USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 163 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 GLN : amide:sc= -6.22! C(o=-8.1!,f=-15!) USER MOD Set 1.2: A 56 THR OG1 : rot 150:sc= -1.86! USER MOD Set 2.1: A 39 ASN : amide:sc= -2.81 K(o=-1.7,f=-6.4!) USER MOD Set 2.2: A 46 THR OG1 : rot -38:sc= 0.975 USER MOD Set 2.3: A 52 TYR OH : rot -111:sc= -1.51! USER MOD Set 2.4: A 80 TYR OH : rot 54:sc= 1.66 USER MOD Single : A 1 ASP N :NH3+ 142:sc= 0.0668 (180deg=-0.0631) 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= -1.85! USER MOD Single : A 18 THR OG1 : rot -142:sc= -0.399 USER MOD Single : A 20 ASN : amide:sc= -0.0217 X(o=-0.022,f=-0.23) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 152:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.783 K(o=-0.78,f=-1.7) USER MOD Single : A 42 SER OG : rot -53:sc= 0.435 USER MOD Single : A 47 GLN : amide:sc= -0.0579 K(o=-0.058,f=-1.2!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.571 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot -170:sc= 0.116 USER MOD Single : A 53 HIS : no HD1:sc= -0.962 K(o=-0.96,f=-2.3) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 52:sc= 0.653 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -135:sc= 0.825 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.8!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.254 USER MOD Single : A 82 THR OG1 : rot 50:sc= 0.853 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -62:sc= 2.11 USER MOD Single : A 88 THR OG1 : rot 86:sc= 0.483 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0.0153 X(o=0.015,f=-0.021) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.320 0.070 0.080 1.00 0.00 N ATOM 2 CA ASP A 1 2.060 0.030 -1.190 1.00 0.00 C ATOM 3 C ASP A 1 1.670 -1.230 -2.000 1.00 0.00 C ATOM 4 O ASP A 1 0.910 -2.070 -1.530 1.00 0.00 O ATOM 5 CB ASP A 1 3.570 0.080 -0.930 1.00 0.00 C ATOM 6 CG ASP A 1 4.080 -0.920 0.120 1.00 0.00 C ATOM 7 OD1 ASP A 1 3.730 -2.120 0.020 1.00 0.00 O ATOM 8 OD2 ASP A 1 4.840 -0.460 1.000 1.00 0.00 O ATOM 0 H1 ASP A 1 1.940 0.433 0.832 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.494 0.694 -0.019 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.001 -0.889 0.327 1.00 0.00 H new ATOM 0 HA ASP A 1 1.793 0.906 -1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 1 4.092 -0.104 -1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 1 3.836 1.088 -0.610 1.00 0.00 H new ATOM 12 N VAL A 2 2.220 -1.330 -3.210 1.00 0.00 N ATOM 13 CA VAL A 2 2.050 -2.490 -4.110 1.00 0.00 C ATOM 14 C VAL A 2 2.150 -3.790 -3.290 1.00 0.00 C ATOM 15 O VAL A 2 3.030 -3.920 -2.440 1.00 0.00 O ATOM 16 CB VAL A 2 3.150 -2.450 -5.170 1.00 0.00 C ATOM 17 CG1 VAL A 2 3.000 -3.500 -6.270 1.00 0.00 C ATOM 18 CG2 VAL A 2 3.100 -1.120 -5.880 1.00 0.00 C ATOM 0 H VAL A 2 2.809 -0.598 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 2 1.075 -2.454 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 2 4.078 -2.634 -4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.821 -3.402 -6.980 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.019 -4.496 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.052 -3.352 -6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.882 -1.083 -6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.127 -0.998 -6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.255 -0.317 -5.160 1.00 0.00 H new ATOM 20 N SER A 3 1.320 -4.760 -3.660 1.00 0.00 N ATOM 21 CA SER A 3 1.320 -6.080 -2.990 1.00 0.00 C ATOM 22 C SER A 3 2.470 -6.990 -3.440 1.00 0.00 C ATOM 23 O SER A 3 2.500 -8.190 -3.160 1.00 0.00 O ATOM 24 CB SER A 3 -0.020 -6.800 -3.170 1.00 0.00 C ATOM 25 OG SER A 3 -1.000 -6.210 -2.310 1.00 0.00 O ATOM 0 H SER A 3 0.639 -4.670 -4.414 1.00 0.00 H new ATOM 0 HA SER A 3 1.473 -5.870 -1.932 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.344 -6.732 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.091 -7.860 -2.939 1.00 0.00 H new ATOM 0 HG SER A 3 -1.857 -6.670 -2.427 1.00 0.00 H new ATOM 28 N GLY A 4 3.430 -6.380 -4.140 1.00 0.00 N ATOM 29 CA GLY A 4 4.610 -7.050 -4.700 1.00 0.00 C ATOM 30 C GLY A 4 4.460 -7.190 -6.210 1.00 0.00 C ATOM 31 O GLY A 4 3.540 -6.650 -6.810 1.00 0.00 O ATOM 0 H GLY A 4 3.409 -5.380 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.508 -6.478 -4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.731 -8.033 -4.245 1.00 0.00 H new ATOM 33 N THR A 5 5.470 -7.760 -6.820 1.00 0.00 N ATOM 34 CA THR A 5 5.510 -7.970 -8.280 1.00 0.00 C ATOM 35 C THR A 5 4.710 -9.210 -8.670 1.00 0.00 C ATOM 36 O THR A 5 4.130 -9.900 -7.840 1.00 0.00 O ATOM 37 CB THR A 5 7.000 -8.040 -8.680 1.00 0.00 C ATOM 38 OG1 THR A 5 7.740 -7.060 -7.930 1.00 0.00 O ATOM 39 CG2 THR A 5 7.230 -7.670 -10.140 1.00 0.00 C ATOM 0 H THR A 5 6.299 -8.099 -6.333 1.00 0.00 H new ATOM 0 HA THR A 5 5.037 -7.152 -8.823 1.00 0.00 H new ATOM 0 HB THR A 5 7.317 -9.066 -8.492 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.687 -7.103 -8.180 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.294 -7.735 -10.369 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.678 -8.358 -10.781 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.883 -6.652 -10.316 1.00 0.00 H new ATOM 42 N VAL A 6 4.580 -9.410 -9.980 1.00 0.00 N ATOM 43 CA VAL A 6 3.760 -10.480 -10.560 1.00 0.00 C ATOM 44 C VAL A 6 4.490 -10.980 -11.800 1.00 0.00 C ATOM 45 O VAL A 6 4.880 -10.220 -12.700 1.00 0.00 O ATOM 46 CB VAL A 6 2.310 -9.990 -10.800 1.00 0.00 C ATOM 47 CG1 VAL A 6 2.050 -9.260 -12.110 1.00 0.00 C ATOM 48 CG2 VAL A 6 1.350 -11.160 -10.670 1.00 0.00 C ATOM 0 H VAL A 6 5.044 -8.830 -10.679 1.00 0.00 H new ATOM 0 HA VAL A 6 3.640 -11.326 -9.883 1.00 0.00 H new ATOM 0 HB VAL A 6 2.145 -9.236 -10.030 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.001 -8.967 -12.162 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.678 -8.370 -12.162 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.284 -9.919 -12.946 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.330 -10.814 -10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.602 -11.921 -11.408 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.428 -11.585 -9.669 1.00 0.00 H new ATOM 50 N CYS A 7 4.970 -12.200 -11.630 1.00 0.00 N ATOM 51 CA CYS A 7 5.660 -12.920 -12.700 1.00 0.00 C ATOM 52 C CYS A 7 4.870 -12.810 -14.000 1.00 0.00 C ATOM 53 O CYS A 7 3.650 -12.930 -13.990 1.00 0.00 O ATOM 54 CB CYS A 7 5.770 -14.370 -12.270 1.00 0.00 C ATOM 55 SG CYS A 7 6.820 -14.570 -10.790 1.00 0.00 S ATOM 0 H CYS A 7 4.896 -12.721 -10.756 1.00 0.00 H new ATOM 0 HA CYS A 7 6.649 -12.497 -12.876 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.774 -14.763 -12.063 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.182 -14.960 -13.089 1.00 0.00 H new ATOM 57 N LEU A 8 5.540 -12.410 -15.070 1.00 0.00 N ATOM 58 CA LEU A 8 4.850 -12.220 -16.370 1.00 0.00 C ATOM 59 C LEU A 8 4.130 -13.500 -16.820 1.00 0.00 C ATOM 60 O LEU A 8 2.990 -13.440 -17.260 1.00 0.00 O ATOM 61 CB LEU A 8 5.830 -11.790 -17.460 1.00 0.00 C ATOM 62 CG LEU A 8 5.300 -10.690 -18.400 1.00 0.00 C ATOM 63 CD1 LEU A 8 5.920 -11.000 -19.760 1.00 0.00 C ATOM 64 CD2 LEU A 8 3.780 -10.570 -18.550 1.00 0.00 C ATOM 0 H LEU A 8 6.540 -12.210 -15.082 1.00 0.00 H new ATOM 0 HA LEU A 8 4.111 -11.433 -16.219 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.746 -11.436 -16.988 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.096 -12.663 -18.057 1.00 0.00 H new ATOM 0 HG LEU A 8 5.577 -9.729 -17.966 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.590 -10.259 -20.488 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.007 -10.971 -19.680 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.607 -11.992 -20.085 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.545 -9.758 -19.239 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.378 -11.505 -18.941 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.334 -10.361 -17.578 1.00 0.00 H new ATOM 66 N SER A 9 4.730 -14.640 -16.470 1.00 0.00 N ATOM 67 CA SER A 9 4.130 -15.980 -16.690 1.00 0.00 C ATOM 68 C SER A 9 2.860 -16.210 -15.850 1.00 0.00 C ATOM 69 O SER A 9 1.940 -16.920 -16.250 1.00 0.00 O ATOM 70 CB SER A 9 5.160 -17.060 -16.370 1.00 0.00 C ATOM 71 OG SER A 9 4.610 -18.350 -16.640 1.00 0.00 O ATOM 0 H SER A 9 5.647 -14.672 -16.025 1.00 0.00 H new ATOM 0 HA SER A 9 3.835 -16.033 -17.738 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.059 -16.906 -16.967 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.457 -16.993 -15.323 1.00 0.00 H new ATOM 0 HG SER A 9 5.276 -19.039 -16.434 1.00 0.00 H new ATOM 74 N ALA A 10 2.790 -15.520 -14.700 1.00 0.00 N ATOM 75 CA ALA A 10 1.600 -15.520 -13.820 1.00 0.00 C ATOM 76 C ALA A 10 0.470 -14.640 -14.400 1.00 0.00 C ATOM 77 O ALA A 10 -0.700 -14.790 -14.040 1.00 0.00 O ATOM 78 CB ALA A 10 2.000 -15.020 -12.430 1.00 0.00 C ATOM 0 H ALA A 10 3.556 -14.944 -14.350 1.00 0.00 H new ATOM 0 HA ALA A 10 1.220 -16.539 -13.750 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.126 -15.018 -11.779 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.763 -15.677 -12.012 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.396 -14.008 -12.508 1.00 0.00 H new ATOM 80 N LEU A 11 0.840 -13.730 -15.290 1.00 0.00 N ATOM 81 CA LEU A 11 -0.100 -12.870 -16.000 1.00 0.00 C ATOM 82 C LEU A 11 -0.680 -13.490 -17.280 1.00 0.00 C ATOM 83 O LEU A 11 -0.100 -14.450 -17.800 1.00 0.00 O ATOM 84 CB LEU A 11 0.560 -11.530 -16.310 1.00 0.00 C ATOM 85 CG LEU A 11 0.520 -10.590 -15.100 1.00 0.00 C ATOM 86 CD1 LEU A 11 0.850 -9.220 -15.650 1.00 0.00 C ATOM 87 CD2 LEU A 11 -0.850 -10.470 -14.450 1.00 0.00 C ATOM 0 H LEU A 11 1.814 -13.565 -15.544 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.950 -12.730 -15.332 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.595 -11.694 -16.610 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.054 -11.061 -17.153 1.00 0.00 H new ATOM 0 HG LEU A 11 1.204 -10.977 -14.344 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.841 -8.491 -14.840 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.839 -9.240 -16.108 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.109 -8.940 -16.399 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.792 -9.787 -13.602 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.565 -10.086 -15.177 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.176 -11.451 -14.104 1.00 0.00 H new ATOM 89 N PRO A 12 -1.830 -13.000 -17.750 1.00 0.00 N ATOM 90 CA PRO A 12 -2.470 -13.530 -18.970 1.00 0.00 C ATOM 91 C PRO A 12 -1.670 -13.190 -20.250 1.00 0.00 C ATOM 92 O PRO A 12 -0.820 -12.290 -20.220 1.00 0.00 O ATOM 93 CB PRO A 12 -3.880 -12.940 -18.890 1.00 0.00 C ATOM 94 CG PRO A 12 -3.760 -11.620 -18.150 1.00 0.00 C ATOM 95 CD PRO A 12 -2.680 -11.960 -17.130 1.00 0.00 C ATOM 0 HA PRO A 12 -2.503 -14.618 -19.028 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.293 -12.788 -19.887 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.554 -13.618 -18.366 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.464 -10.803 -18.808 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.697 -11.325 -17.677 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.092 -11.077 -16.879 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.123 -12.323 -16.202 1.00 0.00 H new ATOM 96 N PRO A 13 -1.990 -13.820 -21.400 1.00 0.00 N ATOM 97 CA PRO A 13 -1.320 -13.520 -22.690 1.00 0.00 C ATOM 98 C PRO A 13 -1.640 -12.130 -23.260 1.00 0.00 C ATOM 99 O PRO A 13 -0.880 -11.570 -24.050 1.00 0.00 O ATOM 100 CB PRO A 13 -1.750 -14.650 -23.620 1.00 0.00 C ATOM 101 CG PRO A 13 -3.110 -15.110 -23.090 1.00 0.00 C ATOM 102 CD PRO A 13 -3.050 -14.840 -21.590 1.00 0.00 C ATOM 0 HA PRO A 13 -0.238 -13.476 -22.562 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.826 -14.304 -24.651 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.027 -15.466 -23.609 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.925 -14.559 -23.560 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.279 -16.167 -23.296 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.010 -14.479 -21.220 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.818 -15.751 -21.039 1.00 0.00 H new ATOM 103 N GLU A 14 -2.670 -11.510 -22.700 1.00 0.00 N ATOM 104 CA GLU A 14 -3.110 -10.150 -23.030 1.00 0.00 C ATOM 105 C GLU A 14 -2.500 -9.060 -22.130 1.00 0.00 C ATOM 106 O GLU A 14 -2.590 -7.880 -22.420 1.00 0.00 O ATOM 107 CB GLU A 14 -4.640 -10.110 -22.990 1.00 0.00 C ATOM 108 CG GLU A 14 -5.250 -10.720 -21.720 1.00 0.00 C ATOM 109 CD GLU A 14 -5.650 -12.190 -21.880 1.00 0.00 C ATOM 110 OE1 GLU A 14 -5.310 -12.800 -22.920 1.00 0.00 O ATOM 111 OE2 GLU A 14 -6.210 -12.720 -20.900 1.00 0.00 O ATOM 0 H GLU A 14 -3.244 -11.949 -21.980 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.747 -9.919 -24.031 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.968 -9.074 -23.076 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.029 -10.641 -23.859 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.532 -10.634 -20.904 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.129 -10.142 -21.434 1.00 0.00 H new ATOM 113 N ALA A 15 -1.770 -9.520 -21.110 1.00 0.00 N ATOM 114 CA ALA A 15 -1.020 -8.660 -20.190 1.00 0.00 C ATOM 115 C ALA A 15 0.330 -8.240 -20.780 1.00 0.00 C ATOM 116 O ALA A 15 0.620 -7.040 -20.860 1.00 0.00 O ATOM 117 CB ALA A 15 -0.820 -9.340 -18.840 1.00 0.00 C ATOM 0 H ALA A 15 -1.682 -10.514 -20.897 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.615 -7.759 -20.039 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.261 -8.678 -18.179 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.791 -9.561 -18.396 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.265 -10.268 -18.979 1.00 0.00 H new ATOM 119 N THR A 16 1.000 -9.220 -21.390 1.00 0.00 N ATOM 120 CA THR A 16 2.270 -8.990 -22.120 1.00 0.00 C ATOM 121 C THR A 16 2.090 -7.980 -23.260 1.00 0.00 C ATOM 122 O THR A 16 3.030 -7.260 -23.610 1.00 0.00 O ATOM 123 CB THR A 16 2.900 -10.320 -22.580 1.00 0.00 C ATOM 124 OG1 THR A 16 4.230 -10.260 -22.090 1.00 0.00 O ATOM 125 CG2 THR A 16 2.950 -10.610 -24.090 1.00 0.00 C ATOM 0 H THR A 16 0.689 -10.191 -21.398 1.00 0.00 H new ATOM 0 HA THR A 16 2.981 -8.538 -21.429 1.00 0.00 H new ATOM 0 HB THR A 16 2.270 -11.124 -22.201 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.708 -11.078 -22.340 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.419 -11.579 -24.259 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.937 -10.622 -24.492 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.529 -9.834 -24.591 1.00 0.00 H new ATOM 128 N ASP A 17 0.880 -7.940 -23.800 1.00 0.00 N ATOM 129 CA ASP A 17 0.500 -7.060 -24.910 1.00 0.00 C ATOM 130 C ASP A 17 0.900 -5.620 -24.600 1.00 0.00 C ATOM 131 O ASP A 17 1.810 -5.100 -25.220 1.00 0.00 O ATOM 132 CB ASP A 17 -1.010 -7.130 -25.180 1.00 0.00 C ATOM 133 CG ASP A 17 -1.410 -6.440 -26.500 1.00 0.00 C ATOM 134 OD1 ASP A 17 -0.510 -6.170 -27.320 1.00 0.00 O ATOM 135 OD2 ASP A 17 -2.640 -6.250 -26.670 1.00 0.00 O ATOM 0 H ASP A 17 0.114 -8.530 -23.475 1.00 0.00 H new ATOM 0 HA ASP A 17 1.026 -7.399 -25.802 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.322 -8.174 -25.211 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.545 -6.662 -24.353 1.00 0.00 H new ATOM 137 N THR A 18 0.390 -5.100 -23.500 1.00 0.00 N ATOM 138 CA THR A 18 0.730 -3.750 -23.030 1.00 0.00 C ATOM 139 C THR A 18 2.230 -3.530 -22.870 1.00 0.00 C ATOM 140 O THR A 18 2.750 -2.550 -23.380 1.00 0.00 O ATOM 141 CB THR A 18 -0.050 -3.520 -21.760 1.00 0.00 C ATOM 142 OG1 THR A 18 -1.420 -3.430 -22.100 1.00 0.00 O ATOM 143 CG2 THR A 18 0.370 -2.270 -21.030 1.00 0.00 C ATOM 0 H THR A 18 -0.272 -5.592 -22.900 1.00 0.00 H new ATOM 0 HA THR A 18 0.449 -3.008 -23.778 1.00 0.00 H new ATOM 0 HB THR A 18 0.145 -4.354 -21.086 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.852 -2.750 -21.541 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.227 -2.159 -20.125 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.424 -2.342 -20.763 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.217 -1.404 -21.674 1.00 0.00 H new ATOM 146 N LEU A 19 2.900 -4.440 -22.180 1.00 0.00 N ATOM 147 CA LEU A 19 4.370 -4.380 -22.000 1.00 0.00 C ATOM 148 C LEU A 19 5.120 -4.300 -23.330 1.00 0.00 C ATOM 149 O LEU A 19 5.980 -3.450 -23.490 1.00 0.00 O ATOM 150 CB LEU A 19 4.840 -5.610 -21.220 1.00 0.00 C ATOM 151 CG LEU A 19 3.910 -6.010 -20.070 1.00 0.00 C ATOM 152 CD1 LEU A 19 4.610 -7.130 -19.340 1.00 0.00 C ATOM 153 CD2 LEU A 19 3.580 -4.870 -19.090 1.00 0.00 C ATOM 0 H LEU A 19 2.459 -5.240 -21.727 1.00 0.00 H new ATOM 0 HA LEU A 19 4.593 -3.469 -21.446 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.933 -6.450 -21.908 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.835 -5.415 -20.819 1.00 0.00 H new ATOM 0 HG LEU A 19 2.946 -6.302 -20.486 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.994 -7.461 -18.504 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.773 -7.964 -20.023 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.570 -6.776 -18.965 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.917 -5.242 -18.309 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.501 -4.500 -18.639 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.088 -4.059 -19.627 1.00 0.00 H new ATOM 155 N ASN A 20 4.570 -4.990 -24.330 1.00 0.00 N ATOM 156 CA ASN A 20 5.050 -4.940 -25.720 1.00 0.00 C ATOM 157 C ASN A 20 4.720 -3.600 -26.360 1.00 0.00 C ATOM 158 O ASN A 20 5.570 -3.010 -27.000 1.00 0.00 O ATOM 159 CB ASN A 20 4.350 -6.010 -26.550 1.00 0.00 C ATOM 160 CG ASN A 20 5.340 -6.860 -27.320 1.00 0.00 C ATOM 161 OD1 ASN A 20 6.380 -6.420 -27.790 1.00 0.00 O ATOM 162 ND2 ASN A 20 4.990 -8.110 -27.440 1.00 0.00 N ATOM 0 H ASN A 20 3.769 -5.608 -24.200 1.00 0.00 H new ATOM 0 HA ASN A 20 6.129 -5.096 -25.698 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.756 -6.647 -25.895 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.659 -5.536 -27.247 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.593 -8.762 -27.941 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.113 -8.436 -27.032 1.00 0.00 H new ATOM 166 N LEU A 21 3.550 -3.070 -26.080 1.00 0.00 N ATOM 167 CA LEU A 21 3.140 -1.750 -26.550 1.00 0.00 C ATOM 168 C LEU A 21 3.930 -0.640 -25.840 1.00 0.00 C ATOM 169 O LEU A 21 4.190 0.380 -26.440 1.00 0.00 O ATOM 170 CB LEU A 21 1.660 -1.630 -26.230 1.00 0.00 C ATOM 171 CG LEU A 21 0.700 -2.700 -26.750 1.00 0.00 C ATOM 172 CD1 LEU A 21 -0.660 -2.560 -26.060 1.00 0.00 C ATOM 173 CD2 LEU A 21 0.550 -2.660 -28.260 1.00 0.00 C ATOM 0 H LEU A 21 2.844 -3.542 -25.515 1.00 0.00 H new ATOM 0 HA LEU A 21 3.332 -1.640 -27.617 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.560 -1.597 -25.145 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.318 -0.668 -26.611 1.00 0.00 H new ATOM 0 HG LEU A 21 1.127 -3.673 -26.507 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.339 -3.326 -26.435 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.536 -2.681 -24.984 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.074 -1.574 -26.269 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.142 -3.440 -28.578 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.163 -1.687 -28.562 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.521 -2.825 -28.727 1.00 0.00 H new ATOM 175 N ILE A 22 4.330 -0.790 -24.580 1.00 0.00 N ATOM 176 CA ILE A 22 5.220 0.170 -23.890 1.00 0.00 C ATOM 177 C ILE A 22 6.660 0.070 -24.410 1.00 0.00 C ATOM 178 O ILE A 22 7.340 1.070 -24.570 1.00 0.00 O ATOM 179 CB ILE A 22 5.120 -0.040 -22.370 1.00 0.00 C ATOM 180 CG1 ILE A 22 3.820 0.590 -21.920 1.00 0.00 C ATOM 181 CG2 ILE A 22 6.280 0.520 -21.530 1.00 0.00 C ATOM 182 CD1 ILE A 22 3.040 -0.430 -21.100 1.00 0.00 C ATOM 0 H ILE A 22 4.051 -1.580 -23.998 1.00 0.00 H new ATOM 0 HA ILE A 22 4.895 1.187 -24.109 1.00 0.00 H new ATOM 0 HB ILE A 22 5.167 -1.116 -22.200 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.018 1.481 -21.325 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.235 0.907 -22.783 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.099 0.312 -20.475 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.213 0.048 -21.838 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.351 1.597 -21.681 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.100 0.011 -20.769 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.833 -1.308 -21.712 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.628 -0.725 -20.231 1.00 0.00 H new ATOM 184 N ALA A 23 7.070 -1.170 -24.680 1.00 0.00 N ATOM 185 CA ALA A 23 8.410 -1.480 -25.200 1.00 0.00 C ATOM 186 C ALA A 23 8.570 -1.080 -26.670 1.00 0.00 C ATOM 187 O ALA A 23 9.510 -0.380 -27.030 1.00 0.00 O ATOM 188 CB ALA A 23 8.710 -2.970 -25.030 1.00 0.00 C ATOM 0 H ALA A 23 6.483 -1.993 -24.545 1.00 0.00 H new ATOM 0 HA ALA A 23 9.124 -0.893 -24.622 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.705 -3.187 -25.419 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.668 -3.231 -23.973 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.971 -3.555 -25.577 1.00 0.00 H new ATOM 190 N SER A 24 7.540 -1.370 -27.460 1.00 0.00 N ATOM 191 CA SER A 24 7.460 -1.030 -28.890 1.00 0.00 C ATOM 192 C SER A 24 6.750 0.310 -29.120 1.00 0.00 C ATOM 193 O SER A 24 6.490 0.700 -30.260 1.00 0.00 O ATOM 194 CB SER A 24 6.710 -2.130 -29.650 1.00 0.00 C ATOM 195 OG SER A 24 7.450 -2.520 -30.810 1.00 0.00 O ATOM 0 H SER A 24 6.713 -1.861 -27.121 1.00 0.00 H new ATOM 0 HA SER A 24 8.482 -0.945 -29.261 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.557 -2.992 -29.000 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.723 -1.772 -29.942 1.00 0.00 H new ATOM 0 HG SER A 24 6.963 -3.224 -31.287 1.00 0.00 H new ATOM 198 N ASP A 25 6.480 1.040 -28.030 1.00 0.00 N ATOM 199 CA ASP A 25 5.770 2.330 -28.030 1.00 0.00 C ATOM 200 C ASP A 25 4.590 2.340 -29.030 1.00 0.00 C ATOM 201 O ASP A 25 4.450 3.220 -29.880 1.00 0.00 O ATOM 202 CB ASP A 25 6.800 3.440 -28.260 1.00 0.00 C ATOM 203 CG ASP A 25 6.370 4.750 -27.610 1.00 0.00 C ATOM 204 OD1 ASP A 25 5.810 4.700 -26.490 1.00 0.00 O ATOM 205 OD2 ASP A 25 6.650 5.800 -28.230 1.00 0.00 O ATOM 0 H ASP A 25 6.757 0.742 -27.095 1.00 0.00 H new ATOM 0 HA ASP A 25 5.295 2.506 -27.065 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.764 