USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=29 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 52 TYR OH : rot 88:sc= 0.747 USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 32 GLN : amide:sc= -2.31 K(o=-3.5,f=-5.7!) USER MOD Set 2.2: A 56 THR OG1 : rot -120:sc= -1.2 USER MOD Single : A 1 ASP N :NH3+ -155:sc= 0.0512 (180deg=0) 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 -170:sc= -3.2! USER MOD Single : A 18 THR OG1 : rot -126:sc= -2.64! USER MOD Single : A 20 ASN : amide:sc=-0.00511 X(o=-0.0051,f=-0.18) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -9:sc= 0.175 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0393 X(o=-0.039,f=-0.016) USER MOD Single : A 39 ASN : amide:sc= -1.34 K(o=-1.3,f=-4.8!) USER MOD Single : A 42 SER OG : rot -48:sc= 0.291 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 48 SER OG : rot 180:sc= 0 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= -0.983 K(o=-0.98,f=-1.9!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 19:sc= -1.26! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00181 USER MOD Single : A 72 THR OG1 : rot -136:sc= 0.832 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.84) USER MOD Single : A 81 TYR OH : rot -100:sc= -0.0238 USER MOD Single : A 82 THR OG1 : rot 53:sc= 0.779 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -67:sc= 2.07 USER MOD Single : A 88 THR OG1 : rot 95:sc= 0.242 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.6!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.300 0.100 0.040 1.00 0.00 N ATOM 2 CA ASP A 1 2.050 0.080 -1.240 1.00 0.00 C ATOM 3 C ASP A 1 2.530 -1.350 -1.570 1.00 0.00 C ATOM 4 O ASP A 1 1.930 -2.320 -1.120 1.00 0.00 O ATOM 5 CB ASP A 1 3.180 1.130 -1.140 1.00 0.00 C ATOM 6 CG ASP A 1 4.420 0.710 -0.350 1.00 0.00 C ATOM 7 OD1 ASP A 1 4.280 0.210 0.790 1.00 0.00 O ATOM 8 OD2 ASP A 1 5.510 0.870 -0.950 1.00 0.00 O ATOM 0 H1 ASP A 1 0.646 0.909 0.047 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.759 -0.783 0.139 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.968 0.188 0.832 1.00 0.00 H new ATOM 0 HA ASP A 1 1.416 0.356 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 1 3.491 1.397 -2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 1 2.771 2.032 -0.684 1.00 0.00 H new ATOM 12 N VAL A 2 3.600 -1.440 -2.350 1.00 0.00 N ATOM 13 CA VAL A 2 4.380 -2.670 -2.640 1.00 0.00 C ATOM 14 C VAL A 2 4.340 -3.600 -1.410 1.00 0.00 C ATOM 15 O VAL A 2 4.630 -3.150 -0.300 1.00 0.00 O ATOM 16 CB VAL A 2 5.830 -2.250 -2.930 1.00 0.00 C ATOM 17 CG1 VAL A 2 6.770 -3.390 -3.300 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.830 -1.280 -4.110 1.00 0.00 C ATOM 0 H VAL A 2 3.979 -0.623 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 2 3.963 -3.201 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 2 6.197 -1.815 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.768 -2.993 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.812 -4.108 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.404 -3.886 -4.199 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.853 -0.972 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.404 -1.771 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.233 -0.403 -3.860 1.00 0.00 H new ATOM 20 N SER A 3 4.070 -4.880 -1.670 1.00 0.00 N ATOM 21 CA SER A 3 3.970 -5.910 -0.620 1.00 0.00 C ATOM 22 C SER A 3 5.220 -6.040 0.270 1.00 0.00 C ATOM 23 O SER A 3 5.210 -6.710 1.300 1.00 0.00 O ATOM 24 CB SER A 3 3.650 -7.270 -1.240 1.00 0.00 C ATOM 25 OG SER A 3 2.380 -7.210 -1.910 1.00 0.00 O ATOM 0 H SER A 3 3.914 -5.238 -2.612 1.00 0.00 H new ATOM 0 HA SER A 3 3.162 -5.578 0.031 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.431 -7.552 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.628 -8.037 -0.466 1.00 0.00 H new ATOM 0 HG SER A 3 2.178 -8.083 -2.308 1.00 0.00 H new ATOM 28 N GLY A 4 6.290 -5.410 -0.200 1.00 0.00 N ATOM 29 CA GLY A 4 7.590 -5.310 0.480 1.00 0.00 C ATOM 30 C GLY A 4 8.680 -5.770 -0.490 1.00 0.00 C ATOM 31 O GLY A 4 8.480 -5.800 -1.700 1.00 0.00 O ATOM 0 H GLY A 4 6.283 -4.933 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.774 -4.284 0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.597 -5.928 1.378 1.00 0.00 H new ATOM 33 N THR A 5 9.860 -5.930 0.060 1.00 0.00 N ATOM 34 CA THR A 5 11.010 -6.420 -0.710 1.00 0.00 C ATOM 35 C THR A 5 11.020 -7.950 -0.770 1.00 0.00 C ATOM 36 O THR A 5 10.160 -8.630 -0.230 1.00 0.00 O ATOM 37 CB THR A 5 12.290 -5.830 -0.080 1.00 0.00 C ATOM 38 OG1 THR A 5 12.020 -4.490 0.350 1.00 0.00 O ATOM 39 CG2 THR A 5 13.460 -5.740 -1.060 1.00 0.00 C ATOM 0 H THR A 5 10.063 -5.731 1.040 1.00 0.00 H new ATOM 0 HA THR A 5 10.949 -6.091 -1.747 1.00 0.00 H new ATOM 0 HB THR A 5 12.565 -6.497 0.737 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.827 -4.107 0.753 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.327 -5.317 -0.553 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.705 -6.737 -1.427 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.183 -5.102 -1.899 1.00 0.00 H new ATOM 42 N VAL A 6 11.890 -8.460 -1.640 1.00 0.00 N ATOM 43 CA VAL A 6 12.010 -9.890 -1.920 1.00 0.00 C ATOM 44 C VAL A 6 13.480 -10.180 -2.220 1.00 0.00 C ATOM 45 O VAL A 6 14.130 -9.500 -3.020 1.00 0.00 O ATOM 46 CB VAL A 6 11.020 -10.270 -3.050 1.00 0.00 C ATOM 47 CG1 VAL A 6 11.360 -9.750 -4.440 1.00 0.00 C ATOM 48 CG2 VAL A 6 10.790 -11.780 -3.070 1.00 0.00 C ATOM 0 H VAL A 6 12.539 -7.885 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 6 11.732 -10.517 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 6 10.097 -9.749 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.598 -10.078 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.394 -8.661 -4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.331 -10.139 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.092 -12.031 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.738 -12.290 -3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.375 -12.098 -2.113 1.00 0.00 H new ATOM 50 N CYS A 7 14.050 -10.900 -1.260 1.00 0.00 N ATOM 51 CA CYS A 7 15.440 -11.360 -1.340 1.00 0.00 C ATOM 52 C CYS A 7 15.730 -11.890 -2.750 1.00 0.00 C ATOM 53 O CYS A 7 14.900 -12.560 -3.350 1.00 0.00 O ATOM 54 CB CYS A 7 15.660 -12.460 -0.300 1.00 0.00 C ATOM 55 SG CYS A 7 15.410 -11.840 1.400 1.00 0.00 S ATOM 0 H CYS A 7 13.568 -11.182 -0.407 1.00 0.00 H new ATOM 0 HA CYS A 7 16.119 -10.532 -1.136 1.00 0.00 H new ATOM 0 HB2 CYS A 7 14.974 -13.285 -0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 7 16.670 -12.857 -0.398 1.00 0.00 H new ATOM 57 N LEU A 8 16.830 -11.430 -3.320 1.00 0.00 N ATOM 58 CA LEU A 8 17.270 -11.890 -4.650 1.00 0.00 C ATOM 59 C LEU A 8 17.350 -13.420 -4.740 1.00 0.00 C ATOM 60 O LEU A 8 16.790 -13.990 -5.670 1.00 0.00 O ATOM 61 CB LEU A 8 18.620 -11.290 -5.000 1.00 0.00 C ATOM 62 CG LEU A 8 18.710 -10.680 -6.410 1.00 0.00 C ATOM 63 CD1 LEU A 8 20.170 -10.870 -6.790 1.00 0.00 C ATOM 64 CD2 LEU A 8 17.820 -11.300 -7.500 1.00 0.00 C ATOM 0 H LEU A 8 17.444 -10.737 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 8 16.520 -11.552 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.859 -10.517 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 8 19.381 -12.064 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 8 18.351 -9.652 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 8 20.342 -10.465 -7.787 1.00 0.00 H new ATOM 0 HD12 LEU A 8 20.804 -10.348 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 8 20.412 -11.933 -6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.981 -10.777 -8.443 1.00 0.00 H new ATOM 0 HD22 LEU A 8 18.074 -12.353 -7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 8 16.773 -11.210 -7.210 1.00 0.00 H new ATOM 66 N SER A 9 17.770 -14.040 -3.640 1.00 0.00 N ATOM 67 CA SER A 9 17.800 -15.510 -3.470 1.00 0.00 C ATOM 68 C SER A 9 16.390 -16.150 -3.420 1.00 0.00 C ATOM 69 O SER A 9 16.230 -17.350 -3.620 1.00 0.00 O ATOM 70 CB SER A 9 18.590 -15.880 -2.210 1.00 0.00 C ATOM 71 OG SER A 9 18.790 -17.290 -2.160 1.00 0.00 O ATOM 0 H SER A 9 18.107 -13.535 -2.820 1.00 0.00 H new ATOM 0 HA SER A 9 18.295 -15.914 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 9 19.552 -15.367 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.052 -15.549 -1.322 1.00 0.00 H new ATOM 0 HG SER A 9 19.297 -17.520 -1.353 1.00 0.00 H new ATOM 74 N ALA A 10 15.370 -15.320 -3.180 1.00 0.00 N ATOM 75 CA ALA A 10 13.960 -15.760 -3.180 1.00 0.00 C ATOM 76 C ALA A 10 13.390 -15.850 -4.610 1.00 0.00 C ATOM 77 O ALA A 10 12.550 -16.700 -4.900 1.00 0.00 O ATOM 78 CB ALA A 10 13.120 -14.790 -2.340 1.00 0.00 C ATOM 0 H ALA A 10 15.491 -14.327 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 10 13.917 -16.759 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 10 12.080 -15.115 -2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.495 -14.776 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.187 -13.789 -2.765 1.00 0.00 H new ATOM 80 N LEU A 11 13.850 -14.960 -5.470 1.00 0.00 N ATOM 81 CA LEU A 11 13.480 -14.870 -6.900 1.00 0.00 C ATOM 82 C LEU A 11 14.290 -15.900 -7.740 1.00 0.00 C ATOM 83 O LEU A 11 15.200 -16.530 -7.210 1.00 0.00 O ATOM 84 CB LEU A 11 13.880 -13.460 -7.330 1.00 0.00 C ATOM 85 CG LEU A 11 13.180 -12.380 -6.510 1.00 0.00 C ATOM 86 CD1 LEU A 11 14.190 -11.270 -6.320 1.00 0.00 C ATOM 87 CD2 LEU A 11 11.890 -11.910 -7.180 1.00 0.00 C ATOM 0 H LEU A 11 14.521 -14.243 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 11 12.420 -15.076 -7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.959 -13.345 -7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.641 -13.323 -8.385 1.00 0.00 H new ATOM 0 HG LEU A 11 12.858 -12.761 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.741 -10.466 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.062 -11.658 -5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.496 -10.886 -7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.420 -11.141 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.119 -11.499 -8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.208 -12.754 -7.289 1.00 0.00 H new ATOM 89 N PRO A 12 13.990 -16.060 -9.040 1.00 0.00 N ATOM 90 CA PRO A 12 14.780 -16.950 -9.920 1.00 0.00 C ATOM 91 C PRO A 12 16.230 -16.460 -10.170 1.00 0.00 C ATOM 92 O PRO A 12 16.490 -15.260 -10.010 1.00 0.00 O ATOM 93 CB PRO A 12 13.930 -17.020 -11.190 1.00 0.00 C ATOM 94 CG PRO A 12 13.170 -15.700 -11.240 1.00 0.00 C ATOM 95 CD PRO A 12 12.820 -15.520 -9.760 1.00 0.00 C ATOM 0 HA PRO A 12 14.954 -17.929 -9.474 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.554 -17.148 -12.074 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.245 -17.867 -11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.783 -14.884 -11.623 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.283 -15.756 -11.871 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.652 -14.471 -9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.909 -16.058 -9.498 1.00 0.00 H new ATOM 96 N PRO A 13 17.150 -17.290 -10.720 1.00 0.00 N ATOM 97 CA PRO A 13 18.530 -16.860 -11.050 1.00 0.00 C ATOM 98 C PRO A 13 18.600 -15.820 -12.180 1.00 0.00 C ATOM 99 O PRO A 13 19.480 -14.960 -12.210 1.00 0.00 O ATOM 100 CB PRO A 13 19.260 -18.150 -11.410 1.00 0.00 C ATOM 101 CG PRO A 13 18.170 -19.060 -11.950 1.00 0.00 C ATOM 102 CD PRO A 13 16.930 -18.700 -11.120 1.00 0.00 C ATOM 0 HA PRO A 13 18.988 -16.343 -10.207 1.00 0.00 H new ATOM 0 HB2 PRO A 13 20.036 -17.973 -12.155 1.00 0.00 H new ATOM 0 HB3 PRO A 13 19.748 -18.587 -10.539 1.00 0.00 H new ATOM 0 HG2 PRO A 13 18.000 -18.890 -13.013 1.00 0.00 H new ATOM 0 HG3 PRO A 13 18.435 -20.111 -11.834 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.016 -18.809 -11.704 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.832 -19.349 -10.250 1.00 0.00 H new ATOM 103 N GLU A 14 17.550 -15.800 -12.990 1.00 0.00 N ATOM 104 CA GLU A 14 17.350 -14.800 -14.060 1.00 0.00 C ATOM 105 C GLU A 14 16.740 -13.480 -13.580 1.00 0.00 C ATOM 106 O GLU A 14 16.870 -12.470 -14.270 1.00 0.00 O ATOM 107 CB GLU A 14 16.550 -15.360 -15.240 1.00 0.00 C ATOM 108 CG GLU A 14 15.320 -16.180 -14.850 1.00 0.00 C ATOM 109 CD GLU A 14 15.610 -17.660 -14.590 1.00 0.00 C ATOM 110 OE1 GLU A 14 16.580 -18.190 -15.160 1.00 0.00 O ATOM 111 OE2 GLU A 14 14.890 -18.210 -13.740 1.00 0.00 O ATOM 0 H GLU A 14 16.795 -16.483 -12.931 1.00 0.00 H new ATOM 0 HA GLU A 14 18.359 -14.569 -14.403 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.231 -14.530 -15.871 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.209 -15.984 -15.844 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.876 -15.745 -13.954 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.578 -16.101 -15.644 1.00 0.00 H new ATOM 113 N ALA A 15 16.300 -13.440 -12.320 1.00 0.00 N ATOM 114 CA ALA A 15 15.800 -12.200 -11.680 1.00 0.00 C ATOM 115 C ALA A 15 16.900 -11.140 -11.520 1.00 0.00 C ATOM 116 O ALA A 15 16.650 -9.950 -11.700 1.00 0.00 O ATOM 117 CB ALA A 15 15.140 -12.480 -10.350 1.00 0.00 C ATOM 0 H ALA A 15 16.276 -14.257 -11.709 1.00 0.00 H new ATOM 0 HA ALA A 15 15.047 -11.795 -12.355 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.788 -11.545 -9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.295 -13.153 -10.498 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.860 -12.945 -9.677 1.00 0.00 H new ATOM 119 N THR A 16 18.130 -11.620 -11.370 1.00 0.00 N ATOM 120 CA THR A 16 19.340 -10.770 -11.340 1.00 0.00 C ATOM 121 C THR A 16 19.720 -10.230 -12.720 1.00 0.00 C ATOM 122 O THR A 16 20.280 -9.140 -12.830 1.00 0.00 O ATOM 123 CB THR A 16 20.490 -11.470 -10.600 1.00 0.00 C ATOM 124 OG1 THR A 16 20.930 -10.530 -9.630 1.00 0.00 O ATOM 125 CG2 THR A 16 21.700 -11.930 -11.440 1.00 0.00 C ATOM 0 H THR A 16 18.329 -12.615 -11.264 1.00 0.00 H new ATOM 0 HA THR A 16 19.104 -9.878 -10.760 1.00 0.00 H new ATOM 0 HB THR A 16 20.095 -12.407 -10.207 1.00 0.00 H new ATOM 0 HG1 THR A 16 21.765 -10.845 -9.224 1.00 0.00 H new ATOM 0 HG21 THR A 16 22.434 -12.407 -10.790 1.00 0.00 H new ATOM 0 HG22 THR A 16 21.368 -12.641 -12.196 1.00 0.00 H new ATOM 0 HG23 THR A 16 22.154 -11.067 -11.927 1.00 0.00 H new ATOM 128 N ASP A 17 19.380 -11.000 -13.760 1.00 0.00 N ATOM 129 CA ASP A 17 19.730 -10.670 -15.160 1.00 0.00 C ATOM 130 C ASP A 17 19.270 -9.250 -15.480 1.00 0.00 C ATOM 131 O ASP A 17 20.110 -8.390 -15.690 1.00 0.00 O ATOM 132 CB ASP A 17 19.080 -11.660 -16.140 1.00 0.00 C ATOM 133 CG ASP A 17 19.630 -11.610 -17.570 1.00 0.00 C ATOM 134 OD1 ASP A 17 20.360 -10.640 -17.890 1.00 0.00 O ATOM 135 OD2 ASP A 17 19.270 -12.530 -18.320 1.00 0.00 O ATOM 0 H ASP A 17 18.855 -11.869 -13.663 1.00 0.00 H new ATOM 0 HA ASP A 17 20.812 -10.741 -15.271 1.00 0.00 H new ATOM 0 HB2 ASP A 17 19.209 -12.670 -15.752 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.008 -11.466 -16.172 1.00 0.00 H new ATOM 137 N THR A 18 17.990 -8.970 -15.260 1.00 0.00 N ATOM 138 CA THR A 18 17.440 -7.620 -15.440 1.00 0.00 C ATOM 139 C THR A 18 18.170 -6.530 -14.650 1.00 0.00 C ATOM 140 O THR A 18 18.500 -5.490 -15.210 1.00 0.00 O ATOM 141 CB THR A 18 15.950 -7.640 -15.170 1.00 0.00 C ATOM 142 OG1 THR A 18 15.360 -8.390 -16.230 1.00 0.00 O ATOM 143 CG2 THR A 18 15.320 -6.270 -15.160 1.00 0.00 C ATOM 0 H THR A 18 17.305 -9.661 -14.954 1.00 0.00 H new ATOM 0 HA THR A 18 17.609 -7.339 -16.480 1.00 0.00 H new ATOM 0 HB THR A 18 15.785 -8.068 -14.181 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.652 -7.859 -16.651 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.252 -6.362 -14.961 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.783 -5.662 -14.383 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.468 -5.794 -16.129 1.00 0.00 H new ATOM 146 N LEU A 19 18.390 -6.760 -13.360 1.00 0.00 N ATOM 147 CA LEU A 19 19.130 -5.810 -12.510 1.00 0.00 C ATOM 148 C LEU A 19 20.530 -5.490 -13.060 1.00 0.00 C ATOM 149 O LEU A 19 20.910 -4.330 -13.130 1.00 0.00 O ATOM 150 CB LEU A 19 19.230 -6.370 -11.090 1.00 0.00 C ATOM 151 CG LEU A 19 17.920 -6.960 -10.550 1.00 0.00 C ATOM 152 CD1 LEU A 19 18.150 -7.200 -9.070 1.00 0.00 C ATOM 153 CD2 LEU A 19 16.670 -6.100 -10.760 1.00 0.00 C ATOM 0 H LEU A 19 18.069 -7.596 -12.871 1.00 0.00 H new ATOM 0 HA LEU A 19 18.576 -4.871 -12.503 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.998 -7.143 -11.070 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.560 -5.575 -10.421 1.00 0.00 H new ATOM 0 HG LEU A 19 17.702 -7.868 -11.111 1.00 0.00 H new ATOM 0 HD11 LEU A 19 17.249 -7.622 -8.625 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.979 -7.895 -8.939 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.388 -6.255 -8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.803 -6.610 -10.341 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.801 -5.140 -10.262 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.515 -5.937 -11.827 1.00 0.00 H new ATOM 155 N ASN A 20 21.140 -6.510 -13.670 1.00 0.00 N ATOM 156 CA ASN A 20 22.410 -6.380 -14.400 1.00 0.00 C ATOM 157 C ASN A 20 22.230 -5.600 -15.700 1.00 0.00 C ATOM 158 O ASN A 20 22.990 -4.690 -15.990 1.00 0.00 O ATOM 159 CB ASN A 20 22.920 -7.770 -14.760 1.00 0.00 C ATOM 160 CG ASN A 20 24.340 -8.000 -14.300 1.00 0.00 C ATOM 161 OD1 ASN A 20 25.210 -7.140 -14.330 1.00 0.00 O ATOM 162 ND2 ASN A 20 24.590 -9.220 -13.900 1.00 0.00 N ATOM 0 H ASN A 20 20.765 -7.459 -13.673 1.00 0.00 H new ATOM 0 HA ASN A 20 23.112 -5.848 -13.758 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.269 -8.520 -14.311 1.00 0.00 H new ATOM 0 HB3 ASN A 20 22.864 -7.906 -15.840 1.00 0.00 H new ATOM 0 HD21 ASN A 20 25.531 -9.476 -13.602 1.00 0.00 H new ATOM 0 HD22 ASN A 20 23.844 -9.915 -13.886 1.00 0.00 H new ATOM 166 N LEU A 21 21.140 -5.870 -16.400 1.00 0.00 N ATOM 167 CA LEU A 21 20.770 -5.150 -17.620 1.00 0.00 C ATOM 168 C LEU A 21 20.410 -3.680 -17.340 1.00 0.00 C ATOM 169 O LEU A 21 20.690 -2.830 -18.170 1.00 0.00 O ATOM 170 CB LEU A 21 19.590 -5.890 -18.240 1.00 0.00 C ATOM 171 CG LEU A 21 19.730 -7.370 -18.580 1.00 0.00 C ATOM 172 CD1 LEU A 21 18.360 -7.950 -18.940 1.00 0.00 C ATOM 173 CD2 LEU A 21 20.730 -7.640 -19.700 1.00 0.00 C ATOM 0 H LEU A 21 20.478 -6.601 -16.140 1.00 0.00 H new ATOM 0 HA LEU A 21 21.619 -5.125 -18.304 1.00 0.00 H new ATOM 0 HB2 LEU A 21 18.746 -5.789 -17.558 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.322 -5.367 -19.158 1.00 0.00 H new ATOM 0 HG LEU A 21 20.124 -7.863 -17.692 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.465 -9.008 -19.182 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.683 -7.837 -18.093 1.00 0.00 H new ATOM 0 HD13 LEU A 21 17.955 -7.419 -19.801 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.781 -8.712 -19.892 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.410 -7.124 -20.605 1.00 0.00 H new ATOM 0 HD23 LEU A 21 21.714 -7.277 -19.404 1.00 0.00 H new ATOM 175 N ILE A 22 19.810 -3.360 -16.200 1.00 0.00 N ATOM 176 CA ILE A 22 19.570 -1.970 -15.750 1.00 0.00 C ATOM 177 C ILE A 22 20.890 -1.270 -15.380 1.00 0.00 C ATOM 178 O ILE A 22 21.120 -0.130 -15.780 1.00 0.00 O ATOM 179 CB ILE A 22 18.580 -1.980 -14.580 1.00 0.00 C ATOM 180 CG1 ILE A 22 17.220 -2.320 -15.180 1.00 0.00 C ATOM 181 CG2 ILE A 22 18.480 -0.650 -13.810 1.00 0.00 C ATOM 182 CD1 ILE A 22 16.490 -3.300 -14.270 1.00 0.00 C ATOM 0 H ILE A 22 19.466 -4.061 -15.543 1.00 0.00 H new ATOM 0 HA ILE A 22 19.133 -1.397 -16.568 1.00 0.00 H new ATOM 0 HB ILE A 22 18.928 -2.705 -13.844 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.629 -1.413 -15.303 1.00 0.00 H new ATOM 0 HG13 ILE A 22 17.347 -2.754 -16.172 1.00 0.00 H new ATOM 0 HG21 ILE A 22 17.756 -0.751 -13.001 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.455 -0.396 -13.395 1.00 0.00 H new ATOM 0 HG23 ILE A 22 18.157 0.140 -14.488 1.00 0.00 H new ATOM 0 HD11 ILE A 22 15.518 -3.542 -14.701 1.00 0.00 H new ATOM 0 HD12 ILE A 22 17.079 -4.211 -14.170 1.00 0.00 H new ATOM 0 HD13 ILE A 22 16.349 -2.849 -13.288 1.00 0.00 H new ATOM 184 N ALA A 23 21.730 -2.000 -14.650 1.00 0.00 N ATOM 185 CA ALA A 23 23.040 -1.510 -14.190 1.00 0.00 C ATOM 186 C ALA A 23 24.030 -1.320 -15.350 1.00 0.00 C ATOM 187 O ALA A 23 24.600 -0.250 -15.510 1.00 0.00 O ATOM 188 CB ALA A 23 23.620 -2.480 -13.160 1.00 0.00 C ATOM 0 H ALA A 23 21.525 -2.955 -14.356 1.00 0.00 H new ATOM 0 HA ALA A 23 22.885 -0.532 -13.734 1.00 0.00 H new ATOM 0 HB1 ALA A 23 24.590 -2.114 -12.822 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.943 -2.555 -12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 23 23.741 -3.463 -13.614 1.00 0.00 H new ATOM 190 N SER A 24 24.060 -2.300 -16.250 1.00 0.00 N ATOM 191 CA SER A 24 24.930 -2.300 -17.450 1.00 0.00 C ATOM 192 C SER A 24 24.230 -1.680 -18.670 1.00 0.00 C ATOM 193 O SER A 24 24.760 -1.690 -19.780 1.00 0.00 O ATOM 194 CB SER A 24 25.340 -3.740 -17.740 1.00 0.00 C ATOM 195 OG SER A 24 26.650 -3.800 -18.300 1.00 0.00 O ATOM 0 H SER A 24 23.477 -3.134 -16.176 1.00 0.00 H new ATOM 0 HA SER A 24 25.808 -1.686 -17.252 1.00 0.00 H new ATOM 0 HB2 SER A 24 25.308 -4.322 -16.819 1.00 0.00 H new ATOM 0 HB3 SER A 24 24.626 -4.193 -18.428 1.00 0.00 H new ATOM 0 HG SER A 24 26.889 -4.734 -18.475 1.00 0.00 H new ATOM 198 N ASP A 25 23.020 -1.130 -18.460 1.00 0.00 N ATOM 199 CA ASP A 25 22.150 -0.550 -19.520 1.00 0.00 C ATOM 200 C ASP A 25 22.090 -1.430 -20.780 1.00 0.00 C ATOM 201 O ASP A 25 21.920 -0.960 -21.910 1.00 0.00 O ATOM 202 CB ASP A 25 22.610 0.880 -19.810 1.00 0.00 C ATOM 203 CG ASP A 25 21.430 1.840 -19.820 1.00 0.00 C ATOM 204 OD1 ASP A 25 20.700 1.880 -20.840 1.00 0.00 O ATOM 205 OD2 ASP A 25 21.250 2.520 -18.780 1.00 0.00 O ATOM 0 H ASP A 25 22.603 -1.071 -17.531 1.00 0.00 H new ATOM 0 HA ASP A 25 21.122 -0.517 -19.159 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.332 1.194 -19.056 1.00 0.00 H new ATOM 0 HB3 