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 53 HIS : no HD1:sc= -0.84 X(o=-0.84,f=-1.3) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 52 TYR OH : rot 50:sc= 0.506 USER MOD Set 2.2: A 80 TYR OH : rot 75:sc= 0.00112 USER MOD Set 3.1: A 32 GLN : amide:sc= -2.67 K(o=-4.6,f=-9.1!) USER MOD Set 3.2: A 56 THR OG1 : rot -74:sc= -1.95 USER MOD Single : A 1 ASP N :NH3+ 142:sc= 0.0453 (180deg=-0.0451) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -170:sc= -2.07! USER MOD Single : A 18 THR OG1 : rot -142:sc= -0.306 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -11:sc= -1.85! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.52) USER MOD Single : A 39 ASN : amide:sc= -2.6 K(o=-2.6,f=-10!) USER MOD Single : A 42 SER OG : rot -46:sc= 0.326 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.359 K(o=-0.36,f=-1.9!) USER MOD Single : A 48 SER OG : rot -179:sc= -1.85 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 35:sc= 1.05 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 72 THR OG1 : rot -121:sc= -0.397 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 81 TYR OH : rot -49:sc= -0.421 USER MOD Single : A 82 THR OG1 : rot 62:sc= 0.844 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -69:sc= 2.63 USER MOD Single : A 88 THR OG1 : rot 94:sc= 0.616 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.200 0.030 0.020 1.00 0.00 N ATOM 2 CA ASP A 1 2.030 0.020 -1.210 1.00 0.00 C ATOM 3 C ASP A 1 3.420 -0.600 -0.950 1.00 0.00 C ATOM 4 O ASP A 1 3.790 -0.840 0.200 1.00 0.00 O ATOM 5 CB ASP A 1 2.130 1.440 -1.790 1.00 0.00 C ATOM 6 CG ASP A 1 2.520 2.520 -0.770 1.00 0.00 C ATOM 7 OD1 ASP A 1 3.550 2.330 -0.080 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.790 3.530 -0.730 1.00 0.00 O ATOM 0 H1 ASP A 1 0.645 0.909 0.057 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.555 -0.786 0.010 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.817 -0.026 0.855 1.00 0.00 H new ATOM 0 HA ASP A 1 1.544 -0.613 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 1 2.863 1.438 -2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 1 1.170 1.706 -2.233 1.00 0.00 H new ATOM 12 N VAL A 2 4.170 -0.820 -2.030 1.00 0.00 N ATOM 13 CA VAL A 2 5.550 -1.350 -1.990 1.00 0.00 C ATOM 14 C VAL A 2 6.330 -0.610 -0.890 1.00 0.00 C ATOM 15 O VAL A 2 6.360 0.620 -0.870 1.00 0.00 O ATOM 16 CB VAL A 2 6.250 -1.130 -3.340 1.00 0.00 C ATOM 17 CG1 VAL A 2 7.540 -1.950 -3.440 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.370 -1.580 -4.500 1.00 0.00 C ATOM 0 H VAL A 2 3.838 -0.635 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 2 5.518 -2.420 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 2 6.459 -0.062 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.010 -1.772 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.223 -1.653 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.306 -3.010 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.894 -1.411 -5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.145 -2.641 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.441 -1.010 -4.495 1.00 0.00 H new ATOM 20 N SER A 3 6.990 -1.400 -0.050 1.00 0.00 N ATOM 21 CA SER A 3 7.770 -0.860 1.080 1.00 0.00 C ATOM 22 C SER A 3 9.130 -0.270 0.650 1.00 0.00 C ATOM 23 O SER A 3 9.980 0.090 1.460 1.00 0.00 O ATOM 24 CB SER A 3 7.970 -1.960 2.130 1.00 0.00 C ATOM 25 OG SER A 3 7.850 -1.400 3.430 1.00 0.00 O ATOM 0 H SER A 3 7.006 -2.417 -0.122 1.00 0.00 H new ATOM 0 HA SER A 3 7.201 -0.033 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.230 -2.748 1.992 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.951 -2.419 2.009 1.00 0.00 H new ATOM 0 HG SER A 3 7.976 -2.102 4.102 1.00 0.00 H new ATOM 28 N GLY A 4 9.300 -0.190 -0.670 1.00 0.00 N ATOM 29 CA GLY A 4 10.500 0.340 -1.350 1.00 0.00 C ATOM 30 C GLY A 4 11.100 -0.740 -2.250 1.00 0.00 C ATOM 31 O GLY A 4 10.440 -1.700 -2.650 1.00 0.00 O ATOM 0 H GLY A 4 8.584 -0.502 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.237 1.216 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.235 0.663 -0.613 1.00 0.00 H new ATOM 33 N THR A 5 12.350 -0.500 -2.610 1.00 0.00 N ATOM 34 CA THR A 5 13.120 -1.400 -3.490 1.00 0.00 C ATOM 35 C THR A 5 14.110 -2.210 -2.650 1.00 0.00 C ATOM 36 O THR A 5 14.200 -2.060 -1.430 1.00 0.00 O ATOM 37 CB THR A 5 13.820 -0.540 -4.560 1.00 0.00 C ATOM 38 OG1 THR A 5 12.910 0.500 -4.990 1.00 0.00 O ATOM 39 CG2 THR A 5 14.210 -1.320 -5.810 1.00 0.00 C ATOM 0 H THR A 5 12.871 0.323 -2.306 1.00 0.00 H new ATOM 0 HA THR A 5 12.471 -2.115 -3.995 1.00 0.00 H new ATOM 0 HB THR A 5 14.728 -0.154 -4.096 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.346 1.055 -5.670 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.698 -0.651 -6.519 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.895 -2.123 -5.539 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.316 -1.745 -6.267 1.00 0.00 H new ATOM 42 N VAL A 6 14.710 -3.190 -3.290 1.00 0.00 N ATOM 43 CA VAL A 6 15.640 -4.140 -2.660 1.00 0.00 C ATOM 44 C VAL A 6 16.770 -4.410 -3.660 1.00 0.00 C ATOM 45 O VAL A 6 16.560 -4.700 -4.840 1.00 0.00 O ATOM 46 CB VAL A 6 14.860 -5.390 -2.180 1.00 0.00 C ATOM 47 CG1 VAL A 6 14.590 -6.460 -3.230 1.00 0.00 C ATOM 48 CG2 VAL A 6 15.560 -6.000 -0.970 1.00 0.00 C ATOM 0 H VAL A 6 14.571 -3.364 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 6 16.106 -3.745 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 6 13.869 -5.017 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.039 -7.284 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.001 -6.033 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.536 -6.830 -3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.009 -6.879 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.574 -6.291 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 6 15.598 -5.267 -0.164 1.00 0.00 H new ATOM 50 N CYS A 7 17.940 -3.950 -3.230 1.00 0.00 N ATOM 51 CA CYS A 7 19.180 -4.150 -4.010 1.00 0.00 C ATOM 52 C CYS A 7 19.330 -5.620 -4.390 1.00 0.00 C ATOM 53 O CYS A 7 19.110 -6.500 -3.570 1.00 0.00 O ATOM 54 CB CYS A 7 20.380 -3.710 -3.180 1.00 0.00 C ATOM 55 SG CYS A 7 20.400 -1.890 -2.980 1.00 0.00 S ATOM 0 H CYS A 7 18.067 -3.440 -2.356 1.00 0.00 H new ATOM 0 HA CYS A 7 19.128 -3.553 -4.921 1.00 0.00 H new ATOM 0 HB2 CYS A 7 20.345 -4.188 -2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 7 21.301 -4.038 -3.662 1.00 0.00 H new ATOM 57 N LEU A 8 19.640 -5.850 -5.660 1.00 0.00 N ATOM 58 CA LEU A 8 19.770 -7.230 -6.150 1.00 0.00 C ATOM 59 C LEU A 8 20.860 -8.010 -5.390 1.00 0.00 C ATOM 60 O LEU A 8 20.650 -9.160 -5.030 1.00 0.00 O ATOM 61 CB LEU A 8 20.070 -7.280 -7.650 1.00 0.00 C ATOM 62 CG LEU A 8 19.290 -8.340 -8.450 1.00 0.00 C ATOM 63 CD1 LEU A 8 20.260 -8.830 -9.520 1.00 0.00 C ATOM 64 CD2 LEU A 8 18.750 -9.550 -7.680 1.00 0.00 C ATOM 0 H LEU A 8 19.804 -5.125 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 8 18.805 -7.703 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.858 -6.300 -8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.136 -7.462 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 8 18.385 -7.856 -8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.774 -9.590 -10.132 1.00 0.00 H new ATOM 0 HD12 LEU A 8 20.559 -7.993 -10.151 1.00 0.00 H new ATOM 0 HD13 LEU A 8 21.142 -9.258 -9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.223 -10.213 -8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 8 19.579 -10.088 -7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.063 -9.211 -6.905 1.00 0.00 H new ATOM 66 N SER A 9 21.890 -7.280 -4.960 1.00 0.00 N ATOM 67 CA SER A 9 22.970 -7.800 -4.100 1.00 0.00 C ATOM 68 C SER A 9 22.480 -8.230 -2.700 1.00 0.00 C ATOM 69 O SER A 9 22.990 -9.170 -2.110 1.00 0.00 O ATOM 70 CB SER A 9 24.070 -6.740 -3.970 1.00 0.00 C ATOM 71 OG SER A 9 25.160 -7.260 -3.200 1.00 0.00 O ATOM 0 H SER A 9 22.005 -6.295 -5.199 1.00 0.00 H new ATOM 0 HA SER A 9 23.359 -8.698 -4.579 1.00 0.00 H new ATOM 0 HB2 SER A 9 24.421 -6.444 -4.959 1.00 0.00 H new ATOM 0 HB3 SER A 9 23.670 -5.845 -3.493 1.00 0.00 H new ATOM 0 HG SER A 9 25.860 -6.578 -3.122 1.00 0.00 H new ATOM 74 N ALA A 10 21.420 -7.560 -2.240 1.00 0.00 N ATOM 75 CA ALA A 10 20.730 -7.890 -0.970 1.00 0.00 C ATOM 76 C ALA A 10 19.840 -9.130 -1.110 1.00 0.00 C ATOM 77 O ALA A 10 19.510 -9.790 -0.120 1.00 0.00 O ATOM 78 CB ALA A 10 19.900 -6.680 -0.530 1.00 0.00 C ATOM 0 H ALA A 10 21.007 -6.768 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 10 21.481 -8.123 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 10 19.387 -6.911 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 10 20.557 -5.823 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.164 -6.444 -1.299 1.00 0.00 H new ATOM 80 N LEU A 11 19.410 -9.410 -2.340 1.00 0.00 N ATOM 81 CA LEU A 11 18.610 -10.600 -2.670 1.00 0.00 C ATOM 82 C LEU A 11 19.460 -11.870 -2.900 1.00 0.00 C ATOM 83 O LEU A 11 20.670 -11.770 -3.100 1.00 0.00 O ATOM 84 CB LEU A 11 17.760 -10.320 -3.900 1.00 0.00 C ATOM 85 CG LEU A 11 16.460 -9.580 -3.570 1.00 0.00 C ATOM 86 CD1 LEU A 11 15.590 -9.740 -4.800 1.00 0.00 C ATOM 87 CD2 LEU A 11 15.660 -10.170 -2.400 1.00 0.00 C ATOM 0 H LEU A 11 19.606 -8.816 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 11 17.979 -10.802 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 11 18.339 -9.728 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.521 -11.263 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 11 16.719 -8.558 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.637 -9.235 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.093 -9.301 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.412 -10.799 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.758 -9.580 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.385 -11.199 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.269 -10.151 -1.496 1.00 0.00 H new ATOM 89 N PRO A 12 18.840 -13.070 -2.810 1.00 0.00 N ATOM 90 CA PRO A 12 19.550 -14.350 -3.020 1.00 0.00 C ATOM 91 C PRO A 12 20.040 -14.540 -4.470 1.00 0.00 C ATOM 92 O PRO A 12 19.560 -13.860 -5.370 1.00 0.00 O ATOM 93 CB PRO A 12 18.530 -15.410 -2.560 1.00 0.00 C ATOM 94 CG PRO A 12 17.170 -14.770 -2.760 1.00 0.00 C ATOM 95 CD PRO A 12 17.440 -13.310 -2.420 1.00 0.00 C ATOM 0 HA PRO A 12 20.481 -14.412 -2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.624 -16.325 -3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.688 -15.681 -1.516 1.00 