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 52 TYR OH : rot 30:sc= -0.794 USER MOD Set 1.2: A 80 TYR OH : rot 15:sc= -0.447 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 USER MOD Single : A 18 THR OG1 : rot -49:sc= -2.5! USER MOD Single : A 20 ASN : amide:sc=-0.00869 X(o=-0.0087,f=-0.18) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -130:sc= -0.679 USER MOD Single : A 31 SER OG : rot -98:sc= 0.306 USER MOD Single : A 32 GLN : amide:sc= -0.519 K(o=-0.52,f=-1.3) USER MOD Single : A 38 GLN : amide:sc= -0.48 K(o=-0.48,f=-1.6) USER MOD Single : A 39 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.6!) USER MOD Single : A 42 SER OG : rot -50:sc= 0.431 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= -0.731 K(o=-0.73,f=-1.5) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -160:sc= -1 USER MOD Single : A 59 THR OG1 : rot -13:sc= -0.629! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.311 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 72 THR OG1 : rot -107:sc= -0.162! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00887 X(o=-0.0089,f=0) USER MOD Single : A 81 TYR OH : rot -172:sc= -1.88 USER MOD Single : A 82 THR OG1 : rot 58:sc= 0.7 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -75:sc= -0.141 USER MOD Single : A 88 THR OG1 : rot 86:sc= 0.175 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N VAL A 2 1.930 -1.030 -3.390 1.00 0.00 N ATOM 13 CA VAL A 2 1.470 -1.950 -4.440 1.00 0.00 C ATOM 14 C VAL A 2 1.970 -3.360 -4.080 1.00 0.00 C ATOM 15 O VAL A 2 3.110 -3.520 -3.630 1.00 0.00 O ATOM 16 CB VAL A 2 2.030 -1.520 -5.800 1.00 0.00 C ATOM 17 CG1 VAL A 2 1.270 -2.190 -6.930 1.00 0.00 C ATOM 18 CG2 VAL A 2 1.840 -0.040 -6.050 1.00 0.00 C ATOM 0 HA VAL A 2 0.382 -1.939 -4.506 1.00 0.00 H new ATOM 0 HB VAL A 2 3.085 -1.793 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.684 -1.871 -7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.361 -3.272 -6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.218 -1.909 -6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.252 0.220 -7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 2 0.777 0.199 -6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.355 0.529 -5.276 1.00 0.00 H new ATOM 20 N SER A 3 1.140 -4.350 -4.370 1.00 0.00 N ATOM 21 CA SER A 3 1.500 -5.770 -4.160 1.00 0.00 C ATOM 22 C SER A 3 2.380 -6.350 -5.280 1.00 0.00 C ATOM 23 O SER A 3 2.800 -7.510 -5.220 1.00 0.00 O ATOM 24 CB SER A 3 0.270 -6.650 -3.960 1.00 0.00 C ATOM 25 OG SER A 3 -0.200 -6.510 -2.620 1.00 0.00 O ATOM 0 H SER A 3 0.205 -4.209 -4.754 1.00 0.00 H new ATOM 0 HA SER A 3 2.091 -5.777 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.513 -6.365 -4.663 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.518 -7.692 -4.163 1.00 0.00 H new ATOM 0 HG SER A 3 -0.991 -7.073 -2.490 1.00 0.00 H new ATOM 28 N GLY A 4 2.630 -5.530 -6.290 1.00 0.00 N ATOM 29 CA GLY A 4 3.440 -5.880 -7.470 1.00 0.00 C ATOM 30 C GLY A 4 2.770 -5.340 -8.730 1.00 0.00 C ATOM 31 O GLY A 4 1.810 -4.590 -8.670 1.00 0.00 O ATOM 0 H GLY A 4 2.270 -4.576 -6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.442 -5.463 -7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.550 -6.962 -7.540 1.00 0.00 H new ATOM 33 N THR A 5 3.420 -5.600 -9.850 1.00 0.00 N ATOM 34 CA THR A 5 2.950 -5.150 -11.170 1.00 0.00 C ATOM 35 C THR A 5 2.020 -6.210 -11.780 1.00 0.00 C ATOM 36 O THR A 5 1.740 -7.250 -11.190 1.00 0.00 O ATOM 37 CB THR A 5 4.190 -4.840 -12.030 1.00 0.00 C ATOM 38 OG1 THR A 5 5.170 -4.190 -11.210 1.00 0.00 O ATOM 39 CG2 THR A 5 3.910 -3.900 -13.200 1.00 0.00 C ATOM 0 H THR A 5 4.291 -6.129 -9.882 1.00 0.00 H new ATOM 0 HA THR A 5 2.355 -4.239 -11.103 1.00 0.00 H new ATOM 0 HB THR A 5 4.526 -5.796 -12.431 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.965 -3.989 -11.747 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.831 -3.729 -13.758 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.165 -4.349 -13.857 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.534 -2.950 -12.821 1.00 0.00 H new ATOM 42 N VAL A 6 1.440 -5.870 -12.920 1.00 0.00 N ATOM 43 CA VAL A 6 0.460 -6.700 -13.630 1.00 0.00 C ATOM 44 C VAL A 6 0.710 -6.540 -15.130 1.00 0.00 C ATOM 45 O VAL A 6 0.770 -5.440 -15.680 1.00 0.00 O ATOM 46 CB VAL A 6 -0.970 -6.350 -13.150 1.00 0.00 C ATOM 47 CG1 VAL A 6 -1.660 -5.200 -13.870 1.00 0.00 C ATOM 48 CG2 VAL A 6 -1.870 -7.590 -13.240 1.00 0.00 C ATOM 0 H VAL A 6 1.638 -4.989 -13.395 1.00 0.00 H new ATOM 0 HA VAL A 6 0.569 -7.762 -13.408 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.828 -6.011 -12.124 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.653 -5.049 -13.447 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.072 -4.290 -13.749 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.749 -5.436 -14.930 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.874 -7.336 -12.901 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.912 -7.935 -14.273 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.463 -8.381 -12.610 1.00 0.00 H new ATOM 50 N CYS A 7 1.160 -7.650 -15.680 1.00 0.00 N ATOM 51 CA CYS A 7 1.410 -7.730 -17.120 1.00 0.00 C ATOM 52 C CYS A 7 0.170 -7.270 -17.890 1.00 0.00 C ATOM 53 O CYS A 7 -0.950 -7.610 -17.520 1.00 0.00 O ATOM 54 CB CYS A 7 1.760 -9.170 -17.510 1.00 0.00 C ATOM 55 SG CYS A 7 3.390 -9.630 -16.820 1.00 0.00 S ATOM 0 H CYS A 7 1.361 -8.506 -15.164 1.00 0.00 H new ATOM 0 HA CYS A 7 2.248 -7.080 -17.372 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.994 -9.852 -17.140 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.775 -9.267 -18.596 1.00 0.00 H new ATOM 57 N LEU A 8 0.400 -6.420 -18.890 1.00 0.00 N ATOM 58 CA LEU A 8 -0.730 -5.890 -19.680 1.00 0.00 C ATOM 59 C LEU A 8 -1.540 -7.010 -20.340 1.00 0.00 C ATOM 60 O LEU A 8 -2.770 -6.970 -20.320 1.00 0.00 O ATOM 61 CB LEU A 8 -0.250 -4.920 -20.760 1.00 0.00 C ATOM 62 CG LEU A 8 -1.110 -3.650 -20.940 1.00 0.00 C ATOM 63 CD1 LEU A 8 -1.160 -3.340 -22.430 1.00 0.00 C ATOM 64 CD2 LEU A 8 -2.560 -3.710 -20.410 1.00 0.00 C ATOM 0 H LEU A 8 1.322 -6.088 -19.172 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.372 -5.359 -18.977 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.770 -4.617 -20.525 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.213 -5.451 -21.711 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.627 -2.883 -20.335 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.761 -2.446 -22.596 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.149 -3.171 -22.801 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.606 -4.181 -22.962 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.056 -2.757 -20.597 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.101 -4.507 -20.920 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.548 -3.908 -19.338 1.00 0.00 H new ATOM 66 N SER A 9 -0.850 -8.090 -20.680 1.00 0.00 N ATOM 67 CA SER A 9 -1.470 -9.330 -21.200 1.00 0.00 C ATOM 68 C SER A 9 -2.350 -10.040 -20.160 1.00 0.00 C ATOM 69 O SER A 9 -3.350 -10.680 -20.490 1.00 0.00 O ATOM 70 CB SER A 9 -0.380 -10.290 -21.690 1.00 0.00 C ATOM 71 OG SER A 9 -0.990 -11.440 -22.280 1.00 0.00 O ATOM 0 H SER A 9 0.166 -8.144 -20.607 1.00 0.00 H new ATOM 0 HA SER A 9 -2.119 -9.038 -22.026 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.260 -9.790 -22.418 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.257 -10.589 -20.858 1.00 0.00 H new ATOM 0 HG SER A 9 -0.294 -12.054 -22.595 1.00 0.00 H new ATOM 74 N ALA A 10 -2.000 -9.860 -18.880 1.00 0.00 N ATOM 75 CA ALA A 10 -2.780 -10.370 -17.740 1.00 0.00 C ATOM 76 C ALA A 10 -4.020 -9.500 -17.460 1.00 0.00 C ATOM 77 O ALA A 10 -4.960 -9.920 -16.790 1.00 0.00 O ATOM 78 CB ALA A 10 -1.880 -10.420 -16.500 1.00 0.00 C ATOM 0 H ALA A 10 -1.160 -9.352 -18.602 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.135 -11.371 -17.986 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.451 -10.797 -15.651 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.034 -11.081 -16.691 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.514 -9.418 -16.275 1.00 0.00 H new ATOM 80 N LEU A 11 -4.000 -8.280 -17.980 1.00 0.00 N ATOM 81 CA LEU A 11 -5.120 -7.350 -17.890 1.00 0.00 C ATOM 82 C LEU A 11 -6.160 -7.520 -19.010 1.00 0.00 C ATOM 83 O LEU A 11 -5.870 -8.180 -20.010 1.00 0.00 O ATOM 84 CB LEU A 11 -4.580 -5.920 -17.870 1.00 0.00 C ATOM 85 CG LEU A 11 -4.150 -5.500 -16.470 1.00 0.00 C ATOM 86 CD1 LEU A 11 -4.090 -3.990 -16.560 1.00 0.00 C ATOM 87 CD2 LEU A 11 -5.120 -5.840 -15.330 1.00 0.00 C ATOM 0 H LEU A 11 -3.196 -7.903 -18.482 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.650 -7.573 -16.964 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.732 -5.842 -18.550 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.346 -5.236 -18.236 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.229 -6.027 -16.222 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.787 -3.580 -15.597 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.366 -3.699 -17.322 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.073 -3.602 -16.827 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.706 -5.492 -14.384 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.077 -5.350 -15.509 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.267 -6.919 -15.287 1.00 0.00 H new ATOM 89 N PRO A 12 -7.380 -7.000 -18.810 1.00 0.00 N ATOM 90 CA PRO A 12 -8.460 -7.120 -19.810 1.00 0.00 C ATOM 91 C PRO A 12 -8.190 -6.270 -21.080 1.00 0.00 C ATOM 92 O PRO A 12 -7.280 -5.440 -21.090 1.00 0.00 O ATOM 93 CB PRO A 12 -9.710 -6.730 -19.020 1.00 0.00 C ATOM 94 CG PRO A 12 -9.240 -5.740 -17.980 1.00 0.00 C ATOM 95 CD PRO A 12 -7.880 -6.320 -17.590 1.00 0.00 C ATOM 0 HA PRO A 12 -8.559 -8.119 -20.234 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.463 -6.287 -19.671 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.167 -7.602 -18.553 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.154 -4.732 -18.385 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.920 -5.685 -17.130 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.195 -5.535 -17.269 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.974 -7.020 -16.760 1.00 0.00 H new ATOM 96 N PRO A 13 -8.990 -6.440 -22.150 1.00 0.00 N ATOM 97 CA PRO A 13 -8.830 -5.660 -23.400 1.00 0.00 C ATOM 98 C PRO A 13 -9.220 -4.180 -23.240 1.00 0.00 C ATOM 99 O PRO A 13 -8.510 -3.280 -23.680 1.00 0.00 O ATOM 100 CB PRO A 13 -9.690 -6.390 -24.430 1.00 0.00 C ATOM 101 CG PRO A 13 -10.780 -7.070 -23.610 1.00 0.00 C ATOM 102 CD PRO A 13 -10.100 -7.410 -22.290 1.00 0.00 C ATOM 0 HA