.00 0.00 C ATOM 725 CD LYS A 45 60.200 77.720 31.790 1.00 0.00 C ATOM 726 CE LYS A 45 59.510 78.360 32.980 1.00 0.00 C ATOM 727 NZ LYS A 45 58.200 77.700 33.250 1.00 0.00 N ATOM 0 H LYS A 45 64.171 76.557 28.929 1.00 0.00 H new ATOM 0 HA LYS A 45 63.674 79.196 30.088 1.00 0.00 H new ATOM 0 HB2 LYS A 45 61.737 77.791 29.504 1.00 0.00 H new ATOM 0 HB3 LYS A 45 62.310 76.532 30.580 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.185 78.165 32.510 1.00 0.00 H new ATOM 0 HG3 LYS A 45 61.536 79.373 31.419 1.00 0.00 H new ATOM 0 HD2 LYS A 45 59.608 77.883 30.889 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.265 76.642 31.938 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.149 78.285 33.860 1.00 0.00 H new ATOM 0 HE3 LYS A 45 59.355 79.422 32.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 57.745 78.153 34.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 57.586 77.794 32.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.355 76.692 33.455 1.00 0.00 H new ATOM 741 N ASP A 46 64.930 76.770 31.790 1.00 0.00 N ATOM 742 CA ASP A 46 65.840 76.450 32.880 1.00 0.00 C ATOM 743 C ASP A 46 67.180 77.080 32.590 1.00 0.00 C ATOM 744 O ASP A 46 67.780 77.610 33.500 1.00 0.00 O ATOM 745 CB ASP A 46 65.970 74.950 33.060 1.00 0.00 C ATOM 746 CG ASP A 46 64.680 74.300 33.570 1.00 0.00 C ATOM 747 OD1 ASP A 46 63.730 75.140 33.880 1.00 0.00 O ATOM 748 OD2 ASP A 46 64.580 73.100 33.610 1.00 0.00 O ATOM 0 H ASP A 46 64.595 75.949 31.285 1.00 0.00 H new ATOM 0 HA ASP A 46 65.444 76.849 33.814 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.248 74.497 32.108 1.00 0.00 H new ATOM 0 HB3 ASP A 46 66.778 74.741 33.761 1.00 0.00 H new ATOM 753 N MET A 47 67.580 77.120 31.320 1.00 0.00 N ATOM 754 CA MET A 47 68.820 77.770 30.990 1.00 0.00 C ATOM 755 C MET A 47 68.880 79.280 31.250 1.00 0.00 C ATOM 756 O MET A 47 69.860 79.770 31.820 1.00 0.00 O ATOM 757 CB MET A 47 69.130 77.440 29.560 1.00 0.00 C ATOM 758 CG MET A 47 70.480 78.010 29.190 1.00 0.00 C ATOM 759 SD MET A 47 70.750 77.510 27.510 1.00 0.00 S ATOM 760 CE MET A 47 69.670 78.730 26.680 1.00 0.00 C ATOM 0 H MET A 47 67.072 76.719 30.532 1.00 0.00 H new ATOM 0 HA MET A 47 69.578 77.385 31.672 1.00 0.00 H new ATOM 0 HB2 MET A 47 69.129 76.359 29.417 1.00 0.00 H new ATOM 0 HB3 MET A 47 68.360 77.849 28.906 1.00 0.00 H new ATOM 0 HG2 MET A 47 70.488 79.096 29.284 1.00 0.00 H new ATOM 0 HG3 MET A 47 71.262 77.627 29.846 1.00 0.00 H new ATOM 0 HE1 MET A 47 68.865 78.210 26.161 1.00 0.00 H new ATOM 0 HE2 MET A 47 69.245 79.405 27.423 1.00 0.00 H new ATOM 0 HE3 MET A 47 70.255 79.304 25.961 1.00 0.00 H new ATOM 770 N LEU A 48 67.820 79.990 30.900 1.00 0.00 N ATOM 771 CA LEU A 48 67.670 81.420 31.200 1.00 0.00 C ATOM 772 C LEU A 48 67.720 81.660 32.710 1.00 0.00 C ATOM 773 O LEU A 48 68.340 82.610 33.180 1.00 0.00 O ATOM 774 CB LEU A 48 66.370 81.980 30.600 1.00 0.00 C ATOM 775 CG LEU A 48 66.180 83.490 30.890 1.00 0.00 C ATOM 776 CD1 LEU A 48 67.250 84.320 30.210 1.00 0.00 C ATOM 777 CD2 LEU A 48 64.840 83.940 30.390 1.00 0.00 C ATOM 0 H LEU A 48 67.027 79.594 30.395 1.00 0.00 H new ATOM 0 HA LEU A 48 68.503 81.951 30.740 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.373 81.819 29.522 1.00 0.00 H new ATOM 0 HB3 LEU A 48 65.521 81.427 31.002 1.00 0.00 H new ATOM 0 HG LEU A 48 66.252 83.631 31.968 1.00 0.00 H new ATOM 0 HD11 LEU A 48 67.089 85.375 30.433 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.232 84.018 30.575 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.200 84.165 29.132 1.00 0.00 H new ATOM 0 HD21 LEU A 48 64.712 85.003 30.597 1.00 0.00 H new ATOM 0 HD22 LEU A 48 64.777 83.769 29.315 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.055 83.376 30.894 1.00 0.00 H new ATOM 789 N LYS A 49 67.050 80.790 33.480 1.00 0.00 N ATOM 790 CA LYS A 49 67.060 80.830 34.960 1.00 0.00 C ATOM 791 C LYS A 49 68.440 80.650 35.560 1.00 0.00 C ATOM 792 O LYS A 49 68.770 81.330 36.520 1.00 0.00 O ATOM 793 CB LYS A 49 66.100 79.790 35.520 1.00 0.00 C ATOM 794 CG LYS A 49 64.650 80.080 35.160 1.00 0.00 C ATOM 795 CD LYS A 49 63.690 79.090 35.780 1.00 0.00 C ATOM 796 CE LYS A 49 62.250 79.490 35.490 1.00 0.00 C ATOM 797 NZ LYS A 49 61.350 78.480 36.070 1.00 0.00 N ATOM 0 H LYS A 49 66.482 80.034 33.098 1.00 0.00 H new ATOM 0 HA LYS A 49 66.731 81.829 35.244 1.00 0.00 H new ATOM 0 HB2 LYS A 49 66.375 78.806 35.141 1.00 0.00 H new ATOM 0 HB3 LYS A 49 66.201 79.754 36.605 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.392 81.086 35.489 1.00 0.00 H new ATOM 0 HG3 LYS A 49 64.537 80.060 34.076 1.00 0.00 H new ATOM 0 HD2 LYS A 49 63.883 78.092 35.386 1.00 0.00 H new ATOM 0 HD3 LYS A 49 63.851 79.044 36.857 1.00 0.00 H new ATOM 0 HE2 LYS A 49 62.039 80.472 35.914 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.089 79.566 34.