USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 163 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 53 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-2) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= -0.0464 USER MOD Set 2.1: A 52 TYR OH : rot 66:sc= 0.523 USER MOD Set 2.2: A 80 TYR OH : rot 104:sc= 0.236 USER MOD Set 3.1: A 32 GLN : amide:sc= -3.29 K(o=-3.6,f=-7.5!) USER MOD Set 3.2: A 56 THR OG1 : rot -64:sc= -0.3 USER MOD Single : A 1 ASP N :NH3+ 141:sc= 0.0635 (180deg=-0.0245) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -31:sc= 0.141 USER MOD Single : A 16 THR OG1 : rot -159:sc= -3.53! USER MOD Single : A 18 THR OG1 : rot -80:sc= -4.02! USER MOD Single : A 20 ASN : amide:sc= -0.0381 X(o=-0.038,f=-0.12) USER MOD Single : A 24 SER OG : rot -103:sc= 0.444 USER MOD Single : A 30 TYR OH : rot 151:sc= -1.04 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 39 ASN : amide:sc= -4.89! C(o=-4.9!,f=-14!) USER MOD Single : A 42 SER OG : rot -48:sc= 0.448 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc=-0.00855 K(o=-0.0085,f=-0.58) USER MOD Single : A 48 SER OG : rot 156:sc= 0.402 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 28:sc= 0.892 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -88:sc= -1.01! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0644 K(o=-0.064,f=-1.3!) USER MOD Single : A 81 TYR OH : rot 24:sc= -1.52! USER MOD Single : A 82 THR OG1 : rot 61:sc= 0.751 USER MOD Single : A 85 HIS : no HE2:sc= 0.12 K(o=0.12,f=-1) USER MOD Single : A 86 TYR OH : rot -94:sc= 0.807 USER MOD Single : A 88 THR OG1 : rot 87:sc= 0.0708 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.230 -0.050 0.020 1.00 0.00 N ATOM 2 CA ASP A 1 2.030 -0.020 -1.220 1.00 0.00 C ATOM 3 C ASP A 1 3.440 0.550 -0.960 1.00 0.00 C ATOM 4 O ASP A 1 3.730 0.980 0.160 1.00 0.00 O ATOM 5 CB ASP A 1 1.280 0.790 -2.300 1.00 0.00 C ATOM 6 CG ASP A 1 0.810 2.190 -1.870 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.550 2.870 -1.140 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.300 2.550 -2.320 1.00 0.00 O ATOM 0 H1 ASP A 1 0.248 0.215 -0.194 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.250 -1.009 0.423 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.628 0.622 0.706 1.00 0.00 H new ATOM 0 HA ASP A 1 2.163 -1.040 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.931 0.895 -3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.410 0.217 -2.621 1.00 0.00 H new ATOM 12 N VAL A 2 4.260 0.590 -2.000 1.00 0.00 N ATOM 13 CA VAL A 2 5.610 1.180 -1.980 1.00 0.00 C ATOM 14 C VAL A 2 5.580 2.500 -1.190 1.00 0.00 C ATOM 15 O VAL A 2 4.690 3.330 -1.380 1.00 0.00 O ATOM 16 CB VAL A 2 6.100 1.440 -3.420 1.00 0.00 C ATOM 17 CG1 VAL A 2 7.560 1.890 -3.480 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.990 0.180 -4.270 1.00 0.00 C ATOM 0 H VAL A 2 4.007 0.205 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 2 6.297 0.484 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 2 5.459 2.235 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.847 2.057 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.679 2.816 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.197 1.118 -3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.342 0.391 -5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.600 -0.610 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.950 -0.144 -4.308 1.00 0.00 H new ATOM 20 N SER A 3 6.610 2.690 -0.370 1.00 0.00 N ATOM 21 CA SER A 3 6.740 3.900 0.470 1.00 0.00 C ATOM 22 C SER A 3 7.300 5.110 -0.300 1.00 0.00 C ATOM 23 O SER A 3 7.770 6.090 0.280 1.00 0.00 O ATOM 24 CB SER A 3 7.630 3.590 1.680 1.00 0.00 C ATOM 25 OG SER A 3 7.060 2.520 2.450 1.00 0.00 O ATOM 0 H SER A 3 7.375 2.024 -0.262 1.00 0.00 H new ATOM 0 HA SER A 3 5.737 4.175 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.630 3.315 1.345 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.736 4.479 2.301 1.00 0.00 H new ATOM 0 HG SER A 3 7.636 2.328 3.219 1.00 0.00 H new ATOM 28 N GLY A 4 7.190 5.020 -1.630 1.00 0.00 N ATOM 29 CA GLY A 4 7.670 6.030 -2.580 1.00 0.00 C ATOM 30 C GLY A 4 9.040 5.610 -3.120 1.00 0.00 C ATOM 31 O GLY A 4 9.460 4.470 -2.970 1.00 0.00 O ATOM 0 H GLY A 4 6.753 4.220 -2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.961 6.139 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.742 7.001 -2.090 1.00 0.00 H new ATOM 33 N THR A 5 9.620 6.490 -3.910 1.00 0.00 N ATOM 34 CA THR A 5 10.920 6.240 -4.530 1.00 0.00 C ATOM 35 C THR A 5 12.060 6.630 -3.570 1.00 0.00 C ATOM 36 O THR A 5 11.830 7.070 -2.450 1.00 0.00 O ATOM 37 CB THR A 5 10.960 7.000 -5.870 1.00 0.00 C ATOM 38 OG1 THR A 5 9.670 6.910 -6.490 1.00 0.00 O ATOM 39 CG2 THR A 5 11.920 6.360 -6.850 1.00 0.00 C ATOM 0 H THR A 5 9.213 7.395 -4.144 1.00 0.00 H new ATOM 0 HA THR A 5 11.063 5.179 -4.736 1.00 0.00 H new ATOM 0 HB THR A 5 11.265 8.023 -5.650 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.683 7.392 -7.343 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.919 6.925 -7.782 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.925 6.359 -6.427 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.608 5.334 -7.048 1.00 0.00 H new ATOM 42 N VAL A 6 13.280 6.340 -3.990 1.00 0.00 N ATOM 43 CA VAL A 6 14.460 6.540 -3.150 1.00 0.00 C ATOM 44 C VAL A 6 15.630 6.870 -4.070 1.00 0.00 C ATOM 45 O VAL A 6 15.870 6.200 -5.080 1.00 0.00 O ATOM 46 CB VAL A 6 14.640 5.310 -2.230 1.00 0.00 C ATOM 47 CG1 VAL A 6 15.550 4.210 -2.760 1.00 0.00 C ATOM 48 CG2 VAL A 6 15.090 5.750 -0.840 1.00 0.00 C ATOM 0 H VAL A 6 13.485 5.962 -4.915 1.00 0.00 H new ATOM 0 HA VAL A 6 14.370 7.382 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 6 13.653 4.850 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.602 3.399 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.151 3.829 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.549 4.613 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.213 4.874 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.040 6.280 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.339 6.411 -0.407 1.00 0.00 H new ATOM 50 N CYS A 7 16.080 8.090 -3.870 1.00 0.00 N ATOM 51 CA CYS A 7 17.230 8.580 -4.620 1.00 0.00 C ATOM 52 C CYS A 7 18.380 7.560 -4.600 1.00 0.00 C ATOM 53 O CYS A 7 18.630 6.920 -3.590 1.00 0.00 O ATOM 54 CB CYS A 7 17.680 9.940 -4.060 1.00 0.00 C ATOM 55 SG CYS A 7 16.380 11.210 -4.250 1.00 0.00 S ATOM 0 H CYS A 7 15.680 8.755 -3.208 1.00 0.00 H new ATOM 0 HA CYS A 7 16.936 8.715 -5.661 1.00 0.00 H new ATOM 0 HB2 CYS A 7 17.934 9.834 -3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 7 18.584 10.265 -4.575 1.00 0.00 H new ATOM 57 N LEU A 8 18.900 7.220 -5.770 1.00 0.00 N ATOM 58 CA LEU A 8 20.080 6.370 -5.940 1.00 0.00 C ATOM 59 C LEU A 8 21.240 6.770 -5.010 1.00 0.00 C ATOM 60 O LEU A 8 21.730 5.920 -4.270 1.00 0.00 O ATOM 61 CB LEU A 8 20.540 6.340 -7.390 1.00 0.00 C ATOM 62 CG LEU A 8 20.860 4.940 -7.930 1.00 0.00 C ATOM 63 CD1 LEU A 8 22.070 5.150 -8.830 1.00 0.00 C ATOM 64 CD2 LEU A 8 21.170 3.840 -6.900 1.00 0.00 C ATOM 0 H LEU A 8 18.505 7.535 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 8 19.774 5.364 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.765 6.787 -8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.428 6.965 -7.489 1.00 0.00 H new ATOM 0 HG LEU A 8 19.964 4.558 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 8 22.371 4.196 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 8 21.813 5.846 -9.629 1.00 0.00 H new ATOM 0 HD13 LEU A 8 22.893 5.559 -8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.378 2.904 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 8 22.040 4.129 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 8 20.312 3.707 -6.241 1.00 0.00 H new ATOM 66 N SER A 9 21.410 8.080 -4.830 1.00 0.00 N ATOM 67 CA SER A 9 22.370 8.650 -3.860 1.00 0.00 C ATOM 68 C SER A 9 21.950 8.430 -2.390 1.00 0.00 C ATOM 69 O SER A 9 22.740 8.590 -1.470 1.00 0.00 O ATOM 70 CB SER A 9 22.560 10.140 -4.140 1.00 0.00 C ATOM 71 OG SER A 9 23.640 10.640 -3.340 1.00 0.00 O ATOM 0 H SER A 9 20.888 8.785 -5.350 1.00 0.00 H new ATOM 0 HA SER A 9 23.313 8.120 -3.993 1.00 0.00 H new ATOM 0 HB2 SER A 9 22.772 10.299 -5.197 1.00 0.00 H new ATOM 0 HB3 SER A 9 21.643 10.684 -3.914 1.00 0.00 H new ATOM 0 HG SER A 9 23.682 10.140 -2.498 1.00 0.00 H new ATOM 74 N ALA A 10 20.690 8.050 -2.180 1.00 0.00 N ATOM 75 CA ALA A 10 20.160 7.700 -0.850 1.00 0.00 C ATOM 76 C ALA A 10 20.540 6.260 -0.440 1.00 0.00 C ATOM 77 O ALA A 10 20.670 5.970 0.740 1.00 0.00 O ATOM 78 CB ALA A 10 18.630 7.860 -0.810 1.00 0.00 C ATOM 0 H ALA A 10 20.000 7.974 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 10 20.613 8.389 -0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 10 18.262 7.596 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 10 18.366 8.894 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 10 18.176 7.203 -1.552 1.00 0.00 H new ATOM 80 N LEU A 11 20.760 5.410 -1.430 1.00 0.00 N ATOM 81 CA LEU A 11 21.160 4.000 -1.240 1.00 0.00 C ATOM 82 C LEU A 11 22.690 3.840 -1.280 1.00 0.00 C ATOM 83 O LEU A 11 23.390 4.800 -1.640 1.00 0.00 O ATOM 84 CB LEU A 11 20.560 3.190 -2.390 1.00 0.00 C ATOM 85 CG LEU A 11 19.070 3.420 -2.550 1.00 0.00 C ATOM 86 CD1 LEU A 11 18.850 3.930 -3.960 1.00 0.00 C ATOM 87 CD2 LEU A 11 18.330 2.110 -2.500 1.00 0.00 C ATOM 0 H LEU A 11 20.667 5.673 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 11 20.805 3.657 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.066 3.454 -3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.744 2.130 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 11 18.728 4.097 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.787 4.110 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 11 19.401 4.860 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 11 19.204 3.187 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 11 17.261 2.291 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.678 1.464 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.514 1.625 -1.541 1.00 0.00 H new ATOM 89 N PRO A 12 23.240 2.670 -0.920 1.00 0.00 N ATOM 90 CA PRO A 12 24.700 2.420 -1.000 1.00 0.00 C ATOM 91 C PRO A 12 25.240 2.390 -2.450 1.00 0.00 C ATOM 92 O PRO A 12 24.450 2.260 -3.390 1.00 0.00 O ATOM 93 CB PRO A 12 24.880 1.090 -0.240 1.00 0.00 C ATOM 94 CG PRO A 12 23.550 0.360 -0.380 1.00 0.00 C ATOM 95 CD PRO A 12 22.560 1.520 -0.280 1.00 0.00 C ATOM 0 HA PRO A 12 25.286 3.226 -0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 12 25.696 0.504 -0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.123 1.266 0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 12 23.469 -0.169 -1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.401 -0.377 0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.625 1.284 -0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.313 1.738 0.759 1.00 0.00 H new ATOM 96 N PRO A 13 26.570 2.390 -2.650 1.00 0.00 N ATOM 97 CA PRO A 13 27.170 2.290 -4.010 1.00 0.00 C ATOM 98 C PRO A 13 26.980 0.910 -4.650 1.00 0.00 C ATOM 99 O PRO A 13 26.850 0.780 -5.860 1.00 0.00 O ATOM 100 CB PRO A 13 28.650 2.640 -3.810 1.00 0.00 C ATOM 101 CG PRO A 13 28.950 2.230 -2.370 1.00 0.00 C ATOM 102 CD PRO A 13 27.640 2.460 -1.620 1.00 0.00 C ATOM 0 HA PRO A 13 26.680 2.967 -4.710 1.00 0.00 H new ATOM 0 HB2 PRO A 13 29.284 2.103 -4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 13 28.831 3.704 -3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 13 29.262 1.187 -2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 13 29.758 2.828 -1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 13 27.492 1.704 -0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 13 27.640 3.429 -1.120 1.00 0.00 H new ATOM 103 N GLU A 14 26.750 -0.090 -3.800 1.00 0.00 N ATOM 104 CA GLU A 14 26.520 -1.480 -4.230 1.00 0.00 C ATOM 105 C GLU A 14 25.040 -1.740 -4.560 1.00 0.00 C ATOM 106 O GLU A 14 24.710 -2.700 -5.260 1.00 0.00 O ATOM 107 CB GLU A 14 27.000 -2.450 -3.160 1.00 0.00 C ATOM 108 CG GLU A 14 28.250 -2.030 -2.390 1.00 0.00 C ATOM 109 CD GLU A 14 29.340 -3.090 -2.470 1.00 0.00 C ATOM 110 OE1 GLU A 14 30.000 -3.140 -3.530 1.00 0.00 O ATOM 111 OE2 GLU A 14 29.510 -3.820 -1.480 1.00 0.00 O ATOM 0 H GLU A 14 26.717 0.036 -2.788 1.00 0.00 H new ATOM 0 HA GLU A 14 27.094 -1.641 -5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 14 26.191 -2.602 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 14 27.194 -3.413 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 14 28.626 -1.089 -2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 14 27.992 -1.851 -1.346 1.00 0.00 H new ATOM 113 N ALA A 15 24.190 -0.770 -4.210 1.00 0.00 N ATOM 114 CA ALA A 15 22.770 -0.750 -4.580 1.00 0.00 C ATOM 115 C ALA A 15 22.560 -0.550 -6.080 1.00 0.00 C ATOM 116 O ALA A 15 21.760 -1.240 -6.700 1.00 0.00 O ATOM 117 CB ALA A 15 21.990 0.310 -3.800 1.00 0.00 C ATOM 0 H ALA A 15 24.473 0.036 -3.653 1.00 0.00 H new ATOM 0 HA ALA A 15 22.381 -1.733 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.944 0.290 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 15 22.061 0.101 -2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 15 22.409 1.295 -4.006 1.00 0.00 H new ATOM 119 N THR A 16 23.420 0.290 -6.650 1.00 0.00 N ATOM 120 CA THR A 16 23.460 0.550 -8.100 1.00 0.00 C ATOM 121 C THR A 16 23.930 -0.670 -8.900 1.00 0.00 C ATOM 122 O THR A 16 23.460 -0.920 -10.000 1.00 0.00 O ATOM 123 CB THR A 16 24.230 1.830 -8.440 1.00 0.00 C ATOM 124 OG1 THR A 16 23.310 2.550 -9.240 1.00 0.00 O ATOM 125 CG2 THR A 16 25.540 1.700 -9.250 1.00 0.00 C ATOM 0 H THR A 16 24.116 0.816 -6.122 1.00 0.00 H new ATOM 0 HA THR A 16 22.432 0.730 -8.415 1.00 0.00 H new ATOM 0 HB THR A 16 24.560 2.275 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 16 23.793 3.211 -9.779 1.00 0.00 H new ATOM 0 HG21 THR A 16 25.968 2.689 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 16 26.249 1.083 -8.698 1.00 0.00 H new ATOM 0 HG23 THR A 16 25.328 1.235 -10.213 1.00 0.00 H new ATOM 128 N ASP A 17 24.930 -1.350 -8.340 1.00 0.00 N ATOM 129 CA ASP A 17 25.570 -2.520 -8.960 1.00 0.00 C ATOM 130 C ASP A 17 24.520 -3.480 -9.510 1.00 0.00 C ATOM 131 O ASP A 17 24.490 -3.770 -10.700 1.00 0.00 O ATOM 132 CB ASP A 17 26.410 -3.250 -7.900 1.00 0.00 C ATOM 133 CG ASP A 17 27.570 -4.010 -8.550 1.00 0.00 C ATOM 134 OD1 ASP A 17 28.310 -3.370 -9.310 1.00 0.00 O ATOM 135 OD2 ASP A 17 27.710 -5.210 -8.200 1.00 0.00 O ATOM 0 H ASP A 17 25.326 -1.105 -7.433 1.00 0.00 H new ATOM 0 HA ASP A 17 26.202 -2.182 -9.782 1.00 0.00 H new ATOM 0 HB2 ASP A 17 26.800 -2.530 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 17 25.779 -3.945 -7.346 1.00 0.00 H new ATOM 137 N THR A 18 23.510 -3.700 -8.690 1.00 0.00 N ATOM 138 CA THR A 18 22.370 -4.540 -9.030 1.00 0.00 C ATOM 139 C THR A 18 21.550 -3.940 -10.170 1.00 0.00 C ATOM 140 O THR A 18 21.400 -4.600 -11.180 1.00 0.00 O ATOM 141 CB THR A 18 21.510 -4.720 -7.800 1.00 0.00 C ATOM 142 OG1 THR A 18 22.360 -4.760 -6.660 1.00 0.00 O ATOM 143 CG2 THR A 18 20.900 -6.090 -7.880 1.00 0.00 C ATOM 0 H THR A 18 23.455 -3.296 -7.755 1.00 0.00 H new ATOM 0 HA THR A 18 22.737 -5.508 -9.372 1.00 0.00 H new ATOM 0 HB THR A 18 20.771 -3.921 -7.736 1.00 0.00 H new ATOM 0 HG1 THR A 18 22.752 -5.654 -6.575 1.00 0.00 H new ATOM 0 HG21 THR A 18 20.270 -6.259 -7.007 1.00 0.00 H new ATOM 0 HG22 THR A 18 20.296 -6.167 -8.784 1.00 0.00 H new ATOM 0 HG23 THR A 18 21.691 -6.839 -7.907 1.00 0.00 H new ATOM 146 N LEU A 19 21.150 -2.680 -10.070 1.00 0.00 N ATOM 147 CA LEU A 19 20.450 -1.970 -11.170 1.00 0.00 C ATOM 148 C LEU A 19 21.170 -2.100 -12.520 1.00 0.00 C ATOM 149 O LEU A 19 20.520 -2.370 -13.520 1.00 0.00 O ATOM 150 CB LEU A 19 20.290 -0.490 -10.830 1.00 0.00 C ATOM 151 CG LEU A 19 19.830 -0.230 -9.390 1.00 0.00 C ATOM 152 CD1 LEU A 19 19.660 1.280 -9.240 1.00 0.00 C ATOM 153 CD2 LEU A 19 18.530 -0.950 -9.020 1.00 0.00 C ATOM 0 H LEU A 19 21.293 -2.110 -9.236 1.00 0.00 H new ATOM 0 HA LEU A 19 19.474 -2.445 -11.269 1.00 0.00 H new ATOM 0 HB2 LEU A 19 21.242 0.015 -10.994 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.570 -0.045 -11.517 1.00 0.00 H new ATOM 0 HG LEU A 19 20.582 -0.628 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.332 1.510 -8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 19 20.612 1.774 -9.435 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.915 1.635 -9.952 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.267 -0.719 -7.988 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.729 -0.618 -9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 19 18.667 -2.026 -9.127 1.00 0.00 H new ATOM 155 N ASN A 20 22.500 -2.160 -12.470 1.00 0.00 N ATOM 156 CA ASN A 20 23.350 -2.460 -13.640 1.00 0.00 C ATOM 157 C ASN A 20 23.220 -3.910 -14.080 1.00 0.00 C ATOM 158 O ASN A 20 22.910 -4.160 -15.230 1.00 0.00 O ATOM 159 CB ASN A 20 24.810 -2.210 -13.290 1.00 0.00 C ATOM 160 CG ASN A 20 25.410 -1.110 -14.140 1.00 0.00 C ATOM 161 OD1 ASN A 20 25.210 -1.000 -15.340 1.00 0.00 O ATOM 162 ND2 ASN A 20 26.180 -0.280 -13.480 1.00 0.00 N ATOM 0 H ASN A 20 23.030 -2.002 -11.613 1.00 0.00 H new ATOM 0 HA ASN A 20 23.020 -1.811 -14.451 1.00 0.00 H new ATOM 0 HB2 ASN A 20 24.891 -1.941 -12.237 1.00 0.00 H new ATOM 0 HB3 ASN A 20 25.380 -3.129 -13.429 1.00 0.00 H new ATOM 0 HD21 ASN A 20 26.636 0.490 -13.969 1.00 0.00 H new ATOM 0 HD22 ASN A 20 26.323 -0.404 -12.478 1.00 0.00 H new ATOM 166 N LEU A 21 23.310 -4.830 -13.140 1.00 0.00 N ATOM 167 CA LEU A 21 23.100 -6.260 -13.400 1.00 0.00 C ATOM 168 C LEU A 21 21.670 -6.560 -13.890 1.00 0.00 C ATOM 169 O LEU A 21 21.510 -7.420 -14.730 1.00 0.00 O ATOM 170 CB LEU A 21 23.390 -7.030 -12.120 1.00 0.00 C ATOM 171 CG LEU A 21 24.750 -6.810 -11.470 1.00 0.00 C ATOM 172 CD1 LEU A 21 24.810 -7.680 -10.210 1.00 0.00 C ATOM 173 CD2 LEU A 21 25.930 -7.080 -12.410 1.00 0.00 C ATOM 0 H LEU A 21 23.531 -4.617 -12.167 1.00 0.00 H new ATOM 0 HA LEU A 21 23.776 -6.571 -14.197 1.00 0.00 H new ATOM 0 HB2 LEU A 21 22.621 -6.775 -11.390 1.00 0.00 H new ATOM 0 HB3 LEU A 21 23.286 -8.094 -12.334 1.00 0.00 H new ATOM 0 HG LEU A 21 24.849 -5.756 -11.212 1.00 0.00 H new ATOM 0 HD11 LEU A 21 25.774 -7.545 -9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.012 -7.387 -9.528 1.00 0.00 H new ATOM 0 HD13 LEU A 21 24.686 -8.728 -10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 21 26.866 -6.903 -11.880 1.00 0.00 H new ATOM 0 HD22 LEU A 21 25.895 -8.115 -12.749 1.00 0.00 H new ATOM 0 HD23 LEU A 21 25.869 -6.414 -13.271 1.00 0.00 H new ATOM 175 N ILE A 22 20.650 -5.840 -13.420 1.00 0.00 N ATOM 176 CA ILE A 22 19.280 -5.950 -13.950 1.00 0.00 C ATOM 177 C ILE A 22 19.180 -5.370 -15.370 1.00 0.00 C ATOM 178 O ILE A 22 18.600 -6.000 -16.250 1.00 0.00 O ATOM 179 CB ILE A 22 18.260 -5.290 -12.990 1.00 0.00 C ATOM 180 CG1 ILE A 22 18.020 -6.220 -11.810 1.00 0.00 C ATOM 181 CG2 ILE A 22 16.890 -4.970 -13.600 1.00 0.00 C ATOM 182 CD1 ILE A 22 18.830 -5.790 -10.600 1.00 0.00 C ATOM 0 H ILE A 22 20.745 -5.164 -12.662 1.00 0.00 H new ATOM 0 HA ILE A 22 19.031 -7.009 -14.018 1.00 0.00 H new ATOM 0 HB ILE A 22 18.711 -4.338 -12.712 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.960 -6.226 -11.558 1.00 0.00 H new ATOM 0 HG13 ILE A 22 18.288 -7.240 -12.087 1.00 0.00 H new ATOM 0 HG21 ILE A 22 16.253 -4.511 -12.844 1.00 0.00 H new ATOM 0 HG22 ILE A 22 17.016 -4.281 -14.435 1.00 0.00 H new ATOM 0 HG23 ILE A 22 16.426 -5.890 -13.955 1.00 0.00 H new ATOM 0 HD11 ILE A 22 18.638 -6.473 -9.772 1.00 0.00 H new ATOM 0 HD12 ILE A 22 19.891 -5.809 -10.847 1.00 0.00 H new ATOM 0 HD13 ILE A 22 18.543 -4.779 -10.310 1.00 0.00 H new ATOM 184 N ALA A 23 19.800 -4.210 -15.560 1.00 0.00 N ATOM 185 CA ALA A 23 19.820 -3.500 -16.860 1.00 0.00 C ATOM 186 C ALA A 23 20.620 -4.270 -17.920 1.00 0.00 C ATOM 187 O ALA A 23 20.140 -4.510 -19.020 1.00 0.00 O ATOM 188 CB ALA A 23 20.380 -2.090 -16.680 1.00 0.00 C ATOM 0 H ALA A 23 20.308 -3.724 -14.822 1.00 0.00 H new ATOM 0 HA ALA A 23 18.793 -3.432 -17.218 1.00 0.00 H new ATOM 0 HB1 ALA A 23 20.390 -1.577 -17.642 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.754 -1.536 -15.980 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.396 -2.149 -16.290 1.00 0.00 H new ATOM 190 N SER A 24 21.780 -4.780 -17.500 1.00 0.00 N ATOM 191 CA SER A 24 22.680 -5.610 -18.320 1.00 0.00 C ATOM 192 C SER A 24 22.290 -7.100 -18.290 1.00 0.00 C ATOM 193 O SER A 24 22.910 -7.940 -18.920 1.00 0.00 O ATOM 194 CB SER A 24 24.120 -5.410 -17.820 1.00 0.00 C ATOM 195 OG SER A 24 25.080 -6.000 -18.700 1.00 0.00 O ATOM 0 H SER A 24 22.133 -4.626 -16.556 1.00 0.00 H new ATOM 0 HA SER A 24 22.596 -5.294 -19.360 1.00 0.00 H new ATOM 0 HB2 SER A 24 24.325 -4.344 -17.722 1.00 0.00 H new ATOM 0 HB3 SER A 24 24.223 -5.847 -16.827 1.00 0.00 H new ATOM 0 HG SER A 24 25.400 -6.843 -18.317 1.00 0.00 H new ATOM 198 N ASP A 25 21.210 -7.420 -17.550 1.00 0.00 N ATOM 199 CA ASP A 25 20.720 -8.800 -17.340 1.00 0.00 C ATOM 200 C ASP A 25 21.860 -9.780 -16.980 1.00 0.00 C ATOM 201 O ASP A 25 21.880 -10.940 -17.380 1.00 0.00 O ATOM 202 CB ASP A 25 19.950 -9.220 -18.590 1.00 0.00 C ATOM 203 CG ASP A 25 18.570 -9.780 -18.250 1.00 0.00 C ATOM 204 OD1 ASP A 25 18.510 -10.740 -17.440 1.00 0.00 O ATOM 205 OD2 ASP A 25 17.590 -9.280 -18.850 1.00 0.00 O ATOM 0 H ASP A 25 20.644 -6.718 -17.074 1.00 0.00 H new ATOM 0 HA ASP A 25 20.052 -8.828 -16.479 1.00 0.00 H new ATOM 0 HB2 ASP A 25 19.840 -8.362 -19.253 1.00 0.00 H new ATOM 0 HB3 ASP A 25 20.523 -9.972 -19.133 1.00 0.00 H new