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 34 SER OG : rot -138:sc= -0.246 USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= 0.799 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.7 K(o=-1.7,f=-6.2!) USER MOD Single : A 11 THR OG1 : rot -179:sc= -1.71! USER MOD Single : A 18 SER OG : rot -28:sc= 0.0324 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 0.97 K(o=0.97,f=-3.9!) USER MOD Single : A 29 SER OG : rot -43:sc= 0.421 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 154:sc= -0.803 USER MOD Single : A 41 THR OG1 : rot -53:sc= 0.548 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 44 HIS : no HD1:sc= -0.0575 X(o=-0.058,f=-0.31) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -136:sc= -0.684 (180deg=-1.82) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= -0.738 (180deg=-0.744) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -124:sc= -0.361 (180deg=-2.17!) USER MOD Single : A 59 HIS :FLIP no HE2:sc= -1.47 F(o=-3.1,f=-1.5) USER MOD Single : A 60 THR OG1 : rot 7:sc= 0.881 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -1.84! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -10.6! C(o=-11!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 80.160 66.190 36.640 1.00 0.00 N ATOM 49 CA LYS A 4 80.210 67.540 36.100 1.00 0.00 C ATOM 50 C LYS A 4 78.890 68.130 35.590 1.00 0.00 C ATOM 51 O LYS A 4 78.920 69.250 35.140 1.00 0.00 O ATOM 52 CB LYS A 4 81.260 67.600 34.990 1.00 0.00 C ATOM 53 CG LYS A 4 82.660 67.510 35.590 1.00 0.00 C ATOM 54 CD LYS A 4 83.710 67.580 34.480 1.00 0.00 C ATOM 55 CE LYS A 4 85.120 67.480 35.070 1.00 0.00 C ATOM 56 NZ LYS A 4 86.130 67.530 33.990 1.00 0.00 N ATOM 0 HA LYS A 4 80.469 68.166 36.954 1.00 0.00 H new ATOM 0 HB2 LYS A 4 81.104 66.783 34.286 1.00 0.00 H new ATOM 0 HB3 LYS A 4 81.155 68.528 34.429 1.00 0.00 H new ATOM 0 HG2 LYS A 4 82.814 68.323 36.299 1.00 0.00 H new ATOM 0 HG3 LYS A 4 82.767 66.578 36.145 1.00 0.00 H new ATOM 0 HD2 LYS A 4 83.549 66.771 33.767 1.00 0.00 H new ATOM 0 HD3 LYS A 4 83.605 68.515 33.930 1.00 0.00 H new ATOM 0 HE2 LYS A 4 85.287 68.297 35.772 1.00 0.00 H new ATOM 0 HE3 LYS A 4 85.222 66.551 35.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 87.082 67.461 34.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 85.978 66.736 33.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 86.041 68.428 33.472 1.00 0.00 H new ATOM 70 N LEU A 5 77.800 67.370 35.510 1.00 0.00 N ATOM 71 CA LEU A 5 76.650 67.790 34.710 1.00 0.00 C ATOM 72 C LEU A 5 75.420 68.100 35.550 1.00 0.00 C ATOM 73 O LEU A 5 74.980 67.240 36.330 1.00 0.00 O ATOM 74 CB LEU A 5 76.390 66.710 33.660 1.00 0.00 C ATOM 75 CG LEU A 5 75.120 66.970 32.840 1.00 0.00 C ATOM 76 CD1 LEU A 5 75.300 68.200 31.980 1.00 0.00 C ATOM 77 CD2 LEU A 5 74.850 65.800 31.910 1.00 0.00 C ATOM 0 H LEU A 5 77.688 66.473 35.982 1.00 0.00 H new ATOM 0 HA LEU A 5 76.880 68.735 34.217 1.00 0.00 H new ATOM 0 HB2 LEU A 5 77.245 66.651 32.987 1.00 0.00 H new ATOM 0 HB3 LEU A 5 76.306 65.742 34.154 1.00 0.00 H new ATOM 0 HG LEU A 5 74.292 67.106 33.536 1.00 0.00 H new ATOM 0 HD11 LEU A 5 74.393 68.376 31.402 1.00 0.00 H new ATOM 0 HD12 LEU A 5 75.498 69.063 32.616 1.00 0.00 H new ATOM 0 HD13 LEU A 5 76.139 68.050 31.301 1.00 0.00 H new ATOM 0 HD21 LEU A 5 73.946 65.995 31.333 1.00 0.00 H new ATOM 0 HD22 LEU A 5 75.693 65.672 31.232 1.00 0.00 H new ATOM 0 HD23 LEU A 5 74.716 64.892 32.497 1.00 0.00 H new ATOM 89 N VAL A 6 74.780 69.230 35.290 1.00 0.00 N ATOM 90 CA VAL A 6 73.510 69.530 35.910 1.00 0.00 C ATOM 91 C VAL A 6 72.470 69.330 34.840 1.00 0.00 C ATOM 92 O VAL A 6 72.640 69.740 33.690 1.00 0.00 O ATOM 93 CB VAL A 6 73.470 70.920 36.520 1.00 0.00 C ATOM 94 CG1 VAL A 6 72.110 71.110 37.170 1.00 0.00 C ATOM 95 CG2 VAL A 6 74.570 71.070 37.520 1.00 0.00 C ATOM 0 H VAL A 6 75.123 69.950 34.654 1.00 0.00 H new ATOM 0 HA VAL A 6 73.324 68.870 36.757 1.00 0.00 H new ATOM 0 HB VAL A 6 73.616 71.681 35.753 1.00 0.00 H new ATOM 0 HG11 VAL A 6 72.056 72.103 37.617 1.00 0.00 H new ATOM 0 HG12 VAL A 6 71.329 71.008 36.416 1.00 0.00 H new ATOM 0 HG13 VAL A 6 71.968 70.356 37.944 1.00 0.00 H new ATOM 0 HG21 VAL A 6 74.534 72.070 37.953 1.00 0.00 H new ATOM 0 HG22 VAL A 6 74.448 70.328 38.309 1.00 0.00 H new ATOM 0 HG23 VAL A 6 75.531 70.922 37.028 1.00 0.00 H new ATOM 105 N LEU A 7 71.350 68.700 35.200 1.00 0.00 N ATOM 106 CA LEU A 7 70.230 68.550 34.290 1.00 0.00 C ATOM 107 C LEU A 7 69.140 69.490 34.780 1.00 0.00 C ATOM 108 O LEU A 7 68.870 69.660 35.960 1.00 0.00 O ATOM 109 CB LEU A 7 69.750 67.100 34.270 1.00 0.00 C ATOM 110 CG LEU A 7 70.820 66.090 33.830 1.00 0.00 C ATOM 111 CD1 LEU A 7 70.300 64.660 33.970 1.00 0.00 C ATOM 112 CD2 LEU A 7 71.180 66.300 32.370 1.00 0.00 C ATOM 0 H LEU A 7 71.202 68.287 36.121 1.00 0.00 H new ATOM 0 HA LEU A 7 70.513 68.799 33.267 1.00 0.00 H new ATOM 0 HB2 LEU A 7 69.400 66.831 35.267 1.00 0.00 H new ATOM 0 HB3 LEU A 7 68.894 67.021 33.600 1.00 0.00 H new ATOM 0 HG LEU A 7 71.692 66.242 34.466 1.00 0.00 H new ATOM 0 HD11 LEU A 7 71.073 63.959 33.653 1.00 0.00 H new ATOM 0 HD12 LEU A 7 70.040 64.468 35.011 1.00 0.00 H new ATOM 0 HD13 LEU A 7 69.416 64.532 33.346 1.00 0.00 H new ATOM 0 HD21 LEU A 7 71.939 65.576 32.075 1.00 0.00 H new ATOM 0 HD22 LEU A 7 70.291 66.166 31.753 1.00 0.00 H new ATOM 0 HD23 LEU A 7 71.568 67.309 32.232 1.00 0.00 H new ATOM 124 N ALA A 8 68.470 70.100 33.820 1.00 0.00 N ATOM 125 CA ALA A 8 67.200 70.770 33.950 1.00 0.00 C ATOM 126 C ALA A 8 66.150 69.850 34.520 1.00 0.00 C ATOM 127 O ALA A 8 66.080 68.660 34.190 1.00 0.00 O ATOM 128 CB ALA A 8 66.800 71.360 32.600 1.00 0.00 C ATOM 0 H ALA A 8 68.828 70.140 32.866 1.00 0.00 H new ATOM 0 HA ALA A 8 67.292 71.591 34.661 1.00 0.00 H new ATOM 0 HB1 ALA A 8 65.840 71.867 32.695 1.00 0.00 H new ATOM 0 HB2 ALA A 8 67.557 72.074 32.276 1.00 0.00 H new ATOM 0 HB3 ALA A 8 66.717 70.560 31.864 1.00 0.00 H new ATOM 134 N LYS A 9 65.230 70.380 35.250 1.00 0.00 N ATOM 135 CA LYS A 9 63.990 69.730 35.570 1.00 0.00 C ATOM 136 C LYS A 9 63.160 69.430 34.330 1.00 0.00 C ATOM 137 O LYS A 9 62.750 68.330 34.240 1.00 0.00 O ATOM 138 CB LYS A 9 63.240 70.550 36.580 1.00 0.00 C ATOM 139 CG LYS A 9 62.820 71.900 36.020 1.00 0.00 C ATOM 140 CD LYS A 9 62.070 72.720 37.050 1.00 0.00 C ATOM 141 CE LYS A 9 61.660 74.070 36.460 1.00 0.00 C ATOM 142 NZ LYS A 9 60.970 74.860 37.480 1.00 0.00 N ATOM 0 H LYS A 9 65.316 71.311 35.659 1.00 0.00 H new ATOM 0 HA LYS A 9 64.210 68.758 36.012 1.00 0.00 H new ATOM 0 HB2 LYS A 9 62.356 70.002 36.907 1.00 0.00 H new ATOM 0 HB3 LYS A 9 63.865 70.701 37.460 1.00 0.00 H new ATOM 0 HG2 LYS A 9 63.702 72.448 35.689 1.00 0.00 H new ATOM 0 HG3 LYS A 9 62.190 71.751 35.143 1.00 0.00 H new ATOM 0 HD2 LYS A 9 61.185 72.177 37.382 1.00 0.00 H new ATOM 0 HD3 LYS A 9 62.697 72.875 37.928 1.00 0.00 H new ATOM 0 HE2 LYS A 9 62.540 74.606 36.104 1.00 0.00 H new ATOM 0 HE3 LYS A 9 61.009 73.920 35.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 60.691 75.778 37.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 60.122 74.350 37.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 61.606 75.014 38.288 1.00 0.00 H new ATOM 156 N ASN A 10 62.940 70.360 33.390 1.00 0.00 N ATOM 157 CA ASN A 10 61.720 70.400 32.580 1.00 0.00 C ATOM 158 C ASN A 10 61.640 69.290 31.550 1.00 0.00 C ATOM 159 O ASN A 10 60.590 68.680 31.410 1.00 0.00 O ATOM 160 CB ASN A 10 61.640 71.740 31.860 1.00 0.00 C ATOM 161 CG ASN A 10 61.180 72.830 32.820 1.00 0.00 C ATOM 162 OD1 ASN A 10 60.540 72.590 33.830 1.00 0.00 O ATOM 163 ND2 ASN A 10 61.380 74.070 32.460 1.00 0.00 N ATOM 0 H ASN A 10 63.603 71.104 33.172 1.00 0.00 H new ATOM 0 HA ASN A 10 60.885 70.262 33.267 1.00 0.00 H new ATOM 0 HB2 ASN A 10 62.615 71.997 31.447 1.00 0.00 H new ATOM 0 HB3 ASN A 10 60.948 71.669 31.021 1.00 0.00 H new ATOM 0 HD21 ASN A 10 61.002 74.832 33.023 1.00 0.00 H new ATOM 0 HD22 ASN A 10 61.915 74.276 31.616 1.00 0.00 H new ATOM 170 N THR A 11 62.750 69.040 30.910 1.00 0.00 N ATOM 171 CA THR A 11 62.860 67.960 29.940 1.00 0.00 C ATOM 172 C THR A 11 62.830 66.610 30.610 1.00 0.00 C ATOM 173 O THR A 11 62.130 65.700 30.120 1.00 0.00 O ATOM 174 CB THR A 11 64.170 68.120 29.190 1.00 0.00 C ATOM 175 OG1 THR A 11 64.070 69.320 28.470 1.00 0.00 O ATOM 176 CG2 THR A 11 64.380 66.980 28.220 1.00 0.00 C ATOM 0 H THR A 11 63.610 69.574 31.039 1.00 0.00 H new ATOM 0 HA THR A 11 62.011 68.013 29.258 1.00 0.00 H new ATOM 0 HB THR A 11 65.008 68.125 29.887 1.00 0.00 H new ATOM 0 HG1 THR A 11 64.891 69.462 27.955 1.00 0.00 H new ATOM 0 HG21 THR A 11 65.325 67.118 27.695 1.00 0.00 H new ATOM 0 HG22 THR A 11 64.403 66.037 28.766 1.00 0.00 