3.132 -27.855 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.938 3.593 -29.330 1.00 0.00 H new ATOM 207 N GLY A 26 3.790 1.290 -28.900 1.00 0.00 N ATOM 208 CA GLY A 26 2.670 0.980 -29.800 1.00 0.00 C ATOM 209 C GLY A 26 3.030 0.180 -31.050 1.00 0.00 C ATOM 210 O GLY A 26 4.060 -0.490 -31.090 1.00 0.00 O ATOM 0 H GLY A 26 3.899 0.609 -28.149 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.919 0.424 -29.238 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.207 1.917 -30.111 1.00 0.00 H new ATOM 212 N PRO A 27 2.070 0.140 -31.990 1.00 0.00 N ATOM 213 CA PRO A 27 0.740 0.780 -31.880 1.00 0.00 C ATOM 214 C PRO A 27 -0.190 -0.020 -30.960 1.00 0.00 C ATOM 215 O PRO A 27 -0.070 -1.240 -30.830 1.00 0.00 O ATOM 216 CB PRO A 27 0.200 0.840 -33.310 1.00 0.00 C ATOM 217 CG PRO A 27 0.890 -0.330 -34.020 1.00 0.00 C ATOM 218 CD PRO A 27 2.240 -0.510 -33.300 1.00 0.00 C ATOM 0 HA PRO A 27 0.806 1.773 -31.436 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.885 0.735 -33.331 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.438 1.791 -33.786 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.288 -1.237 -33.958 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.035 -0.116 -35.079 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.488 -1.565 -33.186 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.051 -0.051 -33.865 1.00 0.00 H new ATOM 219 N PHE A 28 -0.960 0.730 -30.200 1.00 0.00 N ATOM 220 CA PHE A 28 -1.850 0.150 -29.190 1.00 0.00 C ATOM 221 C PHE A 28 -3.270 -0.070 -29.750 1.00 0.00 C ATOM 222 O PHE A 28 -3.760 0.780 -30.490 1.00 0.00 O ATOM 223 CB PHE A 28 -1.920 1.070 -27.980 1.00 0.00 C ATOM 224 CG PHE A 28 -0.610 1.330 -27.230 1.00 0.00 C ATOM 225 CD1 PHE A 28 0.350 2.220 -27.760 1.00 0.00 C ATOM 226 CD2 PHE A 28 -0.450 0.820 -25.920 1.00 0.00 C ATOM 227 CE1 PHE A 28 1.490 2.570 -27.010 1.00 0.00 C ATOM 228 CE2 PHE A 28 0.680 1.200 -25.150 1.00 0.00 C ATOM 229 CZ PHE A 28 1.670 2.030 -25.720 1.00 0.00 C ATOM 0 H PHE A 28 -0.995 1.748 -30.255 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.444 -0.819 -28.900 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.320 2.030 -28.306 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.637 0.649 -27.275 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.209 2.635 -28.747 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.185 0.144 -25.508 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.223 3.249 -27.421 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.782 0.856 -24.132 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.570 2.252 -25.165 1.00 0.00 H new ATOM 231 N PRO A 29 -3.860 -1.230 -29.450 1.00 0.00 N ATOM 232 CA PRO A 29 -5.190 -1.610 -29.970 1.00 0.00 C ATOM 233 C PRO A 29 -6.300 -0.850 -29.230 1.00 0.00 C ATOM 234 O PRO A 29 -7.020 -0.060 -29.830 1.00 0.00 O ATOM 235 CB PRO A 29 -5.260 -3.130 -29.820 1.00 0.00 C ATOM 236 CG PRO A 29 -4.230 -3.500 -28.760 1.00 0.00 C ATOM 237 CD PRO A 29 -3.250 -2.330 -28.680 1.00 0.00 C ATOM 0 HA PRO A 29 -5.337 -1.339 -31.015 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.259 -3.446 -29.519 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.040 -3.625 -30.766 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.710 -3.671 -27.796 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -3.713 -4.422 -29.027 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.081 -2.034 -27.645 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.280 -2.605 -29.095 1.00 0.00 H new ATOM 238 N TYR A 30 -6.390 -1.080 -27.920 1.00 0.00 N ATOM 239 CA TYR A 30 -7.340 -0.370 -27.050 1.00 0.00 C ATOM 240 C TYR A 30 -7.120 1.150 -27.060 1.00 0.00 C ATOM 241 O TYR A 30 -6.050 1.620 -27.430 1.00 0.00 O ATOM 242 CB TYR A 30 -7.220 -0.930 -25.630 1.00 0.00 C ATOM 243 CG TYR A 30 -8.390 -1.840 -25.250 1.00 0.00 C ATOM 244 CD1 TYR A 30 -9.130 -2.570 -26.220 1.00 0.00 C ATOM 245 CD2 TYR A 30 -8.680 -1.970 -23.880 1.00 0.00 C ATOM 246 CE1 TYR A 30 -10.140 -3.450 -25.800 1.00 0.00 C ATOM 247 CE2 TYR A 30 -9.690 -2.850 -23.460 1.00 0.00 C ATOM 248 CZ TYR A 30 -10.410 -3.590 -24.420 1.00 0.00 C ATOM 249 OH TYR A 30 -11.410 -4.410 -24.020 1.00 0.00 O ATOM 0 H TYR A 30 -5.810 -1.761 -27.429 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.347 -0.534 -27.433 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.288 -1.488 -25.542 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -7.164 -0.103 -24.922 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.917 -2.448 -27.272 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.127 -1.394 -23.153 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.706 -4.015 -26.526 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.914 -2.959 -22.409 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.216 -4.749 -23.121 1.00 0.00 H new ATOM 252 N SER A 31 -8.150 1.880 -26.680 1.00 0.00 N ATOM 253 CA SER A 31 -8.050 3.350 -26.520 1.00 0.00 C ATOM 254 C SER A 31 -7.220 3.760 -25.290 1.00 0.00 C ATOM 255 O SER A 31 -6.840 4.910 -25.120 1.00 0.00 O ATOM 256 CB SER A 31 -9.420 4.030 -26.450 1.00 0.00 C ATOM 257 OG SER A 31 -9.900 4.270 -27.770 1.00 0.00 O ATOM 0 H SER A 31 -9.072 1.497 -26.472 1.00 0.00 H new ATOM 0 HA SER A 31 -7.535 3.693 -27.417 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.123 3.400 -25.905 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.344 4.970 -25.903 1.00 0.00 H new ATOM 0 HG SER A 31 -10.778 4.704 -27.725 1.00 0.00 H new ATOM 260 N GLN A 32 -7.000 2.790 -24.410 1.00 0.00 N ATOM 261 CA GLN A 32 -6.290 2.990 -23.140 1.00 0.00 C ATOM 262 C GLN A 32 -4.790 2.810 -23.290 1.00 0.00 C ATOM 263 O GLN A 32 -4.270 1.690 -23.300 1.00 0.00 O ATOM 264 CB GLN A 32 -6.810 2.020 -22.120 1.00 0.00 C ATOM 265 CG GLN A 32 -7.240 2.840 -20.910 1.00 0.00 C ATOM 266 CD GLN A 32 -8.560 2.290 -20.420 1.00 0.00 C ATOM 267 OE1 GLN A 32 -8.750 1.110 -20.180 1.00 0.00 O ATOM 268 NE2 GLN A 32 -9.500 3.160 -20.140 1.00 0.00 N ATOM 0 H GLN A 32 -7.311 1.829 -24.555 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.470 4.015 -22.817 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.650 1.452 -22.520 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.040 1.299 -21.844 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.487 2.783 -20.124 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.341 3.892 -21.178 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.353 4.150 -20.336 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.378 2.847 -19.726 1.00 0.00 H new ATOM 272 N ASP A 33 -4.170 3.970 -23.480 1.00 0.00 N ATOM 273 CA ASP A 33 -2.740 4.140 -23.790 1.00 0.00 C ATOM 274 C ASP A 33 -2.340 5.520 -24.270 1.00 0.00 C ATOM 275 O ASP A 33 -2.900 6.030 -25.230 1.00 0.00 O ATOM 276 CB ASP A 33 -2.280 3.190 -24.890 1.00 0.00 C ATOM 277 CG ASP A 33 -3.270 3.040 -26.040 1.00 0.00 C ATOM 278 OD1 ASP A 33 -3.100 3.790 -27.030 1.00 0.00 O ATOM 279 OD2 ASP A 33 -4.020 2.050 -25.980 1.00 0.00 O ATOM 0 H ASP A 33 -4.664 4.860 -23.421 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.269 3.940 -22.828 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.329 3.545 -25.288 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.096 2.208 -24.453 1.00 0.00 H new ATOM 281 N GLY A 34 -1.220 5.970 -23.710 1.00 0.00 N ATOM 282 CA GLY A 34 -0.620 7.280 -24.040 1.00 0.00 C ATOM 283 C GLY A 34 -1.220 8.400 -23.170 1.00 0.00 C ATOM 284 O GLY A 34 -1.490 9.500 -23.620 1.00 0.00 O ATOM 0 H GLY A 34 -0.695 5.443 -23.012 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.459 7.237 -23.890 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.787 7.505 -25.093 1.00 0.00 H new ATOM 286 N VAL A 35 -1.450 8.030 -21.910 1.00 0.00 N ATOM 287 CA VAL A 35 -2.010 8.930 -20.880 1.00 0.00 C ATOM 288 C VAL A 35 -1.220 8.770 -19.580 1.00 0.00 C ATOM 289 O VAL A 35 -0.760 7.660 -19.300 1.00 0.00 O ATOM 290 CB VAL A 35 -3.520 8.660 -20.660 1.00 0.00 C ATOM 291 CG1 VAL A 35 -4.330 8.930 -21.930 1.00 0.00 C ATOM 292 CG2 VAL A 35 -3.840 7.240 -20.180 1.00 0.00 C ATOM 0 H VAL A 35 -1.254 7.091 -21.564 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.918 9.961 -21.222 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.804 9.353 -19.868 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.384 8.730 -21.739 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.206 9.972 -22.226 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.977 8.281 -22.731 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.917 7.134 -20.051 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.490 6.519 -20.919 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.340 7.056 -19.229 1.00 0.00 H new ATOM 294 N VAL A 36 -1.140 9.860 -18.830 1.00 0.00 N ATOM 295 CA VAL A 36 -0.490 9.920 -17.500 1.00 0.00 C ATOM 296 C VAL A 36 -1.490 9.500 -16.410 1.00 0.00 C ATOM 297 O VAL A 36 -2.690 9.790 -16.500 1.00 0.00 O ATOM 298 CB VAL A 36 0.130 11.320 -17.260 1.00 0.00 C ATOM 299 CG1 VAL A 36 0.370 11.730 -15.800 1.00 0.00 C ATOM 300 CG2 VAL A 36 1.470 11.440 -17.980 1.00 0.00 C ATOM 0 H VAL A 36 -1.530 10.756 -19.124 1.00 0.00 H new ATOM 0 HA VAL A 36 0.338 9.212 -17.459 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.634 11.992 -17.651 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.806 12.728 -15.769 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.578 11.732 -15.262 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.052 11.021 -15.331 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.892 12.429 -17.801 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.155 10.680 -17.604 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.322 11.297 -19.050 1.00 0.00 H new ATOM 302 N PHE A 37 -0.930 9.020 -15.320 1.00 0.00 N ATOM 303 CA PHE A 37 -1.710 8.640 -14.130 1.00 0.00 C ATOM 304 C PHE A 37 -1.000 9.190 -12.890 1.00 0.00 C ATOM 305 O PHE A 37 -0.230 8.470 -12.280 1.00 0.00 O ATOM 306 CB PHE A 37 -1.800 7.110 -14.130 1.00 0.00 C ATOM 307 CG PHE A 37 -2.590 6.520 -12.960 1.00 0.00 C ATOM 308 CD1 PHE A 37 -3.990 6.650 -12.930 1.00 0.00 C ATOM 309 CD2 PHE A 37 -1.900 5.890 -11.890 1.00 0.00 C ATOM 310 CE1 PHE A 37 -4.710 6.180 -11.810 1.00 0.00 C ATOM 311 CE2 PHE A 37 -2.620 5.400 -10.790 1.00 0.00 C ATOM 312 CZ PHE A 37 -4.020 5.560 -10.740 1.00 0.00 C ATOM 0 H PHE A 37 0.075 8.877 -15.220 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.719 9.051 -14.132 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.261 6.786 -15.063 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.790 6.699 -14.114 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.511 7.106 -13.758 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.825 5.789 -11.923 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.783 6.293 -11.770 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.103 4.901 -9.983 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.570 5.207 -9.880 1.00 0.00 H new ATOM 314 N GLN A 38 -1.290 10.410 -12.440 1.00 0.00 N ATOM 315 CA GLN A 38 -0.640 10.990 -11.230 1.00 0.00 C ATOM 316 C GLN A 38 -1.110 10.290 -9.940 1.00 0.00 C ATOM 317 O GLN A 38 -1.640 10.920 -9.030 1.00 0.00 O ATOM 318 CB GLN A 38 -0.900 12.500 -11.180 1.00 0.00 C ATOM 319 CG GLN