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 60.364 78.794 35.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 61.479 77.575 35.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 61.571 78.357 37.079 1.00 0.00 H new ATOM 811 N ALA A 50 69.220 79.760 34.980 1.00 0.00 N ATOM 812 CA ALA A 50 70.600 79.490 35.360 1.00 0.00 C ATOM 813 C ALA A 50 71.490 80.730 35.240 1.00 0.00 C ATOM 814 O ALA A 50 72.290 81.020 36.130 1.00 0.00 O ATOM 815 CB ALA A 50 71.140 78.370 34.470 1.00 0.00 C ATOM 0 H ALA A 50 68.902 79.182 34.202 1.00 0.00 H new ATOM 0 HA ALA A 50 70.615 79.191 36.408 1.00 0.00 H new ATOM 0 HB1 ALA A 50 72.174 78.155 34.742 1.00 0.00 H new ATOM 0 HB2 ALA A 50 70.535 77.473 34.606 1.00 0.00 H new ATOM 0 HB3 ALA A 50 71.097 78.682 33.426 1.00 0.00 H new ATOM 821 N VAL A 51 71.300 81.530 34.190 1.00 0.00 N ATOM 822 CA VAL A 51 72.010 82.810 34.090 1.00 0.00 C ATOM 823 C VAL A 51 71.680 83.730 35.280 1.00 0.00 C ATOM 824 O VAL A 51 72.570 84.360 35.840 1.00 0.00 O ATOM 825 CB VAL A 51 71.710 83.550 32.790 1.00 0.00 C ATOM 826 CG1 VAL A 51 72.380 84.890 32.720 1.00 0.00 C ATOM 827 CG2 VAL A 51 72.220 82.780 31.600 1.00 0.00 C ATOM 0 H VAL A 51 70.675 81.323 33.411 1.00 0.00 H new ATOM 0 HA VAL A 51 73.071 82.561 34.103 1.00 0.00 H new ATOM 0 HB VAL A 51 70.626 83.663 32.773 1.00 0.00 H new ATOM 0 HG11 VAL A 51 72.132 85.372 31.774 1.00 0.00 H new ATOM 0 HG12 VAL A 51 72.036 85.513 33.546 1.00 0.00 H new ATOM 0 HG13 VAL A 51 73.460 84.761 32.789 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.993 83.330 30.687 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.299 82.649 31.686 1.00 0.00 H new ATOM 0 HG23 VAL A 51 71.738 81.803 31.565 1.00 0.00 H new ATOM 837 N ASP A 52 70.410 83.820 35.650 1.00 0.00 N ATOM 838 CA ASP A 52 70.020 84.600 36.830 1.00 0.00 C ATOM 839 C ASP A 52 70.580 84.070 38.130 1.00 0.00 C ATOM 840 O ASP A 52 71.110 84.850 38.910 1.00 0.00 O ATOM 841 CB ASP A 52 68.510 84.720 36.920 1.00 0.00 C ATOM 842 CG ASP A 52 67.980 85.670 35.840 1.00 0.00 C ATOM 843 OD1 ASP A 52 68.840 86.510 35.310 1.00 0.00 O ATOM 844 OD2 ASP A 52 66.840 85.620 35.510 1.00 0.00 O ATOM 0 H ASP A 52 69.636 83.371 35.161 1.00 0.00 H new ATOM 0 HA ASP A 52 70.461 85.587 36.688 1.00 0.00 H new ATOM 0 HB2 ASP A 52 68.054 83.737 36.803 1.00 0.00 H new ATOM 0 HB3 ASP A 52 68.227 85.088 37.906 1.00 0.00 H new ATOM 849 N PHE A 53 70.570 82.760 38.350 1.00 0.00 N ATOM 850 CA PHE A 53 71.130 82.180 39.550 1.00 0.00 C ATOM 851 C PHE A 53 72.610 82.540 39.740 1.00 0.00 C ATOM 852 O PHE A 53 73.050 82.780 40.870 1.00 0.00 O ATOM 853 CB PHE A 53 70.850 80.680 39.520 1.00 0.00 C ATOM 854 CG PHE A 53 69.390 80.320 39.680 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.530 81.160 40.410 1.00 0.00 C ATOM 856 CD2 PHE A 53 68.850 79.190 39.060 1.00 0.00 C ATOM 857 CE1 PHE A 53 67.180 80.840 40.510 1.00 0.00 C ATOM 858 CE2 PHE A 53 67.530 78.830 39.180 1.00 0.00 C ATOM 859 CZ PHE A 53 66.730 79.680 39.900 1.00 0.00 C ATOM 0 H PHE A 53 70.174 82.079 37.701 1.00 0.00 H new ATOM 0 HA PHE A 53 70.651 82.602 40.433 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.212 80.273 38.576 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.421 80.199 40.314 1.00 0.00 H new ATOM 0 HD1 PHE A 53 68.915 82.048 40.890 1.00 0.00 H new ATOM 0 HD2 PHE A 53 69.500 78.572 38.459 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.499 81.481 41.050 1.00 0.00 H new ATOM 0 HE2 PHE A 53 67.143 77.927 38.732 1.00 0.00 H new ATOM 0 HZ PHE A 53 65.684 79.430 39.998 1.00 0.00 H new ATOM 869 N PHE A 54 73.360 82.530 38.630 1.00 0.00 N ATOM 870 CA PHE A 54 74.830 82.580 38.670 1.00 0.00 C ATOM 871 C PHE A 54 75.190 83.940 39.180 1.00 0.00 C ATOM 872 O PHE A 54 76.050 84.130 40.020 1.00 0.00 O ATOM 873 CB PHE A 54 75.380 82.410 37.260 1.00 0.00 C ATOM 874 CG PHE A 54 76.850 82.710 37.170 1.00 0.00 C ATOM 875 CD1 PHE A 54 77.760 81.690 37.400 1.00 0.00 C ATOM 876 CD2 PHE A 54 77.300 84.000 36.890 1.00 0.00 C ATOM 877 CE1 PHE A 54 79.110 81.970 37.240 1.00 0.00 C ATOM 878 CE2 PHE A 54 78.670 84.220 36.710 1.00 0.00 C ATOM 879 CZ PHE A 54 79.560 83.160 36.750 1.00 0.00 C ATOM 0 H PHE A 54 72.971 82.488 37.688 1.00 0.00 H new