H new ATOM 0 HG23 THR A 11 63.564 66.962 27.498 1.00 0.00 H new ATOM 285 N SER A 18 66.650 71.290 40.690 1.00 0.00 N ATOM 286 CA SER A 18 67.310 72.220 41.710 1.00 0.00 C ATOM 287 C SER A 18 68.760 71.860 41.960 1.00 0.00 C ATOM 288 O SER A 18 69.370 72.450 42.890 1.00 0.00 O ATOM 289 CB SER A 18 66.470 72.360 42.950 1.00 0.00 C ATOM 290 OG SER A 18 66.380 71.160 43.600 1.00 0.00 O ATOM 0 HA SER A 18 67.353 73.221 41.281 1.00 0.00 H new ATOM 0 HB2 SER A 18 66.908 73.108 43.611 1.00 0.00 H new ATOM 0 HB3 SER A 18 65.474 72.713 42.685 1.00 0.00 H new ATOM 0 HG SER A 18 66.468 70.430 42.952 1.00 0.00 H new ATOM 296 N VAL A 19 69.310 71.000 41.140 1.00 0.00 N ATOM 297 CA VAL A 19 70.600 70.370 41.410 1.00 0.00 C ATOM 298 C VAL A 19 71.730 71.370 41.300 1.00 0.00 C ATOM 299 O VAL A 19 72.640 71.330 42.110 1.00 0.00 O ATOM 300 CB VAL A 19 70.860 69.200 40.470 1.00 0.00 C ATOM 301 CG1 VAL A 19 72.280 68.700 40.580 1.00 0.00 C ATOM 302 CG2 VAL A 19 69.920 68.040 40.800 1.00 0.00 C ATOM 0 H VAL A 19 68.883 70.709 40.261 1.00 0.00 H new ATOM 0 HA VAL A 19 70.560 69.992 42.431 1.00 0.00 H new ATOM 0 HB VAL A 19 70.686 69.560 39.456 1.00 0.00 H new ATOM 0 HG11 VAL A 19 72.426 67.865 39.894 1.00 0.00 H new ATOM 0 HG12 VAL A 19 72.970 69.504 40.325 1.00 0.00 H new ATOM 0 HG13 VAL A 19 72.471 68.368 41.601 1.00 0.00 H new ATOM 0 HG21 VAL A 19 70.115 67.209 40.122 1.00 0.00 H new ATOM 0 HG22 VAL A 19 70.088 67.717 41.827 1.00 0.00 H new ATOM 0 HG23 VAL A 19 68.886 68.366 40.687 1.00 0.00 H new ATOM 312 N GLU A 20 71.600 72.340 40.400 1.00 0.00 N ATOM 313 CA GLU A 20 72.640 73.310 40.180 1.00 0.00 C ATOM 314 C GLU A 20 72.810 74.110 41.440 1.00 0.00 C ATOM 315 O GLU A 20 73.900 74.220 41.940 1.00 0.00 O ATOM 316 CB GLU A 20 72.300 74.250 39.040 1.00 0.00 C ATOM 317 CG GLU A 20 73.340 75.280 38.730 1.00 0.00 C ATOM 318 CD GLU A 20 74.640 74.680 38.230 1.00 0.00 C ATOM 319 OE1 GLU A 20 74.680 73.620 38.130 1.00 0.00 O ATOM 320 OE2 GLU A 20 75.640 75.460 37.810 1.00 0.00 O ATOM 0 H GLU A 20 70.775 72.466 39.813 1.00 0.00 H new ATOM 0 HA GLU A 20 73.557 72.784 39.916 1.00 0.00 H new ATOM 0 HB2 GLU A 20 72.120 73.657 38.143 1.00 0.00 H new ATOM 0 HB3 GLU A 20 71.366 74.760 39.277 1.00 0.00 H new ATOM 0 HG2 GLU A 20 72.950 75.966 37.978 1.00 0.00 H new ATOM 0 HG3 GLU A 20 73.539 75.868 39.626 1.00 0.00 H new ATOM 327 N LEU A 21 71.730 74.590 42.060 1.00 0.00 N ATOM 328 CA LEU A 21 71.910 75.510 43.160 1.00 0.00 C ATOM 329 C LEU A 21 72.710 74.840 44.220 1.00 0.00 C ATOM 330 O LEU A 21 73.630 75.410 44.700 1.00 0.00 O ATOM 331 CB LEU A 21 70.580 76.000 43.730 1.00 0.00 C ATOM 332 CG LEU A 21 69.800 76.840 42.730 1.00 0.00 C ATOM 333 CD1 LEU A 21 68.460 77.250 43.330 1.00 0.00 C ATOM 334 CD2 LEU A 21 70.570 78.100 42.360 1.00 0.00 C ATOM 0 H LEU A 21 70.764 74.363 41.825 1.00 0.00 H new ATOM 0 HA LEU A 21 72.435 76.390 42.787 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.977 75.143 44.030 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.767 76.588 44.628 1.00 0.00 H new ATOM 0 HG LEU A 21 69.645 76.237 41.835 1.00 0.00 H new ATOM 0 HD11 LEU A 21 67.907 77.851 42.608 1.00 0.00 H new ATOM 0 HD12 LEU A 21 67.884 76.358 43.577 1.00 0.00 H new ATOM 0 HD13 LEU A 21 68.630 77.834 44.234 1.00 0.00 H new ATOM 0 HD21 LEU A 21 69.991 78.683 41.644 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.745 78.696 43.256 1.00 0.00 H new ATOM 0 HD23 LEU A 21 71.526 77.825 41.915 1.00 0.00 H new ATOM 346 N GLU A 22 72.330 73.620 44.550 1.00 0.00 N ATOM 347 CA GLU A 22 73.010 72.790 45.510 1.00 0.00 C ATOM 348 C GLU A 22 74.400 72.350 45.140 1.00 0.00 C ATOM 349 O GLU A 22 75.240 72.450 46.070 1.00 0.00 O ATOM 350 CB GLU A 22 72.170 71.560 45.730 1.00 0.00 C ATOM 351 CG GLU A 22 72.730 70.700 46.850 1.00 0.00 C ATOM 352 CD GLU A 22 71.780 69.560 47.120 1.00 0.00 C ATOM 353 OE1 GLU A 22 70.620 69.760 46.610 1.00 0.00 O ATOM 354 OE2 GLU A 22 72.180 68.620 47.760 1.00 0.00 O ATOM 0 H GLU A 22 71.511 73.170 44.140 1.00 0.00 H new ATOM 0 HA GLU A 22 73.133 73.408 46.399 1.00 0.00 H new ATOM 0 HB2 GLU A 22 71.148 71.854 45.971 1.00 0.00 H new ATOM 0 HB3 GLU A 22 72.126 70.978 44.809 1.00 0.00 H new ATOM 0 HG2 GLU A 22 73.711 70.314 46.573 1.00 0.00 H new ATOM 0 HG3 GLU A 22 72.865 71.298 47.751 1.00 0.00 H new ATOM 361 N ASP A 23 74.660 72.010 43.920 1.00 0.00 N ATOM 362 CA ASP A 23 75.990 71.620 43.490 1.00 0.00 C ATOM 363 C ASP A 23 76.830 72.830 43.570 1.00 0.00 C ATOM 364 O ASP A 23 77.950 72.680 44.010 1.00 0.00 O ATOM 365 CB ASP A 23 76.050 71.100 42.030 1.00 0.00 C ATOM 366 CG ASP A 23 75.400 69.730 42.200 1.00 0.00 C ATOM 367 OD1 ASP A 23 75.040 69.230 42.990 1.00 0.00 O ATOM 368 OD2 ASP A 23 75.270 69.220 40.790 1.00 0.00 O ATOM 0 H ASP A 23 73.960 71.990 43.178 1.00 0.00 H new ATOM 0 HA ASP A 23 76.324 70.803 44.130 1.00 0.00 H new ATOM 0 HB2 ASP A 23 75.499 71.738 41.339 1.00 0.00 H new ATOM 0 HB3 ASP A 23 77.071 71.031 41.655 1.00 0.00 H new ATOM 373 N LEU A 24 76.320 74.020 43.300 1.00 0.00 N ATOM 374 CA LEU A 24 77.120 75.220 43.340 1.00 0.00 C ATOM 375 C LEU A 24 77.850 75.210 44.670 1.00 0.00 C ATOM 376 O LEU A 24 79.010 74.970 44.600 1.00 0.00 O ATOM 377 CB LEU A 24 76.320 76.500 43.140 1.00 0.00 C ATOM 378 CG LEU A 24 76.290 76.980 41.710 1.00 0.00 C ATOM 379 CD1 LEU A 24 75.660 75.960 40.870 1.00 0.00 C ATOM 380 CD2 LEU A 24 75.480 78.270 41.560 1.00 0.00 C ATOM 0 H LEU A 24 75.344 74.175 43.049 1.00 0.00 H new ATOM 0 HA LEU A 24 77.818 75.217 42.503 1.00 0.00 H new ATOM 0 HB2 LEU A 24 75.298 76.336 43.480 1.00 0.00 H new ATOM 0 HB3 LEU A 24 76.743 77.284 43.768 1.00 0.00 H new ATOM 0 HG LEU A 24 77.320 77.169 41.407 1.00 0.00 H new ATOM 0 HD11 LEU A 24 75.637 76.304 39.836 1.00 0.00 H new ATOM 0 HD12 LEU A 24 76.232 75.034 40.932 1.00 0.00 H new ATOM 0 HD13 LEU A 24 74.642 75.782 41.216 1.00 0.00 H new ATOM 0 HD21 LEU A 24 75.483 78.582 40.516 1.00 0.00 H new ATOM 0 HD22 LEU A 24 74.454 78.095 41.883 1.00 0.00 H new ATOM 0 HD23 LEU A 24 75.925 79.053 42.174 1.00 0.00 H new ATOM 392 N TYR A 25 77.030 75.320 45.780 1.00 0.00 N ATOM 393 CA TYR A 25 77.520 75.400 47.170 1.00 0.00 C ATOM 394 C TYR A 25 78.400 74.210 47.490 1.00 0.00 C ATOM 395 O TYR A 25 79.490 74.350 48.090 1.00 0.00 O ATOM 396 CB TYR A 25 76.420 75.510 48.200 1.00 0.00 C ATOM 397 CG TYR A 25 76.860 75.640 49.600 1.00 0.00 C ATOM 398 CD1 TYR A 25 77.210 76.880 50.150 1.00 0.00 C ATOM 399 CD2 TYR A 25 76.970 74.480 50.390 1.00 0.00 C ATOM 400 CE1 TYR A 25 77.650 77.040 51.390 1.00 0.00 C ATOM 401 CE2 TYR A 25 77.560 74.580 51.580 1.00 0.00 C ATOM 402 CZ TYR A 25 77.790 75.850 52.160 1.00 0.00 C ATOM 403 OH TYR A 25 78.040 76.010 53.300 1.00 0.00 O ATOM 0 H TYR A 25 76.013 75.354 45.711 1.00 0.00 H new ATOM 0 HA TYR A 25 78.096 76.323 47.229 1.00 0.00 H new ATOM 0 HB2 TYR A 25 75.802 76.373 47.952 1.00 0.00 H new ATOM 0 HB3 TYR A 25 75.784 74.628 48.120 1.00 0.00 H new ATOM 0 HD1 TYR A 25 77.116 77.757 49.527 1.00 0.00 H new ATOM 0 HD2 TYR A 25 76.586 73.533 50.040 1.00 0.00 H new ATOM 0 HE1 TYR A 25 77.888 78.014 51.792 1.00 0.00 H new ATOM 0 HE2 TYR A 25 77.865 73.687 52.105 1.00 0.00 H new ATOM 0 HH TYR A 25 78.115 75.139 53.744 1.00 0.00 H new ATOM 413 N HIS A 26 77.930 73.020 47.200 1.00 0.00 N ATOM 414 CA HIS A 26 78.610 71.860 47.720 1.00 0.00 C ATOM 415 C HIS A 26 79.800 71.440 46.880 1.00 0.00 C ATOM 416 O HIS A 26 80.800 71.040 47.480 1.00 0.00 O ATOM 417 CB HIS A 26 77.660 70.690 47.830 1.00 0.00 C ATOM 418 CG HIS A 26 76.600 70.940 48.870 1.00 0.00 C ATOM 419 ND1 HIS A 26 75.530 71.730 48.700 1.00 0.00 N ATOM 420 CD2 HIS A 26 76.530 70.430 50.120 1.00 0.00 C ATOM 421 CE1 HIS A 26 74.830 71.650 49.850 1.00 0.00 C ATOM 422 NE2 HIS A 26 75.410 70.910 50.760 1.00 0.00 N ATOM 0 H HIS A 26 77.108 72.832 46.627 1.00 0.00 H new ATOM 0 HA HIS A 26 78.979 72.148 48.704 1.00 0.00 H new ATOM 0 HB2 HIS A 26 77.189 70.510 46.864 1.00 0.00 H new ATOM 0 HB3 HIS A 26 78.218 69.789 48.086 1.00 0.00 H new ATOM 0 HD1 HIS A 26 75.294 72.278 47.873 1.00 0.00 H new ATOM 0 HD2 HIS A 26 77.247 69.747 50.552 1.00 0.00 H new ATOM 0 HE1 HIS A 26 73.884 72.148 50.005 1.00 0.00 H new ATOM 430 N GLU A 27 79.750 71.560 45.580 1.00 0.00 N ATOM 431 CA GLU A 27 80.850 71.240 44.690 1.00 0.00 C ATOM 432 C GLU A 27 81.950 72.190 45.030 1.00 0.00 C ATOM 433 O GLU A 27 83.070 71.730 45.210 1.00 0.00 O ATOM 434 CB GLU A 27 80.540 71.390 43.200 1.00 0.00 C ATOM 435 CG GLU A 27 79.480 70.380 42.750 1.00 0.00 C ATOM 436 CD GLU A 27 80.010 68.970 42.860 1.00 0.00 C ATOM 437 OE1 GLU A 27 81.250 68.840 42.950 1.00 0.00 O ATOM 438 OE2 GLU A 27 79.240 68.000 42.750 1.00 0.00 O ATOM 0 H GLU A 27 78.920 71.893 45.090 