PRO A 13 -7.786 -5.612 -23.709 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.115 -5.696 -25.155 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.104 -7.118 -24.991 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.634 -6.410 -23.459 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.153 -7.965 -24.108 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.799 -7.329 -21.457 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.727 -8.434 -22.294 1.00 0.00 H new ATOM 103 N GLU A 14 -10.230 -3.960 -22.410 1.00 0.00 N ATOM 104 CA GLU A 14 -10.690 -2.610 -22.040 1.00 0.00 C ATOM 105 C GLU A 14 -9.750 -1.870 -21.070 1.00 0.00 C ATOM 106 O GLU A 14 -9.790 -0.650 -20.960 1.00 0.00 O ATOM 107 CB GLU A 14 -12.100 -2.700 -21.480 1.00 0.00 C ATOM 108 CG GLU A 14 -12.270 -3.650 -20.280 1.00 0.00 C ATOM 109 CD GLU A 14 -12.870 -4.980 -20.710 1.00 0.00 C ATOM 110 OE1 GLU A 14 -13.710 -4.990 -21.640 1.00 0.00 O ATOM 111 OE2 GLU A 14 -12.390 -6.000 -20.170 1.00 0.00 O ATOM 0 H GLU A 14 -10.762 -4.710 -21.967 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.684 -2.008 -22.949 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.419 -1.702 -21.181 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.770 -3.023 -22.277 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.302 -3.821 -19.808 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.911 -3.184 -19.532 1.00 0.00 H new ATOM 113 N ALA A 15 -8.770 -2.610 -20.550 1.00 0.00 N ATOM 114 CA ALA A 15 -7.680 -2.050 -19.710 1.00 0.00 C ATOM 115 C ALA A 15 -6.770 -1.120 -20.500 1.00 0.00 C ATOM 116 O ALA A 15 -6.540 0.020 -20.090 1.00 0.00 O ATOM 117 CB ALA A 15 -6.850 -3.150 -19.050 1.00 0.00 C ATOM 0 H ALA A 15 -8.699 -3.617 -20.692 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.168 -1.468 -18.928 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.064 -2.699 -18.445 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.493 -3.759 -18.414 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.401 -3.778 -19.819 1.00 0.00 H new ATOM 119 N THR A 16 -6.480 -1.530 -21.740 1.00 0.00 N ATOM 120 CA THR A 16 -5.690 -0.730 -22.690 1.00 0.00 C ATOM 121 C THR A 16 -6.380 0.600 -23.040 1.00 0.00 C ATOM 122 O THR A 16 -5.720 1.610 -23.260 1.00 0.00 O ATOM 123 CB THR A 16 -5.280 -1.560 -23.920 1.00 0.00 C ATOM 124 OG1 THR A 16 -3.850 -1.600 -23.900 1.00 0.00 O ATOM 125 CG2 THR A 16 -5.770 -1.090 -25.300 1.00 0.00 C ATOM 0 H THR A 16 -6.786 -2.427 -22.116 1.00 0.00 H new ATOM 0 HA THR A 16 -4.760 -0.448 -22.197 1.00 0.00 H new ATOM 0 HB THR A 16 -5.771 -2.528 -23.820 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.527 -2.121 -24.665 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.403 -1.771 -26.068 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.860 -1.079 -25.315 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.395 -0.086 -25.497 1.00 0.00 H new ATOM 128 N ASP A 17 -7.720 0.550 -23.060 1.00 0.00 N ATOM 129 CA ASP A 17 -8.560 1.710 -23.410 1.00 0.00 C ATOM 130 C ASP A 17 -8.190 2.900 -22.530 1.00 0.00 C ATOM 131 O ASP A 17 -7.710 3.910 -23.030 1.00 0.00 O ATOM 132 CB ASP A 17 -10.030 1.360 -23.170 1.00 0.00 C ATOM 133 CG ASP A 17 -10.990 2.200 -24.020 1.00 0.00 C ATOM 134 OD1 ASP A 17 -10.870 3.440 -23.990 1.00 0.00 O ATOM 135 OD2 ASP A 17 -11.810 1.550 -24.690 1.00 0.00 O ATOM 0 H ASP A 17 -8.252 -0.291 -22.835 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.400 1.964 -24.458 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.187 0.304 -23.390 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.265 1.505 -22.116 1.00 0.00 H new ATOM 137 N THR A 18 -8.140 2.650 -21.240 1.00 0.00 N ATOM 138 CA THR A 18 -7.770 3.670 -20.250 1.00 0.00 C ATOM 139 C THR A 18 -6.340 4.140 -20.410 1.00 0.00 C ATOM 140 O THR A 18 -6.140 5.330 -20.490 1.00 0.00 O ATOM 141 CB THR A 18 -7.930 3.110 -18.870 1.00 0.00 C ATOM 142 OG1 THR A 18 -9.090 2.300 -18.900 1.00 0.00 O ATOM 143 CG2 THR A 18 -8.270 4.250 -17.950 1.00 0.00 C ATOM 0 H THR A 18 -8.352 1.738 -20.835 1.00 0.00 H new ATOM 0 HA THR A 18 -8.430 4.523 -20.409 1.00 0.00 H new ATOM 0 HB THR A 18 -7.034 2.576 -18.554 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.826 2.798 -19.313 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.393 3.874 -16.934 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.466 4.985 -17.969 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.198 4.718 -18.278 1.00 0.00 H new ATOM 146 N LEU A 19 -5.400 3.220 -20.510 1.00 0.00 N ATOM 147 CA LEU A 19 -3.980 3.560 -20.760 1.00 0.00 C ATOM 148 C LEU A 19 -3.820 4.480 -21.980 1.00 0.00 C ATOM 149 O LEU A 19 -3.130 5.500 -21.890 1.00 0.00 O ATOM 150 CB LEU A 19 -3.140 2.280 -20.960 1.00 0.00 C ATOM 151 CG LEU A 19 -3.480 1.140 -19.980 1.00 0.00 C ATOM 152 CD1 LEU A 19 -2.410 0.060 -20.100 1.00 0.00 C ATOM 153 CD2 LEU A 19 -3.550 1.590 -18.520 1.00 0.00 C ATOM 0 H LEU A 19 -5.579 2.220 -20.424 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.619 4.095 -19.882 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.282 1.922 -21.980 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.085 2.532 -20.855 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.470 0.772 -20.251 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.636 -0.755 -19.412 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.391 -0.322 -21.121 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.436 0.483 -19.853 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.793 0.736 -17.887 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.586 2.001 -18.219 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.320 2.354 -18.411 1.00 0.00 H new ATOM 155 N ASN A 20 -4.690 4.270 -22.970 1.00 0.00 N ATOM 156 CA ASN A 20 -4.800 5.130 -24.150 1.00 0.00 C ATOM 157 C ASN A 20 -5.460 6.470 -23.830 1.00 0.00 C ATOM 158 O ASN A 20 -4.880 7.500 -24.100 1.00 0.00 O ATOM 159 CB ASN A 20 -5.660 4.440 -25.210 1.00 0.00 C ATOM 160 CG ASN A 20 -4.900 4.270 -26.510 1.00 0.00 C ATOM 161 OD1 ASN A 20 -4.130 5.110 -26.970 1.00 0.00 O ATOM 162 ND2 ASN A 20 -5.140 3.140 -27.140 1.00 0.00 N ATOM 0 H ASN A 20 -5.346 3.489 -22.975 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.785 5.308 -24.506 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.980 3.465 -24.843 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.562 5.026 -25.387 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.683 2.946 -28.031 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.783 2.458 -26.738 1.00 0.00 H new ATOM 166 N LEU A 21 -6.550 6.430 -23.090 1.00 0.00 N ATOM 167 CA LEU A 21 -7.230 7.640 -22.600 1.00 0.00 C ATOM 168 C LEU A 21 -6.350 8.440 -21.630 1.00 0.00 C ATOM 169 O LEU A 21 -6.410 9.650 -21.610 1.00 0.00 O ATOM 170 CB LEU A 21 -8.530 7.220 -21.900 1.00 0.00 C ATOM 171 CG LEU A 21 -9.520 6.430 -22.750 1.00 0.00 C ATOM 172 CD1 LEU A 21 -10.620 5.870 -21.830 1.00 0.00 C ATOM 173 CD2 LEU A 21 -10.100 7.240 -23.900 1.00 0.00 C ATOM 0 H LEU A 21 -7.000 5.561 -22.804 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.442 8.287 -23.451 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.272 6.621 -21.026 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.030 8.117 -21.535 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.986 5.609 -23.227 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.336 5.302 -22.423 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.171 5.217 -21.081 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.133 6.693 -21.333 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.797 6.621 -24.466 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.626 8.109 -23.504 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.294 7.571 -24.555 1.00 0.00 H new ATOM 175 N ILE A 22 -5.510 7.810 -20.820 1.00 0.00 N ATOM 176 CA ILE A 22 -4.540 8.480 -19.940 1.00 0.00 C ATOM 177 C ILE A 22 -3.400 9.100 -20.770 1.00 0.00 C ATOM 178 O ILE A 22 -2.990 10.220 -20.510 1.00 0.00 O ATOM 179 CB ILE A 22 -4.040 7.480 -18.880 1.00 0.00 C ATOM 180 CG1 ILE A 22 -5.170 7.260 -17.880 1.00 0.00 C ATOM 181 CG2 ILE A 22 -2.760 7.920 -18.150 1.00 0.00 C ATOM 182 CD1 ILE A 22 -5.250 5.790 -17.500 1.00 0.00 C ATOM 0 H ILE A 22 -5.477 6.793 -20.749 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.017 9.306 -19.412 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.768 6.559 -19.395 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.001 7.866 -16.989 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.117 7.584 -18.312 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.477 7.160 -17.422 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.954 8.048 -18.873 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.940 8.865 -17.637 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.060 5.642 -16.785 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.440 5.193 -18.392 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.307 5.479 -17.050 1.00 0.00 H new ATOM 184 N ALA A 23 -2.950 8.340 -21.770 1.00 0.00 N ATOM 185 CA ALA A 23 -1.870 8.770 -22.670 1.00 0.00 C ATOM 186 C ALA A 23 -2.330 9.880 -23.630 1.00 0.00 C ATOM 187 O ALA A 23 -1.700 10.940 -23.700 1.00 0.00 O ATOM 188 CB ALA A 23 -1.350 7.570 -23.480 1.00 0.00 C ATOM 0 H ALA A 23 -3.320 7.413 -21.981 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.069 9.174 -22.050 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.550 7.898 -24.144 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.967 6.810 -22.799 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.164 7.151 -24.072 1.00 0.00 H new ATOM 190 N SER A 24 -3.530 9.710 -24.180 1.00 0.00 N ATOM 191 CA SER A 24 -4.190 10.680 -25.080 1.00 0.00 C ATOM 192 C SER A 24 -5.060 11.680 -24.310 1.00 0.00 C ATOM 193 O SER A 24 -5.790 12.470 -24.910 1.00 0.00 O ATOM 194 CB SER A 24 -5.050 9.920 -26.090 1.00 0.00 C ATOM 195 OG SER A 24 -4.780 10.390 -27.410 1.00 0.00 O ATOM 0 H SER A 24 -4.093 8.876 -24.014 1.00 0.00 H new ATOM 0 HA SER A 24 -3.413 11.249 -25.591 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.843 8.852 -26.026 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.106 10.055 -25.856 1.00 0.00 H new ATOM 0 HG SER A 24 -5.333 9.898 -28.052 1.00 0.00 H new ATOM 198 N ASP A 25 -4.960 11.650 -22.980 1.00 0.00 N ATOM 199 CA ASP A 25 -5.720 12.520 -22.050 1.00 0.00 C ATOM 200 C ASP A 25 -7.190 12.690 -22.490 1.00 0.00 C ATOM 201 O ASP A 25 -7.700 13.790 -22.730 1.00 0.00 O ATOM 202 CB ASP A 25 -4.950 13.840 -21.910 1.00 0.00 C ATOM 203 CG ASP A 25 -5.210 14.460 -20.540 1.00 0.00 C ATOM 204 OD1 ASP A 25 -4.630 13.940 -19.560 1.00 0.00 O ATOM 205 OD2 