USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 153 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 32 GLN : amide:sc= -4.24 K(o=-5.8,f=-3.7) USER MOD Set 1.2: A 56 THR OG1 : rot -136:sc= -1.58 USER MOD Set 2.1: A 52 TYR OH : rot 30:sc= -0.559 USER MOD Set 2.2: A 80 TYR OH : rot -111:sc= 0.748 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 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 18 THR OG1 : rot -145:sc= -1.11 USER MOD Single : A 20 ASN : amide:sc= -0.0123 X(o=-0.012,f=-0.24) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -39:sc= 0.0371 USER MOD Single : A 38 GLN : amide:sc= -0.647 K(o=-0.65,f=-1.6) USER MOD Single : A 39 ASN : amide:sc= -3.09! C(o=-3.1!,f=-11!) USER MOD Single : A 42 SER OG : rot -51:sc= 0.167 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 53 HIS : no HD1:sc= -0.835 K(o=-0.83,f=-1.9) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 100:sc= -0.732 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 111:sc= 0.524 USER MOD Single : A 72 THR OG1 : rot -106:sc= -0.588 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0608 X(o=-0.061,f=0) USER MOD Single : A 81 TYR OH : rot -120:sc= -0.25 USER MOD Single : A 82 THR OG1 : rot 68:sc= 0.175 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -106:sc= 2.12 USER MOD Single : A 88 THR OG1 : rot 84:sc= 0.0101 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0202 K(o=-0.02,f=-0.73) USER MOD Single : A 95 THR OG1 : rot -36:sc= 0.53 USER MOD ----------------------------------------------------------------- ATOM 12 N VAL A 2 3.560 1.450 -2.410 1.00 0.00 N ATOM 13 CA VAL A 2 4.260 2.700 -2.770 1.00 0.00 C ATOM 14 C VAL A 2 3.230 3.840 -2.850 1.00 0.00 C ATOM 15 O VAL A 2 2.150 3.680 -3.410 1.00 0.00 O ATOM 16 CB VAL A 2 4.970 2.540 -4.120 1.00 0.00 C ATOM 17 CG1 VAL A 2 5.940 3.660 -4.450 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.900 1.340 -4.070 1.00 0.00 C ATOM 0 HA VAL A 2 5.009 2.931 -2.012 1.00 0.00 H new ATOM 0 HB VAL A 2 4.154 2.486 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.399 3.470 -5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.404 4.608 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.715 3.707 -3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.403 1.229 -5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.643 1.488 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.322 0.441 -3.857 1.00 0.00 H new ATOM 20 N SER A 3 3.650 5.010 -2.370 1.00 0.00 N ATOM 21 CA SER A 3 2.860 6.260 -2.400 1.00 0.00 C ATOM 22 C SER A 3 2.940 6.970 -3.760 1.00 0.00 C ATOM 23 O SER A 3 2.700 8.170 -3.870 1.00 0.00 O ATOM 24 CB SER A 3 3.310 7.200 -1.270 1.00 0.00 C ATOM 25 OG SER A 3 2.790 6.740 -0.020 1.00 0.00 O ATOM 0 H SER A 3 4.567 5.127 -1.939 1.00 0.00 H new ATOM 0 HA SER A 3 1.816 5.989 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.399 7.239 -1.229 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.962 8.214 -1.468 1.00 0.00 H new ATOM 0 HG SER A 3 3.081 7.342 0.697 1.00 0.00 H new ATOM 28 N GLY A 4 3.260 6.190 -4.780 1.00 0.00 N ATOM 29 CA GLY A 4 3.390 6.650 -6.180 1.00 0.00 C ATOM 30 C GLY A 4 4.860 6.900 -6.510 1.00 0.00 C ATOM 31 O GLY A 4 5.750 6.250 -5.980 1.00 0.00 O ATOM 0 H GLY A 4 3.444 5.193 -4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.978 5.902 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.815 7.564 -6.327 1.00 0.00 H new ATOM 33 N THR A 5 5.050 7.780 -7.470 1.00 0.00 N ATOM 34 CA THR A 5 6.390 8.150 -7.960 1.00 0.00 C ATOM 35 C THR A 5 6.760 9.560 -7.490 1.00 0.00 C ATOM 36 O THR A 5 5.970 10.250 -6.850 1.00 0.00 O ATOM 37 CB THR A 5 6.390 8.020 -9.500 1.00 0.00 C ATOM 38 OG1 THR A 5 5.620 6.870 -9.880 1.00 0.00 O ATOM 39 CG2 THR A 5 7.780 7.760 -10.060 1.00 0.00 C ATOM 0 H THR A 5 4.289 8.268 -7.942 1.00 0.00 H new ATOM 0 HA THR A 5 7.150 7.483 -7.553 1.00 0.00 H new ATOM 0 HB THR A 5 5.991 8.959 -9.884 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.617 6.786 -10.856 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.725 7.677 -11.145 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.440 8.585 -9.792 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.172 6.832 -9.644 1.00 0.00 H new ATOM 42 N VAL A 6 8.020 9.910 -7.700 1.00 0.00 N ATOM 43 CA VAL A 6 8.580 11.180 -7.210 1.00 0.00 C ATOM 44 C VAL A 6 9.540 11.690 -8.290 1.00 0.00 C ATOM 45 O VAL A 6 10.480 11.010 -8.700 1.00 0.00 O ATOM 46 CB VAL A 6 9.180 10.950 -5.800 1.00 0.00 C ATOM 47 CG1 VAL A 6 10.670 10.650 -5.730 1.00 0.00 C ATOM 48 CG2 VAL A 6 8.860 12.160 -4.920 1.00 0.00 C ATOM 0 H VAL A 6 8.687 9.332 -8.211 1.00 0.00 H new ATOM 0 HA VAL A 6 7.843 11.969 -7.061 1.00 0.00 H new ATOM 0 HB VAL A 6 8.708 10.035 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.964 10.510 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.885 9.742 -6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.229 11.483 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.278 12.007 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.294 13.057 -5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.779 12.279 -4.845 1.00 0.00 H new ATOM 50 N CYS A 7 9.090 12.750 -8.940 1.00 0.00 N ATOM 51 CA CYS A 7 9.900 13.420 -9.970 1.00 0.00 C ATOM 52 C CYS A 7 11.330 13.630 -9.490 1.00 0.00 C ATOM 53 O CYS A 7 11.550 14.000 -8.340 1.00 0.00 O ATOM 54 CB CYS A 7 9.280 14.770 -10.340 1.00 0.00 C ATOM 55 SG CYS A 7 7.700 14.550 -11.230 1.00 0.00 S ATOM 0 H CYS A 7 8.175 13.171 -8.781 1.00 0.00 H new ATOM 0 HA CYS A 7 9.919 12.778 -10.850 1.00 0.00 H new ATOM 0 HB2 CYS A 7 9.113 15.356 -9.436 1.00 0.00 H new ATOM 0 HB3 CYS A 7 9.975 15.334 -10.962 1.00 0.00 H new ATOM 57 N LEU A 8 12.290 13.300 -10.350 1.00 0.00 N ATOM 58 CA LEU A 8 13.710 13.420 -9.960 1.00 0.00 C ATOM 59 C LEU A 8 14.070 14.860 -9.570 1.00 0.00 C ATOM 60 O LEU A 8 14.700 15.060 -8.540 1.00 0.00 O ATOM 61 CB LEU A 8 14.650 12.950 -11.070 1.00 0.00 C ATOM 62 CG LEU A 8 15.850 12.100 -10.610 1.00 0.00 C ATOM 63 CD1 LEU A 8 17.030 12.480 -11.500 1.00 0.00 C ATOM 64 CD2 LEU A 8 16.290 12.250 -9.150 1.00 0.00 C ATOM 0 H LEU A 8 12.129 12.956 -11.297 1.00 0.00 H new ATOM 0 HA LEU A 8 13.841 12.773 -9.093 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.072 12.371 -11.790 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.029 13.826 -11.596 1.00 0.00 H new ATOM 0 HG LEU A 8 15.525 11.063 -10.692 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.906 11.900 -11.210 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.784 12.269 -12.541 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.244 13.543 -11.386 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.142 11.598 -8.958 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.575 13.285 -8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.466 11.974 -8.492 1.00 0.00 H new ATOM 66 N SER A 9 13.400 15.810 -10.230 1.00 0.00 N ATOM 67 CA SER A 9 13.490 17.250 -9.920 1.00 0.00 C ATOM 68 C SER A 9 12.880 17.600 -8.550 1.00 0.00 C ATOM 69 O SER A 9 13.320 18.540 -7.890 1.00 0.00 O ATOM 70 CB SER A 9 12.800 18.060 -11.020 1.00 0.00 C ATOM 71 OG SER A 9 13.040 19.450 -10.810 1.00 0.00 O ATOM 0 H SER A 9 12.770 15.603 -11.005 1.00 0.00 H new ATOM 0 HA SER A 9 14.549 17.506 -9.874 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.176 17.759 -11.998 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.728 17.860 -11.015 1.00 0.00 H new ATOM 0 HG SER A 9 12.599 19.968 -11.515 1.00 0.00 H new ATOM 74 N ALA A 10 11.910 16.800 -8.120 1.00 0.00 N ATOM 75 CA ALA A 10 11.280 16.920 -6.790 1.00 0.00 C ATOM 76 C ALA A 10 12.220 16.430 -5.670 1.00 0.00 C ATOM 77 O ALA A 10 12.130 16.870 -4.520 1.00 0.00 O ATOM 78 CB ALA A 10 9.970 16.130 -6.750 1.00 0.00 C ATOM 0 H ALA A 10 11.528 16.040 -8.683 1.00 0.00 H new ATOM 0 HA ALA A 10 11.072 17.976 -6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.516 16.227 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.286 16.521 -7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.173 15.079 -6.954 1.00 0.00 H new ATOM 80 N LEU A 11 13.080 15.480 -6.010 1.00 0.00 N ATOM 81 CA LEU A 11 14.100 14.960 -5.090 1.00 0.00 C ATOM 82 C LEU A 11 15.360 15.850 -5.000 1.00 0.00 C ATOM 83 O LEU A 11 15.570 16.700 -5.860 1.00 0.00 O ATOM 84 CB LEU A 11 14.480 13.550 -5.510 1.00 0.00 C ATOM 85 CG LEU A 11 13.530 12.510 -4.920 1.00 0.00 C ATOM 86 CD1 LEU A 11 14.160 11.190 -5.290 1.00 0.00 C ATOM 87 CD2 LEU A 11 13.370 12.540 -3.390 1.00 0.00 C ATOM 0 H LEU A 11 13.096 15.043 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 11 13.662 14.958 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.468 13.478 -6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.499 13.336 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 11 12.529 12.697 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.547 10.374 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.232 11.112 -6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.158 11.128 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.674 11.760 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.338 12.369 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.984 13.512 -3.083 1.00 0.00 H new ATOM 89 N PRO A 12 16.180 15.690 -3.940 1.00 0.00 N ATOM 90 CA PRO A 12 17.410 16.480 -3.750 1.00 0.00 C ATOM 91 C PRO A 12 18.490 16.160 -4.810 1.00 0.00 C ATOM 92 O PRO A 12 18.400 15.140 -5.490 1.00 0.00 O ATOM 93 CB PRO A 12 17.830 16.160 -2.310 1.00 0.00 C ATOM 94 CG PRO A 12 17.310 14.760 -2.030 1.00 0.00 C ATOM 95 CD PRO A 12 15.990 14.770 -2.790 1.00 0.00 C ATOM 0 HA PRO A 12 17.255 17.550 -3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.913 16.204 -2.199 1.00 0.00 H new ATOM 0 HB3 PRO A 12 17.408 16.881 -1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 12 17.988 13.989 -2.396 1.00 0.00 H new ATOM 0 HG3 PRO A 12 17.169 14.580 -0.964 1.00 0.00 H new ATOM 0 HD2 PRO A 12 15.730 13.768 -3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 12 15.175 15.110 -2.150 1.00 0.00 H new ATOM 96 N PRO A 13 19.570 16.970 -4.910 1.00 0.00 N ATOM 97 CA PRO A 13 20.680 16.690 -5.840 1.00 0.00 C ATOM 98 C PRO A 13 21.500 15.450 -5.460 1.00 0.00 C