1.00 0.00 H new ATOM 0 HA GLU A 27 81.097 70.188 44.836 1.00 0.00 H new ATOM 0 HB2 GLU A 27 80.190 72.402 42.999 1.00 0.00 H new ATOM 0 HB3 GLU A 27 81.452 71.247 42.620 1.00 0.00 H new ATOM 0 HG2 GLU A 27 78.585 70.487 43.363 1.00 0.00 H new ATOM 0 HG3 GLU A 27 79.188 70.585 41.720 1.00 0.00 H new ATOM 445 N PHE A 28 81.630 73.430 45.320 1.00 0.00 N ATOM 446 CA PHE A 28 82.640 74.360 45.770 1.00 0.00 C ATOM 447 C PHE A 28 83.400 73.850 46.940 1.00 0.00 C ATOM 448 O PHE A 28 84.630 73.860 46.880 1.00 0.00 O ATOM 449 CB PHE A 28 81.990 75.610 46.190 1.00 0.00 C ATOM 450 CG PHE A 28 82.830 76.660 46.820 1.00 0.00 C ATOM 451 CD1 PHE A 28 83.060 76.650 48.210 1.00 0.00 C ATOM 452 CD2 PHE A 28 83.420 77.620 46.010 1.00 0.00 C ATOM 453 CE1 PHE A 28 83.930 77.580 48.780 1.00 0.00 C ATOM 454 CE2 PHE A 28 84.260 78.570 46.600 1.00 0.00 C ATOM 455 CZ PHE A 28 84.540 78.540 47.970 1.00 0.00 C ATOM 0 H PHE A 28 80.688 73.816 45.253 1.00 0.00 H new ATOM 0 HA PHE A 28 83.328 74.509 44.938 1.00 0.00 H new ATOM 0 HB2 PHE A 28 81.512 76.047 45.314 1.00 0.00 H new ATOM 0 HB3 PHE A 28 81.196 75.353 46.891 1.00 0.00 H new ATOM 0 HD1 PHE A 28 82.563 75.922 48.834 1.00 0.00 H new ATOM 0 HD2 PHE A 28 83.234 77.633 44.946 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.130 77.558 49.841 1.00 0.00 H new ATOM 0 HE2 PHE A 28 84.701 79.341 45.986 1.00 0.00 H new ATOM 0 HZ PHE A 28 85.225 79.256 48.399 1.00 0.00 H new ATOM 465 N SER A 29 82.670 73.590 48.020 1.00 0.00 N ATOM 466 CA SER A 29 83.280 73.290 49.290 1.00 0.00 C ATOM 467 C SER A 29 84.040 72.010 49.110 1.00 0.00 C ATOM 468 O SER A 29 85.150 71.900 49.680 1.00 0.00 O ATOM 469 CB SER A 29 82.230 73.120 50.400 1.00 0.00 C ATOM 470 OG SER A 29 81.500 71.930 50.230 1.00 0.00 O ATOM 0 H SER A 29 81.650 73.584 48.030 1.00 0.00 H new ATOM 0 HA SER A 29 83.931 74.110 49.593 1.00 0.00 H new ATOM 0 HB2 SER A 29 82.723 73.112 51.372 1.00 0.00 H new ATOM 0 HB3 SER A 29 81.549 73.971 50.394 1.00 0.00 H new ATOM 0 HG SER A 29 81.265 71.823 49.285 1.00 0.00 H new ATOM 476 N GLU A 30 83.500 71.030 48.420 1.00 0.00 N ATOM 477 CA GLU A 30 84.070 69.690 48.390 1.00 0.00 C ATOM 478 C GLU A 30 85.290 69.590 47.510 1.00 0.00 C ATOM 479 O GLU A 30 86.270 68.880 47.920 1.00 0.00 O ATOM 480 CB GLU A 30 83.040 68.710 47.850 1.00 0.00 C ATOM 481 CG GLU A 30 81.930 68.510 48.850 1.00 0.00 C ATOM 482 CD GLU A 30 80.880 67.530 48.420 1.00 0.00 C ATOM 483 OE1 GLU A 30 81.070 66.920 47.360 1.00 0.00 O ATOM 484 OE2 GLU A 30 80.010 67.210 49.280 1.00 0.00 O ATOM 0 H GLU A 30 82.653 71.134 47.862 1.00 0.00 H new ATOM 0 HA GLU A 30 84.359 69.456 49.415 1.00 0.00 H new ATOM 0 HB2 GLU A 30 82.630 69.084 46.912 1.00 0.00 H new ATOM 0 HB3 GLU A 30 83.517 67.755 47.631 1.00 0.00 H new ATOM 0 HG2 GLU A 30 82.362 68.172 49.792 1.00 0.00 H new ATOM 0 HG3 GLU A 30 81.455 69.471 49.045 1.00 0.00 H new ATOM 491 N ASP A 31 85.280 70.240 46.400 1.00 0.00 N ATOM 492 CA ASP A 31 86.310 70.180 45.360 1.00 0.00 C ATOM 493 C ASP A 31 86.360 71.460 44.530 1.00 0.00 C ATOM 494 O ASP A 31 85.480 72.290 44.630 1.00 0.00 O ATOM 495 CB ASP A 31 86.110 68.990 44.490 1.00 0.00 C ATOM 496 CG ASP A 31 84.880 68.780 43.650 1.00 0.00 C ATOM 497 OD1 ASP A 31 84.270 70.080 43.310 1.00 0.00 O ATOM 498 OD2 ASP A 31 84.630 67.910 43.200 1.00 0.00 O ATOM 0 H ASP A 31 84.518 70.872 46.155 1.00 0.00 H new ATOM 0 HA ASP A 31 87.273 70.085 45.861 1.00 0.00 H new ATOM 0 HB2 ASP A 31 86.958 68.962 43.806 1.00 0.00 H new ATOM 0 HB3 ASP A 31 86.194 68.117 45.138 1.00 0.00 H new ATOM 503 N LYS A 32 87.370 71.690 43.670 1.00 0.00 N ATOM 504 CA LYS A 32 87.240 72.870 42.780 1.00 0.00 C ATOM 505 C LYS A 32 87.220 72.580 41.270 1.00 0.00 C ATOM 506 O LYS A 32 88.040 71.830 40.800 1.00 0.00 O ATOM 507 CB LYS A 32 88.240 73.900 43.210 1.00 0.00 C ATOM 508 CG LYS A 32 87.940 74.450 44.590 1.00 0.00 C ATOM 509 CD LYS A 32 89.030 75.420 45.050 1.00 0.00 C ATOM 510 CE LYS A 32 88.700 76.070 46.390 1.00 0.00 C ATOM 511 NZ LYS A 32 89.740 77.070 46.730 1.00 0.00 N ATOM 0 H LYS A 32 88.218 71.132 43.569 1.00 0.00 H new ATOM 0 HA LYS A 32 86.235 73.272 42.909 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.237 73.460 43.205 1.00 0.00 H new ATOM 0 HB3 LYS A 32 88.249 74.718 42.489 1.00 0.00 H new ATOM 0 HG2 LYS A 32 86.977 74.960 44.579 1.00 0.00 H new ATOM 0 HG3 LYS A 32 87.857 73.628 45.301 1.00 0.00 H new ATOM 0 HD2 LYS A 32 89.977 74.887 45.131 1.00 0.00 H new ATOM 0 HD3 LYS A 32 89.165 76.196 44.296 1.00 0.00 H new ATOM 0 HE2 LYS A 32 87.723 76.550 46.341 1.00 0.00 H new ATOM 0 HE3 LYS A 32 88.644 75.310 47.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 89.512 77.511 47.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 90.666 76.600 46.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 89.773 77.801 45.991 1.00 0.00 H new ATOM 525 N ARG A 33 86.210 72.990 40.490 1.00 0.00 N ATOM 526 CA ARG A 33 85.730 72.060 39.450 1.00 0.00 C ATOM 527 C ARG A 33 84.630 72.670 38.560 1.00 0.00 C ATOM 528 O ARG A 33 84.140 73.790 38.820 1.00 0.00 O ATOM 529 CB ARG A 33 85.340 70.710 40.130 1.00 0.00 C ATOM 530 CG ARG A 33 85.200 69.590 39.140 1.00 0.00 C ATOM 531 CD ARG A 33 84.670 68.360 39.850 1.00 0.00 C ATOM 532 NE ARG A 33 83.220 68.430 40.040 1.00 0.00 N ATOM 533 CZ ARG A 33 82.540 67.560 40.790 1.00 0.00 C ATOM 534 NH1 ARG A 33 83.130 66.590 41.340 1.00 0.00 N ATOM 535 NH2 ARG A 33 81.260 67.520 40.720 1.00 0.00 N ATOM 0 H ARG A 33 85.736 73.891 40.546 1.00 0.00 H new ATOM 0 HA ARG A 33 86.533 71.857 38.742 1.00 0.00 H new ATOM 0 HB2 ARG A 33 86.097 70.446 40.868 1.00 0.00 H new ATOM 0 HB3 ARG A 33 84.400 70.835 40.668 1.00 0.00 H new ATOM 0 HG2 ARG A 33 84.523 69.881 38.337 1.00 0.00 H new ATOM 0 HG3 ARG A 33 86.164 69.372 38.681 1.00 0.00 H new ATOM 0 HD2 ARG A 33 84.919 67.470 39.272 1.00 0.00 H new ATOM 0 HD3 ARG A 33 85.160 68.259 40.818 1.00 0.00 H new ATOM 0 HE ARG A 33 82.705 69.179 39.577 1.00 0.00 H new ATOM 0 HH11 ARG A 33 84.134 66.466 41.213 1.00 0.00 H new ATOM 0 HH12 ARG A 33 82.603 65.930 41.911 1.00 0.00 H new ATOM 0 HH21 ARG A 33 80.764 68.152 40.092 1.00 0.00 H new ATOM 0 HH22 ARG A 33 80.738 66.856 41.292 1.00 0.00 H new ATOM 549 N SER A 34 84.290 72.100 37.440 1.00 0.00 N ATOM 550 CA SER A 34 83.830 72.910 36.330 1.00 0.00 C ATOM 551 C SER A 34 82.980 72.060 35.440 1.00 0.00 C ATOM 552 O SER A 34 83.290 70.880 35.190 1.00 0.00 O ATOM 553 CB SER A 34 85.030 73.440 35.580 1.00 0.00 C ATOM 554 OG SER A 34 84.540 74.150 34.500 1.00 0.00 O ATOM 0 H SER A 34 84.318 71.096 37.264 1.00 0.00 H new ATOM 0 HA SER A 34 83.239 73.755 36.684 1.00 0.00 H new ATOM 0 HB2 SER A 34 85.636 74.080 36.221 1.00 0.00 H new ATOM 0 HB3 SER A 34 85.671 72.623 35.248 1.00 0.00 H new ATOM 0 HG SER A 34 85.077 73.949 33.705 1.00 0.00 H new ATOM 560 N ILE A 35 81.870 72.640 35.010 1.00 0.00 N ATOM 561 CA ILE A 35 80.570 71.980 34.990 1.00 0.00 C ATOM 562 C ILE A 35 79.840 72.380 33.710 1.00 0.00 C ATOM 563 O ILE A 35 80.070 73.440 33.140 1.00 0.00 O ATOM 564 CB ILE A 35 79.750 72.330 36.260 1.00 0.00 C ATOM 565 CG1 ILE A 35 80.410 71.750 37.510 1.00 0.00 C ATOM 566 CG2 ILE A 35 78.310 71.790 36.210 1.00 0.00 C ATOM 567 CD1 ILE A 35 79.760 72.270 38.810 1.00 0.00 C ATOM 0 H ILE A 35 81.845 73.597 34.659 1.00 0.00 H new ATOM 0 HA ILE A 35 80.702 70.898 34.997 1.00 0.00 H new ATOM 0 HB ILE A 35 79.722 73.419 36.297 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.343 70.662 37.482 1.00 0.00 H new ATOM 0 HG13 ILE A 35 81.470 72.004 37.510 1.00 0.00 H new ATOM 0 HG21 ILE A 35 77.786 72.066 37.125 1.00 0.00 H new ATOM 0 HG22 ILE A 35 77.791 72.217 35.352 1.00 0.00 H new ATOM 0 HG23 ILE A 35 78.332 70.704 36.118 1.00 0.00 H new ATOM 0 HD11 ILE A 35 80.264 71.829 39.670 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.851 73.355 38.853 1.00 0.00 H new ATOM 0 HD13 ILE A 35 78.706 71.993 38.826 1.00 0.00 H new ATOM 579 N PHE A 36 78.970 71.510 33.190 1.00 0.00 N ATOM 580 CA PHE A 36 78.090 71.810 32.080 1.00 0.00 C ATOM 581 C PHE A 36 76.680 71.790 32.620 1.00 0.00 C ATOM 582 O PHE A 36 76.320 70.900 33.380 1.00 0.00 O ATOM 583 CB PHE A 36 78.270 70.740 31.020 1.00 0.00 C ATOM 584 CG PHE A 36 79.600 70.800 30.340 1.00 0.00 C ATOM 585 CD1 PHE A 36 80.710 70.220 30.950 1.00 0.00 C ATOM 586 CD2 PHE A 36 79.740 71.460 29.110 1.00 0.00 C ATOM 587 CE1 PHE A 36 81.960 70.290 30.350 1.00 0.00 C ATOM 588 CE2 PHE A 36 81.000 71.540 28.500 1.00 0.00 C ATOM 589 CZ PHE A 36 82.100 70.940 29.120 1.00 0.00 C ATOM 0 H PHE A 36 78.863 70.559 33.544 1.00 0.00 H new ATOM 0 HA PHE A 36 78.307 72.781 31.634 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.148 69.759 31.479 1.00 0.00 H new ATOM 