ASP A 25 -5.990 15.440 -20.490 1.00 0.00 O ATOM 0 H ASP A 25 -4.334 11.006 -22.496 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.794 12.060 -21.065 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.882 13.662 -22.040 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.256 14.532 -22.694 1.00 0.00 H new ATOM 207 N GLY A 26 -7.820 11.540 -22.680 1.00 0.00 N ATOM 208 CA GLY A 26 -9.190 11.390 -23.190 1.00 0.00 C ATOM 209 C GLY A 26 -9.260 10.910 -24.650 1.00 0.00 C ATOM 210 O GLY A 26 -8.290 10.370 -25.180 1.00 0.00 O ATOM 0 H GLY A 26 -7.378 10.643 -22.477 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.727 10.682 -22.559 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.706 12.347 -23.107 1.00 0.00 H new ATOM 212 N PRO A 27 -10.460 11.040 -25.250 1.00 0.00 N ATOM 213 CA PRO A 27 -11.680 11.560 -24.590 1.00 0.00 C ATOM 214 C PRO A 27 -12.270 10.550 -23.620 1.00 0.00 C ATOM 215 O PRO A 27 -12.220 9.340 -23.820 1.00 0.00 O ATOM 216 CB PRO A 27 -12.640 11.910 -25.720 1.00 0.00 C ATOM 217 CG PRO A 27 -12.230 10.980 -26.860 1.00 0.00 C ATOM 218 CD PRO A 27 -10.730 10.710 -26.660 1.00 0.00 C ATOM 0 HA PRO A 27 -11.463 12.436 -23.978 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.677 11.747 -25.427 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.551 12.957 -26.009 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.802 10.052 -26.833 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.419 11.442 -27.829 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -10.486 9.670 -26.874 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.127 11.323 -27.330 1.00 0.00 H new ATOM 219 N PHE A 28 -12.680 11.090 -22.490 1.00 0.00 N ATOM 220 CA PHE A 28 -13.210 10.280 -21.390 1.00 0.00 C ATOM 221 C PHE A 28 -14.740 10.190 -21.430 1.00 0.00 C ATOM 222 O PHE A 28 -15.410 11.200 -21.170 1.00 0.00 O ATOM 223 CB PHE A 28 -12.720 10.870 -20.080 1.00 0.00 C ATOM 224 CG PHE A 28 -11.210 10.710 -19.900 1.00 0.00 C ATOM 225 CD1 PHE A 28 -10.630 9.420 -19.880 1.00 0.00 C ATOM 226 CD2 PHE A 28 -10.430 11.860 -19.590 1.00 0.00 C ATOM 227 CE1 PHE A 28 -9.280 9.280 -19.510 1.00 0.00 C ATOM 228 CE2 PHE A 28 -9.080 11.710 -19.230 1.00 0.00 C ATOM 229 CZ PHE A 28 -8.500 10.420 -19.220 1.00 0.00 C ATOM 0 H PHE A 28 -12.660 12.092 -22.300 1.00 0.00 H new ATOM 0 HA PHE A 28 -12.847 9.257 -21.490 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -12.978 11.928 -20.042 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -13.236 10.386 -19.251 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.217 8.553 -20.146 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.874 12.844 -19.631 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.839 8.296 -19.448 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.489 12.574 -18.963 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.451 10.306 -18.988 1.00 0.00 H new ATOM 231 N PRO A 29 -15.270 9.030 -21.820 1.00 0.00 N ATOM 232 CA PRO A 29 -16.730 8.830 -21.920 1.00 0.00 C ATOM 233 C PRO A 29 -17.390 8.770 -20.540 1.00 0.00 C ATOM 234 O PRO A 29 -18.370 9.470 -20.290 1.00 0.00 O ATOM 235 CB PRO A 29 -16.900 7.550 -22.740 1.00 0.00 C ATOM 236 CG PRO A 29 -15.610 6.760 -22.520 1.00 0.00 C ATOM 237 CD PRO A 29 -14.540 7.800 -22.200 1.00 0.00 C ATOM 0 HA PRO A 29 -17.233 9.665 -22.408 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -17.770 6.983 -22.409 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -17.049 7.775 -23.796 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.721 6.048 -21.702 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.346 6.186 -23.408 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.897 7.461 -21.388 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.898 7.978 -23.063 1.00 0.00 H new ATOM 238 N TYR A 30 -16.790 8.000 -19.640 1.00 0.00 N ATOM 239 CA TYR A 30 -17.270 7.800 -18.260 1.00 0.00 C ATOM 240 C TYR A 30 -16.290 6.980 -17.400 1.00 0.00 C ATOM 241 O TYR A 30 -16.710 6.280 -16.470 1.00 0.00 O ATOM 242 CB TYR A 30 -18.650 7.110 -18.300 1.00 0.00 C ATOM 243 CG TYR A 30 -18.690 5.580 -18.350 1.00 0.00 C ATOM 244 CD1 TYR A 30 -17.650 4.810 -18.930 1.00 0.00 C ATOM 245 CD2 TYR A 30 -19.700 4.970 -17.570 1.00 0.00 C ATOM 246 CE1 TYR A 30 -17.570 3.450 -18.630 1.00 0.00 C ATOM 247 CE2 TYR A 30 -19.650 3.580 -17.330 1.00 0.00 C ATOM 248 CZ TYR A 30 -18.570 2.840 -17.860 1.00 0.00 C ATOM 249 OH TYR A 30 -18.540 1.500 -17.690 1.00 0.00 O ATOM 0 H TYR A 30 -15.936 7.481 -19.845 1.00 0.00 H new ATOM 0 HA TYR A 30 -17.349 8.781 -17.791 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -19.208 7.430 -17.420 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -19.186 7.486 -19.171 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -16.932 5.269 -19.593 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -20.504 5.564 -17.161 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -16.736 2.866 -18.992 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -20.422 3.092 -16.753 1.00 0.00 H new ATOM 0 HH TYR A 30 -19.421 1.124 -17.897 1.00 0.00 H new ATOM 252 N SER A 31 -15.020 6.980 -17.800 1.00 0.00 N ATOM 253 CA SER A 31 -14.000 6.140 -17.150 1.00 0.00 C ATOM 254 C SER A 31 -13.690 6.630 -15.730 1.00 0.00 C ATOM 255 O SER A 31 -12.540 6.670 -15.330 1.00 0.00 O ATOM 256 CB SER A 31 -12.720 6.110 -18.000 1.00 0.00 C ATOM 257 OG SER A 31 -12.880 5.240 -19.120 1.00 0.00 O ATOM 0 H SER A 31 -14.667 7.549 -18.569 1.00 0.00 H new ATOM 0 HA SER A 31 -14.398 5.128 -17.070 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.483 7.116 -18.345 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.880 5.776 -17.391 1.00 0.00 H new ATOM 0 HG SER A 31 -12.488 4.366 -18.914 1.00 0.00 H new ATOM 260 N GLN A 32 -14.710 7.100 -15.000 1.00 0.00 N ATOM 261 CA GLN A 32 -14.670 7.680 -13.650 1.00 0.00 C ATOM 262 C GLN A 32 -13.360 8.440 -13.360 1.00 0.00 C ATOM 263 O GLN A 32 -12.630 8.220 -12.390 1.00 0.00 O ATOM 264 CB GLN A 32 -14.920 6.570 -12.640 1.00 0.00 C ATOM 265 CG GLN A 32 -15.950 7.050 -11.630 1.00 0.00 C ATOM 266 CD GLN A 32 -15.530 6.780 -10.180 1.00 0.00 C ATOM 267 OE1 GLN A 32 -14.390 6.930 -9.780 1.00 0.00 O ATOM 268 NE2 GLN A 32 -16.500 6.530 -9.340 1.00 0.00 N ATOM 0 H GLN A 32 -15.661 7.083 -15.367 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.454 8.433 -13.571 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -15.277 5.673 -13.146 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.992 6.303 -12.135 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.112 8.120 -11.763 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -16.902 6.556 -11.826 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.452 6.406 -9.683 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.304 6.459 -8.341 1.00 0.00 H new ATOM 272 N ASP A 33 -13.000 9.180 -14.400 1.00 0.00 N ATOM 273 CA ASP A 33 -11.720 9.880 -14.460 1.00 0.00 C ATOM 274 C ASP A 33 -11.900 11.370 -14.240 1.00 0.00 C ATOM 275 O ASP A 33 -13.030 11.860 -14.180 1.00 0.00 O ATOM 276 CB ASP A 33 -11.070 9.570 -15.800 1.00 0.00 C ATOM 277 CG ASP A 33 -11.920 10.040 -16.960 1.00 0.00 C ATOM 278 OD1 ASP A 33 -12.020 11.280 -17.110 1.00 0.00 O ATOM 279 OD2 ASP A 33 -12.540 9.160 -17.570 1.00 0.00 O ATOM 0 H ASP A 33 -13.584 9.313 -15.225 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.065 9.535 -13.659 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.092 10.049 -15.849 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.904 8.496 -15.883 1.00 0.00 H new ATOM 281 N GLY A 34 -10.760 12.030 -14.170 1.00 0.00 N ATOM 282 CA GLY A 34 -10.710 13.480 -13.870 1.00 0.00 C ATOM 283 C GLY A 34 -10.860 13.740 -12.360 1.00 0.00 C ATOM 284 O GLY A 34 -10.780 14.870 -11.910 1.00 0.00 O ATOM 0 H GLY A 34 -9.846 11.600 -14.314 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.765 13.895 -14.221 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.504 13.994 -14.411 1.00 0.00 H new ATOM 286 N VAL A 35 -11.050 12.660 -11.600 1.00 0.00 N ATOM 287 CA VAL A 35 -11.110 12.690 -10.140 1.00 0.00 C ATOM 288 C VAL A 35 -9.790 12.200 -9.540 1.00 0.00 C ATOM 289 O VAL A 35 -9.110 11.360 -10.120 1.00 0.00 O ATOM 290 CB VAL A 35 -12.310 11.870 -9.610 1.00 0.00 C ATOM 291 CG1 VAL A 35 -13.640 12.480 -10.060 1.00 0.00 C ATOM 292 CG2 VAL A 35 -12.280 10.390 -10.010 1.00 0.00 C ATOM 0 H VAL A 35 -11.168 11.725 -11.990 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.262 13.723 -9.826 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.221 11.914 -8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.464 11.882 -9.672 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.720 13.498 -9.680 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.684 12.495 -11.149 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.154 9.885 -9.600 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.289 10.307 -11.097 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.375 9.925 -9.618 1.00 0.00 H new ATOM 294 N VAL A 36 -9.440 12.840 -8.430 1.00 0.00 N ATOM 295 CA VAL A 36 -8.250 12.520 -7.620 1.00 0.00 C ATOM 296 C VAL A 36 -8.540 11.290 -6.740 1.00 0.00 C ATOM 297 O VAL A 36 -9.650 11.080 -6.270 1.00 0.00 O ATOM 298 CB VAL A 36 -7.790 13.760 -6.820 1.00 0.00 C ATOM 299 CG1 VAL A 36 -7.010 13.490 -5.530 1.00 0.00 C ATOM 300 CG2 VAL A 36 -6.930 14.660 -7.700 1.00 0.00 C ATOM 0 H VAL A 36 -9.983 13.616 -8.052 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.414 12.256 -8.267 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.726 14.228 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.744 14.437 -5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.628 12.907 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.103 12.933 -5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.611 15.531 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.054 14.107 -8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.510 14.986 -8.563 1.00 0.00 H new ATOM 302 N PHE A 37 -7.450 10.610 -6.430 1.00 0.00 N ATOM 303 CA PHE A 37 -7.490 9.450 -5.550 1.00 0.00 C ATOM 304 C PHE A 37 -6.400 9.570 -4.480 1.00 0.00 C ATOM 305 O PHE A 37 -5.330 9.010 -4.660 1.00 0.00 O ATOM 306 CB PHE A 37 -7.280 8.200 -6.410 1.00 0.00 C ATOM 307 CG PHE A 37 -7.330 6.910 -5.590 1.00 0.00 C ATOM 308 CD1 PHE A 37 -8.490 6.600 -4.850 1.00 0.00 C ATOM 309 CD2 PHE A 37 -6.250 6.020 -5.620 1.00 0.00 C ATOM 310 CE1 PHE A 37 -8.560 5.380 -4.150 1.00 0.00 C ATOM 311 CE2 PHE A 37 -6.330 4.780 -4.940 1.00 0.00 C ATOM 312 CZ PHE A 37 -7.490 4.470 -4.200 1.00 0.00 C ATOM 0 H PHE A 37 -6.519 10.842 -6.776 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.450 