ATOM 207 N GLY A 26 22.810 -9.240 -16.220 1.00 0.00 N ATOM 208 CA GLY A 26 24.040 -9.920 -15.810 1.00 0.00 C ATOM 209 C GLY A 26 25.340 -9.230 -16.290 1.00 0.00 C ATOM 210 O GLY A 26 25.320 -8.070 -16.700 1.00 0.00 O ATOM 0 H GLY A 26 22.745 -8.288 -15.861 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.059 -9.987 -14.722 1.00 0.00 H new ATOM 0 HA3 GLY A 26 24.022 -10.941 -16.192 1.00 0.00 H new ATOM 212 N PRO A 27 26.480 -9.910 -16.070 1.00 0.00 N ATOM 213 CA PRO A 27 26.570 -11.210 -15.380 1.00 0.00 C ATOM 214 C PRO A 27 26.350 -11.050 -13.870 1.00 0.00 C ATOM 215 O PRO A 27 26.650 -10.010 -13.290 1.00 0.00 O ATOM 216 CB PRO A 27 27.950 -11.750 -15.700 1.00 0.00 C ATOM 217 CG PRO A 27 28.790 -10.510 -15.990 1.00 0.00 C ATOM 218 CD PRO A 27 27.810 -9.460 -16.530 1.00 0.00 C ATOM 0 HA PRO A 27 25.796 -11.901 -15.715 1.00 0.00 H new ATOM 0 HB2 PRO A 27 28.357 -12.318 -14.864 1.00 0.00 H new ATOM 0 HB3 PRO A 27 27.924 -12.421 -16.559 1.00 0.00 H new ATOM 0 HG2 PRO A 27 29.287 -10.154 -15.087 1.00 0.00 H new ATOM 0 HG3 PRO A 27 29.571 -10.728 -16.719 1.00 0.00 H new ATOM 0 HD2 PRO A 27 28.045 -8.467 -16.148 1.00 0.00 H new ATOM 0 HD3 PRO A 27 27.853 -9.402 -17.618 1.00 0.00 H new ATOM 219 N PHE A 28 25.550 -11.970 -13.370 1.00 0.00 N ATOM 220 CA PHE A 28 25.140 -12.010 -11.970 1.00 0.00 C ATOM 221 C PHE A 28 26.180 -12.740 -11.090 1.00 0.00 C ATOM 222 O PHE A 28 26.320 -13.950 -11.230 1.00 0.00 O ATOM 223 CB PHE A 28 23.750 -12.660 -11.870 1.00 0.00 C ATOM 224 CG PHE A 28 22.620 -11.750 -12.360 1.00 0.00 C ATOM 225 CD1 PHE A 28 22.540 -10.400 -11.960 1.00 0.00 C ATOM 226 CD2 PHE A 28 21.580 -12.320 -13.140 1.00 0.00 C ATOM 227 CE1 PHE A 28 21.420 -9.620 -12.310 1.00 0.00 C ATOM 228 CE2 PHE A 28 20.480 -11.520 -13.520 1.00 0.00 C ATOM 229 CZ PHE A 28 20.410 -10.170 -13.120 1.00 0.00 C ATOM 0 H PHE A 28 25.157 -12.726 -13.930 1.00 0.00 H new ATOM 0 HA PHE A 28 25.081 -10.991 -11.588 1.00 0.00 H new ATOM 0 HB2 PHE A 28 23.744 -13.581 -12.453 1.00 0.00 H new ATOM 0 HB3 PHE A 28 23.560 -12.938 -10.833 1.00 0.00 H new ATOM 0 HD1 PHE A 28 23.341 -9.962 -11.383 1.00 0.00 H new ATOM 0 HD2 PHE A 28 21.630 -13.356 -13.440 1.00 0.00 H new ATOM 0 HE1 PHE A 28 21.337 -8.603 -11.957 1.00 0.00 H new ATOM 0 HE2 PHE A 28 19.689 -11.944 -14.120 1.00 0.00 H new ATOM 0 HZ PHE A 28 19.579 -9.557 -13.436 1.00 0.00 H new ATOM 231 N PRO A 29 26.990 -11.990 -10.330 1.00 0.00 N ATOM 232 CA PRO A 29 28.020 -12.570 -9.460 1.00 0.00 C ATOM 233 C PRO A 29 27.400 -13.260 -8.230 1.00 0.00 C ATOM 234 O PRO A 29 27.870 -14.310 -7.800 1.00 0.00 O ATOM 235 CB PRO A 29 28.930 -11.400 -9.080 1.00 0.00 C ATOM 236 CG PRO A 29 28.040 -10.160 -9.170 1.00 0.00 C ATOM 237 CD PRO A 29 27.000 -10.510 -10.240 1.00 0.00 C ATOM 0 HA PRO A 29 28.583 -13.357 -9.962 1.00 0.00 H new ATOM 0 HB2 PRO A 29 29.333 -11.524 -8.075 1.00 0.00 H new ATOM 0 HB3 PRO A 29 29.780 -11.325 -9.758 1.00 0.00 H new ATOM 0 HG2 PRO A 29 27.566 -9.941 -8.213 1.00 0.00 H new ATOM 0 HG3 PRO A 29 28.616 -9.278 -9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 29 26.016 -10.129 -9.967 1.00 0.00 H new ATOM 0 HD3 PRO A 29 27.261 -10.062 -11.199 1.00 0.00 H new ATOM 238 N TYR A 30 26.330 -12.660 -7.720 1.00 0.00 N ATOM 239 CA TYR A 30 25.550 -13.220 -6.610 1.00 0.00 C ATOM 240 C TYR A 30 24.630 -14.350 -7.070 1.00 0.00 C ATOM 241 O TYR A 30 24.430 -14.570 -8.260 1.00 0.00 O ATOM 242 CB TYR A 30 24.740 -12.100 -5.930 1.00 0.00 C ATOM 243 CG TYR A 30 24.990 -12.000 -4.420 1.00 0.00 C ATOM 244 CD1 TYR A 30 25.560 -13.070 -3.690 1.00 0.00 C ATOM 245 CD2 TYR A 30 24.730 -10.750 -3.810 1.00 0.00 C ATOM 246 CE1 TYR A 30 25.930 -12.870 -2.340 1.00 0.00 C ATOM 247 CE2 TYR A 30 25.090 -10.560 -2.460 1.00 0.00 C ATOM 248 CZ TYR A 30 25.690 -11.610 -1.750 1.00 0.00 C ATOM 249 OH TYR A 30 26.030 -11.430 -0.450 1.00 0.00 O ATOM 0 H TYR A 30 25.974 -11.768 -8.063 1.00 0.00 H new ATOM 0 HA TYR A 30 26.246 -13.651 -5.891 1.00 0.00 H new ATOM 0 HB2 TYR A 30 24.989 -11.147 -6.396 1.00 0.00 H new ATOM 0 HB3 TYR A 30 23.678 -12.272 -6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 30 25.711 -14.031 -4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 30 24.263 -9.953 -4.370 1.00 0.00 H new ATOM 0 HE1 TYR A 30 26.387 -13.666 -1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 30 24.905 -9.612 -1.976 1.00 0.00 H new ATOM 0 HH TYR A 30 26.250 -10.487 -0.297 1.00 0.00 H new ATOM 252 N SER A 31 24.070 -15.060 -6.090 1.00 0.00 N ATOM 253 CA SER A 31 23.040 -16.090 -6.320 1.00 0.00 C ATOM 254 C SER A 31 21.640 -15.640 -5.890 1.00 0.00 C ATOM 255 O SER A 31 20.710 -16.430 -5.740 1.00 0.00 O ATOM 256 CB SER A 31 23.380 -17.400 -5.610 1.00 0.00 C ATOM 257 OG SER A 31 24.000 -18.290 -6.530 1.00 0.00 O ATOM 0 H SER A 31 24.315 -14.941 -5.107 1.00 0.00 H new ATOM 0 HA SER A 31 23.031 -16.252 -7.398 1.00 0.00 H new ATOM 0 HB2 SER A 31 24.046 -17.208 -4.768 1.00 0.00 H new ATOM 0 HB3 SER A 31 22.475 -17.852 -5.204 1.00 0.00 H new ATOM 0 HG SER A 31 24.220 -19.130 -6.075 1.00 0.00 H new ATOM 260 N GLN A 32 21.500 -14.330 -5.740 1.00 0.00 N ATOM 261 CA GLN A 32 20.220 -13.710 -5.350 1.00 0.00 C ATOM 262 C GLN A 32 19.580 -12.870 -6.460 1.00 0.00 C ATOM 263 O GLN A 32 18.630 -12.130 -6.230 1.00 0.00 O ATOM 264 CB GLN A 32 20.430 -12.880 -4.090 1.00 0.00 C ATOM 265 CG GLN A 32 19.640 -13.540 -2.960 1.00 0.00 C ATOM 266 CD GLN A 32 18.790 -12.520 -2.210 1.00 0.00 C ATOM 267 OE1 GLN A 32 18.110 -11.680 -2.800 1.00 0.00 O ATOM 268 NE2 GLN A 32 18.840 -12.570 -0.890 1.00 0.00 N ATOM 0 H GLN A 32 22.258 -13.663 -5.882 1.00 0.00 H new ATOM 0 HA GLN A 32 19.514 -14.518 -5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 32 21.489 -12.830 -3.837 1.00 0.00 H new ATOM 0 HB3 GLN A 32 20.091 -11.856 -4.246 1.00 0.00 H new ATOM 0 HG2 GLN A 32 18.999 -14.321 -3.369 1.00 0.00 H new ATOM 0 HG3 GLN A 32 20.328 -14.024 -2.267 1.00 0.00 H new ATOM 0 HE21 GLN A 32 19.412 -13.277 -0.428 1.00 0.00 H new ATOM 0 HE22 GLN A 32 18.307 -11.902 -0.334 1.00 0.00 H new ATOM 272 N ASP A 33 20.110 -13.070 -7.650 1.00 0.00 N ATOM 273 CA ASP A 33 19.780 -12.320 -8.860 1.00 0.00 C ATOM 274 C ASP A 33 19.480 -13.230 -10.050 1.00 0.00 C ATOM 275 O ASP A 33 20.350 -13.950 -10.540 1.00 0.00 O ATOM 276 CB ASP A 33 20.890 -11.290 -9.120 1.00 0.00 C ATOM 277 CG ASP A 33 22.340 -11.790 -9.030 1.00 0.00 C ATOM 278 OD1 ASP A 33 22.530 -13.010 -8.920 1.00 0.00 O ATOM 279 OD2 ASP A 33 23.240 -10.930 -8.970 1.00 0.00 O ATOM 0 H ASP A 33 20.814 -13.790 -7.814 1.00 0.00 H new ATOM 0 HA ASP A 33 18.847 -11.776 -8.711 1.00 0.00 H new ATOM 0 HB2 ASP A 33 20.737 -10.871 -10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.768 -10.474 -8.408 1.00 0.00 H new ATOM 281 N GLY A 34 18.190 -13.260 -10.370 1.00 0.00 N ATOM 282 CA GLY A 34 17.620 -14.130 -11.430 1.00 0.00 C ATOM 283 C GLY A 34 16.450 -15.000 -10.940 1.00 0.00 C ATOM 284 O GLY A 34 15.840 -15.740 -11.710 1.00 0.00 O ATOM 0 H GLY A 34 17.492 -12.680 -9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.279 -13.507 -12.257 1.00 0.00 H new ATOM 0 HA3 GLY A 34 18.406 -14.777 -11.821 1.00 0.00 H new ATOM 286 N VAL A 35 16.130 -14.850 -9.660 1.00 0.00 N ATOM 287 CA VAL A 35 14.980 -15.520 -9.020 1.00 0.00 C ATOM 288 C VAL A 35 13.750 -14.620 -9.080 1.00 0.00 C ATOM 289 O VAL A 35 13.880 -13.400 -9.000 1.00 0.00 O ATOM 290 CB VAL A 35 15.300 -15.930 -7.570 1.00 0.00 C ATOM 291 CG1 VAL A 35 16.410 -16.990 -7.530 1.00 0.00 C ATOM 292 CG2 VAL A 35 15.710 -14.760 -6.660 1.00 0.00 C ATOM 0 H VAL A 35 16.660 -14.256 -9.022 1.00 0.00 H new ATOM 0 HA VAL A 35 14.768 -16.436 -9.572 1.00 0.00 H new ATOM 0 HB VAL A 35 14.364 -16.333 -7.183 1.00 0.00 H new ATOM 0 HG11 VAL A 35 16.616 -17.262 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 35 16.089 -17.874 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 35 17.314 -16.587 -7.987 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.918 -15.134 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.604 -14.283 -7.062 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.899 -14.033 -6.615 1.00 0.00 H new ATOM 294 N VAL A 36 12.590 -15.260 -9.220 1.00 0.00 N ATOM 295 CA VAL A 36 11.270 -14.600 -9.230 1.00 0.00 C ATOM 296 C VAL A 36 10.860 -14.230 -7.790 1.00 0.00 C ATOM 297 O VAL A 36 11.350 -14.790 -6.810 1.00 0.00 O ATOM 298 CB VAL A 36 10.240 -15.470 -9.980 1.00 0.00 C ATOM 299 CG1 VAL A 36 8.760 -15.160 -9.720 1.00 0.00 C ATOM 300 CG2 VAL A 36 10.440 -15.340 -11.490 1.00 0.00 C ATOM 0 H VAL A 36 12.532 -16.272 -9.332 1.00 0.00 H new ATOM 0 HA VAL A 36 11.317 -13.662 -9.783 1.00 0.00 H new ATOM 0 HB VAL A 36 10.435 -16.469 -9.590 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.138 -15.838 -10.304 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.542 -15.290 -8.660 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.547 -14.131 -10.011 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.707 -15.958 -12.009 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.311 -14.299 -11.786 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.445 -15.670 -11.754 1.00 0.00 H new ATOM 302 N PHE A 37 9.970 -13.260 -7.720 1.00 0.00 N ATOM 303 CA PHE A 37 9.390 -12.810 -6.440 1.00 0.00 C ATOM 304 C PHE A 37 7.890 -12.560 -6.620 1.00 0.00 C ATOM 305 O PHE A 37 7.490 -11.430 -6.830 1.00 0.00 O ATOM 306 CB PHE A 37 10.130 -11.530 -6.040 1.00 0.00 C ATOM 307 CG PHE A 37 9.700 -10.970 -4.680 1.00 0.00 C ATOM 308 CD1 PHE A 37 10.100 -11.630 -3.510 1.00 0.00 C ATOM 309 CD2 PHE A 37 8.900 -9.800 -4.620 1.00 0.00 C ATOM 310 CE1 PHE A 37 9.670 -11.140 -2.260 1.00 0.00 C ATOM 311 CE2 PHE A 37 8.500 -9.300 -3.360 1.00 0.00 C ATOM 312 CZ PHE A 37 8.870 -9.980 -2.180 1.00 0.00 C ATOM 0 H PHE A 37 9.621 -12.755 -8.535 1.00 0.00 H new ATOM 0 HA PHE A 37 9.502 -13.560 -5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 37 11.201 -11.732 -6.018 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.964 -10.771 -6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.731 -12.505 -3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.600 -9.297 -5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.955 -11.657 -1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.911 -8.397 -3.300 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.542 -9.614 -1.218 1.00 0.00 H new ATOM 314 N GLN A 38 7.040 -13.570 -6.460 1.00 0.00 N ATOM 315 CA GLN A 38 5.580 -13.380 -6.640 1.00 0.00 C ATOM 316 C GLN A 38 4.920 -12.580 -5.490 1.00 0.00 C ATOM 317 O GLN A 38 3.940 -12.990 -4.880 1.00 0.00 O ATOM 318 CB GLN A 38 4.890 -14.730 -6.830 1.00 0.00 C ATOM 319 CG GLN A 38 3.490 -14.510 -7.400 1.00 0.00 C ATOM 320 CD GLN A 38 2.360 -15.100 -6.550 1.00 0.00 C ATOM 321 OE1 GLN A 38 2.460 -16.140 -5.920 1.00 0.00 O ATOM 322 NE2 GLN A 38 1.210 -14.460 -6.620 1.00 0.00 N ATOM 0 H GLN A 