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 77 GLN : amide:sc= -0.0723 X(o=-1.2,f=-1.4) USER MOD Set 1.2: A 94 GLN : amide:sc= -1.1! C(o=-1.2!,f=-4.7!) USER MOD Set 2.1: A 53 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-2.9) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 46 THR OG1 : rot 113:sc= 0.963 USER MOD Set 3.2: A 52 TYR OH : rot -114:sc= -0.0776 USER MOD Set 3.3: A 80 TYR OH : rot 68:sc= 0.784 USER MOD Set 4.1: A 32 GLN : amide:sc= -2.91 K(o=-4.5,f=-8.7!) USER MOD Set 4.2: A 56 THR OG1 : rot -160:sc= -1.58 USER MOD Single : A 1 ASP N :NH3+ 165:sc= 0.107 (180deg=0.0569) 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= -0.257 USER MOD Single : A 18 THR OG1 : rot -139:sc= -2.29! USER MOD Single : A 20 ASN : amide:sc=-0.00464 X(o=-0.0046,f=-0.18) 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 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.399 K(o=-0.4,f=0.7) USER MOD Single : A 39 ASN : amide:sc= -3.84! C(o=-3.8!,f=-10!) USER MOD Single : A 42 SER OG : rot -53:sc= 0.265 USER MOD Single : A 47 GLN : amide:sc=-0.00213 X(o=-0.0021,f=0) USER MOD Single : A 48 SER OG : rot -179:sc= -0.0912 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -110:sc= -0.0586 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 67 THR OG1 : rot 109:sc= 0.48 USER MOD Single : A 72 THR OG1 : rot -130:sc= 0.801 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 120:sc= -0.164 USER MOD Single : A 82 THR OG1 : rot -70:sc= -0.0699 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= 1.93 USER MOD Single : A 88 THR OG1 : rot 114:sc= 1.18 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.200 0.020 -0.010 1.00 0.00 N ATOM 2 CA ASP A 1 1.990 0.110 -1.250 1.00 0.00 C ATOM 3 C ASP A 1 3.400 0.650 -0.970 1.00 0.00 C ATOM 4 O ASP A 1 3.700 1.150 0.110 1.00 0.00 O ATOM 5 CB ASP A 1 1.270 0.910 -2.340 1.00 0.00 C ATOM 6 CG ASP A 1 0.740 2.250 -1.840 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.580 3.090 -1.460 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.500 2.380 -1.840 1.00 0.00 O ATOM 0 H1 ASP A 1 0.194 -0.099 -0.247 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.523 -0.795 0.549 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.324 0.891 0.545 1.00 0.00 H new ATOM 0 HA ASP A 1 2.100 -0.902 -1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.956 1.083 -3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.441 0.319 -2.729 1.00 0.00 H new ATOM 12 N VAL A 2 4.260 0.510 -1.970 1.00 0.00 N ATOM 13 CA VAL A 2 5.640 1.040 -1.940 1.00 0.00 C ATOM 14 C VAL A 2 5.580 2.520 -1.550 1.00 0.00 C ATOM 15 O VAL A 2 4.880 3.300 -2.190 1.00 0.00 O ATOM 16 CB VAL A 2 6.290 0.910 -3.330 1.00 0.00 C ATOM 17 CG1 VAL A 2 7.790 1.130 -3.280 1.00 0.00 C ATOM 18 CG2 VAL A 2 6.150 -0.500 -3.860 1.00 0.00 C ATOM 0 H VAL A 2 4.030 0.024 -2.837 1.00 0.00 H new ATOM 0 HA VAL A 2 6.233 0.476 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 2 5.788 1.653 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.206 1.029 -4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.999 2.130 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.245 0.389 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.617 -0.567 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.639 -1.195 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.093 -0.755 -3.942 1.00 0.00 H new ATOM 20 N SER A 3 6.380 2.880 -0.550 1.00 0.00 N ATOM 21 CA SER A 3 6.480 4.290 -0.090 1.00 0.00 C ATOM 22 C SER A 3 7.290 5.190 -1.030 1.00 0.00 C ATOM 23 O SER A 3 7.530 6.370 -0.750 1.00 0.00 O ATOM 24 CB SER A 3 7.070 4.390 1.320 1.00 0.00 C ATOM 25 OG SER A 3 6.040 4.140 2.290 1.00 0.00 O ATOM 0 H SER A 3 6.972 2.228 -0.035 1.00 0.00 H new ATOM 0 HA SER A 3 5.451 4.650 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.879 3.669 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.499 5.380 1.477 1.00 0.00 H new ATOM 0 HG SER A 3 6.418 4.202 3.192 1.00 0.00 H new ATOM 28 N GLY A 4 7.690 4.620 -2.160 1.00 0.00 N ATOM 29 CA GLY A 4 8.480 5.290 -3.200 1.00 0.00 C ATOM 30 C GLY A 4 9.680 4.410 -3.580 1.00 0.00 C ATOM 31 O GLY A 4 9.860 3.310 -3.070 1.00 0.00 O ATOM 0 H GLY A 4 7.470 3.651 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.861 5.477 -4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.826 6.259 -2.841 1.00 0.00 H new ATOM 33 N THR A 5 10.340 4.830 -4.640 1.00 0.00 N ATOM 34 CA THR A 5 11.500 4.110 -5.190 1.00 0.00 C ATOM 35 C THR A 5 12.770 4.580 -4.470 1.00 0.00 C ATOM 36 O THR A 5 12.750 5.460 -3.610 1.00 0.00 O ATOM 37 CB THR A 5 11.550 4.380 -6.700 1.00 0.00 C ATOM 38 OG1 THR A 5 10.210 4.390 -7.220 1.00 0.00 O ATOM 39 CG2 THR A 5 12.320 3.320 -7.480 1.00 0.00 C ATOM 0 H THR A 5 10.098 5.678 -5.153 1.00 0.00 H new ATOM 0 HA THR A 5 11.420 3.034 -5.034 1.00 0.00 H new ATOM 0 HB THR A 5 12.059 5.336 -6.822 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.235 4.564 -8.184 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.315 3.573 -8.540 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.348 3.279 -7.121 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.847 2.348 -7.337 1.00 0.00 H new ATOM 42 N VAL A 6 13.860 3.900 -4.770 1.00 0.00 N ATOM 43 CA VAL A 6 15.160 4.120 -4.130 1.00 0.00 C ATOM 44 C VAL A 6 16.230 4.050 -5.210 1.00 0.00 C ATOM 45 O VAL A 6 16.440 3.040 -5.880 1.00 0.00 O ATOM 46 CB VAL A 6 15.250 3.100 -2.970 1.00 0.00 C ATOM 47 CG1 VAL A 6 16.460 2.200 -2.950 1.00 0.00 C ATOM 48 CG2 VAL A 6 15.190 3.810 -1.620 1.00 0.00 C ATOM 0 H VAL A 6 13.876 3.165 -5.477 1.00 0.00 H new ATOM 0 HA VAL A 6 15.304 5.100 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 6 14.389 2.456 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.403 1.533 -2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 6 16.489 1.609 -3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 6 17.363 2.806 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.255 3.074 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.023 4.509 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.250 4.355 -1.537 1.00 0.00 H new ATOM 50 N CYS A 7 16.730 5.240 -5.510 1.00 0.00 N ATOM 51 CA CYS A 7 17.830 5.420 -6.470 1.00 0.00 C ATOM 52 C CYS A 7 18.970 4.460 -6.140 1.00 0.00 C ATOM 53 O CYS A 7 19.350 4.330 -4.980 1.00 0.00 O ATOM 54 CB CYS A 7 18.320 6.860 -6.400 1.00 0.00 C ATOM 55 SG CYS A 7 16.990 8.070 -6.730 1.00 0.00 S ATOM 0 H CYS A 7 16.392 6.111 -5.101 1.00 0.00 H new ATOM 0 HA CYS A 7 17.476 5.206 -7.478 1.00 0.00 H new ATOM 0 HB2 CYS A 7 18.742 7.049 -5.413 1.00 0.00 H new ATOM 0 HB3 CYS A 7 19.124 7.002 -7.123 1.00 0.00 H new ATOM 57 N LEU A 8 19.380 3.680 -7.130 1.00 0.00 N ATOM 58 CA LEU A 8 20.460 2.690 -6.950 1.00 0.00 C ATOM 59 C LEU A 8 21.760 3.360 -6.450 1.00 0.00 C ATOM 60 O LEU A 8 22.340 2.880 -5.490 1.00 0.00 O ATOM 61 CB LEU A 8 20.700 1.940 -8.260 1.00 0.00 C ATOM 62 CG LEU A 8 21.430 0.620 -8.040 1.00 0.00 C ATOM 63 CD1 LEU A 8 20.710 -0.310 -7.070 1.00 0.00 C ATOM 64 CD2 LEU A 8 21.590 -0.080 -9.390 1.00 0.00 C ATOM 0 H LEU A 8 18.988 3.705 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 8 20.150 1.976 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.744 1.748 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.282 2.567 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 8 22.397 0.851 -7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 8 21.281 -1.231 -6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 8 20.615 0.179 -6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 8 19.718 -0.543 -7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 8 22.111 -1.027 -9.249 1.00 0.00 H new ATOM 0 HD22 LEU A 8 20.607 -0.267 -9.821 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.166 0.555 -10.063 1.00 0.00 H new ATOM 66 N SER A 9 21.980 4.590 -6.910 1.00 0.00 N ATOM 67 CA SER A 9 23.070 5.460 -6.420 1.00 0.00 C ATOM 68 C SER A 9 22.930 5.800 -4.920 1.00 0.00 C ATOM 69 O SER A 9 23.920 5.930 -4.200 1.00 0.00 O ATOM 70 CB SER A 9 23.120 6.760 -7.230 1.00 0.00 C ATOM 71 OG SER A 9 24.110 7.640 -6.690 1.00 0.00 O ATOM 0 H SER A 9 21.409 5.022 -7.637 1.00 0.00 H new ATOM 0 HA SER A 9 23.997 4.901 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 9 23.349 6.539 -8.273 1.00 0.00 H new ATOM 0 HB3 SER A 9 22.144 7.245 -7.214 1.00 0.00 H new ATOM 0 HG SER A 9 24.135 8.467 -7.216 1.00 0.00 H new ATOM 74 N ALA A 10 21.680 5.850 -4.450 1.00 0.00 N ATOM 75 CA ALA A 10 21.350 6.060 -3.030 1.00 0.00 C ATOM 76 C ALA A 10 21.550 4.790 -2.190 1.00 0.00 C ATOM 77 O ALA A 10 21.810 4.850 -0.990 1.00 0.00 O ATOM 78 CB ALA A 10 19.890 6.540 -2.920 1.00 0.00 C ATOM 0 H ALA A 10 20.859 5.745 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 10 22.030 6.814 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 10 19.637 6.698 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 10 19.772 7.476 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.226 5.786 -3.344 1.00 0.00 H new ATOM 80 N LEU A 11 21.410 3.630 -2.840 1.00 0.00 N ATOM 81 CA LEU A 11 21.680 2.320 -2.230 1.00 0.00 C ATOM 82 C LEU A 11 23.180 2.000 -2.080 1.00 0.00 C ATOM 83 O LEU A 11 24.000 2.620 -2.770 1.00 0.00 O ATOM 84 CB LEU A 11 21.020 1.220 -3.070 1.00 0.00 C ATOM 85 CG LEU A 11 19.570 1.000 -2.650 1.00 0.00 C ATOM 86 CD1 LEU A 11 18.960 -0.070 -3.540 1.00 0.00 C ATOM 87 CD2 LEU A 11 19.390 0.610 -1.180 1.00 0.00 C ATOM 0 H LEU A 11 21.104 3.571 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 11 21.262 2.359 -1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.059 1.492 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 11 21.578 0.290 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 11 19.063 1.958 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.923 -0.237 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.998 0.256 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 11 19.521 -0.998 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.330 0.473 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.923 -0.320 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.789 1.399 -0.543 1.00 0.00 H new ATOM 89 N PRO A 12 23.540 1.050 -1.210 1.00 0.00 N ATOM 90 CA PRO A 12 24.950 0.650 -1.000 1.00 0.00 C ATOM 91 C PRO A 12 25.540 -0.080 -2.230 1.00 0.00 C ATOM 92 O PRO A 12 24.790 -0.540 -3.090 1.00 0.00 O ATOM 93 CB PRO A 12 24.900 -0.200 0.280 1.00 0.00 C ATOM 94 CG PRO A 12 23.510 -0.810 0.310 1.00 0.00 C ATOM 95 CD PRO A 12 22.660 0.320 -0.270 1.00 0.00 C ATOM 0 HA PRO A 12 25.627 1.496 -0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 12 25.668 -0.974 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.079 0.412 1.164 1.00 0.00 H new ATOM 0 HG2 PRO A 12 23.449 -1.717 -0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.202 -1.076 1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.783 -0.075 -0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.298 0.980 0.518 1.00 0.00 H new ATOM 96 N PRO A 13 26.870 -0.290 -2.280 1.00 0.00 N ATOM 97 CA PRO A 13 27.510 -1.050 -3.370 1.00 0.00 C ATOM 98 C PRO A 13 27.170 -2.550 -3.340 1.00 0.00 C ATOM 99 O PRO A 13 27.230 -3.240 -4.360 1.00 0.00 O ATOM 100 CB PRO A 13 29.010 -0.790 -3.200 1.00 0.00 C ATOM 101 CG PRO A 13 29.180 -0.540 -1.700 1.00 0.00 C ATOM 102 CD PRO A 13 27.880 0.140 -1.280 1.00 0.00 C ATOM 0 HA PRO A 13 27.146 -0.725 -4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 13 29.602 -1.643 -3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 13 29.334 0.070 -3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 13 29.335 -1.472 -1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 13 30.043 0.094 -1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 13 27.588 -0.158 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 13 27.988 1.225 -1.272 1.00 0.00 H new ATOM 103 N GLU A 14 26.640 -3.000 -2.210 1.00 0.00 N ATOM 104 CA GLU A 14 26.210 -4.400 -1.990 1.00 0.00 C ATOM 105 C GLU A 14 24.720 -4.600 -2.320 1.00 0.00 C ATOM 106 O GLU A 14 24.230 -5.720 -2.310 1.00 0.00 O ATOM 107 CB GLU A 14 26.480 -4.840 -0.540 1.00 0.00 C ATOM 108 CG GLU A 14 27.730 -4.190 0.060 1.00 0.00 C ATOM 109 CD GLU A 14 28.600 -5.090 0.920 1.00 0.00 C ATOM 110 OE1 GLU A 14 28.560 -6.320 0.740 1.00 0.00 O ATOM 111 OE2 GLU A 14 29.400 -4.510 1.690 1.00 0.00 O ATOM 0 H GLU A 14 26.489 -2.402 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 14 26.798 -5.019 -2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 14 25.616 -4.591 0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.591 -5.924 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 14 28.339 -3.800 -0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 14 27.418 -3.336 0.662 1.00 0.00 H new ATOM 113 N ALA A 15 24.090 -3.520 -2.780 1.00 0.00 N ATOM 114 CA ALA A 15 22.670 -3.500 -3.200 1.00 0.00 C ATOM 115 C ALA A 15 22.470 -4.110 -4.590 1.00 0.00 C ATOM 116 O ALA A 15 21.760 -5.100 -4.760 1.00 0.00 O ATOM 117 CB ALA A 15 22.090 -2.100 -3.160 1.00 0.00 C ATOM 0 H ALA A 15 24.550 -2.615 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 15 22.133 -4.117 -2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 15 21.047 -2.129 -3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 15 22.151 -1.710 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 15 22.654 -1.453 -3.832 1.00 0.00 H new ATOM 119 N THR A 16 23.300 -3.620 -5.520 1.00 0.00 N ATOM 120 CA THR A 16 23.360 -4.160 -6.890 1.00 0.00 C ATOM 121 C THR A 16 23.710 -5.650 -6.910 1.00 0.00 C ATOM 122 O THR A 16 23.410 -6.330 -7.880 1.00 0.00 O ATOM 123 CB THR A 16 24.280 -3.300 -7.790 1.00 0.00 C ATOM 124 OG1 THR A 16 23.500 -2.960 -8.940 1.00 0.00 O ATOM 125 CG2 THR A 16 25.620 -3.920 -8.230 1.00 0.00 C ATOM 0 H THR A 16 23.943 -2.847 -5.350 1.00 0.00 H new ATOM 0 HA THR A 16 22.360 -4.094 -7.318 1.00 0.00 H new ATOM 0 HB THR A 16 24.599 -2.448 -7.189 1.00 0.00 H new ATOM 0 HG1 THR A 16 24.037 -2.410 -9.548 1.00 0.00 H new ATOM 0 HG21 THR A 16 26.162 -3.210 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 16 26.217 -4.158 -7.350 1.00 0.00 H new ATOM 0 HG23 THR A 16 25.430 -4.831 -8.797 1.00 0.00 H new ATOM 128 N ASP A 17 24.340 -6.140 -5.840 1.00 0.00 N ATOM 129 CA ASP A 17 24.740 -7.550 -5.690 1.00 0.00 C ATOM 130 C ASP A 17 23.540 -8.480 -5.970 1.00 0.00 C ATOM 131 O ASP A 17 23.520 -9.150 -6.990 1.00 0.00 O ATOM 132 CB ASP A 17 25.260 -7.790 -4.270 1.00 0.00 C ATOM 133 CG ASP A 17 26.000 -9.120 -4.070 1.00 0.00 C ATOM 134 OD1 ASP A 17 25.810 -10.040 -4.890 1.00 0.00 O ATOM 135 OD2 ASP A 17 26.750 -9.170 -3.080 1.00 0.00 O ATOM 0 H ASP A 17 24.593 -5.563 -5.038 1.00 0.00 H new ATOM 0 HA ASP A 17 25.530 -7.770 -6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 17 25.930 -6.974 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 17 24.418 -7.752 -3.579 1.00 0.00 H new ATOM 137 N THR A 18 22.490 -8.310 -5.180 1.00 0.00 N ATOM 138 CA THR A 18 21.260 -9.100 -5.350 1.00 0.00 C ATOM 139 C THR A 18 20.570 -8.830 -6.690 1.00 0.00 C ATOM 140 O THR A 18 20.200 -9.770 -7.370 1.00 0.00 O ATOM 141 CB THR A 18 20.330 -8.830 -4.190 1.00 0.00 C ATOM 142 OG1 THR A 18 21.040 -9.080 -2.980 1.00 0.00 O ATOM 143 CG2 THR A 18 19.150 -9.780 -4.240 1.00 0.00 C ATOM 0 H THR A 18 22.456 -7.637 -4.415 1.00 0.00 H new ATOM 0 HA THR A 18 21.533 -10.155 -5.360 1.00 0.00 H new ATOM 0 HB THR A 18 19.978 -7.800 -4.241 1.00 0.00 H new ATOM 0 HG1 THR A 18 20.454 -9.546 -2.347 1.00 0.00 H new ATOM 0 HG21 THR A 18 18.485 -9.578 -3.400 1.00 0.00 H new ATOM 0 HG22 THR A 18 18.608 -9.638 -5.175 1.00 0.00 H new ATOM 0 HG23 THR A 18 19.508 -10.808 -4.181 1.00 0.00 H new ATOM 146 N LEU A 19 20.460 -7.560 -7.070 1.00 0.00 N ATOM 147 CA LEU A 19 19.910 -7.160 -8.380 1.00 0.00 C ATOM 148 C LEU A 19 20.640 -7.830 -9.560 1.00 0.00 C ATOM 149 O LEU A 19 20.000 -8.360 -10.460 1.00 0.00 O ATOM 150 CB LEU A 19 20.010 -5.630 -8.490 1.00 0.00 C ATOM 151 CG LEU A 19 18.950 -4.810 -7.730 1.00 0.00 C ATOM 152 CD1 LEU A 19 17.710 -4.580 -8.600 1.00 0.00 C ATOM 153 CD2 LEU A 19 18.530 -5.340 -6.360 1.00 0.00 C ATOM 0 H LEU A 19 20.746 -6.774 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 19 18.873 -7.490 -8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.994 -5.327 -8.133 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.956 -5.361 -9.545 1.00 0.00 H new ATOM 0 HG LEU A 19 19.461 -3.871 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 19 16.976 -3.999 -8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.994 -4.036 -9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 19 17.277 -5.541 -8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 19 17.781 -4.677 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.110 -6.340 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 19 19.399 -5.382 -5.704 1.00 0.00 H new ATOM 155 N ASN A 20 21.940 -8.040 -9.360 1.00 0.00 N ATOM 156 CA ASN A 20 22.810 -8.770 -10.290 1.00 0.00 C ATOM 157 C ASN A 20 22.540 -10.260 -10.230 1.00 0.00 C ATOM 158 O ASN A 20 22.370 -10.870 -11.270 1.00 0.00 O ATOM 159 CB ASN A 20 24.270 -8.550 -9.920 1.00 0.00 C ATOM 160 CG ASN A 20 25.140 -8.330 -11.150 1.00 0.00 C ATOM 161 OD1 ASN A 20 24.900 -8.820 -12.250 1.00 0.00 O ATOM 162 ND2 ASN A 20 26.170 -7.550 -10.950 1.00 0.00 N ATOM 0 H ASN A 20 22.431 -7.702 -8.532 1.00 0.00 H new ATOM 0 HA ASN A 20 22.604 -8.396 -11.293 1.00 0.00 H new ATOM 0 HB2 ASN A 20 24.351 -7.687 -9.259 1.00 0.00 H new ATOM 0 HB3 ASN A 20 24.638 -9.413 -9.365 1.00 0.00 H new ATOM 0 HD21 ASN A 20 26.802 -7.333 -11.720 1.00 0.00 H new ATOM 0 HD22 ASN A 20 26.341 -7.159 -10.024 1.00 0.00 H new ATOM 166 N LEU A 21 22.290 -10.790 -9.040 1.00 0.00 N ATOM 167 CA LEU A 21 21.920 -12.190 -8.870 1.00 0.00 C ATOM 168 C LEU A 21 20.520 -12.490 -9.430 1.00 0.00 C ATOM 169 O LEU A 21 20.310 -13.560 -9.990 1.00 0.00 O ATOM 170 CB LEU A 21 21.960 -12.530 -7.390 1.00 0.00 C ATOM 171 CG LEU A 21 23.300 -12.310 -6.700 1.00 0.00 C ATOM 172 CD1 LEU A 21 23.070 -12.420 -5.190 1.00 0.00 C ATOM 173 CD2 LEU A 21 24.380 -13.280 -7.190 1.00 0.00 C ATOM 0 H LEU A 21 22.338 -10.264 -8.167 1.00 0.00 H new ATOM 0 HA LEU A 21 22.631 -12.800 -9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 21 21.206 -11.933 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 21 21.676 -13.575 -7.268 1.00 0.00 H new ATOM 0 HG LEU A 21 23.679 -11.319 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 21 24.014 -12.267 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 21 22.353 -11.662 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 21 22.680 -13.410 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 21 25.314 -13.079 -6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.066 -14.305 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 21 24.529 -13.147 -8.261 1.00 0.00 H new ATOM 175 N ILE A 22 19.590 -11.550 -9.350 1.00 0.00 N ATOM 176 CA ILE A 22 18.260 -11.660 -10.000 1.00 0.00 C ATOM 177 C ILE A 22 18.380 -11.590 -11.530 1.00 0.00 C ATOM 178 O ILE A 22 17.730 -12.360 -12.230 1.00 0.00 O ATOM 179 CB ILE A 22 17.330 -10.580 -9.410 1.00 0.00 C ATOM 180 CG1 ILE A 22 16.930 -11.020 -8.000 1.00 0.00 C ATOM 181 CG2 ILE A 22 16.080 -10.290 -10.260 1.00 0.00 C ATOM 182 CD1 ILE A 22 17.090 -9.870 -7.010 1.00 0.00 C ATOM 0 H ILE A 22 19.721 -10.680 -8.834 1.00 0.00 H new ATOM 0 HA ILE A 22 17.819 -12.635 -9.791 1.00 0.00 H new ATOM 0 HB ILE A 22 17.883 -9.641 -9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 22 15.896 -11.364 -8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 22 17.546 -11.863 -7.688 1.00 0.00 H new ATOM 0 HG21 ILE A 22 15.481 -9.520 -9.775 1.00 0.00 H new ATOM 0 HG22 ILE A 22 16.384 -9.944 -11.248 1.00 0.00 H new ATOM 0 HG23 ILE A 22 15.489 -11.200 -10.360 1.00 0.00 H new ATOM 0 HD11 ILE A 22 16.800 -10.204 -6.014 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.130 -9.545 -6.995 1.00 0.00 H new ATOM 0 HD13 ILE A 22 16.454 -9.038 -7.313 1.00 0.00 H new ATOM 184 N ALA A 23 19.230 -10.680 -12.000 1.00 0.00 N ATOM 185 CA ALA A 23 19.480 -10.490 -13.440 1.00 0.00 C ATOM 186 C ALA A 23 20.290 -11.640 -14.050 1.00 0.00 C ATOM 187 O ALA A 23 19.900 -12.210 -15.070 1.00 0.00 O ATOM 188 CB ALA A 23 20.200 -9.150 -13.660 1.00 0.00 C ATOM 0 H ALA A 23 19.767 -10.052 -11.402 1.00 0.00 H new ATOM 0 HA ALA A 23 18.516 -10.482 -13.948 1.00 0.00 H new ATOM 0 HB1 ALA A 23 20.386 -9.007 -14.725 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.577 -8.337 -13.288 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.149 -9.154 -13.123 1.00 0.00 H new ATOM 190 N SER A 24 21.330 -12.060 -13.330 1.00 0.00 N ATOM 191 CA SER A 24 22.210 -13.190 -13.690 1.00 0.00 C ATOM 192 C SER A 24 21.560 -14.550 -13.360 1.00 0.00 C ATOM 193 O SER A 24 22.070 -15.600 -13.740 1.00 0.00 O ATOM 194 CB SER A 24 23.540 -13.090 -12.920 1.00 0.00 C ATOM 195 OG SER A 24 24.610 -13.620 -13.690 1.00 0.00 O ATOM 0 H SER A 24 21.598 -11.615 -12.452 1.00 0.00 H new ATOM 0 HA SER A 24 22.382 -13.132 -14.765 1.00 0.00 H new ATOM 0 HB2 SER A 24 23.745 -12.048 -12.673 1.00 0.00 H new ATOM 0 HB3 SER A 24 23.461 -13.632 -11.977 1.00 0.00 H new ATOM 0 HG SER A 24 25.446 -13.546 -13.184 1.00 0.00 H new ATOM 198 N ASP A 25 20.440 -14.500 -12.630 1.00 0.00 N ATOM 199 CA ASP A 25 19.670 -15.680 -12.190 1.00 0.00 C ATOM 200 C ASP A 25 20.560 -16.640 -11.380 1.00 0.00 C ATOM 201 O ASP A 25 20.520 -17.860 -11.520 1.00 0.00 O ATOM 202 CB ASP A 25 19.060 -16.330 -13.440 1.00 0.00 C ATOM 203 CG ASP A 25 17.640 -16.830 -13.200 1.00 0.00 C ATOM 204 OD1 ASP A 25 16.720 -16.000 -13.350 1.00 0.00 O ATOM 205 OD2 ASP A 25 17.500 -18.020 -12.860 1.00 0.00 O ATOM 0 H ASP A 25 20.030 -13.619 -12.319 