9.386 -5.038 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.045 8.164 -7.185 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.317 8.268 -6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.318 7.293 -4.820 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.353 6.279 -6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -9.441 5.142 -3.572 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.510 4.078 -4.988 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.556 3.531 -3.670 1.00 0.00 H new ATOM 314 N GLN A 38 -6.690 10.190 -3.340 1.00 0.00 N ATOM 315 CA GLN A 38 -5.680 10.340 -2.280 1.00 0.00 C ATOM 316 C GLN A 38 -5.380 9.010 -1.550 1.00 0.00 C ATOM 317 O GLN A 38 -5.520 8.910 -0.330 1.00 0.00 O ATOM 318 CB GLN A 38 -6.110 11.420 -1.280 1.00 0.00 C ATOM 319 CG GLN A 38 -4.910 11.770 -0.400 1.00 0.00 C ATOM 320 CD GLN A 38 -5.240 12.040 1.070 1.00 0.00 C ATOM 321 OE1 GLN A 38 -6.370 11.980 1.540 1.00 0.00 O ATOM 322 NE2 GLN A 38 -4.240 12.470 1.790 1.00 0.00 N ATOM 0 H GLN A 38 -7.601 10.594 -3.121 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.754 10.649 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.464 12.306 -1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.937 11.062 -0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.191 10.952 -0.451 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.420 12.651 -0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.304 12.515 1.387 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.395 12.761 2.755 1.00 0.00 H new ATOM 326 N ASN A 39 -5.090 7.980 -2.340 1.00 0.00 N ATOM 327 CA ASN A 39 -4.810 6.590 -1.950 1.00 0.00 C ATOM 328 C ASN A 39 -5.570 6.260 -0.650 1.00 0.00 C ATOM 329 O ASN A 39 -4.980 5.950 0.370 1.00 0.00 O ATOM 330 CB ASN A 39 -3.290 6.400 -1.830 1.00 0.00 C ATOM 331 CG ASN A 39 -2.660 7.130 -0.630 1.00 0.00 C ATOM 332 OD1 ASN A 39 -2.820 8.320 -0.410 1.00 0.00 O ATOM 333 ND2 ASN A 39 -1.960 6.390 0.190 1.00 0.00 N ATOM 0 H ASN A 39 -5.039 8.099 -3.352 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.163 5.889 -2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.073 5.335 -1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.817 6.753 -2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.542 6.806 1.022 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.832 5.397 -0.003 1.00 0.00 H new ATOM 337 N ARG A 40 -6.870 6.540 -0.660 1.00 0.00 N ATOM 338 CA ARG A 40 -7.690 6.400 0.570 1.00 0.00 C ATOM 339 C ARG A 40 -7.620 4.990 1.150 1.00 0.00 C ATOM 340 O ARG A 40 -7.750 4.790 2.360 1.00 0.00 O ATOM 341 CB ARG A 40 -9.150 6.790 0.360 1.00 0.00 C ATOM 342 CG ARG A 40 -9.670 6.300 -0.990 1.00 0.00 C ATOM 343 CD ARG A 40 -9.820 7.510 -1.910 1.00 0.00 C ATOM 344 NE ARG A 40 -11.000 8.290 -1.500 1.00 0.00 N ATOM 345 CZ ARG A 40 -12.260 7.850 -1.510 1.00 0.00 C ATOM 346 NH1 ARG A 40 -12.610 6.660 -1.970 1.00 0.00 N ATOM 347 NH2 ARG A 40 -13.200 8.640 -1.030 1.00 0.00 N ATOM 0 H ARG A 40 -7.383 6.860 -1.481 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.253 7.099 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.759 6.370 1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.251 7.874 0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.980 5.576 -1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.628 5.794 -0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.925 8.131 -1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.927 7.184 -2.944 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.841 9.246 -1.182 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.901 6.028 -2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.589 6.375 -1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.955 9.560 -0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.172 8.331 -1.024 1.00 0.00 H new ATOM 354 N GLU A 41 -7.260 4.080 0.270 1.00 0.00 N ATOM 355 CA GLU A 41 -6.970 2.700 0.640 1.00 0.00 C ATOM 356 C GLU A 41 -5.590 2.480 1.270 1.00 0.00 C ATOM 357 O GLU A 41 -5.300 1.360 1.680 1.00 0.00 O ATOM 358 CB GLU A 41 -7.170 1.800 -0.560 1.00 0.00 C ATOM 359 CG GLU A 41 -8.420 0.970 -0.270 1.00 0.00 C ATOM 360 CD GLU A 41 -8.620 -0.050 -1.380 1.00 0.00 C ATOM 361 OE1 GLU A 41 -9.020 0.450 -2.450 1.00 0.00 O ATOM 362 OE2 GLU A 41 -8.210 -1.210 -1.200 1.00 0.00 O ATOM 0 H GLU A 41 -7.158 4.271 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.676 2.441 1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.296 2.387 -1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.303 1.157 -0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.319 0.464 0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.292 1.620 -0.197 1.00 0.00 H new ATOM 364 N SER A 42 -4.740 3.520 1.300 1.00 0.00 N ATOM 365 CA SER A 42 -3.350 3.470 1.810 1.00 0.00 C ATOM 366 C SER A 42 -2.590 2.230 1.310 1.00 0.00 C ATOM 367 O SER A 42 -1.820 1.560 1.990 1.00 0.00 O ATOM 368 CB SER A 42 -3.390 3.570 3.340 1.00 0.00 C ATOM 369 OG SER A 42 -2.080 3.550 3.900 1.00 0.00 O ATOM 0 H SER A 42 -5.003 4.446 0.962 1.00 0.00 H new ATOM 0 HA SER A 42 -2.787 4.317 1.417 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.898 4.489 3.632 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.972 2.742 3.744 1.00 0.00 H new ATOM 0 HG SER A 42 -1.576 2.797 3.527 1.00 0.00 H new ATOM 372 N VAL A 43 -2.910 1.880 0.060 1.00 0.00 N ATOM 373 CA VAL A 43 -2.320 0.700 -0.600 1.00 0.00 C ATOM 374 C VAL A 43 -1.400 1.150 -1.740 1.00 0.00 C ATOM 375 O VAL A 43 -0.730 0.380 -2.410 1.00 0.00 O ATOM 376 CB VAL A 43 -3.430 -0.270 -1.050 1.00 0.00 C ATOM 377 CG1 VAL A 43 -2.930 -1.430 -1.920 1.00 0.00 C ATOM 378 CG2 VAL A 43 -4.100 -0.940 0.150 1.00 0.00 C ATOM 0 H VAL A 43 -3.574 2.394 -0.519 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.699 0.145 0.103 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.110 0.362 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.771 -2.067 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.464 -1.034 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.199 -2.015 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.878 -1.618 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.356 -1.502 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.544 -0.178 0.791 1.00 0.00 H new ATOM 380 N LEU A 44 -1.460 2.430 -2.050 1.00 0.00 N ATOM 381 CA LEU A 44 -0.710 2.970 -3.180 1.00 0.00 C ATOM 382 C LEU A 44 0.570 3.600 -2.620 1.00 0.00 C ATOM 383 O LEU A 44 0.590 3.980 -1.450 1.00 0.00 O ATOM 384 CB LEU A 44 -1.630 3.980 -3.870 1.00 0.00 C ATOM 385 CG LEU A 44 -2.900 3.450 -4.570 1.00 0.00 C ATOM 386 CD1 LEU A 44 -2.710 3.340 -6.060 1.00 0.00 C ATOM 387 CD2 LEU A 44 -3.430 2.100 -4.130 1.00 0.00 C ATOM 0 H LEU A 44 -2.016 3.117 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.412 2.222 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.941 4.711 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.039 4.515 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.628 4.204 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.625 2.964 -6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.477 4.322 -6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.890 2.654 -6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.323 1.855 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.669 1.338 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.679 2.135 -3.070 1.00 0.00 H new ATOM 425 N TYR A 49 -0.890 14.190 -1.990 1.00 0.00 N ATOM 426 CA TYR A 49 -2.330 14.390 -2.210 1.00 0.00 C ATOM 427 C TYR A 49 -2.520 15.020 -3.590 1.00 0.00 C ATOM 428 O TYR A 49 -1.800 15.940 -3.960 1.00 0.00 O ATOM 429 CB TYR A 49 -2.850 15.320 -1.100 1.00 0.00 C ATOM 430 CG TYR A 49 -4.350 15.660 -1.200 1.00 0.00 C ATOM 431 CD1 TYR A 49 -4.810 16.500 -2.240 1.00 0.00 C ATOM 432 CD2 TYR A 49 -5.240 15.100 -0.270 1.00 0.00 C ATOM 433 CE1 TYR A 49 -6.190 16.740 -2.380 1.00 0.00 C ATOM 434 CE2 TYR A 49 -6.620 15.350 -0.390 1.00 0.00 C ATOM 435 CZ TYR A 49 -7.070 16.160 -1.460 1.00 0.00 C ATOM 436 OH TYR A 49 -8.400 16.410 -1.570 1.00 0.00 O ATOM 0 HA TYR A 49 -2.882 13.451 -2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.660 14.853 -0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.278 16.248 -1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.107 16.955 -2.923 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.868 14.481 0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.562 17.360 -3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.320 14.933 0.319 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.882 15.936 -0.860 1.00 0.00 H new ATOM 439 N GLY A 50 -3.500 14.480 -4.320 1.00 0.00 N ATOM 440 CA GLY A 50 -3.860 15.020 -5.640 1.00 0.00 C ATOM 441 C GLY A 50 -2.980 14.490 -6.780 1.00 0.00 C ATOM 442 O GLY A 50 -3.400 14.440 -7.930 1.00 0.00 O ATOM 0 H GLY A 50 -4.055 13.677 -4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.901 14.776 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.787 16.107 -5.611 1.00 0.00 H new ATOM 444 N TYR A 51 -1.820 13.970 -6.390 1.00 0.00 N ATOM 445 CA TYR A 51 -0.840 13.340 -7.300 1.00 0.00 C ATOM 446 C TYR A 51 -1.360 12.050 -7.950 1.00 0.00 C ATOM 447 O TYR A 51 -0.730 11.480 -8.840 1.00 0.00 O ATOM 448 CB TYR A 51 0.390 13.010 -6.460 1.00 0.00 C ATOM 449 CG TYR A 51 1.680 13.270 -7.230 1.00 0.00 C ATOM 450 CD1 TYR A 51 2.070 14.610 -7.450 1.00 0.00 C ATOM 451 CD2 TYR A 51 2.480 12.170 -7.630 1.00 0.00 C ATOM 452 CE1 TYR A 51 3.290 14.860 -8.090 1.00 0.00 C ATOM 453 CE2 TYR A 51 3.710 12.430 -8.260 1.00 0.00 C ATOM 454 CZ TYR A 51 4.090 13.780 -8.500 1.00 0.00 C ATOM 455 OH TYR A 51 5.210 14.030 -9.240 1.00 0.00 O ATOM 0 H TYR A 51 -1.519 13.969 -5.415 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.626 14.032 -8.115 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.382 13.610 -5.550 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.353 11.965 -6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.439 15.426 -7.131 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.152 11.156 -7.455 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.614 15.875 -8.267 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.356 11.617 -8.557 1.00 0.00 H new ATOM 0 HH TYR A 51 5.661 13.185 -9.447 1.00 0.00 H new ATOM 458 N TYR A 52 -2.450 11.560 -7.390 1.00 0.00 N ATOM 459 CA TYR A 52 -3.130 10.350 -7.840 1.00 0.00 C ATOM 460 C TYR A 52 -4.450 10.730 -8.510 1.00 0.00 C ATOM 461 O TYR A 52 -5.140 11.640 -8.050 1.00 0.00 O ATOM 462 CB TYR A 52 -3.480 9.550 -6.610 1.00 0.00 C ATOM 463 CG TYR A 52 -2.380 8.640 -6.110 1.00 0.00 C ATOM 464 CD1 TYR A 52 -1.380 9.130 -5.250 