0.00 H new ATOM 0 HG2 PRO A 12 16.812 -14.889 -3.783 1.00 0.00 H new ATOM 0 HG3 PRO A 12 16.416 -15.206 -2.105 1.00 0.00 H new ATOM 0 HD2 PRO A 12 16.763 -12.649 -2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 12 17.290 -13.120 -1.357 1.00 0.00 H new ATOM 96 N PRO A 13 20.930 -15.510 -4.730 1.00 0.00 N ATOM 97 CA PRO A 13 21.430 -15.790 -6.100 1.00 0.00 C ATOM 98 C PRO A 13 20.330 -16.350 -7.020 1.00 0.00 C ATOM 99 O PRO A 13 20.160 -15.910 -8.160 1.00 0.00 O ATOM 100 CB PRO A 13 22.590 -16.760 -5.910 1.00 0.00 C ATOM 101 CG PRO A 13 22.260 -17.510 -4.620 1.00 0.00 C ATOM 102 CD PRO A 13 21.530 -16.470 -3.770 1.00 0.00 C ATOM 0 HA PRO A 13 21.755 -14.880 -6.604 1.00 0.00 H new ATOM 0 HB2 PRO A 13 22.677 -17.444 -6.754 1.00 0.00 H new ATOM 0 HB3 PRO A 13 23.540 -16.231 -5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 13 21.633 -18.381 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 13 23.162 -17.870 -4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 13 20.762 -16.938 -3.154 1.00 0.00 H new ATOM 0 HD3 PRO A 13 22.219 -15.966 -3.092 1.00 0.00 H new ATOM 103 N GLU A 14 19.450 -17.150 -6.430 1.00 0.00 N ATOM 104 CA GLU A 14 18.310 -17.770 -7.140 1.00 0.00 C ATOM 105 C GLU A 14 17.160 -16.770 -7.400 1.00 0.00 C ATOM 106 O GLU A 14 16.300 -17.010 -8.240 1.00 0.00 O ATOM 107 CB GLU A 14 17.790 -18.970 -6.340 1.00 0.00 C ATOM 108 CG GLU A 14 18.860 -19.810 -5.630 1.00 0.00 C ATOM 109 CD GLU A 14 18.830 -21.270 -6.050 1.00 0.00 C ATOM 110 OE1 GLU A 14 19.300 -21.550 -7.170 1.00 0.00 O ATOM 111 OE2 GLU A 14 18.340 -22.100 -5.250 1.00 0.00 O ATOM 0 H GLU A 14 19.497 -17.395 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 14 18.674 -18.100 -8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 14 17.084 -18.607 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.233 -19.620 -7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 14 19.845 -19.394 -5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 14 18.713 -19.743 -4.552 1.00 0.00 H new ATOM 113 N ALA A 15 17.280 -15.580 -6.800 1.00 0.00 N ATOM 114 CA ALA A 15 16.370 -14.430 -7.050 1.00 0.00 C ATOM 115 C ALA A 15 16.540 -13.860 -8.460 1.00 0.00 C ATOM 116 O ALA A 15 15.570 -13.750 -9.210 1.00 0.00 O ATOM 117 CB ALA A 15 16.560 -13.310 -6.030 1.00 0.00 C ATOM 0 H ALA A 15 18.013 -15.375 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 15 15.360 -14.827 -6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.874 -12.493 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.356 -13.691 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.586 -12.945 -6.077 1.00 0.00 H new ATOM 119 N THR A 16 17.810 -13.730 -8.860 1.00 0.00 N ATOM 120 CA THR A 16 18.180 -13.300 -10.230 1.00 0.00 C ATOM 121 C THR A 16 17.710 -14.290 -11.290 1.00 0.00 C ATOM 122 O THR A 16 17.360 -13.900 -12.400 1.00 0.00 O ATOM 123 CB THR A 16 19.680 -12.950 -10.330 1.00 0.00 C ATOM 124 OG1 THR A 16 19.720 -11.580 -10.710 1.00 0.00 O ATOM 125 CG2 THR A 16 20.550 -13.770 -11.300 1.00 0.00 C ATOM 0 H THR A 16 18.610 -13.916 -8.256 1.00 0.00 H new ATOM 0 HA THR A 16 17.643 -12.376 -10.443 1.00 0.00 H new ATOM 0 HB THR A 16 20.120 -13.187 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 16 20.639 -11.332 -10.945 1.00 0.00 H new ATOM 0 HG21 THR A 16 21.578 -13.409 -11.261 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.523 -14.821 -11.013 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.166 -13.661 -12.314 1.00 0.00 H new ATOM 128 N ASP A 17 17.700 -15.570 -10.920 1.00 0.00 N ATOM 129 CA ASP A 17 17.290 -16.680 -11.800 1.00 0.00 C ATOM 130 C ASP A 17 15.940 -16.370 -12.450 1.00 0.00 C ATOM 131 O ASP A 17 15.860 -16.240 -13.660 1.00 0.00 O ATOM 132 CB ASP A 17 17.210 -17.990 -11.020 1.00 0.00 C ATOM 133 CG ASP A 17 17.270 -19.230 -11.900 1.00 0.00 C ATOM 134 OD1 ASP A 17 17.920 -19.160 -12.970 1.00 0.00 O ATOM 135 OD2 ASP A 17 16.690 -20.250 -11.460 1.00 0.00 O ATOM 0 H ASP A 17 17.979 -15.877 -9.988 1.00 0.00 H new ATOM 0 HA ASP A 17 18.042 -16.791 -12.582 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.029 -18.025 -10.301 1.00 0.00 H new ATOM 0 HB3 ASP A 17 16.282 -18.006 -10.448 1.00 0.00 H new ATOM 137 N THR A 18 14.990 -15.960 -11.610 1.00 0.00 N ATOM 138 CA THR A 18 13.680 -15.510 -12.080 1.00 0.00 C ATOM 139 C THR A 18 13.730 -14.320 -13.040 1.00 0.00 C ATOM 140 O THR A 18 13.060 -14.340 -14.070 1.00 0.00 O ATOM 141 CB THR A 18 12.830 -15.270 -10.840 1.00 0.00 C ATOM 142 OG1 THR A 18 12.450 -16.520 -10.290 1.00 0.00 O ATOM 143 CG2 THR A 18 11.620 -14.420 -11.110 1.00 0.00 C ATOM 0 H THR A 18 15.104 -15.930 -10.597 1.00 0.00 H new ATOM 0 HA THR A 18 13.226 -16.280 -12.704 1.00 0.00 H new ATOM 0 HB THR A 18 13.436 -14.712 -10.126 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.529 -16.466 -9.960 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.056 -14.286 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.936 -13.447 -11.487 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.990 -14.910 -11.852 1.00 0.00 H new ATOM 146 N LEU A 19 14.440 -13.260 -12.670 1.00 0.00 N ATOM 147 CA LEU A 19 14.640 -12.090 -13.540 1.00 0.00 C ATOM 148 C LEU A 19 15.160 -12.460 -14.940 1.00 0.00 C ATOM 149 O LEU A 19 14.620 -11.980 -15.940 1.00 0.00 O ATOM 150 CB LEU A 19 15.600 -11.090 -12.870 1.00 0.00 C ATOM 151 CG LEU A 19 15.200 -10.760 -11.420 1.00 0.00 C ATOM 152 CD1 LEU A 19 16.180 -9.720 -10.880 1.00 0.00 C ATOM 153 CD2 LEU A 19 13.770 -10.230 -11.310 1.00 0.00 C ATOM 0 H LEU A 19 14.896 -13.180 -11.761 1.00 0.00 H new ATOM 0 HA LEU A 19 13.661 -11.632 -13.678 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.610 -11.501 -12.879 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.625 -10.170 -13.454 1.00 0.00 H new ATOM 0 HG LEU A 19 15.238 -11.680 -10.836 1.00 0.00 H new ATOM 0 HD11 LEU A 19 15.916 -9.470 -9.852 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.192 -10.125 -10.907 1.00 0.00 H new ATOM 0 HD13 LEU A 19 16.133 -8.822 -11.495 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.541 -10.014 -10.266 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.674 -9.318 -11.899 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.074 -10.980 -11.686 1.00 0.00 H new ATOM 155 N ASN A 20 15.960 -13.520 -14.980 1.00 0.00 N ATOM 156 CA ASN A 20 16.450 -14.140 -16.220 1.00 0.00 C ATOM 157 C ASN A 20 15.350 -14.890 -16.950 1.00 0.00 C ATOM 158 O ASN A 20 15.130 -14.680 -18.130 1.00 0.00 O ATOM 159 CB ASN A 20 17.560 -15.140 -15.890 1.00 0.00 C ATOM 160 CG ASN A 20 18.860 -14.770 -16.570 1.00 0.00 C ATOM 161 OD1 ASN A 20 18.940 -14.390 -17.730 1.00 0.00 O ATOM 162 ND2 ASN A 20 19.930 -14.930 -15.830 1.00 0.00 N ATOM 0 H ASN A 20 16.297 -13.987 -14.138 1.00 0.00 H new ATOM 0 HA ASN A 20 16.817 -13.337 -16.859 1.00 0.00 H new ATOM 0 HB2 ASN A 20 17.710 -15.176 -14.811 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.256 -16.139 -16.203 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.853 -14.737 -16.219 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.840 -15.248 -14.865 1.00 0.00 H new ATOM 166 N LEU A 21 14.570 -15.640 -16.190 1.00 0.00 N ATOM 167 CA LEU A 21 13.410 -16.370 -16.690 1.00 0.00 C ATOM 168 C LEU A 21 12.300 -15.420 -17.200 1.00 0.00 C ATOM 169 O LEU A 21 11.630 -15.730 -18.160 1.00 0.00 O ATOM 170 CB LEU A 21 12.890 -17.200 -15.520 1.00 0.00 C ATOM 171 CG LEU A 21 13.820 -18.210 -14.850 1.00 0.00 C ATOM 172 CD1 LEU A 21 13.120 -18.740 -13.590 1.00 0.00 C ATOM 173 CD2 LEU A 21 14.220 -19.360 -15.760 1.00 0.00 C ATOM 0 H LEU A 21 14.725 -15.763 -15.189 1.00 0.00 H new ATOM 0 HA LEU A 21 13.696 -16.991 -17.539 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.551 -16.506 -14.751 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.012 -17.744 -15.868 1.00 0.00 H new ATOM 0 HG LEU A 21 14.749 -17.699 -14.599 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.765 -19.464 -13.093 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.915 -17.912 -12.912 1.00 0.00 H new ATOM 0 HD13 LEU A 21 12.183 -19.221 -13.870 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.880 -20.039 -15.220 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.328 -19.899 -16.079 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.739 -18.968 -16.635 1.00 0.00 H new ATOM 175 N ILE A 22 12.110 -14.250 -16.590 1.00 0.00 N ATOM 176 CA ILE A 22 11.210 -13.190 -17.110 1.00 0.00 C ATOM 177 C ILE A 22 11.750 -12.580 -18.410 1.00 0.00 C ATOM 178 O ILE A 22 10.990 -12.330 -19.350 1.00 0.00 O ATOM 179 CB ILE A 22 11.010 -12.120 -16.020 1.00 0.00 C ATOM 180 CG1 ILE A 22 10.110 -12.740 -14.960 1.00 0.00 C ATOM 181 CG2 ILE A 22 10.380 -10.810 -16.510 1.00 0.00 C ATOM 182 CD1 ILE A 22 10.610 -12.390 -13.570 1.00 0.00 C ATOM 0 H ILE A 22 12.573 -13.998 -15.717 1.00 0.00 H new ATOM 0 HA ILE A 22 10.244 -13.631 -17.355 1.00 0.00 H new ATOM 0 HB ILE A 22 11.995 -11.840 -15.646 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.088 -12.382 -15.087 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.086 -13.823 -15.083 1.00 0.00 H new ATOM 0 HG21 ILE A 22 10.279 -10.119 -15.673 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.017 -10.364 -17.274 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.396 -11.015 -16.932 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.956 -12.841 -12.824 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.623 -12.770 -13.441 1.00 0.00 H new ATOM 0 HD13 ILE A 22 10.610 -11.307 -13.445 1.00 0.00 H new ATOM 184 N ALA A 23 13.060 -12.340 -18.420 1.00 0.00 N ATOM 185 CA ALA A 23 13.760 -11.760 -19.570 1.00 0.00 C ATOM 186 C ALA A 23 13.840 -12.730 -20.770 1.00 0.00 C ATOM 187 O ALA A 23 13.360 -12.410 -21.860 1.00 0.00 O ATOM 188 CB ALA A 23 15.160 -11.310 -19.150 1.00 0.00 C ATOM 0 H ALA A 23 13.670 -12.542 -17.628 1.00 0.00 H new ATOM 0 HA ALA A 23 13.182 -10.899 -19.904 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.677 -10.880 -20.008 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.080 -10.562 -18.362 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.722 -12.168 -18.781 1.00 0.00 H new ATOM 190 N SER A 24 14.240 -13.970 -20.480 1.00 0.00 N ATOM 191 CA SER A 24 14.300 -15.080 -21.450 1.00 0.00 C ATOM 192 C SER A 24 12.970 -15.820 -21.630 1.00 0.00 C ATOM 193 O SER A 24 12.910 -16.830 -22.330 1.00 0.00 O ATOM 194 CB SER A 24 15.380 -16.090 -21.050 1.00 0.00 C ATOM 195 OG SER A 24 16.660 -15.670 -21.520 1.00 0.00 O ATOM 0 H SER A 24 14.539 -14.243 -19.544 1.00 0.00 H new ATOM 