USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 153 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 GLN : amide:sc= 0.0315 K(o=-0.71,f=-3.8) USER MOD Set 1.2: A 94 GLN : amide:sc= -0.744 K(o=-0.71,f=-2.5!) USER MOD Set 2.1: A 52 TYR OH : rot -133:sc= -1.45! USER MOD Set 2.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 32 GLN : amide:sc= -5.23! C(o=-6.5!,f=-13!) USER MOD Set 3.2: A 56 THR OG1 : rot 149:sc= -1.22 USER MOD Single : A 3 SER OG : rot -34:sc= 0.451 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= -0.372 USER MOD Single : A 18 THR OG1 : rot -144:sc= -2.29! USER MOD Single : A 20 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.32) 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= -0.205 K(o=-0.2,f=0.54) USER MOD Single : A 39 ASN : amide:sc= -1.56 K(o=-1.6,f=-6.3!) USER MOD Single : A 42 SER OG : rot -45:sc= 0.405 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= -0.943 K(o=-0.94,f=-2.1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 7:sc= -0.458 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00115 USER MOD Single : A 67 THR OG1 : rot 118:sc= 0.762 USER MOD Single : A 72 THR OG1 : rot -148:sc= 0.806 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.888 USER MOD Single : A 82 THR OG1 : rot 76:sc= 0.285 USER MOD Single : A 85 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.0085) USER MOD Single : A 86 TYR OH : rot -126:sc= 1.71 USER MOD Single : A 88 THR OG1 : rot 78:sc= 0.108 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 12 N VAL A 2 1.630 -0.260 -3.570 1.00 0.00 N ATOM 13 CA VAL A 2 0.880 -0.590 -4.800 1.00 0.00 C ATOM 14 C VAL A 2 -0.030 -1.800 -4.550 1.00 0.00 C ATOM 15 O VAL A 2 0.370 -2.760 -3.900 1.00 0.00 O ATOM 16 CB VAL A 2 1.860 -0.930 -5.930 1.00 0.00 C ATOM 17 CG1 VAL A 2 1.170 -1.010 -7.290 1.00 0.00 C ATOM 18 CG2 VAL A 2 2.880 0.170 -6.090 1.00 0.00 C ATOM 0 HA VAL A 2 0.275 0.271 -5.083 1.00 0.00 H new ATOM 0 HB VAL A 2 2.302 -1.887 -5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.905 -1.253 -8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.403 -1.784 -7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.709 -0.050 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.568 -0.086 -6.896 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.373 1.105 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.437 0.288 -5.161 1.00 0.00 H new ATOM 20 N SER A 3 -1.230 -1.720 -5.110 1.00 0.00 N ATOM 21 CA SER A 3 -2.220 -2.800 -4.980 1.00 0.00 C ATOM 22 C SER A 3 -1.950 -3.970 -5.960 1.00 0.00 C ATOM 23 O SER A 3 -2.680 -4.960 -6.020 1.00 0.00 O ATOM 24 CB SER A 3 -3.630 -2.230 -5.180 1.00 0.00 C ATOM 25 OG SER A 3 -4.620 -3.240 -4.980 1.00 0.00 O ATOM 0 H SER A 3 -1.548 -0.922 -5.660 1.00 0.00 H new ATOM 0 HA SER A 3 -2.135 -3.214 -3.975 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.797 -1.408 -4.483 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.722 -1.819 -6.185 1.00 0.00 H new ATOM 0 HG SER A 3 -4.271 -4.104 -5.283 1.00 0.00 H new ATOM 28 N GLY A 4 -0.840 -3.860 -6.670 1.00 0.00 N ATOM 29 CA GLY A 4 -0.400 -4.870 -7.650 1.00 0.00 C ATOM 30 C GLY A 4 -0.070 -4.180 -8.970 1.00 0.00 C ATOM 31 O GLY A 4 -0.070 -2.970 -9.080 1.00 0.00 O ATOM 0 H GLY A 4 -0.206 -3.065 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.475 -5.401 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.183 -5.613 -7.800 1.00 0.00 H new ATOM 33 N THR A 5 0.410 -4.980 -9.900 1.00 0.00 N ATOM 34 CA THR A 5 0.850 -4.490 -11.220 1.00 0.00 C ATOM 35 C THR A 5 -0.320 -4.590 -12.210 1.00 0.00 C ATOM 36 O THR A 5 -1.410 -5.050 -11.880 1.00 0.00 O ATOM 37 CB THR A 5 2.080 -5.320 -11.630 1.00 0.00 C ATOM 38 OG1 THR A 5 2.920 -5.470 -10.480 1.00 0.00 O ATOM 39 CG2 THR A 5 2.940 -4.660 -12.710 1.00 0.00 C ATOM 0 H THR A 5 0.512 -5.987 -9.777 1.00 0.00 H new ATOM 0 HA THR A 5 1.143 -3.440 -11.202 1.00 0.00 H new ATOM 0 HB THR A 5 1.700 -6.262 -12.026 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.710 -5.998 -10.719 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.787 -5.305 -12.945 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.341 -4.505 -13.608 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.305 -3.699 -12.347 1.00 0.00 H new ATOM 42 N VAL A 6 -0.110 -4.050 -13.400 1.00 0.00 N ATOM 43 CA VAL A 6 -1.120 -3.960 -14.450 1.00 0.00 C ATOM 44 C VAL A 6 -0.460 -4.320 -15.780 1.00 0.00 C ATOM 45 O VAL A 6 0.530 -3.710 -16.210 1.00 0.00 O ATOM 46 CB VAL A 6 -1.810 -2.580 -14.410 1.00 0.00 C ATOM 47 CG1 VAL A 6 -1.140 -1.450 -15.190 1.00 0.00 C ATOM 48 CG2 VAL A 6 -3.270 -2.730 -14.850 1.00 0.00 C ATOM 0 H VAL A 6 0.789 -3.652 -13.672 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.930 -4.674 -14.300 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.725 -2.262 -13.371 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.724 -0.536 -15.080 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.134 -1.287 -14.803 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.083 -1.720 -16.245 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.760 -1.757 -14.823 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.305 -3.126 -15.865 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.785 -3.414 -14.176 1.00 0.00 H new ATOM 50 N CYS A 7 -0.840 -5.500 -16.250 1.00 0.00 N ATOM 51 CA CYS A 7 -0.370 -5.980 -17.550 1.00 0.00 C ATOM 52 C CYS A 7 -0.490 -4.870 -18.590 1.00 0.00 C ATOM 53 O CYS A 7 -1.510 -4.190 -18.670 1.00 0.00 O ATOM 54 CB CYS A 7 -1.190 -7.190 -17.990 1.00 0.00 C ATOM 55 SG CYS A 7 -1.000 -8.610 -16.850 1.00 0.00 S ATOM 0 H CYS A 7 -1.465 -6.139 -15.760 1.00 0.00 H new ATOM 0 HA CYS A 7 0.676 -6.273 -17.459 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.242 -6.911 -18.048 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.884 -7.488 -18.993 1.00 0.00 H new ATOM 57 N LEU A 8 0.610 -4.590 -19.270 1.00 0.00 N ATOM 58 CA LEU A 8 0.650 -3.590 -20.340 1.00 0.00 C ATOM 59 C LEU A 8 -0.400 -3.870 -21.420 1.00 0.00 C ATOM 60 O LEU A 8 -1.050 -2.930 -21.870 1.00 0.00 O ATOM 61 CB LEU A 8 2.020 -3.540 -21.030 1.00 0.00 C ATOM 62 CG LEU A 8 2.590 -2.120 -21.240 1.00 0.00 C ATOM 63 CD1 LEU A 8 3.360 -2.140 -22.560 1.00 0.00 C ATOM 64 CD2 LEU A 8 1.570 -0.980 -21.300 1.00 0.00 C ATOM 0 H LEU A 8 1.506 -5.047 -19.100 1.00 0.00 H new ATOM 0 HA LEU A 8 0.444 -2.636 -19.854 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.730 -4.117 -20.438 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.940 -4.031 -22.000 1.00 0.00 H new ATOM 0 HG LEU A 8 3.199 -1.905 -20.362 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.782 -1.153 -22.750 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.164 -2.873 -22.501 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.684 -2.408 -23.372 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.090 -0.034 -21.450 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.882 -1.151 -22.128 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.011 -0.942 -20.365 1.00 0.00 H new ATOM 66 N SER A 9 -0.670 -5.150 -21.680 1.00 0.00 N ATOM 67 CA SER A 9 -1.750 -5.560 -22.600 1.00 0.00 C ATOM 68 C SER A 9 -3.140 -5.160 -22.080 1.00 0.00 C ATOM 69 O SER A 9 -4.050 -4.860 -22.860 1.00 0.00 O ATOM 70 CB SER A 9 -1.720 -7.080 -22.830 1.00 0.00 C ATOM 71 OG SER A 9 -2.660 -7.450 -23.830 1.00 0.00 O ATOM 0 H SER A 9 -0.157 -5.929 -21.268 1.00 0.00 H new ATOM 0 HA SER A 9 -1.572 -5.038 -23.540 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.719 -7.389 -23.131 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.947 -7.599 -21.899 1.00 0.00 H new ATOM 0 HG SER A 9 -2.628 -8.420 -23.966 1.00 0.00 H new ATOM 74 N ALA A 10 -3.270 -5.100 -20.760 1.00 0.00 N ATOM 75 CA ALA A 10 -4.490 -4.620 -20.070 1.00 0.00 C ATOM 76 C ALA A 10 -4.610 -3.080 -20.130 1.00 0.00 C ATOM 77 O ALA A 10 -5.690 -2.520 -19.990 1.00 0.00 O ATOM 78 CB ALA A 10 -4.470 -5.090 -18.620 1.00 0.00 C ATOM 0 H ALA A 10 -2.529 -5.384 -20.119 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.358 -5.036 -20.581 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.367 -4.738 -18.111 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.440 -6.179 -18.591 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.588 -4.690 -18.120 1.00 0.00 H new ATOM 80 N LEU A 11 -3.470 -2.430 -20.320 1.00 0.00 N ATOM 81 CA LEU A 11 -3.400 -0.980 -20.470 1.00 0.00 C ATOM 82 C LEU A 11 -3.670 -0.490 -21.900 1.00 0.00 C ATOM 83 O LEU A 11 -3.720 -1.310 -22.820 1.00 0.00 O ATOM 84 CB LEU A 11 -2.040 -0.530 -19.960 1.00 0.00 C ATOM 85 CG LEU A 11 -2.050 -0.300 -18.460 1.00 0.00 C ATOM 86 CD1 LEU A 11 -0.760 0.450 -18.210 1.00 0.00 C ATOM 87 CD2 LEU A 11 -3.190 0.590 -17.940 1.00 0.00 C ATOM 0 H LEU A 11 -2.563 -2.894 -20.375 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.199 -0.529 -19.882 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.291 -1.283 -20.208 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.747 0.389 -20.467 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.172 -1.259 -17.956 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.666 0.669 -17.146 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.084 -0.161 -18.531 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.767 1.383 -18.773 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.107 0.692 -16.858 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.123 1.574 -18.403 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.149 0.136 -18.190 1.00 0.00 H new ATOM 89 N PRO A 12 -3.940 0.820 -22.090 1.00 0.00 N ATOM 90 CA PRO A 12 -4.240 1.380 -23.420 1.00 0.00 C ATOM 91 C PRO A 12 -3.000 1.380 -24.340 1.00 0.00 C ATOM 92 O PRO A 12 -1.880 1.140 -23.870 1.00 0.00 O ATOM 93 CB PRO A 12 -4.810 2.770 -23.100 1.00 0.00 C ATOM 94 CG PRO A 12 -4.180 3.200 -21.790 1.00 0.00 C ATOM 95 CD PRO A 12 -4.070 1.870 -21.050 1.00 0.00 C ATOM 0 HA PRO A 12 -4.953 0.791 -23.997 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.575 3.478 -23.895 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.896 2.734 -23.015 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.207 3.668 -21.938 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.801 3.917 -21.253 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.207 1.866 -20.385 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.950 1.696 -20.431 1.00 0.00 H new ATOM 96 N PRO A 13 -3.160 1.710 -25.630 1.00 0.00 N ATOM 97 CA PRO A 13 -2.030 1.820 -26.580 1.00 0.00 C ATOM 98 C PRO A 13 -1.130 3.030 -26.290 