38 7.318 -14.519 -6.210 1.00 0.00 H new ATOM 0 HA GLN A 38 5.450 -12.778 -7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.474 -15.357 -7.503 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.828 -15.256 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.321 -13.439 -7.514 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.444 -14.947 -8.397 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.141 -13.591 -7.150 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.389 -14.833 -6.144 1.00 0.00 H new ATOM 326 N ASN A 39 5.530 -11.430 -5.180 1.00 0.00 N ATOM 327 CA ASN A 39 5.200 -10.550 -4.060 1.00 0.00 C ATOM 328 C ASN A 39 4.620 -11.350 -2.890 1.00 0.00 C ATOM 329 O ASN A 39 3.470 -11.190 -2.490 1.00 0.00 O ATOM 330 CB ASN A 39 4.280 -9.430 -4.560 1.00 0.00 C ATOM 331 CG ASN A 39 3.850 -8.520 -3.420 1.00 0.00 C ATOM 332 OD1 ASN A 39 4.530 -8.350 -2.410 1.00 0.00 O ATOM 333 ND2 ASN A 39 2.740 -7.850 -3.610 1.00 0.00 N ATOM 0 H ASN A 39 6.308 -11.072 -5.735 1.00 0.00 H new ATOM 0 HA ASN A 39 6.101 -10.079 -3.667 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.796 -8.845 -5.321 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.400 -9.864 -5.034 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.427 -7.174 -2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.189 -8.005 -4.454 1.00 0.00 H new ATOM 337 N ARG A 40 5.400 -12.360 -2.490 1.00 0.00 N ATOM 338 CA ARG A 40 4.980 -13.280 -1.410 1.00 0.00 C ATOM 339 C ARG A 40 4.660 -12.540 -0.110 1.00 0.00 C ATOM 340 O ARG A 40 3.850 -12.990 0.700 1.00 0.00 O ATOM 341 CB ARG A 40 6.000 -14.380 -1.130 1.00 0.00 C ATOM 342 CG ARG A 40 7.450 -13.910 -1.050 1.00 0.00 C ATOM 343 CD ARG A 40 8.080 -14.090 -2.430 1.00 0.00 C ATOM 344 NE ARG A 40 9.450 -14.590 -2.210 1.00 0.00 N ATOM 345 CZ ARG A 40 9.750 -15.870 -1.990 1.00 0.00 C ATOM 346 NH1 ARG A 40 8.810 -16.800 -2.010 1.00 0.00 N ATOM 347 NH2 ARG A 40 11.000 -16.230 -1.750 1.00 0.00 N ATOM 0 H ARG A 40 6.316 -12.566 -2.888 1.00 0.00 H new ATOM 0 HA ARG A 40 4.070 -13.751 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.739 -14.866 -0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.921 -15.135 -1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.496 -12.865 -0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.997 -14.486 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.503 -14.794 -3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.096 -13.146 -2.974 1.00 0.00 H new ATOM 0 HE ARG A 40 10.215 -13.915 -2.227 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.841 -16.542 -2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.054 -17.776 -1.840 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.739 -15.527 -1.733 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.225 -17.211 -1.582 1.00 0.00 H new ATOM 354 N GLU A 41 5.230 -11.340 -0.020 1.00 0.00 N ATOM 355 CA GLU A 41 4.950 -10.410 1.080 1.00 0.00 C ATOM 356 C GLU A 41 3.650 -9.610 0.910 1.00 0.00 C ATOM 357 O GLU A 41 3.280 -8.900 1.830 1.00 0.00 O ATOM 358 CB GLU A 41 6.130 -9.470 1.270 1.00 0.00 C ATOM 359 CG GLU A 41 6.830 -9.890 2.560 1.00 0.00 C ATOM 360 CD GLU A 41 7.870 -8.870 2.990 1.00 0.00 C ATOM 361 OE1 GLU A 41 8.640 -8.430 2.110 1.00 0.00 O ATOM 362 OE2 GLU A 41 7.850 -8.550 4.200 1.00 0.00 O ATOM 0 H GLU A 41 5.897 -10.983 -0.704 1.00 0.00 H new ATOM 0 HA GLU A 41 4.804 -11.022 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.813 -9.532 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.793 -8.435 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.091 -10.013 3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.308 -10.859 2.416 1.00 0.00 H new ATOM 364 N SER A 42 3.000 -9.710 -0.250 1.00 0.00 N ATOM 365 CA SER A 42 1.780 -8.940 -0.610 1.00 0.00 C ATOM 366 C SER A 42 1.890 -7.450 -0.210 1.00 0.00 C ATOM 367 O SER A 42 0.960 -6.790 0.230 1.00 0.00 O ATOM 368 CB SER A 42 0.550 -9.640 -0.010 1.00 0.00 C ATOM 369 OG SER A 42 -0.660 -8.980 -0.400 1.00 0.00 O ATOM 0 H SER A 42 3.304 -10.340 -0.992 1.00 0.00 H new ATOM 0 HA SER A 42 1.669 -8.928 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.523 -10.679 -0.338 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.628 -9.651 1.077 1.00 0.00 H new ATOM 0 HG SER A 42 -0.564 -8.014 -0.264 1.00 0.00 H new ATOM 372 N VAL A 43 3.110 -6.940 -0.390 1.00 0.00 N ATOM 373 CA VAL A 43 3.440 -5.540 -0.030 1.00 0.00 C ATOM 374 C VAL A 43 3.780 -4.710 -1.280 1.00 0.00 C ATOM 375 O VAL A 43 3.780 -3.490 -1.280 1.00 0.00 O ATOM 376 CB VAL A 43 4.540 -5.520 1.060 1.00 0.00 C ATOM 377 CG1 VAL A 43 5.090 -4.120 1.360 1.00 0.00 C ATOM 378 CG2 VAL A 43 3.970 -6.010 2.400 1.00 0.00 C ATOM 0 H VAL A 43 3.891 -7.466 -0.781 1.00 0.00 H new ATOM 0 HA VAL A 43 2.565 -5.056 0.404 1.00 0.00 H new ATOM 0 HB VAL A 43 5.331 -6.156 0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.856 -4.188 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.525 -3.698 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.280 -3.478 1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.754 -5.991 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.152 -5.358 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.599 -7.029 2.287 1.00 0.00 H new ATOM 380 N LEU A 44 4.060 -5.430 -2.360 1.00 0.00 N ATOM 381 CA LEU A 44 4.440 -4.820 -3.630 1.00 0.00 C ATOM 382 C LEU A 44 3.190 -4.520 -4.470 1.00 0.00 C ATOM 383 O LEU A 44 2.120 -5.060 -4.180 1.00 0.00 O ATOM 384 CB LEU A 44 5.400 -5.800 -4.310 1.00 0.00 C ATOM 385 CG LEU A 44 6.850 -5.730 -3.820 1.00 0.00 C ATOM 386 CD1 LEU A 44 7.610 -4.730 -4.670 1.00 0.00 C ATOM 387 CD2 LEU A 44 7.010 -5.260 -2.400 1.00 0.00 C ATOM 0 H LEU A 44 4.030 -6.449 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 44 4.938 -3.860 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.029 -6.814 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.386 -5.614 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 44 7.224 -6.751 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.644 -4.673 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.589 -5.048 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.144 -3.749 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.068 -5.242 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.594 -4.257 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.483 -5.940 -1.730 1.00 0.00 H new ATOM 389 N PRO A 45 3.300 -3.580 -5.420 1.00 0.00 N ATOM 390 CA PRO A 45 2.160 -3.250 -6.300 1.00 0.00 C ATOM 391 C PRO A 45 1.910 -4.410 -7.270 1.00 0.00 C ATOM 392 O PRO A 45 2.210 -5.570 -6.960 1.00 0.00 O ATOM 393 CB PRO A 45 2.580 -1.930 -6.960 1.00 0.00 C ATOM 394 CG PRO A 45 4.090 -1.990 -7.000 1.00 0.00 C ATOM 395 CD PRO A 45 4.470 -2.740 -5.730 1.00 0.00 C ATOM 0 HA PRO A 45 1.204 -3.120 -5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.160 -1.836 -7.961 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.232 -1.071 -6.386 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.444 -2.510 -7.890 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.528 -0.992 -7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.363 -3.347 -5.882 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.688 -2.050 -4.915 1.00 0.00 H new ATOM 396 N THR A 46 1.210 -4.080 -8.360 1.00 0.00 N ATOM 397 CA THR A 46 0.820 -5.020 -9.420 1.00 0.00 C ATOM 398 C THR A 46 0.190 -6.260 -8.760 1.00 0.00 C ATOM 399 O THR A 46 -0.580 -6.100 -7.810 1.00 0.00 O ATOM 400 CB THR A 46 2.060 -5.260 -10.320 1.00 0.00 C ATOM 401 OG1 THR A 46 2.610 -4.000 -10.680 1.00 0.00 O ATOM 402 CG2 THR A 46 1.730 -5.990 -11.620 1.00 0.00 C ATOM 0 H THR A 46 0.890 -3.128 -8.536 1.00 0.00 H new ATOM 0 HA THR A 46 0.048 -4.643 -10.091 1.00 0.00 H new ATOM 0 HB THR A 46 2.750 -5.878 -9.745 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.397 -4.137 -11.248 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.641 -6.126 -12.203 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.298 -6.964 -11.391 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.015 -5.402 -12.196 1.00 0.00 H new ATOM 405 N GLN A 47 0.630 -7.460 -9.160 1.00 0.00 N ATOM 406 CA GLN A 47 0.140 -8.770 -8.670 1.00 0.00 C ATOM 407 C GLN A 47 0.680 -9.910 -9.550 1.00 0.00 C ATOM 408 O GLN A 47 0.890 -11.020 -9.060 1.00 0.00 O ATOM 409 CB GLN A 47 -1.390 -8.840 -8.660 1.00 0.00 C ATOM 410 CG GLN A 47 -1.890 -10.210 -8.210 1.00 0.00 C ATOM 411 CD GLN A 47 -3.330 -10.200 -7.730 1.00 0.00 C ATOM 412 OE1 GLN A 47 -3.840 -9.270 -7.120 1.00 0.00 O ATOM 413 NE2 GLN A 47 -3.980 -11.320 -7.940 1.00 0.00 N ATOM 0 H GLN A 47 1.365 -7.557 -9.860 1.00 0.00 H new ATOM 0 HA GLN A 47 0.502 -8.881 -7.648 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.785 -8.072 -7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.771 -8.624 -9.658 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.796 -10.913 -9.038 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.250 -10.576 -7.407 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.533 -12.081 -8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.932 -11.430 -7.592 1.00 0.00 H new ATOM 417 N SER A 48 0.740 -9.640 -10.850 1.00 0.00 N ATOM 418 CA SER A 48 1.210 -10.600 -11.870 1.00 0.00 C ATOM 419 C SER A 48 2.360 -11.490 -11.370 1.00 0.00 C ATOM 420 O SER A 48 3.230 -11.080 -10.590 1.00 0.00 O ATOM 421 CB SER A 48 1.620 -9.880 -13.150 1.00 0.00 C ATOM 422 OG SER A 48 2.450 -8.760 -12.840 1.00 0.00 O ATOM 0 H SER A 48 0.462 -8.740 -11.240 1.00 0.00 H new ATOM 0 HA SER A 48 0.366 -11.256 -12.083 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.153 -10.567 -13.807 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.733 -9.547 -13.689 1.00 0.00 H new ATOM 0 HG SER A 48 3.004 -8.539 -13.617 1.00 0.00 H new ATOM 425 N TYR A 49 2.250 -12.740 -11.760 1.00 0.00 N ATOM 426 CA TYR A 49 3.170 -13.800 -11.320 1.00 0.00 C ATOM 427 C TYR A 49 4.370 -13.820 -12.280 1.00 0.00 C ATOM 428 O TYR A 49 4.190 -13.780 -13.490 1.00 0.00 O ATOM 429 CB TYR A 49 2.420 -15.140 -11.330 1.00 0.00 C ATOM 430 CG TYR A 49 3.280 -16.350 -10.940 1.00 0.00 C ATOM 431 CD1 TYR A 49 4.260 -16.830 -11.850 1.00 0.00 C ATOM 432 CD2 TYR A 49 3.100 -16.960 -9.680 1.00 0.00 C ATOM 433 CE1 TYR A 49 5.090 -17.890 -11.480 1.00 0.00 C ATOM 434 CE2 TYR A 49 3.930 -18.030 -9.310 1.00 0.00 C ATOM 435 CZ TYR A 49 4.920 -18.480 -10.210 1.00 0.00 C ATOM 436 OH TYR A 49 5.710 -19.530 -9.870 1.00 0.00 O ATOM 0 H TYR A 49 1.521 -13.066 -12.394 1.00 0.00 H new ATOM 0 HA TYR A 49 3.532 -13.620 -10.308 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.575 -15.075 -10.645 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.011 -15.306 -12.327 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.363 -16.376 -12.825 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.332 -16.607 -9.008 