ATOM 99 O PRO A 13 22.010 14.730 -6.320 1.00 0.00 O ATOM 100 CB PRO A 13 21.520 17.970 -5.830 1.00 0.00 C ATOM 101 CG PRO A 13 21.290 18.570 -4.450 1.00 0.00 C ATOM 102 CD PRO A 13 19.850 18.180 -4.110 1.00 0.00 C ATOM 0 HA PRO A 13 20.308 16.445 -6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 13 22.575 17.753 -5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 13 21.207 18.656 -6.617 1.00 0.00 H new ATOM 0 HG2 PRO A 13 21.994 18.172 -3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 13 21.418 19.652 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 13 19.739 17.980 -3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 13 19.157 18.984 -4.358 1.00 0.00 H new ATOM 103 N GLU A 14 21.440 15.100 -4.180 1.00 0.00 N ATOM 104 CA GLU A 14 22.110 13.910 -3.620 1.00 0.00 C ATOM 105 C GLU A 14 21.270 12.640 -3.810 1.00 0.00 C ATOM 106 O GLU A 14 21.790 11.540 -3.640 1.00 0.00 O ATOM 107 CB GLU A 14 22.450 14.060 -2.130 1.00 0.00 C ATOM 108 CG GLU A 14 22.670 15.520 -1.730 1.00 0.00 C ATOM 109 CD GLU A 14 23.670 15.720 -0.590 1.00 0.00 C ATOM 110 OE1 GLU A 14 23.790 14.830 0.270 1.00 0.00 O ATOM 111 OE2 GLU A 14 24.230 16.830 -0.570 1.00 0.00 O ATOM 0 H GLU A 14 20.920 15.636 -3.485 1.00 0.00 H new ATOM 0 HA GLU A 14 23.042 13.819 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 14 21.643 13.639 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 14 23.348 13.484 -1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 14 23.016 16.075 -2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 14 21.713 15.952 -1.437 1.00 0.00 H new ATOM 113 N ALA A 15 20.060 12.810 -4.350 1.00 0.00 N ATOM 114 CA ALA A 15 19.150 11.700 -4.690 1.00 0.00 C ATOM 115 C ALA A 15 19.630 10.910 -5.900 1.00 0.00 C ATOM 116 O ALA A 15 19.890 9.710 -5.800 1.00 0.00 O ATOM 117 CB ALA A 15 17.720 12.190 -4.910 1.00 0.00 C ATOM 0 H ALA A 15 19.676 13.729 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 15 19.155 11.028 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 15 17.080 11.344 -5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.355 12.667 -4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.704 12.910 -5.728 1.00 0.00 H new ATOM 119 N THR A 16 19.960 11.660 -6.960 1.00 0.00 N ATOM 120 CA THR A 16 20.560 11.100 -8.190 1.00 0.00 C ATOM 121 C THR A 16 21.840 10.300 -7.910 1.00 0.00 C ATOM 122 O THR A 16 22.150 9.370 -8.650 1.00 0.00 O ATOM 123 CB THR A 16 20.730 12.180 -9.280 1.00 0.00 C ATOM 124 OG1 THR A 16 20.090 11.660 -10.450 1.00 0.00 O ATOM 125 CG2 THR A 16 22.160 12.610 -9.620 1.00 0.00 C ATOM 0 H THR A 16 19.821 12.670 -6.994 1.00 0.00 H new ATOM 0 HA THR A 16 19.856 10.372 -8.593 1.00 0.00 H new ATOM 0 HB THR A 16 20.289 13.097 -8.889 1.00 0.00 H new ATOM 0 HG1 THR A 16 20.166 12.309 -11.180 1.00 0.00 H new ATOM 0 HG21 THR A 16 22.135 13.372 -10.399 1.00 0.00 H new ATOM 0 HG22 THR A 16 22.639 13.017 -8.729 1.00 0.00 H new ATOM 0 HG23 THR A 16 22.725 11.748 -9.974 1.00 0.00 H new ATOM 128 N ASP A 17 22.510 10.640 -6.810 1.00 0.00 N ATOM 129 CA ASP A 17 23.760 9.980 -6.370 1.00 0.00 C ATOM 130 C ASP A 17 23.560 8.460 -6.280 1.00 0.00 C ATOM 131 O ASP A 17 24.130 7.740 -7.080 1.00 0.00 O ATOM 132 CB ASP A 17 24.180 10.520 -5.000 1.00 0.00 C ATOM 133 CG ASP A 17 25.610 10.170 -4.570 1.00 0.00 C ATOM 134 OD1 ASP A 17 26.220 9.290 -5.220 1.00 0.00 O ATOM 135 OD2 ASP A 17 26.040 10.790 -3.580 1.00 0.00 O ATOM 0 H ASP A 17 22.206 11.387 -6.186 1.00 0.00 H new ATOM 0 HA ASP A 17 24.540 10.193 -7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 17 24.075 11.605 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 17 23.488 10.138 -4.249 1.00 0.00 H new ATOM 137 N THR A 18 22.600 8.020 -5.480 1.00 0.00 N ATOM 138 CA THR A 18 22.270 6.590 -5.400 1.00 0.00 C ATOM 139 C THR A 18 21.910 5.970 -6.750 1.00 0.00 C ATOM 140 O THR A 18 22.420 4.900 -7.080 1.00 0.00 O ATOM 141 CB THR A 18 21.210 6.350 -4.350 1.00 0.00 C ATOM 142 OG1 THR A 18 21.830 6.490 -3.080 1.00 0.00 O ATOM 143 CG2 THR A 18 20.550 4.990 -4.420 1.00 0.00 C ATOM 0 H THR A 18 22.036 8.620 -4.879 1.00 0.00 H new ATOM 0 HA THR A 18 23.177 6.070 -5.091 1.00 0.00 H new ATOM 0 HB THR A 18 20.416 7.076 -4.523 1.00 0.00 H new ATOM 0 HG1 THR A 18 21.434 5.852 -2.450 1.00 0.00 H new ATOM 0 HG21 THR A 18 19.804 4.907 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 18 20.067 4.870 -5.390 1.00 0.00 H new ATOM 0 HG23 THR A 18 21.303 4.213 -4.291 1.00 0.00 H new ATOM 146 N LEU A 19 21.000 6.610 -7.460 1.00 0.00 N ATOM 147 CA LEU A 19 20.580 6.130 -8.790 1.00 0.00 C ATOM 148 C LEU A 19 21.780 5.960 -9.740 1.00 0.00 C ATOM 149 O LEU A 19 21.900 4.920 -10.380 1.00 0.00 O ATOM 150 CB LEU A 19 19.570 7.100 -9.410 1.00 0.00 C ATOM 151 CG LEU A 19 18.560 7.690 -8.400 1.00 0.00 C ATOM 152 CD1 LEU A 19 17.580 8.540 -9.200 1.00 0.00 C ATOM 153 CD2 LEU A 19 17.810 6.650 -7.570 1.00 0.00 C ATOM 0 H LEU A 19 20.531 7.462 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 19 20.115 5.154 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.112 7.918 -9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.021 6.582 -10.196 1.00 0.00 H new ATOM 0 HG LEU A 19 19.115 8.274 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 19 16.845 8.979 -8.526 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.122 9.334 -9.713 1.00 0.00 H new ATOM 0 HD13 LEU A 19 17.072 7.915 -9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 19 17.124 7.154 -6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.247 5.993 -8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 19 18.524 6.060 -6.995 1.00 0.00 H new ATOM 155 N ASN A 20 22.750 6.850 -9.590 1.00 0.00 N ATOM 156 CA ASN A 20 24.040 6.790 -10.290 1.00 0.00 C ATOM 157 C ASN A 20 24.860 5.600 -9.810 1.00 0.00 C ATOM 158 O ASN A 20 25.390 4.860 -10.620 1.00 0.00 O ATOM 159 CB ASN A 20 24.850 8.050 -9.990 1.00 0.00 C ATOM 160 CG ASN A 20 25.470 8.630 -11.250 1.00 0.00 C ATOM 161 OD1 ASN A 20 25.810 7.960 -12.220 1.00 0.00 O ATOM 162 ND2 ASN A 20 25.580 9.940 -11.230 1.00 0.00 N ATOM 0 H ASN A 20 22.668 7.653 -8.967 1.00 0.00 H new ATOM 0 HA ASN A 20 23.834 6.699 -11.357 1.00 0.00 H new ATOM 0 HB2 ASN A 20 24.205 8.796 -9.525 1.00 0.00 H new ATOM 0 HB3 ASN A 20 25.636 7.816 -9.272 1.00 0.00 H new ATOM 0 HD21 ASN A 20 25.958 10.432 -12.039 1.00 0.00 H new ATOM 0 HD22 ASN A 20 25.287 10.464 -10.405 1.00 0.00 H new ATOM 166 N LEU A 21 24.830 5.330 -8.520 1.00 0.00 N ATOM 167 CA LEU A 21 25.490 4.160 -7.940 1.00 0.00 C ATOM 168 C LEU A 21 24.790 2.860 -8.370 1.00 0.00 C ATOM 169 O LEU A 21 25.450 1.850 -8.510 1.00 0.00 O ATOM 170 CB LEU A 21 25.440 4.300 -6.430 1.00 0.00 C ATOM 171 CG LEU A 21 25.960 5.590 -5.800 1.00 0.00 C ATOM 172 CD1 LEU A 21 25.530 5.650 -4.340 1.00 0.00 C ATOM 173 CD2 LEU A 21 27.470 5.730 -5.950 1.00 0.00 C ATOM 0 H LEU A 21 24.348 5.913 -7.836 1.00 0.00 H new ATOM 0 HA LEU A 21 26.521 4.109 -8.290 1.00 0.00 H new ATOM 0 HB2 LEU A 21 24.403 4.174 -6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.004 3.471 -6.001 1.00 0.00 H new ATOM 0 HG LEU A 21 25.524 6.436 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 21 25.901 6.571 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.442 5.629 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.939 4.793 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 21 27.797 6.662 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 21 27.964 4.890 -5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 21 27.731 5.739 -7.008 1.00 0.00 H new ATOM 175 N ILE A 22 23.480 2.850 -8.590 1.00 0.00 N ATOM 176 CA ILE A 22 22.770 1.680 -9.160 1.00 0.00 C ATOM 177 C ILE A 22 23.100 1.490 -10.640 1.00 0.00 C ATOM 178 O ILE A 22 23.340 0.370 -11.090 1.00 0.00 O ATOM 179 CB ILE A 22 21.260 1.840 -8.910 1.00 0.00 C ATOM 180 CG1 ILE A 22 21.030 1.610 -7.430 1.00 0.00 C ATOM 181 CG2 ILE A 22 20.360 0.890 -9.730 1.00 0.00 C ATOM 182 CD1 ILE A 22 20.190 2.740 -6.850 1.00 0.00 C ATOM 0 H ILE A 22 22.871 3.642 -8.384 1.00 0.00 H new ATOM 0 HA ILE A 22 23.108 0.771 -8.662 1.00 0.00 H new ATOM 0 HB ILE A 22 20.977 2.841 -9.236 1.00 0.00 H new ATOM 0 HG12 ILE A 22 20.526 0.656 -7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 22 21.986 1.553 -6.910 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.315 1.078 -9.485 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.521 1.064 -10.794 1.00 0.00 H new ATOM 0 HG23 ILE A 22 20.609 -0.144 -9.490 1.00 0.00 H new ATOM 0 HD11 ILE A 22 20.030 2.565 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 22 20.710 3.688 -6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.227 2.777 -7.360 1.00 0.00 H new ATOM 184 N ALA A 23 23.120 2.610 -11.360 1.00 0.00 N ATOM 185 CA ALA A 23 23.420 2.650 -12.800 1.00 0.00 C ATOM 186 C ALA A 23 24.890 2.330 -13.100 1.00 0.00 C ATOM 187 O ALA A 23 25.190 1.490 -13.940 1.00 0.00 O ATOM 188 CB ALA A 23 23.050 4.030 -13.360 1.00 0.00 C ATOM 0 H ALA A 23 22.927 3.528 -10.961 1.00 0.00 H new ATOM 0 HA ALA A 23 22.823 1.878 -13.286 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.272 4.061 -14.427 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.987 4.212 -13.205 1.00 0.00 H new ATOM 0 HB3 ALA A 23 23.629 4.798 -12.847 1.00 0.00 H new ATOM 190 N SER A 24 25.780 2.880 -12.270 1.00 0.00 N ATOM 191 CA SER A 24 27.240 2.660 -12.350 1.00 0.00 C ATOM 192 C SER A 24 27.680 1.490 -11.460 1.00 0.00 C ATOM 193 O SER A 24 28.880 1.220 -11.330 1.00 0.00 O ATOM 194 CB SER A 24 27.960 3.940 -11.900 1.00 0.00 C ATOM 195 OG SER A 24 29.030 4.250 -12.800 1.00 0.00 O ATOM 0 H SER A 24 25.509 3.502 -11.508 1.00 0.00 H new ATOM 0 HA SER A 24 27.498 2.416 -13.381 1.00 0.00 H new ATOM 0 HB2 SER A 24 27.254 4.769 -11.864 1.00 0.00 H new ATOM 0 HB3 SER A 24 28.351 3.810 -10.891 1.00 0.00 H new ATOM 0 HG SER A 24 29.480 5.068 -12.503 1.00 0.00 H new ATOM 198 N ASP A 25 26.720 0.780 -10.860 1.00 0.00 N ATOM 199 CA ASP A 25 26.940 -0.360 -9.940 1.00 0.00 C ATOM 200 C ASP A 25 28.090 -0.080 -8.950 1.00 0.00 C ATOM 201 O ASP A 25 28.970 -0.900 -8.700 1.00 0.00 O ATOM 202 CB ASP A 25 27.160 -1.620 -10.790 1.00 0.00 C ATOM 203 CG ASP A 25 26.580 -2.870 -10.130 1.00 0.00 C ATOM 204 OD1 ASP A 25 26.590 -2.960 -8.880 1.00 0.00 O ATOM 205 OD2 ASP A 25 26.080 -3.720 -10.910 1.00 0.00 O ATOM 0 H ASP A 25 25.730 0.984 -11.001 1.00 0.00 H new ATOM 0 HA ASP A 25 26.064 -0.514 -9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 25 26.700 -1.481 -11.768 1.00 0.00 H new ATOM 0 HB3 ASP A 25 28.228 -1.762 -10.957 1.00 0.00 H new ATOM 207 N GLY A 26 28.030 1.140 -8.420 1.00 0.00 N ATOM 208 CA GLY A 26 29.050 1.720 -7.540 1.00 0.00 C ATOM 209 C GLY A 26 30.140 2.540 -8.250 1.00 0.00 C ATOM 210 O GLY A 26 29.930 3.020 -9.360 1.00 0.00 O ATOM 0 H GLY A 26 27.249 1.773 -8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 26 28.555 2.360 -6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 26 29.529 0.913 -6.985 1.00 0.00 H new ATOM 212 N PRO A 27 31.210 2.830 -7.490 1.00 0.00 N ATOM 213 CA PRO A 27 31.370 2.480 -6.060 1.00 0.00 C ATOM 214 C PRO A 27 30.520 3.380 -5.170 1.00 0.00 C ATOM 215 O PRO A 27 30.240 4.530 -5.490 1.00 0.00 O ATOM 216 CB PRO A 27 32.860 2.650 -5.770 1.00 0.00 C ATOM 217 CG PRO A 27 33.320 3.710 -6.770 1.00 0.00 C ATOM 218 CD PRO A 27 32.410 3.530 -8.000 1.00 0.00 C ATOM 0 HA PRO A 27 31.034 1.464 -5.852 1.00 0.00 H new ATOM 0 HB2 PRO A 27 33.031 2.971 -4.743 1.00 0.00 H new ATOM 0 HB3 PRO A 27 33.401 1.714 -5.906 1.00 0.00 H new ATOM 0 HG2 PRO A 27 33.224 4.712 -6.353 1.00 0.00 H new ATOM 0 HG3 PRO A 27 34.369 3.574 -7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 27 32.148 4.492 -8.441 1.00 0.00 H new ATOM 0 HD3 PRO A 27 32.906 2.948 -8.776 1.00 0.00 H new ATOM 219 N PHE A 28 29.940 2.730 -4.170 1.00 0.00 N ATOM 220 CA PHE A 28 29.020 3.400 -3.240 1.00 0.00 C ATOM 221 C PHE A 28 29.770 3.970 -2.010 1.00 0.00 C ATOM 222 O PHE A 28 30.690 3.330 -1.510 1.00 0.00 O ATOM 223 CB PHE A 28 27.950 2.430 -2.780 1.00 0.00 C ATOM 224 CG PHE A 28 27.030 1.860 -3.870 1.00 0.00 C ATOM 225 CD1 PHE A 28 27.480 0.820 -4.710 1.00 0.00 C ATOM 226 CD2 PHE A 28 25.670 2.240 -3.890 1.00 0.00 C ATOM 227 CE1 PHE A 28 26.590 0.200 -5.610 1.00 0.00 C ATOM 228 CE2 PHE A 28 24.770 1.610 -4.780 1.00 0.00 C ATOM 229 CZ PHE A 28 25.250 0.620 -5.670 1.00 0.00 C ATOM 0 H PHE A 28 30.086 1.739 -3.976 1.00 0.00 H new ATOM 0 HA PHE A 28 28.558 4.232 -3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 28 28.439 1.597 -2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 28 27.330 2.933 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 28 28.510 0.498 -4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 28 25.317 3.013 -3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 28 26.937 -0.596 -6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 28 23.725 1.882 -4.781 1.00 0.00 H new ATOM 0 HZ PHE A 28 24.583 0.185 -6.399 1.00 0.00 H new ATOM 231 N PRO A 29 29.390 5.180 -1.580 1.00 0.00 N ATOM 232 CA PRO A 29 30.040 5.870 -0.460 1.00 0.00 C ATOM 233 C PRO A 29 29.620 5.270 0.890 1.00 0.00 C ATOM 234 O PRO A 29 30.440 4.690 1.600 1.00 0.00 O ATOM 235 CB PRO A 29 29.680 7.350 -0.630 1.00 0.00 C ATOM 236 CG PRO A 29 28.400 7.370 -1.470 1.00 0.00 C ATOM 237 CD PRO A 29 28.380 6.040 -2.230 1.00 0.00 C ATOM 0 HA PRO A 29 31.123 5.751 -0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 29 29.522 7.828 0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 29 30.483 7.894 -1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 29 27.518 7.472 -0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 29 28.397 8.214 -2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 29 27.392 5.581 -2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 29 28.616 6.190 -3.284 1.00 0.00 H new ATOM 238 N TYR A 30 28.330 5.370 1.200 1.00 0.00 N ATOM 239 CA TYR A 30 27.750 4.760 2.410 1.00 0.00 C ATOM 240 C TYR A 30 27.890 3.240 2.410 1.00 0.00 C ATOM 241 O TYR A 30 28.020 2.630 1.360 1.00 0.00 O ATOM 242 CB TYR A 30 26.270 5.160 2.540 1.00 0.00 C ATOM 243 CG TYR A 30 26.050 6.410 3.400 1.00 0.00 C ATOM 244 CD1 TYR A 30 27.130 7.250 3.800 1.00 0.00 C ATOM 245 CD2 TYR A 30 24.720 6.710 3.770 1.00 0.00 C ATOM 246 CE1 TYR A 30 26.870 8.400 4.550 1.00 0.00 C ATOM 247 CE2 TYR A 30 24.460 7.870 4.520 1.00 0.00 C ATOM 248 CZ TYR A 30 25.540 8.700 4.900 1.00 0.00 C ATOM 249 OH TYR A 30 25.290 9.830 5.610 1.00 0.00 O ATOM 0 H TYR A 30 27.653 5.873 0.626 1.00 0.00 H new ATOM 0 HA TYR A 30 28.306 5.136 3.269 1.00 0.00 H new ATOM 0 HB2 TYR A 30 25.860 5.336 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 30 25.713 4.328 2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 30 28.144 6.999 3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 30 23.912 6.055 3.480 1.00 0.00 H new ATOM 0 HE1 TYR A 30 27.677 9.049 4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 30 23.449 8.124 4.802 1.00 0.00 H new ATOM 0 HH TYR A 30 24.327 9.905 5.777 1.00 0.00 H new ATOM 252 N SER A 31 27.830 2.660 3.600 1.00 0.00 N ATOM 253 CA SER A 31 27.870 1.190 3.760 1.00 0.00 C ATOM 254 C SER A 31 26.490 0.540 3.510 1.00 0.00 C ATOM 255 O SER A 31 26.290 -0.670 3.620 1.00 0.00 O ATOM 256 CB SER A 31 28.390 0.840 5.150 1.00 0.00 C ATOM 257 OG SER A 31 28.910 -0.490 5.140 1.00 0.00 O ATOM 0 H SER A 31 27.753 3.174 4.478 1.00 0.00 H new ATOM 0 HA SER A 31 28.548 0.787 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 31 29.167 1.544 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 31 27.587 0.923 5.882 1.00 0.00 H new ATOM 0 HG SER A 31 28.334 -1.062 4.592 1.00 0.00 H new ATOM 260 N GLN A 32 25.530 1.370 3.100 1.00 0.00 N ATOM 261 CA GLN A 32 24.150 0.940 2.820 1.00 0.00 C ATOM 262 C GLN A 32 23.880 0.870 1.320 1.00 0.00 C ATOM 263 O GLN A 32 23.480 1.840 0.680 1.00 0.00 O ATOM 264 CB GLN A 32 23.150 1.880 3.460 1.00 0.00 C ATOM 265 CG GLN A 32 22.740 1.380 4.850 1.00 0.00 C ATOM 266 CD GLN A 32 21.790 2.380 5.510 1.00 0.00 C ATOM 267 OE1 GLN A 32 20.790 2.050 6.120 1.00 0.00 O ATOM 268 NE2 GLN A 32 22.070 3.650 5.410 1.00 0.00 N ATOM 0 H GLN A 32 25.684 2.367 2.950 1.00 0.00 H new ATOM 0 HA GLN A 32 24.035 -0.057 3.246 1.00 0.00 H new ATOM 0 HB2 GLN A 32 23.583 2.877 3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 32 22.268 1.966 2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 32 22.256 0.407 4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.625 1.243 5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 32 22.903 3.950 4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 32 21.456 4.343 5.838 1.00 0.00 H new ATOM 272 N ASP A 33 24.240 -0.320 0.830 1.00 0.00 N ATOM 273 CA ASP A 33 24.130 -0.690 -0.590 1.00 0.00 C ATOM 274 C ASP A 33 24.650 -2.080 -0.900 1.00 0.00 C ATOM 275 O ASP A 33 25.740 -2.450 -0.480 1.00 0.00 O ATOM 276 CB ASP A 33 24.920 0.280 -1.450 1.00 0.00 C ATOM 277 CG ASP A 33 26.380 0.360 -1.070 1.00 0.00 C ATOM 278 OD1 ASP A 33 26.670 1.210 -0.200 1.00 0.00 O ATOM 279 OD2 ASP A 33 27.180 -0.360 -1.720 1.00 0.00 O ATOM 0 H ASP A 33 24.621 -1.065 1.413 1.00 0.00 H new ATOM 0 HA ASP A 33 23.063 -0.660 -0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 33 24.839 -0.022 -2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 33 24.475 1.272 -1.369 1.00 0.00 H new ATOM 281 N GLY A 34 23.900 -2.730 -1.780 1.00 0.00 N ATOM 282 CA GLY A 34 24.210 -4.110 -2.230 1.00 0.00 C ATOM 283 C GLY A 34 23.490 -5.170 -1.390 1.00 0.00 C ATOM 284 O GLY A 34 23.650 -6.360 -1.600 1.00 0.00 O ATOM 0 H GLY A 34 23.063 -2.333 -2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.924 -4.222 -3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 34 25.286 -4.275 -2.175 1.00 0.00 H new ATOM 286 N VAL A 35 22.670 -4.680 -0.460 1.00 0.00 N ATOM 287 CA VAL A 35 21.810 -5.500 0.400 1.00 0.00 C ATOM 288 C VAL A 35 20.390 -5.570 -0.180 1.00 0.00 C ATOM 289 O VAL A 35 19.940 -4.620 -0.820 1.00 0.00 O ATOM 290 CB VAL A 35 21.810 -4.950 1.850 1.00 0.00 C ATOM 291 CG1 VAL A 35 23.140 -5.260 2.550 1.00 0.00 C ATOM 292 CG2 VAL A 35 21.540 -3.440 1.950 1.00 0.00 C ATOM 0 H VAL A 35 22.582 -3.680 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 35 22.206 -6.515 0.434 1.00 0.00 H new ATOM 0 HB VAL A 35 20.983 -5.459 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.117 -4.865 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.291 -6.339 2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 35 23.958 -4.797 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 35 21.557 -3.136 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 35 22.309 -2.896 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 35 20.562 -3.216 1.523 1.00 0.00 H new ATOM 294 N VAL A 36 19.790 -6.740 0.010 1.00 0.00 N ATOM 295 CA VAL A 36 18.410 -7.050 -0.430 1.00 0.00 C ATOM 296 C VAL A 36 17.420 -6.450 0.580 1.00 0.00 C ATOM 297 O VAL A 36 17.730 -6.280 1.750 1.00 0.00 O ATOM 298 CB VAL A 36 18.230 -8.580 -0.620 1.00 0.00 C ATOM 299 CG1 VAL A 36 16.790 -9.100 -0.640 1.00 0.00 C ATOM 300 CG2 VAL A 36 18.880 -9.020 -1.920 1.00 0.00 C ATOM 0 H VAL A 36 20.246 -7.521 0.481 1.00 0.00 H new ATOM 0 HA VAL A 36 18.210 -6.599 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 36 18.701 -9.003 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.795 -10.181 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.302 -8.858 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.245 -8.632 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.750 -10.095 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.414 -8.497 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 36 19.944 -8.784 -1.893 1.00 0.00 H new ATOM 302 N PHE A 37 16.220 -6.210 0.070 1.00 0.00 N ATOM 303 CA PHE A 37 15.090 -5.740 0.880 1.00 0.00 C ATOM 304 C PHE A 37 13.830 -6.500 0.450 1.00 0.00 C ATOM 305 O PHE A 37 13.070 -6.020 -0.380 1.00 0.00 O ATOM 306 CB PHE A 37 14.980 -4.230 0.670 1.00 0.00 C ATOM 307 CG PHE A 37 13.660 -3.630 1.130 1.00 0.00 C ATOM 308 CD1 PHE A 37 13.330 -3.510 2.500 1.00 0.00 C ATOM 309 CD2 PHE A 37 12.760 -3.180 0.150 1.00 0.00 C ATOM 310 CE1 PHE A 37 12.110 -2.910 2.870 1.00 0.00 C ATOM 311 CE2 PHE A 37 11.550 -2.570 0.510 1.00 0.00 C ATOM 312 CZ PHE A 37 11.240 -2.420 1.880 1.00 0.00 C ATOM 0 H PHE A 37 15.996 -6.334 -0.917 1.00 0.00 H new ATOM 0 HA PHE A 37 15.226 -5.929 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 37 15.794 -3.740 