1.00 0.00 C ATOM 465 CD2 TYR A 52 -2.430 7.320 -6.580 1.00 0.00 C ATOM 466 CE1 TYR A 52 -0.360 8.240 -4.840 1.00 0.00 C ATOM 467 CE2 TYR A 52 -1.400 6.470 -6.200 1.00 0.00 C ATOM 468 CZ TYR A 52 -0.380 6.920 -5.350 1.00 0.00 C ATOM 469 OH TYR A 52 0.560 6.010 -5.010 1.00 0.00 O ATOM 0 H TYR A 52 -2.902 12.000 -6.589 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.494 9.797 -8.532 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.753 10.239 -5.811 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.362 8.946 -6.825 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.391 10.156 -4.913 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.237 6.978 -7.212 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.413 8.559 -4.156 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.384 5.453 -6.563 1.00 0.00 H new ATOM 0 HH TYR A 52 0.887 6.200 -4.106 1.00 0.00 H new ATOM 472 N HIS A 53 -4.870 9.820 -9.380 1.00 0.00 N ATOM 473 CA HIS A 53 -6.130 9.960 -10.130 1.00 0.00 C ATOM 474 C HIS A 53 -6.680 8.590 -10.530 1.00 0.00 C ATOM 475 O HIS A 53 -5.980 7.580 -10.480 1.00 0.00 O ATOM 476 CB HIS A 53 -5.920 10.830 -11.370 1.00 0.00 C ATOM 477 CG HIS A 53 -5.690 12.310 -11.090 1.00 0.00 C ATOM 478 ND1 HIS A 53 -4.520 12.950 -11.130 1.00 0.00 N ATOM 479 CD2 HIS A 53 -6.640 13.210 -10.830 1.00 0.00 C ATOM 480 CE1 HIS A 53 -4.750 14.240 -10.890 1.00 0.00 C ATOM 481 NE2 HIS A 53 -6.050 14.390 -10.710 1.00 0.00 N ATOM 0 H HIS A 53 -4.356 8.965 -9.591 1.00 0.00 H new ATOM 0 HA HIS A 53 -6.859 10.446 -9.481 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.065 10.444 -11.925 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.791 10.730 -12.017 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.697 13.012 -10.735 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.007 15.023 -10.850 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.523 15.272 -10.511 1.00 0.00 H new ATOM 485 N GLU A 54 -7.970 8.580 -10.850 1.00 0.00 N ATOM 486 CA GLU A 54 -8.710 7.350 -11.220 1.00 0.00 C ATOM 487 C GLU A 54 -9.210 7.440 -12.650 1.00 0.00 C ATOM 488 O GLU A 54 -9.360 8.540 -13.190 1.00 0.00 O ATOM 489 CB GLU A 54 -9.960 7.100 -10.370 1.00 0.00 C ATOM 490 CG GLU A 54 -9.640 7.040 -8.890 1.00 0.00 C ATOM 491 CD GLU A 54 -10.290 8.230 -8.190 1.00 0.00 C ATOM 492 OE1 GLU A 54 -9.730 9.320 -8.360 1.00 0.00 O ATOM 493 OE2 GLU A 54 -11.330 8.040 -7.530 1.00 0.00 O ATOM 0 H GLU A 54 -8.546 9.422 -10.864 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.992 6.544 -11.067 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.686 7.893 -10.552 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.426 6.164 -10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.007 6.106 -8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.561 7.058 -8.738 1.00 0.00 H new ATOM 495 N TYR A 55 -9.290 6.260 -13.270 1.00 0.00 N ATOM 496 CA TYR A 55 -9.590 6.090 -14.700 1.00 0.00 C ATOM 497 C TYR A 55 -10.090 4.650 -14.950 1.00 0.00 C ATOM 498 O TYR A 55 -9.330 3.740 -15.250 1.00 0.00 O ATOM 499 CB TYR A 55 -8.320 6.370 -15.520 1.00 0.00 C ATOM 500 CG TYR A 55 -7.620 7.720 -15.420 1.00 0.00 C ATOM 501 CD1 TYR A 55 -6.710 7.910 -14.370 1.00 0.00 C ATOM 502 CD2 TYR A 55 -8.000 8.790 -16.260 1.00 0.00 C ATOM 503 CE1 TYR A 55 -6.230 9.210 -14.120 1.00 0.00 C ATOM 504 CE2 TYR A 55 -7.520 10.090 -16.000 1.00 0.00 C ATOM 505 CZ TYR A 55 -6.640 10.290 -14.920 1.00 0.00 C ATOM 506 OH TYR A 55 -6.100 11.510 -14.700 1.00 0.00 O ATOM 0 H TYR A 55 -9.145 5.375 -12.784 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.368 6.789 -15.005 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.589 5.607 -15.252 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.573 6.215 -16.569 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.384 7.076 -13.766 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.656 8.613 -17.099 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.540 9.378 -13.306 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.823 10.920 -16.621 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.481 12.155 -15.332 1.00 0.00 H new ATOM 509 N THR A 56 -11.380 4.420 -14.700 1.00 0.00 N ATOM 510 CA THR A 56 -12.050 3.140 -14.970 1.00 0.00 C ATOM 511 C THR A 56 -11.770 2.650 -16.400 1.00 0.00 C ATOM 512 O THR A 56 -11.500 3.410 -17.330 1.00 0.00 O ATOM 513 CB THR A 56 -13.580 3.260 -14.750 1.00 0.00 C ATOM 514 OG1 THR A 56 -13.750 3.660 -13.390 1.00 0.00 O ATOM 515 CG2 THR A 56 -14.430 2.020 -15.050 1.00 0.00 C ATOM 0 H THR A 56 -12.000 5.124 -14.299 1.00 0.00 H new ATOM 0 HA THR A 56 -11.645 2.410 -14.269 1.00 0.00 H new ATOM 0 HB THR A 56 -13.952 3.979 -15.480 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.662 3.450 -13.099 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.479 2.242 -14.854 1.00 0.00 H new ATOM 0 HG22 THR A 56 -14.308 1.739 -16.096 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.108 1.196 -14.413 1.00 0.00 H new ATOM 518 N VAL A 57 -11.700 1.340 -16.490 1.00 0.00 N ATOM 519 CA VAL A 57 -11.310 0.700 -17.750 1.00 0.00 C ATOM 520 C VAL A 57 -12.470 0.060 -18.470 1.00 0.00 C ATOM 521 O VAL A 57 -12.250 -0.780 -19.330 1.00 0.00 O ATOM 522 CB VAL A 57 -10.100 -0.250 -17.570 1.00 0.00 C ATOM 523 CG1 VAL A 57 -9.140 0.300 -16.540 1.00 0.00 C ATOM 524 CG2 VAL A 57 -10.400 -1.690 -17.150 1.00 0.00 C ATOM 0 H VAL A 57 -11.902 0.696 -15.725 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.973 1.498 -18.411 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.689 -0.293 -18.579 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.297 -0.382 -16.428 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.777 1.275 -16.865 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.653 0.403 -15.584 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.466 -2.245 -17.061 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.915 -1.689 -16.189 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.033 -2.164 -17.900 1.00 0.00 H new ATOM 526 N ILE A 58 -13.680 0.480 -18.110 1.00 0.00 N ATOM 527 CA ILE A 58 -14.920 -0.240 -18.480 1.00 0.00 C ATOM 528 C ILE A 58 -14.790 -1.720 -18.040 1.00 0.00 C ATOM 529 O ILE A 58 -13.720 -2.170 -17.640 1.00 0.00 O ATOM 530 CB ILE A 58 -15.180 0.050 -19.970 1.00 0.00 C ATOM 531 CG1 ILE A 58 -16.560 0.640 -20.140 1.00 0.00 C ATOM 532 CG2 ILE A 58 -15.050 -1.130 -20.940 1.00 0.00 C ATOM 533 CD1 ILE A 58 -16.570 1.660 -21.280 1.00 0.00 C ATOM 0 H ILE A 58 -13.840 1.322 -17.557 1.00 0.00 H new ATOM 0 HA ILE A 58 -15.819 0.095 -17.962 1.00 0.00 H new ATOM 0 HB ILE A 58 -14.379 0.738 -20.240 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -17.278 -0.153 -20.348 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -16.874 1.119 -19.213 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -15.258 -0.791 -21.955 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.038 -1.531 -20.892 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -15.762 -1.908 -20.664 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -17.572 2.075 -21.388 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -15.867 2.463 -21.056 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -16.278 1.170 -22.209 1.00 0.00 H new ATOM 535 N THR A 59 -15.840 -2.480 -18.300 1.00 0.00 N ATOM 536 CA THR A 59 -15.870 -3.930 -18.020 1.00 0.00 C ATOM 537 C THR A 59 -16.900 -4.640 -18.920 1.00 0.00 C ATOM 538 O THR A 59 -17.940 -4.050 -19.220 1.00 0.00 O ATOM 539 CB THR A 59 -16.120 -4.160 -16.520 1.00 0.00 C ATOM 540 OG1 THR A 59 -15.040 -3.540 -15.840 1.00 0.00 O ATOM 541 CG2 THR A 59 -16.170 -5.620 -16.060 1.00 0.00 C ATOM 0 H THR A 59 -16.702 -2.122 -18.711 1.00 0.00 H new ATOM 0 HA THR A 59 -14.903 -4.373 -18.261 1.00 0.00 H new ATOM 0 HB THR A 59 -17.108 -3.753 -16.303 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.334 -3.318 -16.482 1.00 0.00 H new ATOM 0 HG21 THR A 59 -16.351 -5.657 -14.986 1.00 0.00 H new ATOM 0 HG22 THR A 59 -16.974 -6.139 -16.582 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.220 -6.105 -16.284 1.00 0.00 H new ATOM 544 N PRO A 60 -16.570 -5.840 -19.430 1.00 0.00 N ATOM 545 CA PRO A 60 -17.480 -6.630 -20.270 1.00 0.00 C ATOM 546 C PRO A 60 -18.580 -7.250 -19.410 1.00 0.00 C ATOM 547 O PRO A 60 -18.370 -7.550 -18.230 1.00 0.00 O ATOM 548 CB PRO A 60 -16.600 -7.710 -20.900 1.00 0.00 C ATOM 549 CG PRO A 60 -15.470 -7.930 -19.890 1.00 0.00 C ATOM 550 CD PRO A 60 -15.280 -6.560 -19.250 1.00 0.00 C ATOM 0 HA PRO A 60 -17.979 -6.027 -21.029 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -17.162 -8.628 -21.072 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -16.210 -7.389 -21.866 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -15.737 -8.684 -19.149 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -14.558 -8.273 -20.379 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -15.030 -6.654 -18.193 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -14.461 -6.018 -19.724 1.00 0.00 H new ATOM 551 N GLY A 61 -19.780 -7.290 -20.000 1.00 0.00 N ATOM 552 CA GLY A 61 -21.020 -7.770 -19.350 1.00 0.00 C ATOM 553 C GLY A 61 -21.230 -7.160 -17.950 1.00 0.00 C ATOM 554 O GLY A 61 -21.830 -7.770 -17.070 1.00 0.00 O ATOM 0 H GLY A 61 -19.927 -6.985 -20.962 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.875 -7.525 -19.981 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.985 -8.856 -19.267 1.00 0.00 H new ATOM 556 N ALA A 62 -20.690 -5.960 -17.770 1.00 0.00 N ATOM 557 CA ALA A 62 -20.770 -5.250 -16.490 1.00 0.00 C ATOM 558 C ALA A 62 -21.890 -4.240 -16.650 1.00 0.00 C ATOM 559 O ALA A 62 -21.750 -3.210 -17.300 1.00 0.00 O ATOM 560 CB ALA A 62 -19.480 -4.520 -16.170 1.00 0.00 C ATOM 0 H ALA A 62 -20.188 -5.452 -18.498 1.00 0.00 H new ATOM 0 HA ALA A 62 -20.947 -5.953 -15.676 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -19.580 -4.007 -15.214 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -18.661 -5.237 -16.113 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.271 -3.791 -16.953 1.00 0.00 H new ATOM 562 N ARG A 63 -23.040 -4.710 -16.190 1.00 0.00 N ATOM 563 CA ARG A 63 -24.260 -3.870 -16.140 1.00 0.00 C ATOM 564 C ARG A 63 -23.980 -2.460 -15.590 1.00 0.00 C ATOM 565 O ARG A 63 -24.670 -1.500 -15.920 1.00 0.00 O ATOM 566 CB ARG A 63 -25.310 -4.520 -15.240 1.00 0.00 C ATOM 567 CG ARG A 63 -26.490 -5.000 -16.070 1.00 0.00 C ATOM 568 CD ARG A 63 -27.800 -4.370 -15.570 1.00 0.00 C ATOM 569 NE ARG A 63 -28.330 -3.340 -16.490 1.00 0.00 N ATOM 570 CZ ARG A 63 -28.750 -3.520 -17.740 1.00 0.00 C ATOM 571 NH1 ARG A 63 -28.700 -4.710 -18.330 1.00 0.00 N ATOM 572 NH2 ARG A 63 -29.210 -2.500 -18.450 