ATOM 0 HA PHE A 54 75.240 81.792 39.302 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.201 81.388 36.925 1.00 0.00 H new ATOM 0 HB3 PHE A 54 74.837 83.068 36.581 1.00 0.00 H new ATOM 0 HD1 PHE A 54 77.428 80.706 37.695 1.00 0.00 H new ATOM 0 HD2 PHE A 54 76.600 84.819 36.813 1.00 0.00 H new ATOM 0 HE1 PHE A 54 79.832 81.216 37.514 1.00 0.00 H new ATOM 0 HE2 PHE A 54 79.035 85.222 36.539 1.00 0.00 H new ATOM 0 HZ PHE A 54 80.577 83.272 36.404 1.00 0.00 H new ATOM 889 N LYS A 55 74.450 84.920 38.640 1.00 0.00 N ATOM 890 CA LYS A 55 74.560 86.290 39.010 1.00 0.00 C ATOM 891 C LYS A 55 74.220 86.490 40.470 1.00 0.00 C ATOM 892 O LYS A 55 74.860 87.270 41.140 1.00 0.00 O ATOM 893 CB LYS A 55 73.630 87.130 38.150 1.00 0.00 C ATOM 894 CG LYS A 55 74.120 87.150 36.710 1.00 0.00 C ATOM 895 CD LYS A 55 73.160 87.960 35.850 1.00 0.00 C ATOM 896 CE LYS A 55 73.680 88.000 34.410 1.00 0.00 C ATOM 897 NZ LYS A 55 72.770 88.780 33.580 1.00 0.00 N ATOM 0 H LYS A 55 73.749 84.750 37.919 1.00 0.00 H new ATOM 0 HA LYS A 55 75.592 86.603 38.852 1.00 0.00 H new ATOM 0 HB2 LYS A 55 72.619 86.725 38.192 1.00 0.00 H new ATOM 0 HB3 LYS A 55 73.582 88.147 38.540 1.00 0.00 H new ATOM 0 HG2 LYS A 55 75.119 87.583 36.662 1.00 0.00 H new ATOM 0 HG3 LYS A 55 74.195 86.132 36.328 1.00 0.00 H new ATOM 0 HD2 LYS A 55 72.165 87.515 35.877 1.00 0.00 H new ATOM 0 HD3 LYS A 55 73.067 88.972 36.243 1.00 0.00 H new ATOM 0 HE2 LYS A 55 74.677 88.440 34.385 1.00 0.00 H new ATOM 0 HE3 LYS A 55 73.768 86.987 34.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 73.126 88.805 32.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 71.827 88.343 33.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 72.707 89.750 33.950 1.00 0.00 H new ATOM 911 N GLU A 56 73.140 85.850 40.930 1.00 0.00 N ATOM 912 CA GLU A 56 72.710 86.010 42.300 1.00 0.00 C ATOM 913 C GLU A 56 73.810 85.620 43.250 1.00 0.00 C ATOM 914 O GLU A 56 74.050 86.420 44.140 1.00 0.00 O ATOM 915 CB GLU A 56 71.440 85.200 42.560 1.00 0.00 C ATOM 916 CG GLU A 56 70.250 85.830 41.830 1.00 0.00 C ATOM 917 CD GLU A 56 68.980 84.960 41.960 1.00 0.00 C ATOM 918 OE1 GLU A 56 69.040 83.920 42.650 1.00 0.00 O ATOM 919 OE2 GLU A 56 67.900 85.360 41.480 1.00 0.00 O ATOM 0 H GLU A 56 72.560 85.225 40.371 1.00 0.00 H new ATOM 0 HA GLU A 56 72.479 87.061 42.472 1.00 0.00 H new ATOM 0 HB2 GLU A 56 71.580 84.173 42.223 1.00 0.00 H new ATOM 0 HB3 GLU A 56 71.239 85.160 43.631 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.056 86.822 42.238 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.496 85.961 40.776 1.00 0.00 H new ATOM 926 N LYS A 57 74.470 84.460 43.010 1.00 0.00 N ATOM 927 CA LYS A 57 75.360 83.730 43.910 1.00 0.00 C ATOM 928 C LYS A 57 76.800 83.580 43.440 1.00 0.00 C ATOM 929 O LYS A 57 77.100 83.210 42.320 1.00 0.00 O ATOM 930 CB LYS A 57 74.780 82.330 44.100 1.00 0.00 C ATOM 931 CG LYS A 57 73.460 82.390 44.860 1.00 0.00 C ATOM 932 CD LYS A 57 72.880 81.020 45.010 1.00 0.00 C ATOM 933 CE LYS A 57 71.580 81.030 45.800 1.00 0.00 C ATOM 934 NZ LYS A 57 71.050 79.660 46.030 1.00 0.00 N ATOM 0 H LYS A 57 74.379 83.986 42.112 1.00 0.00 H new ATOM 0 HA LYS A 57 75.409 84.320 44.825 1.00 0.00 H new ATOM 0 HB2 LYS A 57 74.625 81.861 43.128 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.490 81.708 44.644 1.00 0.00 H new ATOM 0 HG2 LYS A 57 73.619 82.834 45.843 1.00 0.00 H new ATOM 0 HG3 LYS A 57 72.757 83.033 44.330 1.00 0.00 H new ATOM 0 HD2 LYS A 57 72.700 80.593 44.023 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.602 80.374 45.510 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.744 81.520 46.760 1.00 0.00 H new ATOM 0 HE3 LYS A 57 70.836 81.620 45.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 70.035 79.638 45.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 71.555 78.986 45.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 71.189 79.397 47.026 1.00 0.00 H new ATOM 948 N GLY A 58 77.710 83.670 44.390 1.00 0.00 N ATOM 949 CA GLY A 58 79.140 83.810 44.270 1.00 0.00 C ATOM 950 C GLY A 58 80.010 82.570 44.360 1.00 0.00 C ATOM 951 O GLY A 58 81.110 82.670 44.840 1.00 0.00 O ATOM 0 H GLY A 58 77.429 83.643 45.370 1.00 0.00 H new ATOM 0 HA2 GLY A 58 79.345 84.287 43.312 1.00 0.00 H new ATOM 0 HA3 GLY A 58 79.469 84.500 45.046 1.00 0.00 H new ATOM 955 N HIS A 59 79.580 81.380 43.930 1.00 0.00 N ATOM 956 CA HIS A 59 80.520 80.250 44.060 1.00 0.00 C ATOM 957 C HIS A 59 81.350 79.880 42.810 1.00 0.00 C ATOM 958 O HIS A 59 82.540 79.550 42.900 