1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 37 15.116 -4.011 -0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 37 14.008 -3.876 3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 37 13.003 -3.306 -0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 37 11.843 -2.827 3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.865 -2.220 -0.249 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.326 -1.924 2.170 1.00 0.00 H new ATOM 314 N GLN A 38 13.560 -7.670 1.000 1.00 0.00 N ATOM 315 CA GLN A 38 12.330 -8.420 0.630 1.00 0.00 C ATOM 316 C GLN A 38 11.050 -7.770 1.200 1.00 0.00 C ATOM 317 O GLN A 38 10.230 -8.400 1.860 1.00 0.00 O ATOM 318 CB GLN A 38 12.440 -9.870 1.080 1.00 0.00 C ATOM 319 CG GLN A 38 11.320 -10.730 0.480 1.00 0.00 C ATOM 320 CD GLN A 38 10.370 -11.310 1.540 1.00 0.00 C ATOM 321 OE1 GLN A 38 10.240 -10.880 2.680 1.00 0.00 O ATOM 322 NE2 GLN A 38 9.710 -12.380 1.180 1.00 0.00 N ATOM 0 H GLN A 38 14.150 -8.131 1.693 1.00 0.00 H new ATOM 0 HA GLN A 38 12.246 -8.387 -0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.408 -10.272 0.782 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.395 -9.919 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.745 -10.128 -0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 38 11.763 -11.548 -0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.810 -12.747 0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.095 -12.848 1.846 1.00 0.00 H new ATOM 326 N ASN A 39 10.890 -6.470 0.950 1.00 0.00 N ATOM 327 CA ASN A 39 9.830 -5.630 1.530 1.00 0.00 C ATOM 328 C ASN A 39 9.390 -6.140 2.910 1.00 0.00 C ATOM 329 O ASN A 39 8.250 -6.570 3.120 1.00 0.00 O ATOM 330 CB ASN A 39 8.690 -5.540 0.540 1.00 0.00 C ATOM 331 CG ASN A 39 7.480 -4.800 1.080 1.00 0.00 C ATOM 332 OD1 ASN A 39 7.590 -3.840 1.830 1.00 0.00 O ATOM 333 ND2 ASN A 39 6.310 -5.230 0.650 1.00 0.00 N ATOM 0 H ASN A 39 11.508 -5.954 0.323 1.00 0.00 H new ATOM 0 HA ASN A 39 10.211 -4.625 1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.041 -5.038 -0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.391 -6.547 0.249 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.454 -4.758 0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.261 -6.035 0.025 1.00 0.00 H new ATOM 337 N ARG A 40 10.400 -6.290 3.760 1.00 0.00 N ATOM 338 CA ARG A 40 10.200 -6.810 5.120 1.00 0.00 C ATOM 339 C ARG A 40 9.180 -5.990 5.910 1.00 0.00 C ATOM 340 O ARG A 40 8.480 -6.490 6.790 1.00 0.00 O ATOM 341 CB ARG A 40 11.510 -6.960 5.900 1.00 0.00 C ATOM 342 CG ARG A 40 12.470 -5.780 5.810 1.00 0.00 C ATOM 343 CD ARG A 40 13.470 -6.030 4.680 1.00 0.00 C ATOM 344 NE ARG A 40 14.760 -5.460 5.110 1.00 0.00 N ATOM 345 CZ ARG A 40 15.960 -5.940 4.790 1.00 0.00 C ATOM 346 NH1 ARG A 40 16.110 -7.010 4.020 1.00 0.00 N ATOM 347 NH2 ARG A 40 17.040 -5.380 5.290 1.00 0.00 N ATOM 0 H ARG A 40 11.368 -6.060 3.537 1.00 0.00 H new ATOM 0 HA ARG A 40 9.790 -7.812 4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.269 -7.130 6.949 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.025 -7.852 5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.917 -4.859 5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.996 -5.651 6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.568 -7.097 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.131 -5.563 3.755 1.00 0.00 H new ATOM 0 HE ARG A 40 14.731 -4.629 5.701 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.290 -7.493 3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.045 -7.350 3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.956 -4.582 5.920 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.962 -5.744 5.048 1.00 0.00 H new ATOM 354 N GLU A 41 9.000 -4.770 5.430 1.00 0.00 N ATOM 355 CA GLU A 41 7.990 -3.850 5.950 1.00 0.00 C ATOM 356 C GLU A 41 6.590 -4.040 5.370 1.00 0.00 C ATOM 357 O GLU A 41 5.670 -3.330 5.780 1.00 0.00 O ATOM 358 CB GLU A 41 8.470 -2.440 5.680 1.00 0.00 C ATOM 359 CG GLU A 41 8.490 -1.750 7.030 1.00 0.00 C ATOM 360 CD GLU A 41 8.490 -0.230 6.900 1.00 0.00 C ATOM 361 OE1 GLU A 41 8.920 0.240 5.820 1.00 0.00 O ATOM 362 OE2 GLU A 41 8.130 0.380 7.930 1.00 0.00 O ATOM 0 H GLU A 41 9.552 -4.384 4.664 1.00 0.00 H new ATOM 0 HA GLU A 41 7.884 -4.057 7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.461 -2.444 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.805 -1.925 4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.622 -2.063 7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.374 -2.066 7.584 1.00 0.00 H new ATOM 364 N SER A 42 6.430 -4.940 4.390 1.00 0.00 N ATOM 365 CA SER A 42 5.150 -5.210 3.700 1.00 0.00 C ATOM 366 C SER A 42 4.390 -3.920 3.330 1.00 0.00 C ATOM 367 O SER A 42 3.220 -3.710 3.630 1.00 0.00 O ATOM 368 CB SER A 42 4.330 -6.190 4.540 1.00 0.00 C ATOM 369 OG SER A 42 3.120 -6.540 3.860 1.00 0.00 O ATOM 0 H SER A 42 7.198 -5.515 4.044 1.00 0.00 H new ATOM 0 HA SER A 42 5.353 -5.679 2.737 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.916 -7.088 4.738 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.095 -5.743 5.506 1.00 0.00 H new ATOM 0 HG SER A 42 2.655 -5.724 3.579 1.00 0.00 H new ATOM 372 N VAL A 43 5.160 -3.000 2.750 1.00 0.00 N ATOM 373 CA VAL A 43 4.660 -1.670 2.330 1.00 0.00 C ATOM 374 C VAL A 43 4.930 -1.420 0.830 1.00 0.00 C ATOM 375 O VAL A 43 4.500 -0.440 0.250 1.00 0.00 O ATOM 376 CB VAL A 43 5.200 -0.560 3.260 1.00 0.00 C ATOM 377 CG1 VAL A 43 4.830 0.860 2.830 1.00 0.00 C ATOM 378 CG2 VAL A 43 4.610 -0.690 4.660 1.00 0.00 C ATOM 0 H VAL A 43 6.150 -3.146 2.553 1.00 0.00 H new ATOM 0 HA VAL A 43 3.576 -1.648 2.438 1.00 0.00 H new ATOM 0 HB VAL A 43 6.280 -0.698 3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.249 1.575 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.232 1.055 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.745 0.963 2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.005 0.102 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.525 -0.605 4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.878 -1.660 5.079 1.00 0.00 H new ATOM 380 N LEU A 44 5.670 -2.330 0.200 1.00 0.00 N ATOM 381 CA LEU A 44 5.920 -2.230 -1.250 1.00 0.00 C ATOM 382 C LEU A 44 5.200 -3.320 -2.060 1.00 0.00 C ATOM 383 O LEU A 44 4.840 -4.350 -1.500 1.00 0.00 O ATOM 384 CB LEU A 44 7.420 -2.250 -1.530 1.00 0.00 C ATOM 385 CG LEU A 44 7.920 -0.890 -1.100 1.00 0.00 C ATOM 386 CD1 LEU A 44 8.650 -1.050 0.210 1.00 0.00 C ATOM 387 CD2 LEU A 44 8.920 -0.360 -2.100 1.00 0.00 C ATOM 0 H LEU A 44 6.103 -3.134 0.654 1.00 0.00 H new ATOM 0 HA LEU A 44 5.504 -1.278 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.914 -3.046 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.621 -2.428 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 44 7.073 -0.209 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.021 -0.080 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.969 -1.453 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.489 -1.733 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.272 0.620 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.765 -1.045 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.446 -0.272 -3.077 1.00 0.00 H new ATOM 425 N TYR A 49 11.330 -12.900 -3.510 1.00 0.00 N ATOM 426 CA TYR A 49 12.470 -12.660 -2.630 1.00 0.00 C ATOM 427 C TYR A 49 13.720 -12.280 -3.440 1.00 0.00 C ATOM 428 O TYR A 49 14.060 -12.930 -4.420 1.00 0.00 O ATOM 429 CB TYR A 49 12.720 -13.910 -1.780 1.00 0.00 C ATOM 430 CG TYR A 49 13.810 -13.760 -0.700 1.00 0.00 C ATOM 431 CD1 TYR A 49 14.190 -12.480 -0.240 1.00 0.00 C ATOM 432 CD2 TYR A 49 14.370 -14.930 -0.150 1.00 0.00 C ATOM 433 CE1 TYR A 49 15.140 -12.350 0.790 1.00 0.00 C ATOM 434 CE2 TYR A 49 15.320 -14.810 0.880 1.00 0.00 C ATOM 435 CZ TYR A 49 15.690 -13.520 1.330 1.00 0.00 C ATOM 436 OH TYR A 49 16.610 -13.380 2.320 1.00 0.00 O ATOM 0 HA TYR A 49 12.246 -11.821 -1.972 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.786 -14.193 -1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 49 12.997 -14.731 -2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 49 13.750 -11.598 -0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 49 14.075 -15.903 -0.513 1.00 0.00 H new ATOM 0 HE1 TYR A 49 15.436 -11.377 1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 49 15.762 -15.691 1.322 1.00 0.00 H new ATOM 0 HH TYR A 49 16.915 -14.265 2.611 1.00 0.00 H new ATOM 439 N GLY A 50 14.290 -11.150 -3.030 1.00 0.00 N ATOM 440 CA GLY A 50 15.490 -10.580 -3.680 1.00 0.00 C ATOM 441 C GLY A 50 15.150 -9.710 -4.900 1.00 0.00 C ATOM 442 O GLY A 50 16.040 -9.140 -5.520 1.00 0.00 O ATOM 0 H GLY A 50 13.944 -10.599 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.041 -9.981 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.149 -11.391 -3.990 1.00 0.00 H new ATOM 444 N TYR A 51 13.850 -9.470 -5.070 1.00 0.00 N ATOM 445 CA TYR A 51 13.310 -8.590 -6.120 1.00 0.00 C ATOM 446 C TYR A 51 13.530 -7.100 -5.810 1.00 0.00 C ATOM 447 O TYR A 51 12.990 -6.240 -6.490 1.00 0.00 O ATOM 448 CB TYR A 51 11.810 -8.880 -6.240 1.00 0.00 C ATOM 449 CG TYR A 51 11.370 -9.010 -7.700 1.00 0.00 C ATOM 450 CD1 TYR A 51 11.730 -10.180 -8.400 1.00 0.00 C ATOM 451 CD2 TYR A 51 10.550 -8.010 -8.280 1.00 0.00 C ATOM 452 CE1 TYR A 51 11.250 -10.380 -9.710 1.00 0.00 C ATOM 453 CE2 TYR A 51 10.080 -8.210 -9.600 1.00 0.00 C ATOM 454 CZ TYR A 51 10.450 -9.380 -10.300 1.00 0.00 C ATOM 455 OH TYR A 51 10.180 -9.490 -11.620 1.00 0.00 O ATOM 0 H TYR A 51 13.129 -9.883 -4.478 1.00 0.00 H new ATOM 0 HA TYR A 51 13.834 -8.793 -7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 51 11.574 -9.801 -5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.246 -8.080 -5.760 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.369 -10.917 -7.936 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.290 -7.118 -7.729 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.491 -11.283 -10.252 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.443 -7.474 -10.068 1.00 0.00 H new ATOM 0 HH TYR A 51 9.619 -8.738 -11.903 1.00 0.00 H new ATOM 458 N TYR A 52 14.130 -6.840 -4.650 1.00 0.00 N ATOM 459 CA TYR A 52 14.390 -5.500 -4.120 