0 HB3 PHE A 36 77.483 70.842 30.273 1.00 0.00 H new ATOM 0 HD1 PHE A 36 80.597 69.712 31.897 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.879 71.906 28.634 1.00 0.00 H new ATOM 0 HE1 PHE A 36 82.819 69.845 30.830 1.00 0.00 H new ATOM 0 HE2 PHE A 36 81.119 72.060 27.561 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.069 70.979 28.644 1.00 0.00 H new ATOM 599 N TYR A 37 75.880 72.760 32.230 1.00 0.00 N ATOM 600 CA TYR A 37 74.490 72.780 32.590 1.00 0.00 C ATOM 601 C TYR A 37 73.730 72.440 31.320 1.00 0.00 C ATOM 602 O TYR A 37 73.900 73.130 30.330 1.00 0.00 O ATOM 603 CB TYR A 37 74.040 74.120 33.150 1.00 0.00 C ATOM 604 CG TYR A 37 72.580 74.150 33.550 1.00 0.00 C ATOM 605 CD1 TYR A 37 71.990 73.020 34.150 1.00 0.00 C ATOM 606 CD2 TYR A 37 71.780 75.260 33.310 1.00 0.00 C ATOM 607 CE1 TYR A 37 70.650 73.000 34.530 1.00 0.00 C ATOM 608 CE2 TYR A 37 70.430 75.260 33.700 1.00 0.00 C ATOM 609 CZ TYR A 37 69.870 74.140 34.330 1.00 0.00 C ATOM 610 OH TYR A 37 68.560 74.130 34.660 1.00 0.00 O ATOM 0 H TYR A 37 76.179 73.550 31.658 1.00 0.00 H new ATOM 0 HA TYR A 37 74.299 72.064 33.390 1.00 0.00 H new ATOM 0 HB2 TYR A 37 74.651 74.365 34.019 1.00 0.00 H new ATOM 0 HB3 TYR A 37 74.220 74.895 32.405 1.00 0.00 H new ATOM 0 HD1 TYR A 37 72.595 72.142 34.321 1.00 0.00 H new ATOM 0 HD2 TYR A 37 72.198 76.128 32.821 1.00 0.00 H new ATOM 0 HE1 TYR A 37 70.220 72.114 34.974 1.00 0.00 H new ATOM 0 HE2 TYR A 37 69.819 76.130 33.513 1.00 0.00 H new ATOM 0 HH TYR A 37 68.264 75.044 34.851 1.00 0.00 H new ATOM 620 N PHE A 38 72.920 71.410 31.400 1.00 0.00 N ATOM 621 CA PHE A 38 72.030 70.890 30.370 1.00 0.00 C ATOM 622 C PHE A 38 70.580 71.210 30.710 1.00 0.00 C ATOM 623 O PHE A 38 69.890 70.580 31.500 1.00 0.00 O ATOM 624 CB PHE A 38 72.210 69.380 30.290 1.00 0.00 C ATOM 625 CG PHE A 38 71.250 68.720 29.330 1.00 0.00 C ATOM 626 CD1 PHE A 38 69.960 68.350 29.730 1.00 0.00 C ATOM 627 CD2 PHE A 38 71.630 68.500 28.020 1.00 0.00 C ATOM 628 CE1 PHE A 38 69.070 67.800 28.810 1.00 0.00 C ATOM 629 CE2 PHE A 38 70.770 67.910 27.090 1.00 0.00 C ATOM 630 CZ PHE A 38 69.480 67.560 27.490 1.00 0.00 C ATOM 0 H PHE A 38 72.856 70.863 32.258 1.00 0.00 H new ATOM 0 HA PHE A 38 72.273 71.353 29.414 1.00 0.00 H new ATOM 0 HB2 PHE A 38 73.232 69.158 29.983 1.00 0.00 H new ATOM 0 HB3 PHE A 38 72.075 68.951 31.283 1.00 0.00 H new ATOM 0 HD1 PHE A 38 69.654 68.492 30.756 1.00 0.00 H new ATOM 0 HD2 PHE A 38 72.621 68.793 27.706 1.00 0.00 H new ATOM 0 HE1 PHE A 38 68.062 67.558 29.114 1.00 0.00 H new ATOM 0 HE2 PHE A 38 71.099 67.728 26.078 1.00 0.00 H new ATOM 0 HZ PHE A 38 68.799 67.106 26.786 1.00 0.00 H new ATOM 640 N ALA A 39 70.100 72.290 30.090 1.00 0.00 N ATOM 641 CA ALA A 39 68.780 72.850 30.230 1.00 0.00 C ATOM 642 C ALA A 39 68.160 73.340 28.930 1.00 0.00 C ATOM 643 O ALA A 39 68.890 73.750 28.040 1.00 0.00 O ATOM 644 CB ALA A 39 68.820 73.980 31.240 1.00 0.00 C ATOM 0 H ALA A 39 70.673 72.823 29.435 1.00 0.00 H new ATOM 0 HA ALA A 39 68.139 72.037 30.572 1.00 0.00 H new ATOM 0 HB1 ALA A 39 67.823 74.406 31.349 1.00 0.00 H new ATOM 0 HB2 ALA A 39 69.157 73.596 32.203 1.00 0.00 H new ATOM 0 HB3 ALA A 39 69.509 74.751 30.896 1.00 0.00 H new ATOM 650 N PRO A 40 66.830 73.290 28.820 1.00 0.00 N ATOM 651 CA PRO A 40 66.310 72.470 27.740 1.00 0.00 C ATOM 652 C PRO A 40 66.430 73.050 26.340 1.00 0.00 C ATOM 653 O PRO A 40 66.210 74.270 26.210 1.00 0.00 O ATOM 654 CB PRO A 40 64.860 72.250 28.120 1.00 0.00 C ATOM 655 CG PRO A 40 64.470 73.450 28.970 1.00 0.00 C ATOM 656 CD PRO A 40 65.750 73.680 29.760 1.00 0.00 C ATOM 0 HA PRO A 40 66.902 71.559 27.656 1.00 0.00 H new ATOM 0 HB2 PRO A 40 64.230 72.177 27.234 1.00 0.00 H new ATOM 0 HB3 PRO A 40 64.738 71.320 28.676 1.00 0.00 H new ATOM 0 HG2 PRO A 40 64.200 74.314 28.363 1.00 0.00 H new ATOM 0 HG3 PRO A 40 63.619 73.237 29.617 1.00 0.00 H new ATOM 0 HD2 PRO A 40 65.847 74.721 30.068 1.00 0.00 H new ATOM 0 HD3 PRO A 40 65.773 73.075 30.667 1.00 0.00 H new ATOM 664 N THR A 41 66.540 72.180 25.350 1.00 0.00 N ATOM 665 CA THR A 41 66.490 72.530 23.920 1.00 0.00 C ATOM 666 C THR A 41 65.120 73.110 23.690 1.00 0.00 C ATOM 667 O THR A 41 64.920 74.180 23.160 1.00 0.00 O ATOM 668 CB THR A 41 66.630 71.350 22.940 1.00 0.00 C ATOM 669 OG1 THR A 41 67.820 70.680 23.020 1.00 0.00 O ATOM 670 CG2 THR A 41 66.600 71.830 21.500 1.00 0.00 C ATOM 0 H THR A 41 66.670 71.181 25.512 1.00 0.00 H new ATOM 0 HA THR A 41 67.333 73.194 23.725 1.00 0.00 H new ATOM 0 HB THR A 41 65.799 70.702 23.218 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.560 71.318 22.945 1.00 0.00 H new ATOM 0 HG21 THR A 41 66.701 70.976 20.830 1.00 0.00 H new ATOM 0 HG22 THR A 41 65.654 72.335 21.305 1.00 0.00 H new ATOM 0 HG23 THR A 41 67.424 72.524 21.330 1.00 0.00 H new ATOM 678 N ASN A 42 64.170 72.340 24.210 1.00 0.00 N ATOM 679 CA ASN A 42 62.780 72.380 23.870 1.00 0.00 C ATOM 680 C ASN A 42 62.090 73.610 24.400 1.00 0.00 C ATOM 681 O ASN A 42 61.220 74.120 23.660 1.00 0.00 O ATOM 682 CB ASN A 42 62.170 71.100 24.460 1.00 0.00 C ATOM 683 CG ASN A 42 62.710 69.870 23.750 1.00 0.00 C ATOM 684 OD1 ASN A 42 63.300 69.910 22.700 1.00 0.00 O ATOM 685 ND2 ASN A 42 62.540 68.720 24.380 1.00 0.00 N ATOM 0 H ASN A 42 64.377 71.636 24.919 1.00 0.00 H new ATOM 0 HA ASN A 42 62.651 72.430 22.789 1.00 0.00 H new ATOM 0 HB2 ASN A 42 62.397 71.040 25.524 1.00 0.00 H new ATOM 0 HB3 ASN A 42 61.084 71.132 24.367 1.00 0.00 H new ATOM 0 HD21 ASN A 42 62.909 67.859 23.978 1.00 0.00 H new ATOM 0 HD22 ASN A 42 62.040 68.694 25.268 1.00 0.00 H new ATOM 692 N ALA A 43 62.390 74.090 25.600 1.00 0.00 N ATOM 693 CA ALA A 43 61.790 75.320 26.110 1.00 0.00 C ATOM 694 C ALA A 43 62.670 76.550 26.250 1.00 0.00 C ATOM 695 O ALA A 43 62.140 77.630 26.250 1.00 0.00 O ATOM 696 CB ALA A 43 61.090 75.010 27.430 1.00 0.00 C ATOM 0 H ALA A 43 63.047 73.646 26.241 1.00 0.00 H new ATOM 0 HA ALA A 43 61.101 75.625 25.322 1.00 0.00 H new ATOM 0 HB1 ALA A 43 60.637 75.920 27.824 1.00 0.00 H new ATOM 0 HB2 ALA A 43 60.316 74.261 27.264 1.00 0.00 H new ATOM 0 HB3 ALA A 43 61.817 74.628 28.146 1.00 0.00 H new ATOM 702 N HIS A 44 63.980 76.360 26.440 1.00 0.00 N ATOM 703 CA HIS A 44 65.000 77.390 26.770 1.00 0.00 C ATOM 704 C HIS A 44 64.620 78.110 28.050 1.00 0.00 C ATOM 705 O HIS A 44 64.880 79.330 28.170 1.00 0.00 O ATOM 706 CB HIS A 44 65.260 78.350 25.590 1.00 0.00 C ATOM 707 CG HIS A 44 65.700 77.650 24.340 1.00 0.00 C ATOM 708 ND1 HIS A 44 66.890 76.960 24.210 1.00 0.00 N ATOM 709 CD2 HIS A 44 65.030 77.590 23.160 1.00 0.00 C ATOM 710 CE1 HIS A 44 66.920 76.450 22.970 1.00 0.00 C ATOM 711 NE2 HIS A 44 65.840 76.840 22.330 1.00 0.00 N ATOM 0 H HIS A 44 64.393 75.430 26.365 1.00 0.00 H new ATOM 0 HA HIS A 44 65.952 76.889 26.947 1.00 0.00 H new ATOM 0 HB2 HIS A 44 64.350 78.913 25.382 1.00 0.00 H new ATOM 0 HB3 HIS A 44 66.022 79.073 25.880 1.00 0.00 H new ATOM 0 HD2 HIS A 44 64.074 78.032 22.923 1.00 0.00 H new ATOM 0 HE1 HIS A 44 67.701 75.824 22.565 1.00 0.00 H new ATOM 0 HE2 HIS A 44 65.630 76.620 21.357 1.00 0.00 H new ATOM 719 N LYS A 45 64.020 77.400 28.990 1.00 0.00 N ATOM 720 CA LYS A 45 63.430 77.970 30.190 1.00 0.00 C ATOM 721 C LYS A 45 64.270 77.830 31.410 1.00 0.00 C ATOM 722 O LYS A 45 64.540 78.800 32.120 1.00 0.00 O ATOM 723 CB LYS A 45 62.000 77.480 30.360 1.00 0.00 C ATOM 724 CG LYS A 45 61.320 78.170 31.540 1.00 0.00 C ATOM 725 CD LYS A 45 59.960 77.570 31.850 1.00 0.00 C ATOM 726 CE LYS A 45 59.350 78.160 33.110 1.00 0.00 C ATOM 727 NZ LYS A 45 58.020 77.560 33.360 1.00 0.00 N ATOM 0 H LYS A 45 63.927 76.386 28.939 1.00 0.00 H new ATOM 0 HA LYS A 45 63.389 79.050 30.048 1.00 0.00 H new ATOM 0 HB2 LYS A 45 61.435 77.672 29.448 1.00 0.00 H new ATOM 0 HB3 LYS A 45 61.998 76.401 30.515 1.00 0.00 H new ATOM 0 HG2 LYS A 45 61.958 78.093 32.420 1.00 0.00 H new ATOM 0 HG3 LYS A 45 61.205 79.232 31.321 1.00 0.00 H new ATOM 0 HD2 LYS A 45 59.289 77.740 31.008 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.058 76.491 31.966 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.006 77.977 33.961 1.00 0.00 H new ATOM 0 HE3 LYS A 45 59.256 79.241 33.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 57.611 77.970 34.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 57.393 77.756 32.