1.00 0.00 N ATOM 0 H ARG A 63 -23.169 -5.661 -15.844 1.00 0.00 H new ATOM 0 HA ARG A 63 -24.618 -3.784 -17.166 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -24.869 -5.359 -14.702 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -25.650 -3.805 -14.491 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -26.333 -4.741 -17.117 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -26.560 -6.086 -16.017 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -28.547 -5.153 -15.439 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -27.632 -3.923 -14.590 1.00 0.00 H new ATOM 0 HE ARG A 63 -28.379 -2.388 -16.127 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -28.332 -5.515 -17.823 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -29.029 -4.818 -19.289 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -29.244 -1.567 -18.039 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -29.530 -2.648 -19.407 1.00 0.00 H new ATOM 579 N THR A 64 -22.970 -2.400 -14.730 1.00 0.00 N ATOM 580 CA THR A 64 -22.530 -1.170 -14.060 1.00 0.00 C ATOM 581 C THR A 64 -21.130 -0.790 -14.600 1.00 0.00 C ATOM 582 O THR A 64 -20.620 -1.400 -15.530 1.00 0.00 O ATOM 583 CB THR A 64 -22.510 -1.420 -12.530 1.00 0.00 C ATOM 584 OG1 THR A 64 -21.370 -2.200 -12.170 1.00 0.00 O ATOM 585 CG2 THR A 64 -23.790 -2.110 -12.010 1.00 0.00 C ATOM 0 H THR A 64 -22.419 -3.218 -14.470 1.00 0.00 H new ATOM 0 HA THR A 64 -23.209 -0.341 -14.260 1.00 0.00 H new ATOM 0 HB THR A 64 -22.459 -0.438 -12.060 1.00 0.00 H new ATOM 0 HG1 THR A 64 -21.368 -2.349 -11.201 1.00 0.00 H new ATOM 0 HG21 THR A 64 -23.712 -2.256 -10.933 1.00 0.00 H new ATOM 0 HG22 THR A 64 -24.655 -1.485 -12.230 1.00 0.00 H new ATOM 0 HG23 THR A 64 -23.907 -3.077 -12.500 1.00 0.00 H new ATOM 588 N ARG A 65 -20.450 0.110 -13.900 1.00 0.00 N ATOM 589 CA ARG A 65 -19.050 0.460 -14.240 1.00 0.00 C ATOM 590 C ARG A 65 -18.060 -0.690 -14.020 1.00 0.00 C ATOM 591 O ARG A 65 -16.890 -0.590 -14.380 1.00 0.00 O ATOM 592 CB ARG A 65 -18.570 1.620 -13.390 1.00 0.00 C ATOM 593 CG ARG A 65 -18.620 2.980 -14.110 1.00 0.00 C ATOM 594 CD ARG A 65 -18.170 4.140 -13.210 1.00 0.00 C ATOM 595 NE ARG A 65 -18.900 4.110 -11.930 1.00 0.00 N ATOM 596 CZ ARG A 65 -18.490 3.490 -10.820 1.00 0.00 C ATOM 597 NH1 ARG A 65 -17.330 2.830 -10.790 1.00 0.00 N ATOM 598 NH2 ARG A 65 -19.280 3.410 -9.760 1.00 0.00 N ATOM 0 H ARG A 65 -20.829 0.614 -13.098 1.00 0.00 H new ATOM 0 HA ARG A 65 -19.070 0.711 -15.301 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -19.180 1.674 -12.488 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -17.546 1.426 -13.071 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -17.984 2.943 -14.994 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -19.636 3.167 -14.456 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -17.098 4.071 -13.026 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -18.347 5.090 -13.715 1.00 0.00 H new ATOM 0 HE ARG A 65 -19.792 4.603 -11.888 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.742 2.794 -11.623 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -17.032 2.362 -9.934 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.212 3.824 -9.786 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.957 2.934 -8.918 1.00 0.00 H new ATOM 605 N GLY A 66 -18.540 -1.730 -13.330 1.00 0.00 N ATOM 606 CA GLY A 66 -17.750 -2.900 -12.960 1.00 0.00 C ATOM 607 C GLY A 66 -16.750 -2.540 -11.870 1.00 0.00 C ATOM 608 O GLY A 66 -16.490 -1.380 -11.530 1.00 0.00 O ATOM 0 H GLY A 66 -19.507 -1.779 -13.009 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.408 -3.696 -12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.223 -3.283 -13.834 1.00 0.00 H new ATOM 610 N THR A 67 -16.230 -3.600 -11.290 1.00 0.00 N ATOM 611 CA THR A 67 -15.220 -3.520 -10.230 1.00 0.00 C ATOM 612 C THR A 67 -13.830 -3.130 -10.770 1.00 0.00 C ATOM 613 O THR A 67 -12.930 -2.700 -10.060 1.00 0.00 O ATOM 614 CB THR A 67 -15.220 -4.880 -9.530 1.00 0.00 C ATOM 615 OG1 THR A 67 -15.030 -5.900 -10.510 1.00 0.00 O ATOM 616 CG2 THR A 67 -16.480 -5.120 -8.690 1.00 0.00 C ATOM 0 H THR A 67 -16.492 -4.555 -11.535 1.00 0.00 H new ATOM 0 HA THR A 67 -15.465 -2.727 -9.523 1.00 0.00 H new ATOM 0 HB THR A 67 -14.396 -4.901 -8.817 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.026 -6.777 -10.073 1.00 0.00 H new ATOM 0 HG21 THR A 67 -16.421 -6.101 -8.218 1.00 0.00 H new ATOM 0 HG22 THR A 67 -16.556 -4.352 -7.921 1.00 0.00 H new ATOM 0 HG23 THR A 67 -17.359 -5.078 -9.333 1.00 0.00 H new ATOM 619 N ARG A 68 -13.670 -3.240 -12.080 1.00 0.00 N ATOM 620 CA ARG A 68 -12.430 -2.850 -12.760 1.00 0.00 C ATOM 621 C ARG A 68 -12.230 -1.330 -12.670 1.00 0.00 C ATOM 622 O ARG A 68 -13.170 -0.550 -12.800 1.00 0.00 O ATOM 623 CB ARG A 68 -12.450 -3.240 -14.240 1.00 0.00 C ATOM 624 CG ARG A 68 -12.800 -4.720 -14.460 1.00 0.00 C ATOM 625 CD ARG A 68 -11.810 -5.700 -13.880 1.00 0.00 C ATOM 626 NE ARG A 68 -11.280 -6.520 -14.980 1.00 0.00 N ATOM 627 CZ ARG A 68 -10.610 -7.650 -14.810 1.00 0.00 C ATOM 628 NH1 ARG A 68 -10.340 -8.110 -13.600 1.00 0.00 N ATOM 629 NH2 ARG A 68 -10.190 -8.330 -15.860 1.00 0.00 N ATOM 0 H ARG A 68 -14.390 -3.600 -12.706 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.615 -3.375 -12.262 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -13.175 -2.618 -14.765 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.474 -3.033 -14.679 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.780 -4.915 -14.024 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.885 -4.903 -15.531 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.001 -5.171 -13.376 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.292 -6.331 -13.133 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.438 -6.198 -15.935 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.649 -7.593 -12.777 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.823 -8.982 -13.490 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.381 -7.985 -16.801 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.674 -9.200 -15.731 1.00 0.00 H new ATOM 636 N ARG A 69 -10.990 -0.980 -12.380 1.00 0.00 N ATOM 637 CA ARG A 69 -10.530 0.410 -12.210 1.00 0.00 C ATOM 638 C ARG A 69 -9.020 0.500 -12.410 1.00 0.00 C ATOM 639 O ARG A 69 -8.300 -0.480 -12.240 1.00 0.00 O ATOM 640 CB ARG A 69 -10.900 0.930 -10.820 1.00 0.00 C ATOM 641 CG ARG A 69 -12.220 1.680 -10.780 1.00 0.00 C ATOM 642 CD ARG A 69 -11.940 3.180 -10.760 1.00 0.00 C ATOM 643 NE ARG A 69 -12.250 3.700 -9.420 1.00 0.00 N ATOM 644 CZ ARG A 69 -13.470 4.050 -8.990 1.00 0.00 C ATOM 645 NH1 ARG A 69 -14.540 3.930 -9.770 1.00 0.00 N ATOM 646 NH2 ARG A 69 -13.630 4.530 -7.770 1.00 0.00 N ATOM 0 H ARG A 69 -10.245 -1.665 -12.250 1.00 0.00 H new ATOM 0 HA ARG A 69 -11.024 1.027 -12.961 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.949 0.089 -10.128 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.107 1.589 -10.465 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.826 1.422 -11.649 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.790 1.392 -9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.896 3.373 -11.008 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -12.545 3.687 -11.511 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.474 3.803 -8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.442 3.565 -10.717 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.459 4.203 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.824 4.635 -7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.559 4.796 -7.444 1.00 0.00 H new ATOM 653 N ILE A 70 -8.600 1.710 -12.770 1.00 0.00 N ATOM 654 CA ILE A 70 -7.190 2.080 -12.960 1.00 0.00 C ATOM 655 C ILE A 70 -6.900 3.360 -12.190 1.00 0.00 C ATOM 656 O ILE A 70 -7.680 4.310 -12.210 1.00 0.00 O ATOM 657 CB ILE A 70 -6.830 2.170 -14.460 1.00 0.00 C ATOM 658 CG1 ILE A 70 -6.160 0.850 -14.830 1.00 0.00 C ATOM 659 CG2 ILE A 70 -5.950 3.370 -14.890 1.00 0.00 C ATOM 660 CD1 ILE A 70 -5.890 0.630 -16.320 1.00 0.00 C ATOM 0 H ILE A 70 -9.242 2.483 -12.943 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.545 1.300 -12.556 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.759 2.348 -15.001 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.212 0.784 -14.296 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.786 0.034 -14.470 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.767 3.321 -15.963 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.463 4.302 -14.651 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.999 3.333 -14.358 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.412 -0.339 -16.464 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.832 0.655 -16.868 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.233 1.417 -16.691 1.00 0.00 H new ATOM 662 N ILE A 71 -5.720 3.360 -11.610 1.00 0.00 N ATOM 663 CA ILE A 71 -5.260 4.490 -10.800 1.00 0.00 C ATOM 664 C ILE A 71 -3.880 4.890 -11.300 1.00 0.00 C ATOM 665 O ILE A 71 -2.920 4.140 -11.210 1.00 0.00 O ATOM 666 CB ILE A 71 -5.210 4.120 -9.310 1.00 0.00 C ATOM 667 CG1 ILE A 71 -6.440 3.330 -8.800 1.00 0.00 C ATOM 668 CG2 ILE A 71 -4.940 5.380 -8.490 1.00 0.00 C ATOM 669 CD1 ILE A 71 -7.820 3.940 -9.070 1.00 0.00 C ATOM 0 H ILE A 71 -5.052 2.592 -11.679 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.956 5.323 -10.898 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.387 3.417 -9.179 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.415 2.337 -9.249 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.334 3.196 -7.724 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.903 5.124 -7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.986 5.813 -8.792 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.737 6.103 -8.661 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -8.592 3.288 -8.662 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.884 4.919 -8.596 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.966 4.047 -10.145 1.00 0.00 H new ATOM 671 N THR A 72 -3.820 6.000 -12.000 1.00 0.00 N ATOM 672 CA THR A 72 -2.540 6.500 -12.530 1.00 0.00 C ATOM 673 C THR A 72 -1.970 7.590 -11.620 1.00 0.00 C ATOM 674 O THR A 72 -2.650 8.100 -10.720 1.00 0.00 O ATOM 675 CB THR A 72 -2.720 7.000 -13.950 1.00 0.00 C ATOM 676 OG1 THR A 72 -3.860 7.840 -13.900 1.00 0.00 O ATOM 677 CG2 THR A 72 -2.900 5.860 -14.950 1.00 0.00 C ATOM 0 H THR A 72 -4.628 6.581 -12.223 1.00 0.00 H new ATOM 0 HA THR A 72 -1.822 5.680 -12.551 1.00 0.00 H new ATOM 0 HB THR A 72 -1.835 7.532 -14.299 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.618 7.388 -14.325 