ASP A 25 23.119 0.914 -20.773 1.00 0.00 H new ATOM 207 N GLY A 26 22.100 -2.740 -20.520 1.00 0.00 N ATOM 208 CA GLY A 26 22.150 -3.800 -21.530 1.00 0.00 C ATOM 209 C GLY A 26 23.490 -4.540 -21.650 1.00 0.00 C ATOM 210 O GLY A 26 24.270 -4.560 -20.710 1.00 0.00 O ATOM 0 H GLY A 26 22.073 -3.104 -19.568 1.00 0.00 H new ATOM 0 HA2 GLY A 26 21.372 -4.529 -21.304 1.00 0.00 H new ATOM 0 HA3 GLY A 26 21.908 -3.365 -22.500 1.00 0.00 H new ATOM 212 N PRO A 27 23.620 -5.280 -22.770 1.00 0.00 N ATOM 213 CA PRO A 27 22.570 -5.490 -23.790 1.00 0.00 C ATOM 214 C PRO A 27 21.470 -6.450 -23.310 1.00 0.00 C ATOM 215 O PRO A 27 21.720 -7.380 -22.550 1.00 0.00 O ATOM 216 CB PRO A 27 23.310 -6.040 -25.010 1.00 0.00 C ATOM 217 CG PRO A 27 24.520 -6.740 -24.420 1.00 0.00 C ATOM 218 CD PRO A 27 24.880 -5.930 -23.170 1.00 0.00 C ATOM 0 HA PRO A 27 22.043 -4.562 -24.015 1.00 0.00 H new ATOM 0 HB2 PRO A 27 22.686 -6.731 -25.577 1.00 0.00 H new ATOM 0 HB3 PRO A 27 23.604 -5.242 -25.692 1.00 0.00 H new ATOM 0 HG2 PRO A 27 24.292 -7.775 -24.167 1.00 0.00 H new ATOM 0 HG3 PRO A 27 25.348 -6.760 -25.129 1.00 0.00 H new ATOM 0 HD2 PRO A 27 25.263 -6.573 -22.378 1.00 0.00 H new ATOM 0 HD3 PRO A 27 25.655 -5.194 -23.385 1.00 0.00 H new ATOM 219 N PHE A 28 20.250 -6.050 -23.630 1.00 0.00 N ATOM 220 CA PHE A 28 19.030 -6.780 -23.250 1.00 0.00 C ATOM 221 C PHE A 28 18.670 -7.890 -24.250 1.00 0.00 C ATOM 222 O PHE A 28 19.090 -7.810 -25.410 1.00 0.00 O ATOM 223 CB PHE A 28 17.860 -5.790 -23.090 1.00 0.00 C ATOM 224 CG PHE A 28 18.030 -4.870 -21.880 1.00 0.00 C ATOM 225 CD1 PHE A 28 18.840 -3.720 -22.000 1.00 0.00 C ATOM 226 CD2 PHE A 28 17.270 -5.100 -20.710 1.00 0.00 C ATOM 227 CE1 PHE A 28 18.890 -2.780 -20.950 1.00 0.00 C ATOM 228 CE2 PHE A 28 17.320 -4.160 -19.650 1.00 0.00 C ATOM 229 CZ PHE A 28 18.150 -3.010 -19.770 1.00 0.00 C ATOM 0 H PHE A 28 20.066 -5.202 -24.166 1.00 0.00 H new ATOM 0 HA PHE A 28 19.225 -7.273 -22.297 1.00 0.00 H new ATOM 0 HB2 PHE A 28 17.775 -5.185 -23.993 1.00 0.00 H new ATOM 0 HB3 PHE A 28 16.928 -6.347 -22.990 1.00 0.00 H new ATOM 0 HD1 PHE A 28 19.421 -3.560 -22.896 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.656 -5.985 -20.625 1.00 0.00 H new ATOM 0 HE1 PHE A 28 19.492 -1.888 -21.048 1.00 0.00 H new ATOM 0 HE2 PHE A 28 16.732 -4.315 -18.757 1.00 0.00 H new ATOM 0 HZ PHE A 28 18.214 -2.308 -18.952 1.00 0.00 H new ATOM 231 N PRO A 29 17.970 -8.950 -23.810 1.00 0.00 N ATOM 232 CA PRO A 29 17.560 -10.050 -24.700 1.00 0.00 C ATOM 233 C PRO A 29 16.490 -9.640 -25.720 1.00 0.00 C ATOM 234 O PRO A 29 16.700 -9.690 -26.930 1.00 0.00 O ATOM 235 CB PRO A 29 17.100 -11.160 -23.740 1.00 0.00 C ATOM 236 CG PRO A 29 16.650 -10.410 -22.490 1.00 0.00 C ATOM 237 CD PRO A 29 17.610 -9.230 -22.400 1.00 0.00 C ATOM 0 HA PRO A 29 18.377 -10.382 -25.341 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.286 -11.745 -24.168 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.910 -11.855 -23.518 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.616 -10.077 -22.575 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.709 -11.041 -21.603 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.138 -8.367 -21.930 1.00 0.00 H new ATOM 0 HD3 PRO A 29 18.490 -9.476 -21.805 1.00 0.00 H new ATOM 238 N TYR A 30 15.380 -9.140 -25.190 1.00 0.00 N ATOM 239 CA TYR A 30 14.210 -8.660 -25.950 1.00 0.00 C ATOM 240 C TYR A 30 14.050 -7.140 -25.790 1.00 0.00 C ATOM 241 O TYR A 30 14.670 -6.540 -24.910 1.00 0.00 O ATOM 242 CB TYR A 30 12.950 -9.410 -25.470 1.00 0.00 C ATOM 243 CG TYR A 30 12.880 -9.690 -23.950 1.00 0.00 C ATOM 244 CD1 TYR A 30 13.210 -8.680 -23.030 1.00 0.00 C ATOM 245 CD2 TYR A 30 12.590 -11.010 -23.540 1.00 0.00 C ATOM 246 CE1 TYR A 30 13.280 -8.980 -21.660 1.00 0.00 C ATOM 247 CE2 TYR A 30 12.650 -11.320 -22.170 1.00 0.00 C ATOM 248 CZ TYR A 30 13.000 -10.300 -21.260 1.00 0.00 C ATOM 249 OH TYR A 30 13.120 -10.580 -19.950 1.00 0.00 O ATOM 0 H TYR A 30 15.256 -9.050 -24.182 1.00 0.00 H new ATOM 0 HA TYR A 30 14.356 -8.863 -27.011 1.00 0.00 H new ATOM 0 HB2 TYR A 30 12.072 -8.830 -25.756 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.890 -10.361 -26.000 1.00 0.00 H new ATOM 0 HD1 TYR A 30 13.409 -7.676 -23.376 1.00 0.00 H new ATOM 0 HD2 TYR A 30 12.327 -11.766 -24.265 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.540 -8.222 -20.936 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.433 -12.319 -21.821 1.00 0.00 H new ATOM 0 HH TYR A 30 13.534 -9.820 -19.490 1.00 0.00 H new ATOM 252 N SER A 31 13.170 -6.560 -26.610 1.00 0.00 N ATOM 253 CA SER A 31 12.780 -5.130 -26.540 1.00 0.00 C ATOM 254 C SER A 31 11.910 -4.780 -25.330 1.00 0.00 C ATOM 255 O SER A 31 10.790 -4.280 -25.420 1.00 0.00 O ATOM 256 CB SER A 31 12.070 -4.690 -27.830 1.00 0.00 C ATOM 257 OG SER A 31 13.020 -4.340 -28.830 1.00 0.00 O ATOM 0 H SER A 31 12.696 -7.069 -27.356 1.00 0.00 H new ATOM 0 HA SER A 31 13.715 -4.583 -26.423 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.432 -5.496 -28.193 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.422 -3.839 -27.623 1.00 0.00 H new ATOM 0 HG SER A 31 12.551 -4.064 -29.645 1.00 0.00 H new ATOM 260 N GLN A 32 12.450 -5.080 -24.150 1.00 0.00 N ATOM 261 CA GLN A 32 11.790 -4.780 -22.870 1.00 0.00 C ATOM 262 C GLN A 32 12.720 -4.090 -21.900 1.00 0.00 C ATOM 263 O GLN A 32 13.220 -4.650 -20.920 1.00 0.00 O ATOM 264 CB GLN A 32 11.180 -6.030 -22.250 1.00 0.00 C ATOM 265 CG GLN A 32 9.670 -5.950 -22.380 1.00 0.00 C ATOM 266 CD GLN A 32 9.070 -7.350 -22.300 1.00 0.00 C ATOM 267 OE1 GLN A 32 9.710 -8.350 -22.550 1.00 0.00 O ATOM 268 NE2 GLN A 32 7.850 -7.450 -21.820 1.00 0.00 N ATOM 0 H GLN A 32 13.356 -5.537 -24.049 1.00 0.00 H new ATOM 0 HA GLN A 32 10.979 -4.086 -23.089 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.556 -6.922 -22.751 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.465 -6.109 -21.201 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.260 -5.323 -21.588 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.402 -5.483 -23.328 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.314 -6.608 -21.611 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.440 -8.370 -21.657 1.00 0.00 H new ATOM 272 N ASP A 33 13.020 -2.870 -22.340 1.00 0.00 N ATOM 273 CA ASP A 33 13.930 -1.970 -21.640 1.00 0.00 C ATOM 274 C ASP A 33 14.020 -0.570 -22.230 1.00 0.00 C ATOM 275 O ASP A 33 14.030 -0.420 -23.450 1.00 0.00 O ATOM 276 CB ASP A 33 15.330 -2.540 -21.680 1.00 0.00 C ATOM 277 CG ASP A 33 16.010 -2.600 -23.050 1.00 0.00 C ATOM 278 OD1 ASP A 33 15.720 -3.580 -23.780 1.00 0.00 O ATOM 279 OD2 ASP A 33 16.880 -1.730 -23.260 1.00 0.00 O ATOM 0 H ASP A 33 12.635 -2.477 -23.199 1.00 0.00 H new ATOM 0 HA ASP A 33 13.523 -1.887 -20.632 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.958 -1.947 -21.015 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.298 -3.550 -21.272 1.00 0.00 H new ATOM 281 N GLY A 34 14.400 0.330 -21.330 1.00 0.00 N ATOM 282 CA GLY A 34 14.550 1.770 -21.640 1.00 0.00 C ATOM 283 C GLY A 34 13.190 2.450 -21.840 1.00 0.00 C ATOM 284 O GLY A 34 13.100 3.600 -22.240 1.00 0.00 O ATOM 0 H GLY A 34 14.616 0.094 -20.361 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.088 2.263 -20.830 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.152 1.888 -22.541 1.00 0.00 H new ATOM 286 N VAL A 35 12.140 1.700 -21.480 1.00 0.00 N ATOM 287 CA VAL A 35 10.750 2.170 -21.470 1.00 0.00 C ATOM 288 C VAL A 35 10.360 2.590 -20.060 1.00 0.00 C ATOM 289 O VAL A 35 10.710 1.930 -19.090 1.00 0.00 O ATOM 290 CB VAL A 35 9.780 1.100 -22.020 1.00 0.00 C ATOM 291 CG1 VAL A 35 9.940 0.930 -23.530 1.00 0.00 C ATOM 292 CG2 VAL A 35 9.910 -0.270 -21.340 1.00 0.00 C ATOM 0 H VAL A 35 12.236 0.729 -21.181 1.00 0.00 H new ATOM 0 HA VAL A 35 10.676 3.034 -22.131 1.00 0.00 H new ATOM 0 HB VAL A 35 8.785 1.479 -21.789 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.244 0.171 -23.886 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.730 1.877 -24.027 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.961 0.621 -23.755 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.196 -0.965 -21.782 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.922 -0.651 -21.480 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.705 -0.168 -20.274 1.00 0.00 H new ATOM 294 N VAL A 36 9.580 3.660 -20.030 1.00 0.00 N ATOM 295 CA VAL A 36 9.040 4.260 -18.800 1.00 0.00 C ATOM 296 C VAL A 36 7.710 3.590 -18.420 1.00 0.00 C ATOM 297 O VAL A 36 6.970 3.110 -19.280 1.00 0.00 O ATOM 298 CB VAL A 36 8.920 5.790 -18.970 1.00 0.00 C ATOM 299 CG1 VAL A 36 8.160 6.470 -17.850 1.00 0.00 C ATOM 300 CG2 VAL A 36 10.290 6.470 -18.980 1.00 0.00 C ATOM 0 H VAL A 36 9.293 4.153 -20.875 1.00 0.00 H new ATOM 0 HA VAL A 36 9.724 4.085 -17.970 1.00 0.00 H new ATOM 0 HB VAL A 36 8.390 5.899 -19.916 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.117 7.543 -18.038 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.148 6.069 -17.802 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.668 6.288 -16.903 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.161 7.546 -19.102 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.802 6.270 -18.039 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.884 6.080 -19.807 1.00 0.00 H new ATOM 302 N PHE A 37 7.420 3.670 -17.130 1.00 0.00 N ATOM 303 CA PHE A 37 6.150 3.230 -16.540 1.00 0.00 C ATOM 304 C PHE A 37 5.460 4.400 -15.820 1.00 0.00 C ATOM 305 O PHE A 37 5.860 4.790 -14.720 1.00 0.00 O ATOM 306 CB PHE A 37 6.460 2.060 -15.590 1.00 0.00 C ATOM 307 CG PHE A 37 5.200 1.400 -15.000 1.00 0.00 C ATOM 308 CD1 PHE A 37 4.280 0.760 -15.850 1.00 0.00 C ATOM 309 CD2 PHE A 37 5.010 1.430 -13.610 1.00 0.00 C ATOM 310 CE1 PHE A 37 3.140 0.140 -15.300 1.00 0.00 C ATOM 311 CE2 PHE A 37 3.880 0.790 -13.050 1.00 0.00 C ATOM 312 CZ PHE A 37 2.950 0.160 -13.900 1.00 0.00 C ATOM 0 H PHE A 37 8.071 4.050 -16.443 1.00 0.00 H new ATOM 0 HA PHE A 37 5.455 2.892 -17.309 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.037 1.308 -16.128 1.00 0.00 H new ATOM 0 HB3 PHE A 37 7.088 2.420 -14.775 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.446 0.744 -16.917 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.720 1.937 -12.974 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.419 -0.345 -15.942 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.731 0.784 -11.980 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.078 -0.315 -13.475 1.00 0.00 H new ATOM 314 N GLN A 38 4.440 4.970 -16.450 1.00 0.00 N ATOM 315 CA GLN A 38 3.660 6.100 -15.880 1.00 0.00 C ATOM 316 C GLN A 38 2.720 5.640 -14.740 1.00 0.00 C ATOM 317 O GLN A 38 1.560 6.040 -14.700 1.00 0.00 O ATOM 318 CB GLN A 38 2.850 6.810 -16.980 1.00 0.00 C ATOM 319 CG GLN A 38 2.600 8.280 -16.610 1.00 0.00 C ATOM 320 CD GLN A 38 1.220 8.720 -16.140 1.00 0.00 C ATOM 321 OE1 GLN A 38 0.370 9.090 -16.930 1.00 0.00 O ATOM 322 NE2 GLN A 38 1.040 8.890 -14.840 