1.00 0.00 C ATOM 460 C TYR A 52 15.800 -5.430 -3.540 1.00 0.00 C ATOM 461 O TYR A 52 16.340 -6.460 -3.120 1.00 0.00 O ATOM 462 CB TYR A 52 13.410 -5.210 -3.000 1.00 0.00 C ATOM 463 CG TYR A 52 11.960 -4.920 -3.360 1.00 0.00 C ATOM 464 CD1 TYR A 52 11.190 -5.830 -4.100 1.00 0.00 C ATOM 465 CD2 TYR A 52 11.480 -3.660 -2.990 1.00 0.00 C ATOM 466 CE1 TYR A 52 9.910 -5.440 -4.550 1.00 0.00 C ATOM 467 CE2 TYR A 52 10.170 -3.310 -3.360 1.00 0.00 C ATOM 468 CZ TYR A 52 9.410 -4.190 -4.150 1.00 0.00 C ATOM 469 OH TYR A 52 8.090 -3.880 -4.310 1.00 0.00 O ATOM 0 H TYR A 52 14.460 -7.580 -4.031 1.00 0.00 H new ATOM 0 HA TYR A 52 14.283 -4.776 -4.928 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.419 -6.064 -2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.790 -4.355 -2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.571 -6.816 -4.322 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.100 -2.973 -2.434 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.328 -6.089 -5.188 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.749 -2.369 -3.039 1.00 0.00 H new ATOM 0 HH TYR A 52 7.553 -4.697 -4.251 1.00 0.00 H new ATOM 472 N HIS A 53 16.170 -4.200 -3.210 1.00 0.00 N ATOM 473 CA HIS A 53 17.500 -3.850 -2.670 1.00 0.00 C ATOM 474 C HIS A 53 17.450 -2.490 -1.970 1.00 0.00 C ATOM 475 O HIS A 53 16.480 -1.760 -2.070 1.00 0.00 O ATOM 476 CB HIS A 53 18.570 -3.830 -3.760 1.00 0.00 C ATOM 477 CG HIS A 53 18.940 -5.220 -4.280 1.00 0.00 C ATOM 478 ND1 HIS A 53 18.470 -5.800 -5.380 1.00 0.00 N ATOM 479 CD2 HIS A 53 19.760 -6.090 -3.680 1.00 0.00 C ATOM 480 CE1 HIS A 53 18.970 -7.020 -5.460 1.00 0.00 C ATOM 481 NE2 HIS A 53 19.770 -7.200 -4.410 1.00 0.00 N ATOM 0 H HIS A 53 15.551 -3.395 -3.307 1.00 0.00 H new ATOM 0 HA HIS A 53 17.770 -4.621 -1.949 1.00 0.00 H new ATOM 0 HB2 HIS A 53 18.217 -3.222 -4.593 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.466 -3.347 -3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 53 20.313 -5.921 -2.768 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.767 -7.742 -6.237 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.300 -8.046 -4.202 1.00 0.00 H new ATOM 485 N GLU A 54 18.480 -2.240 -1.170 1.00 0.00 N ATOM 486 CA GLU A 54 18.610 -0.980 -0.410 1.00 0.00 C ATOM 487 C GLU A 54 19.880 -0.260 -0.810 1.00 0.00 C ATOM 488 O GLU A 54 20.930 -0.880 -0.970 1.00 0.00 O ATOM 489 CB GLU A 54 18.680 -1.230 1.090 1.00 0.00 C ATOM 490 CG GLU A 54 17.390 -1.880 1.580 1.00 0.00 C ATOM 491 CD GLU A 54 17.680 -3.060 2.500 1.00 0.00 C ATOM 492 OE1 GLU A 54 18.600 -3.840 2.180 1.00 0.00 O ATOM 493 OE2 GLU A 54 16.910 -3.230 3.460 1.00 0.00 O ATOM 0 H GLU A 54 19.249 -2.893 -1.023 1.00 0.00 H new ATOM 0 HA GLU A 54 17.728 -0.381 -0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.529 -1.874 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.843 -0.289 1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.787 -1.143 2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.803 -2.218 0.726 1.00 0.00 H new ATOM 495 N TYR A 55 19.720 1.060 -0.920 1.00 0.00 N ATOM 496 CA TYR A 55 20.780 1.960 -1.400 1.00 0.00 C ATOM 497 C TYR A 55 20.600 3.370 -0.820 1.00 0.00 C ATOM 498 O TYR A 55 20.360 4.340 -1.530 1.00 0.00 O ATOM 499 CB TYR A 55 20.710 2.020 -2.930 1.00 0.00 C ATOM 500 CG TYR A 55 20.960 0.690 -3.640 1.00 0.00 C ATOM 501 CD1 TYR A 55 22.210 0.060 -3.490 1.00 0.00 C ATOM 502 CD2 TYR A 55 19.960 0.160 -4.460 1.00 0.00 C ATOM 503 CE1 TYR A 55 22.470 -1.140 -4.160 1.00 0.00 C ATOM 504 CE2 TYR A 55 20.230 -1.030 -5.170 1.00 0.00 C ATOM 505 CZ TYR A 55 21.470 -1.670 -5.000 1.00 0.00 C ATOM 506 OH TYR A 55 21.690 -2.850 -5.620 1.00 0.00 O ATOM 0 H TYR A 55 18.852 1.539 -0.680 1.00 0.00 H new ATOM 0 HA TYR A 55 21.750 1.581 -1.077 1.00 0.00 H new ATOM 0 HB2 TYR A 55 19.727 2.390 -3.220 1.00 0.00 H new ATOM 0 HB3 TYR A 55 21.441 2.747 -3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.967 0.502 -2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 55 19.002 0.650 -4.549 1.00 0.00 H new ATOM 0 HE1 TYR A 55 23.415 -1.648 -4.037 1.00 0.00 H new ATOM 0 HE2 TYR A 55 19.490 -1.445 -5.838 1.00 0.00 H new ATOM 0 HH TYR A 55 20.909 -3.085 -6.163 1.00 0.00 H new ATOM 509 N THR A 56 20.620 3.450 0.510 1.00 0.00 N ATOM 510 CA THR A 56 20.470 4.740 1.230 1.00 0.00 C ATOM 511 C THR A 56 21.150 5.890 0.510 1.00 0.00 C ATOM 512 O THR A 56 22.360 5.910 0.270 1.00 0.00 O ATOM 513 CB THR A 56 21.000 4.660 2.650 1.00 0.00 C ATOM 514 OG1 THR A 56 20.170 3.710 3.330 1.00 0.00 O ATOM 515 CG2 THR A 56 21.080 5.980 3.440 1.00 0.00 C ATOM 0 H THR A 56 20.738 2.643 1.122 1.00 0.00 H new ATOM 0 HA THR A 56 19.398 4.935 1.258 1.00 0.00 H new ATOM 0 HB THR A 56 22.048 4.365 2.588 1.00 0.00 H new ATOM 0 HG1 THR A 56 19.937 4.055 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 56 21.474 5.784 4.437 1.00 0.00 H new ATOM 0 HG22 THR A 56 21.738 6.676 2.920 1.00 0.00 H new ATOM 0 HG23 THR A 56 20.084 6.415 3.523 1.00 0.00 H new ATOM 518 N VAL A 57 20.270 6.790 0.120 1.00 0.00 N ATOM 519 CA VAL A 57 20.710 7.980 -0.590 1.00 0.00 C ATOM 520 C VAL A 57 21.210 9.010 0.410 1.00 0.00 C ATOM 521 O VAL A 57 20.480 9.390 1.330 1.00 0.00 O ATOM 522 CB VAL A 57 19.600 8.450 -1.530 1.00 0.00 C ATOM 523 CG1 VAL A 57 18.520 9.310 -0.890 1.00 0.00 C ATOM 524 CG2 VAL A 57 20.270 9.240 -2.640 1.00 0.00 C ATOM 0 H VAL A 57 19.264 6.726 0.277 1.00 0.00 H new ATOM 0 HA VAL A 57 21.563 7.777 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 57 19.076 7.560 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.783 9.589 -1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 57 18.031 8.748 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 57 18.971 10.210 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.514 9.598 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.800 10.091 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.977 8.599 -3.167 1.00 0.00 H new ATOM 526 N ILE A 58 22.520 9.210 0.360 1.00 0.00 N ATOM 527 CA ILE A 58 23.160 10.300 1.130 1.00 0.00 C ATOM 528 C ILE A 58 22.290 11.570 1.130 1.00 0.00 C ATOM 529 O ILE A 58 21.690 11.920 0.110 1.00 0.00 O ATOM 530 CB ILE A 58 24.590 10.530 0.610 1.00 0.00 C ATOM 531 CG1 ILE A 58 25.500 9.800 1.580 1.00 0.00 C ATOM 532 CG2 ILE A 58 25.080 11.980 0.470 1.00 0.00 C ATOM 533 CD1 ILE A 58 26.370 8.820 0.800 1.00 0.00 C ATOM 0 H ILE A 58 23.165 8.647 -0.194 1.00 0.00 H new ATOM 0 HA ILE A 58 23.243 10.010 2.177 1.00 0.00 H new ATOM 0 HB ILE A 58 24.602 10.167 -0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 58 26.125 10.512 2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 58 24.908 9.268 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 58 26.103 11.984 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 58 24.435 12.516 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 58 25.050 12.470 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 58 27.028 8.290 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 58 25.734 8.103 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 58 26.970 9.366 0.072 1.00 0.00 H new ATOM 535 N THR A 59 22.400 12.280 2.250 1.00 0.00 N ATOM 536 CA THR A 59 21.640 13.520 2.450 1.00 0.00 C ATOM 537 C THR A 59 22.480 14.640 3.060 1.00 0.00 C ATOM 538 O THR A 59 23.350 14.370 3.890 1.00 0.00 O ATOM 539 CB THR A 59 20.370 13.170 3.210 1.00 0.00 C ATOM 540 OG1 THR A 59 19.620 12.550 2.170 1.00 0.00 O ATOM 541 CG2 THR A 59 19.550 14.320 3.800 1.00 0.00 C ATOM 0 H THR A 59 23.003 12.023 3.031 1.00 0.00 H new ATOM 0 HA THR A 59 21.348 13.949 1.492 1.00 0.00 H new ATOM 0 HB THR A 59 20.610 12.593 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 59 19.684 11.576 2.256 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.675 13.918 4.312 1.00 0.00 H new ATOM 0 HG22 THR A 59 20.162 14.876 4.510 1.00 0.00 H new ATOM 0 HG23 THR A 59 19.228 14.985 2.999 1.00 0.00 H new ATOM 544 N PRO A 60 22.260 15.890 2.600 1.00 0.00 N ATOM 545 CA PRO A 60 23.000 17.040 3.120 1.00 0.00 C ATOM 546 C PRO A 60 22.470 17.420 4.500 1.00 0.00 C ATOM 547 O PRO A 60 21.310 17.150 4.830 1.00 0.00 O ATOM 548 CB PRO A 60 22.780 18.150 2.090 1.00 0.00 C ATOM 549 CG PRO A 60 21.410 17.840 1.490 1.00 0.00 C ATOM 550 CD PRO A 60 21.280 16.320 1.560 1.00 0.00 C ATOM 0 HA PRO A 60 24.063 16.839 3.253 1.00 0.00 H new ATOM 0 HB2 PRO A 60 22.797 19.135 2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 60 23.559 18.145 1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 60 20.614 18.330 2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.341 18.195 0.462 1.00 0.00 H new ATOM 0 HD2 PRO A 60 20.266 16.024 1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 60 21.502 15.861 0.596 1.00 0.00 H new ATOM 551 N GLY A 61 23.410 17.840 5.340 1.00 0.00 N ATOM 552 CA GLY A 61 23.160 18.180 6.760 1.00 0.00 C ATOM 553 C GLY A 61 22.510 17.010 7.530 1.00 0.00 C ATOM 554 O GLY A 61 21.820 17.210 8.530 1.00 0.00 O ATOM 0 H GLY A 61 24.384 17.960 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 61 24.101 18.451 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 61 22.512 19.054 6.815 1.00 0.00 H new ATOM 556 N ALA A 62 22.820 15.800 7.080 1.00 0.00 N ATOM 557 CA ALA A 62 22.320 14.570 7.710 1.00 0.00 C ATOM 558 C ALA A 62 23.430 14.070 8.630 1.00 0.00 C ATOM 559 O ALA A 62 24.400 13.450 8.190 1.00 0.00 O ATOM 560 CB ALA A 62 21.970 13.530 6.640 1.00 0.00 C ATOM 0 H ALA A 62 23.422 15.637 6.273 1.00 0.00 H new ATOM 0 HA ALA A 62 21.409 14.754 8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 62 21.601 12.624 7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 62 21.200 13.931 5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.860 13.295 6.057 1.00 0.00 H new ATOM 562 N ARG A 63 23.350 14.560 9.870 1.00 0.00 N ATOM 563 CA ARG A 63 24.280 14.170 10.950 1.00 0.00 C ATOM 564 C ARG A 63 24.560 12.660 10.990 1.00 0.00 C ATOM 565 O ARG A 63 25.620 12.210 11.430 1.00 0.00 O ATOM 566 CB ARG A 63 23.730 14.570 12.320 1.00 0.00 C ATOM 567 CG ARG A 63 23.940 16.070 12.580 1.00 0.00 C ATOM 568 CD ARG A 63 22.620 16.800 12.810 1.00 0.00 C ATOM 569 NE ARG A 63 22.890 18.130 13.400 1.00 0.00 N ATOM 570 CZ ARG A 63 23.160 18.390 