1.00 0.00 H new ATOM 0 HA ASP A 25 18.862 -15.395 -11.516 1.00 0.00 H new ATOM 0 HB2 ASP A 25 19.055 -15.608 -14.256 1.00 0.00 H new ATOM 0 HB3 ASP A 25 19.687 -17.163 -13.756 1.00 0.00 H new ATOM 207 N GLY A 26 21.340 -16.020 -10.510 1.00 0.00 N ATOM 208 CA GLY A 26 22.360 -16.680 -9.680 1.00 0.00 C ATOM 209 C GLY A 26 23.720 -16.900 -10.370 1.00 0.00 C ATOM 210 O GLY A 26 24.000 -16.260 -11.390 1.00 0.00 O ATOM 0 H GLY A 26 21.287 -15.014 -10.350 1.00 0.00 H new ATOM 0 HA2 GLY A 26 22.518 -16.083 -8.782 1.00 0.00 H new ATOM 0 HA3 GLY A 26 21.973 -17.646 -9.356 1.00 0.00 H new ATOM 212 N PRO A 27 24.560 -17.730 -9.740 1.00 0.00 N ATOM 213 CA PRO A 27 24.290 -18.400 -8.450 1.00 0.00 C ATOM 214 C PRO A 27 24.400 -17.410 -7.280 1.00 0.00 C ATOM 215 O PRO A 27 25.110 -16.410 -7.340 1.00 0.00 O ATOM 216 CB PRO A 27 25.330 -19.520 -8.350 1.00 0.00 C ATOM 217 CG PRO A 27 26.500 -19.010 -9.180 1.00 0.00 C ATOM 218 CD PRO A 27 25.890 -18.110 -10.260 1.00 0.00 C ATOM 0 HA PRO A 27 23.276 -18.798 -8.400 1.00 0.00 H new ATOM 0 HB2 PRO A 27 25.623 -19.702 -7.316 1.00 0.00 H new ATOM 0 HB3 PRO A 27 24.943 -20.461 -8.741 1.00 0.00 H new ATOM 0 HG2 PRO A 27 27.205 -18.454 -8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 27 27.051 -19.837 -9.627 1.00 0.00 H new ATOM 0 HD2 PRO A 27 26.510 -17.231 -10.437 1.00 0.00 H new ATOM 0 HD3 PRO A 27 25.806 -18.637 -11.210 1.00 0.00 H new ATOM 219 N PHE A 28 23.470 -17.600 -6.350 1.00 0.00 N ATOM 220 CA PHE A 28 23.350 -16.710 -5.190 1.00 0.00 C ATOM 221 C PHE A 28 24.190 -17.220 -4.010 1.00 0.00 C ATOM 222 O PHE A 28 24.240 -18.430 -3.770 1.00 0.00 O ATOM 223 CB PHE A 28 21.890 -16.610 -4.770 1.00 0.00 C ATOM 224 CG PHE A 28 20.890 -16.080 -5.820 1.00 0.00 C ATOM 225 CD1 PHE A 28 20.450 -16.910 -6.870 1.00 0.00 C ATOM 226 CD2 PHE A 28 20.310 -14.810 -5.620 1.00 0.00 C ATOM 227 CE1 PHE A 28 19.460 -16.450 -7.770 1.00 0.00 C ATOM 228 CE2 PHE A 28 19.320 -14.350 -6.510 1.00 0.00 C ATOM 229 CZ PHE A 28 18.920 -15.160 -7.600 1.00 0.00 C ATOM 0 H PHE A 28 22.788 -18.358 -6.372 1.00 0.00 H new ATOM 0 HA PHE A 28 23.722 -15.726 -5.476 1.00 0.00 H new ATOM 0 HB2 PHE A 28 21.559 -17.601 -4.458 1.00 0.00 H new ATOM 0 HB3 PHE A 28 21.834 -15.964 -3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 28 20.869 -17.898 -6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 28 20.623 -14.194 -4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 28 19.122 -17.081 -8.579 1.00 0.00 H new ATOM 0 HE2 PHE A 28 18.867 -13.381 -6.361 1.00 0.00 H new ATOM 0 HZ PHE A 28 18.195 -14.786 -8.307 1.00 0.00 H new ATOM 231 N PRO A 29 24.910 -16.300 -3.330 1.00 0.00 N ATOM 232 CA PRO A 29 25.790 -16.640 -2.200 1.00 0.00 C ATOM 233 C PRO A 29 24.990 -16.970 -0.940 1.00 0.00 C ATOM 234 O PRO A 29 25.020 -18.090 -0.450 1.00 0.00 O ATOM 235 CB PRO A 29 26.720 -15.430 -2.060 1.00 0.00 C ATOM 236 CG PRO A 29 25.920 -14.250 -2.600 1.00 0.00 C ATOM 237 CD PRO A 29 25.020 -14.870 -3.670 1.00 0.00 C ATOM 0 HA PRO A 29 26.370 -17.548 -2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 29 27.005 -15.270 -1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 29 27.641 -15.573 -2.625 1.00 0.00 H new ATOM 0 HG2 PRO A 29 25.335 -13.772 -1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 29 26.572 -13.485 -3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 29 24.039 -14.394 -3.678 1.00 0.00 H new ATOM 0 HD3 PRO A 29 25.447 -14.737 -4.664 1.00 0.00 H new ATOM 238 N TYR A 30 24.240 -15.980 -0.450 1.00 0.00 N ATOM 239 CA TYR A 30 23.350 -16.150 0.710 1.00 0.00 C ATOM 240 C TYR A 30 22.290 -17.220 0.460 1.00 0.00 C ATOM 241 O TYR A 30 21.920 -17.450 -0.680 1.00 0.00 O ATOM 242 CB TYR A 30 22.680 -14.800 1.040 1.00 0.00 C ATOM 243 CG TYR A 30 23.430 -14.020 2.120 1.00 0.00 C ATOM 244 CD1 TYR A 30 24.810 -14.210 2.360 1.00 0.00 C ATOM 245 CD2 TYR A 30 22.670 -13.110 2.900 1.00 0.00 C ATOM 246 CE1 TYR A 30 25.450 -13.490 3.380 1.00 0.00 C ATOM 247 CE2 TYR A 30 23.310 -12.380 3.910 1.00 0.00 C ATOM 248 CZ TYR A 30 24.690 -12.570 4.130 1.00 0.00 C ATOM 249 OH TYR A 30 25.330 -11.790 5.040 1.00 0.00 O ATOM 0 H TYR A 30 24.230 -15.039 -0.842 1.00 0.00 H new ATOM 0 HA TYR A 30 23.951 -16.482 1.556 1.00 0.00 H new ATOM 0 HB2 TYR A 30 22.623 -14.196 0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 30 21.656 -14.978 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 30 25.372 -14.909 1.758 1.00 0.00 H new ATOM 0 HD2 TYR A 30 21.613 -12.982 2.718 1.00 0.00 H new ATOM 0 HE1 TYR A 30 26.500 -13.637 3.586 1.00 0.00 H new ATOM 0 HE2 TYR A 30 22.753 -11.679 4.514 1.00 0.00 H new ATOM 0 HH TYR A 30 24.681 -11.203 5.482 1.00 0.00 H new ATOM 252 N SER A 31 21.800 -17.800 1.540 1.00 0.00 N ATOM 253 CA SER A 31 20.700 -18.790 1.460 1.00 0.00 C ATOM 254 C SER A 31 19.320 -18.120 1.280 1.00 0.00 C ATOM 255 O SER A 31 18.280 -18.760 1.170 1.00 0.00 O ATOM 256 CB SER A 31 20.720 -19.670 2.710 1.00 0.00 C ATOM 257 OG SER A 31 20.220 -20.960 2.380 1.00 0.00 O ATOM 0 H SER A 31 22.133 -17.615 2.486 1.00 0.00 H new ATOM 0 HA SER A 31 20.862 -19.406 0.576 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.736 -19.748 3.098 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.112 -19.221 3.496 1.00 0.00 H new ATOM 0 HG SER A 31 20.232 -21.529 3.178 1.00 0.00 H new ATOM 260 N GLN A 32 19.350 -16.800 1.180 1.00 0.00 N ATOM 261 CA GLN A 32 18.150 -15.960 1.010 1.00 0.00 C ATOM 262 C GLN A 32 17.920 -15.600 -0.450 1.00 0.00 C ATOM 263 O GLN A 32 18.310 -14.530 -0.930 1.00 0.00 O ATOM 264 CB GLN A 32 18.290 -14.730 1.880 1.00 0.00 C ATOM 265 CG GLN A 32 17.400 -14.910 3.100 1.00 0.00 C ATOM 266 CD GLN A 32 16.680 -13.610 3.360 1.00 0.00 C ATOM 267 OE1 GLN A 32 16.150 -13.000 2.440 1.00 0.00 O ATOM 268 NE2 GLN A 32 16.740 -13.150 4.600 1.00 0.00 N ATOM 0 H GLN A 32 20.217 -16.263 1.214 1.00 0.00 H new ATOM 0 HA GLN A 32 17.269 -16.520 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 32 19.328 -14.594 2.183 1.00 0.00 H new ATOM 0 HB3 GLN A 32 18.000 -13.837 1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 32 16.683 -15.713 2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 32 17.997 -15.193 3.967 1.00 0.00 H new ATOM 0 HE21 GLN A 32 17.195 -13.702 5.327 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.332 -12.244 4.828 1.00 0.00 H new ATOM 272 N ASP A 33 17.370 -16.600 -1.130 1.00 0.00 N ATOM 273 CA ASP A 33 17.050 -16.550 -2.560 1.00 0.00 C ATOM 274 C ASP A 33 16.390 -17.820 -3.090 1.00 0.00 C ATOM 275 O ASP A 33 16.870 -18.920 -2.820 1.00 0.00 O ATOM 276 CB ASP A 33 18.300 -16.310 -3.390 1.00 0.00 C ATOM 277 CG ASP A 33 19.290 -17.460 -3.310 1.00 0.00 C ATOM 278 OD1 ASP A 33 20.110 -17.390 -2.390 1.00 0.00 O ATOM 279 OD2 ASP A 33 19.270 -18.280 -4.250 1.00 0.00 O ATOM 0 H ASP A 33 17.127 -17.491 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 33 16.342 -15.726 -2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.015 -16.154 -4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.785 -15.395 -3.051 1.00 0.00 H new ATOM 281 N GLY A 34 15.450 -17.600 -3.990 1.00 0.00 N ATOM 282 CA GLY A 34 14.700 -18.680 -4.660 1.00 0.00 C ATOM 283 C GLY A 34 13.440 -19.070 -3.870 1.00 0.00 C ATOM 284 O GLY A 34 12.990 -20.210 -3.900 1.00 0.00 O ATOM 0 H GLY A 34 15.173 -16.665 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.417 -18.359 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.343 -19.553 -4.775 1.00 0.00 H new ATOM 286 N VAL A 35 12.900 -18.070 -3.190 1.00 0.00 N ATOM 287 CA VAL A 35 11.670 -18.180 -2.390 1.00 0.00 C ATOM 288 C VAL A 35 10.660 -17.140 -2.860 1.00 0.00 C ATOM 289 O VAL A 35 11.060 -16.040 -3.230 1.00 0.00 O ATOM 290 CB VAL A 35 11.970 -18.020 -0.880 1.00 0.00 C ATOM 291 CG1 VAL A 35 12.800 -19.190 -0.350 1.00 0.00 C ATOM 292 CG2 VAL A 35 12.680 -16.710 -0.520 1.00 0.00 C ATOM 0 H VAL A 35 13.307 -17.135 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 35 11.246 -19.174 -2.533 1.00 0.00 H new ATOM 0 HB VAL A 35 10.990 -18.003 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.993 -19.047 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.252 -20.121 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.747 -19.237 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.854 -16.674 0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.634 -16.657 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.057 -15.866 -0.815 1.00 0.00 H new ATOM 294 N VAL A 36 9.390 -17.520 -2.790 1.00 0.00 N ATOM 295 CA VAL A 36 8.230 -16.670 -3.140 1.00 0.00 C ATOM 296 C VAL A 36 7.850 -15.790 -1.940 1.00 0.00 C ATOM 297 O VAL A 36 8.110 -16.120 -0.790 1.00 0.00 O ATOM 298 CB VAL A 36 7.070 -17.540 -3.660 1.00 0.00 C ATOM 299 CG1 VAL A 36 5.670 -16.920 -3.640 1.00 0.00 C ATOM 300 CG2 VAL A 36 7.340 -17.970 -5.100 1.00 0.00 C ATOM 0 H VAL A 36 9.118 -18.453 -2.481 1.00 0.00 H new ATOM 0 HA VAL A 36 8.489 -15.993 -3.954 1.00 0.00 H new ATOM 0 HB VAL A 36 7.051 -18.366 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.949 -17.637 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.402 -16.659 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.661 -16.022 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.514 -18.584 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.435 -17.087 -5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.264 -18.546 -5.140 1.00 0.00 H new ATOM 302 N PHE A 37 7.190 -14.680 -2.270 1.00 0.00 N ATOM 303 CA PHE A 37 6.640 -13.760 -1.270 1.00 0.00 C ATOM 304 C PHE A 37 5.240 -13.320 -1.720 1.00 0.00 C ATOM 305 O PHE A 37 5.110 -12.290 -2.370 1.00 0.00 O ATOM 306 CB PHE A 37 7.600 -12.560 -1.180 1.00 0.00 C ATOM 307 CG PHE A 37 7.130 -11.490 -0.200 1.00 0.00 C ATOM 308 CD1 PHE A 37 7.170 -11.760 1.180 1.00 0.00 C ATOM 309 CD2 PHE A 37 6.680 -10.230 -0.670 1.00 0.00 C ATOM 310 CE1 PHE A 37 6.780 -10.760 2.100 1.00 0.00 C ATOM 311 CE2 PHE A 37 6.300 -9.230 0.260 1.00 0.00 C ATOM 312 CZ PHE A 37 6.350 -9.500 1.640 1.00 0.00 C ATOM 0 H PHE A 37 7.021 -14.392 -3.234 1.00 0.00 H new ATOM 0 HA PHE A 37 6.547 -14.229 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.586 -12.913 -0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 37 7.710 -12.115 -2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 37 7.497 -12.726 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.627 -10.033 -1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.812 -10.963 3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.973 -8.262 -0.090 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.058 -8.739 2.349 1.00 0.00 H new ATOM 314 N GLN A 38 4.180 -14.050 -1.380 1.00 0.00 N ATOM 315 CA GLN A 38 2.800 -13.660 -1.780 1.00 0.00 C ATOM 316 C GLN A 38 2.300 -12.400 -1.040 1.00 0.00 C ATOM 317 O GLN A 38 1.280 -12.400 -0.360 1.00 0.00 O ATOM 318 CB GLN A 38 1.830 -14.820 -1.550 1.00 