1.00 0.00 O ATOM 959 CB HIS A 59 79.740 79.070 44.570 1.00 0.00 C ATOM 960 CG HIS A 59 79.170 79.280 45.950 1.00 0.00 C ATOM 961 ND1 HIS A 59 79.920 79.160 47.100 1.00 0.00 N ATOM 962 CD2 HIS A 59 77.890 79.620 46.300 1.00 0.00 C ATOM 963 CE1 HIS A 59 79.090 79.440 48.110 1.00 0.00 C ATOM 964 NE2 HIS A 59 77.870 79.720 47.660 1.00 0.00 N ATOM 0 H HIS A 59 78.668 81.175 43.521 1.00 0.00 H new ATOM 0 HA HIS A 59 81.293 80.573 44.757 1.00 0.00 H new ATOM 0 HB2 HIS A 59 78.926 78.855 43.878 1.00 0.00 H new ATOM 0 HB3 HIS A 59 80.388 78.193 44.582 1.00 0.00 H new ATOM 0 HD2 HIS A 59 77.058 79.778 45.629 1.00 0.00 H new ATOM 0 HE1 HIS A 59 79.372 79.439 49.152 1.00 0.00 H new ATOM 0 HE2 HIS A 59 77.062 79.966 48.231 1.00 0.00 H new ATOM 972 N THR A 60 80.760 79.920 41.640 1.00 0.00 N ATOM 973 CA THR A 60 81.500 79.730 40.390 1.00 0.00 C ATOM 974 C THR A 60 82.570 80.840 40.150 1.00 0.00 C ATOM 975 O THR A 60 82.580 81.960 40.660 1.00 0.00 O ATOM 976 CB THR A 60 80.510 79.500 39.230 1.00 0.00 C ATOM 977 OG1 THR A 60 79.820 78.360 39.480 1.00 0.00 O ATOM 978 CG2 THR A 60 81.170 79.400 37.880 1.00 0.00 C ATOM 0 H THR A 60 79.761 80.083 41.514 1.00 0.00 H new ATOM 0 HA THR A 60 82.103 78.825 40.459 1.00 0.00 H new ATOM 0 HB THR A 60 79.855 80.370 39.184 1.00 0.00 H new ATOM 0 HG1 THR A 60 79.032 78.320 38.898 1.00 0.00 H new ATOM 0 HG21 THR A 60 80.411 79.238 37.115 1.00 0.00 H new ATOM 0 HG22 THR A 60 81.707 80.324 37.668 1.00 0.00 H new ATOM 0 HG23 THR A 60 81.870 78.565 37.878 1.00 0.00 H new ATOM 986 N ALA A 61 83.610 80.500 39.410 1.00 0.00 N ATOM 987 CA ALA A 61 84.440 81.570 38.930 1.00 0.00 C ATOM 988 C ALA A 61 83.860 82.320 37.780 1.00 0.00 C ATOM 989 O ALA A 61 83.910 83.550 37.740 1.00 0.00 O ATOM 990 CB ALA A 61 85.730 80.910 38.620 1.00 0.00 C ATOM 0 H ALA A 61 83.883 79.553 39.145 1.00 0.00 H new ATOM 0 HA ALA A 61 84.551 82.360 39.673 1.00 0.00 H new ATOM 0 HB1 ALA A 61 86.436 81.650 38.244 1.00 0.00 H new ATOM 0 HB2 ALA A 61 86.131 80.453 39.524 1.00 0.00 H new ATOM 0 HB3 ALA A 61 85.573 80.141 37.864 1.00 0.00 H new ATOM 996 N TYR A 62 83.280 81.550 36.850 1.00 0.00 N ATOM 997 CA TYR A 62 82.730 82.100 35.660 1.00 0.00 C ATOM 998 C TYR A 62 81.650 81.260 34.950 1.00 0.00 C ATOM 999 O TYR A 62 81.700 80.030 34.970 1.00 0.00 O ATOM 1000 CB TYR A 62 83.940 82.330 34.770 1.00 0.00 C ATOM 1001 CG TYR A 62 83.570 83.100 33.550 1.00 0.00 C ATOM 1002 CD1 TYR A 62 83.360 84.490 33.630 1.00 0.00 C ATOM 1003 CD2 TYR A 62 83.390 82.410 32.350 1.00 0.00 C ATOM 1004 CE1 TYR A 62 82.980 85.210 32.470 1.00 0.00 C ATOM 1005 CE2 TYR A 62 83.090 83.150 31.200 1.00 0.00 C ATOM 1006 CZ TYR A 62 82.820 84.520 31.260 1.00 0.00 C ATOM 1007 OH TYR A 62 82.520 85.220 30.130 1.00 0.00 O ATOM 0 H TYR A 62 83.192 80.537 36.925 1.00 0.00 H new ATOM 0 HA TYR A 62 82.171 83.004 35.902 1.00 0.00 H new ATOM 0 HB2 TYR A 62 84.707 82.870 35.326 1.00 0.00 H new ATOM 0 HB3 TYR A 62 84.371 81.371 34.482 1.00 0.00 H new ATOM 0 HD1 TYR A 62 83.488 85.005 34.571 1.00 0.00 H new ATOM 0 HD2 TYR A 62 83.480 81.334 32.310 1.00 0.00 H new ATOM 0 HE1 TYR A 62 82.816 86.276 32.517 1.00 0.00 H new ATOM 0 HE2 TYR A 62 83.067 82.650 30.243 1.00 0.00 H new ATOM 0 HH TYR A 62 82.442 84.602 29.373 1.00 0.00 H new ATOM 1017 N LEU A 63 80.770 81.910 34.190 1.00 0.00 N ATOM 1018 CA LEU A 63 79.790 81.180 33.390 1.00 0.00 C ATOM 1019 C LEU A 63 79.930 81.570 31.940 1.00 0.00 C ATOM 1020 O LEU A 63 79.760 82.740 31.620 1.00 0.00 O ATOM 1021 CB LEU A 63 78.350 81.470 33.880 1.00 0.00 C ATOM 1022 CG LEU A 63 77.290 80.760 33.040 1.00 0.00 C ATOM 1023 CD1 LEU A 63 77.510 79.290 33.110 1.00 0.00 C ATOM 1024 CD2 LEU A 63 75.870 81.060 33.530 1.00 0.00 C ATOM 0 H LEU A 63 80.715 82.926 34.112 1.00 0.00 H new ATOM 0 HA LEU A 63 79.978 80.112 33.500 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.254 81.157 34.920 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.170 82.545 33.853 1.00 0.00 H new ATOM 0 HG LEU A 63 77.385 81.125 32.017 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.755 78.780 32.511 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.501 79.052 32.724 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.435 78.960 34.146 1.00 0.00 H new ATOM 0 HD21 LEU A 63 75.150 80.534 32.903 1.00 0.00 H new ATOM 0 HD22 LEU A 63 75.763 80.727 34.562 1.00 0.00 H new ATOM 0 HD23 LEU A 63 75.685 82.133 33.474 1.00 0.00 H new ATOM 1036 N ASP A 64 80.120 80.580 31.020 1.00 0.00 N ATOM 1037 CA ASP A 64 79.850 80.830 29.600 1.00 0.00 C