1.00 0.00 N ATOM 0 H GLN A 38 4.118 4.674 -17.371 1.00 0.00 H new ATOM 0 HA GLN A 38 4.377 6.802 -15.455 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.387 6.755 -17.927 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.898 6.299 -17.124 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.309 8.542 -15.825 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.853 8.882 -17.483 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.754 8.579 -14.181 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.187 9.332 -14.497 1.00 0.00 H new ATOM 326 N ASN A 39 3.240 4.810 -13.830 1.00 0.00 N ATOM 327 CA ASN A 39 2.480 4.160 -12.740 1.00 0.00 C ATOM 328 C ASN A 39 0.960 4.090 -13.010 1.00 0.00 C ATOM 329 O ASN A 39 0.110 4.600 -12.290 1.00 0.00 O ATOM 330 CB ASN A 39 2.870 4.820 -11.410 1.00 0.00 C ATOM 331 CG ASN A 39 1.980 4.380 -10.240 1.00 0.00 C ATOM 332 OD1 ASN A 39 1.090 5.080 -9.800 1.00 0.00 O ATOM 333 ND2 ASN A 39 2.070 3.140 -9.800 1.00 0.00 N ATOM 0 H ASN A 39 4.229 4.560 -13.825 1.00 0.00 H new ATOM 0 HA ASN A 39 2.756 3.107 -12.682 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.908 4.578 -11.181 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.811 5.903 -11.517 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.403 2.794 -9.110 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.806 2.527 -10.150 1.00 0.00 H new ATOM 337 N ARG A 40 0.650 3.450 -14.130 1.00 0.00 N ATOM 338 CA ARG A 40 -0.750 3.350 -14.620 1.00 0.00 C ATOM 339 C ARG A 40 -1.550 2.270 -13.880 1.00 0.00 C ATOM 340 O ARG A 40 -2.690 1.950 -14.210 1.00 0.00 O ATOM 341 CB ARG A 40 -0.800 3.140 -16.140 1.00 0.00 C ATOM 342 CG ARG A 40 0.080 1.980 -16.590 1.00 0.00 C ATOM 343 CD ARG A 40 1.430 2.490 -17.090 1.00 0.00 C ATOM 344 NE ARG A 40 1.390 2.600 -18.550 1.00 0.00 N ATOM 345 CZ ARG A 40 1.350 1.580 -19.410 1.00 0.00 C ATOM 346 NH1 ARG A 40 1.350 0.300 -19.020 1.00 0.00 N ATOM 347 NH2 ARG A 40 1.280 1.820 -20.700 1.00 0.00 N ATOM 0 H ARG A 40 1.336 2.988 -14.727 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.228 4.304 -14.400 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.829 2.953 -16.446 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.480 4.053 -16.642 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.231 1.289 -15.761 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.420 1.423 -17.382 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.653 3.460 -16.646 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.225 1.809 -16.786 1.00 0.00 H new ATOM 0 HE ARG A 40 1.393 3.540 -18.945 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.382 0.069 -18.027 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.318 -0.445 -19.716 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.257 2.782 -21.039 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.249 1.045 -21.362 1.00 0.00 H new ATOM 354 N GLU A 41 -0.900 1.740 -12.860 1.00 0.00 N ATOM 355 CA GLU A 41 -1.460 0.740 -11.970 1.00 0.00 C ATOM 356 C GLU A 41 -1.710 1.250 -10.540 1.00 0.00 C ATOM 357 O GLU A 41 -2.420 0.590 -9.800 1.00 0.00 O ATOM 358 CB GLU A 41 -0.580 -0.500 -11.960 1.00 0.00 C ATOM 359 CG GLU A 41 -1.390 -1.570 -12.680 1.00 0.00 C ATOM 360 CD GLU A 41 -0.940 -2.990 -12.370 1.00 0.00 C ATOM 361 OE1 GLU A 41 -0.150 -3.170 -11.430 1.00 0.00 O ATOM 362 OE2 GLU A 41 -1.440 -3.870 -13.090 1.00 0.00 O ATOM 0 H GLU A 41 0.057 2.000 -12.622 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.444 0.488 -12.366 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.367 -0.315 -12.467 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.342 -0.805 -10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.440 -1.463 -12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.321 -1.403 -13.755 1.00 0.00 H new ATOM 364 N SER A 42 -1.090 2.380 -10.170 1.00 0.00 N ATOM 365 CA SER A 42 -1.200 2.960 -8.810 1.00 0.00 C ATOM 366 C SER A 42 -1.020 1.910 -7.690 1.00 0.00 C ATOM 367 O SER A 42 -1.730 1.840 -6.700 1.00 0.00 O ATOM 368 CB SER A 42 -2.540 3.700 -8.710 1.00 0.00 C ATOM 369 OG SER A 42 -2.650 4.400 -7.470 1.00 0.00 O ATOM 0 H SER A 42 -0.497 2.922 -10.799 1.00 0.00 H new ATOM 0 HA SER A 42 -0.382 3.664 -8.657 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.633 4.403 -9.538 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.360 2.988 -8.803 1.00 0.00 H new ATOM 0 HG SER A 42 -2.400 3.803 -6.734 1.00 0.00 H new ATOM 372 N VAL A 43 -0.070 1.010 -7.940 1.00 0.00 N ATOM 373 CA VAL A 43 0.250 -0.080 -6.980 1.00 0.00 C ATOM 374 C VAL A 43 1.650 0.140 -6.360 1.00 0.00 C ATOM 375 O VAL A 43 2.030 -0.440 -5.340 1.00 0.00 O ATOM 376 CB VAL A 43 0.100 -1.450 -7.670 1.00 0.00 C ATOM 377 CG1 VAL A 43 0.470 -2.610 -6.740 1.00 0.00 C ATOM 378 CG2 VAL A 43 -1.340 -1.720 -8.100 1.00 0.00 C ATOM 0 H VAL A 43 0.496 1.002 -8.789 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.459 -0.064 -6.152 1.00 0.00 H new ATOM 0 HB VAL A 43 0.771 -1.400 -8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.349 -3.554 -7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.507 -2.504 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.182 -2.598 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.399 -2.696 -8.582 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.990 -1.707 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.661 -0.950 -8.801 1.00 0.00 H new ATOM 380 N LEU A 44 2.410 1.010 -7.010 1.00 0.00 N ATOM 381 CA LEU A 44 3.820 1.260 -6.680 1.00 0.00 C ATOM 382 C LEU A 44 3.870 2.560 -5.840 1.00 0.00 C ATOM 383 O LEU A 44 2.850 3.260 -5.810 1.00 0.00 O ATOM 384 CB LEU A 44 4.610 1.360 -7.990 1.00 0.00 C ATOM 385 CG LEU A 44 4.390 0.280 -9.070 1.00 0.00 C ATOM 386 CD1 LEU A 44 5.730 -0.130 -9.650 1.00 0.00 C ATOM 387 CD2 LEU A 44 3.820 -1.040 -8.580 1.00 0.00 C ATOM 0 H LEU A 44 2.069 1.571 -7.790 1.00 0.00 H new ATOM 0 HA LEU A 44 4.270 0.458 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.385 2.328 -8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.670 1.364 -7.737 1.00 0.00 H new ATOM 0 HG LEU A 44 3.690 0.753 -9.759 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.578 -0.893 -10.413 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.214 0.738 -10.096 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.362 -0.531 -8.858 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.707 -1.723 -9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.496 -1.478 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.847 -0.868 -8.120 1.00 0.00 H new ATOM 389 N PRO A 45 4.950 2.860 -5.110 1.00 0.00 N ATOM 390 CA PRO A 45 5.060 4.110 -4.340 1.00 0.00 C ATOM 391 C PRO A 45 5.160 5.320 -5.290 1.00 0.00 C ATOM 392 O PRO A 45 4.720 5.230 -6.440 1.00 0.00 O ATOM 393 CB PRO A 45 6.310 3.910 -3.460 1.00 0.00 C ATOM 394 CG PRO A 45 7.190 2.990 -4.290 1.00 0.00 C ATOM 395 CD PRO A 45 6.180 2.060 -4.950 1.00 0.00 C ATOM 0 HA PRO A 45 4.188 4.321 -3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.807 4.857 -3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.056 3.462 -2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.772 3.544 -5.027 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.900 2.442 -3.670 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.545 1.705 -5.914 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.998 1.179 -4.334 1.00 0.00 H new ATOM 396 N THR A 46 5.660 6.430 -4.760 1.00 0.00 N ATOM 397 CA THR A 46 5.820 7.720 -5.470 1.00 0.00 C ATOM 398 C THR A 46 4.540 8.000 -6.290 1.00 0.00 C ATOM 399 O THR A 46 3.460 7.820 -5.740 1.00 0.00 O ATOM 400 CB THR A 46 7.160 7.690 -6.240 1.00 0.00 C ATOM 401 OG1 THR A 46 8.190 7.260 -5.350 1.00 0.00 O ATOM 402 CG2 THR A 46 7.570 9.070 -6.760 1.00 0.00 C ATOM 0 H THR A 46 5.980 6.472 -3.792 1.00 0.00 H new ATOM 0 HA THR A 46 5.904 8.579 -4.805 1.00 0.00 H new ATOM 0 HB THR A 46 7.027 7.018 -7.088 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.045 7.235 -5.827 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.518 8.991 -7.293 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.803 9.446 -7.437 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.682 9.757 -5.921 1.00 0.00 H new ATOM 405 N GLN A 47 4.690 8.290 -7.580 1.00 0.00 N ATOM 406 CA GLN A 47 3.610 8.610 -8.550 1.00 0.00 C ATOM 407 C GLN A 47 4.190 9.230 -9.830 1.00 0.00 C ATOM 408 O GLN A 47 3.710 8.970 -10.930 1.00 0.00 O ATOM 409 CB GLN A 47 2.540 9.540 -7.950 1.00 0.00 C ATOM 410 CG GLN A 47 1.530 10.070 -8.970 1.00 0.00 C ATOM 411 CD GLN A 47 0.120 10.240 -8.430 1.00 0.00 C ATOM 412 OE1 GLN A 47 -0.170 10.360 -7.250 1.00 0.00 O ATOM 413 NE2 GLN A 47 -0.800 10.250 -9.360 1.00 0.00 N ATOM 0 H GLN A 47 5.613 8.313 -8.014 1.00 0.00 H new ATOM 0 HA GLN A 47 3.123 7.667 -8.799 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.003 9.002 -7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.035 10.385 -7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.881 11.032 -9.344 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.500 9.389 -9.821 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.536 10.148 -10.340 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.782 10.360 -9.105 1.00 0.00 H new ATOM 417 N SER A 48 5.130 10.150 -9.610 1.00 0.00 N ATOM 418 CA SER A 48 5.810 10.910 -10.680 1.00 0.00 C ATOM 419 C SER A 48 6.140 10.060 -11.920 1.00 0.00 C ATOM 420 O SER A 48 6.470 8.880 -11.850 1.00 0.00 O ATOM 421 CB SER A 48 7.090 11.570 -10.160 1.00 0.00 C ATOM 422 OG SER A 48 7.910 10.600 -9.510 1.00 0.00 O ATOM 0 H SER A 48 5.451 10.398 -8.674 1.00 0.00 H new ATOM 0 HA SER A 48 5.099 11.675 -10.991 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.636 12.025 -10.987 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.839 12.371 -9.465 1.00 0.00 H new ATOM 0 HG SER A 48 8.727 11.030 -9.182 1.00 0.00 H new ATOM 425 N TYR A 49 5.960 10.720 -13.050 1.00 0.00 N ATOM 426 CA TYR A 49 6.170 10.110 -14.370 1.00 0.00 C ATOM 427 C TYR A 49 7.660 10.120 -14.740 1.00 0.00 C ATOM 428 O TYR A 49 8.370 11.090 -14.460 1.00 0.00 O ATOM 429 CB TYR A 49 5.350 10.870 -15.420 1.00 0.00 C ATOM 430 CG TYR A 49 5.570 10.380 -16.860 1.00 0.00 C ATOM 431 CD1 TYR A 49 5.710 9.000 -17.140 1.00 0.00 C ATOM 432 CD2 TYR A 49 5.540 11.330 -17.910 1.00 0.00 C ATOM 433 CE1 TYR A 49 5.760 8.550 -18.460 1.00 0.00 C ATOM 434 CE2 TYR A 49 5.620 10.880 -19.250 1.00 0.00 C ATOM 435 CZ TYR A 49 5.730 9.500 -19.500 1.00 0.00 C ATOM 436 OH TYR A 49 5.880 9.030 -20.760 1.00 0.00 O ATOM 0 H TYR A 49 5.664 11.695 -13.089 1.00 0.00 H new ATOM 0 HA TYR A 49 5.839 9.072 -14.339 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.292 10.780 -15.174 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.601 11.929 -15.365 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.779 8.291 -16.328 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.457 12.384 -17.691 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.820 7.494 -18.680 