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.120 76.532 33.479 1.00 0.00 H new ATOM 741 N ASP A 46 64.630 76.590 31.680 1.00 0.00 N ATOM 742 CA ASP A 46 65.540 76.270 32.750 1.00 0.00 C ATOM 743 C ASP A 46 66.870 76.980 32.440 1.00 0.00 C ATOM 744 O ASP A 46 67.430 77.550 33.390 1.00 0.00 O ATOM 745 CB ASP A 46 65.770 74.740 32.910 1.00 0.00 C ATOM 746 CG ASP A 46 64.500 74.120 33.480 1.00 0.00 C ATOM 747 OD1 ASP A 46 63.820 74.510 34.080 1.00 0.00 O ATOM 748 OD2 ASP A 46 64.410 72.680 33.210 1.00 0.00 O ATOM 0 H ASP A 46 64.296 75.779 31.160 1.00 0.00 H new ATOM 0 HA ASP A 46 65.113 76.607 33.695 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.013 74.290 31.947 1.00 0.00 H new ATOM 0 HB3 ASP A 46 66.615 74.551 33.572 1.00 0.00 H new ATOM 753 N MET A 47 67.310 77.080 31.200 1.00 0.00 N ATOM 754 CA MET A 47 68.570 77.770 30.900 1.00 0.00 C ATOM 755 C MET A 47 68.520 79.280 31.160 1.00 0.00 C ATOM 756 O MET A 47 69.470 79.840 31.710 1.00 0.00 O ATOM 757 CB MET A 47 68.910 77.510 29.460 1.00 0.00 C ATOM 758 CG MET A 47 70.170 78.250 29.110 1.00 0.00 C ATOM 759 SD MET A 47 70.460 77.850 27.450 1.00 0.00 S ATOM 760 CE MET A 47 71.270 76.270 27.490 1.00 0.00 C ATOM 0 H MET A 47 66.827 76.700 30.386 1.00 0.00 H new ATOM 0 HA MET A 47 69.334 77.377 31.571 1.00 0.00 H new ATOM 0 HB2 MET A 47 69.043 76.441 29.292 1.00 0.00 H new ATOM 0 HB3 MET A 47 68.092 77.834 28.816 1.00 0.00 H new ATOM 0 HG2 MET A 47 70.049 79.325 29.244 1.00 0.00 H new ATOM 0 HG3 MET A 47 71.001 77.941 29.744 1.00 0.00 H new ATOM 0 HE1 MET A 47 72.107 76.273 26.792 1.00 0.00 H new ATOM 0 HE2 MET A 47 71.638 76.075 28.497 1.00 0.00 H new ATOM 0 HE3 MET A 47 70.563 75.491 27.205 1.00 0.00 H new ATOM 770 N LEU A 48 67.430 79.940 30.750 1.00 0.00 N ATOM 771 CA LEU A 48 67.260 81.380 30.940 1.00 0.00 C ATOM 772 C LEU A 48 67.310 81.670 32.440 1.00 0.00 C ATOM 773 O LEU A 48 67.960 82.600 32.900 1.00 0.00 O ATOM 774 CB LEU A 48 65.940 81.920 30.330 1.00 0.00 C ATOM 775 CG LEU A 48 65.800 83.430 30.560 1.00 0.00 C ATOM 776 CD1 LEU A 48 66.830 84.210 29.760 1.00 0.00 C ATOM 777 CD2 LEU A 48 64.450 83.890 30.140 1.00 0.00 C ATOM 0 H LEU A 48 66.645 79.490 30.279 1.00 0.00 H new ATOM 0 HA LEU A 48 68.066 81.893 30.414 1.00 0.00 H new ATOM 0 HB2 LEU A 48 65.917 81.709 29.261 1.00 0.00 H new ATOM 0 HB3 LEU A 48 65.091 81.401 30.776 1.00 0.00 H new ATOM 0 HG LEU A 48 65.954 83.610 31.624 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.703 85.277 29.946 1.00 0.00 H new ATOM 0 HD12 LEU A 48 67.832 83.906 30.062 1.00 0.00 H new ATOM 0 HD13 LEU A 48 66.694 84.008 28.697 1.00 0.00 H new ATOM 0 HD21 LEU A 48 64.363 84.963 30.308 1.00 0.00 H new ATOM 0 HD22 LEU A 48 64.306 83.676 29.081 1.00 0.00 H new ATOM 0 HD23 LEU A 48 63.690 83.369 30.722 1.00 0.00 H new ATOM 789 N LYS A 49 66.660 80.800 33.230 1.00 0.00 N ATOM 790 CA LYS A 49 66.730 80.890 34.670 1.00 0.00 C ATOM 791 C LYS A 49 68.150 80.670 35.220 1.00 0.00 C ATOM 792 O LYS A 49 68.520 81.360 36.150 1.00 0.00 O ATOM 793 CB LYS A 49 65.780 79.870 35.290 1.00 0.00 C ATOM 794 CG LYS A 49 64.320 80.210 34.970 1.00 0.00 C ATOM 795 CD LYS A 49 63.370 79.230 35.630 1.00 0.00 C ATOM 796 CE LYS A 49 61.920 79.630 35.370 1.00 0.00 C ATOM 797 NZ LYS A 49 61.060 78.660 36.050 1.00 0.00 N ATOM 0 H LYS A 49 66.085 80.033 32.882 1.00 0.00 H new ATOM 0 HA LYS A 49 66.438 81.905 34.941 1.00 0.00 H new ATOM 0 HB2 LYS A 49 66.015 78.874 34.915 1.00 0.00 H new ATOM 0 HB3 LYS A 49 65.923 79.845 36.370 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.097 81.221 35.310 1.00 0.00 H new ATOM 0 HG3 LYS A 49 64.169 80.196 33.891 1.00 0.00 H new ATOM 0 HD2 LYS A 49 63.550 78.226 35.246 1.00 0.00 H new ATOM 0 HD3 LYS A 49 63.558 79.200 36.703 1.00 0.00 H new ATOM 0 HE2 LYS A 49 61.729 80.637 35.742 1.00 0.00 H new ATOM 0 HE3 LYS A 49 61.713 79.641 34.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 60.063 78.898 35.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 61.257 77.706 35.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 61.249 78.686 37.072 1.00 0.00 H new ATOM 811 N ALA A 50 68.920 79.750 34.660 1.00 0.00 N ATOM 812 CA ALA A 50 70.310 79.500 35.040 1.00 0.00 C ATOM 813 C ALA A 50 71.180 80.740 34.930 1.00 0.00 C ATOM 814 O ALA A 50 71.960 81.040 35.810 1.00 0.00 O ATOM 815 CB ALA A 50 70.910 78.400 34.190 1.00 0.00 C ATOM 0 H ALA A 50 68.592 79.140 33.911 1.00 0.00 H new ATOM 0 HA ALA A 50 70.288 79.195 36.086 1.00 0.00 H new ATOM 0 HB1 ALA A 50 71.944 78.231 34.490 1.00 0.00 H new ATOM 0 HB2 ALA A 50 70.338 77.482 34.326 1.00 0.00 H new ATOM 0 HB3 ALA A 50 70.880 78.694 33.141 1.00 0.00 H new ATOM 821 N VAL A 51 70.980 81.490 33.850 1.00 0.00 N ATOM 822 CA VAL A 51 71.760 82.720 33.720 1.00 0.00 C ATOM 823 C VAL A 51 71.480 83.700 34.870 1.00 0.00 C ATOM 824 O VAL A 51 72.400 84.270 35.460 1.00 0.00 O ATOM 825 CB VAL A 51 71.480 83.350 32.370 1.00 0.00 C ATOM 826 CG1 VAL A 51 72.190 84.680 32.320 1.00 0.00 C ATOM 827 CG2 VAL A 51 71.970 82.480 31.220 1.00 0.00 C ATOM 0 H VAL A 51 70.327 81.288 33.093 1.00 0.00 H new ATOM 0 HA VAL A 51 72.819 82.470 33.783 1.00 0.00 H new ATOM 0 HB VAL A 51 70.402 83.466 32.257 1.00 0.00 H new ATOM 0 HG11 VAL A 51 72.005 85.155 31.357 1.00 0.00 H new ATOM 0 HG12 VAL A 51 71.818 85.321 33.119 1.00 0.00 H new ATOM 0 HG13 VAL A 51 73.261 84.526 32.448 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.748 82.971 30.272 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.046 82.332 31.309 1.00 0.00 H new ATOM 0 HG23 VAL A 51 71.467 81.514 31.255 1.00 0.00 H new ATOM 837 N ASP A 52 70.200 83.880 35.220 1.00 0.00 N ATOM 838 CA ASP A 52 69.810 84.720 36.340 1.00 0.00 C ATOM 839 C ASP A 52 70.210 84.140 37.700 1.00 0.00 C ATOM 840 O ASP A 52 70.720 84.880 38.540 1.00 0.00 O ATOM 841 CB ASP A 52 68.280 84.920 36.280 1.00 0.00 C ATOM 842 CG ASP A 52 68.040 85.850 35.100 1.00 0.00 C ATOM 843 OD1 ASP A 52 68.640 86.470 34.600 1.00 0.00 O ATOM 844 OD2 ASP A 52 66.560 85.780 34.810 1.00 0.00 O ATOM 0 H ASP A 52 69.416 83.447 34.733 1.00 0.00 H new ATOM 0 HA ASP A 52 70.339 85.669 36.250 1.00 0.00 H new ATOM 0 HB2 ASP A 52 67.765 83.969 36.142 1.00 0.00 H new ATOM 0 HB3 ASP A 52 67.904 85.355 37.206 1.00 0.00 H new ATOM 849 N PHE A 53 70.090 82.830 37.890 1.00 0.00 N ATOM 850 CA PHE A 53 70.440 82.140 39.130 1.00 0.00 C ATOM 851 C PHE A 53 71.900 82.280 39.400 1.00 0.00 C ATOM 852 O PHE A 53 72.250 82.510 40.580 1.00 0.00 O ATOM 853 CB PHE A 53 70.110 80.640 39.080 1.00 0.00 C ATOM 854 CG PHE A 53 68.630 80.350 39.100 1.00 0.00 C ATOM 855 CD1 PHE A 53 67.720 81.390 39.390 1.00 0.00 C ATOM 856 CD2 PHE A 53 68.120 79.100 38.750 1.00 0.00 C ATOM 857 CE1 PHE A 53 66.340 81.160 39.250 1.00 0.00 C ATOM 858 CE2 PHE A 53 66.740 78.840 38.760 1.00 0.00 C ATOM 859 CZ PHE A 53 65.850 79.900 39.080 1.00 0.00 C ATOM 0 H PHE A 53 69.738 82.201 37.168 1.00 0.00 H new ATOM 0 HA PHE A 53 69.848 82.603 39.920 1.00 0.00 H new ATOM 0 HB2 PHE A 53 70.545 80.210 38.178 1.00 0.00 H new ATOM 0 HB3 PHE A 53 70.581 80.144 39.928 1.00 0.00 H new ATOM 0 HD1 PHE A 53 68.081 82.354 39.717 1.00 0.00 H new ATOM 0 HD2 PHE A 53 68.803 78.313 38.464 1.00 0.00 H new ATOM 0 HE1 PHE A 53 65.657 81.996 39.278 1.00 0.00 H new ATOM 0 HE2 PHE A 53 66.363 77.855 38.529 1.00 0.00 H new ATOM 0 HZ PHE A 53 64.793 79.709 39.188 1.00 0.00 H new ATOM 869 N PHE A 54 72.720 82.160 38.390 1.00 0.00 N ATOM 870 CA PHE A 54 74.130 82.000 38.630 1.00 0.00 C ATOM 871 C PHE A 54 74.690 83.190 39.340 1.00 0.00 C ATOM 872 O PHE A 54 75.340 83.050 40.290 1.00 0.00 O ATOM 873 CB PHE A 54 74.920 81.700 37.370 1.00 0.00 C ATOM 874 CG PHE A 54 74.710 80.300 36.850 1.00 0.00 C ATOM 875 CD1 PHE A 54 74.370 79.280 37.710 1.00 0.00 C ATOM 876 CD2 PHE A 54 74.820 80.010 35.500 1.00 0.00 C ATOM 877 CE1 PHE A 54 74.190 78.020 37.210 1.00 0.00 C ATOM 878 CE2 PHE A 54 74.610 78.720 34.980 1.00 0.00 C ATOM 879 CZ PHE A 54 74.290 77.700 35.850 1.00 0.00 C ATOM 0 H PHE A 54 72.443 82.170 37.408 1.00 0.00 H new ATOM 0 HA PHE A 54 74.234 81.126 39.273 1.00 0.00 H new ATOM 0 HB2 PHE A 54 74.639 82.413 36.595 1.00 0.00 H new ATOM 0 HB3 PHE A 54 75.981 81.850 37.571 1.00 0.00 H new ATOM 0 HD1 PHE A 54 74.247 79.472 38.766 1.00 0.00 H new ATOM 0 HD2 PHE A 54 75.078 80.807 34.819 1.00 0.00 H new ATOM 0 HE1 PHE A 54 73.957 77.226 37.904 1.00 0.00 H new ATOM 0 HE2 PHE A 54 74.698 78.533 33.920 1.00 0.00 H new ATOM 0 HZ PHE A 54 74.123 76.693 35.497 1.00 0.00 H new ATOM 889 N LYS A 55 74.270 84.370 38.860 1.00 0.00 N ATOM 890 CA LYS A 55 74.600 85.640 39.440 1.00 0.00 C ATOM 891 C LYS A 55 73.930 85.810 40.770 1.00 0.00 C ATOM 892 O LYS A 55 74.600 86.430 41.570 1.00 0.00 O ATOM 893 CB LYS A 55 74.070 86.700 38.540 1.00 0.00 C ATOM 894 CG LYS A 55 74.740 86.780 37.210 1.00 0.00 C ATOM 895 CD LYS A 55 74.180 87.790 36.240 1.00 0.00 C ATOM 896 CE LYS A 55 74.910 87.780 34.920 1.00 0.00 C ATOM 897 NZ LYS A 55 74.370 88.840 34.070 1.00 0.00 N ATOM 0 H LYS A 55 73.676 84.448 38.034 1.00 0.00 H new ATOM 0 HA LYS A 55 75.681 85.702 39.567 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.005 86.527 38.385 1.00 0.00 H new ATOM 0 HB3 LYS A 55 74.167 87.664 39.039 1.00 0.00 H new ATOM 0 HG2 LYS A 55 75.794 87.008 37.371 1.00 0.00 H new ATOM 0 HG3 LYS A 55 74.694 85.796 36.744 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.124 87.581 36.070 1.00 0.00 H new ATOM 0 HD3 LYS A 55 74.241 88.786 36.679 1.00 0.00 H new ATOM 0 HE2 LYS A 55 75.978 87.932 35.079 1.00 0.00 H new ATOM 0 HE3 LYS A 55 74.795 86.812 34.