1.00 0.00 C ATOM 99 O PRO A 13 0.050 3.060 -26.640 1.00 0.00 O ATOM 100 CB PRO A 13 -2.670 1.900 -27.960 1.00 0.00 C ATOM 101 CG PRO A 13 -4.050 2.500 -27.720 1.00 0.00 C ATOM 102 CD PRO A 13 -4.440 2.020 -26.320 1.00 0.00 C ATOM 0 HA PRO A 13 -1.362 0.963 -26.496 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.080 2.523 -28.633 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.743 0.914 -28.419 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.024 3.588 -27.773 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.766 2.161 -28.469 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.998 2.788 -25.784 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.080 1.139 -26.372 1.00 0.00 H new ATOM 103 N GLU A 14 -1.680 3.980 -25.530 1.00 0.00 N ATOM 104 CA GLU A 14 -0.930 5.150 -25.090 1.00 0.00 C ATOM 105 C GLU A 14 -0.140 4.870 -23.800 1.00 0.00 C ATOM 106 O GLU A 14 0.870 5.520 -23.560 1.00 0.00 O ATOM 107 CB GLU A 14 -1.870 6.340 -24.900 1.00 0.00 C ATOM 108 CG GLU A 14 -1.000 7.540 -24.560 1.00 0.00 C ATOM 109 CD GLU A 14 -0.390 8.260 -25.750 1.00 0.00 C ATOM 110 OE1 GLU A 14 -0.830 8.020 -26.900 1.00 0.00 O ATOM 111 OE2 GLU A 14 0.430 9.160 -25.460 1.00 0.00 O ATOM 0 H GLU A 14 -2.647 3.958 -25.207 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.205 5.392 -25.867 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.446 6.525 -25.806 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.586 6.143 -24.102 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.599 8.253 -23.994 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.194 7.209 -23.905 1.00 0.00 H new ATOM 113 N ALA A 15 -0.570 3.910 -23.000 1.00 0.00 N ATOM 114 CA ALA A 15 0.150 3.530 -21.770 1.00 0.00 C ATOM 115 C ALA A 15 1.660 3.330 -22.000 1.00 0.00 C ATOM 116 O ALA A 15 2.480 3.970 -21.340 1.00 0.00 O ATOM 117 CB ALA A 15 -0.450 2.270 -21.190 1.00 0.00 C ATOM 0 H ALA A 15 -1.418 3.369 -23.171 1.00 0.00 H new ATOM 0 HA ALA A 15 0.039 4.357 -21.068 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.087 1.996 -20.282 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.500 2.443 -20.953 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.371 1.461 -21.917 1.00 0.00 H new ATOM 119 N THR A 16 1.950 2.730 -23.150 1.00 0.00 N ATOM 120 CA THR A 16 3.330 2.550 -23.630 1.00 0.00 C ATOM 121 C THR A 16 4.010 3.860 -24.020 1.00 0.00 C ATOM 122 O THR A 16 5.210 4.010 -23.850 1.00 0.00 O ATOM 123 CB THR A 16 3.380 1.480 -24.740 1.00 0.00 C ATOM 124 OG1 THR A 16 4.360 0.540 -24.300 1.00 0.00 O ATOM 125 CG2 THR A 16 3.720 1.950 -26.170 1.00 0.00 C ATOM 0 H THR A 16 1.242 2.353 -23.780 1.00 0.00 H new ATOM 0 HA THR A 16 3.923 2.180 -22.793 1.00 0.00 H new ATOM 0 HB THR A 16 2.370 1.088 -24.857 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.446 -0.178 -24.962 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.720 1.094 -26.844 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.975 2.673 -26.502 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.706 2.415 -26.175 1.00 0.00 H new ATOM 128 N ASP A 17 3.230 4.770 -24.610 1.00 0.00 N ATOM 129 CA ASP A 17 3.710 6.100 -25.060 1.00 0.00 C ATOM 130 C ASP A 17 4.440 6.800 -23.930 1.00 0.00 C ATOM 131 O ASP A 17 5.630 7.050 -24.070 1.00 0.00 O ATOM 132 CB ASP A 17 2.530 6.980 -25.470 1.00 0.00 C ATOM 133 CG ASP A 17 2.900 8.210 -26.300 1.00 0.00 C ATOM 134 OD1 ASP A 17 3.310 9.220 -25.700 1.00 0.00 O ATOM 135 OD2 ASP A 17 2.630 8.100 -27.510 1.00 0.00 O ATOM 0 H ASP A 17 2.239 4.613 -24.795 1.00 0.00 H new ATOM 0 HA ASP A 17 4.378 5.947 -25.908 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.825 6.374 -26.040 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.012 7.310 -24.570 1.00 0.00 H new ATOM 137 N THR A 18 3.800 6.950 -22.770 1.00 0.00 N ATOM 138 CA THR A 18 4.460 7.540 -21.610 1.00 0.00 C ATOM 139 C THR A 18 5.720 6.780 -21.200 1.00 0.00 C ATOM 140 O THR A 18 6.780 7.380 -21.070 1.00 0.00 O ATOM 141 CB THR A 18 3.470 7.690 -20.480 1.00 0.00 C ATOM 142 OG1 THR A 18 2.550 8.720 -20.820 1.00 0.00 O ATOM 143 CG2 THR A 18 4.110 8.050 -19.160 1.00 0.00 C ATOM 0 H THR A 18 2.831 6.672 -22.611 1.00 0.00 H new ATOM 0 HA THR A 18 4.811 8.535 -21.885 1.00 0.00 H new ATOM 0 HB THR A 18 2.985 6.722 -20.353 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.311 9.224 -20.014 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.339 8.141 -18.395 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.816 7.270 -18.873 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.638 8.999 -19.258 1.00 0.00 H new ATOM 146 N LEU A 19 5.600 5.470 -21.050 1.00 0.00 N ATOM 147 CA LEU A 19 6.760 4.610 -20.770 1.00 0.00 C ATOM 148 C LEU A 19 7.920 4.790 -21.750 1.00 0.00 C ATOM 149 O LEU A 19 9.070 4.810 -21.350 1.00 0.00 O ATOM 150 CB LEU A 19 6.330 3.150 -20.760 1.00 0.00 C ATOM 151 CG LEU A 19 5.200 2.890 -19.770 1.00 0.00 C ATOM 152 CD1 LEU A 19 4.950 1.390 -19.730 1.00 0.00 C ATOM 153 CD2 LEU A 19 5.590 3.380 -18.380 1.00 0.00 C ATOM 0 H LEU A 19 4.713 4.970 -21.116 1.00 0.00 H new ATOM 0 HA LEU A 19 7.131 4.915 -19.791 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.008 2.861 -21.760 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.185 2.523 -20.506 1.00 0.00 H new ATOM 0 HG LEU A 19 4.302 3.423 -20.081 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.145 1.174 -19.028 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.669 1.041 -20.724 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.857 0.878 -19.409 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.773 3.188 -17.684 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.484 2.853 -18.046 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.792 4.450 -18.415 1.00 0.00 H new ATOM 155 N ASN A 20 7.550 5.140 -22.970 1.00 0.00 N ATOM 156 CA ASN A 20 8.490 5.460 -24.050 1.00 0.00 C ATOM 157 C ASN A 20 9.090 6.840 -23.830 1.00 0.00 C ATOM 158 O ASN A 20 10.280 7.000 -23.970 1.00 0.00 O ATOM 159 CB ASN A 20 7.770 5.510 -25.390 1.00 0.00 C ATOM 160 CG ASN A 20 8.490 4.670 -26.430 1.00 0.00 C ATOM 161 OD1 ASN A 20 9.700 4.520 -26.460 1.00 0.00 O ATOM 162 ND2 ASN A 20 7.680 4.100 -27.290 1.00 0.00 N ATOM 0 H ASN A 20 6.572 5.213 -23.251 1.00 0.00 H new ATOM 0 HA ASN A 20 9.259 4.688 -24.050 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.748 5.149 -25.271 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.706 6.543 -25.733 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.056 3.501 -28.025 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.674 4.256 -27.224 1.00 0.00 H new ATOM 166 N LEU A 21 8.300 7.780 -23.360 1.00 0.00 N ATOM 167 CA LEU A 21 8.780 9.110 -23.030 1.00 0.00 C ATOM 168 C LEU A 21 9.650 9.070 -21.770 1.00 0.00 C ATOM 169 O LEU A 21 10.580 9.850 -21.670 1.00 0.00 O ATOM 170 CB LEU A 21 7.540 9.950 -22.780 1.00 0.00 C ATOM 171 CG LEU A 21 6.450 10.000 -23.840 1.00 0.00 C ATOM 172 CD1 LEU A 21 5.180 10.600 -23.230 1.00 0.00 C ATOM 173 CD2 LEU A 21 6.880 10.750 -25.090 1.00 0.00 C ATOM 0 H LEU A 21 7.303 7.646 -23.194 1.00 0.00 H new ATOM 0 HA LEU A 21 9.392 9.521 -23.833 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.083 9.594 -21.857 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.868 10.973 -22.599 1.00 0.00 H new ATOM 0 HG LEU A 21 6.246 8.980 -24.166 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.396 10.638 -23.986 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.850 9.981 -22.396 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.389 11.609 -22.873 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.063 10.754 -25.811 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.137 11.776 -24.828 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.749 10.259 -25.528 1.00 0.00 H new ATOM 175 N ILE A 22 9.400 8.190 -20.810 1.00 0.00 N ATOM 176 CA ILE A 22 10.300 8.000 -19.650 1.00 0.00 C ATOM 177 C ILE A 22 11.620 7.320 -20.060 1.00 0.00 C ATOM 178 O ILE A 22 12.690 7.670 -19.570 1.00 0.00 O ATOM 179 CB ILE A 22 9.570 7.240 -18.530 1.00 0.00 C ATOM 180 CG1 ILE A 22 8.620 8.220 -17.880 1.00 0.00 C ATOM 181 CG2 ILE A 22 10.470 6.620 -17.450 1.00 0.00 C ATOM 182 CD1 ILE A 22 7.200 7.800 -18.160 1.00 0.00 C ATOM 0 H ILE A 22 8.578 7.586 -20.800 1.00 0.00 H new ATOM 0 HA ILE A 22 10.574 8.980 -19.260 1.00 0.00 H new ATOM 0 HB ILE A 22 9.073 6.389 -18.996 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.795 8.255 -16.805 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.797 9.224 -18.265 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.853 6.109 -16.711 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.151 5.905 -17.911 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.046 7.406 -16.961 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.513 8.505 -17.692 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.030 7.787 -19.237 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.029 6.803 -17.754 1.00 0.00 H new ATOM 184 N ALA A 23 11.490 6.350 -20.960 1.00 0.00 N ATOM 185 CA ALA A 23 12.630 5.580 -21.480 1.00 0.00 C ATOM 186 C ALA A 23 13.470 6.410 -22.470 1.00 0.00 C ATOM 187 O ALA A 23 14.680 6.500 -22.340 1.00 0.00 O ATOM 188 CB ALA A 23 12.130 4.300 -22.160 1.00 0.00 C ATOM 0 H ALA A 23 10.592 6.070 -21.354 1.00 0.00 H new ATOM 0 HA ALA A 23 13.270 5.318 -20.637 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.980 3.735 -22.542 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.586 3.692 -21.437 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.467 4.561 -22.985 1.00 0.00 H new ATOM 190 N SER A 24 12.780 7.140 -23.340 1.00 0.00 N ATOM 191 CA SER A 24 13.390 8.040 -24.340 1.00 0.00 C ATOM 192 C SER A 24 13.540 9.470 -23.790 1.00 0.00 C ATOM 193 O SER A 24 13.940 10.370 -24.510 1.00 0.00 O ATOM 194 CB SER A 24 12.530 8.080 -25.610 1.00 0.00 C ATOM 195 OG SER A 24 13.360 7.970 -26.770 1.00 0.00 O ATOM 0 H SER A 24 11.761 7.130 -23.379 1.00 0.00 H new ATOM 0 HA SER A 24 14.380 7.649 -24.573 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.805 7.266 -25.593 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.963 9.011 -25.646 1.00 0.00 H new ATOM 0 HG SER A 24 12.802 7.995 -27.575 1.00 0.00 H new ATOM 198 N ASP A 25 13.270 9.650 -22.490 1.00 0.00 N ATOM 199 CA ASP A 25 13.340 10.950 -21.790 1.00 0.00 C ATOM 200 C ASP A 25 12.760 12.080 -22.660 1.00 0.00 C ATOM 201 O ASP A 25 13.410 13.080 -22.960 1.00 0.00 O ATOM 202 CB ASP A 25 14.790 11.190 -21.370 1.00 0.00 C ATOM 203 CG ASP A 25 14.870 12.010 -20.090 1.00 0.00 C ATOM 