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.597 11.585 -20.068 1.00 0.00 H new ATOM 0 HH TYR A 49 5.841 9.776 -21.394 1.00 0.00 H new ATOM 439 N GLY A 50 8.110 8.990 -15.260 1.00 0.00 N ATOM 440 CA GLY A 50 9.500 8.830 -15.730 1.00 0.00 C ATOM 441 C GLY A 50 10.400 8.230 -14.650 1.00 0.00 C ATOM 442 O GLY A 50 11.320 7.470 -14.960 1.00 0.00 O ATOM 0 H GLY A 50 7.536 8.155 -15.373 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.514 8.189 -16.612 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.894 9.799 -16.034 1.00 0.00 H new ATOM 444 N TYR A 51 9.990 8.430 -13.400 1.00 0.00 N ATOM 445 CA TYR A 51 10.640 7.870 -12.200 1.00 0.00 C ATOM 446 C TYR A 51 10.630 6.340 -12.180 1.00 0.00 C ATOM 447 O TYR A 51 11.270 5.720 -11.340 1.00 0.00 O ATOM 448 CB TYR A 51 9.900 8.420 -10.980 1.00 0.00 C ATOM 449 CG TYR A 51 10.840 8.810 -9.830 1.00 0.00 C ATOM 450 CD1 TYR A 51 11.510 10.060 -9.910 1.00 0.00 C ATOM 451 CD2 TYR A 51 11.010 7.940 -8.740 1.00 0.00 C ATOM 452 CE1 TYR A 51 12.400 10.420 -8.880 1.00 0.00 C ATOM 453 CE2 TYR A 51 11.900 8.300 -7.710 1.00 0.00 C ATOM 454 CZ TYR A 51 12.600 9.520 -7.800 1.00 0.00 C ATOM 455 OH TYR A 51 13.550 9.810 -6.880 1.00 0.00 O ATOM 0 H TYR A 51 9.174 9.001 -13.179 1.00 0.00 H new ATOM 0 HA TYR A 51 11.690 8.164 -12.197 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.319 9.293 -11.278 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.192 7.672 -10.624 1.00 0.00 H new ATOM 0 HD1 TYR A 51 11.340 10.722 -10.746 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.466 7.008 -8.693 1.00 0.00 H new ATOM 0 HE1 TYR A 51 12.922 11.365 -8.911 1.00 0.00 H new ATOM 0 HE2 TYR A 51 12.045 7.649 -6.861 1.00 0.00 H new ATOM 0 HH TYR A 51 13.573 9.105 -6.200 1.00 0.00 H new ATOM 458 N TYR A 52 9.810 5.760 -13.050 1.00 0.00 N ATOM 459 CA TYR A 52 9.620 4.310 -13.180 1.00 0.00 C ATOM 460 C TYR A 52 9.960 3.870 -14.600 1.00 0.00 C ATOM 461 O TYR A 52 9.590 4.540 -15.570 1.00 0.00 O ATOM 462 CB TYR A 52 8.150 3.980 -12.930 1.00 0.00 C ATOM 463 CG TYR A 52 7.750 4.110 -11.470 1.00 0.00 C ATOM 464 CD1 TYR A 52 7.670 5.370 -10.840 1.00 0.00 C ATOM 465 CD2 TYR A 52 7.510 2.900 -10.790 1.00 0.00 C ATOM 466 CE1 TYR A 52 7.370 5.430 -9.470 1.00 0.00 C ATOM 467 CE2 TYR A 52 7.220 2.970 -9.420 1.00 0.00 C ATOM 468 CZ TYR A 52 7.150 4.210 -8.780 1.00 0.00 C ATOM 469 OH TYR A 52 6.890 4.200 -7.450 1.00 0.00 O ATOM 0 H TYR A 52 9.241 6.296 -13.705 1.00 0.00 H new ATOM 0 HA TYR A 52 10.264 3.800 -12.463 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.528 4.643 -13.531 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.950 2.963 -13.266 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.837 6.276 -11.404 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.548 1.952 -11.306 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.308 6.378 -8.956 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.050 2.063 -8.858 1.00 0.00 H new ATOM 0 HH TYR A 52 5.926 4.299 -7.304 1.00 0.00 H new ATOM 472 N HIS A 53 10.480 2.660 -14.670 1.00 0.00 N ATOM 473 CA HIS A 53 10.830 2.010 -15.940 1.00 0.00 C ATOM 474 C HIS A 53 10.510 0.520 -15.920 1.00 0.00 C ATOM 475 O HIS A 53 10.330 -0.090 -14.860 1.00 0.00 O ATOM 476 CB HIS A 53 12.310 2.230 -16.280 1.00 0.00 C ATOM 477 CG HIS A 53 12.700 3.670 -16.590 1.00 0.00 C ATOM 478 ND1 HIS A 53 13.210 4.540 -15.730 1.00 0.00 N ATOM 479 CD2 HIS A 53 12.610 4.250 -17.780 1.00 0.00 C ATOM 480 CE1 HIS A 53 13.440 5.670 -16.380 1.00 0.00 C ATOM 481 NE2 HIS A 53 13.060 5.500 -17.640 1.00 0.00 N ATOM 0 H HIS A 53 10.677 2.088 -13.849 1.00 0.00 H new ATOM 0 HA HIS A 53 10.220 2.473 -16.715 1.00 0.00 H new ATOM 0 HB2 HIS A 53 12.914 1.880 -15.443 1.00 0.00 H new ATOM 0 HB3 HIS A 53 12.565 1.609 -17.139 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.243 3.797 -18.689 1.00 0.00 H new ATOM 0 HE1 HIS A 53 13.862 6.571 -15.959 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.104 6.204 -18.377 1.00 0.00 H new ATOM 485 N GLU A 54 10.400 -0.050 -17.110 1.00 0.00 N ATOM 486 CA GLU A 54 10.070 -1.480 -17.290 1.00 0.00 C ATOM 487 C GLU A 54 11.250 -2.210 -17.930 1.00 0.00 C ATOM 488 O GLU A 54 11.900 -1.710 -18.860 1.00 0.00 O ATOM 489 CB GLU A 54 8.880 -1.670 -18.220 1.00 0.00 C ATOM 490 CG GLU A 54 7.620 -1.010 -17.670 1.00 0.00 C ATOM 491 CD GLU A 54 6.830 -0.280 -18.760 1.00 0.00 C ATOM 492 OE1 GLU A 54 6.950 -0.630 -19.960 1.00 0.00 O ATOM 493 OE2 GLU A 54 6.050 0.600 -18.380 1.00 0.00 O ATOM 0 H GLU A 54 10.534 0.454 -17.986 1.00 0.00 H new ATOM 0 HA GLU A 54 9.837 -1.877 -16.302 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.113 -1.250 -19.198 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.699 -2.735 -18.365 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.986 -1.767 -17.209 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.894 -0.304 -16.886 1.00 0.00 H new ATOM 495 N TYR A 55 11.470 -3.400 -17.390 1.00 0.00 N ATOM 496 CA TYR A 55 12.590 -4.270 -17.770 1.00 0.00 C ATOM 497 C TYR A 55 12.250 -5.730 -17.460 1.00 0.00 C ATOM 498 O TYR A 55 12.650 -6.290 -16.440 1.00 0.00 O ATOM 499 CB TYR A 55 13.850 -3.870 -16.980 1.00 0.00 C ATOM 500 CG TYR A 55 14.300 -2.430 -17.160 1.00 0.00 C ATOM 501 CD1 TYR A 55 15.090 -2.100 -18.270 1.00 0.00 C ATOM 502 CD2 TYR A 55 13.970 -1.480 -16.180 1.00 0.00 C ATOM 503 CE1 TYR A 55 15.550 -0.780 -18.440 1.00 0.00 C ATOM 504 CE2 TYR A 55 14.460 -0.170 -16.340 1.00 0.00 C ATOM 505 CZ TYR A 55 15.220 0.180 -17.470 1.00 0.00 C ATOM 506 OH TYR A 55 15.510 1.480 -17.690 1.00 0.00 O ATOM 0 H TYR A 55 10.872 -3.800 -16.666 1.00 0.00 H new ATOM 0 HA TYR A 55 12.773 -4.159 -18.839 1.00 0.00 H new ATOM 0 HB2 TYR A 55 13.665 -4.046 -15.920 1.00 0.00 H new ATOM 0 HB3 TYR A 55 14.667 -4.528 -17.274 1.00 0.00 H new ATOM 0 HD1 TYR A 55 15.346 -2.858 -18.995 1.00 0.00 H new ATOM 0 HD2 TYR A 55 13.359 -1.746 -15.330 1.00 0.00 H new ATOM 0 HE1 TYR A 55 16.145 -0.511 -19.300 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.250 0.574 -15.586 1.00 0.00 H new ATOM 0 HH TYR A 55 15.216 2.015 -16.923 1.00 0.00 H new ATOM 509 N THR A 56 11.370 -6.300 -18.280 1.00 0.00 N ATOM 510 CA THR A 56 10.960 -7.710 -18.090 1.00 0.00 C ATOM 511 C THR A 56 12.160 -8.610 -17.820 1.00 0.00 C ATOM 512 O THR A 56 13.220 -8.490 -18.430 1.00 0.00 O ATOM 513 CB THR A 56 10.190 -8.210 -19.310 1.00 0.00 C ATOM 514 OG1 THR A 56 8.970 -7.500 -19.300 1.00 0.00 O ATOM 515 CG2 THR A 56 9.950 -9.730 -19.440 1.00 0.00 C ATOM 0 H THR A 56 10.929 -5.828 -19.070 1.00 0.00 H new ATOM 0 HA THR A 56 10.308 -7.750 -17.217 1.00 0.00 H new ATOM 0 HB THR A 56 10.814 -8.024 -20.184 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.224 -8.132 -19.238 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.392 -9.933 -20.354 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.908 -10.248 -19.478 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.380 -10.083 -18.581 1.00 0.00 H new ATOM 518 N VAL A 57 11.960 -9.380 -16.770 1.00 0.00 N ATOM 519 CA VAL A 57 12.990 -10.330 -16.350 1.00 0.00 C ATOM 520 C VAL A 57 12.830 -11.650 -17.110 1.00 0.00 C ATOM 521 O VAL A 57 11.720 -12.180 -17.160 1.00 0.00 O ATOM 522 CB VAL A 57 12.990 -10.420 -14.830 1.00 0.00 C ATOM 523 CG1 VAL A 57 12.030 -11.440 -14.230 1.00 0.00 C ATOM 524 CG2 VAL A 57 14.410 -10.760 -14.420 1.00 0.00 C ATOM 0 H VAL A 57 11.116 -9.375 -16.197 1.00 0.00 H new ATOM 0 HA VAL A 57 13.992 -9.994 -16.616 1.00 0.00 H new ATOM 0 HB VAL A 57 12.638 -9.462 -14.446 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.111 -11.421 -13.143 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.009 -11.194 -14.522 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.282 -12.436 -14.595 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.467 -10.837 -13.334 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.700 -11.711 -14.867 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.085 -9.977 -14.764 1.00 0.00 H new ATOM 526 N ILE A 58 13.910 -12.060 -17.750 1.00 0.00 N ATOM 527 CA ILE A 58 13.950 -13.380 -18.420 1.00 0.00 C ATOM 528 C ILE A 58 13.420 -14.450 -17.450 1.00 0.00 C ATOM 529 O ILE A 58 13.590 -14.310 -16.240 1.00 0.00 O ATOM 530 CB ILE A 58 15.330 -13.690 -19.040 1.00 0.00 C ATOM 531 CG1 ILE A 58 15.220 -13.240 -20.510 1.00 0.00 C ATOM 532 CG2 ILE A 58 15.870 -15.120 -18.840 1.00 0.00 C ATOM 533 CD1 ILE A 58 16.170 -13.850 -21.550 1.00 0.00 C ATOM 0 H ILE A 58 14.770 -11.517 -17.829 1.00 0.00 H new ATOM 0 HA ILE A 58 13.287 -13.374 -19.285 1.00 0.00 H new ATOM 0 HB ILE A 58 16.106 -13.141 -18.507 1.00 0.00 H new ATOM 0 HG12 ILE A 58 14.200 -13.440 -20.839 1.00 0.00 H new ATOM 0 HG13 ILE A 58 15.357 -12.159 -20.534 1.00 0.00 H new ATOM 0 HG21 ILE A 58 16.844 -15.212 -19.321 1.00 0.00 H new ATOM 0 HG22 ILE A 58 15.971 -15.325 -17.774 1.00 0.00 H new ATOM 0 HG23 ILE A 58 15.178 -15.836 -19.284 1.00 0.00 H new ATOM 0 HD11 ILE A 58 15.958 -13.424 -22.531 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.201 -13.630 -21.274 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.027 -14.930 -21.585 1.00 0.00 H new ATOM 535 N THR A 59 12.800 -15.470 -18.040 1.00 0.00 N ATOM 536 CA THR A 59 12.250 -16.610 -17.290 1.00 0.00 C ATOM 537 C THR A 59 12.320 -17.900 -18.120 1.00 0.00 C ATOM 538 O THR A 59 12.210 -17.840 -19.350 1.00 0.00 O ATOM 539 CB THR A 59 10.850 -16.240 -16.750 1.00 0.00 C ATOM 540 OG1 THR A 59 11.060 -15.430 -15.600 1.00 0.00 O ATOM 541 CG2 THR A 59 9.970 -17.420 -16.330 1.00 0.00 C ATOM 0 H THR A 59 12.662 -15.535 -19.049 1.00 0.00 H new ATOM 0 HA THR A 59 12.859 -16.828 -16.413 1.00 0.00 H new ATOM 0 HB THR A 59 10.318 -15.750 -17.565 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.971 -15.069 -15.616 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.012 -17.048 -15.967 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.805 -18.074 -17.186 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.466 -17.980 -15.537 1.00 0.00 H new ATOM 544 N PRO A 60 12.650 -19.040 -17.480 1.00 0.00 N ATOM 545 CA PRO A 60 12.680 -20.350 -18.150 1.00 0.00 C ATOM 546 C PRO A 60 11.250 -20.830 -18.430 1.00 0.00 C ATOM 547 O PRO A 60 10.300 -20.450 -17.750 1.00 0.00 O ATOM 548 CB PRO A 60 13.420 -21.270 -17.170 1.00 0.00 C ATOM 549 CG PRO A 60 13.110 -20.670 -15.800 1.00 0.00 C ATOM 550 CD PRO A 60 13.040 -19.170 -16.060 1.00 0.00 C ATOM 0 HA PRO A 60 13.180 -20.326 -19.118 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.068 -22.299 -17.245 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.492 -21.284 -17.367 1.00 0.00 H new ATOM 0 HG2 PRO A 60 12.169 -21.050 -15.402 1.00 0.00 H new ATOM 0 HG3 PRO A 60 13.885 -20.913 -15.073 1.00 0.00 H new ATOM 0 HD2 PRO A 60 12.311 -18.691 -15.406 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.001 -18.692 -15.870 1.00 0.00 H new ATOM 551 N GLY A 61 11.130 -21.520 -19.560 1.00 0.00 N ATOM 552 CA GLY A 61 9.840 -21.980 -20.100 1.00 0.00 C ATOM 553 C GLY A 61 8.850 -20.830 -20.380 1.00 0.00 C ATOM 