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 74.868 88.840 33.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.356 88.675 33.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.502 89.760 34.537 1.00 0.00 H new ATOM 911 N GLU A 56 72.700 85.360 40.990 1.00 0.00 N ATOM 912 CA GLU A 56 72.130 85.450 42.330 1.00 0.00 C ATOM 913 C GLU A 56 73.060 84.790 43.330 1.00 0.00 C ATOM 914 O GLU A 56 73.200 85.340 44.430 1.00 0.00 O ATOM 915 CB GLU A 56 70.740 84.800 42.420 1.00 0.00 C ATOM 916 CG GLU A 56 69.700 85.530 41.590 1.00 0.00 C ATOM 917 CD GLU A 56 68.310 84.880 41.670 1.00 0.00 C ATOM 918 OE1 GLU A 56 68.210 83.820 42.360 1.00 0.00 O ATOM 919 OE2 GLU A 56 67.330 85.450 41.170 1.00 0.00 O ATOM 0 H GLU A 56 72.094 84.942 40.284 1.00 0.00 H new ATOM 0 HA GLU A 56 72.015 86.509 42.561 1.00 0.00 H new ATOM 0 HB2 GLU A 56 70.805 83.765 42.086 1.00 0.00 H new ATOM 0 HB3 GLU A 56 70.419 84.779 43.462 1.00 0.00 H new ATOM 0 HG2 GLU A 56 69.632 86.564 41.928 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.025 85.556 40.550 1.00 0.00 H new ATOM 926 N LYS A 57 73.740 83.680 43.000 1.00 0.00 N ATOM 927 CA LYS A 57 74.700 83.150 43.940 1.00 0.00 C ATOM 928 C LYS A 57 76.180 83.340 43.570 1.00 0.00 C ATOM 929 O LYS A 57 76.590 83.250 42.430 1.00 0.00 O ATOM 930 CB LYS A 57 74.360 81.710 44.200 1.00 0.00 C ATOM 931 CG LYS A 57 73.010 81.590 44.910 1.00 0.00 C ATOM 932 CD LYS A 57 72.710 80.120 45.190 1.00 0.00 C ATOM 933 CE LYS A 57 71.380 79.990 45.900 1.00 0.00 C ATOM 934 NZ LYS A 57 71.120 78.570 46.150 1.00 0.00 N ATOM 0 H LYS A 57 73.641 83.162 42.127 1.00 0.00 H new ATOM 0 HA LYS A 57 74.609 83.743 44.850 1.00 0.00 H new ATOM 0 HB2 LYS A 57 74.330 81.163 43.258 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.139 81.252 44.810 1.00 0.00 H new ATOM 0 HG2 LYS A 57 73.027 82.153 45.843 1.00 0.00 H new ATOM 0 HG3 LYS A 57 72.223 82.021 44.292 1.00 0.00 H new ATOM 0 HD2 LYS A 57 72.689 79.560 44.255 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.502 79.689 45.802 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.397 80.542 46.839 1.00 0.00 H new ATOM 0 HE3 LYS A 57 70.583 80.419 45.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 70.205 78.306 45.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 71.875 77.998 45.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 71.095 78.397 47.175 1.00 0.00 H new ATOM 948 N GLY A 58 77.040 83.410 44.520 1.00 0.00 N ATOM 949 CA GLY A 58 78.490 83.670 44.470 1.00 0.00 C ATOM 950 C GLY A 58 79.370 82.490 44.070 1.00 0.00 C ATOM 951 O GLY A 58 80.540 82.580 43.850 1.00 0.00 O ATOM 0 H GLY A 58 76.737 83.274 45.484 1.00 0.00 H new ATOM 0 HA2 GLY A 58 78.668 84.485 43.768 1.00 0.00 H new ATOM 0 HA3 GLY A 58 78.810 84.019 45.452 1.00 0.00 H new ATOM 955 N HIS A 59 78.820 81.300 44.050 1.00 0.00 N ATOM 956 CA HIS A 59 79.610 80.070 44.020 1.00 0.00 C ATOM 957 C HIS A 59 80.470 79.790 42.770 1.00 0.00 C ATOM 958 O HIS A 59 81.600 79.310 42.850 1.00 0.00 O ATOM 959 CB HIS A 59 78.580 78.970 44.220 1.00 0.00 C ATOM 960 CG HIS A 59 77.830 79.090 45.520 1.00 0.00 C ATOM 961 ND1 HIS A 59 76.500 79.350 45.720 1.00 0.00 N flip ATOM 962 CD2 HIS A 59 78.430 79.030 46.760 1.00 0.00 C flip ATOM 963 CE1 HIS A 59 76.290 79.370 47.080 1.00 0.00 C flip ATOM 964 NE2 HIS A 59 77.480 79.140 47.660 1.00 0.00 N flip ATOM 0 H HIS A 59 77.812 81.146 44.054 1.00 0.00 H new ATOM 0 HA HIS A 59 80.380 80.144 44.788 1.00 0.00 H new ATOM 0 HB2 HIS A 59 77.869 78.992 43.394 1.00 0.00 H new ATOM 0 HB3 HIS A 59 79.080 78.002 44.184 1.00 0.00 H new ATOM 0 HD1 HIS A 59 75.797 79.501 44.996 1.00 0.00 H new ATOM 0 HD2 HIS A 59 79.486 78.914 46.955 1.00 0.00 H new ATOM 0 HE1 HIS A 59 75.350 79.538 47.584 1.00 0.00 H new ATOM 972 N THR A 60 79.890 80.030 41.580 1.00 0.00 N ATOM 973 CA THR A 60 80.670 79.900 40.350 1.00 0.00 C ATOM 974 C THR A 60 81.740 80.980 40.400 1.00 0.00 C ATOM 975 O THR A 60 81.660 81.970 41.120 1.00 0.00 O ATOM 976 CB THR A 60 79.810 80.000 39.070 1.00 0.00 C ATOM 977 OG1 THR A 60 80.560 79.540 37.980 1.00 0.00 O ATOM 978 CG2 THR A 60 79.450 81.440 38.790 1.00 0.00 C ATOM 0 H THR A 60 78.916 80.306 41.451 1.00 0.00 H new ATOM 0 HA THR A 60 81.115 78.906 40.297 1.00 0.00 H new ATOM 0 HB THR A 60 78.907 79.407 39.213 1.00 0.00 H new ATOM 0 HG1 THR A 60 81.408 79.167 38.300 1.00 0.00 H new ATOM 0 HG21 THR A 60 78.844 81.494 37.885 1.00 0.00 H new ATOM 0 HG22 THR A 60 78.885 81.844 39.630 1.00 0.00 H new ATOM 0 HG23 THR A 60 80.361 82.023 38.652 1.00 0.00 H new ATOM 986 N ALA A 61 82.780 80.820 39.600 1.00 0.00 N ATOM 987 CA ALA A 61 83.700 81.880 39.280 1.00 0.00 C ATOM 988 C ALA A 61 83.330 82.500 37.930 1.00 0.00 C ATOM 989 O ALA A 61 83.220 83.720 37.810 1.00 0.00 O ATOM 990 CB ALA A 61 85.080 81.240 39.260 1.00 0.00 C ATOM 0 H ALA A 61 83.006 79.933 39.151 1.00 0.00 H new ATOM 0 HA ALA A 61 83.672 82.692 40.006 1.00 0.00 H new ATOM 0 HB1 ALA A 61 85.828 81.996 39.022 1.00 0.00 H new ATOM 0 HB2 ALA A 61 85.296 80.811 40.238 1.00 0.00 H new ATOM 0 HB3 ALA A 61 85.106 80.454 38.506 1.00 0.00 H new ATOM 996 N TYR A 62 83.050 81.710 36.930 1.00 0.00 N ATOM 997 CA TYR A 62 82.760 82.170 35.570 1.00 0.00 C ATOM 998 C TYR A 62 81.550 81.470 34.960 1.00 0.00 C ATOM 999 O TYR A 62 81.290 80.330 35.360 1.00 0.00 O ATOM 1000 CB TYR A 62 83.950 81.870 34.730 1.00 0.00 C ATOM 1001 CG TYR A 62 85.220 82.640 35.050 1.00 0.00 C ATOM 1002 CD1 TYR A 62 86.090 82.180 36.050 1.00 0.00 C ATOM 1003 CD2 TYR A 62 85.580 83.750 34.280 1.00 0.00 C ATOM 1004 CE1 TYR A 62 87.260 82.890 36.380 1.00 0.00 C ATOM 1005 CE2 TYR A 62 86.720 84.460 34.630 1.00 0.00 C ATOM 1006 CZ TYR A 62 87.570 84.050 35.660 1.00 0.00 C ATOM 1007 OH TYR A 62 88.680 84.740 35.900 1.00 0.00 O ATOM 0 H TYR A 62 83.012 80.695 37.026 1.00 0.00 H new ATOM 0 HA TYR A 62 82.536 83.236 35.610 1.00 0.00 H new ATOM 0 HB2 TYR A 62 84.167 80.805 34.814 1.00 0.00 H new ATOM 0 HB3 TYR A 62 83.689 82.061 33.689 1.00 0.00 H new ATOM 0 HD1 TYR A 62 85.858 81.265 36.576 1.00 0.00 H new ATOM 0 HD2 TYR A 62 84.984 84.049 33.431 1.00 0.00 H new ATOM 0 HE1 TYR A 62 87.906 82.546 37.174 1.00 0.00 H new ATOM 0 HE2 TYR A 62 86.959 85.362 34.086 1.00 0.00 H new ATOM 0 HH TYR A 62 88.721 85.513 35.299 1.00 0.00 H new ATOM 1017 N LEU A 63 80.920 82.080 33.970 1.00 0.00 N ATOM 1018 CA LEU A 63 79.890 81.490 33.090 1.00 0.00 C ATOM 1019 C LEU A 63 80.120 81.800 31.610 1.00 0.00 C ATOM 1020 O LEU A 63 80.230 82.950 31.190 1.00 0.00 O ATOM 1021 CB LEU A 63 78.490 81.980 33.520 1.00 0.00 C ATOM 1022 CG LEU A 63 77.350 81.420 32.640 1.00 0.00 C ATOM 1023 CD1 LEU A 63 77.260 79.920 32.670 1.00 0.00 C ATOM 1024 CD2 LEU A 63 76.010 81.970 33.110 1.00 0.00 C ATOM 0 H LEU A 63 81.114 83.053 33.735 1.00 0.00 H new ATOM 0 HA LEU A 63 79.960 80.408 33.200 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.314 81.692 34.557 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.467 83.069 33.483 1.00 0.00 H new ATOM 0 HG LEU A 63 77.579 81.731 31.621 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.440 79.592 32.032 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.195 79.492 32.308 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.080 79.587 33.692 1.00 0.00 H new ATOM 0 HD21 LEU A 63 75.213 81.570 32.484 1.00 0.00 H new ATOM 0 HD22 LEU A 63 75.840 81.677 34.146 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.017 83.058 33.037 1.00 0.00 H new ATOM 1036 N ASP A 64 80.060 80.760 30.770 1.00 0.00 N ATOM 1037 CA ASP A 64 80.060 80.890 29.320 1.00 0.00 C ATOM 1038 C ASP A 64 79.070 79.930 28.650 1.00 0.00 C ATOM 1039 O ASP A 64 78.550 79.040 29.320 1.00 0.00 O ATOM 1040 CB ASP A 64 81.480 80.630 28.770 1.00 0.00 C ATOM 1041 CG ASP A 64 81.450 81.440 27.440 1.00 0.00 C ATOM 1042 OD1 ASP A 64 80.630 82.000 27.040 1.00 0.00 O ATOM 1043 OD2 ASP A 64 82.670 81.450 26.710 1.00 0.00 O ATOM 0 H ASP A 64 80.010 79.793 31.090 1.00 0.00 H new ATOM 0 HA ASP A 64 79.745 81.907 29.086 1.00 0.00 H new ATOM 0 HB2 ASP A 64 82.255 80.985 29.449 1.00 0.00 H new ATOM 0 HB3 ASP A 64 81.667 79.570 28.601 1.00 0.00 H new ATOM 1048 N GLU A 65 78.720 80.080 27.390 1.00 0.00 N ATOM 1049 CA GLU A 65 78.040 79.060 26.580 1.00 0.00 