0 HA SER A 24 14.543 -14.615 -22.406 1.00 0.00 H new ATOM 0 HB2 SER A 24 15.402 -16.196 -19.965 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.139 -17.070 -21.462 1.00 0.00 H new ATOM 0 HG SER A 24 17.338 -16.326 -21.254 1.00 0.00 H new ATOM 198 N ASP A 25 11.910 -15.310 -21.000 1.00 0.00 N ATOM 199 CA ASP A 25 10.550 -15.910 -21.000 1.00 0.00 C ATOM 200 C ASP A 25 10.590 -17.440 -20.760 1.00 0.00 C ATOM 201 O ASP A 25 9.840 -18.220 -21.350 1.00 0.00 O ATOM 202 CB ASP A 25 9.840 -15.510 -22.290 1.00 0.00 C ATOM 203 CG ASP A 25 8.400 -15.090 -22.010 1.00 0.00 C ATOM 204 OD1 ASP A 25 7.580 -15.990 -21.730 1.00 0.00 O ATOM 205 OD2 ASP A 25 8.140 -13.870 -22.080 1.00 0.00 O ATOM 0 H ASP A 25 11.962 -14.447 -20.459 1.00 0.00 H new ATOM 0 HA ASP A 25 9.973 -15.519 -20.162 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.377 -14.689 -22.766 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.850 -16.346 -22.990 1.00 0.00 H new ATOM 207 N GLY A 26 11.480 -17.820 -19.850 1.00 0.00 N ATOM 208 CA GLY A 26 11.810 -19.200 -19.510 1.00 0.00 C ATOM 209 C GLY A 26 13.160 -19.690 -20.070 1.00 0.00 C ATOM 210 O GLY A 26 14.030 -18.880 -20.380 1.00 0.00 O ATOM 0 H GLY A 26 12.015 -17.144 -19.305 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.823 -19.301 -18.425 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.019 -19.852 -19.881 1.00 0.00 H new ATOM 212 N PRO A 27 13.360 -21.020 -20.070 1.00 0.00 N ATOM 213 CA PRO A 27 12.410 -22.020 -19.520 1.00 0.00 C ATOM 214 C PRO A 27 12.430 -22.010 -18.000 1.00 0.00 C ATOM 215 O PRO A 27 13.440 -21.780 -17.350 1.00 0.00 O ATOM 216 CB PRO A 27 12.870 -23.370 -20.070 1.00 0.00 C ATOM 217 CG PRO A 27 14.370 -23.170 -20.290 1.00 0.00 C ATOM 218 CD PRO A 27 14.530 -21.690 -20.660 1.00 0.00 C ATOM 0 HA PRO A 27 11.382 -21.801 -19.811 1.00 0.00 H new ATOM 0 HB2 PRO A 27 12.671 -24.179 -19.367 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.358 -23.621 -20.999 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.936 -23.414 -19.391 1.00 0.00 H new ATOM 0 HG3 PRO A 27 14.741 -23.817 -21.085 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.460 -21.282 -20.263 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.559 -21.555 -21.741 1.00 0.00 H new ATOM 219 N PHE A 28 11.210 -22.050 -17.500 1.00 0.00 N ATOM 220 CA PHE A 28 10.920 -21.980 -16.060 1.00 0.00 C ATOM 221 C PHE A 28 11.010 -23.360 -15.390 1.00 0.00 C ATOM 222 O PHE A 28 10.870 -24.370 -16.070 1.00 0.00 O ATOM 223 CB PHE A 28 9.530 -21.380 -15.920 1.00 0.00 C ATOM 224 CG PHE A 28 9.480 -19.910 -16.320 1.00 0.00 C ATOM 225 CD1 PHE A 28 9.990 -18.930 -15.440 1.00 0.00 C ATOM 226 CD2 PHE A 28 8.800 -19.530 -17.500 1.00 0.00 C ATOM 227 CE1 PHE A 28 9.780 -17.560 -15.730 1.00 0.00 C ATOM 228 CE2 PHE A 28 8.630 -18.160 -17.800 1.00 0.00 C ATOM 229 CZ PHE A 28 9.140 -17.180 -16.930 1.00 0.00 C ATOM 0 H PHE A 28 10.375 -22.133 -18.080 1.00 0.00 H new ATOM 0 HA PHE A 28 11.660 -21.361 -15.553 1.00 0.00 H new ATOM 0 HB2 PHE A 28 8.831 -21.944 -16.538 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.197 -21.483 -14.887 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.535 -19.223 -14.555 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.412 -20.284 -18.169 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.110 -16.805 -15.032 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.108 -17.865 -18.698 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.042 -16.134 -17.180 1.00 0.00 H new ATOM 231 N PRO A 29 11.310 -23.400 -14.090 1.00 0.00 N ATOM 232 CA PRO A 29 11.420 -24.670 -13.350 1.00 0.00 C ATOM 233 C PRO A 29 10.070 -25.360 -13.120 1.00 0.00 C ATOM 234 O PRO A 29 9.830 -26.480 -13.560 1.00 0.00 O ATOM 235 CB PRO A 29 12.150 -24.300 -12.070 1.00 0.00 C ATOM 236 CG PRO A 29 11.840 -22.820 -11.850 1.00 0.00 C ATOM 237 CD PRO A 29 11.710 -22.240 -13.250 1.00 0.00 C ATOM 0 HA PRO A 29 11.967 -25.425 -13.915 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.805 -24.904 -11.231 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.223 -24.468 -12.165 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.920 -22.689 -11.280 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.635 -22.328 -11.290 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.963 -21.447 -13.285 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.651 -21.807 -13.591 1.00 0.00 H new ATOM 238 N TYR A 30 9.180 -24.640 -12.440 1.00 0.00 N ATOM 239 CA TYR A 30 7.820 -25.080 -12.080 1.00 0.00 C ATOM 240 C TYR A 30 6.770 -24.170 -12.730 1.00 0.00 C ATOM 241 O TYR A 30 7.130 -23.150 -13.290 1.00 0.00 O ATOM 242 CB TYR A 30 7.660 -25.090 -10.540 1.00 0.00 C ATOM 243 CG TYR A 30 8.530 -24.080 -9.780 1.00 0.00 C ATOM 244 CD1 TYR A 30 8.580 -22.720 -10.140 1.00 0.00 C ATOM 245 CD2 TYR A 30 9.370 -24.610 -8.770 1.00 0.00 C ATOM 246 CE1 TYR A 30 9.480 -21.860 -9.500 1.00 0.00 C ATOM 247 CE2 TYR A 30 10.280 -23.750 -8.120 1.00 0.00 C ATOM 248 CZ TYR A 30 10.320 -22.390 -8.500 1.00 0.00 C ATOM 249 OH TYR A 30 11.190 -21.560 -7.880 1.00 0.00 O ATOM 0 H TYR A 30 9.387 -23.698 -12.109 1.00 0.00 H new ATOM 0 HA TYR A 30 7.666 -26.092 -12.454 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.615 -24.897 -10.299 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.891 -26.090 -10.174 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.924 -22.340 -10.910 1.00 0.00 H new ATOM 0 HD2 TYR A 30 9.315 -25.655 -8.502 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.530 -20.815 -9.766 1.00 0.00 H new ATOM 0 HE2 TYR A 30 10.934 -24.124 -7.346 1.00 0.00 H new ATOM 0 HH TYR A 30 11.225 -20.706 -8.359 1.00 0.00 H new ATOM 252 N SER A 31 5.490 -24.450 -12.490 1.00 0.00 N ATOM 253 CA SER A 31 4.370 -23.600 -12.970 1.00 0.00 C ATOM 254 C SER A 31 4.280 -22.220 -12.310 1.00 0.00 C ATOM 255 O SER A 31 3.440 -21.400 -12.680 1.00 0.00 O ATOM 256 CB SER A 31 3.010 -24.280 -12.770 1.00 0.00 C ATOM 257 OG SER A 31 2.940 -25.470 -13.550 1.00 0.00 O ATOM 0 H SER A 31 5.187 -25.267 -11.960 1.00 0.00 H new ATOM 0 HA SER A 31 4.599 -23.463 -14.027 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.864 -24.517 -11.716 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.208 -23.600 -13.057 1.00 0.00 H new ATOM 0 HG SER A 31 2.069 -25.899 -13.415 1.00 0.00 H new ATOM 260 N GLN A 32 5.090 -22.000 -11.270 1.00 0.00 N ATOM 261 CA GLN A 32 5.140 -20.730 -10.510 1.00 0.00 C ATOM 262 C GLN A 32 5.830 -19.600 -11.270 1.00 0.00 C ATOM 263 O GLN A 32 6.820 -19.020 -10.840 1.00 0.00 O ATOM 264 CB GLN A 32 5.870 -20.960 -9.200 1.00 0.00 C ATOM 265 CG GLN A 32 4.920 -21.110 -8.030 1.00 0.00 C ATOM 266 CD GLN A 32 5.730 -21.580 -6.840 1.00 0.00 C ATOM 267 OE1 GLN A 32 6.700 -22.310 -6.960 1.00 0.00 O ATOM 268 NE2 GLN A 32 5.370 -21.130 -5.650 1.00 0.00 N ATOM 0 H GLN A 32 5.741 -22.703 -10.921 1.00 0.00 H new ATOM 0 HA GLN A 32 4.108 -20.421 -10.341 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.485 -21.856 -9.282 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.545 -20.125 -9.012 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.431 -20.161 -7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.133 -21.827 -8.265 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.557 -20.520 -5.560 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.905 -21.393 -4.822 1.00 0.00 H new ATOM 272 N ASP A 33 5.290 -19.410 -12.470 1.00 0.00 N ATOM 273 CA ASP A 33 5.740 -18.470 -13.500 1.00 0.00 C ATOM 274 C ASP A 33 5.000 -18.630 -14.840 1.00 0.00 C ATOM 275 O ASP A 33 4.850 -19.730 -15.370 1.00 0.00 O ATOM 276 CB ASP A 33 7.240 -18.620 -13.710 1.00 0.00 C ATOM 277 CG ASP A 33 7.710 -20.070 -13.610 1.00 0.00 C ATOM 278 OD1 ASP A 33 7.100 -20.880 -14.340 1.00 0.00 O ATOM 279 OD2 ASP A 33 8.660 -20.330 -12.830 1.00 0.00 O ATOM 0 H ASP A 33 4.473 -19.941 -12.772 1.00 0.00 H new ATOM 0 HA ASP A 33 5.506 -17.469 -13.138 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.506 -18.223 -14.690 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.768 -18.020 -12.969 1.00 0.00 H new ATOM 281 N GLY A 34 4.480 -17.500 -15.300 1.00 0.00 N ATOM 282 CA GLY A 34 3.720 -17.420 -16.570 1.00 0.00 C ATOM 283 C GLY A 34 2.240 -17.060 -16.350 1.00 0.00 C ATOM 284 O GLY A 34 1.540 -16.690 -17.300 1.00 0.00 O ATOM 0 H GLY A 34 4.565 -16.607 -14.815 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.180 -16.674 -17.218 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.785 -18.376 -17.089 1.00 0.00 H new ATOM 286 N VAL A 35 1.790 -17.170 -15.110 1.00 0.00 N ATOM 287 CA VAL A 35 0.420 -16.800 -14.720 1.00 0.00 C ATOM 288 C VAL A 35 0.380 -15.320 -14.280 1.00 0.00 C ATOM 289 O VAL A 35 1.370 -14.750 -13.830 1.00 0.00 O ATOM 290 CB VAL A 35 -0.240 -17.770 -13.690 1.00 0.00 C ATOM 291 CG1 VAL A 35 0.080 -19.230 -14.000 1.00 0.00 C ATOM 292 CG2 VAL A 35 0.050 -17.480 -12.220 1.00 0.00 C ATOM 0 H VAL A 35 2.358 -17.518 -14.337 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.207 -16.911 -15.604 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.306 -17.582 -13.820 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.398 -19.872 -13.260 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.292 -19.481 -14.993 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.159 -19.381 -13.968 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.459 -18.215 -11.597 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.124 -17.535 -12.043 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.308 -16.482 -11.969 1.00 0.00 H new ATOM 294 N VAL A 36 -0.780 -14.720 -14.500 1.00 0.00 N ATOM 295 CA VAL A 36 -1.060 -13.340 -14.060 1.00 0.00 C ATOM 296 C VAL A 36 -1.300 -13.300 -12.540 1.00 0.00 C ATOM 297 O VAL A 36 -1.700 -14.280 -11.920 1.00 0.00 O ATOM 298 CB VAL A 36 -2.220 -12.770 -14.910 1.00 0.00 C ATOM 299 CG1 VAL A 36 -2.930 -11.550 -14.310 1.00 0.00 C ATOM 300 CG2 VAL A 36 -1.700 -12.360 -16.290 1.00 0.00 C ATOM 0 H VAL A 36 -1.559 -15.165 -14.986 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.201 -12.691 -14.228 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.949 -13.579 -14.955 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.726 -11.226 -14.980 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.356 -11.816 -13.343 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.213 -10.739 -14.180 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.521 -11.959 -16.884 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.929 -11.598 -16.177 