554 O GLY A 61 7.650 -21.050 -20.520 1.00 0.00 O ATOM 0 H GLY A 61 11.929 -21.782 -20.138 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.017 -22.531 -21.024 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.387 -22.677 -19.395 1.00 0.00 H new ATOM 556 N ALA A 62 9.400 -19.630 -20.560 1.00 0.00 N ATOM 557 CA ALA A 62 8.620 -18.440 -20.910 1.00 0.00 C ATOM 558 C ALA A 62 8.560 -18.410 -22.440 1.00 0.00 C ATOM 559 O ALA A 62 9.530 -18.060 -23.110 1.00 0.00 O ATOM 560 CB ALA A 62 9.280 -17.170 -20.350 1.00 0.00 C ATOM 0 H ALA A 62 10.400 -19.453 -20.468 1.00 0.00 H new ATOM 0 HA ALA A 62 7.619 -18.477 -20.480 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.683 -16.299 -20.622 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.343 -17.241 -19.264 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.282 -17.067 -20.766 1.00 0.00 H new ATOM 562 N ARG A 63 7.500 -19.050 -22.950 1.00 0.00 N ATOM 563 CA ARG A 63 7.210 -19.090 -24.400 1.00 0.00 C ATOM 564 C ARG A 63 7.440 -17.750 -25.110 1.00 0.00 C ATOM 565 O ARG A 63 7.750 -17.700 -26.300 1.00 0.00 O ATOM 566 CB ARG A 63 5.760 -19.480 -24.690 1.00 0.00 C ATOM 567 CG ARG A 63 5.660 -20.900 -25.230 1.00 0.00 C ATOM 568 CD ARG A 63 4.740 -20.910 -26.460 1.00 0.00 C ATOM 569 NE ARG A 63 4.330 -22.290 -26.800 1.00 0.00 N ATOM 570 CZ ARG A 63 3.420 -23.020 -26.140 1.00 0.00 C ATOM 571 NH1 ARG A 63 2.760 -22.540 -25.090 1.00 0.00 N ATOM 572 NH2 ARG A 63 3.140 -24.250 -26.550 1.00 0.00 N ATOM 0 H ARG A 63 6.820 -19.553 -22.379 1.00 0.00 H new ATOM 0 HA ARG A 63 7.907 -19.837 -24.779 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.170 -19.395 -23.778 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.333 -18.784 -25.412 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.649 -21.270 -25.498 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.268 -21.567 -24.462 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.857 -20.302 -26.264 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.255 -20.460 -27.308 1.00 0.00 H new ATOM 0 HE ARG A 63 4.779 -22.724 -27.607 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.940 -21.590 -24.765 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.073 -23.122 -24.610 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.617 -24.637 -27.365 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.448 -24.809 -26.051 1.00 0.00 H new ATOM 579 N THR A 64 7.170 -16.690 -24.350 1.00 0.00 N ATOM 580 CA THR A 64 7.310 -15.300 -24.810 1.00 0.00 C ATOM 581 C THR A 64 8.050 -14.510 -23.710 1.00 0.00 C ATOM 582 O THR A 64 8.720 -15.090 -22.860 1.00 0.00 O ATOM 583 CB THR A 64 5.910 -14.720 -25.120 1.00 0.00 C ATOM 584 OG1 THR A 64 5.170 -14.520 -23.900 1.00 0.00 O ATOM 585 CG2 THR A 64 5.090 -15.590 -26.090 1.00 0.00 C ATOM 0 H THR A 64 6.844 -16.768 -23.387 1.00 0.00 H new ATOM 0 HA THR A 64 7.891 -15.235 -25.730 1.00 0.00 H new ATOM 0 HB THR A 64 6.078 -13.765 -25.617 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.287 -14.151 -24.110 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.120 -15.125 -26.264 1.00 0.00 H new ATOM 0 HG22 THR A 64 5.623 -15.682 -27.036 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.946 -16.580 -25.658 1.00 0.00 H new ATOM 588 N ARG A 65 7.730 -13.230 -23.620 1.00 0.00 N ATOM 589 CA ARG A 65 8.200 -12.300 -22.560 1.00 0.00 C ATOM 590 C ARG A 65 7.760 -12.760 -21.160 1.00 0.00 C ATOM 591 O ARG A 65 8.300 -12.310 -20.150 1.00 0.00 O ATOM 592 CB ARG A 65 7.610 -10.920 -22.860 1.00 0.00 C ATOM 593 CG ARG A 65 8.100 -10.430 -24.230 1.00 0.00 C ATOM 594 CD ARG A 65 7.490 -9.080 -24.570 1.00 0.00 C ATOM 595 NE ARG A 65 6.560 -9.180 -25.700 1.00 0.00 N ATOM 596 CZ ARG A 65 6.190 -8.160 -26.470 1.00 0.00 C ATOM 597 NH1 ARG A 65 6.630 -6.920 -26.270 1.00 0.00 N ATOM 598 NH2 ARG A 65 5.360 -8.380 -27.480 1.00 0.00 N ATOM 0 H ARG A 65 7.116 -12.777 -24.297 1.00 0.00 H new ATOM 0 HA ARG A 65 9.290 -12.274 -22.561 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.521 -10.970 -22.850 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.904 -10.213 -22.084 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.187 -10.352 -24.226 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.835 -11.157 -24.997 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.965 -8.687 -23.699 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.283 -8.372 -24.811 1.00 0.00 H new ATOM 0 HE ARG A 65 6.169 -10.098 -25.911 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.275 -6.725 -25.504 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.323 -6.165 -26.883 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.013 -9.322 -27.659 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.068 -7.607 -28.078 1.00 0.00 H new ATOM 605 N GLY A 66 6.750 -13.630 -21.130 1.00 0.00 N ATOM 606 CA GLY A 66 6.140 -14.160 -19.910 1.00 0.00 C ATOM 607 C GLY A 66 5.460 -13.030 -19.130 1.00 0.00 C ATOM 608 O GLY A 66 5.620 -11.830 -19.380 1.00 0.00 O ATOM 0 H GLY A 66 6.321 -13.996 -21.980 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.410 -14.929 -20.163 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.901 -14.634 -19.290 1.00 0.00 H new ATOM 610 N THR A 67 4.670 -13.470 -18.170 1.00 0.00 N ATOM 611 CA THR A 67 4.020 -12.570 -17.200 1.00 0.00 C ATOM 612 C THR A 67 5.040 -11.850 -16.290 1.00 0.00 C ATOM 613 O THR A 67 4.780 -10.820 -15.670 1.00 0.00 O ATOM 614 CB THR A 67 2.990 -13.400 -16.420 1.00 0.00 C ATOM 615 OG1 THR A 67 3.640 -14.520 -15.840 1.00 0.00 O ATOM 616 CG2 THR A 67 1.800 -13.820 -17.290 1.00 0.00 C ATOM 0 H THR A 67 4.452 -14.457 -18.029 1.00 0.00 H new ATOM 0 HA THR A 67 3.510 -11.759 -17.720 1.00 0.00 H new ATOM 0 HB THR A 67 2.571 -12.779 -15.628 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.988 -15.053 -15.339 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.101 -14.404 -16.692 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.297 -12.932 -17.672 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.155 -14.423 -18.126 1.00 0.00 H new ATOM 619 N ARG A 68 6.250 -12.380 -16.250 1.00 0.00 N ATOM 620 CA ARG A 68 7.380 -11.810 -15.500 1.00 0.00 C ATOM 621 C ARG A 68 7.750 -10.430 -16.060 1.00 0.00 C ATOM 622 O ARG A 68 7.870 -10.230 -17.260 1.00 0.00 O ATOM 623 CB ARG A 68 8.590 -12.740 -15.600 1.00 0.00 C ATOM 624 CG ARG A 68 8.260 -14.190 -15.220 1.00 0.00 C ATOM 625 CD ARG A 68 8.020 -14.410 -13.730 1.00 0.00 C ATOM 626 NE ARG A 68 8.960 -15.400 -13.180 1.00 0.00 N ATOM 627 CZ ARG A 68 8.870 -15.980 -11.980 1.00 0.00 C ATOM 628 NH1 ARG A 68 7.920 -15.670 -11.100 1.00 0.00 N ATOM 629 NH2 ARG A 68 9.800 -16.850 -11.620 1.00 0.00 N ATOM 0 H ARG A 68 6.490 -13.238 -16.746 1.00 0.00 H new ATOM 0 HA ARG A 68 7.087 -11.703 -14.456 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.978 -12.716 -16.618 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.382 -12.370 -14.949 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.372 -14.504 -15.769 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.079 -14.833 -15.543 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.130 -13.465 -13.198 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.996 -14.748 -13.570 1.00 0.00 H new ATOM 0 HE ARG A 68 9.750 -15.667 -13.767 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.222 -14.963 -11.331 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.890 -16.139 -10.195 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.568 -17.067 -12.255 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.749 -17.303 -10.708 1.00 0.00 H new ATOM 636 N ARG A 69 7.790 -9.460 -15.150 1.00 0.00 N ATOM 637 CA ARG A 69 8.110 -8.060 -15.460 1.00 0.00 C ATOM 638 C ARG A 69 8.750 -7.400 -14.230 1.00 0.00 C ATOM 639 O ARG A 69 8.320 -7.650 -13.100 1.00 0.00 O ATOM 640 CB ARG A 69 6.800 -7.370 -15.880 1.00 0.00 C ATOM 641 CG ARG A 69 6.850 -5.860 -16.140 1.00 0.00 C ATOM 642 CD ARG A 69 7.350 -5.490 -17.530 1.00 0.00 C ATOM 643 NE ARG A 69 6.460 -4.430 -18.040 1.00 0.00 N ATOM 644 CZ ARG A 69 6.330 -4.070 -19.320 1.00 0.00 C ATOM 645 NH1 ARG A 69 7.080 -4.560 -20.290 1.00 0.00 N ATOM 646 NH2 ARG A 69 5.450 -3.130 -19.630 1.00 0.00 N ATOM 0 H ARG A 69 7.599 -9.622 -14.161 1.00 0.00 H new ATOM 0 HA ARG A 69 8.829 -7.978 -16.275 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.439 -7.856 -16.786 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.058 -7.554 -15.103 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.852 -5.444 -16.001 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.496 -5.394 -15.396 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.382 -5.141 -17.488 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.334 -6.358 -18.189 1.00 0.00 H new ATOM 0 HE ARG A 69 5.894 -3.928 -17.356 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.802 -5.249 -20.078 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.938 -4.250 -21.251 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.888 -2.696 -18.898 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.334 -2.840 -20.601 1.00 0.00 H new ATOM 653 N ILE A 70 9.850 -6.700 -14.480 1.00 0.00 N ATOM 654 CA ILE A 70 10.520 -5.890 -13.450 1.00 0.00 C ATOM 655 C ILE A 70 10.220 -4.420 -13.750 1.00 0.00 C ATOM 656 O ILE A 70 10.250 -3.970 -14.900 1.00 0.00 O ATOM 657 CB ILE A 70 12.020 -6.230 -13.350 1.00 0.00 C ATOM 658 CG1 ILE A 70 12.170 -7.400 -12.360 1.00 0.00 C ATOM 659 CG2 ILE A 70 12.940 -5.040 -12.990 1.00 0.00 C ATOM 660 CD1 ILE A 70 13.590 -7.930 -12.120 1.00 0.00 C ATOM 0 H ILE A 70 10.306 -6.672 -15.392 1.00 0.00 H new ATOM 0 HA ILE A 70 10.135 -6.117 -12.456 1.00 0.00 H new ATOM 0 HB ILE A 70 12.365 -6.512 -14.345 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.758 -7.087 -11.400 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.555 -8.227 -12.716 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.974 -5.381 -12.944 1.00 0.00 H new ATOM 0 HG22 ILE A 70 12.847 -4.265 -13.751 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.648 -4.634 -12.021 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.556 -8.751 -11.404 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.009 -8.287 -13.061 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.215 -7.129 -11.725 1.00 0.00 H new ATOM 662 N ILE A 71 9.960 -3.720 -12.660 1.00 0.00 N ATOM 663 CA ILE A 71 9.670 -2.280 -12.690 1.00 0.00 C ATOM 664 C ILE A 71 10.680 -1.590 -11.770 1.00 0.00 C ATOM 665 O ILE A 71 10.680 -1.820 -10.570 1.00 0.00 O ATOM 666 CB ILE A 71 8.240 -1.970 -12.220 1.00 0.00 C ATOM 667 CG1 ILE A 71 7.180 -2.920 -12.810 1.00 0.00 C ATOM 668 CG2 ILE A 71 7.900 -0.500 -12.510 1.00 0.00 C ATOM 669 CD1 ILE A 71 7.120 -2.910 -14.340 1.00 0.00 C ATOM 0 H ILE A 71 9.942 -4.125 -11.724 1.00 0.00 H new ATOM 0 HA ILE A 71 9.751 -1.918 -13.715 1.00 0.00 H new ATOM 0 HB ILE A 71 8.214 -2.140 -11.144 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.387 -3.935 -12.471 