C ATOM 1050 C GLU A 65 78.840 77.810 26.230 1.00 0.00 C ATOM 1051 O GLU A 65 80.080 77.870 26.240 1.00 0.00 O ATOM 1052 CB GLU A 65 77.560 79.690 25.280 1.00 0.00 C ATOM 1053 CG GLU A 65 78.670 80.240 24.380 1.00 0.00 C ATOM 1054 CD GLU A 65 78.180 80.780 23.010 1.00 0.00 C ATOM 1055 OE1 GLU A 65 77.020 80.690 22.610 1.00 0.00 O ATOM 1056 OE2 GLU A 65 79.030 81.210 22.230 1.00 0.00 O ATOM 0 H GLU A 65 78.902 80.940 26.873 1.00 0.00 H new ATOM 0 HA GLU A 65 77.230 78.713 27.221 1.00 0.00 H new ATOM 0 HB2 GLU A 65 76.994 78.945 24.720 1.00 0.00 H new ATOM 0 HB3 GLU A 65 76.871 80.500 25.519 1.00 0.00 H new ATOM 0 HG2 GLU A 65 79.185 81.042 24.909 1.00 0.00 H new ATOM 0 HG3 GLU A 65 79.402 79.452 24.205 1.00 0.00 H new ATOM 1063 N VAL A 66 78.200 76.750 25.770 1.00 0.00 N ATOM 1064 CA VAL A 66 78.910 75.770 24.960 1.00 0.00 C ATOM 1065 C VAL A 66 78.540 75.880 23.500 1.00 0.00 C ATOM 1066 O VAL A 66 77.400 75.710 23.180 1.00 0.00 O ATOM 1067 CB VAL A 66 78.680 74.370 25.520 1.00 0.00 C ATOM 1068 CG1 VAL A 66 79.350 73.340 24.620 1.00 0.00 C ATOM 1069 CG2 VAL A 66 79.290 74.240 26.890 1.00 0.00 C ATOM 0 H VAL A 66 77.215 76.546 25.936 1.00 0.00 H new ATOM 0 HA VAL A 66 79.979 75.978 25.013 1.00 0.00 H new ATOM 0 HB VAL A 66 77.604 74.202 25.572 1.00 0.00 H new ATOM 0 HG11 VAL A 66 79.183 72.341 25.023 1.00 0.00 H new ATOM 0 HG12 VAL A 66 78.926 73.402 23.618 1.00 0.00 H new ATOM 0 HG13 VAL A 66 80.421 73.539 24.574 1.00 0.00 H new ATOM 0 HG21 VAL A 66 79.115 73.234 27.272 1.00 0.00 H new ATOM 0 HG22 VAL A 66 80.363 74.424 26.830 1.00 0.00 H new ATOM 0 HG23 VAL A 66 78.834 74.968 27.562 1.00 0.00 H new ATOM 1079 N ARG A 67 79.520 75.950 22.590 1.00 0.00 N ATOM 1080 CA ARG A 67 79.400 75.770 21.140 1.00 0.00 C ATOM 1081 C ARG A 67 79.520 74.320 20.650 1.00 0.00 C ATOM 1082 O ARG A 67 80.440 73.920 19.990 1.00 0.00 O ATOM 1083 CB ARG A 67 80.400 76.650 20.400 1.00 0.00 C ATOM 1084 CG ARG A 67 80.170 78.140 20.640 1.00 0.00 C ATOM 1085 CD ARG A 67 81.290 78.970 19.990 1.00 0.00 C ATOM 1086 NE ARG A 67 81.100 80.390 20.220 1.00 0.00 N ATOM 1087 CZ ARG A 67 81.500 80.960 21.350 1.00 0.00 C ATOM 1088 NH1 ARG A 67 82.150 80.260 22.250 1.00 0.00 N ATOM 1089 NH2 ARG A 67 81.360 82.210 21.540 1.00 0.00 N ATOM 0 H ARG A 67 80.482 76.147 22.867 1.00 0.00 H new ATOM 0 HA ARG A 67 78.379 76.075 20.910 1.00 0.00 H new ATOM 0 HB2 ARG A 67 81.410 76.388 20.715 1.00 0.00 H new ATOM 0 HB3 ARG A 67 80.336 76.445 19.331 1.00 0.00 H new ATOM 0 HG2 ARG A 67 79.205 78.436 20.229 1.00 0.00 H new ATOM 0 HG3 ARG A 67 80.135 78.341 21.711 1.00 0.00 H new ATOM 0 HD2 ARG A 67 82.254 78.661 20.393 1.00 0.00 H new ATOM 0 HD3 ARG A 67 81.315 78.774 18.918 1.00 0.00 H new ATOM 0 HE ARG A 67 80.652 80.959 19.502 1.00 0.00 H new ATOM 0 HH11 ARG A 67 82.350 79.274 22.082 1.00 0.00 H new ATOM 0 HH12 ARG A 67 82.456 80.702 23.117 1.00 0.00 H new ATOM 0 HH21 ARG A 67 80.935 82.791 20.818 1.00 0.00 H new ATOM 0 HH22 ARG A 67 81.673 82.631 22.415 1.00 0.00 H new ATOM 1103 N VAL A 68 78.640 73.450 21.140 1.00 0.00 N ATOM 1104 CA VAL A 68 77.850 72.480 20.360 1.00 0.00 C ATOM 1105 C VAL A 68 76.410 72.960 20.360 1.00 0.00 C ATOM 1106 O VAL A 68 75.470 72.220 20.290 1.00 0.00 O ATOM 1107 CB VAL A 68 77.950 71.050 20.930 1.00 0.00 C ATOM 1108 CG1 VAL A 68 79.380 70.550 20.900 1.00 0.00 C ATOM 1109 CG2 VAL A 68 77.490 70.980 22.370 1.00 0.00 C ATOM 0 H VAL A 68 78.444 73.394 22.139 1.00 0.00 H new ATOM 0 HA VAL A 68 78.243 72.427 19.345 1.00 0.00 H new ATOM 0 HB VAL A 68 77.307 70.434 20.301 1.00 0.00 H new ATOM 0 HG11 VAL A 68 79.421 69.540 21.308 1.00 0.00 H new ATOM 0 HG12 VAL A 68 79.741 70.541 19.872 1.00 0.00 H new ATOM 0 HG13 VAL A 68 80.008 71.209 21.499 1.00 0.00 H new ATOM 0 HG21 VAL A 68 77.577 69.955 22.730 1.00 0.00 H new ATOM 0 HG22 VAL A 68 78.111 71.634 22.982 1.00 0.00 H new ATOM 0 HG23 VAL A 68 76.450 71.300 22.436 1.00 0.00 H new ATOM 1119 N SER A 69 76.250 74.260 20.590 1.00 0.00 N ATOM 1120 CA SER A 69 75.030 75.010 20.630 1.00 0.00 C ATOM 1121 C SER A 69 74.380 75.070 19.280 1.00 0.00 C ATOM 1122 O SER A 69 73.140 75.040 19.230 1.00 0.00 O ATOM 1123 CB SER A 69 75.360 76.420 21.100 1.00 0.00 C ATOM 1124 OG SER A 69 76.500 76.900 20.500 1.00 0.00 O ATOM 0 H SER A 69 77.057 74.858 20.768 1.00 0.00 H new ATOM 0 HA SER A 69 74.332 74.523 21.311 1.00 0.00 H new ATOM 0 HB2 SER A 69 74.524 77.083 20.877 1.00 0.00 H new ATOM 0 HB3 SER A 69 75.489 76.422 22.182 1.00 0.00 H new ATOM 0 HG SER A 69 76.682 77.807 20.823 1.00 0.00 H new ATOM 1130 N THR A 70 75.090 75.130 18.180 1.00 0.00 N ATOM 1131 CA THR A 70 74.380 74.970 16.920 1.00 0.00 C ATOM 1132 C THR A 70 73.650 73.620 16.930 1.00 0.00 C ATOM 1133 O THR A 70 72.470 73.520 16.640 1.00 0.00 O ATOM 1134 CB THR A 70 75.280 75.120 15.700 1.00 0.00 C ATOM 1135 OG1 THR A 70 76.150 74.020 15.590 1.00 0.00 O ATOM 1136 CG2 THR A 70 76.160 76.350 15.700 1.00 0.00 C ATOM 0 H THR A 70 76.097 75.279 18.120 1.00 0.00 H new ATOM 0 HA THR A 70 73.654 75.778 16.834 1.00 0.00 H new ATOM 0 HB THR A 70 74.579 75.197 14.869 1.00 0.00 H new ATOM 0 HG1 THR A 70 76.720 74.131 14.800 1.00 0.00 H new ATOM 0 HG21 THR A 70 76.762 76.367 14.792 1.00 0.00 H new ATOM 0 HG22 THR A 70 75.537 77.243 15.739 1.00 0.00 H new ATOM 0 HG23 THR A 70 76.816 76.328 16.570 1.00 0.00 H new ATOM 1144 N ASP A 71 74.350 72.600 17.420 1.00 0.00 N ATOM 1145 CA ASP A 71 73.890 71.220 17.500 1.00 0.00 C ATOM 1146 C ASP A 71 72.960 70.730 18.610 1.00 0.00 C ATOM 1147 O ASP A 71 72.120 69.920 18.240 1.00 0.00 O ATOM 1148 CB ASP A 71 75.140 70.390 17.690 1.00 0.00 C ATOM 1149 CG ASP A 71 75.710 70.410 16.290 1.00 0.00 C ATOM 1150 OD1 ASP A 71 75.300 70.630 15.460 1.00 0.00 O ATOM 1151 OD2 ASP A 71 77.160 70.110 16.370 1.00 0.00 O ATOM 0 H ASP A 71 75.294 72.720 17.788 1.00 0.00 H new ATOM 0 HA ASP A 71 73.285 71.132 16.597 1.00 0.00 H new ATOM 0 HB2 ASP A 71 75.821 70.829 18.419 1.00 0.00 H new ATOM 0 HB3 ASP A 71 74.917 69.379 18.031 1.00 0.00 H new ATOM 1156 N GLU A 72 73.080 71.230 19.840 1.00 0.00 N ATOM 1157 CA GLU A 72 72.090 71.030 20.930 1.00 0.00 C ATOM 1158 C GLU A 72 71.400 72.320 21.420 1.00 0.00 C ATOM 1159 O GLU A 72 70.160 72.430 21.450 1.00 0.00 O ATOM 1160 CB GLU A 72 72.770 70.410 22.100 1.00 0.00 C ATOM 1161 CG GLU A 72 73.150 68.990 21.740 1.00 0.00 C ATOM 1162 CD GLU A 72 73.830 68.380 22.950 1.00 0.00 C ATOM 1163 OE1 GLU A 72 74.870 68.890 23.370 1.00 0.00 O ATOM 1164 OE2 GLU A 72 73.260 67.330 23.450 1.00 0.00 O ATOM 0 H GLU A 72 73.878 71.798 20.125 1.00 0.00 H new ATOM 0 HA GLU A 72 71.314 70.394 20.505 1.00 0.00 H new ATOM 0 HB2 GLU A 72 73.658 70.983 22.369 1.00 0.00 H new ATOM 0 HB3 GLU A 72 72.111 70.417 22.968 1.00 0.00 H new ATOM 0 HG2 GLU A 72 72.266 68.414 21.466 1.00 0.00 H new ATOM 0 HG3 GLU A 72 73.818 68.978 20.878 1.00 0.00 H new ATOM 1171 N LYS A 73 72.220 73.320 21.650 1.00 0.00 N ATOM 1172 CA LYS A 73 71.910 74.560 22.370 1.00 0.00 C ATOM 1173 C LYS A 73 71.260 74.260 23.720 1.00 0.00 C ATOM 1174 O LYS A 73 70.290 74.870 24.130 1.00 0.00 O ATOM 1175 CB LYS A 73 71.030 75.440 21.490 1.00 0.00 C ATOM 1176 CG LYS A 73 70.700 76.780 22.140 1.00 0.00 C ATOM 1177 CD LYS A 73 69.840 77.630 21.240 1.00 0.00 C ATOM 1178 CE LYS A 73 69.450 78.920 21.950 1.00 0.00 C ATOM 1179 NZ LYS A 73 68.580 79.730 21.070 1.00 0.00 N ATOM 0 H LYS A 73 73.186 73.299 21.323 1.00 0.00 H new ATOM 0 HA LYS A 73 72.832 75.101 22.585 1.00 0.00 H new ATOM 0 HB2 LYS A 73 71.534 75.616 20.540 1.00 0.00 H new ATOM 0 HB3 LYS A 73 70.103 74.912 21.266 1.00 0.00 H new ATOM 0 HG2 LYS A 73 70.184 76.611 23.085 1.00 0.00 H new ATOM 0 HG3 LYS A 73 71.623 77.311 22.372 1.00 0.00 H new ATOM 0 HD2 LYS A 73 70.379 77.861 20.321 1.00 0.00 H new ATOM 0 HD3 LYS A 73 68.944 77.079 20.954 1.00 0.00 H new ATOM 0 HE2 LYS A 73 68.930 78.691 22.881 1.00 0.00 H new ATOM 0 HE3 LYS A 73 70.344 79.485 22.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 68.316 80.610 21.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 69.090 79.960 20.