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.850 -18.253 -12.156 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.812 -18.504 -8.347 1.00 0.00 H new ATOM 0 HH TYR A 49 5.481 -19.833 -8.966 1.00 0.00 H new ATOM 439 N GLY A 50 5.560 -13.860 -11.690 1.00 0.00 N ATOM 440 CA GLY A 50 6.810 -13.970 -12.460 1.00 0.00 C ATOM 441 C GLY A 50 7.320 -12.620 -12.990 1.00 0.00 C ATOM 442 O GLY A 50 8.510 -12.440 -13.180 1.00 0.00 O ATOM 0 H GLY A 50 5.693 -13.818 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.578 -14.418 -11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.652 -14.646 -13.300 1.00 0.00 H new ATOM 444 N TYR A 51 6.400 -11.660 -13.070 1.00 0.00 N ATOM 445 CA TYR A 51 6.680 -10.270 -13.470 1.00 0.00 C ATOM 446 C TYR A 51 7.690 -9.560 -12.550 1.00 0.00 C ATOM 447 O TYR A 51 8.200 -8.490 -12.870 1.00 0.00 O ATOM 448 CB TYR A 51 5.360 -9.510 -13.410 1.00 0.00 C ATOM 449 CG TYR A 51 5.150 -8.600 -14.620 1.00 0.00 C ATOM 450 CD1 TYR A 51 4.950 -9.200 -15.890 1.00 0.00 C ATOM 451 CD2 TYR A 51 5.090 -7.200 -14.440 1.00 0.00 C ATOM 452 CE1 TYR A 51 4.690 -8.380 -17.000 1.00 0.00 C ATOM 453 CE2 TYR A 51 4.830 -6.380 -15.550 1.00 0.00 C ATOM 454 CZ TYR A 51 4.650 -6.980 -16.820 1.00 0.00 C ATOM 455 OH TYR A 51 4.560 -6.190 -17.920 1.00 0.00 O ATOM 0 H TYR A 51 5.416 -11.824 -12.855 1.00 0.00 H new ATOM 0 HA TYR A 51 7.119 -10.288 -14.467 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.537 -10.222 -13.349 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.331 -8.911 -12.500 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.997 -10.273 -16.002 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.242 -6.767 -13.463 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.523 -8.813 -17.975 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.768 -5.308 -15.437 1.00 0.00 H new ATOM 0 HH TYR A 51 4.541 -5.249 -17.646 1.00 0.00 H new ATOM 458 N TYR A 52 7.830 -10.120 -11.360 1.00 0.00 N ATOM 459 CA TYR A 52 8.740 -9.660 -10.320 1.00 0.00 C ATOM 460 C TYR A 52 9.940 -10.590 -10.260 1.00 0.00 C ATOM 461 O TYR A 52 9.810 -11.790 -10.510 1.00 0.00 O ATOM 462 CB TYR A 52 8.020 -9.840 -9.020 1.00 0.00 C ATOM 463 CG TYR A 52 7.070 -8.730 -8.630 1.00 0.00 C ATOM 464 CD1 TYR A 52 5.800 -8.630 -9.230 1.00 0.00 C ATOM 465 CD2 TYR A 52 7.560 -7.830 -7.670 1.00 0.00 C ATOM 466 CE1 TYR A 52 4.970 -7.560 -8.850 1.00 0.00 C ATOM 467 CE2 TYR A 52 6.740 -6.750 -7.320 1.00 0.00 C ATOM 468 CZ TYR A 52 5.470 -6.630 -7.910 1.00 0.00 C ATOM 469 OH TYR A 52 4.750 -5.530 -7.560 1.00 0.00 O ATOM 0 H TYR A 52 7.292 -10.940 -11.079 1.00 0.00 H new ATOM 0 HA TYR A 52 9.050 -8.632 -10.510 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.458 -10.773 -9.064 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.762 -9.952 -8.229 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.473 -9.354 -9.961 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.532 -7.965 -7.219 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.979 -7.452 -9.265 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.080 -6.017 -6.604 1.00 0.00 H new ATOM 0 HH TYR A 52 3.940 -5.807 -7.084 1.00 0.00 H new ATOM 472 N HIS A 53 10.940 -10.080 -9.540 1.00 0.00 N ATOM 473 CA HIS A 53 12.220 -10.770 -9.350 1.00 0.00 C ATOM 474 C HIS A 53 13.030 -10.130 -8.230 1.00 0.00 C ATOM 475 O HIS A 53 12.680 -9.060 -7.720 1.00 0.00 O ATOM 476 CB HIS A 53 13.000 -10.740 -10.660 1.00 0.00 C ATOM 477 CG HIS A 53 12.540 -11.640 -11.800 1.00 0.00 C ATOM 478 ND1 HIS A 53 11.770 -11.270 -12.820 1.00 0.00 N ATOM 479 CD2 HIS A 53 12.880 -12.910 -11.980 1.00 0.00 C ATOM 480 CE1 HIS A 53 11.620 -12.320 -13.620 1.00 0.00 C ATOM 481 NE2 HIS A 53 12.310 -13.330 -13.090 1.00 0.00 N ATOM 0 H HIS A 53 10.887 -9.176 -9.071 1.00 0.00 H new ATOM 0 HA HIS A 53 12.027 -11.803 -9.062 1.00 0.00 H new ATOM 0 HB2 HIS A 53 12.995 -9.713 -11.025 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.036 -10.993 -10.435 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.513 -13.496 -11.330 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.044 -12.350 -14.533 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.384 -14.270 -13.479 1.00 0.00 H new ATOM 485 N GLU A 54 14.060 -10.840 -7.790 1.00 0.00 N ATOM 486 CA GLU A 54 14.910 -10.450 -6.650 1.00 0.00 C ATOM 487 C GLU A 54 16.370 -10.400 -7.080 1.00 0.00 C ATOM 488 O GLU A 54 16.790 -11.130 -7.980 1.00 0.00 O ATOM 489 CB GLU A 54 14.880 -11.470 -5.520 1.00 0.00 C ATOM 490 CG GLU A 54 13.460 -11.870 -5.150 1.00 0.00 C ATOM 491 CD GLU A 54 13.410 -13.030 -4.170 1.00 0.00 C ATOM 492 OE1 GLU A 54 14.300 -13.120 -3.300 1.00 0.00 O ATOM 493 OE2 GLU A 54 12.390 -13.750 -4.210 1.00 0.00 O ATOM 0 H GLU A 54 14.342 -11.722 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 54 14.523 -9.488 -6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.440 -12.356 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.380 -11.056 -4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.947 -11.012 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.917 -12.142 -6.055 1.00 0.00 H new ATOM 495 N TYR A 55 17.040 -9.410 -6.490 1.00 0.00 N ATOM 496 CA TYR A 55 18.430 -9.080 -6.830 1.00 0.00 C ATOM 497 C TYR A 55 19.080 -8.330 -5.670 1.00 0.00 C ATOM 498 O TYR A 55 19.220 -7.110 -5.680 1.00 0.00 O ATOM 499 CB TYR A 55 18.440 -8.190 -8.080 1.00 0.00 C ATOM 500 CG TYR A 55 17.660 -8.660 -9.300 1.00 0.00 C ATOM 501 CD1 TYR A 55 16.310 -8.320 -9.370 1.00 0.00 C ATOM 502 CD2 TYR A 55 18.270 -9.510 -10.250 1.00 0.00 C ATOM 503 CE1 TYR A 55 15.540 -8.900 -10.380 1.00 0.00 C ATOM 504 CE2 TYR A 55 17.490 -10.080 -11.270 1.00 0.00 C ATOM 505 CZ TYR A 55 16.120 -9.760 -11.330 1.00 0.00 C ATOM 506 OH TYR A 55 15.390 -10.110 -12.420 1.00 0.00 O ATOM 0 H TYR A 55 16.639 -8.814 -5.765 1.00 0.00 H new ATOM 0 HA TYR A 55 18.987 -9.997 -7.022 1.00 0.00 H new ATOM 0 HB2 TYR A 55 18.056 -7.211 -7.795 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.478 -8.050 -8.381 1.00 0.00 H new ATOM 0 HD1 TYR A 55 15.873 -7.629 -8.664 1.00 0.00 H new ATOM 0 HD2 TYR A 55 19.328 -9.720 -10.192 1.00 0.00 H new ATOM 0 HE1 TYR A 55 14.483 -8.685 -10.433 1.00 0.00 H new ATOM 0 HE2 TYR A 55 17.932 -10.750 -11.993 1.00 0.00 H new ATOM 0 HH TYR A 55 15.919 -10.707 -12.990 1.00 0.00 H new ATOM 509 N THR A 56 19.360 -9.060 -4.590 1.00 0.00 N ATOM 510 CA THR A 56 20.040 -8.460 -3.430 1.00 0.00 C ATOM 511 C THR A 56 21.220 -7.570 -3.840 1.00 0.00 C ATOM 512 O THR A 56 21.960 -7.870 -4.780 1.00 0.00 O ATOM 513 CB THR A 56 20.450 -9.520 -2.390 1.00 0.00 C ATOM 514 OG1 THR A 56 19.690 -9.270 -1.230 1.00 0.00 O ATOM 515 CG2 THR A 56 21.910 -9.640 -1.980 1.00 0.00 C ATOM 0 H THR A 56 19.134 -10.049 -4.489 1.00 0.00 H new ATOM 0 HA THR A 56 19.313 -7.807 -2.948 1.00 0.00 H new ATOM 0 HB THR A 56 20.264 -10.469 -2.894 1.00 0.00 H new ATOM 0 HG1 THR A 56 19.933 -8.395 -0.862 1.00 0.00 H new ATOM 0 HG21 THR A 56 22.016 -10.435 -1.242 1.00 0.00 H new ATOM 0 HG22 THR A 56 22.516 -9.874 -2.855 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.245 -8.697 -1.549 1.00 0.00 H new ATOM 518 N VAL A 57 21.380 -6.510 -3.080 1.00 0.00 N ATOM 519 CA VAL A 57 22.500 -5.600 -3.300 1.00 0.00 C ATOM 520 C VAL A 57 23.650 -5.980 -2.390 1.00 0.00 C ATOM 521 O VAL A 57 23.510 -5.940 -1.170 1.00 0.00 O ATOM 522 CB VAL A 57 22.100 -4.130 -3.140 1.00 0.00 C ATOM 523 CG1 VAL A 57 21.120 -3.790 -4.230 1.00 0.00 C ATOM 524 CG2 VAL A 57 21.440 -3.760 -1.820 1.00 0.00 C ATOM 0 H VAL A 57 20.761 -6.252 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 57 22.826 -5.703 -4.335 1.00 0.00 H new ATOM 0 HB VAL A 57 23.036 -3.573 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.820 -2.746 -4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.588 -3.948 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.242 -4.429 -4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.201 -2.697 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.524 -4.338 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.122 -3.980 -0.998 1.00 0.00 H new ATOM 526 N ILE A 58 24.730 -6.430 -3.020 1.00 0.00 N ATOM 527 CA ILE A 58 26.010 -6.720 -2.330 1.00 0.00 C ATOM 528 C ILE A 58 26.310 -5.590 -1.330 1.00 0.00 C ATOM 529 O ILE A 58 25.860 -4.470 -1.520 1.00 0.00 O ATOM 530 CB ILE A 58 27.120 -6.970 -3.380 1.00 0.00 C ATOM 531 CG1 ILE A 58 27.560 -8.420 -3.300 1.00 0.00 C ATOM 532 CG2 ILE A 58 28.400 -6.120 -3.260 1.00 0.00 C ATOM 533 CD1 ILE A 58 27.610 -9.050 -4.690 1.00 0.00 C ATOM 0 H ILE A 58 24.756 -6.608 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 58 25.952 -7.636 -1.742 1.00 0.00 H new ATOM 0 HB ILE A 58 26.650 -6.687 -4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 58 28.543 -8.481 -2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 58 26.871 -8.979 -2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 58 29.094 -6.394 -4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 58 28.145 -5.064 -3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 58 28.867 -6.300 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 58 27.928 -10.089 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 58 26.620 -9.008 -5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 58 28.318 -8.503 -5.312 1.00 0.00 H new ATOM 535 N THR A 59 27.130 -5.910 -0.340 1.00 0.00 N ATOM 536 CA THR A 59 27.530 -4.940 0.700 1.00 0.00 C ATOM 537 C THR A 59 28.900 -5.300 1.300 1.00 0.00 C ATOM 538 O THR A 59 29.210 -6.490 1.430 1.00 0.00 O ATOM 539 CB THR A 59 26.380 -4.750 1.700 1.00 0.00 C ATOM 540 OG1 THR A 59 25.500 -3.790 1.110 1.00 0.00 O ATOM 541 CG2 THR A 59 26.810 -4.280 3.090 1.00 0.00 C ATOM 0 H THR A 59 27.540 -6.837 -0.224 1.00 0.00 H new ATOM 0 HA THR A 59 27.696 -3.954 0.266 1.00 0.00 H new ATOM 0 HB THR A 59 25.911 -5.718 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 59 25.568 -3.840 0.134 1.00 0.00 H new ATOM 0 HG21 THR A 59 25.931 -4.174 3.726 1.00 0.00 H new ATOM 0 HG22 THR A 59 27.489 -5.012 3.528 1.00 0.00 H new ATOM 0 HG23 THR A 59 27.317 -3.318 3.008 1.00 0.00 H new ATOM 544 N PRO A 60 29.730 -4.290 1.630 1.00 0.00 N ATOM 545 CA PRO A 60 31.030 -4.540 2.290 1.00 0.00 C ATOM 546 C PRO A 60 30.830 -4.910 3.760 1.00 0.00 C ATOM 547 O PRO A 60 29.860 -4.490 4.390 1.00 0.00 O ATOM 548 CB PRO A 60 31.810 -3.240 2.120 1.00 0.00 C ATOM 549 CG PRO A 60 30.740 -2.160 2.030 1.00 0.00 C ATOM 550 CD PRO A 60 29.540 -2.840 1.390 1.00 0.00 C ATOM 0 HA PRO A 60 31.568 -5.382 1.854 1.00 0.00 H new ATOM 0 HB2 PRO A 60 32.479 -3.066 2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 60 32.427 -3.262 1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 60 30.491 -1.769 3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 60 31.081 -1.317 1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 60 28.608 -2.488 