14.680 1.00 0.00 C ATOM 571 NH1 ARG A 63 23.210 17.420 15.600 1.00 0.00 N ATOM 572 NH2 ARG A 63 23.390 19.630 15.080 1.00 0.00 N ATOM 0 H ARG A 63 22.644 15.236 10.160 1.00 0.00 H new ATOM 0 HA ARG A 63 25.209 14.697 10.730 1.00 0.00 H new ATOM 0 HB2 ARG A 63 22.667 14.333 12.373 1.00 0.00 H new ATOM 0 HB3 ARG A 63 24.225 13.989 13.098 1.00 0.00 H new ATOM 0 HG2 ARG A 63 24.583 16.201 13.450 1.00 0.00 H new ATOM 0 HG3 ARG A 63 24.458 16.516 11.731 1.00 0.00 H new ATOM 0 HD2 ARG A 63 22.084 16.910 11.867 1.00 0.00 H new ATOM 0 HD3 ARG A 63 21.981 16.218 13.474 1.00 0.00 H new ATOM 0 HE ARG A 63 22.867 18.927 12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 63 23.039 16.451 15.330 1.00 0.00 H new ATOM 0 HH12 ARG A 63 23.419 17.649 16.572 1.00 0.00 H new ATOM 0 HH21 ARG A 63 23.362 20.396 14.407 1.00 0.00 H new ATOM 0 HH22 ARG A 63 23.596 19.820 16.061 1.00 0.00 H new ATOM 579 N THR A 64 23.550 11.910 10.570 1.00 0.00 N ATOM 580 CA THR A 64 23.600 10.450 10.480 1.00 0.00 C ATOM 581 C THR A 64 23.140 10.020 9.070 1.00 0.00 C ATOM 582 O THR A 64 22.880 10.860 8.210 1.00 0.00 O ATOM 583 CB THR A 64 22.700 9.880 11.590 1.00 0.00 C ATOM 584 OG1 THR A 64 21.370 10.400 11.450 1.00 0.00 O ATOM 585 CG2 THR A 64 23.280 10.200 12.970 1.00 0.00 C ATOM 0 H THR A 64 22.656 12.302 10.276 1.00 0.00 H new ATOM 0 HA THR A 64 24.610 10.066 10.623 1.00 0.00 H new ATOM 0 HB THR A 64 22.657 8.795 11.495 1.00 0.00 H new ATOM 0 HG1 THR A 64 20.799 10.034 12.157 1.00 0.00 H new ATOM 0 HG21 THR A 64 22.630 9.789 13.742 1.00 0.00 H new ATOM 0 HG22 THR A 64 24.273 9.759 13.059 1.00 0.00 H new ATOM 0 HG23 THR A 64 23.351 11.281 13.093 1.00 0.00 H new ATOM 588 N ARG A 65 22.950 8.710 8.900 1.00 0.00 N ATOM 589 CA ARG A 65 22.400 8.130 7.650 1.00 0.00 C ATOM 590 C ARG A 65 21.150 8.840 7.130 1.00 0.00 C ATOM 591 O ARG A 65 20.940 8.920 5.930 1.00 0.00 O ATOM 592 CB ARG A 65 22.090 6.650 7.860 1.00 0.00 C ATOM 593 CG ARG A 65 23.320 5.880 7.390 1.00 0.00 C ATOM 594 CD ARG A 65 23.320 4.450 7.920 1.00 0.00 C ATOM 595 NE ARG A 65 23.620 4.440 9.350 1.00 0.00 N ATOM 596 CZ ARG A 65 23.970 3.360 10.040 1.00 0.00 C ATOM 597 NH1 ARG A 65 23.990 2.150 9.500 1.00 0.00 N ATOM 598 NH2 ARG A 65 24.270 3.510 11.310 1.00 0.00 N ATOM 0 H ARG A 65 23.168 8.016 9.614 1.00 0.00 H new ATOM 0 HA ARG A 65 23.171 8.265 6.891 1.00 0.00 H new ATOM 0 HB2 ARG A 65 21.880 6.443 8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 65 21.207 6.354 7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.347 5.865 6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 65 24.222 6.393 7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 65 22.349 3.989 7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 65 24.059 3.855 7.382 1.00 0.00 H new ATOM 0 HE ARG A 65 23.556 5.324 9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 65 23.731 2.024 8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 65 24.265 1.345 10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 65 24.230 4.435 11.738 1.00 0.00 H new ATOM 0 HH22 ARG A 65 24.543 2.701 11.869 1.00 0.00 H new ATOM 605 N GLY A 66 20.440 9.430 8.090 1.00 0.00 N ATOM 606 CA GLY A 66 19.200 10.170 7.850 1.00 0.00 C ATOM 607 C GLY A 66 18.160 9.150 7.420 1.00 0.00 C ATOM 608 O GLY A 66 18.440 8.140 6.770 1.00 0.00 O ATOM 0 H GLY A 66 20.714 9.408 9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.880 10.692 8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 66 19.343 10.926 7.078 1.00 0.00 H new ATOM 610 N THR A 67 16.950 9.430 7.850 1.00 0.00 N ATOM 611 CA THR A 67 15.750 8.680 7.450 1.00 0.00 C ATOM 612 C THR A 67 15.680 8.330 5.950 1.00 0.00 C ATOM 613 O THR A 67 15.080 7.340 5.520 1.00 0.00 O ATOM 614 CB THR A 67 14.560 9.530 7.880 1.00 0.00 C ATOM 615 OG1 THR A 67 14.750 10.870 7.450 1.00 0.00 O ATOM 616 CG2 THR A 67 14.290 9.460 9.390 1.00 0.00 C ATOM 0 H THR A 67 16.755 10.194 8.497 1.00 0.00 H new ATOM 0 HA THR A 67 15.762 7.704 7.936 1.00 0.00 H new ATOM 0 HB THR A 67 13.671 9.120 7.400 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.104 11.082 6.745 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.432 10.085 9.635 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.081 8.429 9.675 1.00 0.00 H new ATOM 0 HG23 THR A 67 15.165 9.816 9.933 1.00 0.00 H new ATOM 619 N ARG A 68 16.300 9.190 5.150 1.00 0.00 N ATOM 620 CA ARG A 68 16.550 9.000 3.700 1.00 0.00 C ATOM 621 C ARG A 68 17.070 7.600 3.400 1.00 0.00 C ATOM 622 O ARG A 68 17.940 7.050 4.070 1.00 0.00 O ATOM 623 CB ARG A 68 17.610 10.000 3.260 1.00 0.00 C ATOM 624 CG ARG A 68 17.160 11.420 3.570 1.00 0.00 C ATOM 625 CD ARG A 68 16.790 12.130 2.270 1.00 0.00 C ATOM 626 NE ARG A 68 15.340 12.190 2.100 1.00 0.00 N ATOM 627 CZ ARG A 68 14.700 13.110 1.390 1.00 0.00 C ATOM 628 NH1 ARG A 68 15.350 14.100 0.780 1.00 0.00 N ATOM 629 NH2 ARG A 68 13.390 13.050 1.300 1.00 0.00 N ATOM 0 H ARG A 68 16.662 10.079 5.494 1.00 0.00 H new ATOM 0 HA ARG A 68 15.610 9.145 3.168 1.00 0.00 H new ATOM 0 HB2 ARG A 68 18.551 9.790 3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.796 9.896 2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 68 16.304 11.403 4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.956 11.963 4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.201 13.139 2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 68 17.237 11.606 1.425 1.00 0.00 H new ATOM 0 HE ARG A 68 14.779 11.473 2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.365 14.164 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.832 14.794 0.241 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.880 12.304 1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.883 13.750 0.758 1.00 0.00 H new ATOM 636 N ARG A 69 16.390 7.020 2.420 1.00 0.00 N ATOM 637 CA ARG A 69 16.650 5.640 1.990 1.00 0.00 C ATOM 638 C ARG A 69 15.990 5.400 0.630 1.00 0.00 C ATOM 639 O ARG A 69 14.870 5.840 0.380 1.00 0.00 O ATOM 640 CB ARG A 69 16.060 4.680 3.030 1.00 0.00 C ATOM 641 CG ARG A 69 17.060 3.670 3.580 1.00 0.00 C ATOM 642 CD ARG A 69 17.380 2.620 2.530 1.00 0.00 C ATOM 643 NE ARG A 69 17.000 1.300 3.060 1.00 0.00 N ATOM 644 CZ ARG A 69 17.690 0.600 3.960 1.00 0.00 C ATOM 645 NH1 ARG A 69 18.860 0.980 4.420 1.00 0.00 N ATOM 646 NH2 ARG A 69 17.250 -0.550 4.410 1.00 0.00 N ATOM 0 H ARG A 69 15.646 7.484 1.899 1.00 0.00 H new ATOM 0 HA ARG A 69 17.723 5.471 1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 69 15.655 5.262 3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.226 4.142 2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 69 17.974 4.181 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.652 3.191 4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 69 16.838 2.829 1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.442 2.639 2.286 1.00 0.00 H new ATOM 0 HE ARG A 69 16.136 0.887 2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 69 19.281 1.848 4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 69 19.348 0.407 5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.364 -0.925 4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.794 -1.070 5.099 1.00 0.00 H new ATOM 653 N ILE A 70 16.770 4.740 -0.210 1.00 0.00 N ATOM 654 CA ILE A 70 16.340 4.340 -1.560 1.00 0.00 C ATOM 655 C ILE A 70 16.230 2.820 -1.590 1.00 0.00 C ATOM 656 O ILE A 70 17.110 2.100 -1.110 1.00 0.00 O ATOM 657 CB ILE A 70 17.260 4.890 -2.660 1.00 0.00 C ATOM 658 CG1 ILE A 70 16.760 6.300 -2.960 1.00 0.00 C ATOM 659 CG2 ILE A 70 17.350 4.030 -3.940 1.00 0.00 C ATOM 660 CD1 ILE A 70 17.450 7.080 -4.090 1.00 0.00 C ATOM 0 H ILE A 70 17.725 4.461 0.016 1.00 0.00 H new ATOM 0 HA ILE A 70 15.365 4.777 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 70 18.287 4.879 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 70 15.698 6.235 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 70 16.847 6.888 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 70 18.024 4.506 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 70 17.730 3.040 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.360 3.936 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 70 16.989 8.063 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 70 18.509 7.197 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 70 17.342 6.534 -5.027 1.00 0.00 H new ATOM 662 N ILE A 71 15.210 2.420 -2.320 1.00 0.00 N ATOM 663 CA ILE A 71 14.950 0.990 -2.490 1.00 0.00 C ATOM 664 C ILE A 71 14.750 0.720 -3.980 1.00 0.00 C ATOM 665 O ILE A 71 13.950 1.370 -4.620 1.00 0.00 O ATOM 666 CB ILE A 71 13.700 0.600 -1.700 1.00 0.00 C ATOM 667 CG1 ILE A 71 13.640 1.100 -0.240 1.00 0.00 C ATOM 668 CG2 ILE A 71 13.540 -0.910 -1.810 1.00 0.00 C ATOM 669 CD1 ILE A 71 14.810 0.740 0.680 1.00 0.00 C ATOM 0 H ILE A 71 14.557 3.041 -2.798 1.00 0.00 H new ATOM 0 HA ILE A 71 15.786 0.398 -2.118 1.00 0.00 H new ATOM 0 HB ILE A 71 12.853 1.119 -2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 71 13.550 2.186 -0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.726 0.713 0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.655 -1.223 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.430 -1.189 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 71 14.420 -1.400 -1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 71 14.634 1.155 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 71 14.897 -0.344 0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 71 15.733 1.152 0.273 1.00 0.00 H new ATOM 671 N THR A 72 15.460 -0.250 -4.520 1.00 0.00 N ATOM 672 CA THR A 72 15.320 -0.620 -5.940 1.00 0.00 C ATOM 673 C THR A 72 14.540 -1.920 -6.100 1.00 0.00 C ATOM 674 O THR A 72 14.290 -2.610 -5.120 1.00 0.00 O ATOM 675 CB THR A 72 16.690 -0.730 -6.580 1.00 0.00 C ATOM 676 OG1 THR A 72 17.490 -1.480 -5.660 1.00 0.00 O ATOM 677 CG2 THR A 72 17.280 0.650 -6.880 1.00 0.00 C ATOM 0 H THR A 72 16.145 -0.805 -4.007 1.00 0.00 H new ATOM 0 HA THR A 72 14.755 0.163 -6.446 1.00 0.00 H new ATOM 0 HB THR A 72 16.645 -1.231 -7.547 1.00 0.00 H new ATOM 0 HG1 THR A 72 18.118 -0.879 -5.207 1.00 0.00 H new ATOM 0 HG21 THR A 72 18.262 0.534 -7.338 1.00 0.00 H new ATOM 0 HG22 THR A 72 16.622 1.186 