0.00 C ATOM 319 CG GLN A 38 0.480 -14.480 -2.190 1.00 0.00 C ATOM 320 CD GLN A 38 -0.740 -14.470 -1.260 1.00 0.00 C ATOM 321 OE1 GLN A 38 -0.750 -14.020 -0.120 1.00 0.00 O ATOM 322 NE2 GLN A 38 -1.840 -14.960 -1.770 1.00 0.00 N ATOM 0 H GLN A 38 4.233 -14.910 -0.834 1.00 0.00 H new ATOM 0 HA GLN A 38 2.837 -13.418 -2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.231 -15.737 -1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.705 -15.000 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.562 -13.497 -2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.292 -15.196 -2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.839 -15.336 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.699 -14.966 -1.220 1.00 0.00 H new ATOM 326 N ASN A 39 3.090 -11.330 -1.110 1.00 0.00 N ATOM 327 CA ASN A 39 2.890 -10.070 -0.370 1.00 0.00 C ATOM 328 C ASN A 39 2.170 -10.320 0.960 1.00 0.00 C ATOM 329 O ASN A 39 1.080 -9.820 1.200 1.00 0.00 O ATOM 330 CB ASN A 39 2.190 -9.070 -1.290 1.00 0.00 C ATOM 331 CG ASN A 39 2.040 -7.690 -0.630 1.00 0.00 C ATOM 332 OD1 ASN A 39 2.750 -7.300 0.290 1.00 0.00 O ATOM 333 ND2 ASN A 39 1.120 -6.920 -1.160 1.00 0.00 N ATOM 0 H ASN A 39 3.919 -11.309 -1.703 1.00 0.00 H new ATOM 0 HA ASN A 39 3.846 -9.631 -0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.757 -8.970 -2.215 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.205 -9.452 -1.559 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.982 -5.973 -0.807 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.542 -7.268 -1.925 1.00 0.00 H new ATOM 337 N ARG A 40 2.720 -11.280 1.720 1.00 0.00 N ATOM 338 CA ARG A 40 2.100 -11.720 2.990 1.00 0.00 C ATOM 339 C ARG A 40 1.930 -10.570 3.990 1.00 0.00 C ATOM 340 O ARG A 40 1.090 -10.600 4.880 1.00 0.00 O ATOM 341 CB ARG A 40 2.870 -12.880 3.630 1.00 0.00 C ATOM 342 CG ARG A 40 4.350 -12.570 3.810 1.00 0.00 C ATOM 343 CD ARG A 40 5.170 -13.650 3.120 1.00 0.00 C ATOM 344 NE ARG A 40 5.330 -14.770 4.050 1.00 0.00 N ATOM 345 CZ ARG A 40 6.080 -15.850 3.840 1.00 0.00 C ATOM 346 NH1 ARG A 40 6.800 -16.010 2.740 1.00 0.00 N ATOM 347 NH2 ARG A 40 6.110 -16.780 4.780 1.00 0.00 N ATOM 0 H ARG A 40 3.585 -11.766 1.484 1.00 0.00 H new ATOM 0 HA ARG A 40 1.104 -12.077 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.430 -13.112 4.600 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.761 -13.770 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.584 -11.593 3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.600 -12.528 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.672 -13.981 2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.144 -13.258 2.826 1.00 0.00 H new ATOM 0 HE ARG A 40 4.824 -14.718 4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.793 -15.291 2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.362 -16.852 2.616 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.568 -16.658 5.636 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.675 -17.619 4.649 1.00 0.00 H new ATOM 354 N GLU A 41 2.730 -9.540 3.740 1.00 0.00 N ATOM 355 CA GLU A 41 2.640 -8.280 4.460 1.00 0.00 C ATOM 356 C GLU A 41 1.590 -7.300 3.910 1.00 0.00 C ATOM 357 O GLU A 41 1.350 -6.280 4.550 1.00 0.00 O ATOM 358 CB GLU A 41 4.000 -7.620 4.480 1.00 0.00 C ATOM 359 CG GLU A 41 4.460 -7.700 5.930 1.00 0.00 C ATOM 360 CD GLU A 41 5.660 -6.790 6.080 1.00 0.00 C ATOM 361 OE1 GLU A 41 6.710 -7.240 5.580 1.00 0.00 O ATOM 362 OE2 GLU A 41 5.430 -5.650 6.530 1.00 0.00 O ATOM 0 H GLU A 41 3.461 -9.558 3.029 1.00 0.00 H new ATOM 0 HA GLU A 41 2.306 -8.529 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.697 -8.133 3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.941 -6.585 4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.660 -7.393 6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.721 -8.725 6.193 1.00 0.00 H new ATOM 364 N SER A 42 1.000 -7.620 2.760 1.00 0.00 N ATOM 365 CA SER A 42 0.000 -6.770 2.070 1.00 0.00 C ATOM 366 C SER A 42 0.410 -5.280 2.060 1.00 0.00 C ATOM 367 O SER A 42 -0.340 -4.360 2.380 1.00 0.00 O ATOM 368 CB SER A 42 -1.380 -7.010 2.680 1.00 0.00 C ATOM 369 OG SER A 42 -2.390 -6.260 2.000 1.00 0.00 O ATOM 0 H SER A 42 1.199 -8.489 2.264 1.00 0.00 H new ATOM 0 HA SER A 42 -0.045 -7.056 1.019 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.620 -8.072 2.633 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.367 -6.732 3.734 1.00 0.00 H new ATOM 0 HG SER A 42 -2.132 -5.315 1.971 1.00 0.00 H new ATOM 372 N VAL A 43 1.700 -5.090 1.790 1.00 0.00 N ATOM 373 CA VAL A 43 2.280 -3.730 1.770 1.00 0.00 C ATOM 374 C VAL A 43 2.690 -3.360 0.330 1.00 0.00 C ATOM 375 O VAL A 43 3.120 -2.260 0.050 1.00 0.00 O ATOM 376 CB VAL A 43 3.440 -3.600 2.780 1.00 0.00 C ATOM 377 CG1 VAL A 43 4.160 -2.250 2.720 1.00 0.00 C ATOM 378 CG2 VAL A 43 2.930 -3.700 4.220 1.00 0.00 C ATOM 0 H VAL A 43 2.361 -5.839 1.584 1.00 0.00 H new ATOM 0 HA VAL A 43 1.526 -3.011 2.091 1.00 0.00 H new ATOM 0 HB VAL A 43 4.118 -4.408 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.962 -2.232 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.579 -2.105 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.452 -1.450 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.768 -3.605 4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.213 -2.901 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.445 -4.665 4.368 1.00 0.00 H new ATOM 380 N LEU A 44 2.710 -4.340 -0.550 1.00 0.00 N ATOM 381 CA LEU A 44 3.170 -4.120 -1.920 1.00 0.00 C ATOM 382 C LEU A 44 1.950 -3.830 -2.800 1.00 0.00 C ATOM 383 O LEU A 44 0.860 -4.280 -2.460 1.00 0.00 O ATOM 384 CB LEU A 44 3.920 -5.400 -2.310 1.00 0.00 C ATOM 385 CG LEU A 44 5.290 -5.630 -1.620 1.00 0.00 C ATOM 386 CD1 LEU A 44 6.360 -4.960 -2.430 1.00 0.00 C ATOM 387 CD2 LEU A 44 5.480 -5.120 -0.210 1.00 0.00 C ATOM 0 H LEU A 44 2.416 -5.296 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 44 3.838 -3.266 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.278 -6.253 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.077 -5.389 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 44 5.342 -6.717 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.328 -5.115 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.377 -5.385 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.154 -3.892 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.488 -5.358 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.337 -4.040 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.753 -5.594 0.449 1.00 0.00 H new ATOM 389 N PRO A 45 2.100 -3.060 -3.890 1.00 0.00 N ATOM 390 CA PRO A 45 0.970 -2.680 -4.770 1.00 0.00 C ATOM 391 C PRO A 45 0.520 -3.830 -5.680 1.00 0.00 C ATOM 392 O PRO A 45 0.320 -3.660 -6.880 1.00 0.00 O ATOM 393 CB PRO A 45 1.500 -1.460 -5.530 1.00 0.00 C ATOM 394 CG PRO A 45 3.000 -1.710 -5.650 1.00 0.00 C ATOM 395 CD PRO A 45 3.360 -2.440 -4.350 1.00 0.00 C ATOM 0 HA PRO A 45 0.060 -2.446 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.033 -1.369 -6.511 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.293 -0.535 -4.991 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.235 -2.315 -6.526 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.553 -0.776 -5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.129 -3.193 -4.522 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.752 -1.747 -3.605 1.00 0.00 H new ATOM 396 N THR A 46 0.280 -4.980 -5.040 1.00 0.00 N ATOM 397 CA THR A 46 -0.140 -6.240 -5.690 1.00 0.00 C ATOM 398 C THR A 46 -0.870 -7.090 -4.620 1.00 0.00 C ATOM 399 O THR A 46 -1.460 -6.510 -3.710 1.00 0.00 O ATOM 400 CB THR A 46 1.080 -6.940 -6.300 1.00 0.00 C ATOM 401 OG1 THR A 46 1.960 -6.000 -6.930 1.00 0.00 O ATOM 402 CG2 THR A 46 0.700 -7.950 -7.390 1.00 0.00 C ATOM 0 H THR A 46 0.373 -5.069 -4.028 1.00 0.00 H new ATOM 0 HA THR A 46 -0.828 -6.067 -6.518 1.00 0.00 H new ATOM 0 HB THR A 46 1.559 -7.446 -5.462 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.806 -5.963 -6.437 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.603 -8.415 -7.786 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.053 -8.718 -6.965 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.174 -7.436 -8.194 1.00 0.00 H new ATOM 405 N GLN A 47 -0.680 -8.410 -4.650 1.00 0.00 N ATOM 406 CA GLN A 47 -1.380 -9.430 -3.820 1.00 0.00 C ATOM 407 C GLN A 47 -1.170 -10.840 -4.390 1.00 0.00 C ATOM 408 O GLN A 47 -1.170 -11.820 -3.650 1.00 0.00 O ATOM 409 CB GLN A 47 -2.890 -9.140 -3.730 1.00 0.00 C ATOM 410 CG GLN A 47 -3.740 -10.300 -3.180 1.00 0.00 C ATOM 411 CD GLN A 47 -5.100 -9.820 -2.720 1.00 0.00 C ATOM 412 OE1 GLN A 47 -5.960 -9.390 -3.480 1.00 0.00 O ATOM 413 NE2 GLN A 47 -5.290 -9.900 -1.430 1.00 0.00 N ATOM 0 H GLN A 47 -0.001 -8.833 -5.282 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.950 -9.378 -2.820 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.040 -8.266 -3.096 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.255 -8.880 -4.723 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.863 -11.060 -3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.218 -10.772 -2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.552 -10.263 -0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.177 -9.599 -1.025 1.00 0.00 H new ATOM 417 N SER A 48 -1.130 -10.920 -5.720 1.00 0.00 N ATOM 418 CA SER A 48 -0.950 -12.190 -6.460 1.00 0.00 C ATOM 419 C SER A 48 0.110 -13.110 -5.830 1.00 0.00 C ATOM 420 O SER A 48 1.030 -12.690 -5.120 1.00 0.00 O ATOM 421 CB SER A 48 -0.600 -11.900 -7.930 1.00 0.00 C ATOM 422 OG SER A 48 0.500 -11.000 -7.990 1.00 0.00 O ATOM 0 H SER A 48 -1.221 -10.106 -6.327 1.00 0.00 H new ATOM 0 HA SER A 48 -1.898 -12.725 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.352 -12.828 -8.445 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.462 -11.472 -8.442 1.00 0.00 H new ATOM 0 HG SER A 48 0.713 -10.805 -8.927 1.00 0.00 H new ATOM 425 N TYR A 49 -0.070 -14.390 -6.110 1.00 0.00 N ATOM 426 CA TYR A 49 0.760 -15.460 -5.530 1.00 0.00 C ATOM 427 C TYR A 49 1.820 -15.890 -6.530 1.00 0.00 C ATOM 428 O TYR A 49 1.530 -16.080 -7.710 1.00 0.00 O ATOM 429 CB TYR A 49 -0.140 -16.630 -5.110 1.00 0.00 C ATOM 430 CG TYR A 49 0.590 -17.700 -4.270 1.00 0.00 C ATOM 431 CD1 TYR A 49 1.550 -18.530 -4.890 1.00 0.00 C ATOM 432 CD2 TYR A 49 0.290 -17.820 -2.890 1.00 0.00 C ATOM 433 CE1 TYR A 49 2.240 -19.480 -4.120 1.00 0.00 C ATOM 434 CE2 TYR A 49 0.980 -18.780 -2.120 1.00 0.00 C ATOM 435 CZ TYR A 49 1.950 -19.590 -2.750 1.00 0.00 C ATOM 436 OH TYR A 49 2.610 -20.530 -2.030 1.00 0.00 O ATOM 0 H TYR A 49 -0.793 -14.728 -6.745 1.00 0.00 H new ATOM 0 HA TYR A 49 1.276 -15.096 -4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.982 -16.242 -4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.552 -17.100 -6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.752 -18.435 -5.947 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.456 -17.186 -2.434 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.984 -20.118 -4.575 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.770 -18.893 -1.067 1.00 0.00 H new ATOM 0 HH TYR A 49 2.313 -20.495 -1.097 1.00 0.00 H new ATOM 439 N GLY A 50 3.050 -15.970 -6.020 1.00 0.00 N ATOM 440 CA GLY A 50 4.200 -16.420 -6.840 1.00 0.00 C ATOM 441 C GLY A 50 4.750 -15.330 -7.760 1.00 0.00 C ATOM 442 O GLY A 50 5.860 -15.450 -8.270 1.00 0.00 O ATOM 0 H GLY A 50 3.285 -15.734 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.996 -16.764 -6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.895 -17.275 -7.443 1.00 0.00 H new ATOM 444 N TYR A 51 4.030 -14.220 -7.830 1.00 0.00 N ATOM 445 CA TYR A 51 4.410 -13.030 -8.620 1.00 0.00 C ATOM 446 C TYR A 51 5.530 -12.210 -7.950 1.00 0.00 C ATOM 447 O TYR A 51 5.880 -11.120 -8.410 1.00 0.00 O ATOM 448 CB TYR A 51 3.150 -12.170 -8.720 1.00 0.00 C ATOM 449 CG TYR A 51 2.950 -11.530 -10.100 1.00 0.00 C ATOM 450 CD1 TYR A 51 2.420 -12.330 -11.130 1.00 0.00 C ATOM 451 CD2 TYR A 51 3.260 -10.170 -10.300 1.00 0.00 C ATOM 452 CE1 TYR A 51 2.210 -11.770 -12.400 1.00 0.00 C ATOM 453 CE2 TYR A 51 3.050 -9.600 -11.570 1.00 0.00 C ATOM 454 CZ TYR A 51 2.550 -10.420 -12.610 1.00 0.00 C ATOM 455 OH TYR A 51 2.600 -9.960 -13.890 1.00 0.00 O ATOM 0 H TYR A 51 3.146 -14.107 -7.334 1.00 0.00 H new ATOM 0 HA TYR A 51 4.792 -13.341 -9.592 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.281 -12.785 -8.485 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.197 -11.383 -7.967 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.177 -13.366 -10.945 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.653 -9.573 -9.490 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.795 -12.364 -13.201 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.266 -8.557 -11.747 1.00 0.00 H new ATOM 0 HH TYR A 51 2.846 -9.011 -13.887 1.00 0.00 H new ATOM 458 N TYR A 52 5.970 -12.700 -6.800 1.00 0.00 N ATOM 459 CA TYR A 52 6.990 -12.060 -5.960 1.00 0.00 C ATOM 460 C TYR A 52 7.960 -13.120 -5.460 1.00 0.00 C ATOM 461 O TYR A 52 7.550 -14.260 -5.230 1.00 0.00 O ATOM 462 CB TYR A 52 6.340 -11.520 -4.710 1.00 0.00 C ATOM 463 CG TYR A 52 5.610 -10.200 -4.850 1.00 0.00 C ATOM 464 CD1 TYR A 52 4.450 -10.080 -5.640 1.00 0.00 C ATOM 465 CD2 TYR A 52 6.220 -9.120 -4.200 1.00 0.00 C ATOM 466 CE1 TYR A 52 3.900 -8.800 -5.810 1.00 0.00 C ATOM 467 CE2 TYR A 52 5.650 -7.850 -4.370 1.00 0.00 C ATOM 468 CZ TYR A 52 4.510 -7.700 -5.170 1.00 0.00 C ATOM 469 OH TYR A 52 4.010 -6.450 -5.300 1.00 0.00 O ATOM 0 H TYR A 52 5.623 -13.576 -6.409 1.00 0.00 H new ATOM 0 HA TYR A 52 7.479 -11.283 -6.547 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.634 -12.264 -4.343 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.109 -11.406 -3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.998 -10.946 -6.101 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.099 -9.260 -3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.022 -8.659 -6.422 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.089 -6.990 -3.886 1.00 0.00 H new ATOM 0 HH TYR A 52 4.647 -5.893 -5.794 1.00 0.00 H new ATOM 472 N HIS A 53 9.070 -12.600 -4.960 1.00 0.00 N ATOM 473 CA HIS A 53 10.180 -13.400 -4.440 1.00 0.00 C ATOM 474 C HIS A 53 11.070 -12.580 -3.500 1.00 0.00 C ATOM 475 O HIS A 53 11.020 -11.350 -3.490 1.00 0.00 O ATOM 476 CB HIS A 53 11.010 -13.990 -5.590 1.00 0.00 C ATOM 477 CG HIS A 53 10.270 -14.980 -6.490 1.00 0.00 C ATOM 478 ND1 HIS A 53 9.620 -14.670 -7.600 1.00 0.00 N ATOM 479 CD2 HIS A 53 10.120 -16.280 -6.270 1.00 0.00 C ATOM 480 CE1 HIS A 53 9.050 -15.770 -8.070 1.00 0.00 C ATOM 481 NE2 HIS A 53 9.360 -16.760 -7.250 1.00 0.00 N ATOM 0 H HIS A 53 9.232 -11.595 -4.901 1.00 0.00 H new ATOM 0 HA HIS A 53 9.753 -14.220 -3.863 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.380 -13.171 -6.206 1.00 0.00 H new ATOM 0 HB3 HIS A 53 11.882 -14.490 -5.168 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.537 -16.843 -5.448 1.00 0.00 H new ATOM 0 HE1 HIS A 53 8.443 -15.844 -8.960 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.065 -17.731 -7.352 1.00 0.00 H new ATOM 485 N GLU A 54 11.810 -13.290 -2.660 1.00 0.00 N ATOM 486 CA GLU A 54 12.700 -12.660 -1.670 1.00 0.00 C ATOM 487 C GLU A 54 14.150 -12.980 -2.010 1.00 0.00 C ATOM 488 O GLU A 54 14.460 -14.090 -2.450 1.00 0.00 O ATOM 489 CB GLU A 54 12.460 -13.190 -0.270 1.00 0.00 C ATOM 490 CG GLU A 54 11.030 -12.920 0.210 1.00 0.00 C ATOM 491 CD GLU A 54 10.460 -14.070 1.040 1.00 0.00 C ATOM 492 OE1 GLU A 54 11.230 -14.810 1.690 1.00 0.00 O ATOM 493 OE2 GLU A 54 9.220 -14.220 1.000 1.00 0.00 O ATOM 0 H GLU A 54 11.818 -14.310 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 54 12.495 -11.590 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.652 -14.263 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 54 13.167 -12.727 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.017 -12.007 0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.388 -12.747 -0.654 1.00 0.00 H new ATOM 495 N TYR A 55 14.980 -11.970 -1.770 1.00 0.00 N ATOM 496 CA TYR A 55 16.410 -12.000 -2.130 1.00 0.00 C ATOM 497 C TYR A 55 17.170 -10.950 -1.300 1.00 0.00 C ATOM 498 O TYR A 55 17.530 -9.890 -1.810 1.00 0.00 O ATOM 499 CB TYR A 55 16.550 -11.680 -3.620 1.00 0.00 C ATOM 500 CG TYR A 55 15.900 -12.640 -4.620 1.00 0.00 C ATOM 501 CD1 TYR A 55 16.440 -13.920 -4.790 1.00 0.00 C ATOM 502 CD2 TYR A 55 14.740 -12.230 -5.290 1.00 0.00 C ATOM 503 CE1 TYR A 55 15.770 -14.850 -5.620 1.00 0.00 C ATOM 504 CE2 TYR A 55 14.110 -13.150 -6.150 1.00 0.00 C ATOM 505 CZ TYR A 55 14.610 -14.460 -6.280 1.00 0.00 C ATOM 506 OH TYR A 55 13.880 -15.360 -6.990 1.00 0.00 O ATOM 0 H TYR A 55 14.688 -11.102 -1.320 1.00 0.00 H new ATOM 0 HA TYR A 55 16.826 -12.986 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 55 16.134 -10.687 -3.790 1.00 0.00 H new ATOM 0 HB3 TYR A 55 17.614 -11.624 -3.852 1.00 0.00 H new ATOM 0 HD1 TYR A 55 17.358 -14.195 -4.293 1.00 0.00 H new ATOM 0 HD2 TYR A 55 14.340 -11.236 -5.151 1.00 0.00 H new ATOM 0 HE1 TYR A 55 16.155 -15.852 -5.739 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.239 -12.849 -6.713 1.00 0.00 H new ATOM 0 HH TYR A 55 13.102 -14.913 -7.383 1.00 0.00 H new ATOM 509 N THR A 56 17.290 -11.160 0.010 1.00 0.00 N ATOM 510 CA THR A 56 18.070 -10.230 0.880 1.00 0.00 C ATOM 511 C THR A 56 19.320 -9.670 0.210 1.00 0.00 C ATOM 512 O THR A 56 20.030 -10.360 -0.520 1.00 0.00 O ATOM 513 CB THR A 56 18.400 -10.850 2.250 1.00 0.00 C ATOM 514 OG1 THR A 56 17.280 -10.570 3.080 1.00 0.00 O ATOM 515 CG2 THR A 56 19.650 -10.400 3.000 1.00 0.00 C ATOM 0 H THR A 56 16.871 -11.948 0.503 1.00 0.00 H new ATOM 0 HA THR A 56 17.409 -9.380 1.051 1.00 0.00 H new ATOM 0 HB THR A 56 18.614 -11.897 2.033 1.00 0.00 H new ATOM 0 HG1 THR A 56 17.543 -10.648 4.021 1.00 0.00 H new ATOM 0 HG21 THR A 56 19.723 -10.941 3.943 1.00 0.00 H new ATOM 0 HG22 THR A 56 20.532 -10.607 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 56 19.589 -9.330 3.199 1.00 0.00 H new ATOM 518 N VAL A 57 19.540 -8.400 0.510 1.00 0.00 N ATOM 519 CA VAL A 57 20.750 -7.760 0.020 1.00 0.00 C ATOM 520 C VAL A 57 21.810 -7.770 1.120 1.00 0.00 C ATOM 521 O VAL A 57 21.580 -7.270 2.220 1.00 0.00 O ATOM 522 CB VAL A 57 20.430 -6.400 -0.580 1.00 0.00 C ATOM 523 CG1 VAL A 57 20.620 -5.150 0.290 1.00 0.00 C ATOM 524 CG2 VAL A 57 21.320 -6.280 -1.790 1.00 0.00 C ATOM 0 H VAL A 57 18.923 -7.810 1.069 1.00 0.00 H new ATOM 0 HA VAL A 57 21.186 -8.319 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 57 19.356 -6.400 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.349 -4.263 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 57 19.983 -5.220 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.662 -5.077 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.145 -5.321 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.364 -6.345 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.096 -7.087 -2.488 1.00 0.00 H new ATOM 526 N ILE A 58 22.890 -8.500 0.830 1.00 0.00 N ATOM 527 CA ILE A 58 24.100 -8.470 1.670 1.00 0.00 C ATOM 528 C ILE A 58 24.420 -7.010 2.070 1.00 0.00 C ATOM 529 O ILE A 58 24.240 -6.100 1.270 1.00 0.00 O ATOM 530 CB ILE A 58 25.270 -9.160 0.930 1.00 0.00 C ATOM 531 CG1 ILE A 58 25.260 -10.630 1.300 1.00 0.00 C ATOM 532 CG2 ILE A 58 26.680 -8.630 1.200 1.00 0.00 C ATOM 533 CD1 ILE A 58 25.000 -11.510 0.080 1.00 0.00 C ATOM 0 H ILE A 58 22.956 -9.119 0.022 1.00 0.00 H new ATOM 0 HA ILE A 58 23.934 -9.027 2.592 1.00 0.00 H new ATOM 0 HB ILE A 58 25.084 -8.952 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 58 26.216 -10.900 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 58 24.492 -10.812 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 58 27.402 -9.203 0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 58 26.735 -7.580 0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 58 26.909 -8.729 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 58 24.999 -12.558 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 58 24.032 -11.256 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 58 25.783 -11.346 -0.661 1.00 0.00 H new ATOM 535 N THR A 59 25.050 -6.900 3.230 1.00 0.00 N ATOM 536 CA THR A 59 25.440 -5.600 3.810 1.00 0.00 C ATOM 537 C THR A 59 26.710 -5.720 4.680 1.00 0.00 C ATOM 538 O THR A 59 26.910 -6.770 5.300 1.00 0.00 O ATOM 539 CB THR A 59 24.210 -4.970 4.490 1.00 0.00 C ATOM 540 OG1 THR A 59 23.430 -4.400 3.440 1.00 0.00 O ATOM 541 CG2 THR A 59 24.480 -3.850 5.510 1.00 0.00 C ATOM 0 H THR A 59 25.310 -7.702 3.804 1.00 0.00 H new ATOM 0 HA THR A 59 25.746 -4.901 3.031 1.00 0.00 H new ATOM 0 HB THR A 59 23.735 -5.768 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 59 23.468 -3.422 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 59 23.534 -3.492 5.916 1.00 0.00 H new ATOM 0 HG22 THR A 59 25.099 -4.237 6.320 1.00 0.00 H new ATOM 0 HG23 THR A 59 24.999 -3.027 5.018 1.00 0.00 H new ATOM 544 N PRO A 60 27.610 -4.720 4.610 1.00 0.00 N ATOM 545 CA PRO A 60 28.840 -4.730 5.420 1.00 0.00 C ATOM 546 C PRO A 60 28.500 -4.420 6.880 1.00 0.00 C ATOM 547 O PRO A 60 27.510 -3.760 7.180 1.00 0.00 O ATOM 548 CB PRO A 60 29.710 -3.640 4.810 1.00 0.00 C ATOM 549 CG PRO A 60 28.710 -2.630 4.250 1.00 0.00 C ATOM 550 CD PRO A 60 27.510 -3.480 3.820 1.00 0.00 C ATOM 0 HA PRO A 60 29.347 -5.695 5.417 1.00 0.00 H new ATOM 0 HB2 PRO A 60 30.360 -3.184 5.557 1.00 0.00 H new ATOM 0 HB3 PRO A 60 30.355 -4.038 4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 60 28.426 -1.893 5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 60 29.130 -2.080 