204 OD1 ASP A 25 14.500 13.210 -20.130 1.00 0.00 O ATOM 205 OD2 ASP A 25 15.210 11.400 -19.060 1.00 0.00 O ATOM 0 H ASP A 25 12.991 8.883 -21.879 1.00 0.00 H new ATOM 0 HA ASP A 25 12.723 10.936 -20.891 1.00 0.00 H new ATOM 0 HB2 ASP A 25 15.291 10.233 -21.223 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.321 11.708 -22.169 1.00 0.00 H new ATOM 207 N GLY A 26 11.560 11.820 -23.160 1.00 0.00 N ATOM 208 CA GLY A 26 10.860 12.680 -24.120 1.00 0.00 C ATOM 209 C GLY A 26 11.270 12.490 -25.590 1.00 0.00 C ATOM 210 O GLY A 26 11.850 11.460 -25.940 1.00 0.00 O ATOM 0 H GLY A 26 11.029 10.987 -22.907 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.789 12.499 -24.032 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.031 13.720 -23.843 1.00 0.00 H new ATOM 212 N PRO A 27 10.810 13.430 -26.420 1.00 0.00 N ATOM 213 CA PRO A 27 9.960 14.590 -26.030 1.00 0.00 C ATOM 214 C PRO A 27 8.520 14.160 -25.770 1.00 0.00 C ATOM 215 O PRO A 27 8.020 13.200 -26.350 1.00 0.00 O ATOM 216 CB PRO A 27 10.070 15.570 -27.190 1.00 0.00 C ATOM 217 CG PRO A 27 10.410 14.710 -28.400 1.00 0.00 C ATOM 218 CD PRO A 27 11.110 13.460 -27.860 1.00 0.00 C ATOM 0 HA PRO A 27 10.290 15.046 -25.097 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.136 16.111 -27.340 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.844 16.315 -27.005 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.509 14.442 -28.952 1.00 0.00 H new ATOM 0 HG3 PRO A 27 11.058 15.250 -29.090 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.744 12.561 -28.356 1.00 0.00 H new ATOM 0 HD3 PRO A 27 12.185 13.506 -28.036 1.00 0.00 H new ATOM 219 N PHE A 28 7.960 14.780 -24.750 1.00 0.00 N ATOM 220 CA PHE A 28 6.600 14.460 -24.300 1.00 0.00 C ATOM 221 C PHE A 28 5.560 15.370 -24.960 1.00 0.00 C ATOM 222 O PHE A 28 5.830 16.560 -25.140 1.00 0.00 O ATOM 223 CB PHE A 28 6.500 14.600 -22.790 1.00 0.00 C ATOM 224 CG PHE A 28 7.430 13.710 -21.960 1.00 0.00 C ATOM 225 CD1 PHE A 28 8.810 13.980 -21.880 1.00 0.00 C ATOM 226 CD2 PHE A 28 6.860 12.690 -21.170 1.00 0.00 C ATOM 227 CE1 PHE A 28 9.640 13.210 -21.050 1.00 0.00 C ATOM 228 CE2 PHE A 28 7.690 11.920 -20.330 1.00 0.00 C ATOM 229 CZ PHE A 28 9.080 12.160 -20.290 1.00 0.00 C ATOM 0 H PHE A 28 8.420 15.512 -24.209 1.00 0.00 H new ATOM 0 HA PHE A 28 6.393 13.430 -24.592 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.700 15.639 -22.529 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.472 14.389 -22.495 1.00 0.00 H new ATOM 0 HD1 PHE A 28 9.233 14.786 -22.462 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.797 12.501 -21.208 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.698 13.419 -20.993 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.260 11.143 -19.715 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.717 11.539 -19.677 1.00 0.00 H new ATOM 231 N PRO A 29 4.410 14.800 -25.350 1.00 0.00 N ATOM 232 CA PRO A 29 3.340 15.540 -26.040 1.00 0.00 C ATOM 233 C PRO A 29 2.570 16.440 -25.050 1.00 0.00 C ATOM 234 O PRO A 29 2.640 17.660 -25.130 1.00 0.00 O ATOM 235 CB PRO A 29 2.480 14.470 -26.710 1.00 0.00 C ATOM 236 CG PRO A 29 2.730 13.180 -25.920 1.00 0.00 C ATOM 237 CD PRO A 29 4.080 13.360 -25.240 1.00 0.00 C ATOM 0 HA PRO A 29 3.715 16.234 -26.792 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.425 14.745 -26.687 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.755 14.347 -27.758 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.942 13.013 -25.185 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.738 12.313 -26.581 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.034 13.050 -24.196 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.843 12.748 -25.721 1.00 0.00 H new ATOM 238 N TYR A 30 1.900 15.800 -24.100 1.00 0.00 N ATOM 239 CA TYR A 30 1.190 16.490 -23.020 1.00 0.00 C ATOM 240 C TYR A 30 2.110 17.370 -22.180 1.00 0.00 C ATOM 241 O TYR A 30 3.320 17.150 -22.150 1.00 0.00 O ATOM 242 CB TYR A 30 0.480 15.450 -22.140 1.00 0.00 C ATOM 243 CG TYR A 30 -1.000 15.280 -22.510 1.00 0.00 C ATOM 244 CD1 TYR A 30 -1.500 15.630 -23.790 1.00 0.00 C ATOM 245 CD2 TYR A 30 -1.840 14.750 -21.520 1.00 0.00 C ATOM 246 CE1 TYR A 30 -2.860 15.410 -24.090 1.00 0.00 C ATOM 247 CE2 TYR A 30 -3.200 14.510 -21.820 1.00 0.00 C ATOM 248 CZ TYR A 30 -3.690 14.830 -23.100 1.00 0.00 C ATOM 249 OH TYR A 30 -4.970 14.500 -23.420 1.00 0.00 O ATOM 0 H TYR A 30 1.831 14.783 -24.053 1.00 0.00 H new ATOM 0 HA TYR A 30 0.458 17.158 -23.472 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.988 14.490 -22.236 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.558 15.749 -21.095 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.843 16.062 -24.530 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.451 14.527 -20.537 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.261 15.679 -25.056 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.856 14.085 -21.075 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.413 14.111 -22.637 1.00 0.00 H new ATOM 252 N SER A 31 1.510 18.310 -21.470 1.00 0.00 N ATOM 253 CA SER A 31 2.250 19.170 -20.520 1.00 0.00 C ATOM 254 C SER A 31 2.500 18.480 -19.170 1.00 0.00 C ATOM 255 O SER A 31 2.970 19.080 -18.200 1.00 0.00 O ATOM 256 CB SER A 31 1.530 20.500 -20.280 1.00 0.00 C ATOM 257 OG SER A 31 1.860 21.420 -21.320 1.00 0.00 O ATOM 0 H SER A 31 0.511 18.509 -21.523 1.00 0.00 H new ATOM 0 HA SER A 31 3.214 19.363 -20.990 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.452 20.341 -20.251 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.818 20.911 -19.313 1.00 0.00 H new ATOM 0 HG SER A 31 1.396 22.269 -21.165 1.00 0.00 H new ATOM 260 N GLN A 32 2.210 17.180 -19.130 1.00 0.00 N ATOM 261 CA GLN A 32 2.370 16.380 -17.910 1.00 0.00 C ATOM 262 C GLN A 32 3.590 15.480 -18.010 1.00 0.00 C ATOM 263 O GLN A 32 3.530 14.350 -18.490 1.00 0.00 O ATOM 264 CB GLN A 32 1.110 15.560 -17.690 1.00 0.00 C ATOM 265 CG GLN A 32 0.580 15.880 -16.290 1.00 0.00 C ATOM 266 CD GLN A 32 -0.940 15.950 -16.320 1.00 0.00 C ATOM 267 OE1 GLN A 32 -1.620 15.470 -17.210 1.00 0.00 O ATOM 268 NE2 GLN A 32 -1.520 16.600 -15.360 1.00 0.00 N ATOM 0 H GLN A 32 1.861 16.654 -19.931 1.00 0.00 H new ATOM 0 HA GLN A 32 2.523 17.044 -17.059 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.362 15.800 -18.445 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.326 14.496 -17.782 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.904 15.115 -15.584 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.990 16.828 -15.943 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.962 17.006 -14.609 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.535 16.705 -15.355 1.00 0.00 H new ATOM 272 N ASP A 33 4.690 16.110 -17.610 1.00 0.00 N ATOM 273 CA ASP A 33 6.020 15.510 -17.630 1.00 0.00 C ATOM 274 C ASP A 33 7.130 16.460 -17.190 1.00 0.00 C ATOM 275 O ASP A 33 7.150 17.610 -17.620 1.00 0.00 O ATOM 276 CB ASP A 33 6.390 15.050 -19.030 1.00 0.00 C ATOM 277 CG ASP A 33 6.330 16.140 -20.080 1.00 0.00 C ATOM 278 OD1 ASP A 33 5.240 16.290 -20.660 1.00 0.00 O ATOM 279 OD2 ASP A 33 7.430 16.660 -20.390 1.00 0.00 O ATOM 0 H ASP A 33 4.682 17.067 -17.257 1.00 0.00 H new ATOM 0 HA ASP A 33 5.952 14.680 -16.927 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.398 14.637 -19.009 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.720 14.242 -19.323 1.00 0.00 H new ATOM 281 N GLY A 34 8.100 15.860 -16.510 1.00 0.00 N ATOM 282 CA GLY A 34 9.280 16.590 -16.000 1.00 0.00 C ATOM 283 C GLY A 34 8.980 17.220 -14.630 1.00 0.00 C ATOM 284 O GLY A 34 9.510 18.270 -14.280 1.00 0.00 O ATOM 0 H GLY A 34 8.102 14.864 -16.292 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.126 15.908 -15.915 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.567 17.367 -16.708 1.00 0.00 H new ATOM 286 N VAL A 35 8.110 16.550 -13.890 1.00 0.00 N ATOM 287 CA VAL A 35 7.700 16.970 -12.540 1.00 0.00 C ATOM 288 C VAL A 35 7.840 15.790 -11.590 1.00 0.00 C ATOM 289 O VAL A 35 7.620 14.650 -12.000 1.00 0.00 O ATOM 290 CB VAL A 35 6.260 17.540 -12.540 1.00 0.00 C ATOM 291 CG1 VAL A 35 6.170 18.810 -13.400 1.00 0.00 C ATOM 292 CG2 VAL A 35 5.190 16.530 -12.990 1.00 0.00 C ATOM 0 H VAL A 35 7.659 15.691 -14.204 1.00 0.00 H new ATOM 0 HA VAL A 35 8.350 17.776 -12.200 1.00 0.00 H new ATOM 0 HB VAL A 35 6.045 17.782 -11.499 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.148 19.189 -13.383 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.845 19.567 -13.002 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.452 18.575 -14.426 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.209 17.004 -12.963 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.406 16.200 -14.006 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.196 15.670 -12.320 1.00 0.00 H new ATOM 294 N VAL A 36 8.120 16.110 -10.330 1.00 0.00 N ATOM 295 CA VAL A 36 8.220 15.150 -9.220 1.00 0.00 C ATOM 296 C VAL A 36 6.840 14.940 -8.580 1.00 0.00 C ATOM 297 O VAL A 36 5.940 15.780 -8.680 1.00 0.00 O ATOM 298 CB VAL A 36 9.320 15.580 -8.220 1.00 0.00 C ATOM 299 CG1 VAL A 36 9.230 14.980 -6.800 1.00 0.00 C ATOM 300 CG2 VAL A 36 10.710 15.220 -8.740 1.00 0.00 C ATOM 0 H VAL A 36 8.290 17.072 -10.038 1.00 0.00 H new ATOM 0 HA VAL A 36 8.534 14.177 -9.598 1.00 0.00 H new ATOM 0 HB VAL A 36 9.152 16.654 -8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.054 15.356 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.283 15.267 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.290 13.893 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.462 15.534 -8.016 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.776 14.142 -8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.886 15.726 -9.689 1.00 0.00 H new ATOM 302 N PHE A 37 6.710 13.800 -7.930 1.00 0.00 N ATOM 303 CA PHE A 37 5.510 13.450 -7.180 1.00 0.00 C ATOM 304 C PHE A 37 5.940 12.860 -5.830 1.00 0.00 C ATOM 305 O PHE A 37 6.110 11.650 -5.740 1.00 0.00 O ATOM 306 CB PHE A 37 4.730 12.420 -8.000 1.00 0.00 C ATOM 307 CG PHE A 37 3.500 11.880 -7.260 1.00 0.00 C ATOM 308 CD1 PHE A 37 2.570 12.750 -6.660 1.00 0.00 C ATOM 309 CD2 PHE A 37 3.320 10.480 -7.190 1.00 0.00 C ATOM 310 CE1 PHE A 37 1.440 12.230 -6.000 1.00 0.00 C ATOM 311 CE2 PHE A 37 2.170 9.950 -6.550 1.00 0.00 C ATOM 312 CZ PHE A 37 1.240 10.830 -5.970 1.00 0.00 C ATOM 0 H PHE A 37 7.436 13.084 -7.905 1.00 0.00 H new ATOM 0 HA PHE A 37 4.878 14.320 -6.998 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.413 12.874 -8.939 