ATOM 1038 C ASP A 64 79.220 79.710 28.780 1.00 0.00 C ATOM 1039 O ASP A 64 79.340 78.550 29.110 1.00 0.00 O ATOM 1040 CB ASP A 64 81.150 81.230 28.910 1.00 0.00 C ATOM 1041 CG ASP A 64 81.070 81.720 27.450 1.00 0.00 C ATOM 1042 OD1 ASP A 64 80.020 82.040 26.860 1.00 0.00 O ATOM 1043 OD2 ASP A 64 82.150 81.820 26.820 1.00 0.00 O ATOM 0 H ASP A 64 80.447 79.639 31.239 1.00 0.00 H new ATOM 0 HA ASP A 64 79.092 81.612 29.627 1.00 0.00 H new ATOM 0 HB2 ASP A 64 81.614 82.018 29.502 1.00 0.00 H new ATOM 0 HB3 ASP A 64 81.822 80.372 28.939 1.00 0.00 H new ATOM 1048 N GLU A 65 78.540 80.030 27.690 1.00 0.00 N ATOM 1049 CA GLU A 65 78.010 78.980 26.840 1.00 0.00 C ATOM 1050 C GLU A 65 79.030 78.030 26.230 1.00 0.00 C ATOM 1051 O GLU A 65 80.150 78.380 25.900 1.00 0.00 O ATOM 1052 CB GLU A 65 77.180 79.630 25.750 1.00 0.00 C ATOM 1053 CG GLU A 65 75.900 80.160 26.370 1.00 0.00 C ATOM 1054 CD GLU A 65 74.940 80.690 25.250 1.00 0.00 C ATOM 1055 OE1 GLU A 65 75.310 80.770 24.030 1.00 0.00 O ATOM 1056 OE2 GLU A 65 73.780 81.010 25.540 1.00 0.00 O ATOM 0 H GLU A 65 78.346 80.982 27.380 1.00 0.00 H new ATOM 0 HA GLU A 65 77.416 78.338 27.490 1.00 0.00 H new ATOM 0 HB2 GLU A 65 77.738 80.441 25.282 1.00 0.00 H new ATOM 0 HB3 GLU A 65 76.951 78.907 24.967 1.00 0.00 H new ATOM 0 HG2 GLU A 65 75.408 79.371 26.938 1.00 0.00 H new ATOM 0 HG3 GLU A 65 76.131 80.962 27.072 1.00 0.00 H new ATOM 1063 N VAL A 66 78.560 76.790 25.940 1.00 0.00 N ATOM 1064 CA VAL A 66 79.290 76.000 24.960 1.00 0.00 C ATOM 1065 C VAL A 66 79.050 76.610 23.600 1.00 0.00 C ATOM 1066 O VAL A 66 78.100 77.350 23.320 1.00 0.00 O ATOM 1067 CB VAL A 66 78.980 74.500 24.960 1.00 0.00 C ATOM 1068 CG1 VAL A 66 79.210 73.860 26.330 1.00 0.00 C ATOM 1069 CG2 VAL A 66 77.560 74.250 24.510 1.00 0.00 C ATOM 0 H VAL A 66 77.734 76.352 26.348 1.00 0.00 H new ATOM 0 HA VAL A 66 80.343 76.039 25.237 1.00 0.00 H new ATOM 0 HB VAL A 66 79.671 74.035 24.257 1.00 0.00 H new ATOM 0 HG11 VAL A 66 78.977 72.797 26.279 1.00 0.00 H new ATOM 0 HG12 VAL A 66 80.252 73.989 26.622 1.00 0.00 H new ATOM 0 HG13 VAL A 66 78.565 74.338 27.068 1.00 0.00 H new ATOM 0 HG21 VAL A 66 77.359 73.179 24.517 1.00 0.00 H new ATOM 0 HG22 VAL A 66 76.870 74.753 25.187 1.00 0.00 H new ATOM 0 HG23 VAL A 66 77.425 74.638 23.500 1.00 0.00 H new ATOM 1079 N ARG A 67 79.910 76.310 22.680 1.00 0.00 N ATOM 1080 CA ARG A 67 79.910 76.730 21.280 1.00 0.00 C ATOM 1081 C ARG A 67 79.400 75.640 20.330 1.00 0.00 C ATOM 1082 O ARG A 67 79.400 75.840 19.140 1.00 0.00 O ATOM 1083 CB ARG A 67 81.340 77.090 20.940 1.00 0.00 C ATOM 1084 CG ARG A 67 81.900 78.230 21.760 1.00 0.00 C ATOM 1085 CD ARG A 67 81.250 79.520 21.430 1.00 0.00 C ATOM 1086 NE ARG A 67 81.830 80.510 22.350 1.00 0.00 N ATOM 1087 CZ ARG A 67 81.200 80.900 23.440 1.00 0.00 C ATOM 1088 NH1 ARG A 67 80.140 80.280 23.870 1.00 0.00 N ATOM 1089 NH2 ARG A 67 81.600 81.960 24.080 1.00 0.00 N ATOM 0 H ARG A 67 80.709 75.712 22.889 1.00 0.00 H new ATOM 0 HA ARG A 67 79.231 77.573 21.154 1.00 0.00 H new ATOM 0 HB2 ARG A 67 81.969 76.211 21.082 1.00 0.00 H new ATOM 0 HB3 ARG A 67 81.396 77.354 19.884 1.00 0.00 H new ATOM 0 HG2 ARG A 67 81.764 78.016 22.820 1.00 0.00 H new ATOM 0 HG3 ARG A 67 82.973 78.309 21.586 1.00 0.00 H new ATOM 0 HD2 ARG A 67 81.435 79.796 20.392 1.00 0.00 H new ATOM 0 HD3 ARG A 67 80.169 79.456 21.555 1.00 0.00 H new ATOM 0 HE ARG A 67 82.746 80.906 22.139 1.00 0.00 H new ATOM 0 HH11 ARG A 67 79.779 79.473 23.361 1.00 0.00 H new ATOM 0 HH12 ARG A 67 79.670 80.601 24.716 1.00 0.00 H new ATOM 0 HH21 ARG A 67 82.402 82.490 23.738 1.00 0.00 H new ATOM 0 HH22 ARG A 67 81.112 82.261 24.923 1.00 0.00 H new ATOM 1103 N VAL A 68 78.860 74.530 20.880 1.00 0.00 N ATOM 1104 CA VAL A 68 77.760 73.820 20.180 1.00 0.00 C ATOM 1105 C VAL A 68 76.450 74.580 20.400 1.00 0.00 C ATOM 1106 O VAL A 68 75.400 74.120 19.970 1.00 0.00 O ATOM 1107 CB VAL A 68 77.550 72.360 20.640 1.00 0.00 C ATOM 1108 CG1 VAL A 68 78.840 71.580 20.520 1.00 0.00 C ATOM 1109 CG2 VAL A 68 77.160 72.290 22.110 1.00 0.00 C ATOM 0 H VAL A 68 79.150 74.118 21.767 1.00 0.00 H new ATOM 0 HA VAL A 68 78.049 73.786 19.130 1.00 0.00 H new ATOM 0 HB VAL A 68 76.763 71.948 20.008 1.00 0.00 H new ATOM 0 HG11 VAL A 68 78.676 70.553 20.848 1.00 0.00 H new ATOM 0 HG12 VAL A 68 79.171 71.581 19.481 1.00 0.00 H new ATOM 0 HG13 VAL A 68 79.604 72.043 21.144 1.00 0.00 H new ATOM 0 HG21 VAL A 68 77.020 71.249 22.400 1.00 0.00 H new ATOM 0 HG22 VAL A 68 77.949 72.733 22.717 1.00 0.00 H new ATOM 