A 38 -0.050 13.200 -10.090 1.00 0.00 C ATOM 320 CD GLN A 38 -0.840 13.640 -8.850 1.00 0.00 C ATOM 321 OE1 GLN A 38 -2.030 13.910 -8.860 1.00 0.00 O ATOM 322 NE2 GLN A 38 -0.130 13.820 -7.760 1.00 0.00 N ATOM 0 H GLN A 38 -1.969 11.028 -12.884 1.00 0.00 H new ATOM 0 HA GLN A 38 0.435 10.823 -11.299 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.675 12.939 -12.152 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.957 12.679 -10.986 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.745 12.523 -9.777 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.430 14.075 -10.528 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.864 13.593 -7.756 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.573 14.187 -6.918 1.00 0.00 H new ATOM 326 N ASN A 39 -0.980 8.970 -9.910 1.00 0.00 N ATOM 327 CA ASN A 39 -1.420 8.040 -8.850 1.00 0.00 C ATOM 328 C ASN A 39 -2.580 8.630 -8.060 1.00 0.00 C ATOM 329 O ASN A 39 -2.490 8.880 -6.860 1.00 0.00 O ATOM 330 CB ASN A 39 -0.250 7.700 -7.940 1.00 0.00 C ATOM 331 CG ASN A 39 0.200 8.890 -7.070 1.00 0.00 C ATOM 332 OD1 ASN A 39 0.440 10.000 -7.520 1.00 0.00 O ATOM 333 ND2 ASN A 39 0.510 8.620 -5.830 1.00 0.00 N ATOM 0 H ASN A 39 -0.532 8.473 -10.679 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.774 7.119 -9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.530 6.869 -7.293 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.590 7.363 -8.547 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.948 9.333 -5.247 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.314 7.696 -5.445 1.00 0.00 H new ATOM 337 N ARG A 40 -3.600 9.050 -8.800 1.00 0.00 N ATOM 338 CA ARG A 40 -4.730 9.770 -8.180 1.00 0.00 C ATOM 339 C ARG A 40 -5.390 8.960 -7.060 1.00 0.00 C ATOM 340 O ARG A 40 -5.920 9.510 -6.090 1.00 0.00 O ATOM 341 CB ARG A 40 -5.780 10.220 -9.200 1.00 0.00 C ATOM 342 CG ARG A 40 -6.100 9.170 -10.250 1.00 0.00 C ATOM 343 CD ARG A 40 -5.220 9.430 -11.480 1.00 0.00 C ATOM 344 NE ARG A 40 -6.060 9.190 -12.650 1.00 0.00 N ATOM 345 CZ ARG A 40 -6.910 10.080 -13.150 1.00 0.00 C ATOM 346 NH1 ARG A 40 -7.010 11.290 -12.620 1.00 0.00 N ATOM 347 NH2 ARG A 40 -7.680 9.780 -14.180 1.00 0.00 N ATOM 0 H ARG A 40 -3.678 8.914 -9.808 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.294 10.667 -7.740 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.696 10.485 -8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.427 11.123 -9.698 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.915 8.171 -9.856 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.155 9.215 -10.522 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.842 10.452 -11.477 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.353 8.770 -11.483 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.990 8.283 -13.112 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.431 11.546 -11.820 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.666 11.966 -13.012 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.627 8.854 -14.603 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.328 10.475 -14.552 1.00 0.00 H new ATOM 354 N GLU A 41 -5.150 7.670 -7.150 1.00 0.00 N ATOM 355 CA GLU A 41 -5.530 6.710 -6.120 1.00 0.00 C ATOM 356 C GLU A 41 -4.610 6.670 -4.900 1.00 0.00 C ATOM 357 O GLU A 41 -4.940 5.990 -3.940 1.00 0.00 O ATOM 358 CB GLU A 41 -5.630 5.340 -6.740 1.00 0.00 C ATOM 359 CG GLU A 41 -7.120 5.020 -6.820 1.00 0.00 C ATOM 360 CD GLU A 41 -7.370 3.560 -7.180 1.00 0.00 C ATOM 361 OE1 GLU A 41 -6.400 2.920 -7.650 1.00 0.00 O ATOM 362 OE2 GLU A 41 -8.570 3.210 -7.110 1.00 0.00 O ATOM 0 H GLU A 41 -4.679 7.246 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.493 7.045 -5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.175 5.326 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.104 4.600 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.591 5.244 -5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.590 5.663 -7.564 1.00 0.00 H new ATOM 364 N SER A 42 -3.440 7.310 -4.990 1.00 0.00 N ATOM 365 CA SER A 42 -2.400 7.340 -3.930 1.00 0.00 C ATOM 366 C SER A 42 -2.150 5.950 -3.330 1.00 0.00 C ATOM 367 O SER A 42 -2.040 5.730 -2.130 1.00 0.00 O ATOM 368 CB SER A 42 -2.800 8.380 -2.880 1.00 0.00 C ATOM 369 OG SER A 42 -1.830 8.490 -1.840 1.00 0.00 O ATOM 0 H SER A 42 -3.173 7.839 -5.820 1.00 0.00 H new ATOM 0 HA SER A 42 -1.445 7.635 -4.364 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.928 9.350 -3.361 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.764 8.108 -2.450 1.00 0.00 H new ATOM 0 HG SER A 42 -1.655 7.604 -1.460 1.00 0.00 H new ATOM 372 N VAL A 43 -2.170 4.970 -4.220 1.00 0.00 N ATOM 373 CA VAL A 43 -2.000 3.550 -3.830 1.00 0.00 C ATOM 374 C VAL A 43 -0.650 3.010 -4.330 1.00 0.00 C ATOM 375 O VAL A 43 -0.160 1.960 -3.950 1.00 0.00 O ATOM 376 CB VAL A 43 -3.240 2.740 -4.270 1.00 0.00 C ATOM 377 CG1 VAL A 43 -3.060 1.230 -4.160 1.00 0.00 C ATOM 378 CG2 VAL A 43 -4.440 3.060 -3.380 1.00 0.00 C ATOM 0 H VAL A 43 -2.301 5.116 -5.221 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.951 3.448 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.390 3.025 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.972 0.730 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.228 0.916 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.851 0.963 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.302 2.479 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.204 2.807 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.672 4.123 -3.450 1.00 0.00 H new ATOM 380 N LEU A 44 -0.050 3.790 -5.220 1.00 0.00 N ATOM 381 CA LEU A 44 1.150 3.400 -5.950 1.00 0.00 C ATOM 382 C LEU A 44 2.330 4.150 -5.320 1.00 0.00 C ATOM 383 O LEU A 44 2.120 5.250 -4.810 1.00 0.00 O ATOM 384 CB LEU A 44 0.930 3.830 -7.400 1.00 0.00 C ATOM 385 CG LEU A 44 -0.100 3.040 -8.230 1.00 0.00 C ATOM 386 CD1 LEU A 44 0.530 1.860 -8.920 1.00 0.00 C ATOM 387 CD2 LEU A 44 -1.250 2.440 -7.460 1.00 0.00 C ATOM 0 H LEU A 44 -0.387 4.723 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 44 1.354 2.330 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.627 4.877 -7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.889 3.776 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.473 3.808 -8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.228 1.328 -9.495 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.317 2.208 -9.590 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.958 1.189 -8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.909 1.909 -8.146 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.865 1.744 -6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.808 3.233 -6.962 1.00 0.00 H new ATOM 389 N PRO A 45 3.540 3.560 -5.330 1.00 0.00 N ATOM 390 CA PRO A 45 4.750 4.160 -4.760 1.00 0.00 C ATOM 391 C PRO A 45 5.290 5.290 -5.650 1.00 0.00 C ATOM 392 O PRO A 45 6.420 5.290 -6.120 1.00 0.00 O ATOM 393 CB PRO A 45 5.710 2.980 -4.590 1.00 0.00 C ATOM 394 CG PRO A 45 5.340 2.030 -5.720 1.00 0.00 C ATOM 395 CD PRO A 45 3.830 2.220 -5.880 1.00 0.00 C ATOM 0 HA PRO A 45 4.579 4.656 -3.804 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.750 3.299 -4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.589 2.506 -3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.873 2.275 -6.639 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.589 0.998 -5.472 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.535 2.153 -6.927 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.278 1.448 -5.344 1.00 0.00 H new ATOM 396 N THR A 46 4.400 6.240 -5.890 1.00 0.00 N ATOM 397 CA THR A 46 4.690 7.450 -6.680 1.00 0.00 C ATOM 398 C THR A 46 5.410 8.440 -5.750 1.00 0.00 C ATOM 399 O THR A 46 5.860 8.060 -4.670 1.00 0.00 O ATOM 400 CB THR A 46 3.350 8.000 -7.170 1.00 0.00 C ATOM 401 OG1 THR A 46 2.540 6.890 -7.560 1.00 0.00 O ATOM 402 CG2 THR A 46 3.440 9.020 -8.310 1.00 0.00 C ATOM 0 H THR A 46 3.442 6.202 -5.542 1.00 0.00 H new ATOM 0 HA THR A 46 5.327 7.258 -7.544 1.00 0.00 H new ATOM 0 HB THR A 46 2.913 8.559 -6.343 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.100 6.213 -7.995 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.438 9.348 -8.584 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.027 9.879 -7.984 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.920 8.559 -9.173 1.00 0.00 H new ATOM 405 N GLN A 47 5.420 9.700 -6.170 1.00 0.00 N ATOM 406 CA GLN A 47 6.120 10.820 -5.520 1.00 0.00 C ATOM 407 C GLN A 47 6.090 12.070 -6.420 1.00 0.00 C ATOM 408 O GLN A 47 6.030 13.200 -5.950 1.00 0.00 O ATOM 409 CB GLN A 47 7.580 10.420 -5.230 1.00 0.00 C ATOM 410 CG GLN A 47 8.410 11.580 -4.710 1.00 0.00 C ATOM 411 CD GLN A 47 9.480 11.170 -3.710 1.00 0.00 C ATOM 412 OE1 GLN A 47 9.560 10.090 -3.150 1.00 0.00 O ATOM 413 NE2 GLN A 47 10.300 12.150 -3.430 1.00 0.00 N ATOM 0 H GLN A 47 4.920 9.990 -7.010 1.00 0.00 H new ATOM 0 HA GLN A 47 5.614 11.054 -4.583 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.593 9.612 -4.499 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.035 10.032 -6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.887 12.080 -5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.747 12.307 -4.241 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.211 13.044 -3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.029 12.021 -2.728 1.00 0.00 H new ATOM 417 N SER A 48 6.260 11.830 -7.710 1.00 0.00 N ATOM 418 CA SER A 48 6.330 12.890 -8.720 1.00 0.00 C ATOM 419 C SER A 48 5.150 12.810 -9.690 1.00 0.00 C ATOM 420 O SER A 48 4.390 11.840 -9.730 1.00 0.00 O ATOM 421 CB SER A 48 7.670 12.810 -9.460 1.00 0.00 C ATOM 422 OG SER A 48 7.880 11.480 -9.940 1.00 0.00 O ATOM 0 H SER A 48 6.355 10.890 -8.095 1.00 0.00 H new ATOM 0 HA SER A 48 6.266 13.857 -8.220 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.678 13.513 -10.293 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.482 13.098 -8.792 1.00 0.00 H new ATOM 0 HG SER A 48 8.737 11.435 -10.414 1.00 0.00 H new ATOM 425 N TYR A 49 4.970 13.930 -10.380 1.00 0.00 N ATOM 426 CA TYR A 49 3.890 14.100 -11.360 1.00 0.00 C ATOM 427 C TYR A 49 4.380 13.700 -12.760 1.00 0.00 C ATOM 428 O TYR A 49 5.510 13.970 -13.140 1.00 0.00 O ATOM 429 CB TYR A 49 3.430 15.560 -11.340 1.00 0.00 C ATOM 430 CG TYR A 49 2.330 15.900 -12.350 1.00 0.00 C ATOM 431 CD1 TYR A 49 1.320 14.970 -12.660 1.00 0.00 C ATOM 432 CD2 TYR A 49 2.400 17.150 -13.000 1.00 0.00 C ATOM 433 CE1 TYR A 49 0.360 15.270 -13.640 1.00 0.00 C ATOM 434 CE2 TYR A 49 1.440 17.470 -13.980 1.00 0.00 C ATOM 435 CZ TYR A 49 0.430 16.520 -14.290 1.00 0.00 C ATOM 436 OH TYR A 49 -0.510 16.820 -15.210 1.00 0.00 O ATOM 0 H TYR A 49 5.567 14.751 -10.280 1.00 0.00 H new ATOM 0 HA TYR A 49 3.049 13.456 -11.103 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.072 15.800 -10.339 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.291 16.200 -11.532 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.283 14.023 -12.143 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.180 17.853 -12.749 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.414 14.560 -13.890 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.471 18.423 -14.488 