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.279 -13.230 -16.793 1.00 0.00 H new ATOM 302 N PHE A 37 -1.050 -12.120 -12.000 1.00 0.00 N ATOM 303 CA PHE A 37 -1.310 -11.840 -10.580 1.00 0.00 C ATOM 304 C PHE A 37 -2.160 -10.560 -10.450 1.00 0.00 C ATOM 305 O PHE A 37 -1.600 -9.480 -10.400 1.00 0.00 O ATOM 306 CB PHE A 37 0.050 -11.730 -9.880 1.00 0.00 C ATOM 307 CG PHE A 37 -0.060 -11.440 -8.380 1.00 0.00 C ATOM 308 CD1 PHE A 37 -0.640 -12.410 -7.520 1.00 0.00 C ATOM 309 CD2 PHE A 37 0.390 -10.200 -7.870 1.00 0.00 C ATOM 310 CE1 PHE A 37 -0.810 -12.110 -6.150 1.00 0.00 C ATOM 311 CE2 PHE A 37 0.260 -9.920 -6.490 1.00 0.00 C ATOM 312 CZ PHE A 37 -0.350 -10.880 -5.640 1.00 0.00 C ATOM 0 H PHE A 37 -0.665 -11.330 -12.518 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.883 -12.636 -10.105 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.600 -12.660 -10.023 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.631 -10.939 -10.354 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.948 -13.369 -7.910 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.831 -9.470 -8.532 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.291 -12.822 -5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.621 -8.985 -6.087 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.463 -10.664 -4.588 1.00 0.00 H new ATOM 314 N GLN A 38 -3.480 -10.670 -10.380 1.00 0.00 N ATOM 315 CA GLN A 38 -4.360 -9.470 -10.260 1.00 0.00 C ATOM 316 C GLN A 38 -4.270 -8.790 -8.870 1.00 0.00 C ATOM 317 O GLN A 38 -5.260 -8.500 -8.210 1.00 0.00 O ATOM 318 CB GLN A 38 -5.820 -9.820 -10.560 1.00 0.00 C ATOM 319 CG GLN A 38 -6.610 -8.530 -10.850 1.00 0.00 C ATOM 320 CD GLN A 38 -7.790 -8.240 -9.910 1.00 0.00 C ATOM 321 OE1 GLN A 38 -7.900 -8.680 -8.780 1.00 0.00 O ATOM 322 NE2 GLN A 38 -8.730 -7.470 -10.410 1.00 0.00 N ATOM 0 H GLN A 38 -3.980 -11.559 -10.402 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.994 -8.760 -11.002 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.875 -10.493 -11.416 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.260 -10.346 -9.713 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.920 -7.687 -10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.988 -8.580 -11.871 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.638 -7.102 -11.357 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.552 -7.241 -9.851 1.00 0.00 H new ATOM 326 N ASN A 39 -3.040 -8.580 -8.420 1.00 0.00 N ATOM 327 CA ASN A 39 -2.700 -8.080 -7.070 1.00 0.00 C ATOM 328 C ASN A 39 -3.760 -8.500 -6.040 1.00 0.00 C ATOM 329 O ASN A 39 -4.480 -7.680 -5.470 1.00 0.00 O ATOM 330 CB ASN A 39 -2.470 -6.570 -7.160 1.00 0.00 C ATOM 331 CG ASN A 39 -2.170 -5.970 -5.790 1.00 0.00 C ATOM 332 OD1 ASN A 39 -1.630 -6.600 -4.880 1.00 0.00 O ATOM 333 ND2 ASN A 39 -2.490 -4.710 -5.650 1.00 0.00 N ATOM 0 H ASN A 39 -2.215 -8.755 -8.994 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.776 -8.531 -6.708 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.641 -6.367 -7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.353 -6.091 -7.583 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.293 -4.228 -4.773 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.937 -4.209 -6.418 1.00 0.00 H new ATOM 337 N ARG A 40 -3.970 -9.810 -5.970 1.00 0.00 N ATOM 338 CA ARG A 40 -5.030 -10.400 -5.110 1.00 0.00 C ATOM 339 C ARG A 40 -4.890 -9.960 -3.650 1.00 0.00 C ATOM 340 O ARG A 40 -5.860 -9.740 -2.940 1.00 0.00 O ATOM 341 CB ARG A 40 -5.050 -11.920 -5.140 1.00 0.00 C ATOM 342 CG ARG A 40 -5.320 -12.470 -6.530 1.00 0.00 C ATOM 343 CD ARG A 40 -4.010 -12.830 -7.230 1.00 0.00 C ATOM 344 NE ARG A 40 -4.030 -14.250 -7.620 1.00 0.00 N ATOM 345 CZ ARG A 40 -4.810 -14.790 -8.550 1.00 0.00 C ATOM 346 NH1 ARG A 40 -5.650 -14.030 -9.260 1.00 0.00 N ATOM 347 NH2 ARG A 40 -4.790 -16.090 -8.790 1.00 0.00 N ATOM 0 H ARG A 40 -3.428 -10.497 -6.493 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.964 -10.027 -5.530 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.093 -12.300 -4.782 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.815 -12.284 -4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.956 -13.353 -6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.863 -11.732 -7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.873 -12.203 -8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.167 -12.637 -6.567 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.388 -14.875 -7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.696 -13.025 -9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.244 -14.455 -9.972 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.168 -16.698 -8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.397 -16.485 -9.508 1.00 0.00 H new ATOM 354 N GLU A 41 -3.630 -9.720 -3.300 1.00 0.00 N ATOM 355 CA GLU A 41 -3.280 -9.190 -1.990 1.00 0.00 C ATOM 356 C GLU A 41 -3.560 -7.690 -1.810 1.00 0.00 C ATOM 357 O GLU A 41 -3.400 -7.190 -0.700 1.00 0.00 O ATOM 358 CB GLU A 41 -1.810 -9.480 -1.720 1.00 0.00 C ATOM 359 CG GLU A 41 -1.780 -10.400 -0.500 1.00 0.00 C ATOM 360 CD GLU A 41 -0.380 -10.410 0.080 1.00 0.00 C ATOM 361 OE1 GLU A 41 0.550 -10.650 -0.720 1.00 0.00 O ATOM 362 OE2 GLU A 41 -0.260 -10.030 1.270 1.00 0.00 O ATOM 0 H GLU A 41 -2.831 -9.886 -3.911 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.926 -9.692 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.342 -9.958 -2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.259 -8.559 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.494 -10.056 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.077 -11.410 -0.783 1.00 0.00 H new ATOM 364 N SER A 42 -3.940 -6.990 -2.880 1.00 0.00 N ATOM 365 CA SER A 42 -4.190 -5.530 -2.910 1.00 0.00 C ATOM 366 C SER A 42 -3.080 -4.730 -2.190 1.00 0.00 C ATOM 367 O SER A 42 -3.290 -3.690 -1.560 1.00 0.00 O ATOM 368 CB SER A 42 -5.590 -5.250 -2.370 1.00 0.00 C ATOM 369 OG SER A 42 -5.950 -3.880 -2.540 1.00 0.00 O ATOM 0 H SER A 42 -4.090 -7.431 -3.787 1.00 0.00 H new ATOM 0 HA SER A 42 -4.153 -5.180 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.313 -5.884 -2.883 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.632 -5.510 -1.312 1.00 0.00 H new ATOM 0 HG SER A 42 -5.204 -3.309 -2.260 1.00 0.00 H new ATOM 372 N VAL A 43 -1.860 -5.210 -2.370 1.00 0.00 N ATOM 373 CA VAL A 43 -0.670 -4.600 -1.740 1.00 0.00 C ATOM 374 C VAL A 43 0.210 -3.900 -2.790 1.00 0.00 C ATOM 375 O VAL A 43 1.040 -3.050 -2.490 1.00 0.00 O ATOM 376 CB VAL A 43 0.090 -5.650 -0.890 1.00 0.00 C ATOM 377 CG1 VAL A 43 1.420 -5.130 -0.330 1.00 0.00 C ATOM 378 CG2 VAL A 43 -0.730 -6.080 0.320 1.00 0.00 C ATOM 0 H VAL A 43 -1.653 -6.024 -2.948 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.987 -3.818 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 43 0.272 -6.476 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.900 -5.915 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.073 -4.840 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.233 -4.265 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.170 -6.817 0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.938 -5.212 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.670 -6.519 -0.015 1.00 0.00 H new ATOM 380 N LEU A 44 0.010 -4.300 -4.040 1.00 0.00 N ATOM 381 CA LEU A 44 0.870 -3.820 -5.130 1.00 0.00 C ATOM 382 C LEU A 44 0.220 -2.580 -5.780 1.00 0.00 C ATOM 383 O LEU A 44 -0.990 -2.390 -5.650 1.00 0.00 O ATOM 384 CB LEU A 44 1.110 -4.980 -6.110 1.00 0.00 C ATOM 385 CG LEU A 44 1.710 -6.280 -5.550 1.00 0.00 C ATOM 386 CD1 LEU A 44 2.940 -6.680 -6.340 1.00 0.00 C ATOM 387 CD2 LEU A 44 2.230 -6.190 -4.130 1.00 0.00 C ATOM 0 H LEU A 44 -0.726 -4.945 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 44 1.847 -3.501 -4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.157 -5.226 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.769 -4.620 -6.900 1.00 0.00 H new ATOM 0 HG LEU A 44 0.876 -6.979 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.352 -7.602 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.667 -6.837 -7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.687 -5.889 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.632 -7.157 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.017 -5.437 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.416 -5.911 -3.461 1.00 0.00 H new ATOM 389 N PRO A 45 1.010 -1.670 -6.370 1.00 0.00 N ATOM 390 CA PRO A 45 0.440 -0.490 -7.040 1.00 0.00 C ATOM 391 C PRO A 45 -0.310 -0.930 -8.310 1.00 0.00 C ATOM 392 O PRO A 45 -0.690 -2.100 -8.410 1.00 0.00 O ATOM 393 CB PRO A 45 1.660 0.400 -7.310 1.00 0.00 C ATOM 394 CG PRO A 45 2.810 -0.590 -7.480 1.00 0.00 C ATOM 395 CD PRO A 45 2.480 -1.700 -6.480 1.00 0.00 C ATOM 0 HA PRO A 45 -0.304 0.053 -6.456 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.521 1.007 -8.204 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.844 1.087 -6.484 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.863 -0.972 -8.500 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.773 -0.127 -7.262 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.832 -2.670 -6.832 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.954 -1.520 -5.515 1.00 0.00 H new ATOM 396 N THR A 46 -0.610 0.030 -9.170 1.00 0.00 N ATOM 397 CA THR A 46 -1.310 -0.160 -10.460 1.00 0.00 C ATOM 398 C THR A 46 -2.780 -0.590 -10.290 1.00 0.00 C ATOM 399 O THR A 46 -3.670 0.130 -10.720 1.00 0.00 O ATOM 400 CB THR A 46 -0.440 -1.050 -11.390 1.00 0.00 C ATOM 401 OG1 THR A 46 0.460 -0.210 -12.100 1.00 0.00 O ATOM 402 CG2 THR A 46 -1.150 -1.940 -12.400 1.00 0.00 C ATOM 0 H THR A 46 -0.369 1.006 -8.995 1.00 0.00 H new ATOM 0 HA THR A 46 -1.415 0.799 -10.968 1.00 0.00 H new ATOM 0 HB THR A 46 0.037 -1.752 -10.706 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.019 -0.756 -12.692 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.412 -2.499 -12.975 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.804 -2.636 -11.875 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.743 -1.323 -13.075 1.00 0.00 H new ATOM 405 N GLN A 47 -2.960 -1.820 -9.790 1.00 0.00 N ATOM 406 CA GLN A 47 -4.230 -2.510 -9.480 1.00 0.00 C ATOM 407 C GLN A 47 -4.860 -3.180 -10.710 1.00 0.00 C ATOM 408 O GLN A 47 -5.630 -4.130 -10.580 1.00 0.00 O ATOM 409 CB GLN A 47 -5.240 -1.550 -8.830 1.00 0.00 C ATOM 410 CG GLN A 47 -6.270 -2.300 -7.990 1.00 0.00 C ATOM 411 CD GLN A 47 -6.490 -1.570 -6.660 1.00 0.00 C ATOM 412 OE1 GLN A 47 -5.660 -0.830 -6.140 1.00 