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.377 1.214 -5.952 1.00 0.00 H new ATOM 680 N GLY A 73 14.080 -2.150 -7.330 1.00 0.00 N ATOM 681 CA GLY A 73 13.310 -3.350 -7.710 1.00 0.00 C ATOM 682 C GLY A 73 14.160 -4.240 -8.630 1.00 0.00 C ATOM 683 O GLY A 73 15.260 -3.880 -9.030 1.00 0.00 O ATOM 0 H GLY A 73 14.230 -1.504 -8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.019 -3.905 -6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.391 -3.058 -8.218 1.00 0.00 H new ATOM 685 N GLU A 74 13.550 -5.340 -9.060 1.00 0.00 N ATOM 686 CA GLU A 74 14.200 -6.260 -10.020 1.00 0.00 C ATOM 687 C GLU A 74 14.130 -5.730 -11.460 1.00 0.00 C ATOM 688 O GLU A 74 14.770 -6.260 -12.380 1.00 0.00 O ATOM 689 CB GLU A 74 13.560 -7.640 -9.970 1.00 0.00 C ATOM 690 CG GLU A 74 14.410 -8.750 -10.590 1.00 0.00 C ATOM 691 CD GLU A 74 14.900 -9.730 -9.510 1.00 0.00 C ATOM 692 OE1 GLU A 74 15.640 -9.270 -8.620 1.00 0.00 O ATOM 693 OE2 GLU A 74 14.460 -10.890 -9.560 1.00 0.00 O ATOM 0 H GLU A 74 12.615 -5.625 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 74 15.247 -6.329 -9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.353 -7.894 -8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.601 -7.602 -10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.826 -9.287 -11.337 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.265 -8.314 -11.107 1.00 0.00 H new ATOM 695 N ALA A 75 13.260 -4.750 -11.650 1.00 0.00 N ATOM 696 CA ALA A 75 13.110 -4.070 -12.940 1.00 0.00 C ATOM 697 C ALA A 75 13.650 -2.650 -12.780 1.00 0.00 C ATOM 698 O ALA A 75 13.390 -1.960 -11.790 1.00 0.00 O ATOM 699 CB ALA A 75 11.630 -4.060 -13.330 1.00 0.00 C ATOM 0 H ALA A 75 12.638 -4.400 -10.922 1.00 0.00 H new ATOM 0 HA ALA A 75 13.662 -4.580 -13.729 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.510 -3.556 -14.289 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.268 -5.085 -13.411 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.057 -3.532 -12.568 1.00 0.00 H new ATOM 701 N THR A 76 14.520 -2.290 -13.720 1.00 0.00 N ATOM 702 CA THR A 76 15.070 -0.920 -13.790 1.00 0.00 C ATOM 703 C THR A 76 13.890 0.050 -13.840 1.00 0.00 C ATOM 704 O THR A 76 12.820 -0.280 -14.360 1.00 0.00 O ATOM 705 CB THR A 76 16.010 -0.810 -15.010 1.00 0.00 C ATOM 706 OG1 THR A 76 17.180 -1.550 -14.670 1.00 0.00 O ATOM 707 CG2 THR A 76 16.410 0.610 -15.430 1.00 0.00 C ATOM 0 H THR A 76 14.864 -2.918 -14.446 1.00 0.00 H new ATOM 0 HA THR A 76 15.673 -0.671 -12.917 1.00 0.00 H new ATOM 0 HB THR A 76 15.469 -1.194 -15.875 1.00 0.00 H new ATOM 0 HG1 THR A 76 17.816 -1.516 -15.414 1.00 0.00 H new ATOM 0 HG21 THR A 76 17.070 0.561 -16.296 1.00 0.00 H new ATOM 0 HG22 THR A 76 15.516 1.179 -15.687 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.928 1.101 -14.606 1.00 0.00 H new ATOM 710 N GLN A 77 14.120 1.210 -13.210 1.00 0.00 N ATOM 711 CA GLN A 77 13.180 2.360 -13.090 1.00 0.00 C ATOM 712 C GLN A 77 12.170 2.120 -11.940 1.00 0.00 C ATOM 713 O GLN A 77 11.010 2.540 -11.970 1.00 0.00 O ATOM 714 CB GLN A 77 12.440 2.730 -14.390 1.00 0.00 C ATOM 715 CG GLN A 77 13.250 2.490 -15.660 1.00 0.00 C ATOM 716 CD GLN A 77 13.270 3.660 -16.630 1.00 0.00 C ATOM 717 OE1 GLN A 77 12.270 4.130 -17.140 1.00 0.00 O ATOM 718 NE2 GLN A 77 14.480 4.070 -16.940 1.00 0.00 N ATOM 0 H GLN A 77 15.008 1.393 -12.743 1.00 0.00 H new ATOM 0 HA GLN A 77 13.809 3.221 -12.862 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.517 2.153 -14.446 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.156 3.781 -14.347 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.276 2.249 -15.381 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.846 1.617 -16.173 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.292 3.649 -16.489 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.607 4.809 -17.632 1.00 0.00 H new ATOM 722 N GLU A 78 12.670 1.440 -10.920 1.00 0.00 N ATOM 723 CA GLU A 78 11.900 1.110 -9.700 1.00 0.00 C ATOM 724 C GLU A 78 12.700 1.360 -8.420 1.00 0.00 C ATOM 725 O GLU A 78 12.880 0.510 -7.560 1.00 0.00 O ATOM 726 CB GLU A 78 11.360 -0.320 -9.730 1.00 0.00 C ATOM 727 CG GLU A 78 10.000 -0.370 -10.440 1.00 0.00 C ATOM 728 CD GLU A 78 9.160 -1.490 -9.830 1.00 0.00 C ATOM 729 OE1 GLU A 78 9.560 -2.660 -10.020 1.00 0.00 O ATOM 730 OE2 GLU A 78 8.140 -1.140 -9.190 1.00 0.00 O ATOM 0 H GLU A 78 13.629 1.092 -10.902 1.00 0.00 H new ATOM 0 HA GLU A 78 11.047 1.789 -9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.068 -0.971 -10.243 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.259 -0.698 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.486 0.585 -10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.139 -0.542 -11.507 1.00 0.00 H new ATOM 732 N ASP A 79 13.180 2.590 -8.330 1.00 0.00 N ATOM 733 CA ASP A 79 13.970 3.080 -7.190 1.00 0.00 C ATOM 734 C ASP A 79 13.070 3.910 -6.290 1.00 0.00 C ATOM 735 O ASP A 79 12.920 5.100 -6.500 1.00 0.00 O ATOM 736 CB ASP A 79 15.220 3.850 -7.630 1.00 0.00 C ATOM 737 CG ASP A 79 15.170 4.550 -9.000 1.00 0.00 C ATOM 738 OD1 ASP A 79 14.060 4.920 -9.450 1.00 0.00 O ATOM 739 OD2 ASP A 79 16.240 4.560 -9.650 1.00 0.00 O ATOM 0 H ASP A 79 13.035 3.294 -9.053 1.00 0.00 H new ATOM 0 HA ASP A 79 14.345 2.225 -6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.436 4.604 -6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.060 3.155 -7.636 1.00 0.00 H new ATOM 741 N TYR A 80 12.310 3.210 -5.460 1.00 0.00 N ATOM 742 CA TYR A 80 11.450 3.780 -4.390 1.00 0.00 C ATOM 743 C TYR A 80 12.260 4.750 -3.510 1.00 0.00 C ATOM 744 O TYR A 80 13.490 4.820 -3.580 1.00 0.00 O ATOM 745 CB TYR A 80 10.910 2.640 -3.520 1.00 0.00 C ATOM 746 CG TYR A 80 10.430 1.430 -4.330 1.00 0.00 C ATOM 747 CD1 TYR A 80 9.130 1.450 -4.860 1.00 0.00 C ATOM 748 CD2 TYR A 80 11.290 0.330 -4.520 1.00 0.00 C ATOM 749 CE1 TYR A 80 8.670 0.330 -5.580 1.00 0.00 C ATOM 750 CE2 TYR A 80 10.850 -0.780 -5.260 1.00 0.00 C ATOM 751 CZ TYR A 80 9.530 -0.770 -5.760 1.00 0.00 C ATOM 752 OH TYR A 80 9.080 -1.860 -6.430 1.00 0.00 O ATOM 0 H TYR A 80 12.262 2.192 -5.501 1.00 0.00 H new ATOM 0 HA TYR A 80 10.626 4.325 -4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.690 2.319 -2.829 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.084 3.014 -2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.493 2.310 -4.718 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.284 0.340 -4.098 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.670 0.315 -5.989 1.00 0.00 H new ATOM 0 HE2 TYR A 80 11.505 -1.619 -5.442 1.00 0.00 H new ATOM 0 HH TYR A 80 8.991 -2.613 -5.808 1.00 0.00 H new ATOM 755 N TYR A 81 11.550 5.310 -2.550 1.00 0.00 N ATOM 756 CA TYR A 81 12.110 6.330 -1.660 1.00 0.00 C ATOM 757 C TYR A 81 11.190 6.560 -0.470 1.00 0.00 C ATOM 758 O TYR A 81 10.040 6.960 -0.610 1.00 0.00 O ATOM 759 CB TYR A 81 12.220 7.670 -2.390 1.00 0.00 C ATOM 760 CG TYR A 81 13.380 8.500 -1.870 1.00 0.00 C ATOM 761 CD1 TYR A 81 13.370 9.000 -0.550 1.00 0.00 C ATOM 762 CD2 TYR A 81 14.400 8.810 -2.780 1.00 0.00 C ATOM 763 CE1 TYR A 81 14.410 9.830 -0.130 1.00 0.00 C ATOM 764 CE2 TYR A 81 15.440 9.670 -2.370 1.00 0.00 C ATOM 765 CZ TYR A 81 15.420 10.170 -1.060 1.00 0.00 C ATOM 766 OH TYR A 81 16.200 11.230 -0.770 1.00 0.00 O ATOM 0 H TYR A 81 10.575 5.079 -2.359 1.00 0.00 H new ATOM 0 HA TYR A 81 13.089 5.976 -1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.349 7.493 -3.458 1.00 0.00 H new ATOM 0 HB3 TYR A 81 11.291 8.227 -2.269 1.00 0.00 H new ATOM 0 HD1 TYR A 81 12.568 8.743 0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 81 14.390 8.397 -3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.443 10.204 0.882 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.235 9.938 -3.050 1.00 0.00 H new ATOM 0 HH TYR A 81 16.110 11.905 -1.475 1.00 0.00 H new ATOM 769 N THR A 82 11.820 6.470 0.680 1.00 0.00 N ATOM 770 CA THR A 82 11.150 6.760 1.960 1.00 0.00 C ATOM 771 C THR A 82 11.290 8.230 2.360 1.00 0.00 C ATOM 772 O THR A 82 10.320 8.980 2.420 1.00 0.00 O ATOM 773 CB THR A 82 11.510 5.760 3.080 1.00 0.00 C ATOM 774 OG1 THR A 82 11.500 6.380 4.360 1.00 0.00 O ATOM 775 CG2 THR A 82 12.760 4.910 2.860 1.00 0.00 C ATOM 0 H THR A 82 12.799 6.199 0.771 1.00 0.00 H new ATOM 0 HA THR A 82 10.084 6.601 1.798 1.00 0.00 H new ATOM 0 HB THR A 82 10.705 5.026 3.037 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.582 6.627 4.597 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.906 4.249 3.715 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.640 4.313 1.956 1.00 0.00 H new ATOM 0 HG23 THR A 82 13.628 5.560 2.752 1.00 0.00 H new ATOM 778 N GLY A 83 12.520 8.590 2.720 1.00 0.00 N ATOM 779 CA GLY A 83 12.860 9.930 3.240 1.00 0.00 C ATOM 780 C GLY A 83 12.370 10.120 4.690 1.00 0.00 C ATOM 781 O GLY A 83 12.690 11.120 5.330 1.00 0.00 O ATOM 0 H GLY A 83 13.321 7.961 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.940 10.073 3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.413 10.692 2.602 1.00 0.00 H new ATOM 783 N ASP A 84 11.630 9.140 5.220 1.00 0.00 N ATOM 784 CA ASP A 84 11.140 9.100 6.610 1.00 0.00 C ATOM 785 C ASP A 84 11.530 7.810 7.370 1.00 0.00 C ATOM 786 O ASP A 84 11.020 7.560 8.460 1.00 0.00 O ATOM 787 CB ASP A 84 9.620 9.270 6.650 1.00 0.00 C ATOM 788 CG ASP A 84 9.110 10.680 6.370 1.00 0.00 C ATOM 789 OD1 ASP A 84 9.430 11.570 7.180 1.00 0.00 O ATOM 790 OD2 ASP A 84 8.330 10.790 5.400 1.00 0.00 O ATOM 0 H ASP A 84 11.344 8.324 4.679 1.00 0.00 H new ATOM 0 HA ASP A 84 11.629 9.931 7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.177 8.591 5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.263 8.962 7.633 1.00 0.00 H new ATOM 792 N HIS A 85 12.520 7.080 6.840 1.00 0.00 N ATOM 793 CA HIS A 85 13.080 5.820 7.360 1.00 0.00 C ATOM 794 C HIS A 85 12.040 4.710 7.370 1.00 0.00 C ATOM 795 O HIS A 85 11.270 4.580 8.310 1.00 0.00 O ATOM 796 CB HIS A 85 13.640 6.020 8.770 1.00 0.00 C ATOM 797 CG HIS A 85 14.490 4.850 9.230 1.00 0.00 C ATOM 798 ND1 HIS A 85 14.080 3.880 10.040 1.00 0.00 N ATOM 799 CD2 HIS A 85 15.770 4.670 8.950 1.00 0.00 C ATOM 800 CE1 HIS A 85 15.120 3.080 10.270 1.00 0.00 C ATOM 801 NE2 HIS A 85 16.160 3.580 9.600 1.00 0.00 N ATOM 