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.389 11.590 -8.254 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.723 13.818 -6.706 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.055 9.816 -7.622 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.734 12.893 -5.522 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.011 8.883 -6.509 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.357 10.430 -5.493 1.00 0.00 H new ATOM 314 N GLN A 38 6.030 13.660 -4.780 1.00 0.00 N ATOM 315 CA GLN A 38 6.410 13.140 -3.450 1.00 0.00 C ATOM 316 C GLN A 38 5.300 12.280 -2.820 1.00 0.00 C ATOM 317 O GLN A 38 4.790 12.600 -1.750 1.00 0.00 O ATOM 318 CB GLN A 38 6.790 14.310 -2.530 1.00 0.00 C ATOM 319 CG GLN A 38 7.620 13.780 -1.350 1.00 0.00 C ATOM 320 CD GLN A 38 6.990 13.970 0.040 1.00 0.00 C ATOM 321 OE1 GLN A 38 5.790 14.010 0.270 1.00 0.00 O ATOM 322 NE2 GLN A 38 7.850 14.090 1.020 1.00 0.00 N ATOM 0 H GLN A 38 5.850 14.664 -4.808 1.00 0.00 H new ATOM 0 HA GLN A 38 7.272 12.486 -3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.361 15.054 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.891 14.806 -2.164 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.802 12.717 -1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.591 14.275 -1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.851 14.056 0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.519 14.217 1.976 1.00 0.00 H new ATOM 326 N ASN A 39 4.850 11.270 -3.570 1.00 0.00 N ATOM 327 CA ASN A 39 3.760 10.330 -3.260 1.00 0.00 C ATOM 328 C ASN A 39 2.750 10.990 -2.310 1.00 0.00 C ATOM 329 O ASN A 39 2.580 10.580 -1.170 1.00 0.00 O ATOM 330 CB ASN A 39 4.330 9.040 -2.670 1.00 0.00 C ATOM 331 CG ASN A 39 4.940 9.240 -1.260 1.00 0.00 C ATOM 332 OD1 ASN A 39 5.680 10.160 -0.960 1.00 0.00 O ATOM 333 ND2 ASN A 39 4.710 8.290 -0.400 1.00 0.00 N ATOM 0 H ASN A 39 5.267 11.070 -4.479 1.00 0.00 H new ATOM 0 HA ASN A 39 3.233 10.070 -4.178 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.540 8.291 -2.616 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.096 8.648 -3.339 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.149 8.318 0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.091 7.518 -0.647 1.00 0.00 H new ATOM 337 N ARG A 40 2.260 12.150 -2.730 1.00 0.00 N ATOM 338 CA ARG A 40 1.420 12.970 -1.830 1.00 0.00 C ATOM 339 C ARG A 40 0.200 12.190 -1.350 1.00 0.00 C ATOM 340 O ARG A 40 -0.300 12.370 -0.250 1.00 0.00 O ATOM 341 CB ARG A 40 0.950 14.270 -2.480 1.00 0.00 C ATOM 342 CG ARG A 40 2.090 15.210 -2.830 1.00 0.00 C ATOM 343 CD ARG A 40 2.640 14.900 -4.220 1.00 0.00 C ATOM 344 NE ARG A 40 2.610 16.090 -5.080 1.00 0.00 N ATOM 345 CZ ARG A 40 3.440 17.130 -4.950 1.00 0.00 C ATOM 346 NH1 ARG A 40 4.390 17.130 -4.030 1.00 0.00 N ATOM 347 NH2 ARG A 40 3.300 18.190 -5.740 1.00 0.00 N ATOM 0 H ARG A 40 2.416 12.546 -3.657 1.00 0.00 H new ATOM 0 HA ARG A 40 2.056 13.223 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.391 14.034 -3.386 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.263 14.779 -1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.741 16.242 -2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.885 15.116 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.663 14.534 -4.136 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.053 14.103 -4.677 1.00 0.00 H new ATOM 0 HE ARG A 40 1.912 16.125 -5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.497 16.329 -3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.016 17.931 -3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.561 18.208 -6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.932 18.985 -5.643 1.00 0.00 H new ATOM 354 N GLU A 41 -0.140 11.210 -2.180 1.00 0.00 N ATOM 355 CA GLU A 41 -1.190 10.240 -1.870 1.00 0.00 C ATOM 356 C GLU A 41 -0.770 9.160 -0.870 1.00 0.00 C ATOM 357 O GLU A 41 -1.620 8.390 -0.440 1.00 0.00 O ATOM 358 CB GLU A 41 -1.710 9.620 -3.160 1.00 0.00 C ATOM 359 CG GLU A 41 -3.120 10.170 -3.340 1.00 0.00 C ATOM 360 CD GLU A 41 -3.780 9.450 -4.510 1.00 0.00 C ATOM 361 OE1 GLU A 41 -3.420 9.860 -5.620 1.00 0.00 O ATOM 362 OE2 GLU A 41 -4.460 8.430 -4.270 1.00 0.00 O ATOM 0 H GLU A 41 0.303 11.064 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.988 10.791 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.075 9.885 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.719 8.532 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.702 10.024 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.086 11.243 -3.528 1.00 0.00 H new ATOM 364 N SER A 42 0.530 9.060 -0.570 1.00 0.00 N ATOM 365 CA SER A 42 1.130 8.060 0.350 1.00 0.00 C ATOM 366 C SER A 42 0.540 6.660 0.100 1.00 0.00 C ATOM 367 O SER A 42 0.130 5.910 0.970 1.00 0.00 O ATOM 368 CB SER A 42 0.940 8.530 1.790 1.00 0.00 C ATOM 369 OG SER A 42 1.430 7.570 2.730 1.00 0.00 O ATOM 0 H SER A 42 1.225 9.690 -0.970 1.00 0.00 H new ATOM 0 HA SER A 42 2.200 7.976 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.458 9.478 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.118 8.714 1.976 1.00 0.00 H new ATOM 0 HG SER A 42 1.127 6.675 2.471 1.00 0.00 H new ATOM 372 N VAL A 43 0.360 6.390 -1.190 1.00 0.00 N ATOM 373 CA VAL A 43 -0.230 5.110 -1.620 1.00 0.00 C ATOM 374 C VAL A 43 0.850 4.220 -2.250 1.00 0.00 C ATOM 375 O VAL A 43 0.680 3.030 -2.490 1.00 0.00 O ATOM 376 CB VAL A 43 -1.470 5.380 -2.510 1.00 0.00 C ATOM 377 CG1 VAL A 43 -1.920 4.180 -3.350 1.00 0.00 C ATOM 378 CG2 VAL A 43 -2.660 5.760 -1.630 1.00 0.00 C ATOM 0 H VAL A 43 0.607 7.024 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.604 4.541 -0.769 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.163 6.177 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.793 4.457 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.111 3.878 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.177 3.350 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.531 5.949 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.879 4.943 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.420 6.659 -1.062 1.00 0.00 H new ATOM 380 N LEU A 44 1.960 4.860 -2.560 1.00 0.00 N ATOM 381 CA LEU A 44 3.030 4.200 -3.310 1.00 0.00 C ATOM 382 C LEU A 44 4.150 3.840 -2.330 1.00 0.00 C ATOM 383 O LEU A 44 4.280 4.540 -1.310 1.00 0.00 O ATOM 384 CB LEU A 44 3.480 5.190 -4.380 1.00 0.00 C ATOM 385 CG LEU A 44 2.440 5.690 -5.410 1.00 0.00 C ATOM 386 CD1 LEU A 44 2.790 5.110 -6.750 1.00 0.00 C ATOM 387 CD2 LEU A 44 1.020 5.200 -5.270 1.00 0.00 C ATOM 0 H LEU A 44 2.152 5.830 -2.310 1.00 0.00 H new ATOM 0 HA LEU A 44 2.714 3.275 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.889 6.063 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.299 4.730 -4.933 1.00 0.00 H new ATOM 0 HG LEU A 44 2.477 6.770 -5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.069 5.450 -7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.789 5.437 -7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.767 4.022 -6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.406 5.633 -6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.001 4.113 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.626 5.499 -4.299 1.00 0.00 H new ATOM 425 N TYR A 49 12.560 11.410 -1.240 1.00 0.00 N ATOM 426 CA TYR A 49 12.040 12.590 -1.930 1.00 0.00 C ATOM 427 C TYR A 49 12.630 12.700 -3.340 1.00 0.00 C ATOM 428 O TYR A 49 13.810 12.410 -3.560 1.00 0.00 O ATOM 429 CB TYR A 49 12.390 13.830 -1.100 1.00 0.00 C ATOM 430 CG TYR A 49 11.890 15.150 -1.700 1.00 0.00 C ATOM 431 CD1 TYR A 49 10.660 15.200 -2.400 1.00 0.00 C ATOM 432 CD2 TYR A 49 12.700 16.290 -1.560 1.00 0.00 C ATOM 433 CE1 TYR A 49 10.250 16.410 -2.990 1.00 0.00 C ATOM 434 CE2 TYR A 49 12.280 17.510 -2.130 1.00 0.00 C ATOM 435 CZ TYR A 49 11.060 17.540 -2.840 1.00 0.00 C ATOM 436 OH TYR A 49 10.640 18.710 -3.380 1.00 0.00 O ATOM 0 HA TYR A 49 10.958 12.507 -2.034 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.969 13.715 -0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 49 13.473 13.883 -0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.042 14.318 -2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.634 16.233 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.327 16.465 -3.548 1.00 0.00 H new ATOM 0 HE2 TYR A 49 12.879 18.402 -2.025 1.00 0.00 H new ATOM 0 HH TYR A 49 11.301 19.410 -3.198 1.00 0.00 H new ATOM 439 N GLY A 50 11.760 13.060 -4.270 1.00 0.00 N ATOM 440 CA GLY A 50 12.110 13.210 -5.690 1.00 0.00 C ATOM 441 C GLY A 50 12.310 11.860 -6.380 1.00 0.00 C ATOM 442 O GLY A 50 12.640 11.800 -7.560 1.00 0.00 O ATOM 0 H GLY A 50 10.780 13.260 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.322 13.764 -6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.022 13.800 -5.777 1.00 0.00 H new ATOM 444 N TYR A 51 11.900 10.810 -5.680 1.00 0.00 N ATOM 445 CA TYR A 51 11.980 9.420 -6.170 1.00 0.00 C ATOM 446 C TYR A 51 10.750 9.020 -6.990 1.00 0.00 C ATOM 447 O TYR A 51 10.500 7.840 -7.220 1.00 0.00 O ATOM 448 CB TYR A 51 12.130 8.520 -4.950 1.00 0.00 C ATOM 449 CG TYR A 51 13.300 7.560 -5.140 1.00 0.00 C ATOM 450 CD1 TYR A 51 14.610 8.040 -4.900 1.00 0.00 C ATOM 451 CD2 TYR A 51 13.040 6.210 -5.440 1.00 0.00 C ATOM 452 CE1 TYR A 51 15.690 7.140 -4.940 1.00 0.00 C ATOM 453 CE2 TYR A 51 14.120 5.310 -5.490 1.00 0.00 C ATOM 454 CZ TYR A 51 15.430 5.790 -5.250 1.00 0.00 C ATOM 455 OH TYR A 51 16.490 4.950 -5.420 1.00 0.00 O ATOM 0 H TYR A 51 11.497 10.889 -4.746 1.00 0.00 H new ATOM 0 HA TYR A 51 12.833 9.319 -6.841 1.00 0.00 H new ATOM 0 HB2 TYR A 51 12.290 9.127 -4.059 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.211 7.956 -4.790 1.00 0.00 H new ATOM 0 HD1 TYR A 51 14.778 9.086 -4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 51 12.032 5.872 -5.628 1.00 0.00 H new ATOM 0 HE1 TYR A 51 16.696 7.476 -4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.952 4.266 -5.709 1.00 0.00 H new ATOM 0 HH TYR A 51 16.164 4.050 -5.628 1.00 0.00 H new ATOM 458 N TYR A 52 9.990 10.030 -7.410 1.00 0.00 N ATOM 459 CA TYR A 52 8.720 9.840 -8.120 1.00 0.00 C ATOM 460 C TYR A 52 8.490 11.020 -9.050 1.00 0.00 C ATOM 461 O TYR A 52 8.800 12.160 -8.690 1.00 0.00 O ATOM 462 CB TYR A 52 7.580 9.830 -7.130 1.00 0.00 C ATOM 463 CG TYR A 52 7.260 8.530 -6.420 1.00 0.00 C ATOM 464 CD1 TYR A 52 8.180 7.960 -5.530 1.00 0.00 C ATOM 465 CD2 TYR A 52 6.090 7.860 -6.820 1.00 0.00 C ATOM 466 CE1 TYR A 52 7.980 6.640 -5.090 1.00 0.00 C ATOM 467 CE2 TYR A 52 5.870 6.570 -6.330 1.00 