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.337 17.713 -15.575 1.00 0.00 H new ATOM 439 N GLY A 50 3.490 13.000 -13.470 1.00 0.00 N ATOM 440 CA GLY A 50 3.760 12.500 -14.830 1.00 0.00 C ATOM 441 C GLY A 50 4.720 11.300 -14.840 1.00 0.00 C ATOM 442 O GLY A 50 5.010 10.750 -15.900 1.00 0.00 O ATOM 0 H GLY A 50 2.561 12.762 -13.122 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.820 12.212 -15.300 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.184 13.304 -15.431 1.00 0.00 H new ATOM 444 N TYR A 51 5.010 10.790 -13.640 1.00 0.00 N ATOM 445 CA TYR A 51 5.870 9.610 -13.410 1.00 0.00 C ATOM 446 C TYR A 51 5.080 8.300 -13.610 1.00 0.00 C ATOM 447 O TYR A 51 5.570 7.220 -13.310 1.00 0.00 O ATOM 448 CB TYR A 51 6.430 9.730 -11.990 1.00 0.00 C ATOM 449 CG TYR A 51 7.480 8.680 -11.560 1.00 0.00 C ATOM 450 CD1 TYR A 51 8.820 8.830 -11.950 1.00 0.00 C ATOM 451 CD2 TYR A 51 7.050 7.520 -10.890 1.00 0.00 C ATOM 452 CE1 TYR A 51 9.730 7.770 -11.740 1.00 0.00 C ATOM 453 CE2 TYR A 51 7.940 6.450 -10.680 1.00 0.00 C ATOM 454 CZ TYR A 51 9.270 6.590 -11.120 1.00 0.00 C ATOM 455 OH TYR A 51 10.120 5.540 -10.990 1.00 0.00 O ATOM 0 H TYR A 51 4.648 11.191 -12.775 1.00 0.00 H new ATOM 0 HA TYR A 51 6.687 9.579 -14.131 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.876 10.719 -11.884 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.595 9.681 -11.291 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.153 9.750 -12.408 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.032 7.450 -10.535 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.761 7.862 -12.049 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.611 5.544 -10.193 1.00 0.00 H new ATOM 0 HH TYR A 51 9.621 4.749 -10.698 1.00 0.00 H new ATOM 458 N TYR A 52 3.900 8.390 -14.200 1.00 0.00 N ATOM 459 CA TYR A 52 3.000 7.240 -14.330 1.00 0.00 C ATOM 460 C TYR A 52 2.180 7.390 -15.590 1.00 0.00 C ATOM 461 O TYR A 52 1.820 8.510 -15.960 1.00 0.00 O ATOM 462 CB TYR A 52 2.030 7.230 -13.170 1.00 0.00 C ATOM 463 CG TYR A 52 2.460 6.540 -11.890 1.00 0.00 C ATOM 464 CD1 TYR A 52 3.550 7.030 -11.140 1.00 0.00 C ATOM 465 CD2 TYR A 52 1.810 5.340 -11.570 1.00 0.00 C ATOM 466 CE1 TYR A 52 4.050 6.230 -10.100 1.00 0.00 C ATOM 467 CE2 TYR A 52 2.280 4.590 -10.490 1.00 0.00 C ATOM 468 CZ TYR A 52 3.400 5.040 -9.750 1.00 0.00 C ATOM 469 OH TYR A 52 3.630 4.480 -8.540 1.00 0.00 O ATOM 0 H TYR A 52 3.534 9.253 -14.602 1.00 0.00 H new ATOM 0 HA TYR A 52 3.594 6.326 -14.353 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.789 8.265 -12.927 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.108 6.759 -13.510 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.987 7.993 -11.360 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.962 5.002 -12.148 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.939 6.534 -9.568 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.789 3.667 -10.219 1.00 0.00 H new ATOM 0 HH TYR A 52 4.123 3.641 -8.656 1.00 0.00 H new ATOM 472 N HIS A 53 1.720 6.240 -16.060 1.00 0.00 N ATOM 473 CA HIS A 53 0.900 6.130 -17.270 1.00 0.00 C ATOM 474 C HIS A 53 -0.020 4.910 -17.210 1.00 0.00 C ATOM 475 O HIS A 53 0.180 3.990 -16.430 1.00 0.00 O ATOM 476 CB HIS A 53 1.790 6.080 -18.520 1.00 0.00 C ATOM 477 CG HIS A 53 2.660 7.320 -18.740 1.00 0.00 C ATOM 478 ND1 HIS A 53 3.910 7.470 -18.300 1.00 0.00 N ATOM 479 CD2 HIS A 53 2.320 8.440 -19.370 1.00 0.00 C ATOM 480 CE1 HIS A 53 4.330 8.680 -18.640 1.00 0.00 C ATOM 481 NE2 HIS A 53 3.350 9.270 -19.310 1.00 0.00 N ATOM 0 H HIS A 53 1.905 5.343 -15.611 1.00 0.00 H new ATOM 0 HA HIS A 53 0.269 7.017 -17.329 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.438 5.206 -18.452 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.155 5.939 -19.395 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.371 8.638 -19.847 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.295 9.108 -18.413 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.384 10.207 -19.712 1.00 0.00 H new ATOM 485 N GLU A 54 -1.120 5.010 -17.960 1.00 0.00 N ATOM 486 CA GLU A 54 -2.120 3.930 -18.010 1.00 0.00 C ATOM 487 C GLU A 54 -2.090 3.250 -19.380 1.00 0.00 C ATOM 488 O GLU A 54 -1.900 3.920 -20.400 1.00 0.00 O ATOM 489 CB GLU A 54 -3.550 4.440 -17.820 1.00 0.00 C ATOM 490 CG GLU A 54 -3.750 5.080 -16.450 1.00 0.00 C ATOM 491 CD GLU A 54 -4.290 6.500 -16.620 1.00 0.00 C ATOM 492 OE1 GLU A 54 -3.510 7.340 -17.100 1.00 0.00 O ATOM 493 OE2 GLU A 54 -5.460 6.720 -16.230 1.00 0.00 O ATOM 0 H GLU A 54 -1.344 5.820 -18.539 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.861 3.247 -17.201 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.782 5.168 -18.598 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.249 3.612 -17.939 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.445 4.485 -15.857 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.805 5.102 -15.907 1.00 0.00 H new ATOM 495 N TYR A 55 -2.330 1.950 -19.340 1.00 0.00 N ATOM 496 CA TYR A 55 -2.240 1.070 -20.520 1.00 0.00 C ATOM 497 C TYR A 55 -3.000 -0.240 -20.280 1.00 0.00 C ATOM 498 O TYR A 55 -2.410 -1.330 -20.200 1.00 0.00 O ATOM 499 CB TYR A 55 -0.770 0.760 -20.800 1.00 0.00 C ATOM 500 CG TYR A 55 0.150 1.930 -21.100 1.00 0.00 C ATOM 501 CD1 TYR A 55 0.010 2.590 -22.330 1.00 0.00 C ATOM 502 CD2 TYR A 55 1.090 2.330 -20.140 1.00 0.00 C ATOM 503 CE1 TYR A 55 0.810 3.720 -22.600 1.00 0.00 C ATOM 504 CE2 TYR A 55 1.900 3.440 -20.430 1.00 0.00 C ATOM 505 CZ TYR A 55 1.750 4.130 -21.650 1.00 0.00 C ATOM 506 OH TYR A 55 2.470 5.250 -21.870 1.00 0.00 O ATOM 0 H TYR A 55 -2.596 1.460 -18.486 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.687 1.578 -21.374 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.368 0.229 -19.937 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.727 0.073 -21.645 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.702 2.237 -23.062 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.188 1.800 -19.204 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.698 4.261 -23.528 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.641 3.766 -19.715 1.00 0.00 H new ATOM 0 HH TYR A 55 3.079 5.401 -21.117 1.00 0.00 H new ATOM 509 N THR A 56 -4.310 -0.130 -20.070 1.00 0.00 N ATOM 510 CA THR A 56 -5.170 -1.310 -19.880 1.00 0.00 C ATOM 511 C THR A 56 -4.790 -2.450 -20.820 1.00 0.00 C ATOM 512 O THR A 56 -4.610 -2.280 -22.030 1.00 0.00 O ATOM 513 CB THR A 56 -6.660 -0.990 -20.000 1.00 0.00 C ATOM 514 OG1 THR A 56 -7.170 -0.810 -18.690 1.00 0.00 O ATOM 515 CG2 THR A 56 -7.610 -1.950 -20.740 1.00 0.00 C ATOM 0 H THR A 56 -4.805 0.761 -20.026 1.00 0.00 H new ATOM 0 HA THR A 56 -4.994 -1.638 -18.855 1.00 0.00 H new ATOM 0 HB THR A 56 -6.657 -0.114 -20.648 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.919 -0.179 -18.715 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.623 -1.549 -20.717 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.286 -2.057 -21.775 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.595 -2.925 -20.252 1.00 0.00 H new ATOM 518 N VAL A 57 -4.640 -3.580 -20.170 1.00 0.00 N ATOM 519 CA VAL A 57 -4.350 -4.810 -20.880 1.00 0.00 C ATOM 520 C VAL A 57 -5.650 -5.400 -21.380 1.00 0.00 C ATOM 521 O VAL A 57 -6.570 -5.630 -20.590 1.00 0.00 O ATOM 522 CB VAL A 57 -3.590 -5.820 -20.020 1.00 0.00 C ATOM 523 CG1 VAL A 57 -2.180 -5.310 -19.820 1.00 0.00 C ATOM 524 CG2 VAL A 57 -4.210 -6.100 -18.660 1.00 0.00 C ATOM 0 H VAL A 57 -4.713 -3.677 -19.157 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.696 -4.575 -21.720 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.622 -6.766 -20.560 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.621 -6.018 -19.208 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.691 -5.202 -20.788 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.211 -4.342 -19.319 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.600 -6.828 -18.125 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.259 -5.175 -18.085 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.216 -6.498 -18.794 1.00 0.00 H new ATOM 526 N ILE A 58 -5.710 -5.560 -22.700 1.00 0.00 N ATOM 527 CA ILE A 58 -6.820 -6.290 -23.360 1.00 0.00 C ATOM 528 C ILE A 58 -7.160 -7.560 -22.560 1.00 0.00 C ATOM 529 O ILE A 58 -6.310 -8.030 -21.820 1.00 0.00 O ATOM 530 CB ILE A 58 -6.470 -6.540 -24.840 1.00 0.00 C ATOM 531 CG1 ILE A 58 -7.350 -5.600 -25.640 1.00 0.00 C ATOM 532 CG2 ILE A 58 -6.640 -7.970 -25.400 1.00 0.00 C ATOM 533 CD1 ILE A 58 -6.500 -4.800 -26.610 1.00 0.00 C ATOM 0 H ILE A 58 -5.008 -5.198 -23.345 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.731 -5.692 -23.365 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.396 -6.372 -24.922 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.103 -6.168 -26.186 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.883 -4.927 -24.969 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.354 -7.985 -26.452 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.005 -8.657 -24.842 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.681 -8.278 -25.302 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.138 -4.126 -27.182 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.764 -4.219 -26.055 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.987 -5.480 -27.291 1.00 0.00 H new ATOM 535 N THR A 59 -8.340 -8.100 -22.810 1.00 0.00 N ATOM 536 CA THR A 59 -8.800 -9.360 -22.180 1.00 0.00 C ATOM 537 C THR A 59 -9.890 -10.050 -23.020 1.00 0.00 C ATOM 538 O THR A 59 -10.710 -9.370 -23.630 1.00 0.00 O ATOM 539 CB THR A 59 -9.160 -9.120 -20.700 1.00 0.00 C ATOM 540 OG1 THR A 59 -7.910 -9.200 -20.000 1.00 0.00 O ATOM 541 CG2 THR A 59 -10.100 -10.140 -20.050 1.00 0.00 C ATOM 0 H THR A 59 -9.018 -7.690 -23.453 1.00 0.00 H new ATOM 0 HA THR A 59 -7.983 -10.082 -22.166 1.00 0.00 H new ATOM 0 HB THR A 59 -9.692 -8.170 -20.648 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.258 -8.605 -20.426 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.276 -9.862 -19.011 1.00 0.00 H new ATOM 0 HG22 THR A 59 -11.048 -10.155 -20.588 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.645 -11.130 -20.088 1.00 0.00 H new ATOM 544 N PRO A 60 -9.820 -11.390 -23.150 1.00 0.00 N ATOM 545 CA PRO A 60 -10.820 -12.180 -23.890 1.00 0.00 C ATOM 546 C PRO A 60 -12.110 -12.280 -23.060 1.00 0.00 C ATOM 547 O PRO A 60 -12.090 -12.200 -21.840 1.00 0.00 O ATOM 548 CB PRO A 60 -10.170 -13.540 -24.110 1.00 0.00 C ATOM 549 CG PRO A 60 -9.190 -13.700 -22.960 1.00 0.00 C ATOM 550 CD PRO A 60 -8.760 -12.280 -22.620 1.00 0.00 C ATOM 0 HA PRO A 60 -11.102 -11.732 -24.843 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.913 -14.337 -24.109 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.659 -13.582 -25.072 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.659 -14.188 -22.105 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.337 -14.314 -23.249 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.648 -12.154 -21.543 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.795 -12.047 -23.070 1.00 0.00 H new ATOM 551 N GLY A 61 -13.220 -12.260 -23.810 1.00 0.00 N ATOM 552 CA GLY A 61 -14.580 -12.250 -23.240 1.00 0.00 C ATOM 553 C GLY A 61 -14.780 -11.090 -22.240 1.00 0.00 C ATOM 554 O GLY A 61 -15.620 -11.160 -21.340 1.00 0.00 O ATOM 0 H GLY A 61 -13.204 -12.250 -24.830 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.310 -12.164 -24.045 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.769 -13.199 -22.737 1.00 0.00 H new ATOM 556 N ALA A 62 -14.010 -10.030 -22.440 1.00 0.00 N ATOM 557 CA ALA A 62 -14.080 -8.830 -21.600 1.00 0.00 C ATOM 558 C ALA A 62 -15.170 -7.950 -22.210 1.00 0.00 C ATOM 559 O ALA A 62 -14.940 -7.240 -23.190 1.00 0.00 O ATOM 560 CB ALA A 62 -12.730 -8.100 -21.580 1.00 0.00 C ATOM 0 H ALA A 62 -13.318 -9.972 -23.187 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.311 -9.082 -20.565 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.805 -7.213 -20.951 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.963 -8.764 -21.181 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.461 -7.804 -22.594 1.00 0.00 H new ATOM 562 N ARG A 63 -16.390 -8.200 -21.730 1.00 0.00 N ATOM 563 CA ARG A 63 -17.580 -7.410 -22.120 1.00 0.00 C ATOM 564 C ARG A 63 -17.290 -5.910 -22.230 1.00 0.00 C ATOM 565 O ARG A 63 -17.890 -5.200 -23.020 1.00 0.00 O ATOM 566 CB ARG A 63 -18.730 -7.610 -21.140 1.00 0.00 C ATOM 567 CG ARG A 63 -19.640 -8.760 -21.590 1.00 0.00 C ATOM 568 CD ARG A 63 -19.770 -9.810 -20.490 1.00 0.00 C ATOM 569 NE ARG A 63 -20.620 -10.910 -20.940 1.00 0.00 N ATOM 570 CZ ARG A 63 -20.690 -12.120 -20.390 1.00 0.00 C ATOM 571 NH1 ARG A 63 -19.940 -12.450 -19.340 1.00 0.00 N ATOM 572 NH2 ARG A 63 -21.510 -13.040 -20.880 1.00 0.00 N ATOM 0 H ARG A 63 -16.590 -8.947 -21.065 1.00 0.00 H new ATOM 0 HA ARG A 63 -17.862 -7.781 -23.105 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -18.334 -7.822 -20.147 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -19.311 -6.691 -21.062 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -20.626 -8.371 -21.846 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.234 -9.219 -22.491 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -18.784 -10.189 -20.221 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.193 -9.357 -19.593 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.214 -10.734 -21.750 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.294 -11.769 -18.940 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -20.011 -13.384 -18.936 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.096 -12.824 -21.687 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.555 -13.964 -20.450 1.00 0.00 H new ATOM 579 N THR A 64 -16.360 -5.470 -21.390 1.00 0.00 N ATOM 580 CA THR A 64 -15.900 -4.070 -21.340 1.00 0.00 C ATOM 581 C THR A 64 -14.360 -4.030 -21.390 1.00 0.00 C ATOM 582 O THR A 64 -13.700 -5.040 -21.620 1.00 0.00 O ATOM 583 CB THR A 64 -16.450 -3.420 -20.050 1.00 0.00 C ATOM 584 OG1 THR A 64 -15.760 -3.950 -18.910 1.00 0.00 O ATOM 585 CG2 THR A 64 -17.970 -3.610 -19.870 1.00 0.00 C ATOM 0 H THR A 64 -15.894 -6.075 -20.714 1.00 0.00 H new ATOM 0 HA THR A 64 -16.270 -3.508 -22.198 1.00 0.00 H new ATOM 0 HB THR A 64 -16.276 -2.348 -20.140 1.00 0.00 H new ATOM 0 HG1 THR A 64 -16.110 -3.535 -18.094 1.00 0.00 H new ATOM 0 HG21 THR A 64 -18.290 -3.130 -18.945 1.00 0.00 H new ATOM 0 HG22 THR A 64 -18.495 -3.161 -20.713 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.201 -4.674 -19.825 1.00 0.00 H new ATOM 588 N ARG A 65 -13.800 -2.890 -20.990 1.00 0.00 N ATOM 589 CA ARG A 65 -12.350 -2.730 -20.820 1.00 0.00 C ATOM 590 C ARG A 65 -11.720 -3.690 -19.800 1.00 0.00 C ATOM 591 O ARG A 65 -10.510 -3.910 -19.830 1.00 0.00 O ATOM 592 CB ARG A 65 -12.000 -1.290 -20.450 1.00 0.00 C ATOM 593 CG ARG A 65 -11.810 -0.530 -21.750 1.00 0.00 C ATOM 594 CD ARG A 65 -11.310 0.890 -21.510 1.00 0.00 C ATOM 595 NE ARG A 65 -12.380 1.890 -21.560 1.00 0.00 N ATOM 596 CZ ARG A 65 -13.280 2.190 -20.620 1.00 0.00 C ATOM 597 NH1 ARG A 65 -13.270 1.630 -19.410 1.00 0.00 N ATOM 598 NH2 ARG A 65 -14.200 3.100 -20.900 1.00 0.00 N ATOM 0 H ARG A 65 -14.335 -2.049 -20.774 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.923 -2.986 -21.790 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -12.795 -0.841 -19.854 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.092 -1.257 -19.848 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.100 -1.063 -22.382 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -12.755 -0.495 -22.292 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.821 0.938 -20.537 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.556 1.135 -22.258 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.446 2.427 -22.425 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.555 0.943 -19.172 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.977 1.889 -18.722 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -14.209 3.552 -21.814 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.900 3.349 -20.201 1.00 0.00 H new ATOM 605 N GLY A 66 -12.600 -4.300 -19.010 1.00 0.00 N ATOM 606 CA GLY A 66 -12.220 -5.240 -17.950 1.00 0.00 C ATOM 607 C GLY A 66 -11.520 -4.440 -16.860 1.00 0.00 C ATOM 608 O GLY A 66 -10.740 -3.520 -17.110 1.00 0.00 O ATOM 0 H GLY A 66 -13.607 -4.157 -19.086 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.100 -5.744 -17.551 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.560 -6.014 -18.342 1.00 0.00 H new ATOM 610 N THR A 67 -11.890 -4.780 -15.640 1.00 0.00 N ATOM 611 CA THR A 67 -11.260 -4.220 -14.430 1.00 0.00 C ATOM 612 C THR A 67 -9.720 -4.210 -14.500 1.00 0.00 C ATOM 613 O THR A 67 -9.040 -3.330 -13.970 1.00 0.00 O ATOM 614 CB THR A 67 -11.770 -5.030 -13.240 1.00 0.00 C ATOM 615 OG1 THR A 67 -11.490 -6.410 -13.470 1.00 0.00 O ATOM 616 CG2 THR A 67 -13.260 -4.790 -12.950 1.00 0.00 C ATOM 0 H THR A 67 -12.634 -5.450 -15.446 1.00 0.00 H new ATOM 0 HA THR A 67 -11.536 -3.170 -14.329 1.00 0.00 H new ATOM 0 HB THR A 67 -11.247 -4.696 -12.344 1.00 0.00 H new ATOM 0 HG1 THR A 67 -11.812 -6.940 -12.711 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.566 -5.392 -12.094 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.422 -3.735 -12.728 1.00 0.00 H new ATOM 0 HG23 THR A 67 -13.850 -5.072 -13.822 1.00 0.00 H new ATOM 619 N ARG A 68 -9.160 -5.150 -15.240 1.00 0.00 N ATOM 620 CA ARG A 68 -7.720 -5.160 -15.580 1.00 0.00 C ATOM 621 C ARG A 68 -7.230 -3.830 -16.140 1.00 0.00 C ATOM 622 O ARG A 68 -7.920 -3.140 -16.880 1.00 0.00 O ATOM 623 CB ARG A 68 -7.430 -6.220 -16.620 1.00 0.00 C ATOM 624 CG ARG A 68 -7.140 -7.540 -15.910 1.00 0.00 C ATOM 625 CD ARG A 68 -7.370 -8.720 -16.850 1.00 0.00 C ATOM 626 NE ARG A 68 -8.810 -8.740 -17.190 1.00 0.00 N ATOM 627 CZ ARG A 68 -9.800 -9.190 -16.420 1.00 0.00 C ATOM 628 NH1 ARG A 68 -9.580 -9.730 -15.230 1.00 0.00 N ATOM 629 NH2 ARG A 68 -11.040 -9.090 -16.870 1.00 0.00 N ATOM 0 H ARG A 68 -9.679 -5.936 -15.630 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.198 -5.363 -14.645 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.281 -6.332 -17.292 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.577 -5.925 -17.232 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.110 -7.548 -15.553 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.781 -7.636 -15.034 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.764 -8.617 -17.750 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.075 -9.654 -16.372 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.071 -8.373 -18.105 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.627 -9.812 -14.875 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.364 -10.064 -14.669 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.219 -8.677 -17.785 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.817 -9.426 -16.302 1.00 0.00 H new ATOM 636 N ARG A 69 -6.040 -3.480 -15.680 1.00 0.00 N ATOM 637 CA ARG A 69 -5.360 -2.240 -16.060 1.00 0.00 C ATOM 638 C ARG A 69 -3.880 -2.330 -15.650 1.00 0.00 C ATOM 639 O ARG A 69 -3.530 -2.820 -14.590 1.00 0.00 O ATOM 640 CB ARG A 69 -6.060 -1.050 -15.370 1.00 0.00 C ATOM 641 CG ARG A 69 -5.460 0.330 -15.630 1.00 0.00 C ATOM 642 CD ARG A 69 -6.150 1.070 -16.770 1.00 0.00 C ATOM 643 NE ARG A 69 -6.540 2.420 -16.330 1.00 0.00 N ATOM 644 CZ ARG A 69 -7.540 3.140 -16.820 1.00 0.00 C ATOM 645 NH1 ARG A 69 -8.410 2.630 -17.670 1.00 0.00 N ATOM 646 NH2 ARG A 69 -7.770 4.370 -16.400 1.00 0.00 N ATOM 0 H ARG A 69 -5.508 -4.052 -15.024 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.409 -2.091 -17.139 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.103 -1.035 -15.687 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.057 -1.228 -14.295 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.528 0.928 -14.721 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.400 0.222 -15.862 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.482 1.137 -17.628 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.031 0.516 -17.094 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.991 2.840 -15.580 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.323 1.658 -17.967 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.169 3.208 -18.031 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.173 4.785 -15.685 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.545 4.906 -16.791 1.00 0.00 H new ATOM 653 N ILE A 70 -3.060 -1.850 -16.580 1.00 0.00 N ATOM 654 CA ILE A 70 -1.620 -1.710 -16.340 1.00 0.00 C ATOM 655 C ILE A 70 -1.280 -0.240 -16.120 1.00 0.00 C ATOM 656 O ILE A 70 -1.710 0.640 -16.870 1.00 0.00 O ATOM 657 CB ILE A 70 -0.770 -2.400 -17.420 1.00 0.00 C ATOM 658 CG1 ILE A 70 -0.610 -3.870 -16.980 1.00 0.00 C ATOM 659 CG2 ILE A 70 0.590 -1.720 -17.710 1.00 0.00 C ATOM 660 CD1 ILE A 70 0.360 -4.760 -17.770 1.00 0.00 C ATOM 0 H ILE A 70 -3.363 -1.551 -17.507 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.359 -2.242 -15.425 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.284 -2.322 -18.378 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.292 -3.873 -15.938 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.594 -4.337 -17.014 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.118 -2.277 -18.484 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.421 -0.698 -18.050 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.191 -1.705 -16.801 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.364 -5.763 -17.343 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.041 -4.811 -18.811 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.364 -4.339 -17.718 1.00 0.00 H new ATOM 662 N ILE A 71 -0.410 -0.060 -15.140 1.00 0.00 N ATOM 663 CA ILE A 71 0.070 1.280 -14.750 1.00 0.00 C ATOM 664 C ILE A 71 1.600 1.260 -14.740 1.00 0.00 C ATOM 665 O ILE A 71 2.220 0.620 -13.900 1.00 0.00 O ATOM 666 CB ILE A 71 -0.500 1.710 -13.390 1.00 0.00 C ATOM 667 CG1 ILE A 71 -2.010 1.460 -13.240 1.00 0.00 C ATOM 668 CG2 ILE A 71 -0.170 3.180 -13.150 1.00 0.00 C ATOM 669 CD1 ILE A 71 -2.880 2.150 -14.300 1.00 0.00 C ATOM 0 H ILE A 71 -0.013 -0.822 -14.590 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.279 2.018 -15.472 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.027 1.085 -12.633 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.193 0.386 -13.281 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.325 