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.025 6.271 -15.952 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.021 5.216 -14.929 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.783 5.278 -14.684 1.00 0.00 H new ATOM 680 N GLY A 73 -0.680 7.820 -11.810 1.00 0.00 N ATOM 681 CA GLY A 73 0.080 8.830 -11.040 1.00 0.00 C ATOM 682 C GLY A 73 0.600 9.910 -11.990 1.00 0.00 C ATOM 683 O GLY A 73 0.700 9.690 -13.200 1.00 0.00 O ATOM 0 H GLY A 73 -0.118 7.320 -12.499 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.558 9.277 -10.278 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.913 8.356 -10.521 1.00 0.00 H new ATOM 685 N GLU A 74 1.050 11.000 -11.390 1.00 0.00 N ATOM 686 CA GLU A 74 1.700 12.100 -12.130 1.00 0.00 C ATOM 687 C GLU A 74 2.990 11.650 -12.850 1.00 0.00 C ATOM 688 O GLU A 74 3.480 12.310 -13.770 1.00 0.00 O ATOM 689 CB GLU A 74 2.000 13.250 -11.170 1.00 0.00 C ATOM 690 CG GLU A 74 2.430 14.540 -11.880 1.00 0.00 C ATOM 691 CD GLU A 74 1.370 15.650 -11.790 1.00 0.00 C ATOM 692 OE1 GLU A 74 0.170 15.320 -11.690 1.00 0.00 O ATOM 693 OE2 GLU A 74 1.810 16.820 -11.770 1.00 0.00 O ATOM 0 H GLU A 74 0.982 11.159 -10.385 1.00 0.00 H new ATOM 0 HA GLU A 74 1.009 12.431 -12.905 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.113 13.453 -10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.788 12.943 -10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.362 14.897 -11.442 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.633 14.322 -12.928 1.00 0.00 H new ATOM 695 N ALA A 75 3.510 10.520 -12.410 1.00 0.00 N ATOM 696 CA ALA A 75 4.670 9.870 -13.030 1.00 0.00 C ATOM 697 C ALA A 75 4.170 8.710 -13.910 1.00 0.00 C ATOM 698 O ALA A 75 3.340 7.890 -13.500 1.00 0.00 O ATOM 699 CB ALA A 75 5.610 9.360 -11.930 1.00 0.00 C ATOM 0 H ALA A 75 3.142 10.015 -11.604 1.00 0.00 H new ATOM 0 HA ALA A 75 5.221 10.575 -13.653 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.474 8.876 -12.385 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.944 10.199 -11.319 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.081 8.643 -11.303 1.00 0.00 H new ATOM 701 N THR A 76 4.670 8.720 -15.140 1.00 0.00 N ATOM 702 CA THR A 76 4.400 7.640 -16.100 1.00 0.00 C ATOM 703 C THR A 76 4.920 6.340 -15.500 1.00 0.00 C ATOM 704 O THR A 76 5.930 6.330 -14.800 1.00 0.00 O ATOM 705 CB THR A 76 5.020 7.980 -17.470 1.00 0.00 C ATOM 706 OG1 THR A 76 4.140 8.930 -18.070 1.00 0.00 O ATOM 707 CG2 THR A 76 5.230 6.830 -18.460 1.00 0.00 C ATOM 0 H THR A 76 5.267 9.463 -15.503 1.00 0.00 H new ATOM 0 HA THR A 76 3.332 7.523 -16.282 1.00 0.00 H new ATOM 0 HB THR A 76 6.032 8.331 -17.266 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.487 9.187 -18.950 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.673 7.216 -19.378 1.00 0.00 H new ATOM 0 HG22 THR A 76 5.897 6.088 -18.020 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.270 6.366 -18.687 1.00 0.00 H new ATOM 710 N GLN A 77 4.160 5.270 -15.780 1.00 0.00 N ATOM 711 CA GLN A 77 4.410 3.870 -15.360 1.00 0.00 C ATOM 712 C GLN A 77 3.940 3.650 -13.900 1.00 0.00 C ATOM 713 O GLN A 77 4.520 2.900 -13.110 1.00 0.00 O ATOM 714 CB GLN A 77 5.870 3.400 -15.520 1.00 0.00 C ATOM 715 CG GLN A 77 6.590 4.010 -16.720 1.00 0.00 C ATOM 716 CD GLN A 77 7.280 3.010 -17.620 1.00 0.00 C ATOM 717 OE1 GLN A 77 8.150 2.250 -17.220 1.00 0.00 O ATOM 718 NE2 GLN A 77 6.920 3.080 -18.880 1.00 0.00 N ATOM 0 H GLN A 77 3.308 5.356 -16.334 1.00 0.00 H new ATOM 0 HA GLN A 77 3.824 3.257 -16.045 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.422 3.648 -14.613 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.883 2.314 -15.615 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.868 4.573 -17.312 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.330 4.723 -16.358 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.188 3.730 -19.166 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.372 2.484 -19.573 1.00 0.00 H new ATOM 722 N GLU A 78 2.840 4.330 -13.590 1.00 0.00 N ATOM 723 CA GLU A 78 2.200 4.300 -12.270 1.00 0.00 C ATOM 724 C GLU A 78 0.680 4.120 -12.340 1.00 0.00 C ATOM 725 O GLU A 78 -0.090 4.810 -11.670 1.00 0.00 O ATOM 726 CB GLU A 78 2.620 5.470 -11.380 1.00 0.00 C ATOM 727 CG GLU A 78 4.050 5.290 -10.860 1.00 0.00 C ATOM 728 CD GLU A 78 4.150 5.570 -9.370 1.00 0.00 C ATOM 729 OE1 GLU A 78 3.830 6.720 -8.980 1.00 0.00 O ATOM 730 OE2 GLU A 78 4.600 4.650 -8.650 1.00 0.00 O ATOM 0 H GLU A 78 2.356 4.930 -14.258 1.00 0.00 H new ATOM 0 HA GLU A 78 2.578 3.402 -11.782 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.550 6.401 -11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.933 5.554 -10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.384 4.272 -11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.720 5.958 -11.401 1.00 0.00 H new ATOM 732 N ASP A 79 0.270 3.150 -13.150 1.00 0.00 N ATOM 733 CA ASP A 79 -1.140 2.800 -13.400 1.00 0.00 C ATOM 734 C ASP A 79 -1.510 1.530 -12.640 1.00 0.00 C ATOM 735 O ASP A 79 -1.180 0.440 -13.070 1.00 0.00 O ATOM 736 CB ASP A 79 -1.460 2.640 -14.890 1.00 0.00 C ATOM 737 CG ASP A 79 -0.280 2.300 -15.810 1.00 0.00 C ATOM 738 OD1 ASP A 79 0.610 1.540 -15.360 1.00 0.00 O ATOM 739 OD2 ASP A 79 -0.210 2.930 -16.880 1.00 0.00 O ATOM 0 H ASP A 79 0.922 2.563 -13.670 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.742 3.633 -13.037 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.212 1.858 -14.996 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.912 3.567 -15.243 1.00 0.00 H new ATOM 741 N TYR A 80 -1.960 1.730 -11.420 1.00 0.00 N ATOM 742 CA TYR A 80 -2.370 0.670 -10.480 1.00 0.00 C ATOM 743 C TYR A 80 -3.770 0.170 -10.850 1.00 0.00 C ATOM 744 O TYR A 80 -4.680 0.940 -11.120 1.00 0.00 O ATOM 745 CB TYR A 80 -2.450 1.260 -9.070 1.00 0.00 C ATOM 746 CG TYR A 80 -1.290 2.190 -8.750 1.00 0.00 C ATOM 747 CD1 TYR A 80 -0.100 1.640 -8.250 1.00 0.00 C ATOM 748 CD2 TYR A 80 -1.420 3.580 -8.960 1.00 0.00 C ATOM 749 CE1 TYR A 80 0.970 2.510 -7.970 1.00 0.00 C ATOM 750 CE2 TYR A 80 -0.370 4.450 -8.650 1.00 0.00 C ATOM 751 CZ TYR A 80 0.820 3.900 -8.150 1.00 0.00 C ATOM 752 OH TYR A 80 1.850 4.730 -7.880 1.00 0.00 O ATOM 0 H TYR A 80 -2.060 2.666 -11.026 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.648 -0.146 -10.524 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.387 1.806 -8.963 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.469 0.448 -8.343 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.008 0.577 -8.084 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.340 3.976 -9.364 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.909 2.111 -7.616 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.472 5.516 -8.792 1.00 0.00 H new ATOM 0 HH TYR A 80 2.678 4.211 -7.805 1.00 0.00 H new ATOM 755 N TYR A 81 -3.890 -1.150 -10.910 1.00 0.00 N ATOM 756 CA TYR A 81 -5.160 -1.780 -11.280 1.00 0.00 C ATOM 757 C TYR A 81 -5.680 -2.600 -10.110 1.00 0.00 C ATOM 758 O TYR A 81 -4.970 -3.420 -9.530 1.00 0.00 O ATOM 759 CB TYR A 81 -4.930 -2.710 -12.470 1.00 0.00 C ATOM 760 CG TYR A 81 -6.210 -3.110 -13.190 1.00 0.00 C ATOM 761 CD1 TYR A 81 -7.050 -4.090 -12.640 1.00 0.00 C ATOM 762 CD2 TYR A 81 -6.460 -2.540 -14.460 1.00 0.00 C ATOM 763 CE1 TYR A 81 -8.170 -4.520 -13.370 1.00 0.00 C ATOM 764 CE2 TYR A 81 -7.590 -2.960 -15.190 1.00 0.00 C ATOM 765 CZ TYR A 81 -8.420 -3.950 -14.630 1.00 0.00 C ATOM 766 OH TYR A 81 -9.510 -4.340 -15.320 1.00 0.00 O ATOM 0 H TYR A 81 -3.133 -1.804 -10.710 1.00 0.00 H new ATOM 0 HA TYR A 81 -5.885 -1.009 -11.541 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.263 -2.220 -13.179 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.422 -3.610 -12.124 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.838 -4.509 -11.667 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.794 -1.793 -14.865 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -8.829 -5.277 -12.970 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.814 -2.533 -16.156 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.482 -3.956 -16.221 1.00 0.00 H new ATOM 769 N THR A 82 -6.960 -2.370 -9.860 1.00 0.00 N ATOM 770 CA THR A 82 -7.740 -3.100 -8.840 1.00 0.00 C ATOM 771 C THR A 82 -8.350 -4.400 -9.380 1.00 0.00 C ATOM 772 O THR A 82 -7.930 -5.510 -9.090 1.00 0.00 O ATOM 773 CB THR A 82 -8.750 -2.210 -8.060 1.00 0.00 C ATOM 774 OG1 THR A 82 -9.940 -2.920 -7.690 1.00 0.00 O ATOM 775 CG2 THR A 82 -9.070 -0.860 -8.690 1.00 0.00 C ATOM 0 H THR A 82 -7.504 -1.666 -10.359 1.00 0.00 H new ATOM 0 HA THR A 82 -7.016 -3.406 -8.085 1.00 0.00 H new ATOM 0 HB THR A 82 -8.208 -1.959 -7.148 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.700 -3.698 -7.145 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.783 -0.325 -8.062 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.155 -0.274 -8.780 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.501 -1.013 -9.679 1.00 0.00 H new ATOM 778 N GLY A 83 -9.360 -4.190 -10.210 1.00 0.00 N ATOM 779 CA GLY A 83 -10.170 -5.280 -10.780 1.00 0.00 C ATOM 780 C GLY A 83 -11.080 -5.950 -9.760 1.00 0.00 C ATOM 781 O GLY A 83 -11.500 -7.090 -9.950 1.00 0.00 O ATOM 0 H GLY A 83 -9.650 -3.261 -10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.777 -4.885 -11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.506 -6.029 -11.212 1.00 0.00 H new ATOM 783 N ASP A 84 -11.350 -5.220 -8.680 1.00 0.00 N ATOM 784 CA ASP A 84 -12.240 -5.640 -7.580 1.00 0.00 C ATOM 785 C ASP A 84 -12.860 -4.450 -6.820 1.00 0.00 C ATOM 786 O ASP A 84 -13.340 -4.600 -5.710 1.00 0.00 O ATOM 787 CB ASP A 84 -11.480 -6.540 -6.610 1.00 0.00 C ATOM 788 CG ASP A 84 -11.180 -7.960 -7.070 1.00 0.00 C ATOM 789 OD1 ASP A 84 -12.060 -8.560 -7.720 1.00 0.00 O ATOM 790 OD2 ASP A 84 -10.100 -8.440 -6.660 1.00 0.00 O ATOM 0 H ASP A 84 -10.949 -4.294 -8.534 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.065 -6.190 -8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.534 -6.055 -6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.052 -6.598 -5.684 1.00 0.00 H new ATOM 792 N HIS A 85 -12.920 -3.300 -7.500 1.00 0.00 N ATOM 793 CA HIS A 85 -13.490 -2.020 -7.030 1.00 0.00 C ATOM 794 C HIS A 85 -12.810 -1.590 -5.750 1.00 0.00 C ATOM 795 O HIS A 85 -13.190 -1.990 -4.650 1.00 0.00 O ATOM 796 CB HIS A 85 -15.010 -2.170 -6.830 1.00 0.00 C ATOM 797 CG HIS A 85 -15.710 -0.830 -6.820 1.00 0.00 C ATOM 798 ND1 HIS A 85 -16.050 -0.150 -5.730 1.00 0.00 N ATOM 799 CD2 HIS A 85 -16.150 -0.170 -7.880 1.00 0.00 C ATOM 800 CE1 HIS A 85 -16.710 0.940 -6.110 1.00 0.00 C ATOM 801 NE2 HIS A 85 -16.760 0.930 -7.440 1.00 0.00 N ATOM 0 