0 H HIS A 85 12.984 7.371 5.979 1.00 0.00 H new ATOM 0 HA HIS A 85 13.889 5.523 6.693 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.238 6.931 8.794 1.00 0.00 H new ATOM 0 HB3 HIS A 85 12.815 6.162 9.468 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.382 5.292 8.313 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.121 2.192 10.884 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.102 3.188 9.589 1.00 0.00 H new ATOM 805 N TYR A 86 11.970 4.020 6.230 1.00 0.00 N ATOM 806 CA TYR A 86 10.970 2.960 6.030 1.00 0.00 C ATOM 807 C TYR A 86 9.530 3.380 6.390 1.00 0.00 C ATOM 808 O TYR A 86 8.680 2.590 6.760 1.00 0.00 O ATOM 809 CB TYR A 86 11.380 1.760 6.900 1.00 0.00 C ATOM 810 CG TYR A 86 12.360 0.820 6.210 1.00 0.00 C ATOM 811 CD1 TYR A 86 13.510 1.330 5.550 1.00 0.00 C ATOM 812 CD2 TYR A 86 12.080 -0.560 6.280 1.00 0.00 C ATOM 813 CE1 TYR A 86 14.370 0.420 4.930 1.00 0.00 C ATOM 814 CE2 TYR A 86 12.960 -1.460 5.680 1.00 0.00 C ATOM 815 CZ TYR A 86 14.080 -0.950 4.990 1.00 0.00 C ATOM 816 OH TYR A 86 14.800 -1.780 4.210 1.00 0.00 O ATOM 0 H TYR A 86 12.588 4.172 5.433 1.00 0.00 H new ATOM 0 HA TYR A 86 10.955 2.718 4.967 1.00 0.00 H new ATOM 0 HB2 TYR A 86 11.828 2.126 7.823 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.487 1.201 7.179 1.00 0.00 H new ATOM 0 HD1 TYR A 86 13.714 2.390 5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 86 11.197 -0.915 6.791 1.00 0.00 H new ATOM 0 HE1 TYR A 86 15.250 0.769 4.410 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.788 -2.524 5.742 1.00 0.00 H new ATOM 0 HH TYR A 86 14.248 -2.086 3.461 1.00 0.00 H new ATOM 819 N ALA A 87 9.260 4.670 6.300 1.00 0.00 N ATOM 820 CA ALA A 87 7.940 5.160 6.710 1.00 0.00 C ATOM 821 C ALA A 87 6.990 5.290 5.520 1.00 0.00 C ATOM 822 O ALA A 87 5.770 5.210 5.680 1.00 0.00 O ATOM 823 CB ALA A 87 8.040 6.450 7.510 1.00 0.00 C ATOM 0 H ALA A 87 9.906 5.382 5.960 1.00 0.00 H new ATOM 0 HA ALA A 87 7.510 4.411 7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.041 6.780 7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 87 8.634 6.277 8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.517 7.219 6.902 1.00 0.00 H new ATOM 825 N THR A 88 7.590 5.400 4.340 1.00 0.00 N ATOM 826 CA THR A 88 6.900 5.580 3.050 1.00 0.00 C ATOM 827 C THR A 88 7.830 5.100 1.930 1.00 0.00 C ATOM 828 O THR A 88 8.920 4.610 2.210 1.00 0.00 O ATOM 829 CB THR A 88 6.580 7.060 2.810 1.00 0.00 C ATOM 830 OG1 THR A 88 7.780 7.790 3.020 1.00 0.00 O ATOM 831 CG2 THR A 88 5.430 7.580 3.680 1.00 0.00 C ATOM 0 H THR A 88 8.605 5.366 4.243 1.00 0.00 H new ATOM 0 HA THR A 88 5.970 5.011 3.063 1.00 0.00 H new ATOM 0 HB THR A 88 6.224 7.191 1.788 1.00 0.00 H new ATOM 0 HG1 THR A 88 8.315 7.783 2.199 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.255 8.633 3.461 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.526 7.010 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.690 7.467 4.732 1.00 0.00 H new ATOM 834 N PHE A 89 7.320 5.070 0.710 1.00 0.00 N ATOM 835 CA PHE A 89 8.050 4.570 -0.480 1.00 0.00 C ATOM 836 C PHE A 89 7.440 5.230 -1.710 1.00 0.00 C ATOM 837 O PHE A 89 6.230 5.200 -1.860 1.00 0.00 O ATOM 838 CB PHE A 89 7.940 3.050 -0.610 1.00 0.00 C ATOM 839 CG PHE A 89 8.590 2.320 0.570 1.00 0.00 C ATOM 840 CD1 PHE A 89 9.990 2.110 0.600 1.00 0.00 C ATOM 841 CD2 PHE A 89 7.780 1.950 1.680 1.00 0.00 C ATOM 842 CE1 PHE A 89 10.580 1.530 1.740 1.00 0.00 C ATOM 843 CE2 PHE A 89 8.380 1.390 2.830 1.00 0.00 C ATOM 844 CZ PHE A 89 9.780 1.170 2.840 1.00 0.00 C ATOM 0 H PHE A 89 6.376 5.393 0.498 1.00 0.00 H new ATOM 0 HA PHE A 89 9.108 4.815 -0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.889 2.768 -0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.414 2.731 -1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 89 10.601 2.392 -0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.711 2.097 1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 89 11.646 1.362 1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.780 1.133 3.690 1.00 0.00 H new ATOM 0 HZ PHE A 89 10.240 0.719 3.706 1.00 0.00 H new ATOM 846 N SER A 90 8.250 5.990 -2.430 1.00 0.00 N ATOM 847 CA SER A 90 7.790 6.680 -3.640 1.00 0.00 C ATOM 848 C SER A 90 8.850 6.480 -4.730 1.00 0.00 C ATOM 849 O SER A 90 10.010 6.820 -4.520 1.00 0.00 O ATOM 850 CB SER A 90 7.610 8.190 -3.420 1.00 0.00 C ATOM 851 OG SER A 90 7.090 8.440 -2.110 1.00 0.00 O ATOM 0 H SER A 90 9.232 6.149 -2.203 1.00 0.00 H new ATOM 0 HA SER A 90 6.822 6.264 -3.920 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.566 8.699 -3.543 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.933 8.596 -4.172 1.00 0.00 H new ATOM 0 HG SER A 90 6.981 9.405 -1.980 1.00 0.00 H new ATOM 854 N LEU A 91 8.460 5.800 -5.800 1.00 0.00 N ATOM 855 CA LEU A 91 9.320 5.550 -6.970 1.00 0.00 C ATOM 856 C LEU A 91 10.020 6.840 -7.440 1.00 0.00 C ATOM 857 O LEU A 91 9.630 7.930 -7.060 1.00 0.00 O ATOM 858 CB LEU A 91 8.500 4.980 -8.130 1.00 0.00 C ATOM 859 CG LEU A 91 8.070 3.530 -7.940 1.00 0.00 C ATOM 860 CD1 LEU A 91 7.170 3.090 -9.100 1.00 0.00 C ATOM 861 CD2 LEU A 91 9.310 2.660 -7.940 1.00 0.00 C ATOM 0 H LEU A 91 7.527 5.398 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 91 10.077 4.828 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 91 7.611 5.595 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 91 9.086 5.056 -9.046 1.00 0.00 H new ATOM 0 HG LEU A 91 7.523 3.434 -7.002 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.869 2.053 -8.954 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.284 3.724 -9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.716 3.180 -10.039 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.023 1.617 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 91 9.833 2.772 -8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.967 2.964 -7.125 1.00 0.00 H new ATOM 863 N ILE A 92 11.040 6.730 -8.270 1.00 0.00 N ATOM 864 CA ILE A 92 11.760 7.920 -8.760 1.00 0.00 C ATOM 865 C ILE A 92 11.510 8.080 -10.260 1.00 0.00 C ATOM 866 O ILE A 92 11.980 7.300 -11.080 1.00 0.00 O ATOM 867 CB ILE A 92 13.240 7.810 -8.330 1.00 0.00 C ATOM 868 CG1 ILE A 92 13.520 8.390 -6.950 1.00 0.00 C ATOM 869 CG2 ILE A 92 14.200 8.580 -9.230 1.00 0.00 C ATOM 870 CD1 ILE A 92 12.760 7.820 -5.760 1.00 0.00 C ATOM 0 H ILE A 92 11.397 5.842 -8.624 1.00 0.00 H new ATOM 0 HA ILE A 92 11.394 8.846 -8.317 1.00 0.00 H new ATOM 0 HB ILE A 92 13.402 6.733 -8.372 1.00 0.00 H new ATOM 0 HG12 ILE A 92 14.585 8.274 -6.751 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.318 9.460 -6.992 1.00 0.00 H new ATOM 0 HG21 ILE A 92 15.220 8.455 -8.865 1.00 0.00 H new ATOM 0 HG22 ILE A 92 14.130 8.198 -10.248 1.00 0.00 H new ATOM 0 HG23 ILE A 92 13.938 9.638 -9.221 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.069 8.335 -4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 92 11.690 7.960 -5.911 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.977 6.756 -5.666 1.00 0.00 H new ATOM 872 N ASP A 93 10.700 9.090 -10.570 1.00 0.00 N ATOM 873 CA ASP A 93 10.410 9.460 -11.970 1.00 0.00 C ATOM 874 C ASP A 93 11.600 10.230 -12.540 1.00 0.00 C ATOM 875 O ASP A 93 11.640 11.460 -12.550 1.00 0.00 O ATOM 876 CB ASP A 93 9.120 10.290 -12.060 1.00 0.00 C ATOM 877 CG ASP A 93 8.070 9.690 -13.000 1.00 0.00 C ATOM 878 OD1 ASP A 93 8.340 8.630 -13.600 1.00 0.00 O ATOM 879 OD2 ASP A 93 6.990 10.320 -13.080 1.00 0.00 O ATOM 0 H ASP A 93 10.229 9.672 -9.877 1.00 0.00 H new ATOM 0 HA ASP A 93 10.255 8.556 -12.558 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.690 10.387 -11.063 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.368 11.296 -12.400 1.00 0.00 H new ATOM 881 N GLN A 94 12.520 9.450 -13.100 1.00 0.00 N ATOM 882 CA GLN A 94 13.730 10.000 -13.750 1.00 0.00 C ATOM 883 C GLN A 94 13.430 10.530 -15.170 1.00 0.00 C ATOM 884 O GLN A 94 14.330 10.920 -15.920 1.00 0.00 O ATOM 885 CB GLN A 94 14.830 8.950 -13.860 1.00 0.00 C ATOM 886 CG GLN A 94 15.090 8.240 -12.530 1.00 0.00 C ATOM 887 CD GLN A 94 14.850 6.750 -12.690 1.00 0.00 C ATOM 888 OE1 GLN A 94 13.750 6.250 -12.920 1.00 0.00 O ATOM 889 NE2 GLN A 94 15.940 6.020 -12.720 1.00 0.00 N ATOM 0 H GLN A 94 12.460 8.432 -13.122 1.00 0.00 H new ATOM 0 HA GLN A 94 14.063 10.823 -13.117 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.552 8.214 -14.614 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.750 9.425 -14.202 1.00 0.00 H new ATOM 0 HG2 GLN A 94 16.115 8.420 -12.205 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.435 8.643 -11.758 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.846 6.448 -12.527 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.882 5.025 -12.936 1.00 0.00 H new ATOM 893 N THR A 95 12.150 10.510 -15.500 1.00 0.00 N ATOM 894 CA THR A 95 11.580 10.940 -16.790 1.00 0.00 C ATOM 895 C THR A 95 10.530 12.070 -16.630 1.00 0.00 C ATOM 896 O THR A 95 10.010 12.600 -17.610 1.00 0.00 O ATOM 897 CB THR A 95 10.990 9.730 -17.530 1.00 0.00 C ATOM 898 OG1 THR A 95 10.510 10.150 -18.810 1.00 0.00 O ATOM 899 CG2 THR A 95 9.900 8.990 -16.740 1.00 0.00 C ATOM 0 H THR A 95 11.435 10.179 -14.852 1.00 0.00 H new ATOM 0 HA THR A 95 12.390 11.361 -17.386 1.00 0.00 H new ATOM 0 HB THR A 95 11.792 9.002 -17.652 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.123 11.047 -18.736 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.533 8.149 -17.328 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.316 8.623 -15.802 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.077 9.672 -16.529 1.00 0.00 H new ATOM 902 N CYS A 96 10.270 12.480 -15.390 1.00 0.00 N ATOM 903 CA CYS A 96 9.300 13.570 -15.120 1.00 0.00 C ATOM 904 C CYS A 96 9.510 14.800 -16.030 1.00 0.00 C ATOM 905 O CYS A 96 8.470 15.350 -16.470 1.00 0.00 O ATOM 906 CB CYS A 96 9.410 13.960 -13.650 1.00 0.00 C ATOM 907 SG CYS A 96 8.200 15.210 -13.090 1.00 0.00 S ATOM 908 OXT CYS A 96 10.690 15.140 -16.280 1.00 0.00 O ATOM 0 H CYS A 96 10.706 12.087 -14.556 1.00 0.00 H new ATOM 0 HA CYS A 96 8.299 13.201 -15.344 1.00 0.00 H new ATOM 0 HB2 CYS A 96 9.291 13.063 -13.042 1.00 0.00 H new ATOM 0 HB3 CYS A 96 10.415 14.340 -13.465 1.00 0.00 H new