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.201 -2.646 -12.416 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.885 -0.288 -12.174 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.600 0.147 -11.981 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.974 -0.314 -13.581 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.350 -3.604 -14.678 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.881 -1.905 -14.688 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.086 -3.214 -14.744 1.00 0.00 H new ATOM 671 N THR A 72 11.640 -0.910 -12.360 1.00 0.00 N ATOM 672 CA THR A 72 12.640 -0.160 -11.580 1.00 0.00 C ATOM 673 C THR A 72 12.210 1.290 -11.360 1.00 0.00 C ATOM 674 O THR A 72 11.300 1.790 -12.020 1.00 0.00 O ATOM 675 CB THR A 72 13.990 -0.200 -12.270 1.00 0.00 C ATOM 676 OG1 THR A 72 13.720 0.080 -13.640 1.00 0.00 O ATOM 677 CG2 THR A 72 14.690 -1.540 -12.050 1.00 0.00 C ATOM 0 H THR A 72 11.761 -0.852 -13.371 1.00 0.00 H new ATOM 0 HA THR A 72 12.721 -0.640 -10.605 1.00 0.00 H new ATOM 0 HB THR A 72 14.687 0.533 -11.863 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.232 -0.534 -14.206 1.00 0.00 H new ATOM 0 HG21 THR A 72 15.654 -1.534 -12.558 1.00 0.00 H new ATOM 0 HG22 THR A 72 14.843 -1.700 -10.983 1.00 0.00 H new ATOM 0 HG23 THR A 72 14.073 -2.343 -12.452 1.00 0.00 H new ATOM 680 N GLY A 73 12.890 1.910 -10.410 1.00 0.00 N ATOM 681 CA GLY A 73 12.690 3.320 -10.040 1.00 0.00 C ATOM 682 C GLY A 73 13.830 4.180 -10.590 1.00 0.00 C ATOM 683 O GLY A 73 14.780 3.690 -11.210 1.00 0.00 O ATOM 0 H GLY A 73 13.612 1.447 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.737 3.674 -10.432 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.644 3.415 -8.955 1.00 0.00 H new ATOM 685 N GLU A 74 13.780 5.460 -10.230 1.00 0.00 N ATOM 686 CA GLU A 74 14.810 6.440 -10.620 1.00 0.00 C ATOM 687 C GLU A 74 16.060 6.360 -9.720 1.00 0.00 C ATOM 688 O GLU A 74 17.080 7.000 -9.970 1.00 0.00 O ATOM 689 CB GLU A 74 14.220 7.840 -10.530 1.00 0.00 C ATOM 690 CG GLU A 74 14.940 8.890 -11.380 1.00 0.00 C ATOM 691 CD GLU A 74 14.210 9.100 -12.710 1.00 0.00 C ATOM 692 OE1 GLU A 74 13.260 9.920 -12.710 1.00 0.00 O ATOM 693 OE2 GLU A 74 14.630 8.460 -13.700 1.00 0.00 O ATOM 0 H GLU A 74 13.030 5.854 -9.662 1.00 0.00 H new ATOM 0 HA GLU A 74 15.120 6.212 -11.640 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.174 7.800 -10.835 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.237 8.161 -9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.993 9.833 -10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.966 8.572 -11.568 1.00 0.00 H new ATOM 695 N ALA A 75 15.890 5.680 -8.600 1.00 0.00 N ATOM 696 CA ALA A 75 16.960 5.400 -7.640 1.00 0.00 C ATOM 697 C ALA A 75 17.090 3.880 -7.550 1.00 0.00 C ATOM 698 O ALA A 75 16.100 3.150 -7.510 1.00 0.00 O ATOM 699 CB ALA A 75 16.590 6.000 -6.290 1.00 0.00 C ATOM 0 H ALA A 75 14.987 5.296 -8.320 1.00 0.00 H new ATOM 0 HA ALA A 75 17.909 5.837 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.383 5.795 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 75 16.464 7.078 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.658 5.558 -5.938 1.00 0.00 H new ATOM 701 N THR A 76 18.340 3.430 -7.670 1.00 0.00 N ATOM 702 CA THR A 76 18.700 2.020 -7.480 1.00 0.00 C ATOM 703 C THR A 76 18.090 1.530 -6.150 1.00 0.00 C ATOM 704 O THR A 76 17.900 2.310 -5.230 1.00 0.00 O ATOM 705 CB THR A 76 20.240 1.880 -7.510 1.00 0.00 C ATOM 706 OG1 THR A 76 20.670 2.250 -8.820 1.00 0.00 O ATOM 707 CG2 THR A 76 20.780 0.480 -7.190 1.00 0.00 C ATOM 0 H THR A 76 19.132 4.030 -7.901 1.00 0.00 H new ATOM 0 HA THR A 76 18.301 1.399 -8.282 1.00 0.00 H new ATOM 0 HB THR A 76 20.631 2.523 -6.722 1.00 0.00 H new ATOM 0 HG1 THR A 76 21.645 2.175 -8.877 1.00 0.00 H new ATOM 0 HG21 THR A 76 21.869 0.490 -7.238 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.464 0.188 -6.189 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.392 -0.234 -7.916 1.00 0.00 H new ATOM 710 N GLN A 77 17.770 0.240 -6.150 1.00 0.00 N ATOM 711 CA GLN A 77 17.140 -0.520 -5.030 1.00 0.00 C ATOM 712 C GLN A 77 15.620 -0.300 -5.000 1.00 0.00 C ATOM 713 O GLN A 77 14.960 -0.330 -3.960 1.00 0.00 O ATOM 714 CB GLN A 77 17.780 -0.250 -3.650 1.00 0.00 C ATOM 715 CG GLN A 77 19.310 -0.110 -3.750 1.00 0.00 C ATOM 716 CD GLN A 77 20.120 -0.670 -2.590 1.00 0.00 C ATOM 717 OE1 GLN A 77 19.750 -1.600 -1.900 1.00 0.00 O ATOM 718 NE2 GLN A 77 21.350 -0.190 -2.500 1.00 0.00 N ATOM 0 H GLN A 77 17.944 -0.351 -6.963 1.00 0.00 H new ATOM 0 HA GLN A 77 17.335 -1.572 -5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.358 0.661 -3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 77 17.533 -1.064 -2.969 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.639 -0.603 -4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 77 19.550 0.948 -3.854 1.00 0.00 H new ATOM 0 HE21 GLN A 77 21.637 0.591 -3.090 1.00 0.00 H new ATOM 0 HE22 GLN A 77 22.011 -0.601 -1.841 1.00 0.00 H new ATOM 722 N GLU A 78 15.080 -0.160 -6.210 1.00 0.00 N ATOM 723 CA GLU A 78 13.650 0.100 -6.460 1.00 0.00 C ATOM 724 C GLU A 78 13.080 -0.690 -7.650 1.00 0.00 C ATOM 725 O GLU A 78 12.350 -0.190 -8.490 1.00 0.00 O ATOM 726 CB GLU A 78 13.350 1.600 -6.550 1.00 0.00 C ATOM 727 CG GLU A 78 13.320 2.240 -5.160 1.00 0.00 C ATOM 728 CD GLU A 78 12.960 3.720 -5.220 1.00 0.00 C ATOM 729 OE1 GLU A 78 11.950 4.050 -5.880 1.00 0.00 O ATOM 730 OE2 GLU A 78 13.660 4.500 -4.550 1.00 0.00 O ATOM 0 H GLU A 78 15.630 -0.224 -7.066 1.00 0.00 H new ATOM 0 HA GLU A 78 13.119 -0.280 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.107 2.089 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.391 1.753 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.597 1.716 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.295 2.123 -4.686 1.00 0.00 H new ATOM 732 N ASP A 79 13.340 -1.990 -7.620 1.00 0.00 N ATOM 733 CA ASP A 79 12.970 -2.960 -8.670 1.00 0.00 C ATOM 734 C ASP A 79 11.840 -3.870 -8.190 1.00 0.00 C ATOM 735 O ASP A 79 12.060 -4.750 -7.380 1.00 0.00 O ATOM 736 CB ASP A 79 14.190 -3.790 -9.120 1.00 0.00 C ATOM 737 CG ASP A 79 15.300 -4.030 -8.080 1.00 0.00 C ATOM 738 OD1 ASP A 79 15.010 -3.980 -6.860 1.00 0.00 O ATOM 739 OD2 ASP A 79 16.470 -4.090 -8.500 1.00 0.00 O ATOM 0 H ASP A 79 13.832 -2.425 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 79 12.614 -2.399 -9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.831 -4.761 -9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.636 -3.295 -9.982 1.00 0.00 H new ATOM 741 N TYR A 80 10.630 -3.480 -8.550 1.00 0.00 N ATOM 742 CA TYR A 80 9.370 -4.150 -8.210 1.00 0.00 C ATOM 743 C TYR A 80 9.120 -5.320 -9.160 1.00 0.00 C ATOM 744 O TYR A 80 9.120 -5.160 -10.390 1.00 0.00 O ATOM 745 CB TYR A 80 8.190 -3.180 -8.370 1.00 0.00 C ATOM 746 CG TYR A 80 8.430 -1.780 -7.800 1.00 0.00 C ATOM 747 CD1 TYR A 80 8.230 -1.550 -6.430 1.00 0.00 C ATOM 748 CD2 TYR A 80 8.920 -0.760 -8.640 1.00 0.00 C ATOM 749 CE1 TYR A 80 8.540 -0.290 -5.890 1.00 0.00 C ATOM 750 CE2 TYR A 80 9.240 0.500 -8.110 1.00 0.00 C ATOM 751 CZ TYR A 80 9.050 0.720 -6.730 1.00 0.00 C ATOM 752 OH TYR A 80 9.440 1.900 -6.190 1.00 0.00 O ATOM 0 H TYR A 80 10.483 -2.645 -9.117 1.00 0.00 H new ATOM 0 HA TYR A 80 9.449 -4.497 -7.180 1.00 0.00 H new ATOM 0 HB2 TYR A 80 7.953 -3.090 -9.430 1.00 0.00 H new ATOM 0 HB3 TYR A 80 7.315 -3.611 -7.883 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.842 -2.334 -5.797 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.050 -0.948 -9.695 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.388 -0.097 -4.838 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.624 1.284 -8.746 1.00 0.00 H new ATOM 0 HH TYR A 80 9.769 2.491 -6.899 1.00 0.00 H new ATOM 755 N TYR A 81 8.960 -6.500 -8.570 1.00 0.00 N ATOM 756 CA TYR A 81 8.740 -7.730 -9.340 1.00 0.00 C ATOM 757 C TYR A 81 7.270 -8.150 -9.250 1.00 0.00 C ATOM 758 O TYR A 81 6.740 -8.330 -8.160 1.00 0.00 O ATOM 759 CB TYR A 81 9.600 -8.860 -8.760 1.00 0.00 C ATOM 760 CG TYR A 81 9.840 -10.020 -9.720 1.00 0.00 C ATOM 761 CD1 TYR A 81 8.790 -10.900 -10.060 1.00 0.00 C ATOM 762 CD2 TYR A 81 11.160 -10.240 -10.160 1.00 0.00 C ATOM 763 CE1 TYR A 81 9.060 -12.030 -10.850 1.00 0.00 C ATOM 764 CE2 TYR A 81 11.440 -11.380 -10.930 1.00 0.00 C ATOM 765 CZ TYR A 81 10.390 -12.260 -11.280 1.00 0.00 C ATOM 766 OH TYR A 81 10.640 -13.270 -12.140 1.00 0.00 O ATOM 0 H TYR A 81 8.978 -6.636 -7.559 1.00 0.00 H new ATOM 0 HA TYR A 81 9.010 -7.543 -10.379 1.00 0.00 H new ATOM 0 HB2 TYR A 81 10.563 -8.449 -8.457 1.00 0.00 H new ATOM 0 HB3 TYR A 81 9.119 -9.242 -7.860 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.785 -10.706 -9.715 1.00 0.00 H new ATOM 0 HD2 TYR A 81 11.945 -9.542 -9.909 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.268 -12.711 -11.124 1.00 0.00 H new ATOM 0 HE2 TYR A 81 12.450 -11.583 -11.253 1.00 0.00 H new ATOM 0 HH TYR A 81 10.987 -14.042 -11.646 1.00 0.00 H new ATOM 769 N THR A 82 6.710 -8.360 -10.430 1.00 0.00 N ATOM 770 CA THR A 82 5.360 -8.920 -10.590 1.00 0.00 C ATOM 771 C THR A 82 5.330 -10.450 -10.640 1.00 0.00 C ATOM 772 O THR A 82 4.980 -11.140 -9.690 1.00 0.00 O ATOM 773 CB THR A 82 4.490 -8.240 -11.690 1.00 0.00 C ATOM 774 OG1 THR A 82 3.510 -9.120 -12.240 1.00 0.00 O ATOM 775 CG2 THR A 82 5.260 -7.500 -12.770 1.00 0.00 C ATOM 0 H THR A 82 7.174 -8.149 -11.314 1.00 0.00 H new ATOM 0 HA THR A 82 4.858 -8.651 -9.661 1.00 0.00 H new ATOM 0 HB THR A 82 3.964 -7.454 -11.147 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.981 -9.514 -11.515 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.560 -7.065 -13.483 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.854 -6.707 -12.315 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.920 -8.196 -13.288 1.00 0.00 H new ATOM 778 N GLY A 83 5.820 -10.960 -11.760 1.00 0.00 N ATOM 779 CA GLY A 83 5.770 -12.400 -12.080 1.00 0.00 C ATOM 780 C GLY A 83 4.360 -12.930 -12.340 1.00 0.00 C ATOM 781 O GLY A 83 4.120 -14.130 -12.300 1.00 0.00 O ATOM 0 H GLY A 83 6.267 -10.395 -12.482 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.386 -12.588 -12.960 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.212 -12.960 -11.256 1.00 0.00 H new ATOM 783 N ASP A 84 3.440 -11.990 -12.580 1.00 0.00 N ATOM 784 CA ASP A 84 2.030 -12.260 -12.930 1.00 0.00 C ATOM 785 C ASP A 84 1.440 -11.220 -13.910 1.00 0.00 C ATOM 786 O ASP A 84 0.220 -11.100 -14.030 1.00 0.00 O ATOM 787 CB ASP A 84 1.180 -12.310 -11.660 1.00 0.00 C ATOM 788 CG ASP A 84 1.340 -13.530 -10.760 1.00 0.00 C ATOM 789 OD1 ASP A 84 1.600 -14.630 -11.300 1.00 0.00 O ATOM 790 OD2 ASP A 84 1.070 -13.350 -9.550 1.00 0.00 O ATOM 0 H ASP A 84 3.654 -10.994 -12.537 1.00 0.00 H new ATOM 0 HA ASP A 84 2.010 -13.224 -13.438 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.405 -11.422 -11.068 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.132 -12.241 -11.952 1.00 0.00 H new ATOM 792 N HIS A 85 2.310 -10.540 -14.660 1.00 0.00 N ATOM 793 CA HIS A 85 2.000 -9.510 -15.680 1.00 0.00 C ATOM 794 C HIS A 85 1.210 -8.360 -15.080 1.00 0.00 C ATOM 795 O HIS A 85 -0.010 -8.360 -15.080 1.00 0.00 O ATOM 796 CB HIS A 85 1.280 -10.140 -16.880 1.00 0.00 C ATOM 797 CG HIS A 85 1.310 -9.250 -18.110 1.00 0.00 C ATOM 798 ND1 HIS A 85 0.310 -8.480 -18.510 1.00 0.00 N ATOM 799 CD2 HIS A 85 2.290 -9.170 -19.010 1.00 0.00 C ATOM 800 CE1 HIS A 85 0.660 -7.910 -19.660 1.00 0.00 C ATOM 801 NE2 HIS A 85 1.880 -8.340 -19.960 1.00 0.00 N ATOM 0 H HIS A 85 3.314 -10.696 -14.574 1.00 0.00 H new ATOM 0 HA HIS A 85 2.939 -9.091 -16.042 1.00 0.00 H new ATOM 0 HB2 HIS A 85 1.745 -11.097 -17.117 1.00 0.00 H new ATOM 0 HB3 HIS A 85 0.244 -10.347 -16.610 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.239 -9.684 -18.973 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.062 -7.224 -20.242 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.415 -8.075 -20.787 1.00 0.00 H new ATOM 805 N TYR A 86 1.970 -7.460 -14.460 1.00 0.00 N ATOM 806 CA TYR A 86 1.390 -6.330 -13.720 1.00 0.00 C ATOM 807 C TYR A 86 0.280 -6.750 -12.730 1.00 0.00 C ATOM 808 O TYR A 86 -0.890 -6.380 -12.870 1.00 0.00 O ATOM 809 CB TYR A 86 0.850 -5.290 -14.720 1.00 0.00 C ATOM 810 CG TYR A 86 1.960 -4.530 -15.440 1.00 0.00 C ATOM 811 CD1 TYR A 86 2.970 -3.940 -14.670 1.00 0.00 C ATOM 812 CD2 TYR A 86 1.860 -4.330 -16.840 1.00 0.00 C ATOM 813 CE1 TYR A 86 3.910 -3.110 -15.300 1.00 0.00 C ATOM 814 CE2 TYR A 86 2.790 -3.490 -17.470 1.00 0.00 C ATOM 815 CZ TYR A 86 3.790 -2.880 -16.680 1.00 0.00 C ATOM 816 OH TYR A 86 4.610 -1.950 -17.240 1.00 0.00 O ATOM 0 H TYR A 86 2.990 -7.487 -14.452 1.00 0.00 H new ATOM 0 HA TYR A 86 2.187 -5.898 -13.115 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.223 -5.792 -15.457 1.00 0.00 H new ATOM 0 HB3 TYR A 86 0.214 -4.580 -14.191 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.025 -4.121 -13.607 1.00 0.00 H new ATOM 0 HD2 TYR A 86 1.082 -4.815 -17.411 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.711 -2.657 -14.734 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.743 -3.314 -18.534 1.00 0.00 H new ATOM 0 HH TYR A 86 4.373 -1.060 -16.904 1.00 0.00 H new ATOM 819 N ALA A 87 0.610 -7.680 -11.860 1.00 0.00 N ATOM 820 CA ALA A 87 -0.370 -8.130 -10.860 1.00 0.00 C ATOM 821 C ALA A 87 0.070 -7.920 -9.410 1.00 0.00 C ATOM 822 O ALA A 87 -0.710 -7.500 -8.570 1.00 0.00 O ATOM 823 CB ALA A 87 -0.790 -9.580 -11.110 1.00 0.00 C ATOM 0 H ALA A 87 1.521 -8.137 -11.813 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.239 -7.485 -10.994 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.515 -9.884 -10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.240 -9.663 -12.099 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.085 -10.227 -11.054 1.00 0.00 H new ATOM 825 N THR A 88 1.350 -8.200 -9.160 1.00 0.00 N ATOM 826 CA THR A 88 1.980 -8.060 -7.840 1.00 0.00 C ATOM 827 C THR A 88 3.290 -7.280 -8.000 1.00 0.00 C ATOM 828 O THR A 88 3.670 -6.950 -9.120 1.00 0.00 O ATOM 829 CB THR A 88 2.270 -9.450 -7.270 1.00 0.00 C ATOM 830 OG1 THR A 88 2.870 -10.200 -8.320 1.00 0.00 O ATOM 831 CG2 THR A 88 0.990 -10.130 -6.770 1.00 0.00 C ATOM 0 H THR A 88 1.991 -8.536 -9.879 1.00 0.00 H new ATOM 0 HA THR A 88 1.316 -7.526 -7.160 1.00 0.00 H new ATOM 0 HB THR A 88 2.933 -9.382 -6.407 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.846 -10.151 -8.241 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.233 -11.115 -6.372 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.538 -9.523 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.288 -10.236 -7.597 1.00 0.00 H new ATOM 834 N PHE A 89 3.820 -6.770 -6.900 1.00 0.00 N ATOM 835 CA PHE A 89 5.020 -5.910 -6.920 1.00 0.00 C ATOM 836 C PHE A 89 5.710 -6.010 -5.570 1.00 0.00 C ATOM 837 O PHE A 89 5.100 -5.800 -4.520 1.00 0.00 O ATOM 838 CB PHE A 89 4.690 -4.430 -7.170 1.00 0.00 C ATOM 839 CG PHE A 89 4.030 -4.220 -8.530 1.00 0.00 C ATOM 840 CD1 PHE A 89 4.820 -4.040 -9.700 1.00 0.00 C ATOM 841 CD2 PHE A 89 2.620 -4.300 -8.610 1.00 0.00 C ATOM 842 CE1 PHE A 89 4.180 -3.940 -10.950 1.00 0.00 C ATOM 843 CE2 PHE A 89 1.990 -4.240 -9.870 1.00 0.00 C ATOM 844 CZ PHE A 89 2.780 -4.040 -11.020 1.00 0.00 C ATOM 0 H PHE A 89 3.442 -6.932 -5.967 1.00 0.00 H new ATOM 0 HA PHE A 89 5.653 -6.258 -7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.027 -4.067 -6.384 1.00 0.00 H new ATOM 0 HB3 PHE A 89 5.604 -3.839 -7.114 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.896 -3.981 -9.630 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.030 -4.406 -7.712 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.760 -3.788 -11.848 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.918 -4.346 -9.953 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.296 -3.961 -11.982 1.00 0.00 H new ATOM 846 N SER A 90 6.940 -6.470 -5.670 1.00 0.00 N ATOM 847 CA SER A 90 7.790 -6.650 -4.490 1.00 0.00 C ATOM 848 C SER A 90 9.220 -6.230 -4.840 1.00 0.00 C ATOM 849 O SER A 90 9.780 -6.760 -5.800 1.00 0.00 O ATOM 850 CB SER A 90 7.810 -8.090 -3.980 1.00 0.00 C ATOM 851 OG SER A 90 6.500 -8.670 -4.090 1.00 0.00 O ATOM 0 H SER A 90 7.382 -6.729 -6.552 1.00 0.00 H new ATOM 0 HA SER A 90 7.373 -6.031 -3.695 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.526 -8.678 -4.554 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.140 -8.112 -2.941 1.00 0.00 H new ATOM 0 HG SER A 90 6.522 -9.593 -3.762 1.00 0.00 H new ATOM 854 N LEU A 91 9.680 -5.160 -4.210 1.00 0.00 N ATOM 855 CA LEU A 91 11.070 -4.670 -4.350 1.00 0.00 C ATOM 856 C LEU A 91 12.100 -5.810 -4.300 1.00 0.00 C ATOM 857 O LEU A 91 11.830 -6.860 -3.730 1.00 0.00 O ATOM 858 CB LEU A 91 11.440 -3.640 -3.270 1.00 0.00 C ATOM 859 CG LEU A 91 10.900 -2.240 -3.530 1.00 0.00 C ATOM 860 CD1 LEU A 91 11.510 -1.240 -2.550 1.00 0.00 C ATOM 861 CD2 LEU A 91 11.320 -1.800 -4.930 1.00 0.00 C ATOM 0 H LEU A 91 9.109 -4.595 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 91 11.103 -4.194 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.065 -3.989 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.526 -3.589 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 91 9.816 -2.265 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 91 11.113 -0.245 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.260 -1.532 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.593 -1.229 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.938 -0.798 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.408 -1.794 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 91 10.914 -2.494 -5.666 1.00 0.00 H new ATOM 863 N ILE A 92 13.280 -5.620 -4.860 1.00 0.00 N ATOM 864 CA ILE A 92 14.300 -6.680 -4.850 1.00 0.00 C ATOM 865 C ILE A 92 15.450 -6.240 -3.930 1.00 0.00 C ATOM 866 O ILE A 92 15.940 -5.120 -3.990 1.00 0.00 O ATOM 867 CB ILE A 92 14.710 -7.020 -6.300 1.00 0.00 C ATOM 868 CG1 ILE A 92 13.820 -8.050 -6.980 1.00 0.00 C ATOM 869 CG2 ILE A 92 16.140 -7.550 -6.420 1.00 0.00 C ATOM 870 CD1 ILE A 92 12.390 -7.630 -7.260 1.00 0.00 C ATOM 0 H ILE A 92 13.564 -4.758 -5.325 1.00 0.00 H new ATOM 0 HA ILE A 92 13.920 -7.615 -4.438 1.00 0.00 H new ATOM 0 HB ILE A 92 14.609 -6.055 -6.797 1.00 0.00 H new ATOM 0 HG12 ILE A 92 14.284 -8.331 -7.925 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.797 -8.945 -6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 92 16.361 -7.768 -7.465 1.00 0.00 H new ATOM 0 HG22 ILE A 92 16.839 -6.799 -6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 92 16.241 -8.461 -5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 92 11.859 -8.449 -7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 92 11.894 -7.381 -6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.388 -6.758 -7.914 1.00 0.00 H new ATOM 872 N ASP A 93 15.900 -7.220 -3.150 1.00 0.00 N ATOM 873 CA ASP A 93 17.030 -7.000 -2.250 1.00 0.00 C ATOM 874 C ASP A 93 18.210 -7.840 -2.730 1.00 0.00 C ATOM 875 O ASP A 93 18.260 -9.030 -2.440 1.00 0.00 O ATOM 876 CB ASP A 93 16.620 -7.370 -0.820 1.00 0.00 C ATOM 877 CG ASP A 93 17.130 -6.350 0.200 1.00 0.00 C ATOM 878 OD1 ASP A 93 17.950 -5.500 -0.180 1.00 0.00 O ATOM 879 OD2 ASP A 93 16.710 -6.500 1.370 1.00 0.00 O ATOM 0 H ASP A 93 15.507 -8.161 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 93 17.328 -5.951 -2.253 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.534 -7.433 -0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 93 17.011 -8.357 -0.574 1.00 0.00 H new ATOM 881 N GLN A 94 19.140 -7.210 -3.450 1.00 0.00 N ATOM 882 CA GLN A 94 20.330 -7.910 -3.980 1.00 0.00 C ATOM 883 C GLN A 94 21.170 -8.550 -2.860 1.00 0.00 C ATOM 884 O GLN A 94 21.490 -9.730 -2.930 1.00 0.00 O ATOM 885 CB GLN A 94 21.250 -7.010 -4.820 1.00 0.00 C ATOM 886 CG GLN A 94 20.530 -6.170 -5.870 1.00 0.00 C ATOM 887 CD GLN A 94 20.510 -4.690 -5.460 1.00 0.00 C ATOM 888 OE1 GLN A 94 21.340 -4.180 -4.720 1.00 0.00 O ATOM 889 NE2 GLN A 94 19.520 -3.960 -5.910 1.00 0.00 N ATOM 0 H GLN A 94 19.100 -6.218 -3.684 1.00 0.00 H new ATOM 0 HA GLN A 94 19.921 -8.684 -4.629 1.00 0.00 H new ATOM 0 HB2 GLN A 94 21.794 -6.343 -4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 94 21.991 -7.635 -5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 94 21.027 -6.279 -6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 94 19.509 -6.532 -5.995 1.00 0.00 H new ATOM 0 HE21 GLN A 94 18.821 -4.373 -6.528 1.00 0.00 H new ATOM 0 HE22 GLN A 94 19.448 -2.978 -5.643 1.00 0.00 H new ATOM 893 N THR A 95 21.310 -7.790 -1.770 1.00 0.00 N ATOM 894 CA THR A 95 21.990 -8.220 -0.520 1.00 0.00 C ATOM 895 C THR A 95 21.420 -9.520 0.070 1.00 0.00 C ATOM 896 O THR A 95 22.150 -10.460 0.360 1.00 0.00 O ATOM 897 CB THR A 95 22.010 -7.100 0.550 1.00 0.00 C ATOM 898 OG1 THR A 95 22.390 -7.640 1.820 1.00 0.00 O ATOM 899 CG2 THR A 95 20.700 -6.330 0.710 1.00 0.00 C ATOM 0 H THR A 95 20.950 -6.837 -1.719 1.00 0.00 H new ATOM 0 HA THR A 95 23.018 -8.430 -0.815 1.00 0.00 H new ATOM 0 HB THR A 95 22.742 -6.379 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.401 -6.924 2.490 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.817 -5.569 1.482 1.00 0.00 H new ATOM 0 HG22 THR A 95 20.441 -5.852 -0.235 1.00 0.00 H new ATOM 0 HG23 THR A 95 19.906 -7.019 0.997 1.00 0.00 H new ATOM 902 N CYS A 96 20.090 -9.600 0.100 1.00 0.00 N ATOM 903 CA CYS A 96 19.410 -10.800 0.610 1.00 0.00 C ATOM 904 C CYS A 96 19.230 -11.830 -0.520 1.00 0.00 C ATOM 905 O CYS A 96 19.290 -13.040 -0.250 1.00 0.00 O ATOM 906 CB CYS A 96 18.090 -10.390 1.260 1.00 0.00 C ATOM 907 SG CYS A 96 17.300 -11.790 2.150 1.00 0.00 S ATOM 908 OXT CYS A 96 18.940 -11.390 -1.650 1.00 0.00 O ATOM 0 H CYS A 96 19.464 -8.860 -0.218 1.00 0.00 H new ATOM 0 HA CYS A 96 20.016 -11.285 1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.268 -9.571 1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 96 17.410 -10.016 0.495 1.00 0.00 H new TER 910 CYS A 96