1.799 -12.253 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.572 3.491 -12.186 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.912 3.315 -13.152 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.613 3.786 -13.940 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.929 1.919 -14.116 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.732 3.229 -14.247 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.598 1.794 -15.291 1.00 0.00 H new ATOM 671 N THR A 72 2.180 1.830 -15.760 1.00 0.00 N ATOM 672 CA THR A 72 3.650 1.920 -15.880 1.00 0.00 C ATOM 673 C THR A 72 4.180 3.190 -15.200 1.00 0.00 C ATOM 674 O THR A 72 3.410 4.100 -14.890 1.00 0.00 O ATOM 675 CB THR A 72 4.050 1.880 -17.350 1.00 0.00 C ATOM 676 OG1 THR A 72 3.170 2.770 -18.020 1.00 0.00 O ATOM 677 CG2 THR A 72 3.940 0.460 -17.910 1.00 0.00 C ATOM 0 H THR A 72 1.671 2.249 -16.538 1.00 0.00 H new ATOM 0 HA THR A 72 4.097 1.066 -15.372 1.00 0.00 H new ATOM 0 HB THR A 72 5.089 2.179 -17.488 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.839 2.347 -18.840 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.231 0.460 -18.960 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.599 -0.204 -17.351 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.911 0.111 -17.818 1.00 0.00 H new ATOM 680 N GLY A 73 5.480 3.170 -14.950 1.00 0.00 N ATOM 681 CA GLY A 73 6.190 4.300 -14.310 1.00 0.00 C ATOM 682 C GLY A 73 7.000 5.080 -15.360 1.00 0.00 C ATOM 683 O GLY A 73 6.970 4.770 -16.550 1.00 0.00 O ATOM 0 H GLY A 73 6.083 2.380 -15.179 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.473 4.963 -13.827 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.854 3.927 -13.531 1.00 0.00 H new ATOM 685 N GLU A 74 7.810 6.000 -14.870 1.00 0.00 N ATOM 686 CA GLU A 74 8.720 6.770 -15.760 1.00 0.00 C ATOM 687 C GLU A 74 10.050 6.040 -16.000 1.00 0.00 C ATOM 688 O GLU A 74 10.870 6.450 -16.820 1.00 0.00 O ATOM 689 CB GLU A 74 9.010 8.140 -15.140 1.00 0.00 C ATOM 690 CG GLU A 74 9.470 9.220 -16.110 1.00 0.00 C ATOM 691 CD GLU A 74 8.350 10.240 -16.300 1.00 0.00 C ATOM 692 OE1 GLU A 74 8.200 11.080 -15.390 1.00 0.00 O ATOM 693 OE2 GLU A 74 7.700 10.180 -17.360 1.00 0.00 O ATOM 0 H GLU A 74 7.872 6.244 -13.882 1.00 0.00 H new ATOM 0 HA GLU A 74 8.217 6.881 -16.721 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.108 8.489 -14.638 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.775 8.017 -14.373 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.364 9.712 -15.727 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.737 8.774 -17.068 1.00 0.00 H new ATOM 695 N ALA A 75 10.270 4.990 -15.220 1.00 0.00 N ATOM 696 CA ALA A 75 11.460 4.130 -15.360 1.00 0.00 C ATOM 697 C ALA A 75 10.970 2.710 -15.620 1.00 0.00 C ATOM 698 O ALA A 75 10.010 2.240 -14.990 1.00 0.00 O ATOM 699 CB ALA A 75 12.290 4.210 -14.080 1.00 0.00 C ATOM 0 H ALA A 75 9.638 4.703 -14.473 1.00 0.00 H new ATOM 0 HA ALA A 75 12.094 4.451 -16.186 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.171 3.576 -14.178 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.601 5.241 -13.912 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.690 3.870 -13.236 1.00 0.00 H new ATOM 701 N THR A 76 11.570 2.100 -16.630 1.00 0.00 N ATOM 702 CA THR A 76 11.300 0.680 -16.980 1.00 0.00 C ATOM 703 C THR A 76 11.400 -0.150 -15.700 1.00 0.00 C ATOM 704 O THR A 76 12.200 0.170 -14.810 1.00 0.00 O ATOM 705 CB THR A 76 12.270 0.220 -18.080 1.00 0.00 C ATOM 706 OG1 THR A 76 11.840 0.850 -19.290 1.00 0.00 O ATOM 707 CG2 THR A 76 12.360 -1.300 -18.330 1.00 0.00 C ATOM 0 H THR A 76 12.254 2.554 -17.236 1.00 0.00 H new ATOM 0 HA THR A 76 10.297 0.551 -17.388 1.00 0.00 H new ATOM 0 HB THR A 76 13.269 0.501 -17.746 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.433 0.587 -20.025 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.076 -1.496 -19.128 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.687 -1.800 -17.418 1.00 0.00 H new ATOM 0 HG23 THR A 76 11.380 -1.680 -18.621 1.00 0.00 H new ATOM 710 N GLN A 77 10.540 -1.160 -15.650 1.00 0.00 N ATOM 711 CA GLN A 77 10.420 -2.170 -14.560 1.00 0.00 C ATOM 712 C GLN A 77 9.600 -1.590 -13.400 1.00 0.00 C ATOM 713 O GLN A 77 10.010 -1.610 -12.240 1.00 0.00 O ATOM 714 CB GLN A 77 11.760 -2.700 -14.010 1.00 0.00 C ATOM 715 CG GLN A 77 12.850 -2.830 -15.070 1.00 0.00 C ATOM 716 CD GLN A 77 13.640 -4.120 -15.030 1.00 0.00 C ATOM 717 OE1 GLN A 77 13.350 -5.070 -14.320 1.00 0.00 O ATOM 718 NE2 GLN A 77 14.580 -4.180 -15.930 1.00 0.00 N ATOM 0 H GLN A 77 9.865 -1.321 -16.398 1.00 0.00 H new ATOM 0 HA GLN A 77 9.922 -3.025 -15.018 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.109 -2.032 -13.223 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.594 -3.675 -13.551 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.390 -2.735 -16.054 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.542 -1.995 -14.960 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.791 -3.363 -16.503 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.105 -5.044 -16.062 1.00 0.00 H new ATOM 722 N GLU A 78 8.390 -1.170 -13.770 1.00 0.00 N ATOM 723 CA GLU A 78 7.390 -0.520 -12.890 1.00 0.00 C ATOM 724 C GLU A 78 5.980 -0.440 -13.490 1.00 0.00 C ATOM 725 O GLU A 78 5.320 0.590 -13.500 1.00 0.00 O ATOM 726 CB GLU A 78 7.820 0.840 -12.310 1.00 0.00 C ATOM 727 CG GLU A 78 8.630 0.660 -11.030 1.00 0.00 C ATOM 728 CD GLU A 78 8.300 1.660 -9.940 1.00 0.00 C ATOM 729 OE1 GLU A 78 8.790 2.800 -10.050 1.00 0.00 O ATOM 730 OE2 GLU A 78 7.690 1.210 -8.950 1.00 0.00 O ATOM 0 H GLU A 78 8.056 -1.273 -14.728 1.00 0.00 H new ATOM 0 HA GLU A 78 7.341 -1.209 -12.047 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.414 1.382 -13.046 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.938 1.446 -12.104 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.463 -0.347 -10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.690 0.738 -11.270 1.00 0.00 H new ATOM 732 N ASP A 79 5.480 -1.600 -13.880 1.00 0.00 N ATOM 733 CA ASP A 79 4.160 -1.780 -14.530 1.00 0.00 C ATOM 734 C ASP A 79 3.210 -2.540 -13.620 1.00 0.00 C ATOM 735 O ASP A 79 3.340 -3.740 -13.460 1.00 0.00 O ATOM 736 CB ASP A 79 4.270 -2.490 -15.890 1.00 0.00 C ATOM 737 CG ASP A 79 5.450 -3.450 -16.090 1.00 0.00 C ATOM 738 OD1 ASP A 79 6.030 -3.940 -15.080 1.00 0.00 O ATOM 739 OD2 ASP A 79 5.880 -3.560 -17.250 1.00 0.00 O ATOM 0 H ASP A 79 5.984 -2.478 -13.757 1.00 0.00 H new ATOM 0 HA ASP A 79 3.760 -0.782 -14.712 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.349 -3.049 -16.054 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.321 -1.726 -16.666 1.00 0.00 H new ATOM 741 N TYR A 80 2.440 -1.790 -12.860 1.00 0.00 N ATOM 742 CA TYR A 80 1.470 -2.310 -11.890 1.00 0.00 C ATOM 743 C TYR A 80 0.250 -2.870 -12.610 1.00 0.00 C ATOM 744 O TYR A 80 -0.270 -2.260 -13.540 1.00 0.00 O ATOM 745 CB TYR A 80 1.010 -1.150 -11.000 1.00 0.00 C ATOM 746 CG TYR A 80 2.180 -0.320 -10.470 1.00 0.00 C ATOM 747 CD1 TYR A 80 2.780 -0.700 -9.260 1.00 0.00 C ATOM 748 CD2 TYR A 80 2.610 0.820 -11.180 1.00 0.00 C ATOM 749 CE1 TYR A 80 3.820 0.100 -8.750 1.00 0.00 C ATOM 750 CE2 TYR A 80 3.650 1.610 -10.680 1.00 0.00 C ATOM 751 CZ TYR A 80 4.230 1.250 -9.460 1.00 0.00 C ATOM 752 OH TYR A 80 5.170 2.060 -8.920 1.00 0.00 O ATOM 0 H TYR A 80 2.464 -0.771 -12.893 1.00 0.00 H new ATOM 0 HA TYR A 80 1.937 -3.100 -11.302 1.00 0.00 H new ATOM 0 HB2 TYR A 80 0.339 -0.505 -11.567 1.00 0.00 H new ATOM 0 HB3 TYR A 80 0.439 -1.545 -10.160 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.452 -1.584 -8.733 1.00 0.00 H new ATOM 0 HD2 TYR A 80 2.135 1.084 -12.113 1.00 0.00 H new ATOM 0 HE1 TYR A 80 4.302 -0.164 -7.820 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.997 2.477 -11.223 1.00 0.00 H new ATOM 0 HH TYR A 80 5.961 1.532 -8.685 1.00 0.00 H new ATOM 755 N TYR A 81 -0.190 -4.030 -12.160 1.00 0.00 N ATOM 756 CA TYR A 81 -1.350 -4.720 -12.760 1.00 0.00 C ATOM 757 C TYR A 81 -2.400 -4.920 -11.680 1.00 0.00 C ATOM 758 O TYR A 81 -2.310 -5.840 -10.870 1.00 0.00 O ATOM 759 CB TYR A 81 -0.890 -6.060 -13.330 1.00 0.00 C ATOM 760 CG TYR A 81 -2.010 -6.930 -13.890 1.00 0.00 C ATOM 761 CD1 TYR A 81 -2.380 -6.800 -15.250 1.00 0.00 C ATOM 762 CD2 TYR A 81 -2.620 -7.870 -13.030 1.00 0.00 C ATOM 763 CE1 TYR A 81 -3.360 -7.660 -15.750 1.00 0.00 C ATOM 764 CE2 TYR A 81 -3.610 -8.720 -13.540 1.00 0.00 C ATOM 765 CZ TYR A 81 -3.950 -8.610 -14.900 1.00 0.00 C ATOM 766 OH TYR A 81 -4.790 -9.540 -15.430 1.00 0.00 O ATOM 0 H TYR A 81 0.232 -4.529 -11.376 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.780 -4.130 -13.569 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.163 -5.873 -14.120 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.374 -6.615 -12.547 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.918 -6.057 -15.883 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -2.327 -7.933 -11.992 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.663 -7.595 -16.785 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.100 -9.442 -12.904 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.118 -10.128 -14.718 1.00 0.00 H new ATOM 769 N THR A 82 -3.280 -3.940 -11.610 1.00 0.00 N ATOM 770 CA THR A 82 -4.480 -4.040 -10.750 1.00 0.00 C ATOM 771 C THR A 82 -5.180 -5.400 -10.860 1.00 0.00 C ATOM 772 O THR A 82 -4.990 -6.310 -10.050 1.00 0.00 O ATOM 773 CB THR A 82 -5.450 -2.840 -10.880 1.00 0.00 C ATOM 774 OG1 THR A 82 -6.770 -3.190 -10.480 1.00 0.00 O ATOM 775 CG2 THR A 82 -5.450 -2.150 -12.230 1.00 0.00 C ATOM 0 H THR A 82 -3.202 -3.065 -12.128 1.00 0.00 H new ATOM 0 HA THR A 82 -4.103 -3.979 -9.729 1.00 0.00 H new ATOM 0 HB THR A 82 -5.054 -2.096 -10.189 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.741 -3.631 -9.605 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.162 -1.325 -12.217 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.452 -1.765 -12.442 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.736 -2.863 -13.003 1.00 0.00 H new ATOM 778 N GLY A 83 -5.880 -5.540 -11.970 1.00 0.00 N ATOM 779 CA GLY A 83 -6.710 -6.720 -12.260 1.00 0.00 C ATOM 780 C GLY A 83 -8.040 -6.710 -11.480 1.00 0.00 C ATOM 781 O GLY A 83 -8.780 -7.690 -11.470 1.00 0.00 O ATOM 0 H GLY A 83 -5.896 -4.838 -12.710 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.919 -6.760 -13.329 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.153 -7.623 -12.011 1.00 0.00 H new ATOM 783 N ASP A 84 -8.310 -5.590 -10.820 1.00 0.00 N ATOM 784 CA ASP A 84 -9.570 -5.350 -10.070 1.00 0.00 C ATOM 785 C ASP A 84 -10.120 -3.920 -10.230 1.00 0.00 C ATOM 786 O ASP A 84 -10.980 -3.510 -9.460 1.00 0.00 O ATOM 787 CB ASP A 84 -9.350 -5.650 -8.590 1.00 0.00 C ATOM 788 CG ASP A 84 -9.280 -7.130 -8.200 1.00 0.00 C ATOM 789 OD1 ASP A 84 -10.250 -7.850 -8.530 1.00 0.00 O ATOM 790 OD2 ASP A 84 -8.320 -7.450 -7.470 1.00 0.00 O ATOM 0 H ASP A 84 -7.662 -4.803 -10.781 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.317 -6.021 -10.495 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.423 -5.170 -8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.156 -5.185 -8.023 1.00 0.00 H new ATOM 792 N HIS A 85 -9.640 -3.220 -11.260 1.00 0.00 N ATOM 793 CA HIS A 85 -10.040 -1.840 -11.630 1.00 0.00 C ATOM 794 C HIS A 85 -9.560 -0.820 -10.610 1.00 0.00 C ATOM 795 O HIS A 85 -10.240 -0.560 -9.620 1.00 0.00 O ATOM 796 CB HIS A 85 -11.550 -1.740 -11.830 1.00 0.00 C ATOM 797 CG HIS A 85 -11.980 -0.400 -12.410 1.00 0.00 C ATOM 798 ND1 HIS A 85 -12.470 0.600 -11.690 1.00 0.00 N ATOM 799 CD2 HIS A 85 -11.990 -0.070 -13.690 1.00 0.00 C ATOM 800 CE1 HIS A 85 -12.790 1.570 -12.530 1.00 0.00 C ATOM 801 NE2 HIS A 85 -12.500 1.160 -13.760 1.00 0.00 N ATOM 0 H HIS A 85 -8.935 -3.604 -11.890 1.00 0.00 H new ATOM 0 HA HIS A 85 -9.555 -1.607 -12.578 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -11.878 -2.540 -12.494 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -12.050 -1.894 -10.874 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -11.652 -0.677 -14.517 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -13.213 2.527 -12.263 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -12.644 1.697 -14.615 1.00 0.00 H new ATOM 805 N TYR A 86 -8.300 -0.430 -10.810 1.00 0.00 N ATOM 806 CA TYR A 86 -7.630 0.470 -9.860 1.00 0.00 C ATOM 807 C TYR A 86 -7.740 0.020 -8.390 1.00 0.00 C ATOM 808 O TYR A 86 -7.710 0.800 -7.450 1.00 0.00 O ATOM 809 CB TYR A 86 -8.210 1.880 -10.040 1.00 0.00 C ATOM 810 CG TYR A 86 -7.690 2.600 -11.280 1.00 0.00 C ATOM 811 CD1 TYR A 86 -6.300 2.550 -11.530 1.00 0.00 C ATOM 812 CD2 TYR A 86 -8.580 3.330 -12.090 1.00 0.00 C ATOM 813 CE1 TYR A 86 -5.800 3.240 -12.640 1.00 0.00 C ATOM 814 CE2 TYR A 86 -8.070 4.050 -13.180 1.00 0.00 C ATOM 815 CZ TYR A 86 -6.680 4.010 -13.420 1.00 0.00 C ATOM 816 OH TYR A 86 -6.120 4.870 -14.300 1.00 0.00 O ATOM 0 H TYR A 86 -7.728 -0.715 -11.605 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.563 0.453 -10.084 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.296 1.812 -10.098 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.974 2.476 -9.158 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.640 1.993 -10.881 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.638 3.336 -11.876 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.752 3.182 -12.894 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.725 4.621 -13.820 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.584 5.531 -13.815 1.00 0.00 H new ATOM 819 N ALA A 87 -7.910 -1.280 -8.180 1.00 0.00 N ATOM 820 CA ALA A 87 -8.160 -1.750 -6.820 1.00 0.00 C ATOM 821 C ALA A 87 -6.860 -2.190 -6.150 1.00 0.00 C ATOM 822 O ALA A 87 -6.400 -1.560 -5.200 1.00 0.00 O ATOM 823 CB ALA A 87 -9.240 -2.830 -6.790 1.00 0.00 C ATOM 0 H ALA A 87 -7.882 -2.003 -8.899 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.550 -0.917 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.400 -3.156 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.170 -2.426 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -8.922 -3.679 -7.395 1.00 0.00 H new ATOM 825 N THR A 88 -6.200 -3.150 -6.790 1.00 0.00 N ATOM 826 CA THR A 88 -4.900 -3.670 -6.320 1.00 0.00 C ATOM 827 C THR A 88 -3.830 -3.250 -7.330 1.00 0.00 C ATOM 828 O THR A 88 -4.140 -2.520 -8.260 1.00 0.00 O ATOM 829 CB THR A 88 -5.000 -5.190 -6.240 1.00 0.00 C ATOM 830 OG1 THR A 88 -5.510 -5.640 -7.490 1.00 0.00 O ATOM 831 CG2 THR A 88 -5.930 -5.630 -5.100 1.00 0.00 C ATOM 0 H THR A 88 -6.539 -3.593 -7.644 1.00 0.00 H new ATOM 0 HA THR A 88 -4.638 -3.277 -5.337 1.00 0.00 H new ATOM 0 HB THR A 88 -4.020 -5.620 -6.034 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.770 -5.757 -8.122 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.979 -6.718 -5.070 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.543 -5.258 -4.151 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.928 -5.226 -5.268 1.00 0.00 H new ATOM 834 N PHE A 89 -2.580 -3.600 -7.070 1.00 0.00 N ATOM 835 CA PHE A 89 -1.420 -3.190 -7.900 1.00 0.00 C ATOM 836 C PHE A 89 -0.260 -4.130 -7.580 1.00 0.00 C ATOM 837 O PHE A 89 0.070 -4.330 -6.410 1.00 0.00 O ATOM 838 CB PHE A 89 -1.000 -1.740 -7.610 1.00 0.00 C ATOM 839 CG PHE A 89 -2.070 -0.730 -8.040 1.00 0.00 C ATOM 840 CD1 PHE A 89 -2.150 -0.340 -9.400 1.00 0.00 C ATOM 841 CD2 PHE A 89 -3.010 -0.260 -7.100 1.00 0.00 C ATOM 842 CE1 PHE A 89 -3.160 0.550 -9.810 1.00 0.00 C ATOM 843 CE2 PHE A 89 -4.050 0.600 -7.520 1.00 0.00 C ATOM 844 CZ PHE A 89 -4.110 1.010 -8.870 1.00 0.00 C ATOM 0 H PHE A 89 -2.323 -4.182 -6.273 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.696 -3.247 -8.953 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.804 -1.627 -6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.067 -1.523 -8.131 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.440 -0.724 -10.118 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.936 -0.556 -6.064 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.209 0.880 -10.837 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.793 0.941 -6.814 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.892 1.684 -9.188 1.00 0.00 H new ATOM 846 N SER A 90 0.200 -4.770 -8.640 1.00 0.00 N ATOM 847 CA SER A 90 1.310 -5.730 -8.530 1.00 0.00 C ATOM 848 C SER A 90 2.220 -5.560 -9.730 1.00 0.00 C ATOM 849 O SER A 90 1.760 -5.730 -10.860 1.00 0.00 O ATOM 850 CB SER A 90 0.830 -7.180 -8.480 1.00 0.00 C ATOM 851 OG SER A 90 -0.350 -7.280 -7.690 1.00 0.00 O ATOM 0 H SER A 90 -0.167 -4.652 -9.584 1.00 0.00 H new ATOM 0 HA SER A 90 1.834 -5.524 -7.597 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.632 -7.540 -9.490 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.611 -7.815 -8.062 1.00 0.00 H new ATOM 0 HG SER A 90 -0.650 -8.213 -7.666 1.00 0.00 H new ATOM 854 N LEU A 91 3.400 -4.990 -9.490 1.00 0.00 N ATOM 855 CA LEU A 91 4.420 -4.790 -10.540 1.00 0.00 C ATOM 856 C LEU A 91 4.580 -6.010 -11.450 1.00 0.00 C ATOM 857 O LEU A 91 4.170 -7.100 -11.100 1.00 0.00 O ATOM 858 CB LEU A 91 5.800 -4.440 -9.960 1.00 0.00 C ATOM 859 CG LEU A 91 5.930 -2.980 -9.510 1.00 0.00 C ATOM 860 CD1 LEU A 91 7.400 -2.640 -9.240 1.00 0.00 C ATOM 861 CD2 LEU A 91 5.450 -2.070 -10.630 1.00 0.00 C ATOM 0 H LEU A 91 3.683 -4.653 -8.570 1.00 0.00 H new ATOM 0 HA LEU A 91 4.049 -3.950 -11.128 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.002 -5.092 -9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.563 -4.648 -10.710 1.00 0.00 H new ATOM 0 HG LEU A 91 5.338 -2.840 -8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.480 -1.601 -8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.786 -3.291 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.980 -2.786 -10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.539 -1.030 -10.317 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.059 -2.235 -11.519 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.407 -2.292 -10.858 1.00 0.00 H new ATOM 863 N ILE A 92 5.170 -5.850 -12.620 1.00 0.00 N ATOM 864 CA ILE A 92 5.360 -6.990 -13.540 1.00 0.00 C ATOM 865 C ILE A 92 6.840 -7.330 -13.630 1.00 0.00 C ATOM 866 O ILE A 92 7.660 -6.530 -14.100 1.00 0.00 O ATOM 867 CB ILE A 92 4.670 -6.680 -14.890 1.00 0.00 C ATOM 868 CG1 ILE A 92 3.210 -7.070 -14.920 1.00 0.00 C ATOM 869 CG2 ILE A 92 5.320 -7.360 -16.090 1.00 0.00 C ATOM 870 CD1 ILE A 92 2.310 -6.310 -13.960 1.00 0.00 C ATOM 0 H ILE A 92 5.527 -4.959 -12.966 1.00 0.00 H new ATOM 0 HA ILE A 92 4.879 -7.894 -13.167 1.00 0.00 H new ATOM 0 HB ILE A 92 4.782 -5.599 -14.968 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.834 -6.927 -15.933 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.132 -8.134 -14.699 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.778 -7.093 -16.997 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.356 -7.033 -16.176 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.291 -8.441 -15.955 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.285 -6.667 -14.062 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.650 -6.472 -12.937 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.348 -5.245 -14.191 1.00 0.00 H new ATOM 872 N ASP A 93 7.110 -8.580 -13.290 1.00 0.00 N ATOM 873 CA ASP A 93 8.470 -9.130 -13.400 1.00 0.00 C ATOM 874 C ASP A 93 8.570 -9.940 -14.690 1.00 0.00 C ATOM 875 O ASP A 93 8.190 -11.110 -14.720 1.00 0.00 O ATOM 876 CB ASP A 93 8.810 -10.000 -12.190 1.00 0.00 C ATOM 877 CG ASP A 93 10.010 -9.460 -11.410 1.00 0.00 C ATOM 878 OD1 ASP A 93 10.870 -8.820 -12.040 1.00 0.00 O ATOM 879 OD2 ASP A 93 10.040 -9.720 -10.190 1.00 0.00 O ATOM 0 H ASP A 93 6.415 -9.238 -12.936 1.00 0.00 H new ATOM 0 HA ASP A 93 9.188 -8.311 -13.424 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.945 -10.055 -11.530 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.022 -11.016 -12.523 1.00 0.00 H new ATOM 881 N GLN A 94 9.100 -9.280 -15.710 1.00 0.00 N ATOM 882 CA GLN A 94 9.310 -9.890 -17.040 1.00 0.00 C ATOM 883 C GLN A 94 10.250 -11.110 -16.950 1.00 0.00 C ATOM 884 O GLN A 94 9.940 -12.170 -17.480 1.00 0.00 O ATOM 885 CB GLN A 94 9.910 -8.900 -18.050 1.00 0.00 C ATOM 886 CG GLN A 94 9.200 -7.540 -18.090 1.00 0.00 C ATOM 887 CD GLN A 94 10.160 -6.460 -17.590 1.00 0.00 C ATOM 888 OE1 GLN A 94 11.200 -6.180 -18.170 1.00 0.00 O ATOM 889 NE2 GLN A 94 9.870 -5.860 -16.450 1.00 0.00 N ATOM 0 H GLN A 94 9.400 -8.307 -15.652 1.00 0.00 H new ATOM 0 HA GLN A 94 8.323 -10.196 -17.386 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.961 -8.742 -17.808 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.875 -9.346 -19.044 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.876 -7.314 -19.106 1.00 0.00 H new ATOM 0 HG3 GLN A 94 8.305 -7.565 -17.468 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.005 -6.087 -15.960 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.511 -5.169 -16.060 1.00 0.00 H new ATOM 893 N THR A 95 11.280 -10.950 -16.120 1.00 0.00 N ATOM 894 CA THR A 95 12.240 -12.020 -15.740 1.00 0.00 C ATOM 895 C THR A 95 11.540 -13.280 -15.200 1.00 0.00 C ATOM 896 O THR A 95 11.900 -14.410 -15.510 1.00 0.00 O ATOM 897 CB THR A 95 13.300 -11.530 -14.740 1.00 0.00 C ATOM 898 OG1 THR A 95 13.980 -12.650 -14.180 1.00 0.00 O ATOM 899 CG2 THR A 95 12.770 -10.640 -13.610 1.00 0.00 C ATOM 0 H THR A 95 11.487 -10.056 -15.675 1.00 0.00 H new ATOM 0 HA THR A 95 12.749 -12.292 -16.664 1.00 0.00 H new ATOM 0 HB THR A 95 13.973 -10.898 -15.319 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.657 -12.337 -13.544 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.595 -10.348 -12.960 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.309 -9.748 -14.035 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.029 -11.190 -13.031 1.00 0.00 H new ATOM 902 N CYS A 96 10.470 -13.040 -14.450 1.00 0.00 N ATOM 903 CA CYS A 96 9.620 -14.130 -13.940 1.00 0.00 C ATOM 904 C CYS A 96 8.400 -14.370 -14.860 1.00 0.00 C ATOM 905 O CYS A 96 8.250 -13.650 -15.870 1.00 0.00 O ATOM 906 CB CYS A 96 9.260 -13.800 -12.480 1.00 0.00 C ATOM 907 SG CYS A 96 8.580 -15.230 -11.580 1.00 0.00 S ATOM 908 OXT CYS A 96 7.530 -15.200 -14.500 1.00 0.00 O ATOM 0 H CYS A 96 10.164 -12.106 -14.178 1.00 0.00 H new ATOM 0 HA CYS A 96 10.151 -15.082 -13.949 1.00 0.00 H new ATOM 0 HB2 CYS A 96 10.150 -13.441 -11.963 1.00 0.00 H new ATOM 0 HB3 CYS A 96 8.533 -12.988 -12.464 1.00 0.00 H new TER 910 CYS A 96