0.00 O ATOM 413 NE2 GLN A 47 -7.650 -1.770 -6.090 1.00 0.00 N ATOM 0 H GLN A 47 -2.158 -2.411 -9.572 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.979 -3.299 -8.771 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.710 -0.834 -8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.749 -0.978 -9.605 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.212 -2.374 -8.534 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.928 -3.318 -7.804 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.334 -2.386 -6.529 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.870 -1.310 -5.207 1.00 0.00 H new ATOM 417 N SER A 48 -4.500 -2.680 -11.880 1.00 0.00 N ATOM 418 CA SER A 48 -4.940 -3.220 -13.180 1.00 0.00 C ATOM 419 C SER A 48 -4.710 -4.740 -13.250 1.00 0.00 C ATOM 420 O SER A 48 -3.900 -5.340 -12.540 1.00 0.00 O ATOM 421 CB SER A 48 -4.240 -2.540 -14.360 1.00 0.00 C ATOM 422 OG SER A 48 -2.890 -3.020 -14.430 1.00 0.00 O ATOM 0 H SER A 48 -3.883 -1.873 -11.968 1.00 0.00 H new ATOM 0 HA SER A 48 -6.007 -3.011 -13.257 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.767 -2.757 -15.289 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.250 -1.457 -14.233 1.00 0.00 H new ATOM 0 HG SER A 48 -2.425 -2.582 -15.173 1.00 0.00 H new ATOM 425 N TYR A 49 -5.460 -5.330 -14.160 1.00 0.00 N ATOM 426 CA TYR A 49 -5.480 -6.790 -14.340 1.00 0.00 C ATOM 427 C TYR A 49 -4.670 -7.190 -15.570 1.00 0.00 C ATOM 428 O TYR A 49 -4.700 -6.510 -16.590 1.00 0.00 O ATOM 429 CB TYR A 49 -6.940 -7.230 -14.470 1.00 0.00 C ATOM 430 CG TYR A 49 -7.130 -8.750 -14.560 1.00 0.00 C ATOM 431 CD1 TYR A 49 -6.200 -9.650 -14.000 1.00 0.00 C ATOM 432 CD2 TYR A 49 -8.300 -9.230 -15.200 1.00 0.00 C ATOM 433 CE1 TYR A 49 -6.420 -11.030 -14.040 1.00 0.00 C ATOM 434 CE2 TYR A 49 -8.530 -10.620 -15.260 1.00 0.00 C ATOM 435 CZ TYR A 49 -7.590 -11.490 -14.670 1.00 0.00 C ATOM 436 OH TYR A 49 -7.790 -12.830 -14.720 1.00 0.00 O ATOM 0 H TYR A 49 -6.074 -4.824 -14.798 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.023 -7.284 -13.483 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.499 -6.855 -13.613 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.370 -6.768 -15.358 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.304 -9.267 -13.533 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.007 -8.540 -15.636 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.715 -11.720 -13.601 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.410 -11.011 -15.749 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.635 -13.018 -15.180 1.00 0.00 H new ATOM 439 N GLY A 50 -3.860 -8.230 -15.380 1.00 0.00 N ATOM 440 CA GLY A 50 -3.020 -8.780 -16.460 1.00 0.00 C ATOM 441 C GLY A 50 -1.640 -8.100 -16.560 1.00 0.00 C ATOM 442 O GLY A 50 -0.680 -8.710 -17.000 1.00 0.00 O ATOM 0 H GLY A 50 -3.763 -8.715 -14.488 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.881 -9.848 -16.295 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.542 -8.670 -17.410 1.00 0.00 H new ATOM 444 N TYR A 51 -1.570 -6.890 -16.020 1.00 0.00 N ATOM 445 CA TYR A 51 -0.350 -6.060 -15.980 1.00 0.00 C ATOM 446 C TYR A 51 0.720 -6.580 -15.010 1.00 0.00 C ATOM 447 O TYR A 51 1.780 -5.960 -14.840 1.00 0.00 O ATOM 448 CB TYR A 51 -0.790 -4.680 -15.520 1.00 0.00 C ATOM 449 CG TYR A 51 -0.150 -3.530 -16.290 1.00 0.00 C ATOM 450 CD1 TYR A 51 -0.600 -3.280 -17.610 1.00 0.00 C ATOM 451 CD2 TYR A 51 0.800 -2.700 -15.650 1.00 0.00 C ATOM 452 CE1 TYR A 51 -0.060 -2.180 -18.310 1.00 0.00 C ATOM 453 CE2 TYR A 51 1.330 -1.610 -16.350 1.00 0.00 C ATOM 454 CZ TYR A 51 0.920 -1.380 -17.680 1.00 0.00 C ATOM 455 OH TYR A 51 1.660 -0.540 -18.460 1.00 0.00 O ATOM 0 H TYR A 51 -2.374 -6.438 -15.584 1.00 0.00 H new ATOM 0 HA TYR A 51 0.107 -6.068 -16.970 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.873 -4.607 -15.614 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.554 -4.570 -14.462 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.340 -3.917 -18.071 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.112 -2.904 -14.636 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.391 -1.953 -19.313 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.045 -0.953 -15.877 1.00 0.00 H new ATOM 0 HH TYR A 51 2.296 -0.048 -17.899 1.00 0.00 H new ATOM 458 N TYR A 52 0.330 -7.590 -14.250 1.00 0.00 N ATOM 459 CA TYR A 52 1.150 -8.260 -13.240 1.00 0.00 C ATOM 460 C TYR A 52 1.290 -9.730 -13.600 1.00 0.00 C ATOM 461 O TYR A 52 0.330 -10.330 -14.100 1.00 0.00 O ATOM 462 CB TYR A 52 0.380 -8.230 -11.940 1.00 0.00 C ATOM 463 CG TYR A 52 0.570 -6.970 -11.120 1.00 0.00 C ATOM 464 CD1 TYR A 52 -0.160 -5.810 -11.420 1.00 0.00 C ATOM 465 CD2 TYR A 52 1.530 -7.040 -10.100 1.00 0.00 C ATOM 466 CE1 TYR A 52 0.100 -4.650 -10.660 1.00 0.00 C ATOM 467 CE2 TYR A 52 1.800 -5.880 -9.380 1.00 0.00 C ATOM 468 CZ TYR A 52 1.090 -4.700 -9.660 1.00 0.00 C ATOM 469 OH TYR A 52 1.380 -3.620 -8.900 1.00 0.00 O ATOM 0 H TYR A 52 -0.607 -7.987 -14.319 1.00 0.00 H new ATOM 0 HA TYR A 52 2.123 -7.773 -13.174 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.681 -8.348 -12.159 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.678 -9.088 -11.337 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.898 -5.805 -12.208 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.043 -7.964 -9.880 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.451 -3.739 -10.842 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.554 -5.887 -8.607 1.00 0.00 H new ATOM 0 HH TYR A 52 0.552 -3.249 -8.530 1.00 0.00 H new ATOM 472 N HIS A 53 2.290 -10.320 -12.960 1.00 0.00 N ATOM 473 CA HIS A 53 2.640 -11.730 -13.110 1.00 0.00 C ATOM 474 C HIS A 53 3.480 -12.210 -11.920 1.00 0.00 C ATOM 475 O HIS A 53 3.930 -11.410 -11.100 1.00 0.00 O ATOM 476 CB HIS A 53 3.420 -11.930 -14.420 1.00 0.00 C ATOM 477 CG HIS A 53 2.600 -11.790 -15.700 1.00 0.00 C ATOM 478 ND1 HIS A 53 2.570 -10.740 -16.510 1.00 0.00 N ATOM 479 CD2 HIS A 53 1.820 -12.730 -16.220 1.00 0.00 C ATOM 480 CE1 HIS A 53 1.780 -11.020 -17.540 1.00 0.00 C ATOM 481 NE2 HIS A 53 1.320 -12.250 -17.350 1.00 0.00 N ATOM 0 H HIS A 53 2.895 -9.823 -12.307 1.00 0.00 H new ATOM 0 HA HIS A 53 1.723 -12.318 -13.140 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.236 -11.208 -14.451 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.872 -12.922 -14.406 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.628 -13.706 -15.800 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.555 -10.371 -18.373 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.684 -12.747 -17.974 1.00 0.00 H new ATOM 485 N GLU A 54 3.600 -13.520 -11.800 1.00 0.00 N ATOM 486 CA GLU A 54 4.330 -14.180 -10.700 1.00 0.00 C ATOM 487 C GLU A 54 5.470 -15.030 -11.280 1.00 0.00 C ATOM 488 O GLU A 54 5.350 -15.540 -12.380 1.00 0.00 O ATOM 489 CB GLU A 54 3.340 -15.040 -9.890 1.00 0.00 C ATOM 490 CG GLU A 54 3.330 -16.560 -10.120 1.00 0.00 C ATOM 491 CD GLU A 54 3.070 -17.070 -11.550 1.00 0.00 C ATOM 492 OE1 GLU A 54 2.950 -16.280 -12.510 1.00 0.00 O ATOM 493 OE2 GLU A 54 2.930 -18.300 -11.670 1.00 0.00 O ATOM 0 H GLU A 54 3.192 -14.176 -12.466 1.00 0.00 H new ATOM 0 HA GLU A 54 4.770 -13.439 -10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.538 -14.866 -8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.336 -14.668 -10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.293 -16.954 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.571 -16.992 -9.468 1.00 0.00 H new ATOM 495 N TYR A 55 6.520 -15.210 -10.490 1.00 0.00 N ATOM 496 CA TYR A 55 7.700 -15.980 -10.920 1.00 0.00 C ATOM 497 C TYR A 55 8.540 -16.370 -9.690 1.00 0.00 C ATOM 498 O TYR A 55 9.600 -15.800 -9.430 1.00 0.00 O ATOM 499 CB TYR A 55 8.550 -15.190 -11.920 1.00 0.00 C ATOM 500 CG TYR A 55 7.870 -14.610 -13.160 1.00 0.00 C ATOM 501 CD1 TYR A 55 7.260 -13.340 -13.090 1.00 0.00 C ATOM 502 CD2 TYR A 55 7.740 -15.410 -14.310 1.00 0.00 C ATOM 503 CE1 TYR A 55 6.480 -12.930 -14.170 1.00 0.00 C ATOM 504 CE2 TYR A 55 6.950 -14.990 -15.390 1.00 0.00 C ATOM 505 CZ TYR A 55 6.320 -13.730 -15.310 1.00 0.00 C ATOM 506 OH TYR A 55 5.650 -13.240 -16.380 1.00 0.00 O ATOM 0 H TYR A 55 6.587 -14.836 -9.544 1.00 0.00 H new ATOM 0 HA TYR A 55 7.356 -16.883 -11.424 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.014 -14.365 -11.380 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.355 -15.842 -12.258 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.393 -12.705 -12.227 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.254 -16.358 -14.362 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.986 -11.971 -14.127 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.827 -15.616 -16.262 1.00 0.00 H new ATOM 0 HH TYR A 55 5.627 -13.916 -17.089 1.00 0.00 H new ATOM 509 N THR A 56 7.980 -17.230 -8.830 1.00 0.00 N ATOM 510 CA THR A 56 8.700 -17.720 -7.640 1.00 0.00 C ATOM 511 C THR A 56 10.180 -17.990 -7.910 1.00 0.00 C ATOM 512 O THR A 56 10.560 -18.500 -8.960 1.00 0.00 O ATOM 513 CB THR A 56 8.020 -18.960 -6.990 1.00 0.00 C ATOM 514 OG1 THR A 56 7.240 -18.520 -5.890 1.00 0.00 O ATOM 515 CG2 THR A 56 8.880 -20.100 -6.460 1.00 0.00 C ATOM 0 H THR A 56 7.036 -17.601 -8.932 1.00 0.00 H new ATOM 0 HA THR A 56 8.645 -16.904 -6.919 1.00 0.00 H new ATOM 0 HB THR A 56 7.480 -19.389 -7.834 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.830 -18.288 -5.143 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.238 -20.876 -6.043 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.473 -20.517 -7.274 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.545 -19.723 -5.683 1.00 0.00 H new ATOM 518 N VAL A 57 10.960 -17.520 -6.960 1.00 0.00 N ATOM 519 CA VAL A 57 12.410 -17.730 -7.040 1.00 0.00 C ATOM 520 C VAL A 57 12.770 -19.010 -6.310 1.00 0.00 C ATOM 521 O VAL A 57 12.410 -19.200 -5.140 1.00 0.00 O ATOM 522 CB VAL A 57 13.220 -16.550 -6.500 1.00 0.00 C ATOM 523 CG1 VAL A 57 12.940 -15.350 -7.370 1.00 0.00 C ATOM 524 CG2 VAL A 57 12.960 -16.160 -5.060 1.00 0.00 C ATOM 0 H VAL A 57 10.638 -17.003 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 57 12.673 -17.814 -8.095 1.00 0.00 H new ATOM 0 HB VAL A 57 14.259 -16.880 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 57 13.508 -14.495 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.234 -15.568 -8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.875 -15.119 -7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.592 -15.313 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.912 -15.883 