0.00 C ATOM 468 CZ TYR A 52 6.810 5.960 -5.470 1.00 0.00 C ATOM 469 OH TYR A 52 6.450 4.820 -4.820 1.00 0.00 O ATOM 0 H TYR A 52 10.237 11.009 -7.268 1.00 0.00 H new ATOM 0 HA TYR A 52 8.763 8.901 -8.671 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.793 10.581 -6.369 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.681 10.153 -7.654 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.032 8.528 -5.186 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.382 8.329 -7.487 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.717 6.154 -4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.975 6.035 -6.611 1.00 0.00 H new ATOM 0 HH TYR A 52 6.216 4.130 -5.475 1.00 0.00 H new ATOM 472 N HIS A 53 7.880 10.690 -10.170 1.00 0.00 N ATOM 473 CA HIS A 53 7.540 11.680 -11.200 1.00 0.00 C ATOM 474 C HIS A 53 6.190 11.360 -11.850 1.00 0.00 C ATOM 475 O HIS A 53 5.690 10.240 -11.750 1.00 0.00 O ATOM 476 CB HIS A 53 8.660 11.760 -12.250 1.00 0.00 C ATOM 477 CG HIS A 53 10.020 12.200 -11.710 1.00 0.00 C ATOM 478 ND1 HIS A 53 10.970 11.370 -11.270 1.00 0.00 N ATOM 479 CD2 HIS A 53 10.480 13.440 -11.590 1.00 0.00 C ATOM 480 CE1 HIS A 53 12.000 12.100 -10.860 1.00 0.00 C ATOM 481 NE2 HIS A 53 11.690 13.370 -11.050 1.00 0.00 N ATOM 0 H HIS A 53 7.603 9.736 -10.402 1.00 0.00 H new ATOM 0 HA HIS A 53 7.447 12.656 -10.723 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.770 10.781 -12.717 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.355 12.454 -13.033 1.00 0.00 H new ATOM 0 HD2 HIS A 53 9.963 14.343 -11.880 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.924 11.724 -10.446 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.284 14.167 -10.819 1.00 0.00 H new ATOM 485 N GLU A 54 5.590 12.380 -12.420 1.00 0.00 N ATOM 486 CA GLU A 54 4.280 12.230 -13.090 1.00 0.00 C ATOM 487 C GLU A 54 4.440 12.400 -14.590 1.00 0.00 C ATOM 488 O GLU A 54 5.260 13.200 -15.050 1.00 0.00 O ATOM 489 CB GLU A 54 3.290 13.290 -12.640 1.00 0.00 C ATOM 490 CG GLU A 54 2.880 13.090 -11.180 1.00 0.00 C ATOM 491 CD GLU A 54 2.730 14.420 -10.440 1.00 0.00 C ATOM 492 OE1 GLU A 54 2.720 15.490 -11.080 1.00 0.00 O ATOM 493 OE2 GLU A 54 2.680 14.350 -9.200 1.00 0.00 O ATOM 0 H GLU A 54 5.971 13.326 -12.443 1.00 0.00 H new ATOM 0 HA GLU A 54 3.911 11.238 -12.830 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.733 14.278 -12.763 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.405 13.256 -13.275 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.937 12.544 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.626 12.476 -10.675 1.00 0.00 H new ATOM 495 N TYR A 55 3.590 11.660 -15.300 1.00 0.00 N ATOM 496 CA TYR A 55 3.640 11.600 -16.770 1.00 0.00 C ATOM 497 C TYR A 55 2.300 11.080 -17.330 1.00 0.00 C ATOM 498 O TYR A 55 2.220 9.990 -17.900 1.00 0.00 O ATOM 499 CB TYR A 55 4.760 10.650 -17.210 1.00 0.00 C ATOM 500 CG TYR A 55 6.160 11.050 -16.760 1.00 0.00 C ATOM 501 CD1 TYR A 55 6.770 12.150 -17.370 1.00 0.00 C ATOM 502 CD2 TYR A 55 6.790 10.340 -15.730 1.00 0.00 C ATOM 503 CE1 TYR A 55 8.040 12.580 -16.940 1.00 0.00 C ATOM 504 CE2 TYR A 55 8.080 10.750 -15.330 1.00 0.00 C ATOM 505 CZ TYR A 55 8.680 11.870 -15.920 1.00 0.00 C ATOM 506 OH TYR A 55 9.910 12.270 -15.510 1.00 0.00 O ATOM 0 H TYR A 55 2.854 11.090 -14.884 1.00 0.00 H new ATOM 0 HA TYR A 55 3.829 12.603 -17.152 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.542 9.654 -16.825 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.751 10.581 -18.298 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.267 12.670 -18.172 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.302 9.502 -15.255 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.511 13.442 -17.390 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.607 10.198 -14.566 1.00 0.00 H new ATOM 0 HH TYR A 55 10.225 11.679 -14.794 1.00 0.00 H new ATOM 509 N THR A 56 1.240 11.850 -17.100 1.00 0.00 N ATOM 510 CA THR A 56 -0.100 11.470 -17.610 1.00 0.00 C ATOM 511 C THR A 56 -0.030 10.860 -19.010 1.00 0.00 C ATOM 512 O THR A 56 0.590 11.400 -19.930 1.00 0.00 O ATOM 513 CB THR A 56 -1.090 12.640 -17.590 1.00 0.00 C ATOM 514 OG1 THR A 56 -1.850 12.580 -16.390 1.00 0.00 O ATOM 515 CG2 THR A 56 -2.030 12.870 -18.780 1.00 0.00 C ATOM 0 H THR A 56 1.266 12.725 -16.577 1.00 0.00 H new ATOM 0 HA THR A 56 -0.472 10.709 -16.924 1.00 0.00 H new ATOM 0 HB THR A 56 -0.429 13.504 -17.663 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.097 13.487 -16.114 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.656 13.741 -18.586 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.441 13.039 -19.681 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.662 11.993 -18.919 1.00 0.00 H new ATOM 518 N VAL A 57 -0.640 9.700 -19.060 1.00 0.00 N ATOM 519 CA VAL A 57 -0.710 8.990 -20.330 1.00 0.00 C ATOM 520 C VAL A 57 -1.900 9.530 -21.130 1.00 0.00 C ATOM 521 O VAL A 57 -3.020 9.510 -20.620 1.00 0.00 O ATOM 522 CB VAL A 57 -0.710 7.490 -20.040 1.00 0.00 C ATOM 523 CG1 VAL A 57 -2.050 6.750 -19.980 1.00 0.00 C ATOM 524 CG2 VAL A 57 0.130 6.900 -21.140 1.00 0.00 C ATOM 0 H VAL A 57 -1.084 9.234 -18.269 1.00 0.00 H new ATOM 0 HA VAL A 57 0.155 9.159 -20.971 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.344 7.367 -19.021 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.874 5.696 -19.765 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.669 7.182 -19.194 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.561 6.845 -20.938 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.187 5.819 -21.014 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.321 7.129 -22.105 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.133 7.324 -21.099 1.00 0.00 H new ATOM 526 N ILE A 58 -1.620 10.060 -22.320 1.00 0.00 N ATOM 527 CA ILE A 58 -2.700 10.490 -23.250 1.00 0.00 C ATOM 528 C ILE A 58 -3.760 9.380 -23.300 1.00 0.00 C ATOM 529 O ILE A 58 -3.450 8.210 -23.100 1.00 0.00 O ATOM 530 CB ILE A 58 -2.140 10.820 -24.650 1.00 0.00 C ATOM 531 CG1 ILE A 58 -2.070 12.310 -24.850 1.00 0.00 C ATOM 532 CG2 ILE A 58 -2.800 10.210 -25.900 1.00 0.00 C ATOM 533 CD1 ILE A 58 -0.660 12.690 -25.270 1.00 0.00 C ATOM 0 H ILE A 58 -0.674 10.206 -22.672 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.159 11.410 -22.887 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.170 10.325 -24.601 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.786 12.621 -25.611 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.340 12.826 -23.929 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.275 10.552 -26.792 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.750 9.123 -25.844 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.843 10.523 -25.951 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.602 13.769 -25.417 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.044 12.391 -24.493 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.409 12.183 -26.202 1.00 0.00 H new ATOM 535 N THR A 59 -4.900 9.780 -23.850 1.00 0.00 N ATOM 536 CA THR A 59 -6.040 8.880 -24.050 1.00 0.00 C ATOM 537 C THR A 59 -7.010 9.380 -25.120 1.00 0.00 C ATOM 538 O THR A 59 -7.160 10.600 -25.280 1.00 0.00 O ATOM 539 CB THR A 59 -6.690 8.660 -22.680 1.00 0.00 C ATOM 540 OG1 THR A 59 -5.830 7.700 -22.080 1.00 0.00 O ATOM 541 CG2 THR A 59 -8.130 8.120 -22.690 1.00 0.00 C ATOM 0 H THR A 59 -5.065 10.734 -24.171 1.00 0.00 H new ATOM 0 HA THR A 59 -5.702 7.923 -24.447 1.00 0.00 H new ATOM 0 HB THR A 59 -6.790 9.614 -22.163 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.049 7.556 -22.654 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.483 8.005 -21.665 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.777 8.819 -23.220 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.152 7.153 -23.192 1.00 0.00 H new ATOM 544 N PRO A 60 -7.620 8.450 -25.870 1.00 0.00 N ATOM 545 CA PRO A 60 -8.650 8.800 -26.860 1.00 0.00 C ATOM 546 C PRO A 60 -9.970 9.200 -26.190 1.00 0.00 C ATOM 547 O PRO A 60 -10.220 8.830 -25.040 1.00 0.00 O ATOM 548 CB PRO A 60 -8.800 7.550 -27.730 1.00 0.00 C ATOM 549 CG PRO A 60 -8.400 6.400 -26.810 1.00 0.00 C ATOM 550 CD PRO A 60 -7.350 7.000 -25.870 1.00 0.00 C ATOM 0 HA PRO A 60 -8.367 9.670 -27.453 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.823 7.435 -28.088 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.158 7.598 -28.609 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.258 6.021 -26.255 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.992 5.563 -27.377 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.435 6.583 -24.866 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.340 6.787 -26.220 1.00 0.00 H new ATOM 551 N GLY A 61 -10.680 10.080 -26.880 1.00 0.00 N ATOM 552 CA GLY A 61 -11.940 10.690 -26.390 1.00 0.00 C ATOM 553 C GLY A 61 -11.770 11.370 -25.020 1.00 0.00 C ATOM 554 O GLY A 61 -12.740 11.600 -24.300 1.00 0.00 O ATOM 0 H GLY A 61 -10.408 10.404 -27.808 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.291 11.424 -27.115 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.709 9.921 -26.318 1.00 0.00 H new ATOM 556 N ALA A 62 -10.520 11.700 -24.700 1.00 0.00 N ATOM 557 CA ALA A 62 -10.170 12.360 -23.440 1.00 0.00 C ATOM 558 C ALA A 62 -10.340 13.850 -23.690 1.00 0.00 C ATOM 559 O ALA A 62 -9.440 14.540 -24.160 1.00 0.00 O ATOM 560 CB ALA A 62 -8.730 12.010 -23.030 1.00 0.00 C ATOM 0 H ALA A 62 -9.720 11.518 -25.306 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.806 12.032 -22.617 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.487 12.509 -22.092 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.640 10.931 -22.901 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.040 12.341 -23.806 1.00 0.00 H new ATOM 562 N ARG A 63 -11.590 14.280 -23.490 1.00 0.00 N ATOM 563 CA ARG A 63 -11.970 15.710 -23.600 1.00 0.00 C ATOM 564 C ARG A 63 -10.970 16.630 -22.890 1.00 0.00 C ATOM 565 O ARG A 63 -10.820 17.800 -23.220 1.00 0.00 O ATOM 566 CB ARG A 63 -13.360 15.970 -23.040 1.00 0.00 C ATOM 567 CG ARG A 63 -14.420 15.870 -24.140 1.00 0.00 C ATOM 568 CD ARG A 63 -15.470 14.820 -23.790 1.00 0.00 C ATOM 569 NE ARG A 63 -16.540 14.800 -24.800 1.00 0.00 N ATOM 570 CZ ARG A 63 -17.560 13.950 -24.830 1.00 0.00 C ATOM 571 NH1 ARG A 63 -17.680 12.990 -23.920 1.00 0.00 N ATOM 572 NH2 ARG A 63 -18.480 14.030 -25.780 1.00 0.00 N ATOM 0 H ARG A 63 -12.366 13.663 -23.250 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.963 15.937 -24.666 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.579 