1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 60 29.489 -2.622 0.323 1.00 0.00 H new ATOM 551 N GLY A 61 31.690 -5.820 4.220 1.00 0.00 N ATOM 552 CA GLY A 61 31.630 -6.400 5.580 1.00 0.00 C ATOM 553 C GLY A 61 30.260 -7.040 5.890 1.00 0.00 C ATOM 554 O GLY A 61 29.890 -7.240 7.050 1.00 0.00 O ATOM 0 H GLY A 61 32.460 -6.185 3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 61 32.411 -7.153 5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 61 31.838 -5.621 6.313 1.00 0.00 H new ATOM 556 N ALA A 62 29.540 -7.390 4.820 1.00 0.00 N ATOM 557 CA ALA A 62 28.230 -8.040 4.920 1.00 0.00 C ATOM 558 C ALA A 62 28.510 -9.520 5.130 1.00 0.00 C ATOM 559 O ALA A 62 28.830 -10.240 4.190 1.00 0.00 O ATOM 560 CB ALA A 62 27.400 -7.820 3.650 1.00 0.00 C ATOM 0 H ALA A 62 29.849 -7.231 3.861 1.00 0.00 H new ATOM 0 HA ALA A 62 27.649 -7.622 5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 62 26.434 -8.315 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 62 27.246 -6.752 3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 62 27.929 -8.237 2.793 1.00 0.00 H new ATOM 562 N ARG A 63 28.620 -9.870 6.420 1.00 0.00 N ATOM 563 CA ARG A 63 28.820 -11.270 6.850 1.00 0.00 C ATOM 564 C ARG A 63 27.970 -12.270 6.050 1.00 0.00 C ATOM 565 O ARG A 63 28.360 -13.420 5.850 1.00 0.00 O ATOM 566 CB ARG A 63 28.530 -11.440 8.350 1.00 0.00 C ATOM 567 CG ARG A 63 29.790 -11.180 9.170 1.00 0.00 C ATOM 568 CD ARG A 63 29.600 -10.100 10.240 1.00 0.00 C ATOM 569 NE ARG A 63 29.410 -10.690 11.580 1.00 0.00 N ATOM 570 CZ ARG A 63 28.260 -11.100 12.120 1.00 0.00 C ATOM 571 NH1 ARG A 63 27.110 -11.050 11.460 1.00 0.00 N ATOM 572 NH2 ARG A 63 28.250 -11.590 13.360 1.00 0.00 N ATOM 0 H ARG A 63 28.574 -9.203 7.190 1.00 0.00 H new ATOM 0 HA ARG A 63 29.869 -11.492 6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 63 27.742 -10.751 8.655 1.00 0.00 H new ATOM 0 HB3 ARG A 63 28.164 -12.448 8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 63 30.101 -12.108 9.650 1.00 0.00 H new ATOM 0 HG3 ARG A 63 30.597 -10.881 8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 63 30.469 -9.442 10.252 1.00 0.00 H new ATOM 0 HD3 ARG A 63 28.737 -9.484 9.987 1.00 0.00 H new ATOM 0 HE ARG A 63 30.246 -10.796 12.154 1.00 0.00 H new ATOM 0 HH11 ARG A 63 27.085 -10.689 10.506 1.00 0.00 H new ATOM 0 HH12 ARG A 63 26.251 -11.373 11.906 1.00 0.00 H new ATOM 0 HH21 ARG A 63 29.118 -11.650 13.892 1.00 0.00 H new ATOM 0 HH22 ARG A 63 27.374 -11.905 13.777 1.00 0.00 H new ATOM 579 N THR A 64 26.820 -11.770 5.620 1.00 0.00 N ATOM 580 CA THR A 64 25.840 -12.530 4.820 1.00 0.00 C ATOM 581 C THR A 64 25.530 -11.760 3.510 1.00 0.00 C ATOM 582 O THR A 64 26.330 -10.980 3.000 1.00 0.00 O ATOM 583 CB THR A 64 24.590 -12.740 5.690 1.00 0.00 C ATOM 584 OG1 THR A 64 23.950 -11.480 5.930 1.00 0.00 O ATOM 585 CG2 THR A 64 24.910 -13.450 7.020 1.00 0.00 C ATOM 0 H THR A 64 26.527 -10.812 5.814 1.00 0.00 H new ATOM 0 HA THR A 64 26.229 -13.505 4.527 1.00 0.00 H new ATOM 0 HB THR A 64 23.912 -13.395 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 64 23.153 -11.618 6.483 1.00 0.00 H new ATOM 0 HG21 THR A 64 23.993 -13.574 7.596 1.00 0.00 H new ATOM 0 HG22 THR A 64 25.344 -14.428 6.815 1.00 0.00 H new ATOM 0 HG23 THR A 64 25.619 -12.851 7.591 1.00 0.00 H new ATOM 588 N ARG A 65 24.280 -11.880 3.060 1.00 0.00 N ATOM 589 CA ARG A 65 23.750 -11.140 1.900 1.00 0.00 C ATOM 590 C ARG A 65 23.290 -9.710 2.230 1.00 0.00 C ATOM 591 O ARG A 65 22.880 -8.980 1.340 1.00 0.00 O ATOM 592 CB ARG A 65 22.600 -11.930 1.290 1.00 0.00 C ATOM 593 CG ARG A 65 23.150 -12.590 0.030 1.00 0.00 C ATOM 594 CD ARG A 65 22.310 -13.740 -0.460 1.00 0.00 C ATOM 595 NE ARG A 65 22.350 -14.810 0.540 1.00 0.00 N ATOM 596 CZ ARG A 65 21.730 -15.980 0.450 1.00 0.00 C ATOM 597 NH1 ARG A 65 21.010 -16.300 -0.620 1.00 0.00 N ATOM 598 NH2 ARG A 65 21.830 -16.860 1.440 1.00 0.00 N ATOM 0 H ARG A 65 23.594 -12.500 3.492 1.00 0.00 H new ATOM 0 HA ARG A 65 24.571 -11.033 1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 65 22.229 -12.679 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 65 21.763 -11.275 1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.225 -11.842 -0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 65 24.161 -12.947 0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 65 21.283 -13.415 -0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 65 22.687 -14.102 -1.417 1.00 0.00 H new ATOM 0 HE ARG A 65 22.903 -14.641 1.380 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.925 -15.641 -1.394 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.542 -17.205 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.383 -16.636 2.268 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.354 -17.760 1.373 1.00 0.00 H new ATOM 605 N GLY A 66 23.400 -9.370 3.520 1.00 0.00 N ATOM 606 CA GLY A 66 22.880 -8.100 4.060 1.00 0.00 C ATOM 607 C GLY A 66 21.360 -8.080 3.900 1.00 0.00 C ATOM 608 O GLY A 66 20.770 -8.550 2.930 1.00 0.00 O ATOM 0 H GLY A 66 23.849 -9.962 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 66 23.150 -7.999 5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 66 23.326 -7.256 3.534 1.00 0.00 H new ATOM 610 N THR A 67 20.730 -7.520 4.910 1.00 0.00 N ATOM 611 CA THR A 67 19.280 -7.290 4.900 1.00 0.00 C ATOM 612 C THR A 67 18.820 -6.520 3.640 1.00 0.00 C ATOM 613 O THR A 67 17.760 -6.740 3.070 1.00 0.00 O ATOM 614 CB THR A 67 18.930 -6.550 6.200 1.00 0.00 C ATOM 615 OG1 THR A 67 19.730 -5.380 6.300 1.00 0.00 O ATOM 616 CG2 THR A 67 19.060 -7.450 7.430 1.00 0.00 C ATOM 0 H THR A 67 21.195 -7.208 5.763 1.00 0.00 H new ATOM 0 HA THR A 67 18.746 -8.239 4.856 1.00 0.00 H new ATOM 0 HB THR A 67 17.881 -6.255 6.166 1.00 0.00 H new ATOM 0 HG1 THR A 67 19.510 -4.903 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.803 -6.883 8.325 1.00 0.00 H new ATOM 0 HG22 THR A 67 18.384 -8.300 7.332 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.086 -7.809 7.511 1.00 0.00 H new ATOM 619 N ARG A 68 19.710 -5.720 3.090 1.00 0.00 N ATOM 620 CA ARG A 68 19.500 -5.000 1.830 1.00 0.00 C ATOM 621 C ARG A 68 19.100 -5.950 0.690 1.00 0.00 C ATOM 622 O ARG A 68 19.720 -6.990 0.490 1.00 0.00 O ATOM 623 CB ARG A 68 20.810 -4.320 1.460 1.00 0.00 C ATOM 624 CG ARG A 68 21.170 -3.220 2.440 1.00 0.00 C ATOM 625 CD ARG A 68 22.670 -3.320 2.660 1.00 0.00 C ATOM 626 NE ARG A 68 23.280 -2.000 2.540 1.00 0.00 N ATOM 627 CZ ARG A 68 24.350 -1.580 3.210 1.00 0.00 C ATOM 628 NH1 ARG A 68 24.900 -2.300 4.170 1.00 0.00 N ATOM 629 NH2 ARG A 68 24.860 -0.380 2.960 1.00 0.00 N ATOM 0 H ARG A 68 20.623 -5.542 3.508 1.00 0.00 H new ATOM 0 HA ARG A 68 18.692 -4.281 1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 68 21.609 -5.060 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 68 20.732 -3.902 0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.900 -2.242 2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.630 -3.343 3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 68 22.874 -3.736 3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 68 23.109 -4.000 1.930 1.00 0.00 H new ATOM 0 HE ARG A 68 22.850 -1.344 1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 68 24.505 -3.207 4.417 1.00 0.00 H new ATOM 0 HH12 ARG A 68 25.720 -1.949 4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 68 24.432 0.219 2.255 1.00 0.00 H new ATOM 0 HH22 ARG A 68 25.680 -0.057 3.473 1.00 0.00 H new ATOM 636 N ARG A 69 18.000 -5.600 0.040 1.00 0.00 N ATOM 637 CA ARG A 69 17.420 -6.350 -1.090 1.00 0.00 C ATOM 638 C ARG A 69 16.820 -5.390 -2.110 1.00 0.00 C ATOM 639 O ARG A 69 16.350 -4.310 -1.750 1.00 0.00 O ATOM 640 CB ARG A 69 16.320 -7.290 -0.590 1.00 0.00 C ATOM 641 CG ARG A 69 16.840 -8.570 0.030 1.00 0.00 C ATOM 642 CD ARG A 69 16.680 -9.700 -0.990 1.00 0.00 C ATOM 643 NE ARG A 69 15.680 -10.680 -0.520 1.00 0.00 N ATOM 644 CZ ARG A 69 15.770 -11.460 0.560 1.00 0.00 C ATOM 645 NH1 ARG A 69 16.860 -11.470 1.320 1.00 0.00 N ATOM 646 NH2 ARG A 69 14.750 -12.240 0.900 1.00 0.00 N ATOM 0 H ARG A 69 17.464 -4.767 0.282 1.00 0.00 H new ATOM 0 HA ARG A 69 18.215 -6.930 -1.558 1.00 0.00 H new ATOM 0 HB2 ARG A 69 15.712 -6.763 0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.665 -7.542 -1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 69 17.887 -8.458 0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.289 -8.801 0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 69 16.372 -9.290 -1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 69 17.638 -10.195 -1.147 1.00 0.00 H new ATOM 0 HE ARG A 69 14.832 -10.770 -1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.652 -10.873 1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.904 -12.075 2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.900 -12.242 0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.817 -12.837 1.725 1.00 0.00 H new ATOM 653 N ILE A 70 16.860 -5.850 -3.360 1.00 0.00 N ATOM 654 CA ILE A 70 16.270 -5.150 -4.520 1.00 0.00 C ATOM 655 C ILE A 70 15.250 -6.070 -5.200 1.00 0.00 C ATOM 656 O ILE A 70 15.530 -7.250 -5.420 1.00 0.00 O ATOM 657 CB ILE A 70 17.350 -4.610 -5.480 1.00 0.00 C ATOM 658 CG1 ILE A 70 17.720 -3.210 -4.960 1.00 0.00 C ATOM 659 CG2 ILE A 70 16.990 -4.640 -6.980 1.00 0.00 C ATOM 660 CD1 ILE A 70 18.650 -2.360 -5.830 1.00 0.00 C ATOM 0 H ILE A 70 17.308 -6.732 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 70 15.738 -4.263 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 70 18.209 -5.280 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 70 16.796 -2.652 -4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 70 18.186 -3.326 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 70 17.820 -4.238 -7.561 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.796 -5.668 -7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.100 -4.036 -7.153 1.00 0.00 H new ATOM 0 HD11 ILE A 70 18.827 -1.400 -5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 70 19.599 -2.879 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 70 18.187 -2.194 -6.803 1.00 0.00 H new ATOM 662 N ILE A 71 14.160 -5.450 -5.610 1.00 0.00 N ATOM 663 CA ILE A 71 13.050 -6.150 -6.270 1.00 0.00 C ATOM 664 C ILE A 71 12.680 -5.340 -7.510 1.00 0.00 C ATOM 665 O ILE A 71 12.250 -4.200 -7.410 1.00 0.00 O ATOM 666 CB ILE A 71 11.840 -6.290 -5.330 1.00 0.00 C ATOM 667 CG1 ILE A 71 12.210 -6.730 -3.890 1.00 0.00 C ATOM 668 CG2 ILE A 71 10.790 -7.220 -5.960 1.00 0.00 C ATOM 669 CD1 ILE A 71 12.980 -8.050 -3.770 1.00 0.00 C ATOM 0 H ILE A 71 14.009 -4.447 -5.500 1.00 0.00 H new ATOM 0 HA ILE A 71 13.351 -7.161 -6.544 1.00 0.00 H new ATOM 0 HB ILE A 71 11.413 -5.294 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.806 -5.941 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.291 -6.814 -3.309 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.937 -7.314 -5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.459 -6.803 -6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.229 -8.203 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 71 13.185 -8.258 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.383 -8.859 -4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 71 13.921 -7.973 -4.315 1.00 0.00 H new ATOM 671 N THR A 72 12.990 -5.860 -8.670 1.00 0.00 N ATOM 672 CA THR A 72 12.670 -5.180 -9.940 1.00 0.00 C ATOM 673 C THR A 72 11.450 -5.830 -10.600 1.00 0.00 C ATOM 674 O THR A 72 11.000 -6.900 -10.200 1.00 0.00 O ATOM 675 CB THR A 72 13.880 -5.200 -10.880 1.00 0.00 C ATOM 676 OG1 THR A 72 14.370 -6.520 -10.840 1.00 0.00 O ATOM 677 CG2 THR A 72 15.000 -4.240 -10.490 1.00 0.00 C ATOM 0 H THR A 72 13.466 -6.755 -8.782 1.00 0.00 H new ATOM 0 HA THR A 72 12.427 -4.139 -9.727 1.00 0.00 H new ATOM 0 HB THR A 72 13.558 -4.875 -11.869 1.00 0.00 H new ATOM 0 HG1 THR A 72 15.015 -6.607 -10.107 1.00 0.00 H new ATOM 0 HG21 THR A 72 15.815 -4.320 -11.209 1.00 0.00 H new ATOM 0 HG22 THR A 72 14.619 -3.219 -10.486 1.00 0.00 H new ATOM 0 HG23 THR A 72 15.367 -4.494 -9.496 1.00 0.00 H new ATOM 680 N GLY A 73 10.880 -5.080 -11.540 1.00 0.00 N ATOM 681 CA GLY A 73 9.700 -5.510 -12.300 1.00 0.00 C ATOM 682 C GLY A 73 10.060 -5.670 -13.780 1.00 0.00 C ATOM 683 O GLY A 73 11.080 -5.160 -14.240 1.00 0.00 O ATOM 0 H GLY A 73 11.221 -4.154 -11.800 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.326 -6.454 -11.904 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.899 -4.779 -12.189 1.00 0.00 H new ATOM 685 N GLU A 74 9.110 -6.230 -14.520 1.00 0.00 N ATOM 686 CA GLU A 74 9.240 -6.360 -15.990 1.00 0.00 C ATOM 687 C GLU A 74 9.280 -4.980 -16.700 1.00 0.00 C ATOM 688 O GLU A 74 9.660 -4.870 -17.860 1.00 0.00 O ATOM 689 CB GLU A 74 8.090 -7.210 -16.530 1.00 0.00 C ATOM 690 CG GLU A 74 8.260 -7.610 -18.000 1.00 0.00 C ATOM 691 CD GLU A 74 8.470 -9.120 -18.120 1.00 0.00 C ATOM 692 OE1 GLU A 74 9.530 -9.600 -17.660 1.00 0.00 O ATOM 693 OE2 GLU A 74 7.530 -9.760 -18.640 1.00 0.00 O ATOM 0 H GLU A 74 8.240 -6.604 -14.140 1.00 0.00 H new ATOM 0 HA GLU A 74 10.190 -6.851 -16.202 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.001 -8.112 -15.925 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.157 -6.657 -16.418 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.379 -7.312 -18.569 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.111 -7.083 -18.431 1.00 0.00 H new ATOM 695 N ALA A 75 8.850 -3.960 -15.970 1.00 0.00 N ATOM 696 CA ALA A 75 8.920 -2.570 -16.410 1.00 0.00 C ATOM 697 C ALA A 75 10.090 -1.890 -15.710 1.00 0.00 C ATOM 698 O ALA A 75 10.280 -1.990 -14.500 1.00 0.00 O ATOM 699 CB ALA A 75 7.600 -1.870 -16.070 1.00 0.00 C ATOM 0 H ALA A 75 8.437 -4.074 -15.044 1.00 0.00 H new ATOM 0 HA ALA A 75 9.075 -2.516 -17.488 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.645 -0.831 -16.396 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.779 -2.375 -16.579 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.436 -1.906 -14.993 1.00 0.00 H new ATOM 701 N THR A 76 10.910 -1.240 -16.540 1.00 0.00 N ATOM 702 CA THR A 76 12.050 -0.440 -16.060 1.00 0.00 C ATOM 703 C THR A 76 11.490 0.680 -15.190 1.00 0.00 C ATOM 704 O THR A 76 10.380 1.160 -15.430 1.00 0.00 O ATOM 705 CB THR A 76 12.880 0.060 -17.250 1.00 0.00 C ATOM 706 OG1 THR A 76 13.500 -1.090 -17.820 1.00 0.00 O ATOM 707 CG2 THR A 76 13.980 1.090 -16.920 1.00 0.00 C ATOM 0 H THR A 76 10.808 -1.250 -17.555 1.00 0.00 H new ATOM 0 HA THR A 76 12.736 -1.031 -15.453 1.00 0.00 H new ATOM 0 HB THR A 76 12.195 0.585 -17.915 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.043 -0.821 -18.590 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.501 1.372 -17.835 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.527 1.975 -16.473 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.690 0.652 -16.218 1.00 0.00 H new ATOM 710 N GLN A 77 12.290 1.050 -14.180 1.00 0.00 N ATOM 711 CA GLN A 77 12.030 2.110 -13.180 1.00 0.00 C ATOM 712 C GLN A 77 11.100 1.600 -12.060 1.00 0.00 C ATOM 713 O GLN A 77 10.310 2.330 -11.450 1.00 0.00 O ATOM 714 CB GLN A 77 11.480 3.430 -13.780 1.00 0.00 C ATOM 715 CG GLN A 77 12.100 3.750 -15.140 1.00 0.00 C ATOM 716 CD GLN A 77 12.520 5.190 -15.370 1.00 0.00 C ATOM 717 OE1 GLN A 77 12.750 5.970 -14.460 1.00 0.00 O ATOM 718 NE2 GLN A 77 12.770 5.490 -16.620 1.00 0.00 N ATOM 0 H GLN A 77 13.189 0.595 -14.025 1.00 0.00 H new ATOM 0 HA GLN A 77 13.006 2.354 -12.760 1.00 0.00 H new ATOM 0 HB2 GLN A 77 10.398 3.356 -13.885 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.678 4.251 -13.090 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.975 3.114 -15.274 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.384 3.475 -15.915 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.566 4.815 -17.357 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.169 6.399 -16.856 1.00 0.00 H new ATOM 722 N GLU A 78 11.240 0.300 -11.800 1.00 0.00 N ATOM 723 CA GLU A 78 10.460 -0.440 -10.800 1.00 0.00 C ATOM 724 C GLU A 78 11.310 -1.380 -9.940 1.00 0.00 C ATOM 725 O GLU A 78 11.000 -2.550 -9.730 1.00 0.00 O ATOM 726 CB GLU A 78 9.250 -1.150 -11.430 1.00 0.00 C ATOM 727 CG GLU A 78 8.130 -0.150 -11.710 1.00 0.00 C ATOM 728 CD GLU A 78 6.830 -0.870 -12.080 1.00 0.00 C ATOM 729 OE1 GLU A 78 6.380 -1.710 -11.270 1.00 0.00 O ATOM 730 OE2 GLU A 78 6.310 -0.590 -13.180 1.00 0.00 O ATOM 0 H GLU A 78 11.916 -0.286 -12.290 1.00 0.00 H new ATOM 0 HA GLU A 78 10.069 0.306 -10.109 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.550 -1.639 -12.357 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.890 -1.931 -10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.967 0.474 -10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.426 0.514 -12.522 1.00 0.00 H new ATOM 732 N ASP A 79 12.380 -0.790 -9.410 1.00 0.00 N ATOM 733 CA ASP A 79 13.370 -1.460 -8.550 1.00 0.00 C ATOM 734 C ASP A 79 13.180 -1.060 -7.090 1.00 0.00 C ATOM 735 O ASP A 79 13.700 -0.060 -6.640 1.00 0.00 O ATOM 736 CB ASP A 79 14.820 -1.160 -8.990 1.00 0.00 C ATOM 737 CG ASP A 79 15.080 0.150 -9.750 1.00 0.00 C ATOM 738 OD1 ASP A 79 14.310 1.110 -9.570 1.00 0.00 O ATOM 739 OD2 ASP A 79 15.980 0.120 -10.610 1.00 0.00 O ATOM 0 H ASP A 79 12.594 0.195 -9.568 1.00 0.00 H new ATOM 0 HA ASP A 79 13.203 -2.532 -8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.448 -1.161 -8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.157 -1.985 -9.618 1.00 0.00 H new ATOM 741 N TYR A 80 12.260 -1.760 -6.450 1.00 0.00 N ATOM 742 CA TYR A 80 11.910 -1.580 -5.040 1.00 0.00 C ATOM 743 C TYR A 80 13.060 -2.030 -4.140 1.00 0.00 C ATOM 744 O TYR A 80 13.680 -3.070 -4.370 1.00 0.00 O ATOM 745 CB TYR A 80 10.710 -2.480 -4.710 1.00 0.00 C ATOM 746 CG TYR A 80 9.640 -2.460 -5.800 1.00 0.00 C ATOM 747 CD1 TYR A 80 8.660 -1.450 -5.760 1.00 0.00 C ATOM 748 CD2 TYR A 80 9.630 -3.450 -6.810 1.00 0.00 C ATOM 749 CE1 TYR A 80 7.660 -1.440 -6.750 1.00 0.00 C ATOM 750 CE2 TYR A 80 8.630 -3.450 -7.790 1.00 0.00 C ATOM 751 CZ TYR A 80 7.650 -2.450 -7.730 1.00 0.00 C ATOM 752 OH TYR A 80 6.650 -2.450 -8.640 1.00 0.00 O ATOM 0 H TYR A 80 11.716 -2.493 -6.905 1.00 0.00 H new ATOM 0 HA TYR A 80 11.689 -0.526 -4.873 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.057 -3.503 -4.566 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.268 -2.158 -3.767 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.675 -0.698 -4.985 1.00 0.00 H new ATOM 0 HD2 TYR A 80 10.397 -4.210 -6.825 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.908 -0.665 -6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.614 -4.198 -8.569 1.00 0.00 H new ATOM 0 HH TYR A 80 6.985 -2.106 -9.494 1.00 0.00 H new ATOM 755 N TYR A 81 13.390 -1.180 -3.200 1.00 0.00 N ATOM 756 CA TYR A 81 14.480 -1.440 -2.250 1.00 0.00 C ATOM 757 C TYR A 81 13.940 -1.390 -0.830 1.00 0.00 C ATOM 758 O TYR A 81 13.330 -0.410 -0.400 1.00 0.00 O ATOM 759 CB TYR A 81 15.570 -0.400 -2.410 1.00 0.00 C ATOM 760 CG TYR A 81 16.750 -0.540 -1.460 1.00 0.00 C ATOM 761 CD1 TYR A 81 16.700 0.150 -0.230 1.00 0.00 C ATOM 762 CD2 TYR A 81 17.920 -1.200 -1.910 1.00 0.00 C ATOM 763 CE1 TYR A 81 17.850 0.180 0.580 1.00 0.00 C ATOM 764 CE2 TYR A 81 19.060 -1.170 -1.090 1.00 0.00 C ATOM 765 CZ TYR A 81 19.010 -0.490 0.140 1.00 0.00 C ATOM 766 OH TYR A 81 20.070 -0.570 0.980 1.00 0.00 O ATOM 0 H TYR A 81 12.921 -0.285 -3.059 1.00 0.00 H new ATOM 0 HA TYR A 81 14.896 -2.427 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.942 -0.443 -3.434 1.00 0.00 H new ATOM 0 HB3 TYR A 81 15.130 0.587 -2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 81 15.794 0.647 0.084 1.00 0.00 H new ATOM 0 HD2 TYR A 81 17.935 -1.713 -2.860 1.00 0.00 H new ATOM 0 HE1 TYR A 81 17.844 0.707 1.523 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.968 -1.665 -1.402 1.00 0.00 H new ATOM 0 HH TYR A 81 19.761 -0.481 1.906 1.00 0.00 H new ATOM 769 N THR A 82 14.310 -2.450 -0.130 1.00 0.00 N ATOM 770 CA THR A 82 14.010 -2.620 1.300 1.00 0.00 C ATOM 771 C THR A 82 15.050 -1.940 2.200 1.00 0.00 C ATOM 772 O THR A 82 14.780 -0.970 2.890 1.00 0.00 O ATOM 773 CB THR A 82 13.740 -4.100 1.690 1.00 0.00 C ATOM 774 OG1 THR A 82 14.340 -4.480 2.930 1.00 0.00 O ATOM 775 CG2 THR A 82 14.010 -5.150 0.610 1.00 0.00 C ATOM 0 H THR A 82 14.832 -3.228 -0.533 1.00 0.00 H new ATOM 0 HA THR A 82 13.070 -2.098 1.479 1.00 0.00 H new ATOM 0 HB THR A 82 12.657 -4.100 1.815 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.976 -3.927 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.785 -6.142 1.002 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.380 -4.951 -0.257 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.058 -5.107 0.314 1.00 0.00 H new ATOM 778 N GLY A 83 16.250 -2.510 2.130 1.00 0.00 N ATOM 779 CA GLY A 83 17.400 -2.130 2.980 1.00 0.00 C ATOM 780 C GLY A 83 17.230 -2.520 4.450 1.00 0.00 C ATOM 781 O GLY A 83 17.850 -1.930 5.320 1.00 0.00 O ATOM 0 H GLY A 83 16.465 -3.261 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 83 18.302 -2.602 2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 83 17.550 -1.052 2.914 1.00 0.00 H new ATOM 783 N ASP A 84 16.370 -3.500 4.680 1.00 0.00 N ATOM 784 CA ASP A 84 16.060 -4.060 6.010 1.00 0.00 C ATOM 785 C ASP A 84 15.480 -5.490 5.950 1.00 0.00 C ATOM 786 O ASP A 84 14.850 -5.950 6.900 1.00 0.00 O ATOM 787 CB ASP A 84 15.080 -3.150 6.750 1.00 0.00 C ATOM 788 CG ASP A 84 15.650 -1.880 7.370 1.00 0.00 C ATOM 789 OD1 ASP A 84 16.810 -1.920 7.840 1.00 0.00 O ATOM 790 OD2 ASP A 84 14.830 -0.940 7.500 1.00 0.00 O ATOM 0 H ASP A 84 15.846 -3.950 3.930 1.00 0.00 H new ATOM 0 HA ASP A 84 17.008 -4.117 6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.292 -2.863 