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.188 -17.003 -4.408 1.00 0.00 H new ATOM 526 N ILE A 58 13.420 -19.890 -7.060 1.00 0.00 N ATOM 527 CA ILE A 58 13.980 -21.120 -6.490 1.00 0.00 C ATOM 528 C ILE A 58 14.850 -20.790 -5.270 1.00 0.00 C ATOM 529 O ILE A 58 15.300 -19.660 -5.120 1.00 0.00 O ATOM 530 CB ILE A 58 14.640 -21.940 -7.600 1.00 0.00 C ATOM 531 CG1 ILE A 58 13.860 -23.240 -7.690 1.00 0.00 C ATOM 532 CG2 ILE A 58 16.130 -22.290 -7.430 1.00 0.00 C ATOM 533 CD1 ILE A 58 13.810 -23.680 -9.140 1.00 0.00 C ATOM 0 H ILE A 58 13.575 -19.781 -8.062 1.00 0.00 H new ATOM 0 HA ILE A 58 13.204 -21.771 -6.088 1.00 0.00 H new ATOM 0 HB ILE A 58 14.614 -21.312 -8.491 1.00 0.00 H new ATOM 0 HG12 ILE A 58 14.334 -24.008 -7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.851 -23.102 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 58 16.467 -22.872 -8.288 1.00 0.00 H new ATOM 0 HG22 ILE A 58 16.714 -21.372 -7.362 1.00 0.00 H new ATOM 0 HG23 ILE A 58 16.265 -22.874 -6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.252 -24.613 -9.218 1.00 0.00 H new ATOM 0 HD12 ILE A 58 13.318 -22.912 -9.737 1.00 0.00 H new ATOM 0 HD13 ILE A 58 14.824 -23.832 -9.509 1.00 0.00 H new ATOM 535 N THR A 59 15.050 -21.800 -4.430 1.00 0.00 N ATOM 536 CA THR A 59 15.870 -21.680 -3.210 1.00 0.00 C ATOM 537 C THR A 59 16.460 -23.050 -2.810 1.00 0.00 C ATOM 538 O THR A 59 15.820 -24.080 -3.050 1.00 0.00 O ATOM 539 CB THR A 59 15.080 -20.930 -2.110 1.00 0.00 C ATOM 540 OG1 THR A 59 15.250 -19.530 -2.380 1.00 0.00 O ATOM 541 CG2 THR A 59 15.550 -21.160 -0.670 1.00 0.00 C ATOM 0 H THR A 59 14.652 -22.729 -4.568 1.00 0.00 H new ATOM 0 HA THR A 59 16.747 -21.059 -3.393 1.00 0.00 H new ATOM 0 HB THR A 59 14.057 -21.302 -2.155 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.292 -19.386 -3.349 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.924 -20.585 0.013 1.00 0.00 H new ATOM 0 HG22 THR A 59 15.474 -22.220 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.587 -20.838 -0.570 1.00 0.00 H new ATOM 544 N PRO A 60 17.710 -23.080 -2.330 1.00 0.00 N ATOM 545 CA PRO A 60 18.330 -24.330 -1.860 1.00 0.00 C ATOM 546 C PRO A 60 17.730 -24.760 -0.520 1.00 0.00 C ATOM 547 O PRO A 60 17.280 -23.920 0.260 1.00 0.00 O ATOM 548 CB PRO A 60 19.820 -24.020 -1.760 1.00 0.00 C ATOM 549 CG PRO A 60 19.880 -22.510 -1.490 1.00 0.00 C ATOM 550 CD PRO A 60 18.660 -21.940 -2.210 1.00 0.00 C ATOM 0 HA PRO A 60 18.152 -25.167 -2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 60 20.290 -24.586 -0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.342 -24.280 -2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 60 19.845 -22.297 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 60 20.804 -22.076 -1.872 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.219 -21.117 -1.647 1.00 0.00 H new ATOM 0 HD3 PRO A 60 18.929 -21.547 -3.190 1.00 0.00 H new ATOM 551 N GLY A 61 17.560 -26.070 -0.400 1.00 0.00 N ATOM 552 CA GLY A 61 16.890 -26.700 0.760 1.00 0.00 C ATOM 553 C GLY A 61 15.430 -26.240 0.930 1.00 0.00 C ATOM 554 O GLY A 61 14.860 -26.300 2.020 1.00 0.00 O ATOM 0 H GLY A 61 17.880 -26.739 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 61 16.913 -27.783 0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 61 17.448 -26.466 1.667 1.00 0.00 H new ATOM 556 N ALA A 62 14.830 -25.850 -0.200 1.00 0.00 N ATOM 557 CA ALA A 62 13.410 -25.440 -0.230 1.00 0.00 C ATOM 558 C ALA A 62 12.600 -26.740 -0.310 1.00 0.00 C ATOM 559 O ALA A 62 12.480 -27.350 -1.370 1.00 0.00 O ATOM 560 CB ALA A 62 13.140 -24.540 -1.440 1.00 0.00 C ATOM 0 H ALA A 62 15.298 -25.808 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 62 13.135 -24.863 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.090 -24.247 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 62 13.765 -23.649 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.372 -25.083 -2.356 1.00 0.00 H new ATOM 562 N ARG A 63 12.240 -27.240 0.870 1.00 0.00 N ATOM 563 CA ARG A 63 11.390 -28.440 1.010 1.00 0.00 C ATOM 564 C ARG A 63 10.210 -28.470 0.030 1.00 0.00 C ATOM 565 O ARG A 63 9.730 -29.530 -0.360 1.00 0.00 O ATOM 566 CB ARG A 63 10.830 -28.600 2.430 1.00 0.00 C ATOM 567 CG ARG A 63 11.860 -29.310 3.310 1.00 0.00 C ATOM 568 CD ARG A 63 12.270 -28.470 4.520 1.00 0.00 C ATOM 569 NE ARG A 63 13.460 -29.090 5.130 1.00 0.00 N ATOM 570 CZ ARG A 63 13.900 -28.890 6.370 1.00 0.00 C ATOM 571 NH1 ARG A 63 13.230 -28.140 7.240 1.00 0.00 N ATOM 572 NH2 ARG A 63 15.020 -29.470 6.780 1.00 0.00 N ATOM 0 H ARG A 63 12.524 -26.832 1.760 1.00 0.00 H new ATOM 0 HA ARG A 63 12.061 -29.267 0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.590 -27.623 2.849 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.903 -29.172 2.404 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.448 -30.259 3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.744 -29.542 2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.489 -27.446 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.455 -28.421 5.242 1.00 0.00 H new ATOM 0 HE ARG A 63 13.997 -29.733 4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.353 -27.699 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.593 -28.006 8.184 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.546 -30.070 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.356 -29.316 7.731 1.00 0.00 H new ATOM 579 N THR A 64 9.750 -27.270 -0.290 1.00 0.00 N ATOM 580 CA THR A 64 8.630 -27.030 -1.220 1.00 0.00 C ATOM 581 C THR A 64 9.070 -26.010 -2.290 1.00 0.00 C ATOM 582 O THR A 64 10.050 -26.210 -3.000 1.00 0.00 O ATOM 583 CB THR A 64 7.400 -26.600 -0.380 1.00 0.00 C ATOM 584 OG1 THR A 64 7.670 -25.370 0.310 1.00 0.00 O ATOM 585 CG2 THR A 64 6.960 -27.680 0.610 1.00 0.00 C ATOM 0 H THR A 64 10.145 -26.411 0.091 1.00 0.00 H new ATOM 0 HA THR A 64 8.341 -27.925 -1.771 1.00 0.00 H new ATOM 0 HB THR A 64 6.575 -26.449 -1.076 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.884 -25.110 0.835 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.095 -27.328 1.172 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.694 -28.586 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.777 -27.897 1.298 1.00 0.00 H new ATOM 588 N ARG A 65 8.450 -24.840 -2.250 1.00 0.00 N ATOM 589 CA ARG A 65 8.730 -23.680 -3.130 1.00 0.00 C ATOM 590 C ARG A 65 9.270 -22.480 -2.330 1.00 0.00 C ATOM 591 O ARG A 65 9.790 -21.530 -2.910 1.00 0.00 O ATOM 592 CB ARG A 65 7.430 -23.310 -3.830 1.00 0.00 C ATOM 593 CG ARG A 65 7.000 -24.460 -4.730 1.00 0.00 C ATOM 594 CD ARG A 65 5.520 -24.340 -5.050 1.00 0.00 C ATOM 595 NE ARG A 65 4.860 -25.610 -4.720 1.00 0.00 N ATOM 596 CZ ARG A 65 3.710 -26.040 -5.230 1.00 0.00 C ATOM 597 NH1 ARG A 65 3.060 -25.360 -6.170 1.00 0.00 N ATOM 598 NH2 ARG A 65 3.220 -27.190 -4.820 1.00 0.00 N ATOM 0 H ARG A 65 7.704 -24.650 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 65 9.499 -23.946 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.654 -23.099 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.566 -22.403 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.582 -24.450 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.199 -25.412 -4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.075 -23.524 -4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.380 -24.105 -6.105 1.00 0.00 H new ATOM 0 HE ARG A 65 5.324 -26.214 -4.041 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.442 -24.481 -6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.179 -25.717 -6.541 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.721 -27.738 -4.121 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.339 -27.534 -5.201 1.00 0.00 H new ATOM 605 N GLY A 66 9.150 -22.580 -1.010 1.00 0.00 N ATOM 606 CA GLY A 66 9.530 -21.520 -0.070 1.00 0.00 C ATOM 607 C GLY A 66 8.550 -20.350 -0.160 1.00 0.00 C ATOM 608 O GLY A 66 7.710 -20.230 -1.050 1.00 0.00 O ATOM 0 H GLY A 66 8.780 -23.412 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.543 -21.914 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.540 -21.174 -0.291 1.00 0.00 H new ATOM 610 N THR A 67 8.690 -19.500 0.840 1.00 0.00 N ATOM 611 CA THR A 67 7.920 -18.250 0.950 1.00 0.00 C ATOM 612 C THR A 67 8.400 -17.160 -0.030 1.00 0.00 C ATOM 613 O THR A 67 7.810 -16.100 -0.220 1.00 0.00 O ATOM 614 CB THR A 67 8.020 -17.800 2.410 1.00 0.00 C ATOM 615 OG1 THR A 67 9.390 -17.710 2.770 1.00 0.00 O ATOM 616 CG2 THR A 67 7.240 -18.700 3.370 1.00 0.00 C ATOM 0 H THR A 67 9.343 -19.648 1.610 1.00 0.00 H new ATOM 0 HA THR A 67 6.882 -18.425 0.669 1.00 0.00 H new ATOM 0 HB THR A 67 7.553 -16.819 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.465 -17.421 3.703 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.351 -18.328 4.389 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.185 -18.697 3.095 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.627 -19.717 3.311 1.00 0.00 H new ATOM 619 N ARG A 68 9.500 -17.460 -0.710 1.00 0.00 N ATOM 620 CA ARG A 68 10.080 -16.600 -1.750 1.00 0.00 C ATOM 621 C ARG A 68 9.160 -16.570 -2.970 1.00 0.00 C ATOM 622 O ARG A 68 8.570 -17.590 -3.350 1.00 0.00 O ATOM 623 CB ARG A 68 11.460 -17.140 -2.140 1.00 0.00 C ATOM 624 CG ARG A 68 12.430 -17.400 -0.990 1.00 0.00 C ATOM 625 CD ARG A 68 12.650 -16.170 -0.100 1.00 0.00 C ATOM 626 NE ARG A 68 14.090 -15.870 -0.010 1.00 0.00 N ATOM 627 CZ ARG A 68 14.670 -15.050 0.860 1.00 0.00 C ATOM 628 NH1 ARG A 68 13.970 -14.350 1.740 1.00 0.00 N ATOM 629 NH2 ARG A 68 15.980 -14.870 0.810 1.00 0.00 N ATOM 0 H ARG A 68 10.027 -18.320 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 68 10.186 -15.584 -1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.321 -18.072 -2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.924 -16.432 -2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.050 -18.219 -0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.388 -17.723 -1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.116 -15.313 -0.510 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.244 -16.353 0.895 1.00 0.00 H new ATOM 0 HE ARG A 68 14.701 -16.337 -0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.954 -14.431 1.764 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.447 -13.730 2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.536 -15.359 0.108 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.434 -14.243 1.474 1.00 0.00 H new ATOM 636 N ARG A 69 8.950 -15.360 -3.480 1.00 0.00 N ATOM 637 CA ARG A 69 8.100 -15.090 -4.650 1.00 0.00 C ATOM 638 C ARG A 69 8.460 -13.740 -5.260 1.00 0.00 C ATOM 639 O ARG A 69 8.720 -12.770 -4.540 1.00 0.00 O ATOM 640 CB ARG A 69 6.630 -15.060 -4.230 1.00 0.00 C ATOM 641 CG ARG A 69 5.740 -16.200 -4.700 1.00 0.00 C ATOM 642 CD ARG A 69 5.520 -16.100 -6.210 1.00 0.00 C ATOM 643 NE ARG A 69 4.080 -16.190 -6.480 1.00 0.00 N ATOM 644 CZ ARG A 69 3.360 -17.310 -6.570 1.00 0.00 C ATOM 645 NH1 ARG A 69 3.870 -18.520 -6.380 1.00 0.00 N ATOM 646 NH2 ARG A 69 2.070 -17.230 -6.810 1.00 0.00 N ATOM 0 H ARG A 69 9.372 -14.518 -3.088 1.00 0.00 H new ATOM 0 HA ARG A 69 8.261 -15.880 -5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.592 -15.031 -3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.197 -14.126 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.200 -17.157 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.782 -16.163 -4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.918 -15.159 -6.589 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.052 -16.901 -6.724 1.00 0.00 H new ATOM 0 HE ARG A 69 3.581 -15.310 -6.612 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.859 -18.627 -6.153 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.273 -19.343 -6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.628 -16.318 -6.926 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.511 -18.080 -6.881 1.00 0.00 H new ATOM 653 N ILE A 70 8.460 -13.730 -6.590 1.00 0.00 N ATOM 654 CA ILE A 70 8.700 -12.530 -7.390 1.00 0.00 C ATOM 655 C ILE A 70 7.420 -12.180 -8.150 1.00 0.00 C ATOM 656 O ILE A 70 6.780 -13.060 -8.730 1.00 0.00 O ATOM 657 CB ILE A 70 9.920 -12.720 -8.310 1.00 0.00 C ATOM 658 CG1 ILE A 70 11.160 -12.300 -7.490 1.00 0.00 C ATOM 659 CG2 ILE A 70 9.820 -12.020 -9.690 1.00 0.00 C ATOM 660 CD1 ILE A 70 12.520 -12.230 -8.210 1.00 0.00 C ATOM 0 H ILE A 70 8.291 -14.565 -7.151 1.00 0.00 H new ATOM 0 HA ILE A 70 8.946 -11.687 -6.745 1.00 0.00 H new ATOM 0 HB ILE A 70 9.987 -13.767 -8.605 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.959 -11.318 -7.062 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.260 -12.996 -6.657 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.727 -12.214 -10.263 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.958 -12.408 -10.233 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.704 -10.946 -9.546 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.290 -11.921 -7.503 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.769 -13.212 -8.613 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.464 -11.507 -9.024 1.00 0.00 H new ATOM 662 N ILE A 71 7.150 -10.890 -8.190 1.00 0.00 N ATOM 663 CA ILE A 71 5.980 -10.350 -8.890 1.00 0.00 C ATOM 664 C ILE A 71 6.440 -9.230 -9.810 1.00 0.00 C ATOM 665 O ILE A 71 6.930 -8.210 -9.360 1.00 0.00 O ATOM 666 CB ILE A 71 4.920 -9.840 -7.890 1.00 0.00 C ATOM 667 CG1 ILE A 71 4.640 -10.810 -6.710 1.00 0.00 C ATOM 668 CG2 ILE A 71 3.630 -9.470 -8.630 1.00 0.00 C ATOM 669 CD1 ILE A 71 4.180 -12.220 -7.100 1.00 0.00 C ATOM 0 H ILE A 71 7.729 -10.180 -7.742 1.00 0.00 H new ATOM 0 HA ILE A 71 5.512 -11.140 -9.478 1.00 0.00 H new ATOM 0 HB ILE A 71 5.340 -8.947 -7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.547 -10.897 -6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.879 -10.364 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.890 -9.112 -7.914 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.840 -8.686 -9.358 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.241 -10.349 -9.145 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.014 -12.811 -6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.252 -12.156 -7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.947 -12.697 -7.711 1.00 0.00 H new ATOM 671 N THR A 72 6.460 -9.490 -11.100 1.00 0.00 N ATOM 672 CA THR A 72 6.860 -8.460 -12.090 1.00 0.00 C ATOM 673 C THR A 72 5.630 -7.730 -12.650 1.00 0.00 C ATOM 674 O THR A 72 4.490 -8.160 -12.470 1.00 0.00 O ATOM 675 CB THR A 72 7.640 -9.100 -13.230 1.00 0.00 C ATOM 676 OG1 THR A 72 6.940 -10.290 -13.560 1.00 0.00 O ATOM 677 CG2 THR A 72 9.100 -9.380 -12.870 1.00 0.00 C ATOM 0 H THR A 72 6.210 -10.392 -11.505 1.00 0.00 H new ATOM 0 HA THR A 72 7.494 -7.733 -11.583 1.00 0.00 H new ATOM 0 HB THR A 72 7.698 -8.420 -14.080 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.533 -11.061 -13.444 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.604 -9.836 -13.722 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.597 -8.445 -12.613 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.141 -10.059 -12.018 1.00 0.00 H new ATOM 680 N GLY A 73 5.920 -6.580 -13.250 1.00 0.00 N ATOM 681 CA GLY A 73 4.910 -5.730 -13.890 1.00 0.00 C ATOM 682 C GLY A 73 5.060 -5.760 -15.420 1.00 0.00 C ATOM 683 O GLY A 73 5.980 -6.380 -15.960 1.00 0.00 O ATOM 0 H GLY A 73 6.867 -6.205 -13.309 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.913 -6.070 -13.611 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.010 -4.706 -13.530 1.00 0.00 H new ATOM 685 N GLU A 74 4.250 -4.940 -16.080 1.00 0.00 N ATOM 686 CA GLU A 74 4.330 -4.780 -17.550 1.00 0.00 C ATOM 687 C GLU A 74 5.580 -4.010 -18.000 1.00 0.00 C ATOM 688 O GLU A 74 5.910 -3.940 -19.180 1.00 0.00 O ATOM 689 CB GLU A 74 3.080 -4.050 -18.040 1.00 0.00 C ATOM 690 CG GLU A 74 2.850 -4.190 -19.550 1.00 0.00 C ATOM 691 CD GLU A 74 1.570 -4.980 -19.850 1.00 0.00 C ATOM 692 OE1 GLU A 74 1.440 -6.090 -19.290 1.00 0.00 O ATOM 693 OE2 GLU A 74 0.730 -4.430 -20.580 1.00 0.00 O ATOM 0 H GLU A 74 3.529 -4.373 -15.634 1.00 0.00 H new ATOM 0 HA GLU A 74 4.396 -5.778 -17.984 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.210 -4.437 -17.509 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.163 -2.993 -17.788 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.783 -3.201 -20.003 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.704 -4.692 -20.005 1.00 0.00 H new ATOM 695 N ALA A 75 6.210 -3.360 -17.030 1.00 0.00 N ATOM 696 CA ALA A 75 7.470 -2.630 -17.240 1.00 0.00 C ATOM 697 C ALA A 75 8.590 -3.410 -16.540 1.00 0.00 C ATOM 698 O ALA A 75 8.460 -3.850 -15.390 1.00 0.00 O ATOM 699 CB ALA A 75 7.350 -1.220 -16.660 1.00 0.00 C ATOM 0 H ALA A 75 5.867 -3.319 -16.070 1.00 0.00 H new ATOM 0 HA ALA A 75 7.692 -2.540 -18.303 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.285 -0.681 -16.817 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.538 -0.690 -17.157 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.142 -1.282 -15.592 1.00 0.00 H new ATOM 701 N THR A 76 9.640 -3.660 -17.310 1.00 0.00 N ATOM 702 CA THR A 76 10.860 -4.310 -16.810 1.00 0.00 C ATOM 703 C THR A 76 11.470 -3.420 -15.720 1.00 0.00 C ATOM 704 O THR A 76 11.290 -2.210 -15.720 1.00 0.00 O ATOM 705 CB THR A 76 11.810 -4.590 -17.990 1.00 0.00 C ATOM 706 OG1 THR A 76 11.180 -5.590 -18.790 1.00 0.00 O ATOM 707 CG2 THR A 76 13.220 -5.090 -17.620 1.00 0.00 C ATOM 0 H THR A 76 9.677 -3.421 -18.301 1.00 0.00 H new ATOM 0 HA THR A 76 10.648 -5.277 -16.355 1.00 0.00 H new ATOM 0 HB THR A 76 11.972 -3.637 -18.493 1.00 0.00 H new ATOM 0 HG1 THR A 76 11.750 -5.801 -19.559 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.799 -5.253 -18.529 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.719 -4.345 -17.001 1.00 0.00 H new ATOM 0 HG23 THR A 76 13.141 -6.026 -17.068 1.00 0.00 H new ATOM 710 N GLN A 77 12.160 -4.090 -14.800 1.00 0.00 N ATOM 711 CA GLN A 77 12.860 -3.510 -13.620 1.00 0.00 C ATOM 712 C GLN A 77 11.850 -3.120 -12.520 1.00 0.00 C ATOM 713 O GLN A 77 12.050 -2.210 -11.720 1.00 0.00 O ATOM 714 CB GLN A 77 13.780 -2.310 -13.960 1.00 0.00 C ATOM 715 CG GLN A 77 14.500 -2.500 -15.300 1.00 0.00 C ATOM 716 CD GLN A 77 15.880 -1.880 -15.430 1.00 0.00 C ATOM 717 OE1 GLN A 77 16.320 -1.010 -14.690 1.00 0.00 O ATOM 718 NE2 GLN A 77 16.580 -2.360 -16.430 1.00 0.00 N ATOM 0 H GLN A 77 12.261 -5.104 -14.845 1.00 0.00 H new ATOM 0 HA GLN A 77 13.516 -4.298 -13.251 1.00 0.00 H new ATOM 0 HB2 GLN A 77 13.187 -1.396 -13.994 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.517 -2.182 -13.167 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.589 -3.570 -15.489 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.867 -2.089 -16.087 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.184 -3.085 -17.028 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.520 -2.008 -16.609 1.00 0.00 H new ATOM 722 N GLU A 78 10.780 -3.910 -12.490 1.00 0.00 N ATOM 723 CA GLU A 78 9.680 -3.770 -11.540 1.00 0.00 C ATOM 724 C GLU A 78 9.180 -5.120 -11.010 1.00 0.00 C ATOM 725 O GLU A 78 8.030 -5.520 -11.170 1.00 0.00 O ATOM 726 CB GLU A 78 8.540 -2.900 -12.080 1.00 0.00 C ATOM 727 CG GLU A 78 8.880 -1.420 -11.940 1.00 0.00 C ATOM 728 CD GLU A 78 7.610 -0.570 -11.950 1.00 0.00 C ATOM 729 OE1 GLU A 78 6.880 -0.650 -10.940 1.00 0.00 O ATOM 730 OE2 GLU A 78 7.430 0.160 -12.950 1.00 0.00 O ATOM 0 H GLU A 78 10.651 -4.684 -13.141 1.00 0.00 H new ATOM 0 HA GLU A 78 10.093 -3.238 -10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.358 -3.139 -13.128 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.620 -3.120 -11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.427 -1.254 -11.012 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.535 -1.114 -12.756 1.00 0.00 H new ATOM 732 N ASP A 79 10.120 -5.800 -10.380 1.00 0.00 N ATOM 733 CA ASP A 79 9.830 -7.070 -9.700 1.00 0.00 C ATOM 734 C ASP A 79 9.730 -6.790 -8.200 1.00 0.00 C ATOM 735 O ASP A 79 10.720 -6.440 -7.590 1.00 0.00 O ATOM 736 CB ASP A 79 10.930 -8.090 -10.040 1.00 0.00 C ATOM 737 CG ASP A 79 11.230 -9.080 -8.930 1.00 0.00 C ATOM 738 OD1 ASP A 79 10.270 -9.490 -8.230 1.00 0.00 O ATOM 739 OD2 ASP A 79 12.430 -9.350 -8.740 1.00 0.00 O ATOM 0 H ASP A 79 11.094 -5.503 -10.319 1.00 0.00 H new ATOM 0 HA ASP A 79 8.884 -7.499 -10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.634 -8.642 -10.932 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.845 -7.551 -10.287 1.00 0.00 H new ATOM 741 N TYR A 80 8.590 -7.150 -7.640 1.00 0.00 N ATOM 742 CA TYR A 80 8.310 -7.080 -6.200 1.00 0.00 C ATOM 743 C TYR A 80 8.660 -8.430 -5.550 1.00 0.00 C ATOM 744 O TYR A 80 8.200 -9.490 -5.980 1.00 0.00 O ATOM 745 CB TYR A 80 6.810 -6.830 -6.000 1.00 0.00 C ATOM 746 CG TYR A 80 6.230 -5.720 -6.880 1.00 0.00 C ATOM 747 CD1 TYR A 80 6.290 -4.390 -6.420 1.00 0.00 C ATOM 748 CD2 TYR A 80 5.660 -6.030 -8.130 1.00 0.00 C ATOM 749 CE1 TYR A 80 5.780 -3.370 -7.240 1.00 0.00 C ATOM 750 CE2 TYR A 80 5.160 -5.020 -8.960 1.00 0.00 C ATOM 751 