15.250 -22.252 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -13.394 16.960 -22.586 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -14.900 16.839 -24.277 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.945 15.613 -25.087 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -15.003 13.837 -23.728 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -15.893 15.034 -22.809 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.494 15.499 -25.541 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -16.982 12.897 -23.182 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -18.470 12.346 -23.959 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -18.409 14.750 -26.499 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -19.259 13.371 -25.792 1.00 0.00 H new ATOM 579 N THR A 64 -10.330 16.060 -21.870 1.00 0.00 N ATOM 580 CA THR A 64 -9.330 16.760 -21.060 1.00 0.00 C ATOM 581 C THR A 64 -8.040 15.920 -20.990 1.00 0.00 C ATOM 582 O THR A 64 -7.880 14.920 -21.690 1.00 0.00 O ATOM 583 CB THR A 64 -9.950 17.000 -19.680 1.00 0.00 C ATOM 584 OG1 THR A 64 -10.210 15.740 -19.060 1.00 0.00 O ATOM 585 CG2 THR A 64 -11.230 17.850 -19.770 1.00 0.00 C ATOM 0 H THR A 64 -10.490 15.095 -21.580 1.00 0.00 H new ATOM 0 HA THR A 64 -9.053 17.720 -21.496 1.00 0.00 H new ATOM 0 HB THR A 64 -9.244 17.564 -19.071 1.00 0.00 H new ATOM 0 HG1 THR A 64 -10.605 15.886 -18.175 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.640 17.998 -18.771 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.994 18.818 -20.212 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.965 17.337 -20.391 1.00 0.00 H new ATOM 588 N ARG A 65 -7.190 16.260 -20.020 1.00 0.00 N ATOM 589 CA ARG A 65 -5.970 15.490 -19.720 1.00 0.00 C ATOM 590 C ARG A 65 -6.220 14.010 -19.400 1.00 0.00 C ATOM 591 O ARG A 65 -5.320 13.190 -19.550 1.00 0.00 O ATOM 592 CB ARG A 65 -5.170 16.120 -18.580 1.00 0.00 C ATOM 593 CG ARG A 65 -4.130 17.060 -19.190 1.00 0.00 C ATOM 594 CD ARG A 65 -3.190 17.620 -18.140 1.00 0.00 C ATOM 595 NE ARG A 65 -3.550 18.960 -17.670 1.00 0.00 N ATOM 596 CZ ARG A 65 -4.480 19.280 -16.770 1.00 0.00 C ATOM 597 NH1 ARG A 65 -5.200 18.360 -16.120 1.00 0.00 N ATOM 598 NH2 ARG A 65 -4.680 20.560 -16.500 1.00 0.00 N ATOM 0 H ARG A 65 -7.322 17.073 -19.419 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.394 15.527 -20.645 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.831 16.668 -17.909 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.682 15.348 -17.986 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.554 16.524 -19.944 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.636 17.880 -19.699 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.168 16.941 -17.288 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.180 17.649 -18.550 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.030 19.737 -18.078 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.047 17.369 -16.305 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.902 18.649 -15.439 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.129 21.274 -16.976 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.385 20.833 -15.816 1.00 0.00 H new ATOM 605 N GLY A 66 -7.480 13.730 -19.070 1.00 0.00 N ATOM 606 CA GLY A 66 -7.950 12.380 -18.750 1.00 0.00 C ATOM 607 C GLY A 66 -7.290 11.970 -17.440 1.00 0.00 C ATOM 608 O GLY A 66 -6.110 12.160 -17.180 1.00 0.00 O ATOM 0 H GLY A 66 -8.211 14.439 -19.016 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.036 12.363 -18.655 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.689 11.683 -19.547 1.00 0.00 H new ATOM 610 N THR A 67 -8.160 11.480 -16.580 1.00 0.00 N ATOM 611 CA THR A 67 -7.760 10.950 -15.270 1.00 0.00 C ATOM 612 C THR A 67 -6.520 10.050 -15.340 1.00 0.00 C ATOM 613 O THR A 67 -5.600 10.180 -14.540 1.00 0.00 O ATOM 614 CB THR A 67 -8.960 10.220 -14.690 1.00 0.00 C ATOM 615 OG1 THR A 67 -9.510 9.370 -15.690 1.00 0.00 O ATOM 616 CG2 THR A 67 -10.010 11.180 -14.120 1.00 0.00 C ATOM 0 H THR A 67 -9.163 11.433 -16.758 1.00 0.00 H new ATOM 0 HA THR A 67 -7.464 11.774 -14.621 1.00 0.00 H new ATOM 0 HB THR A 67 -8.626 9.617 -13.846 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.446 8.437 -15.398 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.846 10.608 -13.718 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.564 11.777 -13.325 1.00 0.00 H new ATOM 0 HG23 THR A 67 -10.368 11.839 -14.911 1.00 0.00 H new ATOM 619 N ARG A 68 -6.460 9.200 -16.360 1.00 0.00 N ATOM 620 CA ARG A 68 -5.300 8.340 -16.680 1.00 0.00 C ATOM 621 C ARG A 68 -3.950 9.050 -16.490 1.00 0.00 C ATOM 622 O ARG A 68 -3.550 9.940 -17.240 1.00 0.00 O ATOM 623 CB ARG A 68 -5.400 7.860 -18.120 1.00 0.00 C ATOM 624 CG ARG A 68 -6.570 6.890 -18.200 1.00 0.00 C ATOM 625 CD ARG A 68 -7.260 7.080 -19.540 1.00 0.00 C ATOM 626 NE ARG A 68 -7.010 5.950 -20.460 1.00 0.00 N ATOM 627 CZ ARG A 68 -7.850 4.940 -20.610 1.00 0.00 C ATOM 628 NH1 ARG A 68 -8.960 4.900 -19.890 1.00 0.00 N ATOM 629 NH2 ARG A 68 -7.600 3.990 -21.500 1.00 0.00 N ATOM 0 H ARG A 68 -7.234 9.079 -17.013 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.332 7.503 -15.982 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.554 8.702 -18.795 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.475 7.371 -18.426 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.219 5.863 -18.096 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.270 7.072 -17.384 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.333 7.188 -19.382 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.911 8.005 -19.999 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.148 5.950 -21.005 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.163 5.646 -19.224 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.612 4.124 -20.001 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.757 4.036 -22.072 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.251 3.213 -21.612 1.00 0.00 H new ATOM 636 N ARG A 69 -3.350 8.690 -15.370 1.00 0.00 N ATOM 637 CA ARG A 69 -2.080 9.280 -14.950 1.00 0.00 C ATOM 638 C ARG A 69 -1.090 8.160 -14.640 1.00 0.00 C ATOM 639 O ARG A 69 -1.430 7.140 -14.030 1.00 0.00 O ATOM 640 CB ARG A 69 -2.310 10.210 -13.750 1.00 0.00 C ATOM 641 CG ARG A 69 -1.020 10.800 -13.170 1.00 0.00 C ATOM 642 CD ARG A 69 -0.760 12.240 -13.560 1.00 0.00 C ATOM 643 NE ARG A 69 -0.710 13.040 -12.330 1.00 0.00 N ATOM 644 CZ ARG A 69 -1.070 14.310 -12.210 1.00 0.00 C ATOM 645 NH1 ARG A 69 -1.600 14.970 -13.220 1.00 0.00 N ATOM 646 NH2 ARG A 69 -0.950 14.940 -11.040 1.00 0.00 N ATOM 0 H ARG A 69 -3.720 7.989 -14.728 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.656 9.889 -15.749 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.967 11.025 -14.054 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.830 9.657 -12.968 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.061 10.732 -12.083 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.177 10.190 -13.496 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.179 12.323 -14.107 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.547 12.604 -14.220 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.366 12.575 -11.490 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.740 14.504 -14.116 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.870 15.947 -13.105 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.579 14.444 -10.230 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.229 15.917 -10.956 1.00 0.00 H new ATOM 653 N ILE A 70 0.110 8.400 -15.130 1.00 0.00 N ATOM 654 CA ILE A 70 1.240 7.500 -14.900 1.00 0.00 C ATOM 655 C ILE A 70 2.180 8.140 -13.880 1.00 0.00 C ATOM 656 O ILE A 70 2.500 9.330 -13.960 1.00 0.00 O ATOM 657 CB ILE A 70 1.910 7.170 -16.240 1.00 0.00 C ATOM 658 CG1 ILE A 70 1.120 6.000 -16.850 1.00 0.00 C ATOM 659 CG2 ILE A 70 3.440 6.960 -16.150 1.00 0.00 C ATOM 660 CD1 ILE A 70 1.600 5.500 -18.210 1.00 0.00 C ATOM 0 H ILE A 70 0.336 9.217 -15.697 1.00 0.00 H new ATOM 0 HA ILE A 70 0.915 6.549 -14.478 1.00 0.00 H new ATOM 0 HB ILE A 70 1.861 8.026 -16.912 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.147 5.166 -16.149 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.077 6.303 -16.945 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.835 6.731 -17.140 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.910 7.868 -15.773 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.655 6.133 -15.474 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.968 4.675 -18.538 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.545 6.311 -18.936 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.631 5.156 -18.128 1.00 0.00 H new ATOM 662 N ILE A 71 2.690 7.270 -13.020 1.00 0.00 N ATOM 663 CA ILE A 71 3.610 7.700 -11.960 1.00 0.00 C ATOM 664 C ILE A 71 4.840 6.790 -11.990 1.00 0.00 C ATOM 665 O ILE A 71 4.760 5.610 -11.730 1.00 0.00 O ATOM 666 CB ILE A 71 2.930 7.650 -10.580 1.00 0.00 C ATOM 667 CG1 ILE A 71 1.530 8.280 -10.560 1.00 0.00 C ATOM 668 CG2 ILE A 71 3.860 8.310 -9.560 1.00 0.00 C ATOM 669 CD1 ILE A 71 1.460 9.740 -11.000 1.00 0.00 C ATOM 0 H ILE A 71 2.489 6.270 -13.029 1.00 0.00 H new ATOM 0 HA ILE A 71 3.908 8.734 -12.134 1.00 0.00 H new ATOM 0 HB ILE A 71 2.765 6.604 -10.321 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.877 7.692 -11.205 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.131 8.204 -9.549 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.395 8.285 -8.574 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.807 7.771 -9.529 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.041 9.345 -9.849 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.428 10.086 -10.949 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.080 10.349 -10.342 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.822 9.829 -12.024 1.00 0.00 H new ATOM 671 N THR A 72 5.920 7.330 -12.490 1.00 0.00 N ATOM 672 CA THR A 72 7.180 6.570 -12.560 1.00 0.00 C ATOM 673 C THR A 72 8.040 6.810 -11.320 1.00 0.00 C ATOM 674 O THR A 72 7.780 7.720 -10.530 1.00 0.00 O ATOM 675 CB THR A 72 7.920 6.980 -13.830 1.00 0.00 C ATOM 676 OG1 THR A 72 7.820 8.400 -13.870 1.00 0.00 O ATOM 677 CG2 THR A 72 7.300 6.320 -15.050 1.00 0.00 C ATOM 0 H THR A 72 5.973 8.281 -12.856 1.00 0.00 H new ATOM 0 HA THR A 72 6.962 5.502 -12.590 1.00 0.00 H new ATOM 0 HB THR A 72 8.963 6.662 -13.831 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.783 8.699 -14.802 