6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.609 -3.732 7.542 1.00 0.00 H new ATOM 792 N HIS A 85 15.790 -6.210 4.870 1.00 0.00 N ATOM 793 CA HIS A 85 15.380 -7.600 4.600 1.00 0.00 C ATOM 794 C HIS A 85 13.880 -7.740 4.510 1.00 0.00 C ATOM 795 O HIS A 85 13.200 -7.930 5.520 1.00 0.00 O ATOM 796 CB HIS A 85 15.960 -8.550 5.650 1.00 0.00 C ATOM 797 CG HIS A 85 15.870 -10.010 5.240 1.00 0.00 C ATOM 798 ND1 HIS A 85 14.920 -10.840 5.640 1.00 0.00 N ATOM 799 CD2 HIS A 85 16.730 -10.680 4.480 1.00 0.00 C ATOM 800 CE1 HIS A 85 15.180 -12.040 5.130 1.00 0.00 C ATOM 801 NE2 HIS A 85 16.300 -11.930 4.420 1.00 0.00 N ATOM 0 H HIS A 85 16.363 -5.825 4.119 1.00 0.00 H new ATOM 0 HA HIS A 85 15.785 -7.876 3.626 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.004 -8.292 5.829 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.430 -8.409 6.592 1.00 0.00 H new ATOM 0 HD1 HIS A 85 14.127 -10.601 6.235 1.00 0.00 H new ATOM 0 HD2 HIS A 85 17.612 -10.280 4.002 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.592 -12.936 5.266 1.00 0.00 H new ATOM 805 N TYR A 86 13.390 -7.430 3.310 1.00 0.00 N ATOM 806 CA TYR A 86 11.940 -7.440 3.050 1.00 0.00 C ATOM 807 C TYR A 86 11.110 -6.730 4.120 1.00 0.00 C ATOM 808 O TYR A 86 10.090 -7.210 4.590 1.00 0.00 O ATOM 809 CB TYR A 86 11.510 -8.910 2.920 1.00 0.00 C ATOM 810 CG TYR A 86 11.880 -9.560 1.600 1.00 0.00 C ATOM 811 CD1 TYR A 86 12.560 -8.840 0.590 1.00 0.00 C ATOM 812 CD2 TYR A 86 11.480 -10.900 1.430 1.00 0.00 C ATOM 813 CE1 TYR A 86 12.840 -9.470 -0.620 1.00 0.00 C ATOM 814 CE2 TYR A 86 11.780 -11.550 0.210 1.00 0.00 C ATOM 815 CZ TYR A 86 12.450 -10.810 -0.790 1.00 0.00 C ATOM 816 OH TYR A 86 12.690 -11.380 -1.990 1.00 0.00 O ATOM 0 H TYR A 86 13.963 -7.171 2.507 1.00 0.00 H new ATOM 0 HA TYR A 86 11.753 -6.879 2.134 1.00 0.00 H new ATOM 0 HB2 TYR A 86 11.963 -9.481 3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.430 -8.972 3.051 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.858 -7.815 0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.954 -11.421 2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 86 13.347 -8.939 -1.412 1.00 0.00 H new ATOM 0 HE2 TYR A 86 11.505 -12.582 0.048 1.00 0.00 H new ATOM 0 HH TYR A 86 11.897 -11.291 -2.559 1.00 0.00 H new ATOM 819 N ALA A 87 11.660 -5.620 4.600 1.00 0.00 N ATOM 820 CA ALA A 87 11.000 -4.880 5.680 1.00 0.00 C ATOM 821 C ALA A 87 10.230 -3.680 5.160 1.00 0.00 C ATOM 822 O ALA A 87 9.300 -3.210 5.810 1.00 0.00 O ATOM 823 CB ALA A 87 12.000 -4.460 6.750 1.00 0.00 C ATOM 0 H ALA A 87 12.538 -5.217 4.272 1.00 0.00 H new ATOM 0 HA ALA A 87 10.277 -5.557 6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.482 -3.913 7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.473 -5.346 7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.762 -3.820 6.305 1.00 0.00 H new ATOM 825 N THR A 88 10.570 -3.270 3.940 1.00 0.00 N ATOM 826 CA THR A 88 10.030 -2.080 3.260 1.00 0.00 C ATOM 827 C THR A 88 10.370 -2.180 1.770 1.00 0.00 C ATOM 828 O THR A 88 10.930 -3.190 1.340 1.00 0.00 O ATOM 829 CB THR A 88 10.670 -0.810 3.820 1.00 0.00 C ATOM 830 OG1 THR A 88 12.070 -1.050 4.000 1.00 0.00 O ATOM 831 CG2 THR A 88 9.980 -0.310 5.090 1.00 0.00 C ATOM 0 H THR A 88 11.253 -3.771 3.372 1.00 0.00 H new ATOM 0 HA THR A 88 8.952 -2.035 3.415 1.00 0.00 H new ATOM 0 HB THR A 88 10.539 0.003 3.106 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.546 -0.851 3.167 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.477 0.594 5.442 1.00 0.00 H new ATOM 0 HG22 THR A 88 8.935 -0.088 4.873 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.036 -1.079 5.861 1.00 0.00 H new ATOM 834 N PHE A 89 9.900 -1.210 0.990 1.00 0.00 N ATOM 835 CA PHE A 89 10.040 -1.200 -0.480 1.00 0.00 C ATOM 836 C PHE A 89 9.850 0.230 -0.970 1.00 0.00 C ATOM 837 O PHE A 89 8.810 0.860 -0.760 1.00 0.00 O ATOM 838 CB PHE A 89 8.980 -2.080 -1.150 1.00 0.00 C ATOM 839 CG PHE A 89 9.110 -3.540 -0.720 1.00 0.00 C ATOM 840 CD1 PHE A 89 10.090 -4.380 -1.310 1.00 0.00 C ATOM 841 CD2 PHE A 89 8.280 -4.020 0.320 1.00 0.00 C ATOM 842 CE1 PHE A 89 10.220 -5.710 -0.870 1.00 0.00 C ATOM 843 CE2 PHE A 89 8.420 -5.360 0.770 1.00 0.00 C ATOM 844 CZ PHE A 89 9.380 -6.190 0.160 1.00 0.00 C ATOM 0 H PHE A 89 9.405 -0.397 1.356 1.00 0.00 H new ATOM 0 HA PHE A 89 11.026 -1.587 -0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.986 -1.712 -0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 89 9.078 -2.009 -2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 89 10.732 -4.001 -2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 89 7.543 -3.371 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.957 -6.360 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.799 -5.737 1.569 1.00 0.00 H new ATOM 0 HZ PHE A 89 9.476 -7.215 0.486 1.00 0.00 H new ATOM 846 N SER A 90 10.940 0.730 -1.530 1.00 0.00 N ATOM 847 CA SER A 90 10.980 2.100 -2.050 1.00 0.00 C ATOM 848 C SER A 90 11.660 2.090 -3.410 1.00 0.00 C ATOM 849 O SER A 90 12.810 1.650 -3.500 1.00 0.00 O ATOM 850 CB SER A 90 11.740 3.040 -1.120 1.00 0.00 C ATOM 851 OG SER A 90 11.470 2.720 0.250 1.00 0.00 O ATOM 0 H SER A 90 11.812 0.213 -1.639 1.00 0.00 H new ATOM 0 HA SER A 90 9.955 2.463 -2.128 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.810 2.964 -1.313 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.452 4.072 -1.322 1.00 0.00 H new ATOM 0 HG SER A 90 11.967 3.331 0.833 1.00 0.00 H new ATOM 854 N LEU A 91 10.890 2.360 -4.460 1.00 0.00 N ATOM 855 CA LEU A 91 11.410 2.450 -5.840 1.00 0.00 C ATOM 856 C LEU A 91 12.750 3.190 -5.910 1.00 0.00 C ATOM 857 O LEU A 91 13.110 3.930 -5.010 1.00 0.00 O ATOM 858 CB LEU A 91 10.410 3.130 -6.790 1.00 0.00 C ATOM 859 CG LEU A 91 9.260 2.230 -7.230 1.00 0.00 C ATOM 860 CD1 LEU A 91 8.460 2.900 -8.350 1.00 0.00 C ATOM 861 CD2 LEU A 91 9.830 0.940 -7.790 1.00 0.00 C ATOM 0 H LEU A 91 9.886 2.524 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 91 11.562 1.420 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.000 4.012 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.944 3.478 -7.674 1.00 0.00 H new ATOM 0 HG LEU A 91 8.617 2.042 -6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.642 2.246 -8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.054 3.846 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.113 3.085 -9.203 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.015 0.290 -8.107 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.468 1.165 -8.644 1.00 0.00 H new ATOM 0 HD23 LEU A 91 10.417 0.437 -7.021 1.00 0.00 H new ATOM 863 N ILE A 92 13.510 3.000 -6.970 1.00 0.00 N ATOM 864 CA ILE A 92 14.800 3.700 -7.110 1.00 0.00 C ATOM 865 C ILE A 92 14.690 4.790 -8.170 1.00 0.00 C ATOM 866 O ILE A 92 14.380 4.540 -9.330 1.00 0.00 O ATOM 867 CB ILE A 92 15.940 2.670 -7.320 1.00 0.00 C ATOM 868 CG1 ILE A 92 16.560 2.200 -6.010 1.00 0.00 C ATOM 869 CG2 ILE A 92 17.090 3.190 -8.190 1.00 0.00 C ATOM 870 CD1 ILE A 92 15.600 1.430 -5.120 1.00 0.00 C ATOM 0 H ILE A 92 13.274 2.379 -7.744 1.00 0.00 H new ATOM 0 HA ILE A 92 15.064 4.228 -6.194 1.00 0.00 H new ATOM 0 HB ILE A 92 15.439 1.845 -7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 92 17.421 1.569 -6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 92 16.932 3.066 -5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 92 17.849 2.414 -8.292 1.00 0.00 H new ATOM 0 HG22 ILE A 92 16.709 3.456 -9.176 1.00 0.00 H new ATOM 0 HG23 ILE A 92 17.531 4.070 -7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 92 16.113 1.129 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 92 14.750 2.064 -4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 92 15.247 0.544 -5.647 1.00 0.00 H new ATOM 872 N ASP A 93 15.020 6.000 -7.730 1.00 0.00 N ATOM 873 CA ASP A 93 15.020 7.160 -8.630 1.00 0.00 C ATOM 874 C ASP A 93 16.440 7.330 -9.170 1.00 0.00 C ATOM 875 O ASP A 93 17.260 7.960 -8.520 1.00 0.00 O ATOM 876 CB ASP A 93 14.550 8.410 -7.890 1.00 0.00 C ATOM 877 CG ASP A 93 13.370 9.090 -8.580 1.00 0.00 C ATOM 878 OD1 ASP A 93 12.590 8.380 -9.260 1.00 0.00 O ATOM 879 OD2 ASP A 93 13.250 10.320 -8.400 1.00 0.00 O ATOM 0 H ASP A 93 15.289 6.207 -6.768 1.00 0.00 H new ATOM 0 HA ASP A 93 14.329 7.004 -9.458 1.00 0.00 H new ATOM 0 HB2 ASP A 93 14.266 8.141 -6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.377 9.115 -7.813 1.00 0.00 H new ATOM 881 N GLN A 94 16.720 6.750 -10.330 1.00 0.00 N ATOM 882 CA GLN A 94 18.060 6.900 -10.950 1.00 0.00 C ATOM 883 C GLN A 94 18.510 8.350 -11.150 1.00 0.00 C ATOM 884 O GLN A 94 19.550 8.750 -10.640 1.00 0.00 O ATOM 885 CB GLN A 94 18.130 6.160 -12.280 1.00 0.00 C ATOM 886 CG GLN A 94 18.420 4.680 -12.040 1.00 0.00 C ATOM 887 CD GLN A 94 19.550 4.230 -12.970 1.00 0.00 C ATOM 888 OE1 GLN A 94 20.680 4.690 -12.900 1.00 0.00 O ATOM 889 NE2 GLN A 94 19.220 3.350 -13.890 1.00 0.00 N ATOM 0 H GLN A 94 16.063 6.180 -10.863 1.00 0.00 H new ATOM 0 HA GLN A 94 18.751 6.458 -10.232 1.00 0.00 H new ATOM 0 HB2 GLN A 94 17.189 6.272 -12.818 1.00 0.00 H new ATOM 0 HB3 GLN A 94 18.909 6.595 -12.907 1.00 0.00 H new ATOM 0 HG2 GLN A 94 18.702 4.517 -11.000 1.00 0.00 H new ATOM 0 HG3 GLN A 94 17.524 4.087 -12.224 1.00 0.00 H new ATOM 0 HE21 GLN A 94 18.269 2.982 -13.926 1.00 0.00 H new ATOM 0 HE22 GLN A 94 19.915 3.036 -14.567 1.00 0.00 H new ATOM 893 N THR A 95 17.540 9.150 -11.610 1.00 0.00 N ATOM 894 CA THR A 95 17.640 10.620 -11.760 1.00 0.00 C ATOM 895 C THR A 95 18.090 11.360 -10.490 1.00 0.00 C ATOM 896 O THR A 95 18.750 12.390 -10.520 1.00 0.00 O ATOM 897 CB THR A 95 16.330 11.240 -12.290 1.00 0.00 C ATOM 898 OG1 THR A 95 16.380 12.660 -12.150 1.00 0.00 O ATOM 899 CG2 THR A 95 15.050 10.680 -11.650 1.00 0.00 C ATOM 0 H THR A 95 16.632 8.787 -11.899 1.00 0.00 H new ATOM 0 HA THR A 95 18.429 10.758 -12.499 1.00 0.00 H new ATOM 0 HB THR A 95 16.268 10.960 -13.342 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.548 13.052 -12.489 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.180 11.174 -12.084 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.989 9.608 -11.837 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.072 10.861 -10.575 1.00 0.00 H new ATOM 902 N CYS A 96 17.740 10.780 -9.350 1.00 0.00 N ATOM 903 CA CYS A 96 18.130 11.380 -8.070 1.00 0.00 C ATOM 904 C CYS A 96 19.130 10.420 -7.410 1.00 0.00 C ATOM 905 O CYS A 96 20.360 10.620 -7.390 1.00 0.00 O ATOM 906 CB CYS A 96 16.840 11.550 -7.250 1.00 0.00 C ATOM 907 SG CYS A 96 17.120 12.460 -5.690 1.00 0.00 S ATOM 908 OXT CYS A 96 18.620 9.360 -7.080 1.00 0.00 O ATOM 0 H CYS A 96 17.201 9.917 -9.278 1.00 0.00 H new ATOM 0 HA CYS A 96 18.608 12.355 -8.165 1.00 0.00 H new ATOM 0 HB2 CYS A 96 16.099 12.080 -7.849 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.424 10.568 -7.025 1.00 0.00 H new TER 910 CYS A 96