H HIS A 85 -12.552 -3.227 -8.449 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.318 -1.247 -7.779 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -15.422 -2.789 -7.627 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.204 -2.688 -5.891 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -16.036 -0.468 -8.912 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -17.128 1.694 -5.460 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -17.193 1.645 -8.025 1.00 0.00 H new ATOM 805 N TYR A 86 -11.650 -0.960 -5.960 1.00 0.00 N ATOM 806 CA TYR A 86 -10.820 -0.530 -4.820 1.00 0.00 C ATOM 807 C TYR A 86 -10.540 -1.640 -3.790 1.00 0.00 C ATOM 808 O TYR A 86 -10.800 -1.520 -2.600 1.00 0.00 O ATOM 809 CB TYR A 86 -11.510 0.650 -4.130 1.00 0.00 C ATOM 810 CG TYR A 86 -11.290 2.000 -4.800 1.00 0.00 C ATOM 811 CD1 TYR A 86 -10.650 2.110 -6.060 1.00 0.00 C ATOM 812 CD2 TYR A 86 -11.790 3.120 -4.100 1.00 0.00 C ATOM 813 CE1 TYR A 86 -10.510 3.380 -6.630 1.00 0.00 C ATOM 814 CE2 TYR A 86 -11.670 4.390 -4.690 1.00 0.00 C ATOM 815 CZ TYR A 86 -11.020 4.490 -5.930 1.00 0.00 C ATOM 816 OH TYR A 86 -10.730 5.700 -6.440 1.00 0.00 O ATOM 0 H TYR A 86 -11.268 -0.739 -6.880 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.848 -0.247 -5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -12.581 0.452 -4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.155 0.709 -3.101 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -10.279 1.233 -6.569 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -12.255 3.003 -3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -10.022 3.506 -7.585 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.068 5.267 -4.201 1.00 0.00 H new ATOM 0 HH TYR A 86 -9.796 5.922 -6.245 1.00 0.00 H new ATOM 819 N ALA A 87 -10.120 -2.780 -4.320 1.00 0.00 N ATOM 820 CA ALA A 87 -9.800 -3.910 -3.440 1.00 0.00 C ATOM 821 C ALA A 87 -8.330 -4.290 -3.480 1.00 0.00 C ATOM 822 O ALA A 87 -7.780 -4.750 -2.480 1.00 0.00 O ATOM 823 CB ALA A 87 -10.690 -5.110 -3.730 1.00 0.00 C ATOM 0 H ALA A 87 -9.994 -2.952 -5.318 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.005 -3.575 -2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.426 -5.929 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.733 -4.835 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.549 -5.426 -4.763 1.00 0.00 H new ATOM 825 N THR A 88 -7.710 -4.070 -4.630 1.00 0.00 N ATOM 826 CA THR A 88 -6.290 -4.410 -4.870 1.00 0.00 C ATOM 827 C THR A 88 -5.710 -3.390 -5.850 1.00 0.00 C ATOM 828 O THR A 88 -6.410 -2.460 -6.250 1.00 0.00 O ATOM 829 CB THR A 88 -6.190 -5.810 -5.480 1.00 0.00 C ATOM 830 OG1 THR A 88 -7.110 -5.850 -6.560 1.00 0.00 O ATOM 831 CG2 THR A 88 -6.490 -6.920 -4.460 1.00 0.00 C ATOM 0 H THR A 88 -8.170 -3.648 -5.437 1.00 0.00 H new ATOM 0 HA THR A 88 -5.738 -4.391 -3.930 1.00 0.00 H new ATOM 0 HB THR A 88 -5.170 -5.995 -5.818 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.681 -5.498 -7.368 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.405 -7.892 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.777 -6.861 -3.638 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.501 -6.795 -4.073 1.00 0.00 H new ATOM 834 N PHE A 89 -4.390 -3.410 -6.020 1.00 0.00 N ATOM 835 CA PHE A 89 -3.660 -2.410 -6.830 1.00 0.00 C ATOM 836 C PHE A 89 -2.330 -3.010 -7.260 1.00 0.00 C ATOM 837 O PHE A 89 -1.520 -3.410 -6.420 1.00 0.00 O ATOM 838 CB PHE A 89 -3.380 -1.120 -6.040 1.00 0.00 C ATOM 839 CG PHE A 89 -4.660 -0.450 -5.540 1.00 0.00 C ATOM 840 CD1 PHE A 89 -5.370 0.450 -6.360 1.00 0.00 C ATOM 841 CD2 PHE A 89 -5.150 -0.790 -4.250 1.00 0.00 C ATOM 842 CE1 PHE A 89 -6.570 1.030 -5.890 1.00 0.00 C ATOM 843 CE2 PHE A 89 -6.360 -0.240 -3.790 1.00 0.00 C ATOM 844 CZ PHE A 89 -7.050 0.680 -4.620 1.00 0.00 C ATOM 0 H PHE A 89 -3.786 -4.118 -5.603 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.281 -2.154 -7.689 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.738 -1.351 -5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.832 -0.422 -6.673 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.998 0.696 -7.344 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.593 -1.471 -3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.112 1.735 -6.503 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.756 -0.513 -2.823 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.969 1.122 -4.265 1.00 0.00 H new ATOM 846 N SER A 90 -2.220 -3.150 -8.570 1.00 0.00 N ATOM 847 CA SER A 90 -1.020 -3.730 -9.180 1.00 0.00 C ATOM 848 C SER A 90 -0.630 -2.940 -10.420 1.00 0.00 C ATOM 849 O SER A 90 -1.460 -2.790 -11.310 1.00 0.00 O ATOM 850 CB SER A 90 -1.220 -5.200 -9.560 1.00 0.00 C ATOM 851 OG SER A 90 -1.740 -5.930 -8.440 1.00 0.00 O ATOM 0 H SER A 90 -2.941 -2.873 -9.236 1.00 0.00 H new ATOM 0 HA SER A 90 -0.224 -3.679 -8.437 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.906 -5.276 -10.404 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.272 -5.634 -9.879 1.00 0.00 H new ATOM 0 HG SER A 90 -1.867 -6.869 -8.692 1.00 0.00 H new ATOM 854 N LEU A 91 0.520 -2.270 -10.340 1.00 0.00 N ATOM 855 CA LEU A 91 1.070 -1.480 -11.470 1.00 0.00 C ATOM 856 C LEU A 91 0.920 -2.190 -12.820 1.00 0.00 C ATOM 857 O LEU A 91 0.740 -3.390 -12.870 1.00 0.00 O ATOM 858 CB LEU A 91 2.560 -1.140 -11.260 1.00 0.00 C ATOM 859 CG LEU A 91 2.760 0.060 -10.340 1.00 0.00 C ATOM 860 CD1 LEU A 91 4.230 0.480 -10.290 1.00 0.00 C ATOM 861 CD2 LEU A 91 1.970 1.240 -10.890 1.00 0.00 C ATOM 0 H LEU A 91 1.101 -2.252 -9.502 1.00 0.00 H new ATOM 0 HA LEU A 91 0.481 -0.563 -11.490 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.071 -2.006 -10.839 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.022 -0.935 -12.226 1.00 0.00 H new ATOM 0 HG LEU A 91 2.426 -0.222 -9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.341 1.338 -9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.833 -0.348 -9.917 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.565 0.750 -11.291 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.106 2.104 -10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.326 1.481 -11.892 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.912 0.981 -10.933 1.00 0.00 H new ATOM 863 N ILE A 92 1.000 -1.460 -13.910 1.00 0.00 N ATOM 864 CA ILE A 92 0.850 -2.080 -15.240 1.00 0.00 C ATOM 865 C ILE A 92 2.200 -2.070 -15.960 1.00 0.00 C ATOM 866 O ILE A 92 2.820 -1.020 -16.140 1.00 0.00 O ATOM 867 CB ILE A 92 -0.300 -1.400 -16.000 1.00 0.00 C ATOM 868 CG1 ILE A 92 -1.630 -2.050 -15.690 1.00 0.00 C ATOM 869 CG2 ILE A 92 -0.170 -1.430 -17.530 1.00 0.00 C ATOM 870 CD1 ILE A 92 -2.190 -1.870 -14.290 1.00 0.00 C ATOM 0 H ILE A 92 1.165 -0.453 -13.921 1.00 0.00 H new ATOM 0 HA ILE A 92 0.565 -3.129 -15.163 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.246 -0.367 -15.656 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.365 -1.666 -16.398 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.534 -3.119 -15.879 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.027 -0.927 -17.978 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.746 -0.920 -17.827 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.137 -2.464 -17.872 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.146 -2.388 -14.211 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.491 -2.284 -13.563 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.335 -0.808 -14.090 1.00 0.00 H new ATOM 872 N ASP A 93 2.560 -3.250 -16.430 1.00 0.00 N ATOM 873 CA ASP A 93 3.790 -3.410 -17.220 1.00 0.00 C ATOM 874 C ASP A 93 3.410 -3.650 -18.680 1.00 0.00 C ATOM 875 O ASP A 93 3.210 -4.790 -19.100 1.00 0.00 O ATOM 876 CB ASP A 93 4.650 -4.550 -16.670 1.00 0.00 C ATOM 877 CG ASP A 93 6.060 -4.090 -16.250 1.00 0.00 C ATOM 878 OD1 ASP A 93 6.430 -2.940 -16.590 1.00 0.00 O ATOM 879 OD2 ASP A 93 6.770 -4.940 -15.680 1.00 0.00 O ATOM 0 H ASP A 93 2.031 -4.110 -16.286 1.00 0.00 H new ATOM 0 HA ASP A 93 4.389 -2.502 -17.152 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.148 -4.995 -15.811 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.738 -5.329 -17.427 1.00 0.00 H new ATOM 881 N GLN A 94 3.340 -2.550 -19.430 1.00 0.00 N ATOM 882 CA GLN A 94 3.020 -2.600 -20.870 1.00 0.00 C ATOM 883 C GLN A 94 4.050 -3.430 -21.660 1.00 0.00 C ATOM 884 O GLN A 94 3.690 -4.200 -22.550 1.00 0.00 O ATOM 885 CB GLN A 94 2.950 -1.210 -21.490 1.00 0.00 C ATOM 886 CG GLN A 94 2.100 -0.230 -20.680 1.00 0.00 C ATOM 887 CD GLN A 94 3.000 0.910 -20.200 1.00 0.00 C ATOM 888 OE1 GLN A 94 3.730 0.810 -19.230 1.00 0.00 O ATOM 889 NE2 GLN A 94 3.040 1.950 -21.000 1.00 0.00 N ATOM 0 H GLN A 94 3.500 -1.609 -19.070 1.00 0.00 H new ATOM 0 HA GLN A 94 2.041 -3.075 -20.935 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.960 -0.811 -21.586 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.541 -1.289 -22.497 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.287 0.161 -21.291 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.644 -0.737 -19.829 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.413 2.000 -21.803 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.698 2.708 -20.818 1.00 0.00 H new ATOM 893 N THR A 95 5.280 -3.410 -21.140 1.00 0.00 N ATOM 894 CA THR A 95 6.410 -4.250 -21.610 1.00 0.00 C ATOM 895 C THR A 95 6.090 -5.750 -21.580 1.00 0.00 C ATOM 896 O THR A 95 6.520 -6.520 -22.440 1.00 0.00 O ATOM 897 CB THR A 95 7.710 -3.950 -20.840 1.00 0.00 C ATOM 898 OG1 THR A 95 8.690 -4.930 -21.170 1.00 0.00 O ATOM 899 CG2 THR A 95 7.550 -3.870 -19.320 1.00 0.00 C ATOM 0 H THR A 95 5.534 -2.800 -20.363 1.00 0.00 H new ATOM 0 HA THR A 95 6.567 -3.979 -22.654 1.00 0.00 H new ATOM 0 HB THR A 95 8.023 -2.954 -21.154 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.519 -4.741 -20.683 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.516 -3.655 -18.863 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.846 -3.076 -19.070 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.174 -4.821 -18.943 1.00 0.00 H new ATOM 902 N CYS A 96 5.280 -6.150 -20.600 1.00 0.00 N ATOM 903 CA CYS A 96 4.860 -7.550 -20.460 1.00 0.00 C ATOM 904 C CYS A 96 3.700 -7.880 -21.430 1.00 0.00 C ATOM 905 O CYS A 96 2.520 -7.640 -21.070 1.00 0.00 O ATOM 906 CB CYS A 96 4.520 -7.780 -18.980 1.00 0.00 C ATOM 907 SG CYS A 96 4.540 -9.550 -18.500 1.00 0.00 S ATOM 908 OXT CYS A 96 4.030 -8.320 -22.550 1.00 0.00 O ATOM 0 H CYS A 96 4.899 -5.526 -19.889 1.00 0.00 H new ATOM 0 HA CYS A 96 5.658 -8.238 -20.741 1.00 0.00 H new ATOM 0 HB2 CYS A 96 5.233 -7.234 -18.361 1.00 0.00 H new ATOM 0 HB3 CYS A 96 3.534 -7.365 -18.772 1.00 0.00 H new