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.843 6.626 -15.944 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.355 5.236 -14.945 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.257 6.624 -15.137 1.00 0.00 H new ATOM 680 N GLY A 73 9.010 5.920 -11.150 1.00 0.00 N ATOM 681 CA GLY A 73 9.940 5.940 -10.010 1.00 0.00 C ATOM 682 C GLY A 73 11.350 6.310 -10.470 1.00 0.00 C ATOM 683 O GLY A 73 11.610 6.520 -11.660 1.00 0.00 O ATOM 0 H GLY A 73 9.181 5.154 -11.801 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.595 6.657 -9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.954 4.962 -9.528 1.00 0.00 H new ATOM 685 N GLU A 74 12.280 6.200 -9.530 1.00 0.00 N ATOM 686 CA GLU A 74 13.710 6.410 -9.840 1.00 0.00 C ATOM 687 C GLU A 74 14.330 5.210 -10.580 1.00 0.00 C ATOM 688 O GLU A 74 15.440 5.290 -11.120 1.00 0.00 O ATOM 689 CB GLU A 74 14.490 6.680 -8.550 1.00 0.00 C ATOM 690 CG GLU A 74 15.880 7.270 -8.780 1.00 0.00 C ATOM 691 CD GLU A 74 15.960 8.730 -8.350 1.00 0.00 C ATOM 692 OE1 GLU A 74 15.010 9.490 -8.670 1.00 0.00 O ATOM 693 OE2 GLU A 74 16.940 9.060 -7.660 1.00 0.00 O ATOM 0 H GLU A 74 12.086 5.970 -8.555 1.00 0.00 H new ATOM 0 HA GLU A 74 13.774 7.273 -10.502 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.915 7.363 -7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.589 5.747 -7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.617 6.688 -8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.138 7.189 -9.836 1.00 0.00 H new ATOM 695 N ALA A 75 13.620 4.090 -10.530 1.00 0.00 N ATOM 696 CA ALA A 75 14.030 2.860 -11.220 1.00 0.00 C ATOM 697 C ALA A 75 13.090 2.630 -12.400 1.00 0.00 C ATOM 698 O ALA A 75 11.870 2.780 -12.310 1.00 0.00 O ATOM 699 CB ALA A 75 13.980 1.690 -10.240 1.00 0.00 C ATOM 0 H ALA A 75 12.745 4.002 -10.013 1.00 0.00 H new ATOM 0 HA ALA A 75 15.051 2.947 -11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.284 0.775 -10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.656 1.884 -9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.964 1.575 -9.863 1.00 0.00 H new ATOM 701 N THR A 76 13.710 2.350 -13.540 1.00 0.00 N ATOM 702 CA THR A 76 12.980 2.030 -14.780 1.00 0.00 C ATOM 703 C THR A 76 12.110 0.800 -14.530 1.00 0.00 C ATOM 704 O THR A 76 12.430 -0.040 -13.690 1.00 0.00 O ATOM 705 CB THR A 76 13.970 1.860 -15.950 1.00 0.00 C ATOM 706 OG1 THR A 76 14.490 3.170 -16.190 1.00 0.00 O ATOM 707 CG2 THR A 76 13.390 1.340 -17.270 1.00 0.00 C ATOM 0 H THR A 76 14.725 2.336 -13.640 1.00 0.00 H new ATOM 0 HA THR A 76 12.317 2.846 -15.068 1.00 0.00 H new ATOM 0 HB THR A 76 14.694 1.102 -15.652 1.00 0.00 H new ATOM 0 HG1 THR A 76 15.134 3.136 -16.928 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.185 1.265 -18.012 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.948 0.357 -17.111 1.00 0.00 H new ATOM 0 HG23 THR A 76 12.624 2.029 -17.627 1.00 0.00 H new ATOM 710 N GLN A 77 11.020 0.740 -15.290 1.00 0.00 N ATOM 711 CA GLN A 77 10.030 -0.370 -15.270 1.00 0.00 C ATOM 712 C GLN A 77 9.210 -0.320 -13.960 1.00 0.00 C ATOM 713 O GLN A 77 8.780 -1.320 -13.390 1.00 0.00 O ATOM 714 CB GLN A 77 10.680 -1.760 -15.450 1.00 0.00 C ATOM 715 CG GLN A 77 11.870 -1.720 -16.410 1.00 0.00 C ATOM 716 CD GLN A 77 12.340 -3.080 -16.870 1.00 0.00 C ATOM 717 OE1 GLN A 77 11.610 -3.800 -17.530 1.00 0.00 O ATOM 718 NE2 GLN A 77 13.620 -3.360 -16.700 1.00 0.00 N ATOM 0 H GLN A 77 10.781 1.472 -15.958 1.00 0.00 H new ATOM 0 HA GLN A 77 9.368 -0.226 -16.124 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.010 -2.134 -14.481 1.00 0.00 H new ATOM 0 HB3 GLN A 77 9.935 -2.462 -15.826 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.598 -1.127 -17.283 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.699 -1.207 -15.922 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.208 -2.740 -16.143 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.020 -4.196 -17.126 1.00 0.00 H new ATOM 722 N GLU A 78 9.020 0.910 -13.490 1.00 0.00 N ATOM 723 CA GLU A 78 8.280 1.200 -12.260 1.00 0.00 C ATOM 724 C GLU A 78 7.340 2.390 -12.430 1.00 0.00 C ATOM 725 O GLU A 78 7.550 3.480 -11.920 1.00 0.00 O ATOM 726 CB GLU A 78 9.220 1.400 -11.060 1.00 0.00 C ATOM 727 CG GLU A 78 9.850 0.080 -10.610 1.00 0.00 C ATOM 728 CD GLU A 78 9.770 -0.050 -9.090 1.00 0.00 C ATOM 729 OE1 GLU A 78 10.680 0.510 -8.430 1.00 0.00 O ATOM 730 OE2 GLU A 78 8.800 -0.670 -8.610 1.00 0.00 O ATOM 0 H GLU A 78 9.378 1.744 -13.956 1.00 0.00 H new ATOM 0 HA GLU A 78 7.665 0.325 -12.050 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.006 2.106 -11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.664 1.839 -10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.335 -0.757 -11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.890 0.036 -10.932 1.00 0.00 H new ATOM 732 N ASP A 79 6.320 2.140 -13.250 1.00 0.00 N ATOM 733 CA ASP A 79 5.260 3.130 -13.490 1.00 0.00 C ATOM 734 C ASP A 79 3.980 2.600 -12.860 1.00 0.00 C ATOM 735 O ASP A 79 3.480 1.580 -13.300 1.00 0.00 O ATOM 736 CB ASP A 79 5.100 3.380 -14.990 1.00 0.00 C ATOM 737 CG ASP A 79 3.740 3.940 -15.420 1.00 0.00 C ATOM 738 OD1 ASP A 79 3.050 4.550 -14.580 1.00 0.00 O ATOM 739 OD2 ASP A 79 3.370 3.700 -16.580 1.00 0.00 O ATOM 0 H ASP A 79 6.201 1.265 -13.760 1.00 0.00 H new ATOM 0 HA ASP A 79 5.511 4.090 -13.038 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.878 4.073 -15.311 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.271 2.442 -15.518 1.00 0.00 H new ATOM 741 N TYR A 80 3.360 3.450 -12.080 1.00 0.00 N ATOM 742 CA TYR A 80 2.070 3.210 -11.430 1.00 0.00 C ATOM 743 C TYR A 80 0.960 3.900 -12.210 1.00 0.00 C ATOM 744 O TYR A 80 1.050 5.070 -12.600 1.00 0.00 O ATOM 745 CB TYR A 80 2.140 3.810 -10.020 1.00 0.00 C ATOM 746 CG TYR A 80 3.470 3.470 -9.320 1.00 0.00 C ATOM 747 CD1 TYR A 80 3.570 2.250 -8.630 1.00 0.00 C ATOM 748 CD2 TYR A 80 4.530 4.400 -9.300 1.00 0.00 C ATOM 749 CE1 TYR A 80 4.740 1.990 -7.890 1.00 0.00 C ATOM 750 CE2 TYR A 80 5.700 4.130 -8.580 1.00 0.00 C ATOM 751 CZ TYR A 80 5.790 2.920 -7.880 1.00 0.00 C ATOM 752 OH TYR A 80 6.940 2.570 -7.250 1.00 0.00 O ATOM 0 H TYR A 80 3.746 4.369 -11.864 1.00 0.00 H new ATOM 0 HA TYR A 80 1.861 2.141 -11.391 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.027 4.892 -10.079 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.309 3.435 -9.423 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.768 1.528 -8.666 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.438 5.328 -9.845 1.00 0.00 H new ATOM 0 HE1 TYR A 80 4.829 1.072 -7.329 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.515 4.839 -8.565 1.00 0.00 H new ATOM 0 HH TYR A 80 7.586 3.303 -7.318 1.00 0.00 H new ATOM 755 N TYR A 81 -0.110 3.150 -12.420 1.00 0.00 N ATOM 756 CA TYR A 81 -1.260 3.630 -13.190 1.00 0.00 C ATOM 757 C TYR A 81 -2.450 3.800 -12.250 1.00 0.00 C ATOM 758 O TYR A 81 -2.840 2.880 -11.540 1.00 0.00 O ATOM 759 CB TYR A 81 -1.630 2.600 -14.260 1.00 0.00 C ATOM 760 CG TYR A 81 -2.390 3.230 -15.420 1.00 0.00 C ATOM 761 CD1 TYR A 81 -3.780 3.450 -15.320 1.00 0.00 C ATOM 762 CD2 TYR A 81 -1.680 3.520 -16.600 1.00 0.00 C ATOM 763 CE1 TYR A 81 -4.480 3.950 -16.430 1.00 0.00 C ATOM 764 CE2 TYR A 81 -2.380 4.010 -17.720 1.00 0.00 C ATOM 765 CZ TYR A 81 -3.770 4.200 -17.630 1.00 0.00 C ATOM 766 OH TYR A 81 -4.450 4.620 -18.730 1.00 0.00 O ATOM 0 H TYR A 81 -0.212 2.198 -12.067 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.008 4.579 -13.662 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.723 2.126 -14.636 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.238 1.814 -13.812 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.301 3.236 -14.398 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.612 3.369 -16.646 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.541 4.141 -16.370 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.855 4.237 -18.636 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.823 4.749 -19.472 1.00 0.00 H new ATOM 769 N THR A 82 -3.000 5.000 -12.330 1.00 0.00 N ATOM 770 CA THR A 82 -4.190 5.390 -11.550 1.00 0.00 C ATOM 771 C THR A 82 -5.490 5.110 -12.310 1.00 0.00 C ATOM 772 O THR A 82 -6.300 4.260 -11.950 1.00 0.00 O ATOM 773 CB THR A 82 -4.110 6.830 -10.960 1.00 0.00 C ATOM 774 OG1 THR A 82 -5.340 7.540 -11.040 1.00 0.00 O ATOM 775 CG2 THR A 82 -2.950 7.690 -11.450 1.00 0.00 C ATOM 0 H THR A 82 -2.643 5.740 -12.934 1.00 0.00 H new ATOM 0 HA THR A 82 -4.202 4.743 -10.673 1.00 0.00 H new ATOM 0 HB THR A 82 -3.894 6.637 -9.909 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.954 7.209 -10.352 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.996 8.669 -10.973 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.006 7.207 -11.197 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.017 7.810 -12.531 1.00 0.00 H new ATOM 778 N GLY A 83 -5.660 5.890 -13.360 1.00 0.00 N ATOM 779 CA GLY A 83 -6.880 5.870 -14.180 1.00 0.00 C ATOM 780 C GLY A 83 -8.020 6.710 -13.570 1.00 0.00 C ATOM 781 O GLY A 83 -9.010 6.980 -14.230 1.00 0.00 O ATOM 0 H GLY A 83 -4.961 6.561 -13.678 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.649 6.247 -15.176 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.216 4.840 -14.299 1.00 0.00 H new ATOM 783 N ASP A 84 -7.840 7.130 -12.320 1.00 0.00 N ATOM 784 CA ASP A 84 -8.810 8.020 -11.650 1.00 0.00 C ATOM 785 C ASP A 84 -8.260 9.430 -11.400 1.00 0.00 C ATOM 786 O ASP A 84 -8.880 10.200 -10.660 1.00 0.00 O ATOM 787 CB ASP A 84 -9.240 7.470 -10.300 1.00 0.00 C ATOM 788 CG ASP A 84 -10.110 6.230 -10.370 1.00 0.00 C ATOM 789 OD1 ASP A 84 -11.330 6.420 -10.560 1.00 0.00 O ATOM 790 OD2 ASP A 84 -9.530 5.150 -10.180 1.00 0.00 O ATOM 0 H ASP A 84 -7.037 6.875 -11.745 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.654 8.072 -12.338 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.349 7.240 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.782 8.248 -9.762 1.00 0.00 H new ATOM 792 N HIS A 85 -7.070 9.680 -11.930 1.00 0.00 N ATOM 793 CA HIS A 85 -6.310 10.940 -11.800 1.00 0.00 C ATOM 794 C HIS A 85 -5.450 10.990 -10.560 1.00 0.00 C ATOM 795 O HIS A 85 -4.510 11.770 -10.590 1.00 0.00 O ATOM 796 CB HIS A 85 -7.220 12.180 -11.880 1.00 0.00 C ATOM 797 CG HIS A 85 -6.500 13.480 -12.180 1.00 0.00 C ATOM 798 ND1 HIS A 85 -6.290 14.430 -11.290 1.00 0.00 N ATOM 799 CD2 HIS A 85 -6.100 13.890 -13.370 1.00 0.00 C ATOM 800 CE1 HIS A 85 -5.750 15.460 -11.920 1.00 0.00 C ATOM 801 NE2 HIS A 85 -5.630 15.130 -13.200 1.00 0.00 N ATOM 0 H HIS A 85 -6.576 