0 HG23 VAL A 68 76.231 72.838 22.266 1.00 0.00 H new ATOM 1119 N SER A 69 76.480 75.710 21.160 1.00 0.00 N ATOM 1120 CA SER A 69 75.230 76.350 21.550 1.00 0.00 C ATOM 1121 C SER A 69 74.550 76.780 20.310 1.00 0.00 C ATOM 1122 O SER A 69 73.340 76.670 20.210 1.00 0.00 O ATOM 1123 CB SER A 69 75.390 77.610 22.410 1.00 0.00 C ATOM 1124 OG SER A 69 75.860 78.740 21.690 1.00 0.00 O ATOM 0 H SER A 69 77.328 76.168 21.494 1.00 0.00 H new ATOM 0 HA SER A 69 74.684 75.617 22.144 1.00 0.00 H new ATOM 0 HB2 SER A 69 74.429 77.854 22.863 1.00 0.00 H new ATOM 0 HB3 SER A 69 76.082 77.397 23.225 1.00 0.00 H new ATOM 0 HG SER A 69 76.818 78.859 21.857 1.00 0.00 H new ATOM 1130 N THR A 70 75.330 77.260 19.340 1.00 0.00 N ATOM 1131 CA THR A 70 74.760 77.910 18.200 1.00 0.00 C ATOM 1132 C THR A 70 73.870 76.970 17.410 1.00 0.00 C ATOM 1133 O THR A 70 72.780 77.320 16.990 1.00 0.00 O ATOM 1134 CB THR A 70 75.870 78.500 17.370 1.00 0.00 C ATOM 1135 OG1 THR A 70 76.560 79.510 18.090 1.00 0.00 O ATOM 1136 CG2 THR A 70 75.270 79.140 16.170 1.00 0.00 C ATOM 0 H THR A 70 76.348 77.203 19.337 1.00 0.00 H new ATOM 0 HA THR A 70 74.109 78.721 18.527 1.00 0.00 H new ATOM 0 HB THR A 70 76.565 77.703 17.104 1.00 0.00 H new ATOM 0 HG1 THR A 70 77.277 79.877 17.532 1.00 0.00 H new ATOM 0 HG21 THR A 70 76.059 79.574 15.556 1.00 0.00 H new ATOM 0 HG22 THR A 70 74.729 78.392 15.591 1.00 0.00 H new ATOM 0 HG23 THR A 70 74.581 79.925 16.482 1.00 0.00 H new ATOM 1144 N ASP A 71 74.370 75.760 17.320 1.00 0.00 N ATOM 1145 CA ASP A 71 73.630 74.650 16.850 1.00 0.00 C ATOM 1146 C ASP A 71 72.420 74.240 17.700 1.00 0.00 C ATOM 1147 O ASP A 71 71.290 74.220 17.240 1.00 0.00 O ATOM 1148 CB ASP A 71 74.640 73.570 16.640 1.00 0.00 C ATOM 1149 CG ASP A 71 75.520 73.810 15.400 1.00 0.00 C ATOM 1150 OD1 ASP A 71 75.120 74.740 14.570 1.00 0.00 O ATOM 1151 OD2 ASP A 71 76.530 73.210 15.240 1.00 0.00 O ATOM 0 H ASP A 71 75.329 75.532 17.582 1.00 0.00 H new ATOM 0 HA ASP A 71 73.119 74.906 15.922 1.00 0.00 H new ATOM 0 HB2 ASP A 71 75.276 73.497 17.522 1.00 0.00 H new ATOM 0 HB3 ASP A 71 74.127 72.614 16.536 1.00 0.00 H new ATOM 1156 N GLU A 72 72.650 73.970 18.970 1.00 0.00 N ATOM 1157 CA GLU A 72 71.770 73.060 19.700 1.00 0.00 C ATOM 1158 C GLU A 72 71.220 73.670 20.960 1.00 0.00 C ATOM 1159 O GLU A 72 70.190 73.250 21.450 1.00 0.00 O ATOM 1160 CB GLU A 72 72.550 71.810 20.090 1.00 0.00 C ATOM 1161 CG GLU A 72 72.860 70.960 18.860 1.00 0.00 C ATOM 1162 CD GLU A 72 73.650 69.700 19.240 1.00 0.00 C ATOM 1163 OE1 GLU A 72 73.970 69.520 20.440 1.00 0.00 O ATOM 1164 OE2 GLU A 72 74.040 68.970 18.310 1.00 0.00 O ATOM 0 H GLU A 72 73.421 74.356 19.515 1.00 0.00 H new ATOM 0 HA GLU A 72 70.936 72.828 19.038 1.00 0.00 H new ATOM 0 HB2 GLU A 72 73.479 72.095 20.585 1.00 0.00 H new ATOM 0 HB3 GLU A 72 71.974 71.225 20.807 1.00 0.00 H new ATOM 0 HG2 GLU A 72 71.930 70.675 18.368 1.00 0.00 H new ATOM 0 HG3 GLU A 72 73.432 71.549 18.143 1.00 0.00 H new ATOM 1171 N LYS A 73 71.900 74.700 21.490 1.00 0.00 N ATOM 1172 CA LYS A 73 71.470 75.460 22.640 1.00 0.00 C ATOM 1173 C LYS A 73 71.170 74.690 23.910 1.00 0.00 C ATOM 1174 O LYS A 73 70.220 75.020 24.620 1.00 0.00 O ATOM 1175 CB LYS A 73 70.280 76.310 22.220 1.00 0.00 C ATOM 1176 CG LYS A 73 70.670 77.510 21.370 1.00 0.00 C ATOM 1177 CD LYS A 73 71.620 78.420 22.140 1.00 0.00 C ATOM 1178 CE LYS A 73 72.060 79.580 21.290 1.00 0.00 C ATOM 1179 NZ LYS A 73 73.080 80.380 21.990 1.00 0.00 N ATOM 0 H LYS A 73 72.788 75.024 21.107 1.00 0.00 H new ATOM 0 HA LYS A 73 72.331 76.060 22.935 1.00 0.00 H new ATOM 0 HB2 LYS A 73 69.578 75.690 21.662 1.00 0.00 H new ATOM 0 HB3 LYS A 73 69.758 76.659 23.111 1.00 0.00 H new ATOM 0 HG2 LYS A 73 71.146 77.172 20.449 1.00 0.00 H new ATOM 0 HG3 LYS A 73 69.777 78.065 21.082 1.00 0.00 H new ATOM 0 HD2 LYS A 73 71.127 78.789 23.039 1.00 0.00 H new ATOM 0 HD3 LYS A 73 72.491 77.851 22.465 1.00 0.00 H new ATOM 0 HE2 LYS A 73 72.463 79.213 20.346 1.00 0.00 H new ATOM 0 HE3 LYS A 73 71.202 80.207 21.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 73.150 81.318 21.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 72.811 80.489 22.