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 67.721 79.191 20.839 1.00 0.00 H new ATOM 1193 N ASP A 74 71.850 73.370 24.490 1.00 0.00 N ATOM 1194 CA ASP A 74 71.270 73.050 25.810 1.00 0.00 C ATOM 1195 C ASP A 74 72.310 73.310 26.850 1.00 0.00 C ATOM 1196 O ASP A 74 71.960 73.300 28.040 1.00 0.00 O ATOM 1197 CB ASP A 74 70.820 71.620 25.920 1.00 0.00 C ATOM 1198 CG ASP A 74 69.540 71.180 25.250 1.00 0.00 C ATOM 1199 OD1 ASP A 74 69.610 72.010 23.990 1.00 0.00 O ATOM 1200 OD2 ASP A 74 68.800 70.590 25.540 1.00 0.00 O ATOM 0 H ASP A 74 72.702 72.862 24.251 1.00 0.00 H new ATOM 0 HA ASP A 74 70.388 73.676 25.949 1.00 0.00 H new ATOM 0 HB2 ASP A 74 71.623 70.996 25.528 1.00 0.00 H new ATOM 0 HB3 ASP A 74 70.727 71.390 26.981 1.00 0.00 H new ATOM 1205 N PHE A 75 73.550 73.550 26.450 1.00 0.00 N ATOM 1206 CA PHE A 75 74.670 73.490 27.350 1.00 0.00 C ATOM 1207 C PHE A 75 75.260 74.870 27.640 1.00 0.00 C ATOM 1208 O PHE A 75 75.690 75.590 26.770 1.00 0.00 O ATOM 1209 CB PHE A 75 75.720 72.530 26.830 1.00 0.00 C ATOM 1210 CG PHE A 75 75.380 71.090 27.090 1.00 0.00 C ATOM 1211 CD1 PHE A 75 75.750 70.510 28.300 1.00 0.00 C ATOM 1212 CD2 PHE A 75 74.690 70.330 26.150 1.00 0.00 C ATOM 1213 CE1 PHE A 75 75.470 69.170 28.580 1.00 0.00 C ATOM 1214 CE2 PHE A 75 74.430 68.980 26.400 1.00 0.00 C ATOM 1215 CZ PHE A 75 74.800 68.400 27.630 1.00 0.00 C ATOM 0 H PHE A 75 73.798 73.791 25.490 1.00 0.00 H new ATOM 0 HA PHE A 75 74.303 73.110 28.303 1.00 0.00 H new ATOM 0 HB2 PHE A 75 75.842 72.681 25.757 1.00 0.00 H new ATOM 0 HB3 PHE A 75 76.678 72.761 27.296 1.00 0.00 H new ATOM 0 HD1 PHE A 75 76.264 71.108 29.038 1.00 0.00 H new ATOM 0 HD2 PHE A 75 74.356 70.783 25.228 1.00 0.00 H new ATOM 0 HE1 PHE A 75 75.769 68.735 29.522 1.00 0.00 H new ATOM 0 HE2 PHE A 75 73.943 68.378 25.647 1.00 0.00 H new ATOM 0 HZ PHE A 75 74.566 67.366 27.835 1.00 0.00 H new ATOM 1225 N LEU A 76 75.330 75.160 28.940 1.00 0.00 N ATOM 1226 CA LEU A 76 76.130 76.230 29.510 1.00 0.00 C ATOM 1227 C LEU A 76 77.360 75.660 30.170 1.00 0.00 C ATOM 1228 O LEU A 76 77.300 74.590 30.740 1.00 0.00 O ATOM 1229 CB LEU A 76 75.300 76.990 30.550 1.00 0.00 C ATOM 1230 CG LEU A 76 74.120 77.720 29.910 1.00 0.00 C ATOM 1231 CD1 LEU A 76 73.270 78.370 31.000 1.00 0.00 C ATOM 1232 CD2 LEU A 76 74.620 78.810 28.970 1.00 0.00 C ATOM 0 H LEU A 76 74.811 74.635 29.644 1.00 0.00 H new ATOM 0 HA LEU A 76 76.434 76.910 28.714 1.00 0.00 H new ATOM 0 HB2 LEU A 76 74.931 76.292 31.302 1.00 0.00 H new ATOM 0 HB3 LEU A 76 75.935 77.709 31.067 1.00 0.00 H new ATOM 0 HG LEU A 76 73.528 76.998 29.348 1.00 0.00 H new ATOM 0 HD11 LEU A 76 72.428 78.891 30.543 1.00 0.00 H new ATOM 0 HD12 LEU A 76 72.897 77.602 31.677 1.00 0.00 H new ATOM 0 HD13 LEU A 76 73.877 79.082 31.559 1.00 0.00 H new ATOM 0 HD21 LEU A 76 73.769 79.322 28.521 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.220 79.527 29.531 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.229 78.362 28.185 1.00 0.00 H new ATOM 1244 N TYR A 77 78.460 76.380 30.050 1.00 0.00 N ATOM 1245 CA TYR A 77 79.700 75.940 30.640 1.00 0.00 C ATOM 1246 C TYR A 77 80.020 76.890 31.770 1.00 0.00 C ATOM 1247 O TYR A 77 80.380 78.050 31.590 1.00 0.00 O ATOM 1248 CB TYR A 77 80.810 75.890 29.620 1.00 0.00 C ATOM 1249 CG TYR A 77 82.090 75.380 30.230 1.00 0.00 C ATOM 1250 CD1 TYR A 77 82.140 74.130 30.880 1.00 0.00 C ATOM 1251 CD2 TYR A 77 83.220 76.170 30.200 1.00 0.00 C ATOM 1252 CE1 TYR A 77 83.350 73.690 31.440 1.00 0.00 C ATOM 1253 CE2 TYR A 77 84.460 75.720 30.720 1.00 0.00 C ATOM 1254 CZ TYR A 77 84.500 74.480 31.380 1.00 0.00 C ATOM 1255 OH TYR A 77 85.650 74.050 31.950 1.00 0.00 O ATOM 0 H TYR A 77 78.515 77.268 29.551 1.00 0.00 H new ATOM 0 HA TYR A 77 79.601 74.923 31.021 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.517 75.245 28.792 1.00 0.00 H new ATOM 0 HB3 TYR A 77 80.973 76.886 29.207 1.00 0.00 H new ATOM 0 HD1 TYR A 77 81.254 73.516 30.947 1.00 0.00 H new ATOM 0 HD2 TYR A 77 83.159 77.158 29.769 1.00 0.00 H new ATOM 0 HE1 TYR A 77 83.392 72.726 31.925 1.00 0.00 H new ATOM 0 HE2 TYR A 77 85.354 76.317 30.611 1.00 0.00 H new ATOM 0 HH TYR A 77 86.352 74.720 31.815 1.00 0.00 H new ATOM 1265 N GLU A 78 79.800 76.340 32.960 1.00 0.00 N ATOM 1266 CA GLU A 78 79.910 76.980 34.260 1.00 0.00 C ATOM 1267 C GLU A 78 81.250 76.620 34.840 1.00 0.00 C ATOM 1268 O GLU A 78 81.710 75.490 34.540 1.00 0.00 O ATOM 1269 CB GLU A 78 78.820 76.450 35.240 1.00 0.00 C ATOM 1270 CG GLU A 78 78.650 77.370 36.480 1.00 0.00 C ATOM 1271 CD GLU A 78 78.080 78.700 36.060 1.00 0.00 C ATOM 1272 OE1 GLU A 78 77.990 78.910 35.000 1.00 0.00 O ATOM 1273 OE2 GLU A 78 77.800 79.620 36.990 1.00 0.00 O ATOM 0 H GLU A 78 79.520 75.363 33.043 1.00 0.00 H new ATOM 0 HA GLU A 78 79.788 78.056 34.134 1.00 0.00 H new ATOM 0 HB2 GLU A 78 77.868 76.372 34.714 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.086 75.445 35.569 1.00 0.00 H new ATOM 0 HG2 GLU A 78 77.991 76.896 37.207 1.00 0.00 H new ATOM 0 HG3 GLU A 78 79.613 77.516 36.970 1.00 0.00 H new ATOM 1280 N LEU A 79 81.950 77.460 35.570 1.00 0.00 N ATOM 1281 CA LEU A 79 83.220 77.050 36.180 1.00 0.00 C ATOM 1282 C LEU A 79 83.200 77.440 37.640 1.00 0.00 C ATOM 1283 O LEU A 79 83.130 78.670 37.890 1.00 0.00 O ATOM 1284 CB LEU A 79 84.430 77.640 35.450 1.00 0.00 C ATOM 1285 CG LEU A 79 84.530 77.310 33.970 1.00 0.00 C ATOM 1286 CD1 LEU A 79 83.440 77.980 33.160 1.00 0.00 C ATOM 1287 CD2 LEU A 79 85.860 77.750 33.430 1.00 0.00 C ATOM 0 H LEU A 79 81.675 78.424 35.761 1.00 0.00 H new ATOM 0 HA LEU A 79 83.324 75.968 36.094 1.00 0.00 H new ATOM 0 HB2 LEU A 79 84.406 78.724 35.561 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.336 77.289 35.944 1.00 0.00 H new ATOM 0 HG LEU A 79 84.416 76.230 33.880 1.00 0.00 H new ATOM 0 HD11 LEU A 79 83.553 77.715 32.109 1.00 0.00 H new ATOM 0 HD12 LEU A 79 82.465 77.647 33.516 1.00 0.00 H new ATOM 0 HD13 LEU A 79 83.517 79.062 33.271 1.00 0.00 H new ATOM 0 HD21 LEU A 79 85.920 77.508 32.369 1.00 0.00 H new ATOM 0 HD22 LEU A 79 85.969 78.826 33.564 1.00 0.00 H new ATOM 0 HD23 LEU A 79 86.658 77.235 33.965 1.00 0.00 H new ATOM 1299 N HIS A 80 83.320 76.580 38.610 1.00 0.00 N ATOM 1300 CA HIS A 80 83.090 76.980 39.990 1.00 0.00 C ATOM 1301 C HIS A 80 84.390 76.970 40.710 1.00 0.00 C ATOM 1302 O HIS A 80 85.130 75.960 40.620 1.00 0.00 O ATOM 1303 CB HIS A 80 82.060 76.130 40.660 1.00 0.00 C ATOM 1304 CG HIS A 80 80.720 76.010 40.060 1.00 0.00 C ATOM 1305 ND1 HIS A 80 80.460 75.150 39.020 1.00 0.00 N ATOM 1306 CD2 HIS A 80 79.600 76.700 40.390 1.00 0.00 C ATOM 1307 CE1 HIS A 80 79.170 75.350 38.720 1.00 0.00 C ATOM 1308 NE2 HIS A 80 78.640 76.270 39.510 1.00 0.00 N ATOM 0 H HIS A 80 83.574 75.600 38.484 1.00 0.00 H new ATOM 0 HA HIS A 80 82.682 77.991 40.008 1.00 0.00 H new ATOM 0 HB2 HIS A 80 82.471 75.124 40.746 1.00 0.00 H new ATOM 0 HB3 HIS A 80 81.932 76.509 41.674 1.00 0.00 H new ATOM 0 HD1 HIS A 80 81.108 74.501 38.574 1.00 0.00 H new ATOM 0 HD2 HIS A 80 79.488 77.431 41.177 1.00 0.00 H new ATOM 0 HE1 HIS A 80 78.635 74.831 37.939 1.00 0.00 H new ATOM 1316 N ILE A 81 84.740 78.070 41.320 1.00 0.00 N ATOM 1317 CA ILE A 81 86.140 78.430 41.530 1.00 0.00 C ATOM 1318 C ILE A 81 87.180 77.850 40.500 1.00 0.00 C ATOM 1319 O ILE A 81 87.990 76.990 40.840 1.00 0.00 O ATOM 1320 CB ILE A 81 86.520 78.070 42.960 1.00 0.00 C ATOM 1321 CG1 ILE A 81 85.900 79.030 43.950 1.00 0.00 C ATOM 1322 CG2 ILE A 81 88.030 78.160 43.190 1.00 0.00 C ATOM 1323 CD1 ILE A 81 86.370 80.470 43.790 1.00 0.00 C ATOM 0 H ILE A 81 84.074 78.749 41.689 1.00 0.00 H new ATOM 0 HA ILE A 81 86.201 79.504 41.352 1.00 0.00 H new ATOM 0 HB ILE A 81 86.162 77.051 43.107 1.00 0.00 H new ATOM 0 HG12 ILE A 81 84.816 78.998 43.842 1.00 0.00 H new ATOM 0 HG13 ILE A 81 86.130 78.693 44.961 1.00 0.00 H new ATOM 0 HG21 ILE A 81 88.257 77.895 44.223 1.00 0.00 H new ATOM 0 HG22 ILE A 81 88.542 77.472 42.518 1.00 0.00 H new ATOM 0 HG23 ILE A 81 88.368 79.178 42.994 1.00 0.00 H new ATOM 0 HD11 ILE A 81 85.881 81.097 44.535 1.00 0.00 H new ATOM 0 HD12 ILE A 81 87.450 80.518 43.928 1.00 0.00 H new ATOM 0 HD13 ILE A 81 86.116 80.827 42.792 1.00 0.00 H new ATOM 1335 N ILE A 82 87.190 78.210 39.240 1.00 0.00 N ATOM 1336 CA ILE A 82 88.340 77.700 38.390 1.00 0.00 C ATOM 1337 C ILE A 82 89.720 78.250 38.910 1.00 0.00 C ATOM 1338 O ILE A 82 90.810 77.730 38.140 1.00 0.00 O ATOM 1339 CB ILE A 82 88.010 77.960 36.950 1.00 0.00 C ATOM 1340 CG1 ILE A 82 88.870 77.110 36.010 1.00 0.00 C ATOM 1341 CG2 ILE A 82 88.170 79.430 36.630 1.00 0.00 C ATOM 1342 CD1 ILE A 82 88.640 75.610 36.190 1.00 0.00 C ATOM 1343 OXT ILE A 82 89.920 78.990 39.670 1.00 0.00 O ATOM 0 H ILE A 82 86.501 78.800 38.773 1.00 0.00 H new ATOM 0 HA ILE A 82 88.467 76.621 38.478 1.00 0.00 H new ATOM 0 HB ILE A 82 86.970 77.675 36.792 1.00 0.00 H new ATOM 0 HG12 ILE A 82 88.652 77.385 34.978 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.922 77.335 36.185 1.00 0.00 H new ATOM 0 HG21 ILE A 82 87.927 79.603 35.582 1.00 0.00 H new ATOM 0 HG22 ILE A 82 87.499 80.014 37.259 1.00 0.00 H new ATOM 0 HG23 ILE A 82 89.200 79.733 36.818 1.00 0.00 H new ATOM 0 HD11 ILE A 82 89.276 75.059 35.498 1.00 0.00 H new ATOM 0 HD12 ILE A 82 88.884 75.325 37.213 1.00 0.00 H new ATOM 0 HD13 ILE A 82 87.595 75.375 35.988 1.00 0.00 H new