3.408 1.00 0.00 H new ATOM 0 HD2 PRO A 60 26.571 -2.963 4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 60 27.540 -3.691 2.751 1.00 0.00 H new ATOM 551 N GLY A 61 29.290 -5.040 7.770 1.00 0.00 N ATOM 552 CA GLY A 61 29.090 -4.940 9.230 1.00 0.00 C ATOM 553 C GLY A 61 27.650 -5.290 9.640 1.00 0.00 C ATOM 554 O GLY A 61 27.090 -4.700 10.560 1.00 0.00 O ATOM 0 H GLY A 61 30.083 -5.623 7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 61 29.784 -5.610 9.738 1.00 0.00 H new ATOM 0 HA3 GLY A 61 29.325 -3.928 9.560 1.00 0.00 H new ATOM 556 N ALA A 62 27.070 -6.240 8.920 1.00 0.00 N ATOM 557 CA ALA A 62 25.690 -6.680 9.180 1.00 0.00 C ATOM 558 C ALA A 62 25.810 -7.930 10.060 1.00 0.00 C ATOM 559 O ALA A 62 26.150 -9.010 9.580 1.00 0.00 O ATOM 560 CB ALA A 62 24.970 -6.980 7.860 1.00 0.00 C ATOM 0 H ALA A 62 27.527 -6.726 8.149 1.00 0.00 H new ATOM 0 HA ALA A 62 25.100 -5.912 9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.950 -7.304 8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 62 24.947 -6.080 7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.501 -7.769 7.327 1.00 0.00 H new ATOM 562 N ARG A 63 25.760 -7.670 11.370 1.00 0.00 N ATOM 563 CA ARG A 63 25.790 -8.750 12.390 1.00 0.00 C ATOM 564 C ARG A 63 24.920 -9.960 12.020 1.00 0.00 C ATOM 565 O ARG A 63 25.210 -11.090 12.390 1.00 0.00 O ATOM 566 CB ARG A 63 25.310 -8.220 13.750 1.00 0.00 C ATOM 567 CG ARG A 63 26.490 -7.770 14.610 1.00 0.00 C ATOM 568 CD ARG A 63 26.370 -6.310 15.030 1.00 0.00 C ATOM 569 NE ARG A 63 26.950 -5.420 14.010 1.00 0.00 N ATOM 570 CZ ARG A 63 26.910 -4.080 14.030 1.00 0.00 C ATOM 571 NH1 ARG A 63 26.260 -3.420 14.980 1.00 0.00 N ATOM 572 NH2 ARG A 63 27.520 -3.380 13.090 1.00 0.00 N ATOM 0 H ARG A 63 25.699 -6.729 11.759 1.00 0.00 H new ATOM 0 HA ARG A 63 26.828 -9.078 12.439 1.00 0.00 H new ATOM 0 HB2 ARG A 63 24.627 -7.384 13.598 1.00 0.00 H new ATOM 0 HB3 ARG A 63 24.752 -8.998 14.271 1.00 0.00 H new ATOM 0 HG2 ARG A 63 26.551 -8.398 15.499 1.00 0.00 H new ATOM 0 HG3 ARG A 63 27.417 -7.912 14.055 1.00 0.00 H new ATOM 0 HD2 ARG A 63 25.321 -6.057 15.185 1.00 0.00 H new ATOM 0 HD3 ARG A 63 26.878 -6.158 15.982 1.00 0.00 H new ATOM 0 HE ARG A 63 27.423 -5.861 13.221 1.00 0.00 H new ATOM 0 HH11 ARG A 63 25.776 -3.933 15.717 1.00 0.00 H new ATOM 0 HH12 ARG A 63 26.244 -2.400 14.973 1.00 0.00 H new ATOM 0 HH21 ARG A 63 28.025 -3.859 12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 63 27.486 -2.361 13.110 1.00 0.00 H new ATOM 579 N THR A 64 23.840 -9.660 11.300 1.00 0.00 N ATOM 580 CA THR A 64 22.880 -10.660 10.810 1.00 0.00 C ATOM 581 C THR A 64 22.770 -10.540 9.280 1.00 0.00 C ATOM 582 O THR A 64 23.510 -9.800 8.630 1.00 0.00 O ATOM 583 CB THR A 64 21.530 -10.420 11.510 1.00 0.00 C ATOM 584 OG1 THR A 64 20.960 -9.190 11.030 1.00 0.00 O ATOM 585 CG2 THR A 64 21.640 -10.400 13.040 1.00 0.00 C ATOM 0 H THR A 64 23.600 -8.705 11.035 1.00 0.00 H new ATOM 0 HA THR A 64 23.208 -11.674 11.039 1.00 0.00 H new ATOM 0 HB THR A 64 20.879 -11.259 11.264 1.00 0.00 H new ATOM 0 HG1 THR A 64 20.099 -9.034 11.472 1.00 0.00 H new ATOM 0 HG21 THR A 64 20.655 -10.227 13.473 1.00 0.00 H new ATOM 0 HG22 THR A 64 22.027 -11.357 13.390 1.00 0.00 H new ATOM 0 HG23 THR A 64 22.316 -9.602 13.346 1.00 0.00 H new ATOM 588 N ARG A 65 21.710 -11.140 8.720 1.00 0.00 N ATOM 589 CA ARG A 65 21.360 -11.020 7.290 1.00 0.00 C ATOM 590 C ARG A 65 21.090 -9.580 6.840 1.00 0.00 C ATOM 591 O ARG A 65 21.090 -9.280 5.650 1.00 0.00 O ATOM 592 CB ARG A 65 20.140 -11.900 7.040 1.00 0.00 C ATOM 593 CG ARG A 65 20.490 -12.980 6.020 1.00 0.00 C ATOM 594 CD ARG A 65 19.700 -14.270 6.250 1.00 0.00 C ATOM 595 NE ARG A 65 20.250 -15.010 7.400 1.00 0.00 N ATOM 596 CZ ARG A 65 19.620 -15.980 8.070 1.00 0.00 C ATOM 597 NH1 ARG A 65 18.380 -16.340 7.780 1.00 0.00 N ATOM 598 NH2 ARG A 65 20.240 -16.610 9.060 1.00 0.00 N ATOM 0 H ARG A 65 21.064 -11.728 9.247 1.00 0.00 H new ATOM 0 HA ARG A 65 22.216 -11.346 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 65 19.812 -12.359 7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 65 19.311 -11.295 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 65 20.289 -12.607 5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 65 21.557 -13.195 6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.651 -14.035 6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.739 -14.893 5.356 1.00 0.00 H new ATOM 0 HE ARG A 65 21.189 -14.761 7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.877 -15.873 7.026 1.00 0.00 H new ATOM 0 HH12 ARG A 65 17.928 -17.084 8.311 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.196 -16.354 9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.761 -17.350 9.572 1.00 0.00 H new ATOM 605 N GLY A 66 20.920 -8.700 7.830 1.00 0.00 N ATOM 606 CA GLY A 66 20.650 -7.280 7.620 1.00 0.00 C ATOM 607 C GLY A 66 19.170 -7.120 7.290 1.00 0.00 C ATOM 608 O GLY A 66 18.520 -7.940 6.660 1.00 0.00 O ATOM 0 H GLY A 66 20.967 -8.961 8.815 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.904 -6.709 8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 66 21.265 -6.892 6.808 1.00 0.00 H new ATOM 610 N THR A 67 18.680 -5.990 7.770 1.00 0.00 N ATOM 611 CA THR A 67 17.300 -5.560 7.540 1.00 0.00 C ATOM 612 C THR A 67 17.030 -5.150 6.080 1.00 0.00 C ATOM 613 O THR A 67 15.900 -4.970 5.650 1.00 0.00 O ATOM 614 CB THR A 67 17.000 -4.420 8.520 1.00 0.00 C ATOM 615 OG1 THR A 67 18.000 -3.410 8.360 1.00 0.00 O ATOM 616 CG2 THR A 67 16.930 -4.890 9.980 1.00 0.00 C ATOM 0 H THR A 67 19.226 -5.338 8.333 1.00 0.00 H new ATOM 0 HA THR A 67 16.629 -6.400 7.718 1.00 0.00 H new ATOM 0 HB THR A 67 16.013 -4.021 8.288 1.00 0.00 H new ATOM 0 HG1 THR A 67 17.603 -2.621 7.936 1.00 0.00 H new ATOM 0 HG21 THR A 67 16.715 -4.039 10.626 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.141 -5.634 10.085 1.00 0.00 H new ATOM 0 HG23 THR A 67 17.885 -5.331 10.266 1.00 0.00 H new ATOM 619 N ARG A 68 18.100 -5.140 5.300 1.00 0.00 N ATOM 620 CA ARG A 68 18.110 -4.810 3.860 1.00 0.00 C ATOM 621 C ARG A 68 17.650 -6.020 3.030 1.00 0.00 C ATOM 622 O ARG A 68 18.410 -6.870 2.580 1.00 0.00 O ATOM 623 CB ARG A 68 19.540 -4.420 3.470 1.00 0.00 C ATOM 624 CG ARG A 68 20.270 -3.420 4.380 1.00 0.00 C ATOM 625 CD ARG A 68 19.570 -2.070 4.480 1.00 0.00 C ATOM 626 NE ARG A 68 20.430 -1.000 3.960 1.00 0.00 N ATOM 627 CZ ARG A 68 20.230 0.310 4.130 1.00 0.00 C ATOM 628 NH1 ARG A 68 19.150 0.770 4.750 1.00 0.00 N ATOM 629 NH2 ARG A 68 21.110 1.180 3.660 1.00 0.00 N ATOM 0 H ARG A 68 19.028 -5.369 5.655 1.00 0.00 H new ATOM 0 HA ARG A 68 17.425 -3.985 3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 68 20.137 -5.331 3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.513 -4.003 2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.362 -3.848 5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.282 -3.269 4.004 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.635 -2.097 3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.313 -1.864 5.519 1.00 0.00 H new ATOM 0 HE ARG A 68 21.250 -1.281 3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.451 0.119 5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 68 19.019 1.775 4.868 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.941 0.850 3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.958 2.180 3.790 1.00 0.00 H new ATOM 636 N ARG A 69 16.330 -6.090 2.920 1.00 0.00 N ATOM 637 CA ARG A 69 15.670 -7.170 2.170 1.00 0.00 C ATOM 638 C ARG A 69 15.190 -6.630 0.820 1.00 0.00 C ATOM 639 O ARG A 69 14.770 -5.470 0.710 1.00 0.00 O ATOM 640 CB ARG A 69 14.500 -7.680 3.000 1.00 0.00 C ATOM 641 CG ARG A 69 14.580 -9.160 3.340 1.00 0.00 C ATOM 642 CD ARG A 69 14.360 -10.040 2.110 1.00 0.00 C ATOM 643 NE ARG A 69 13.150 -10.840 2.330 1.00 0.00 N ATOM 644 CZ ARG A 69 13.050 -11.880 3.160 1.00 0.00 C ATOM 645 NH1 ARG A 69 14.020 -12.300 3.940 1.00 0.00 N ATOM 646 NH2 ARG A 69 11.930 -12.550 3.300 1.00 0.00 N ATOM 0 H ARG A 69 15.689 -5.416 3.338 1.00 0.00 H new ATOM 0 HA ARG A 69 16.362 -7.991 1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 69 14.448 -7.107 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 69 13.574 -7.492 2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 69 15.555 -9.380 3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.833 -9.400 4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 69 14.252 -9.425 1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 69 15.221 -10.689 1.948 1.00 0.00 H new ATOM 0 HE ARG A 69 12.315 -10.579 1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.921 -11.822 3.935 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.872 -13.104 4.550 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.104 -12.280 2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.886 -13.341 3.943 1.00 0.00 H new ATOM 653 N ILE A 70 15.320 -7.500 -0.170 1.00 0.00 N ATOM 654 CA ILE A 70 14.930 -7.200 -1.550 1.00 0.00 C ATOM 655 C ILE A 70 13.820 -8.150 -1.980 1.00 0.00 C ATOM 656 O ILE A 70 13.890 -9.360 -1.730 1.00 0.00 O ATOM 657 CB ILE A 70 16.190 -7.250 -2.430 1.00 0.00 C ATOM 658 CG1 ILE A 70 16.920 -5.910 -2.260 1.00 0.00 C ATOM 659 CG2 ILE A 70 15.950 -7.640 -3.890 1.00 0.00 C ATOM 660 CD1 ILE A 70 18.170 -5.730 -3.110 1.00 0.00 C ATOM 0 H ILE A 70 15.700 -8.438 -0.044 1.00 0.00 H new ATOM 0 HA ILE A 70 14.515 -6.197 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 70 16.821 -8.070 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 70 16.224 -5.105 -2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 70 17.196 -5.797 -1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.899 -7.646 -4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 70 15.503 -8.633 -3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 70 15.277 -6.919 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 70 18.606 -4.751 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 70 18.894 -6.507 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 70 17.906 -5.803 -4.165 1.00 0.00 H new ATOM 662 N ILE A 71 12.800 -7.550 -2.570 1.00 0.00 N ATOM 663 CA ILE A 71 11.600 -8.280 -3.000 1.00 0.00 C ATOM 664 C ILE A 71 11.350 -8.000 -4.480 1.00 0.00 C ATOM 665 O ILE A 71 11.100 -6.870 -4.880 1.00 0.00 O ATOM 666 CB ILE A 71 10.370 -7.890 -2.160 1.00 0.00 C ATOM 667 CG1 ILE A 71 10.640 -7.810 -0.640 1.00 0.00 C ATOM 668 CG2 ILE A 71 9.210 -8.840 -2.470 1.00 0.00 C ATOM 669 CD1 ILE A 71 11.180 -9.090 0.020 1.00 0.00 C ATOM 0 H ILE A 71 12.771 -6.550 -2.767 1.00 0.00 H new ATOM 0 HA ILE A 71 11.766 -9.347 -2.850 1.00 0.00 H new ATOM 0 HB ILE A 71 10.103 -6.874 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.352 -7.005 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.712 -7.532 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.342 -8.561 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.959 -8.775 -3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.502 -9.862 -2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.331 -8.914 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.463 -9.900 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 71 12.129 -9.364 -0.440 1.00 0.00 H new ATOM 671 N THR A 72 11.620 -8.980 -5.320 1.00 0.00 N ATOM 672 CA THR A 72 11.420 -8.870 -6.770 1.00 0.00 C ATOM 673 C THR A 72 9.960 -9.140 -7.150 1.00 0.00 C ATOM 674 O THR A 72 9.180 -9.660 -6.360 1.00 0.00 O ATOM 675 CB THR A 72 12.310 -9.850 -7.520 1.00 0.00 C ATOM 676 OG1 THR A 72 12.450 -10.990 -6.680 1.00 0.00 O ATOM 677 CG2 THR A 72 13.650 -9.260 -7.910 1.00 0.00 C ATOM 0 H THR A 72 11.987 -9.884 -5.024 1.00 0.00 H new ATOM 0 HA THR A 72 11.684 -7.850 -7.051 1.00 0.00 H new ATOM 0 HB THR A 72 11.851 -10.118 -8.472 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.399 -11.223 -6.600 1.00 0.00 H new ATOM 0 HG21 THR A 72 14.237 -10.009 -8.441 1.00 0.00 H new ATOM 0 HG22 THR A 72 13.493 -8.397 -8.557 1.00 0.00 H new ATOM 0 HG23 THR A 72 14.186 -8.949 -7.013 1.00 0.00 H new ATOM 680 N GLY A 73 9.660 -8.770 -8.390 1.00 0.00 N ATOM 681 CA GLY A 73 8.340 -8.980 -9.000 1.00 0.00 C ATOM 682 C GLY A 73 8.480 -9.840 -10.250 1.00 0.00 C ATOM 683 O GLY A 73 9.580 -10.020 -10.790 1.00 0.00 O ATOM 0 H GLY A 73 10.327 -8.312 -9.010 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.673 -9.464 -8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.891 -8.020 -9.256 1.00 0.00 H new ATOM 685 N GLU A 74 7.330 -10.240 -10.780 1.00 0.00 N ATOM 686 CA GLU A 74 7.270 -10.990 -12.060 1.00 0.00 C ATOM 687 C GLU A 74 7.750 -10.140 -13.260 1.00 0.00 C ATOM 688 O GLU A 74 8.020 -10.650 -14.350 1.00 0.00 O ATOM 689 CB GLU A 74 5.850 -11.470 -12.300 1.00 0.00 C ATOM 690 CG GLU A 74 5.700 -12.490 -13.440 1.00 0.00 C ATOM 691 CD GLU A 74 5.300 -13.860 -12.880 1.00 0.00 C ATOM 692 OE1 GLU A 74 6.200 -14.550 -12.340 1.00 0.00 O ATOM 693 OE2 GLU A 74 4.100 -14.180 -12.970 1.00 0.00 O ATOM 0 H GLU A 74 6.419 -10.065 -10.355 1.00 0.00 H new ATOM 0 HA GLU A 74 7.945 -11.842 -11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.471 -11.916 -11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.221 -10.607 -12.518 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.947 -12.145 -14.149 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.639 -12.574 -13.988 1.00 0.00 H new ATOM 695 N ALA A 75 7.840 -8.830 -13.020 1.00 0.00 N ATOM 696 CA ALA A 75 8.380 -7.880 -13.990 1.00 0.00 C ATOM 697 C ALA A 75 9.780 -7.470 -13.530 1.00 0.00 C ATOM 698 O ALA A 75 10.020 -7.130 -12.370 1.00 0.00 O ATOM 699 CB ALA A 75 7.460 -6.660 -14.090 1.00 0.00 C ATOM 0 H ALA A 75 7.540 -8.399 -12.146 1.00 0.00 H new ATOM 0 HA ALA A 75 8.441 -8.336 -14.978 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.868 -5.955 -14.815 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.468 -6.978 -14.411 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.388 -6.177 -13.115 1.00 0.00 H new ATOM 701 N THR A 76 10.710 -7.570 -14.480 1.00 0.00 N ATOM 702 CA THR A 76 12.100 -7.120 -14.260 1.00 0.00 C ATOM 703 C THR A 76 12.060 -5.620 -13.980 1.00 0.00 C ATOM 704 O THR A 76 11.240 -4.890 -14.540 1.00 0.00 O ATOM 705 CB THR A 76 12.980 -7.520 -15.470 1.00 0.00 C ATOM 706 OG1 THR A 76 13.250 -8.910 -15.320 1.00 0.00 O ATOM 707 CG2 THR A 76 14.310 -6.780 -15.620 1.00 0.00 C ATOM 0 H THR A 76 10.535 -7.956 -15.408 1.00 0.00 H new ATOM 0 HA THR A 76 12.560 -7.604 -13.399 1.00 0.00 H new ATOM 0 HB THR A 76 12.421 -7.254 -16.367 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.806 -9.218 -16.066 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.834 -7.148 -16.502 1.00 0.00 H new ATOM 0 HG22 THR A 76 14.122 -5.712 -15.729 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.924 -6.952 -14.736 1.00 0.00 H new ATOM 710 N GLN A 77 12.940 -5.220 -13.060 1.00 0.00 N ATOM 711 CA GLN A 77 13.150 -3.830 -12.580 1.00 0.00 C ATOM 712 C GLN A 77 12.050 -3.410 -11.580 1.00 0.00 C ATOM 713 O GLN A 77 11.780 -2.230 -11.350 1.00 0.00 O ATOM 714 CB GLN A 77 13.270 -2.770 -13.700 1.00 0.00 C ATOM 715 CG GLN A 77 13.910 -3.300 -14.990 1.00 0.00 C ATOM 716 CD GLN A 77 14.950 -2.420 -15.650 1.00 0.00 C ATOM 717 OE1 GLN A 77 15.000 -1.210 -15.520 1.00 0.00 O ATOM 718 NE2 GLN A 77 15.790 -3.070 -16.430 1.00 0.00 N ATOM 0 H GLN A 77 13.563 -5.882 -12.598 1.00 0.00 H new ATOM 0 HA GLN A 77 14.119 -3.857 -12.081 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.277 -2.385 -13.930 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.860 -1.931 -13.331 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.371 -4.263 -14.769 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.115 -3.485 -15.712 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.723 -4.084 -16.519 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.507 -2.559 -16.945 1.00 0.00 H new ATOM 722 N GLU A 78 11.540 -4.410 -10.880 1.00 0.00 N ATOM 723 CA GLU A 78 10.520 -4.250 -9.820 1.00 0.00 C ATOM 724 C GLU A 78 10.950 -4.910 -8.510 1.00 0.00 C ATOM 725 O GLU A 78 10.290 -5.780 -7.950 1.00 0.00 O ATOM 726 CB GLU A 78 9.160 -4.750 -10.290 1.00 0.00 C ATOM 727 CG GLU A 78 8.320 -3.600 -10.840 1.00 0.00 C ATOM 728 CD GLU A 78 6.870 -3.790 -10.390 1.00 0.00 C ATOM 729 OE1 GLU A 78 6.180 -4.620 -11.030 1.00 0.00 O ATOM 730 OE2 GLU A 78 6.480 -3.100 -9.420 1.00 0.00 O ATOM 0 H GLU A 78 11.819 -5.380 -11.024 1.00 0.00 H new ATOM 0 HA GLU A 78 10.424 -3.184 -9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.293 -5.510 -11.060 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.636 -5.225 -9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.705 -2.646 -10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.378 -3.577 -11.928 1.00 0.00 H new ATOM 732 N ASP A 79 12.120 -4.470 -8.060 1.00 0.00 N ATOM 733 CA ASP A 79 12.710 -4.940 -6.800 1.00 0.00 C ATOM 734 C ASP A 79 12.440 -3.910 -5.700 1.00 0.00 C ATOM 735 O ASP A 79 12.790 -2.750 -5.860 1.00 0.00 O ATOM 736 CB ASP A 79 14.220 -5.130 -6.950 1.00 0.00 C ATOM 737 CG ASP A 79 14.610 -6.520 -6.490 1.00 0.00 C ATOM 738 OD1 ASP A 79 13.850 -7.090 -5.680 1.00 0.00 O ATOM 739 OD2 ASP A 79 15.650 -6.990 -6.990 1.00 0.00 O ATOM 0 H ASP A 79 12.688 -3.780 -8.552 1.00 0.00 H new ATOM 0 HA ASP A 79 12.259 -5.897 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.512 -4.986 -7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.750 -4.380 -6.363 1.00 0.00 H new ATOM 741 N TYR A 80 11.740 -4.350 -4.670 1.00 0.00 N ATOM 742 CA TYR A 80 11.350 -3.540 -3.500 1.00 0.00 C ATOM 743 C TYR A 80 12.410 -3.700 -2.410 1.00 0.00 C ATOM 744 O TYR A 80 12.930 -4.790 -2.190 1.00 0.00 O ATOM 745 CB TYR A 80 10.000 -4.050 -2.980 1.00 0.00 C ATOM 746 CG TYR A 80 8.960 -4.190 -4.100 1.00 0.00 C ATOM 747 CD1 TYR A 80 8.190 -3.060 -4.440 1.00 0.00 C ATOM 748 CD2 TYR A 80 8.730 -5.440 -4.710 1.00 0.00 C ATOM 749 CE1 TYR A 80 7.160 -3.200 -5.400 1.00 0.00 C ATOM 750 CE2 TYR A 80 7.730 -5.580 -5.680 1.00 0.00 C ATOM 751 CZ TYR A 80 6.940 -4.450 -6.000 1.00 0.00 C ATOM 752 OH TYR A 80 5.940 -4.560 -6.920 1.00 0.00 O ATOM 0 H TYR A 80 11.409 -5.313 -4.610 1.00 0.00 H new ATOM 0 HA TYR A 80 11.267 -2.489 -3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.141 -5.016 -2.495 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.623 -3.365 -2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.383 -2.104 -3.976 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.328 -6.294 -4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.548 -2.352 -5.669 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.565 -6.527 -6.172 1.00 0.00 H new ATOM 0 HH TYR A 80 6.179 -4.054 -7.725 1.00 0.00 H new ATOM 755 N TYR A 81 12.720 -2.590 -1.760 1.00 0.00 N ATOM 756 CA TYR A 81 13.780 -2.530 -0.760 1.00 0.00 C ATOM 757 C TYR A 81 13.190 -2.140 0.590 1.00 0.00 C ATOM 758 O TYR A 81 12.680 -1.050 0.780 1.00 0.00 O ATOM 759 CB TYR A 81 14.800 -1.450 -1.130 1.00 0.00 C ATOM 760 CG TYR A 81 16.100 -1.630 -0.370 1.00 0.00 C ATOM 761 CD1 TYR A 81 17.080 -2.440 -0.980 1.00 0.00 C ATOM 762 CD2 TYR A 81 16.310 -0.970 0.860 1.00 0.00 C ATOM 763 CE1 TYR A 81 18.320 -2.600 -0.340 1.00 0.00 C ATOM 764 CE2 TYR A 81 17.560 -1.120 1.490 1.00 0.00 C ATOM 765 CZ TYR A 81 18.550 -1.910 0.870 1.00 0.00 C ATOM 766 OH TYR A 81 19.830 -1.840 1.290 1.00 0.00 O ATOM 0 H TYR A 81 12.243 -1.701 -1.910 1.00 0.00 H new ATOM 0 HA TYR A 81 14.256 -3.509 -0.716 1.00 0.00 H new ATOM 0 HB2 TYR A 81 14.996 -1.485 -2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.384 -0.466 -0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 81 16.881 -2.929 -1.922 1.00 0.00 H new ATOM 0 HD2 TYR A 81 15.533 -0.367 1.306 1.00 0.00 H new ATOM 0 HE1 TYR A 81 19.081 -3.237 -0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 81 17.758 -0.637 2.435 1.00 0.00 H new ATOM 0 HH TYR A 81 20.102 -0.901 1.354 1.00 0.00 H new ATOM 769 N THR A 82 13.410 -3.030 1.530 1.00 0.00 N ATOM 770 CA THR A 82 12.900 -2.790 2.890 1.00 0.00 C ATOM 771 C THR A 82 13.830 -1.850 3.660 1.00 0.00 C ATOM 772 O THR A 82 13.520 -0.690 3.930 1.00 0.00 O ATOM 773 CB THR A 82 12.500 -4.090 3.650 1.00 0.00 C ATOM 774 OG1 THR A 82 13.460 -4.410 4.650 1.00 0.00 O ATOM 775 CG2 THR A 82 12.220 -5.290 2.760 1.00 0.00 C ATOM 0 H THR A 82 13.920 -3.904 1.401 1.00 0.00 H new ATOM 0 HA THR A 82 11.948 -2.267 2.798 1.00 0.00 H new ATOM 0 HB THR A 82 11.545 -3.860 4.123 1.00 0.00 H new ATOM 0 HG1 THR A 82 14.291 -4.705 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.950 -6.146 3.378 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.398 -5.057 2.083 1.00 0.00 H new ATOM 0 HG23 THR A 82 13.111 -5.528 2.179 1.00 0.00 H new ATOM 778 N GLY A 83 15.040 -2.330 3.890 1.00 0.00 N ATOM 779 CA GLY A 83 16.030 -1.640 4.740 1.00 0.00 C ATOM 780 C GLY A 83 15.660 -1.660 6.240 1.00 0.00 C ATOM 781 O GLY A 83 16.440 -1.210 7.070 1.00 0.00 O ATOM 0 H GLY A 83 15.377 -3.209 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.005 -2.109 4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 83 16.126 -0.606 4.409 1.00 0.00 H new ATOM 783 N ASP A 84 14.470 -2.170 6.540 1.00 0.00 N ATOM 784 CA ASP A 84 13.950 -2.270 7.920 1.00 0.00 C ATOM 785 C ASP A 84 13.490 -3.690 8.310 1.00 0.00 C ATOM 786 O ASP A 84 12.970 -3.900 9.400 1.00 0.00 O ATOM 787 CB ASP A 84 12.790 -1.290 8.100 1.00 0.00 C ATOM 788 CG ASP A 84 13.130 0.190 7.950 1.00 0.00 C ATOM 789 OD1 ASP A 84 14.270 0.580 8.250 1.00 0.00 O ATOM 790 OD2 ASP A 84 12.200 0.920 7.530 1.00 0.00 O ATOM 0 H ASP A 84 13.827 -2.531 5.835 1.00 0.00 H new ATOM 0 HA ASP A 84 14.779 -2.021 8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.015 -1.539 7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.361 -1.445 9.090 1.00 0.00 H new ATOM 792 N HIS A 85 13.740 -4.650 7.410 1.00 0.00 N ATOM 793 CA HIS A 85 13.430 -6.090 7.500 1.00 0.00 C ATOM 794 C HIS A 85 11.920 -6.310 7.490 1.00 0.00 C ATOM 795 O HIS A 85 11.270 -6.280 8.530 1.00 0.00 O ATOM 796 CB HIS A 85 14.050 -6.680 8.770 1.00 0.00 C ATOM 797 CG HIS A 85 13.990 -8.200 8.800 1.00 0.00 C ATOM 798 ND1 HIS A 85 13.070 -8.910 9.430 1.00 0.00 N ATOM 799 CD2 HIS A 85 14.890 -9.010 8.270 1.00 0.00 C ATOM 800 CE1 HIS A 85 13.390 -10.190 9.290 1.00 0.00 C ATOM 801 NE2 HIS A 85 14.510 -10.250 8.580 1.00 0.00 N ATOM 0 H HIS A 85 14.201 -4.426 6.528 1.00 0.00 H new ATOM 0 HA HIS A 85 13.856 -6.597 6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.089 -6.360 8.845 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.530 -6.282 9.642 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.761 -8.724 7.699 1.00 0.00 H new ATOM 0 HE1 HIS A 85 12.839 -11.031 9.683 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.000 -11.105 8.315 1.00 0.00 H new ATOM 805 N TYR A 86 11.390 -6.310 6.260 1.00 0.00 N ATOM 806 CA TYR A 86 9.940 -6.390 6.040 1.00 0.00 C ATOM 807 C TYR A 86 9.140 -5.280 6.720 1.00 0.00 C ATOM 808 O TYR A 86 7.940 -5.360 6.900 1.00 0.00 O ATOM 809 CB TYR A 86 9.450 -7.750 6.550 1.00 0.00 C ATOM 810 CG TYR A 86 9.500 -8.890 5.540 1.00 0.00 C ATOM 811 CD1 TYR A 86 10.210 -8.790 4.320 1.00 0.00 C ATOM 812 CD2 TYR A 86 8.770 -10.040 5.890 1.00 0.00 C ATOM 813 CE1 TYR A 86 10.180 -9.870 3.430 1.00 0.00 C ATOM 814 CE2 TYR A 86 8.740 -11.130 5.010 1.00 0.00 C ATOM 815 CZ TYR A 86 9.440 -11.020 3.790 1.00 0.00 C ATOM 816 OH TYR A 86 9.350 -12.040 2.910 1.00 0.00 O ATOM 0 H TYR A 86 11.942 -6.256 5.404 1.00 0.00 H new ATOM 0 HA TYR A 86 9.774 -6.267 4.970 1.00 0.00 H new ATOM 0 HB2 TYR A 86 10.049 -8.030 7.417 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.422 -7.639 6.895 1.00 0.00 H new ATOM 0 HD1 TYR A 86 10.766 -7.896 4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 86 8.237 -10.083 6.829 1.00 0.00 H new ATOM 0 HE1 TYR A 86 10.710 -9.826 2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 86 8.196 -12.029 5.259 1.00 0.00 H new ATOM 0 HH TYR A 86 8.829 -11.755 2.130 1.00 0.00 H new ATOM 819 N ALA A 87 9.820 -4.210 7.100 1.00 0.00 N ATOM 820 CA ALA A 87 9.120 -3.110 7.770 1.00 0.00 C ATOM 821 C ALA A 87 8.800 -1.950 6.820 1.00 0.00 C ATOM 822 O ALA A 87 8.000 -1.080 7.170 1.00 0.00 O ATOM 823 CB ALA A 87 9.870 -2.670 9.030 1.00 0.00 C ATOM 0 H ALA A 87 10.822 -4.074 6.965 1.00 0.00 H new ATOM 0 HA ALA A 87 8.150 -3.486 8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.330 -1.853 9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.944 -3.510 9.721 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.871 -2.334 8.759 1.00 0.00 H new ATOM 825 N THR A 88 9.260 -2.080 5.580 1.00 0.00 N ATOM 826 CA THR A 88 9.140 -1.080 4.500 1.00 0.00 C ATOM 827 C THR A 88 9.520 -1.730 3.170 1.00 0.00 C ATOM 828 O THR A 88 9.870 -2.900 3.160 1.00 0.00 O ATOM 829 CB THR A 88 10.080 0.100 4.760 1.00 0.00 C ATOM 830 OG1 THR A 88 11.290 -0.430 5.300 1.00 0.00 O ATOM 831 CG2 THR A 88 9.460 1.170 5.660 1.00 0.00 C ATOM 0 H THR A 88 9.751 -2.921 5.276 1.00 0.00 H new ATOM 0 HA THR A 88 8.112 -0.719 4.466 1.00 0.00 H new ATOM 0 HB THR A 88 10.282 0.620 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.022 -0.286 4.665 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.174 1.980 5.807 1.00 0.00 H new ATOM 0 HG22 THR A 88 8.558 1.562 5.190 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.205 0.731 6.625 1.00 0.00 H new ATOM 834 N PHE A 89 9.250 -1.040 2.060 1.00 0.00 N ATOM 835 CA PHE A 89 9.430 -1.570 0.690 1.00 0.00 C ATOM 836 C PHE A 89 9.500 -0.400 -0.290 1.00 0.00 C ATOM 837 O PHE A 89 8.560 0.400 -0.390 1.00 0.00 O ATOM 838 CB PHE A 89 8.260 -2.480 0.270 1.00 0.00 C ATOM 839 CG PHE A 89 8.020 -3.670 1.200 1.00 0.00 C ATOM 840 CD1 PHE A 89 8.680 -4.900 0.990 1.00 0.00 C ATOM 841 CD2 PHE A 89 7.170 -3.510 2.330 1.00 0.00 C ATOM 842 CE1 PHE A 89 8.500 -5.960 1.900 1.00 0.00 C ATOM 843 CE2 PHE A 89 7.010 -4.550 3.260 1.00 0.00 C ATOM 844 CZ PHE A 89 7.670 -5.770 3.030 1.00 0.00 C ATOM 0 H PHE A 89 8.895 -0.084 2.078 1.00 0.00 H new ATOM 0 HA PHE A 89 10.349 -2.156 0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.350 -1.882 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.449 -2.853 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.323 -5.028 0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.642 -2.579 2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.991 -6.908 1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.392 -4.415 4.135 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.540 -6.581 3.732 1.00 0.00 H new ATOM 846 N SER A 90 10.690 -0.210 -0.810 1.00 0.00 N ATOM 847 CA SER A 90 11.000 0.910 -1.710 1.00 0.00 C ATOM 848 C SER A 90 11.660 0.390 -2.980 1.00 0.00 C ATOM 849 O SER A 90 12.760 -0.150 -2.920 1.00 0.00 O ATOM 850 CB SER A 90 11.950 1.930 -1.070 1.00 0.00 C ATOM 851 OG SER A 90 11.570 2.200 0.280 1.00 0.00 O ATOM 0 H SER A 90 11.484 -0.824 -0.628 1.00 0.00 H new ATOM 0 HA SER A 90 10.053 1.403 -1.930 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.971 1.549 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.940 2.855 -1.647 1.00 0.00 H new ATOM 0 HG SER A 90 12.190 2.851 0.670 1.00 0.00 H new ATOM 854 N LEU A 91 10.930 0.430 -4.090 1.00 0.00 N ATOM 855 CA LEU A 91 11.460 -0.030 -5.400 1.00 0.00 C ATOM 856 C LEU A 91 12.900 0.430 -5.660 1.00 0.00 C ATOM 857 O LEU A 91 13.390 1.360 -5.040 1.00 0.00 O ATOM 858 CB LEU A 91 10.560 0.420 -6.560 1.00 0.00 C ATOM 859 CG LEU A 91 9.360 -0.500 -6.760 1.00 0.00 C ATOM 860 CD1 LEU A 91 8.430 0.050 -7.840 1.00 0.00 C ATOM 861 CD2 LEU A 91 9.820 -1.890 -7.180 1.00 0.00 C ATOM 0 H LEU A 91 9.970 0.773 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 91 11.465 -1.119 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.208 1.434 -6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.146 0.452 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 91 8.826 -0.556 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.581 -0.622 -7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.072 1.036 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.973 0.129 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.952 -2.534 -7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.375 -1.822 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 91 10.463 -2.310 -6.407 1.00 0.00 H new ATOM 863 N ILE A 92 13.600 -0.210 -6.580 1.00 0.00 N ATOM 864 CA ILE A 92 14.990 0.170 -6.900 1.00 0.00 C ATOM 865 C ILE A 92 15.010 0.860 -8.260 1.00 0.00 C ATOM 866 O ILE A 92 14.610 0.300 -9.280 1.00 0.00 O ATOM 867 CB ILE A 92 15.920 -1.060 -6.770 1.00 0.00 C ATOM 868 CG1 ILE A 92 16.320 -1.290 -5.310 1.00 0.00 C ATOM 869 CG2 ILE A 92 17.220 -0.950 -7.580 1.00 0.00 C ATOM 870 CD1 ILE A 92 15.360 -2.160 -4.510 1.00 0.00 C ATOM 0 H ILE A 92 13.242 -0.995 -7.124 1.00 0.00 H new ATOM 0 HA ILE A 92 15.385 0.894 -6.187 1.00 0.00 H new ATOM 0 HB ILE A 92 15.333 -1.889 -7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 92 17.308 -1.750 -5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 92 16.407 -0.322 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 92 17.816 -1.851 -7.436 1.00 0.00 H new ATOM 0 HG22 ILE A 92 16.981 -0.838 -8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 92 17.787 -0.082 -7.242 1.00 0.00 H new ATOM 0 HD11 ILE A 92 15.728 -2.265 -3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 92 14.374 -1.695 -4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 92 15.289 -3.144 -4.973 1.00 0.00 H new ATOM 872 N ASP A 93 15.650 2.020 -8.260 1.00 0.00 N ATOM 873 CA ASP A 93 15.810 2.830 -9.470 1.00 0.00 C ATOM 874 C ASP A 93 17.250 2.660 -9.980 1.00 0.00 C ATOM 875 O ASP A 93 18.130 3.440 -9.620 1.00 0.00 O ATOM 876 CB ASP A 93 15.480 4.290 -9.150 1.00 0.00 C ATOM 877 CG ASP A 93 14.430 4.870 -10.100 1.00 0.00 C ATOM 878 OD1 ASP A 93 13.390 4.210 -10.290 1.00 0.00 O ATOM 879 OD2 ASP A 93 14.730 5.950 -10.650 1.00 0.00 O ATOM 0 H ASP A 93 16.073 2.430 -7.427 1.00 0.00 H new ATOM 0 HA ASP A 93 15.127 2.506 -10.255 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.118 4.362 -8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 93 16.390 4.887 -9.209 1.00 0.00 H new ATOM 881 N GLN A 94 17.400 1.720 -10.900 1.00 0.00 N ATOM 882 CA GLN A 94 18.700 1.420 -11.540 1.00 0.00 C ATOM 883 C GLN A 94 19.180 2.560 -12.470 1.00 0.00 C ATOM 884 O GLN A 94 20.320 2.580 -12.930 1.00 0.00 O ATOM 885 CB GLN A 94 18.650 0.110 -12.330 1.00 0.00 C ATOM 886 CG GLN A 94 18.090 -1.070 -11.520 1.00 0.00 C ATOM 887 CD GLN A 94 16.770 -1.520 -12.160 1.00 0.00 C ATOM 888 OE1 GLN A 94 16.740 -2.090 -13.240 1.00 0.00 O ATOM 889 NE2 GLN A 94 15.650 -1.250 -11.520 1.00 0.00 N ATOM 0 H GLN A 94 16.633 1.136 -11.233 1.00 0.00 H new ATOM 0 HA GLN A 94 19.416 1.320 -10.724 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.037 0.254 -13.220 1.00 0.00 H new ATOM 0 HB3 GLN A 94 19.655 -0.138 -12.672 1.00 0.00 H new ATOM 0 HG2 GLN A 94 18.804 -1.893 -11.507 1.00 0.00 H new ATOM 0 HG3 GLN A 94 17.927 -0.774 -10.484 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.680 -0.774 -10.618 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.753 -1.517 -11.926 1.00 0.00 H new ATOM 893 N THR A 95 18.280 3.510 -12.670 1.00 0.00 N ATOM 894 CA THR A 95 18.450 4.750 -13.460 1.00 0.00 C ATOM 895 C THR A 95 18.900 5.950 -12.610 1.00 0.00 C ATOM 896 O THR A 95 19.800 6.690 -12.970 1.00 0.00 O ATOM 897 CB THR A 95 17.170 5.080 -14.260 1.00 0.00 C ATOM 898 OG1 THR A 95 17.260 6.420 -14.760 1.00 0.00 O ATOM 899 CG2 THR A 95 15.860 4.910 -13.490 1.00 0.00 C ATOM 0 H THR A 95 17.346 3.445 -12.265 1.00 0.00 H new ATOM 0 HA THR A 95 19.258 4.556 -14.166 1.00 0.00 H new ATOM 0 HB THR A 95 17.129 4.348 -15.067 1.00 0.00 H new ATOM 0 HG1 THR A 95 16.451 6.634 -15.270 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.021 5.166 -14.138 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.763 3.875 -13.162 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.861 5.568 -12.621 1.00 0.00 H new ATOM 902 N CYS A 96 18.300 6.070 -11.430 1.00 0.00 N ATOM 903 CA CYS A 96 18.640 7.160 -10.510 1.00 0.00 C ATOM 904 C CYS A 96 19.890 6.810 -9.680 1.00 0.00 C ATOM 905 O CYS A 96 20.850 7.610 -9.710 1.00 0.00 O ATOM 906 CB CYS A 96 17.400 7.470 -9.650 1.00 0.00 C ATOM 907 SG CYS A 96 17.620 8.870 -8.500 1.00 0.00 S ATOM 908 OXT CYS A 96 19.900 5.720 -9.060 1.00 0.00 O ATOM 0 H CYS A 96 17.581 5.433 -11.086 1.00 0.00 H new ATOM 0 HA CYS A 96 18.905 8.063 -11.061 1.00 0.00 H new ATOM 0 HB2 CYS A 96 16.559 7.684 -10.309 1.00 0.00 H new ATOM 0 HB3 CYS A 96 17.138 6.581 -9.077 1.00 0.00 H new TER 910 CYS A 96