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 74.000 79.899 21.930 1.00 0.00 H new ATOM 1193 N ASP A 74 72.010 73.730 24.260 1.00 0.00 N ATOM 1194 CA ASP A 74 71.720 72.970 25.460 1.00 0.00 C ATOM 1195 C ASP A 74 72.570 73.360 26.670 1.00 0.00 C ATOM 1196 O ASP A 74 72.080 73.560 27.770 1.00 0.00 O ATOM 1197 CB ASP A 74 71.890 71.510 25.110 1.00 0.00 C ATOM 1198 CG ASP A 74 71.200 70.600 26.150 1.00 0.00 C ATOM 1199 OD1 ASP A 74 71.420 70.860 27.400 1.00 0.00 O ATOM 1200 OD2 ASP A 74 70.450 69.740 25.820 1.00 0.00 O ATOM 0 H ASP A 74 72.858 73.468 23.758 1.00 0.00 H new ATOM 0 HA ASP A 74 70.700 73.190 25.775 1.00 0.00 H new ATOM 0 HB2 ASP A 74 71.471 71.319 24.122 1.00 0.00 H new ATOM 0 HB3 ASP A 74 72.951 71.267 25.058 1.00 0.00 H new ATOM 1205 N PHE A 75 73.900 73.480 26.430 1.00 0.00 N ATOM 1206 CA PHE A 75 74.900 73.260 27.450 1.00 0.00 C ATOM 1207 C PHE A 75 75.540 74.600 27.830 1.00 0.00 C ATOM 1208 O PHE A 75 76.000 75.370 26.990 1.00 0.00 O ATOM 1209 CB PHE A 75 75.960 72.220 27.040 1.00 0.00 C ATOM 1210 CG PHE A 75 75.430 71.070 26.230 1.00 0.00 C ATOM 1211 CD1 PHE A 75 74.850 69.970 26.870 1.00 0.00 C ATOM 1212 CD2 PHE A 75 75.470 71.110 24.830 1.00 0.00 C ATOM 1213 CE1 PHE A 75 74.320 68.920 26.100 1.00 0.00 C ATOM 1214 CE2 PHE A 75 74.950 70.060 24.060 1.00 0.00 C ATOM 1215 CZ PHE A 75 74.380 68.960 24.710 1.00 0.00 C ATOM 0 H PHE A 75 74.286 73.732 25.520 1.00 0.00 H new ATOM 0 HA PHE A 75 74.402 72.837 28.322 1.00 0.00 H new ATOM 0 HB2 PHE A 75 76.739 72.722 26.467 1.00 0.00 H new ATOM 0 HB3 PHE A 75 76.431 71.826 27.941 1.00 0.00 H new ATOM 0 HD1 PHE A 75 74.810 69.928 27.948 1.00 0.00 H new ATOM 0 HD2 PHE A 75 75.909 71.964 24.336 1.00 0.00 H new ATOM 0 HE1 PHE A 75 73.862 68.074 26.592 1.00 0.00 H new ATOM 0 HE2 PHE A 75 74.989 70.100 22.981 1.00 0.00 H new ATOM 0 HZ PHE A 75 73.985 68.139 24.131 1.00 0.00 H new ATOM 1225 N LEU A 76 75.590 74.910 29.090 1.00 0.00 N ATOM 1226 CA LEU A 76 76.470 75.920 29.660 1.00 0.00 C ATOM 1227 C LEU A 76 77.710 75.280 30.210 1.00 0.00 C ATOM 1228 O LEU A 76 77.670 74.170 30.770 1.00 0.00 O ATOM 1229 CB LEU A 76 75.750 76.680 30.730 1.00 0.00 C ATOM 1230 CG LEU A 76 74.540 77.450 30.280 1.00 0.00 C ATOM 1231 CD1 LEU A 76 73.790 78.040 31.470 1.00 0.00 C ATOM 1232 CD2 LEU A 76 75.030 78.580 29.390 1.00 0.00 C ATOM 0 H LEU A 76 75.001 74.456 29.788 1.00 0.00 H new ATOM 0 HA LEU A 76 76.764 76.617 28.875 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.444 75.978 31.505 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.451 77.377 31.190 1.00 0.00 H new ATOM 0 HG LEU A 76 73.857 76.786 29.750 1.00 0.00 H new ATOM 0 HD11 LEU A 76 72.920 78.591 31.114 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.465 77.236 32.130 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.449 78.715 32.017 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.178 79.164 29.042 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.704 79.223 29.956 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.560 78.164 28.533 1.00 0.00 H new ATOM 1244 N TYR A 77 78.810 75.980 30.010 1.00 0.00 N ATOM 1245 CA TYR A 77 80.080 75.560 30.500 1.00 0.00 C ATOM 1246 C TYR A 77 80.460 76.540 31.560 1.00 0.00 C ATOM 1247 O TYR A 77 80.870 77.680 31.290 1.00 0.00 O ATOM 1248 CB TYR A 77 81.170 75.490 29.420 1.00 0.00 C ATOM 1249 CG TYR A 77 82.430 74.760 29.860 1.00 0.00 C ATOM 1250 CD1 TYR A 77 82.390 73.860 30.910 1.00 0.00 C ATOM 1251 CD2 TYR A 77 83.670 75.020 29.290 1.00 0.00 C ATOM 1252 CE1 TYR A 77 83.460 73.050 31.300 1.00 0.00 C ATOM 1253 CE2 TYR A 77 84.810 74.300 29.730 1.00 0.00 C ATOM 1254 CZ TYR A 77 84.690 73.280 30.700 1.00 0.00 C ATOM 1255 OH TYR A 77 85.750 72.600 31.170 1.00 0.00 O ATOM 0 H TYR A 77 78.833 76.861 29.497 1.00 0.00 H new ATOM 0 HA TYR A 77 79.998 74.541 30.879 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.763 74.993 28.539 1.00 0.00 H new ATOM 0 HB3 TYR A 77 81.436 76.504 29.120 1.00 0.00 H new ATOM 0 HD1 TYR A 77 81.468 73.778 31.467 1.00 0.00 H new ATOM 0 HD2 TYR A 77 83.765 75.767 28.516 1.00 0.00 H new ATOM 0 HE1 TYR A 77 83.334 72.274 32.041 1.00 0.00 H new ATOM 0 HE2 TYR A 77 85.781 74.534 29.319 1.00 0.00 H new ATOM 0 HH TYR A 77 86.551 72.851 30.664 1.00 0.00 H new ATOM 1265 N GLU A 78 80.280 76.120 32.780 1.00 0.00 N ATOM 1266 CA GLU A 78 80.450 76.980 33.920 1.00 0.00 C ATOM 1267 C GLU A 78 81.640 76.410 34.700 1.00 0.00 C ATOM 1268 O GLU A 78 81.790 75.190 34.790 1.00 0.00 O ATOM 1269 CB GLU A 78 79.190 76.970 34.750 1.00 0.00 C ATOM 1270 CG GLU A 78 79.200 77.930 35.910 1.00 0.00 C ATOM 1271 CD GLU A 78 77.930 77.850 36.740 1.00 0.00 C ATOM 1272 OE1 GLU A 78 77.060 77.060 36.350 1.00 0.00 O ATOM 1273 OE2 GLU A 78 77.850 78.590 37.730 1.00 0.00 O ATOM 0 H GLU A 78 80.009 75.165 33.015 1.00 0.00 H new ATOM 0 HA GLU A 78 80.638 78.016 33.638 1.00 0.00 H new ATOM 0 