8.985 -12.490 1.00 0.00 H new ATOM 0 HA HIS A 85 -5.636 10.959 -12.657 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -7.972 12.012 -12.651 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -7.751 12.285 -10.934 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.144 13.335 -14.295 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -5.459 16.400 -11.474 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.243 15.724 -13.933 1.00 0.00 H new ATOM 805 N TYR A 86 -5.760 10.090 -9.610 1.00 0.00 N ATOM 806 CA TYR A 86 -5.150 9.960 -8.280 1.00 0.00 C ATOM 807 C TYR A 86 -5.990 9.180 -7.260 1.00 0.00 C ATOM 808 O TYR A 86 -6.270 9.650 -6.160 1.00 0.00 O ATOM 809 CB TYR A 86 -4.810 11.340 -7.720 1.00 0.00 C ATOM 810 CG TYR A 86 -3.340 11.710 -7.910 1.00 0.00 C ATOM 811 CD1 TYR A 86 -2.490 11.030 -8.820 1.00 0.00 C ATOM 812 CD2 TYR A 86 -2.890 12.820 -7.160 1.00 0.00 C ATOM 813 CE1 TYR A 86 -1.190 11.490 -9.040 1.00 0.00 C ATOM 814 CE2 TYR A 86 -1.580 13.280 -7.360 1.00 0.00 C ATOM 815 CZ TYR A 86 -0.770 12.610 -8.310 1.00 0.00 C ATOM 816 OH TYR A 86 0.420 13.130 -8.640 1.00 0.00 O ATOM 0 H TYR A 86 -6.488 9.392 -9.762 1.00 0.00 H new ATOM 0 HA TYR A 86 -4.247 9.370 -8.434 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.434 12.089 -8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.052 11.366 -6.658 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.849 10.156 -9.343 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.541 13.304 -6.447 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -0.534 11.002 -9.745 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.198 14.124 -6.804 1.00 0.00 H new ATOM 0 HH TYR A 86 0.986 13.184 -7.842 1.00 0.00 H new ATOM 819 N ALA A 87 -6.430 7.990 -7.650 1.00 0.00 N ATOM 820 CA ALA A 87 -7.190 7.150 -6.700 1.00 0.00 C ATOM 821 C ALA A 87 -6.520 5.800 -6.430 1.00 0.00 C ATOM 822 O ALA A 87 -6.450 5.350 -5.300 1.00 0.00 O ATOM 823 CB ALA A 87 -8.640 6.930 -7.100 1.00 0.00 C ATOM 0 H ALA A 87 -6.288 7.587 -8.576 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.187 7.730 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.132 6.305 -6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.150 7.891 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -8.679 6.436 -8.071 1.00 0.00 H new ATOM 825 N THR A 88 -6.070 5.170 -7.510 1.00 0.00 N ATOM 826 CA THR A 88 -5.440 3.840 -7.460 1.00 0.00 C ATOM 827 C THR A 88 -4.100 3.910 -8.170 1.00 0.00 C ATOM 828 O THR A 88 -3.730 4.970 -8.660 1.00 0.00 O ATOM 829 CB THR A 88 -6.350 2.850 -8.170 1.00 0.00 C ATOM 830 OG1 THR A 88 -6.690 3.430 -9.420 1.00 0.00 O ATOM 831 CG2 THR A 88 -7.610 2.540 -7.360 1.00 0.00 C ATOM 0 H THR A 88 -6.128 5.561 -8.450 1.00 0.00 H new ATOM 0 HA THR A 88 -5.287 3.522 -6.429 1.00 0.00 H new ATOM 0 HB THR A 88 -5.834 1.899 -8.299 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.943 3.322 -10.045 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.229 1.829 -7.907 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.328 2.111 -6.398 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.173 3.459 -7.196 1.00 0.00 H new ATOM 834 N PHE A 89 -3.300 2.870 -8.010 1.00 0.00 N ATOM 835 CA PHE A 89 -1.910 2.840 -8.520 1.00 0.00 C ATOM 836 C PHE A 89 -1.450 1.400 -8.640 1.00 0.00 C ATOM 837 O PHE A 89 -1.410 0.660 -7.650 1.00 0.00 O ATOM 838 CB PHE A 89 -0.960 3.580 -7.570 1.00 0.00 C ATOM 839 CG PHE A 89 -1.280 5.070 -7.400 1.00 0.00 C ATOM 840 CD1 PHE A 89 -0.750 6.010 -8.310 1.00 0.00 C ATOM 841 CD2 PHE A 89 -2.140 5.480 -6.350 1.00 0.00 C ATOM 842 CE1 PHE A 89 -1.100 7.370 -8.180 1.00 0.00 C ATOM 843 CE2 PHE A 89 -2.510 6.830 -6.230 1.00 0.00 C ATOM 844 CZ PHE A 89 -1.980 7.760 -7.150 1.00 0.00 C ATOM 0 H PHE A 89 -3.580 2.017 -7.526 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.893 3.331 -9.493 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.993 3.098 -6.593 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.060 3.478 -7.941 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.083 5.691 -9.098 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.511 4.754 -5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.698 8.105 -8.862 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.186 7.149 -5.450 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.257 8.800 -7.062 1.00 0.00 H new ATOM 846 N SER A 90 -1.200 1.030 -9.880 1.00 0.00 N ATOM 847 CA SER A 90 -0.770 -0.330 -10.220 1.00 0.00 C ATOM 848 C SER A 90 0.380 -0.290 -11.210 1.00 0.00 C ATOM 849 O SER A 90 0.220 0.300 -12.280 1.00 0.00 O ATOM 850 CB SER A 90 -1.910 -1.180 -10.760 1.00 0.00 C ATOM 851 OG SER A 90 -2.920 -1.320 -9.750 1.00 0.00 O ATOM 0 H SER A 90 -1.286 1.653 -10.683 1.00 0.00 H new ATOM 0 HA SER A 90 -0.431 -0.800 -9.297 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.333 -0.717 -11.651 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.538 -2.161 -11.057 1.00 0.00 H new ATOM 0 HG SER A 90 -3.656 -1.866 -10.097 1.00 0.00 H new ATOM 854 N LEU A 91 1.550 -0.740 -10.760 1.00 0.00 N ATOM 855 CA LEU A 91 2.760 -0.830 -11.610 1.00 0.00 C ATOM 856 C LEU A 91 2.420 -1.340 -13.020 1.00 0.00 C ATOM 857 O LEU A 91 1.390 -1.940 -13.240 1.00 0.00 O ATOM 858 CB LEU A 91 3.850 -1.720 -11.000 1.00 0.00 C ATOM 859 CG LEU A 91 4.660 -1.000 -9.930 1.00 0.00 C ATOM 860 CD1 LEU A 91 5.640 -1.940 -9.230 1.00 0.00 C ATOM 861 CD2 LEU A 91 5.460 0.130 -10.560 1.00 0.00 C ATOM 0 H LEU A 91 1.697 -1.054 -9.801 1.00 0.00 H new ATOM 0 HA LEU A 91 3.150 0.186 -11.675 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.389 -2.608 -10.566 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.519 -2.062 -11.789 1.00 0.00 H new ATOM 0 HG LEU A 91 3.952 -0.615 -9.196 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.198 -1.387 -8.474 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.089 -2.751 -8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.333 -2.354 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.037 0.641 -9.789 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.138 -0.278 -11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.779 0.838 -11.033 1.00 0.00 H new ATOM 863 N ILE A 92 3.300 -1.130 -13.980 1.00 0.00 N ATOM 864 CA ILE A 92 3.060 -1.590 -15.350 1.00 0.00 C ATOM 865 C ILE A 92 3.950 -2.800 -15.610 1.00 0.00 C ATOM 866 O ILE A 92 5.170 -2.740 -15.490 1.00 0.00 O ATOM 867 CB ILE A 92 3.260 -0.410 -16.310 1.00 0.00 C ATOM 868 CG1 ILE A 92 1.980 0.380 -16.500 1.00 0.00 C ATOM 869 CG2 ILE A 92 3.670 -0.860 -17.710 1.00 0.00 C ATOM 870 CD1 ILE A 92 1.550 1.380 -15.430 1.00 0.00 C ATOM 0 H ILE A 92 4.188 -0.646 -13.845 1.00 0.00 H new ATOM 0 HA ILE A 92 2.036 -1.927 -15.512 1.00 0.00 H new ATOM 0 HB ILE A 92 4.043 0.192 -15.848 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.069 0.925 -17.440 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.168 -0.337 -16.622 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.799 0.013 -18.350 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.609 -1.411 -17.655 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.896 -1.504 -18.127 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.615 1.853 -15.729 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.407 0.860 -14.483 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.321 2.142 -15.313 1.00 0.00 H new ATOM 872 N ASP A 93 3.300 -3.840 -16.110 1.00 0.00 N ATOM 873 CA ASP A 93 4.020 -5.070 -16.480 1.00 0.00 C ATOM 874 C ASP A 93 4.170 -5.090 -17.990 1.00 0.00 C ATOM 875 O ASP A 93 3.290 -5.590 -18.670 1.00 0.00 O ATOM 876 CB ASP A 93 3.230 -6.270 -15.970 1.00 0.00 C ATOM 877 CG ASP A 93 4.090 -7.220 -15.130 1.00 0.00 C ATOM 878 OD1 ASP A 93 5.010 -6.720 -14.450 1.00 0.00 O ATOM 879 OD2 ASP A 93 3.790 -8.430 -15.180 1.00 0.00 O ATOM 0 H ASP A 93 2.293 -3.868 -16.271 1.00 0.00 H new ATOM 0 HA ASP A 93 5.013 -5.108 -16.033 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.389 -5.920 -15.371 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.814 -6.814 -16.818 1.00 0.00 H new ATOM 881 N GLN A 94 5.290 -4.560 -18.490 1.00 0.00 N ATOM 882 CA GLN A 94 5.550 -4.520 -19.950 1.00 0.00 C ATOM 883 C GLN A 94 5.480 -5.910 -20.590 1.00 0.00 C ATOM 884 O GLN A 94 4.840 -6.100 -21.630 1.00 0.00 O ATOM 885 CB GLN A 94 6.920 -3.910 -20.260 1.00 0.00 C ATOM 886 CG GLN A 94 7.150 -2.600 -19.500 1.00 0.00 C ATOM 887 CD GLN A 94 8.300 -2.790 -18.520 1.00 0.00 C ATOM 888 OE1 GLN A 94 8.250 -3.590 -17.590 1.00 0.00 O ATOM 889 NE2 GLN A 94 9.350 -2.040 -18.740 1.00 0.00 N ATOM 0 H GLN A 94 6.031 -4.154 -17.919 1.00 0.00 H new ATOM 0 HA GLN A 94 4.764 -3.895 -20.374 1.00 0.00 H new ATOM 0 HB2 GLN A 94 7.702 -4.623 -19.998 1.00 0.00 H new ATOM 0 HB3 GLN A 94 7.001 -3.727 -21.331 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.380 -1.795 -20.198 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.245 -2.310 -18.966 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.355 -1.386 -19.523 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.163 -2.109 -18.128 1.00 0.00 H new ATOM 893 N THR A 95 5.980 -6.890 -19.840 1.00 0.00 N ATOM 894 CA THR A 95 5.930 -8.320 -20.190 1.00 0.00 C ATOM 895 C THR A 95 4.500 -8.830 -20.400 1.00 0.00 C ATOM 896 O THR A 95 4.150 -9.410 -21.420 1.00 0.00 O ATOM 897 CB THR A 95 6.660 -9.190 -19.140 1.00 0.00 C ATOM 898 OG1 THR A 95 6.470 -10.560 -19.510 1.00 0.00 O ATOM 899 CG2 THR A 95 6.230 -8.960 -17.680 1.00 0.00 C ATOM 0 H THR A 95 6.444 -6.714 -18.949 1.00 0.00 H new ATOM 0 HA THR A 95 6.452 -8.412 -21.142 1.00 0.00 H new ATOM 0 HB THR A 95 7.710 -8.899 -19.153 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.924 -11.140 -18.863 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.801 -9.618 -17.025 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.417 -7.922 -17.405 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.167 -9.177 -17.575 1.00 0.00 H new ATOM 902 N CYS A 96 3.650 -8.520 -19.430 1.00 0.00 N ATOM 903 CA CYS A 96 2.230 -8.920 -19.490 1.00 0.00 C ATOM 904 C CYS A 96 1.430 -7.890 -20.310 1.00 0.00 C ATOM 905 O CYS A 96 0.430 -8.250 -20.950 1.00 0.00 O ATOM 906 CB CYS A 96 1.720 -9.090 -18.060 1.00 0.00 C ATOM 907 SG CYS A 96 0.080 -9.900 -17.990 1.00 0.00 S ATOM 908 OXT CYS A 96 1.820 -6.710 -20.300 1.00 0.00 O ATOM 0 H CYS A 96 3.906 -7.997 -18.593 1.00 0.00 H new ATOM 0 HA CYS A 96 2.105 -9.874 -20.002 1.00 0.00 H new ATOM 0 HB2 CYS A 96 2.437 -9.680 -17.490 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.659 -8.113 -17.581 1.00 0.00 H new