HB2 GLU A 78 78.343 77.207 34.106 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.028 75.961 35.131 1.00 0.00 H new ATOM 0 HG2 GLU A 78 80.060 77.718 36.546 1.00 0.00 H new ATOM 0 HG3 GLU A 78 79.323 78.946 35.536 1.00 0.00 H new ATOM 1280 N LEU A 79 82.500 77.250 35.250 1.00 0.00 N ATOM 1281 CA LEU A 79 83.740 76.760 35.890 1.00 0.00 C ATOM 1282 C LEU A 79 83.910 77.210 37.360 1.00 0.00 C ATOM 1283 O LEU A 79 83.890 78.390 37.630 1.00 0.00 O ATOM 1284 CB LEU A 79 84.900 77.230 35.030 1.00 0.00 C ATOM 1285 CG LEU A 79 84.860 76.620 33.640 1.00 0.00 C ATOM 1286 CD1 LEU A 79 85.960 77.220 32.830 1.00 0.00 C ATOM 1287 CD2 LEU A 79 85.150 75.140 33.640 1.00 0.00 C ATOM 0 H LEU A 79 82.379 78.262 35.274 1.00 0.00 H new ATOM 0 HA LEU A 79 83.699 75.672 35.947 1.00 0.00 H new ATOM 0 HB2 LEU A 79 84.875 78.317 34.950 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.840 76.967 35.514 1.00 0.00 H new ATOM 0 HG LEU A 79 83.859 76.806 33.250 1.00 0.00 H new ATOM 0 HD11 LEU A 79 85.947 76.794 31.827 1.00 0.00 H new ATOM 0 HD12 LEU A 79 85.819 78.299 32.767 1.00 0.00 H new ATOM 0 HD13 LEU A 79 86.918 77.006 33.303 1.00 0.00 H new ATOM 0 HD21 LEU A 79 85.107 74.761 32.619 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.144 74.964 34.051 1.00 0.00 H new ATOM 0 HD23 LEU A 79 84.409 74.624 34.250 1.00 0.00 H new ATOM 1299 N HIS A 80 84.050 76.310 38.350 1.00 0.00 N ATOM 1300 CA HIS A 80 83.720 76.680 39.740 1.00 0.00 C ATOM 1301 C HIS A 80 84.960 76.780 40.550 1.00 0.00 C ATOM 1302 O HIS A 80 85.690 75.810 40.590 1.00 0.00 O ATOM 1303 CB HIS A 80 82.830 75.640 40.440 1.00 0.00 C ATOM 1304 CG HIS A 80 81.520 75.390 39.790 1.00 0.00 C ATOM 1305 ND1 HIS A 80 80.620 74.460 40.210 1.00 0.00 N ATOM 1306 CD2 HIS A 80 80.990 75.990 38.700 1.00 0.00 C ATOM 1307 CE1 HIS A 80 79.580 74.490 39.370 1.00 0.00 C ATOM 1308 NE2 HIS A 80 79.760 75.450 38.450 1.00 0.00 N ATOM 0 H HIS A 80 84.378 75.353 38.223 1.00 0.00 H new ATOM 0 HA HIS A 80 83.190 77.630 39.675 1.00 0.00 H new ATOM 0 HB2 HIS A 80 83.375 74.698 40.496 1.00 0.00 H new ATOM 0 HB3 HIS A 80 82.653 75.968 41.464 1.00 0.00 H new ATOM 0 HD1 HIS A 80 80.721 73.849 41.021 1.00 0.00 H new ATOM 0 HD2 HIS A 80 81.462 76.770 38.121 1.00 0.00 H new ATOM 0 HE1 HIS A 80 78.721 73.837 39.424 1.00 0.00 H new ATOM 1316 N ILE A 81 85.220 77.930 41.220 1.00 0.00 N ATOM 1317 CA ILE A 81 86.600 78.260 41.550 1.00 0.00 C ATOM 1318 C ILE A 81 87.660 78.080 40.410 1.00 0.00 C ATOM 1319 O ILE A 81 88.460 78.970 40.310 1.00 0.00 O ATOM 1320 CB ILE A 81 86.980 77.490 42.820 1.00 0.00 C ATOM 1321 CG1 ILE A 81 86.210 78.000 44.060 1.00 0.00 C ATOM 1322 CG2 ILE A 81 88.480 77.600 43.080 1.00 0.00 C ATOM 1323 CD1 ILE A 81 86.390 77.090 45.280 1.00 0.00 C ATOM 0 H ILE A 81 84.519 78.606 41.524 1.00 0.00 H new ATOM 0 HA ILE A 81 86.629 79.338 41.710 1.00 0.00 H new ATOM 0 HB ILE A 81 86.707 76.448 42.654 1.00 0.00 H new ATOM 0 HG12 ILE A 81 86.552 79.005 44.307 1.00 0.00 H new ATOM 0 HG13 ILE A 81 85.149 78.074 43.820 1.00 0.00 H new ATOM 0 HG21 ILE A 81 88.734 77.048 43.985 1.00 0.00 H new ATOM 0 HG22 ILE A 81 89.027 77.183 42.235 1.00 0.00 H new ATOM 0 HG23 ILE A 81 88.752 78.648 43.206 1.00 0.00 H new ATOM 0 HD11 ILE A 81 85.828 77.495 46.122 1.00 0.00 H new ATOM 0 HD12 ILE A 81 86.023 76.091 45.046 1.00 0.00 H new ATOM 0 HD13 ILE A 81 87.447 77.036 45.541 1.00 0.00 H new ATOM 1335 N ILE A 82 87.750 77.000 39.590 1.00 0.00 N ATOM 1336 CA ILE A 82 88.750 76.930 38.520 1.00 0.00 C ATOM 1337 C ILE A 82 88.420 77.850 37.340 1.00 0.00 C ATOM 1338 O ILE A 82 89.270 77.980 36.490 1.00 0.00 O ATOM 1339 CB ILE A 82 88.920 75.520 37.960 1.00 0.00 C ATOM 1340 CG1 ILE A 82 87.650 75.020 37.270 1.00 0.00 C ATOM 1341 CG2 ILE A 82 89.290 74.610 39.110 1.00 0.00 C ATOM 1342 CD1 ILE A 82 87.840 73.740 36.470 1.00 0.00 C ATOM 1343 OXT ILE A 82 87.230 78.330 37.320 1.00 0.00 O ATOM 0 H ILE A 82 87.145 76.181 39.657 1.00 0.00 H new ATOM 0 HA ILE A 82 89.674 77.254 38.999 1.00 0.00 H new ATOM 0 HB ILE A 82 89.702 75.526 37.201 1.00 0.00 H new ATOM 0 HG12 ILE A 82 86.881 74.853 38.024 1.00 0.00 H new ATOM 0 HG13 ILE A 82 87.280 75.800 36.605 1.00 0.00 H new ATOM 0 HG21 ILE A 82 89.419 73.592 38.742 1.00 0.00 H new ATOM 0 HG22 ILE A 82 90.221 74.953 39.561 1.00 0.00 H new ATOM 0 HG23 ILE A 82 88.497 74.628 39.858 1.00 0.00 H new ATOM 0 HD11 ILE A 82 86.893 73.453 36.013 1.00 0.00 H new ATOM 0 HD12 ILE A 82 88.584 73.905 35.691 1.00 0.00 H new ATOM 0 HD13 ILE A 82 88.179 72.944 37.133 1.00 0.00 H new