CZ TYR A 80 5.230 -3.690 -8.500 1.00 0.00 C ATOM 752 OH TYR A 80 4.810 -2.680 -9.310 1.00 0.00 O ATOM 0 H TYR A 80 7.805 -7.511 -8.182 1.00 0.00 H new ATOM 0 HA TYR A 80 8.898 -6.280 -5.751 1.00 0.00 H new ATOM 0 HB2 TYR A 80 6.270 -7.755 -6.201 1.00 0.00 H new ATOM 0 HB3 TYR A 80 6.633 -6.578 -4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 80 6.719 -4.159 -5.456 1.00 0.00 H new ATOM 0 HD2 TYR A 80 5.608 -7.060 -8.452 1.00 0.00 H new ATOM 0 HE1 TYR A 80 5.809 -2.343 -6.907 1.00 0.00 H new ATOM 0 HE2 TYR A 80 4.733 -5.253 -9.924 1.00 0.00 H new ATOM 0 HH TYR A 80 5.587 -2.235 -9.708 1.00 0.00 H new ATOM 755 N TYR A 81 9.480 -8.350 -4.520 1.00 0.00 N ATOM 756 CA TYR A 81 9.940 -9.540 -3.790 1.00 0.00 C ATOM 757 C TYR A 81 9.290 -9.590 -2.410 1.00 0.00 C ATOM 758 O TYR A 81 9.420 -8.660 -1.610 1.00 0.00 O ATOM 759 CB TYR A 81 11.460 -9.480 -3.600 1.00 0.00 C ATOM 760 CG TYR A 81 12.050 -10.850 -3.240 1.00 0.00 C ATOM 761 CD1 TYR A 81 12.190 -11.240 -1.890 1.00 0.00 C ATOM 762 CD2 TYR A 81 12.540 -11.630 -4.300 1.00 0.00 C ATOM 763 CE1 TYR A 81 12.860 -12.440 -1.600 1.00 0.00 C ATOM 764 CE2 TYR A 81 13.210 -12.830 -4.010 1.00 0.00 C ATOM 765 CZ TYR A 81 13.370 -13.210 -2.670 1.00 0.00 C ATOM 766 OH TYR A 81 14.000 -14.380 -2.410 1.00 0.00 O ATOM 0 H TYR A 81 9.850 -7.471 -4.159 1.00 0.00 H new ATOM 0 HA TYR A 81 9.666 -10.424 -4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 81 11.925 -9.114 -4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 81 11.699 -8.765 -2.813 1.00 0.00 H new ATOM 0 HD1 TYR A 81 11.790 -10.627 -1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 81 12.404 -11.312 -5.323 1.00 0.00 H new ATOM 0 HE1 TYR A 81 12.983 -12.768 -0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.596 -13.450 -4.806 1.00 0.00 H new ATOM 0 HH TYR A 81 14.670 -14.242 -1.708 1.00 0.00 H new ATOM 769 N THR A 82 8.590 -10.690 -2.200 1.00 0.00 N ATOM 770 CA THR A 82 7.990 -11.010 -0.880 1.00 0.00 C ATOM 771 C THR A 82 9.000 -11.600 0.110 1.00 0.00 C ATOM 772 O THR A 82 9.430 -10.950 1.060 1.00 0.00 O ATOM 773 CB THR A 82 6.640 -11.780 -0.950 1.00 0.00 C ATOM 774 OG1 THR A 82 6.440 -12.660 0.160 1.00 0.00 O ATOM 775 CG2 THR A 82 6.320 -12.440 -2.270 1.00 0.00 C ATOM 0 H THR A 82 8.412 -11.391 -2.919 1.00 0.00 H new ATOM 0 HA THR A 82 7.706 -10.044 -0.462 1.00 0.00 H new ATOM 0 HB THR A 82 5.901 -10.982 -0.874 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.414 -12.139 0.990 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.357 -12.945 -2.200 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.277 -11.684 -3.054 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.095 -13.168 -2.510 1.00 0.00 H new ATOM 778 N GLY A 83 9.390 -12.830 -0.180 1.00 0.00 N ATOM 779 CA GLY A 83 10.240 -13.630 0.720 1.00 0.00 C ATOM 780 C GLY A 83 9.540 -14.000 2.040 1.00 0.00 C ATOM 781 O GLY A 83 10.200 -14.360 3.010 1.00 0.00 O ATOM 0 H GLY A 83 9.133 -13.312 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 83 10.543 -14.543 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.150 -13.072 0.942 1.00 0.00 H new ATOM 783 N ASP A 84 8.210 -13.870 2.040 1.00 0.00 N ATOM 784 CA ASP A 84 7.330 -14.260 3.160 1.00 0.00 C ATOM 785 C ASP A 84 5.960 -14.780 2.680 1.00 0.00 C ATOM 786 O ASP A 84 4.980 -14.790 3.420 1.00 0.00 O ATOM 787 CB ASP A 84 7.210 -13.090 4.140 1.00 0.00 C ATOM 788 CG ASP A 84 6.430 -13.410 5.430 1.00 0.00 C ATOM 789 OD1 ASP A 84 6.330 -14.610 5.780 1.00 0.00 O ATOM 790 OD2 ASP A 84 6.000 -12.430 6.070 1.00 0.00 O ATOM 0 H ASP A 84 7.698 -13.483 1.247 1.00 0.00 H new ATOM 0 HA ASP A 84 7.782 -15.102 3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.212 -12.756 4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.722 -12.257 3.633 1.00 0.00 H new ATOM 792 N HIS A 85 5.920 -15.290 1.440 1.00 0.00 N ATOM 793 CA HIS A 85 4.760 -15.900 0.770 1.00 0.00 C ATOM 794 C HIS A 85 3.590 -14.940 0.740 1.00 0.00 C ATOM 795 O HIS A 85 2.770 -14.880 1.660 1.00 0.00 O ATOM 796 CB HIS A 85 4.390 -17.210 1.480 1.00 0.00 C ATOM 797 CG HIS A 85 3.430 -18.050 0.650 1.00 0.00 C ATOM 798 ND1 HIS A 85 2.110 -18.060 0.790 1.00 0.00 N ATOM 799 CD2 HIS A 85 3.770 -18.920 -0.290 1.00 0.00 C ATOM 800 CE1 HIS A 85 1.620 -18.940 -0.080 1.00 0.00 C ATOM 801 NE2 HIS A 85 2.650 -19.470 -0.730 1.00 0.00 N ATOM 0 H HIS A 85 6.746 -15.288 0.842 1.00 0.00 H new ATOM 0 HA HIS A 85 5.020 -16.125 -0.264 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.295 -17.783 1.680 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.935 -16.985 2.445 1.00 0.00 H new ATOM 0 HD2 HIS A 85 4.771 -19.139 -0.632 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.577 -19.179 -0.230 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.587 -20.187 -1.453 1.00 0.00 H new ATOM 805 N TYR A 86 3.650 -14.080 -0.270 1.00 0.00 N ATOM 806 CA TYR A 86 2.650 -13.000 -0.420 1.00 0.00 C ATOM 807 C TYR A 86 2.360 -12.230 0.880 1.00 0.00 C ATOM 808 O TYR A 86 1.270 -12.270 1.430 1.00 0.00 O ATOM 809 CB TYR A 86 1.340 -13.620 -0.960 1.00 0.00 C ATOM 810 CG TYR A 86 1.410 -13.990 -2.430 1.00 0.00 C ATOM 811 CD1 TYR A 86 1.970 -13.070 -3.340 1.00 0.00 C ATOM 812 CD2 TYR A 86 0.810 -15.200 -2.850 1.00 0.00 C ATOM 813 CE1 TYR A 86 1.940 -13.370 -4.710 1.00 0.00 C ATOM 814 CE2 TYR A 86 0.770 -15.490 -4.230 1.00 0.00 C ATOM 815 CZ TYR A 86 1.320 -14.560 -5.140 1.00 0.00 C ATOM 816 OH TYR A 86 1.090 -14.690 -6.470 1.00 0.00 O ATOM 0 H TYR A 86 4.367 -14.098 -0.995 1.00 0.00 H new ATOM 0 HA TYR A 86 3.067 -12.269 -1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.102 -14.511 -0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 86 0.523 -12.914 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.414 -12.151 -2.988 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.391 -15.887 -2.130 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.387 -12.697 -5.427 1.00 0.00 H new ATOM 0 HE2 TYR A 86 0.326 -16.408 -4.585 1.00 0.00 H new ATOM 0 HH TYR A 86 0.397 -14.054 -6.746 1.00 0.00 H new ATOM 819 N ALA A 87 3.440 -11.740 1.480 1.00 0.00 N ATOM 820 CA ALA A 87 3.300 -10.970 2.730 1.00 0.00 C ATOM 821 C ALA A 87 3.910 -9.570 2.670 1.00 0.00 C ATOM 822 O ALA A 87 3.380 -8.630 3.260 1.00 0.00 O ATOM 823 CB ALA A 87 3.860 -11.780 3.900 1.00 0.00 C ATOM 0 H ALA A 87 4.396 -11.852 1.142 1.00 0.00 H new ATOM 0 HA ALA A 87 2.234 -10.802 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.755 -11.208 4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.311 -12.717 3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.914 -11.993 3.723 1.00 0.00 H new ATOM 825 N THR A 88 5.010 -9.460 1.940 1.00 0.00 N ATOM 826 CA THR A 88 5.760 -8.200 1.740 1.00 0.00 C ATOM 827 C THR A 88 6.120 -8.080 0.260 1.00 0.00 C ATOM 828 O THR A 88 5.820 -8.990 -0.510 1.00 0.00 O ATOM 829 CB THR A 88 7.030 -8.240 2.600 1.00 0.00 C ATOM 830 OG1 THR A 88 7.610 -9.530 2.430 1.00 0.00 O ATOM 831 CG2 THR A 88 6.720 -7.980 4.070 1.00 0.00 C ATOM 0 H THR A 88 5.426 -10.254 1.454 1.00 0.00 H new ATOM 0 HA THR A 88 5.160 -7.339 2.034 1.00 0.00 H new ATOM 0 HB THR A 88 7.720 -7.456 2.286 1.00 0.00 H new ATOM 0 HG1 THR A 88 8.283 -9.495 1.719 1.00 0.00 H new ATOM 0 HG21 THR A 88 7.643 -8.016 4.648 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.263 -6.996 4.177 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.032 -8.742 4.437 1.00 0.00 H new ATOM 834 N PHE A 89 6.580 -6.910 -0.170 1.00 0.00 N ATOM 835 CA PHE A 89 6.850 -6.610 -1.590 1.00 0.00 C ATOM 836 C PHE A 89 7.810 -5.430 -1.670 1.00 0.00 C ATOM 837 O PHE A 89 7.520 -4.330 -1.190 1.00 0.00 O ATOM 838 CB PHE A 89 5.570 -6.260 -2.360 1.00 0.00 C ATOM 839 CG PHE A 89 4.570 -7.410 -2.390 1.00 0.00 C ATOM 840 CD1 PHE A 89 4.680 -8.430 -3.380 1.00 0.00 C ATOM 841 CD2 PHE A 89 3.550 -7.470 -1.410 1.00 0.00 C ATOM 842 CE1 PHE A 89 3.750 -9.490 -3.380 1.00 0.00 C ATOM 843 CE2 PHE A 89 2.640 -8.540 -1.390 1.00 0.00 C ATOM 844 CZ PHE A 89 2.750 -9.540 -2.380 1.00 0.00 C ATOM 0 H PHE A 89 6.781 -6.130 0.455 1.00 0.00 H new ATOM 0 HA PHE A 89 7.282 -7.502 -2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.102 -5.389 -1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 89 5.830 -5.983 -3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.465 -8.391 -4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.471 -6.686 -0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.801 -10.258 -4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.872 -8.596 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.053 -10.365 -2.374 1.00 0.00 H new ATOM 846 N SER A 90 8.970 -5.750 -2.210 1.00 0.00 N ATOM 847 CA SER A 90 10.040 -4.750 -2.370 1.00 0.00 C ATOM 848 C SER A 90 10.640 -4.900 -3.760 1.00 0.00 C ATOM 849 O SER A 90 11.100 -5.990 -4.110 1.00 0.00 O ATOM 850 CB SER A 90 11.150 -4.950 -1.330 1.00 0.00 C ATOM 851 OG SER A 90 10.590 -5.220 -0.040 1.00 0.00 O ATOM 0 H SER A 90 9.207 -6.683 -2.547 1.00 0.00 H new ATOM 0 HA SER A 90 9.612 -3.757 -2.231 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.795 -5.775 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.775 -4.058 -1.282 1.00 0.00 H new ATOM 0 HG SER A 90 11.312 -5.346 0.610 1.00 0.00 H new ATOM 854 N LEU A 91 10.390 -3.900 -4.590 1.00 0.00 N ATOM 855 CA LEU A 91 10.940 -3.820 -5.970 1.00 0.00 C ATOM 856 C LEU A 91 12.410 -4.250 -6.040 1.00 0.00 C ATOM 857 O LEU A 91 13.110 -4.240 -5.050 1.00 0.00 O ATOM 858 CB LEU A 91 10.800 -2.420 -6.570 1.00 0.00 C ATOM 859 CG LEU A 91 9.400 -2.150 -7.130 1.00 0.00 C ATOM 860 CD1 LEU A 91 9.360 -0.780 -7.810 1.00 0.00 C ATOM 861 CD2 LEU A 91 9.030 -3.200 -8.170 1.00 0.00 C ATOM 0 H LEU A 91 9.798 -3.107 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 91 10.343 -4.517 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.030 -1.678 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.535 -2.296 -7.366 1.00 0.00 H new ATOM 0 HG LEU A 91 8.696 -2.183 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.360 -0.599 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.610 -0.006 -7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.082 -0.758 -8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.032 -2.993 -8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 91 9.750 -3.171 -8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.043 -4.188 -7.710 1.00 0.00 H new ATOM 863 N ILE A 92 12.890 -4.610 -7.220 1.00 0.00 N ATOM 864 CA ILE A 92 14.290 -5.050 -7.380 1.00 0.00 C ATOM 865 C ILE A 92 15.070 -4.000 -8.170 1.00 0.00 C ATOM 866 O ILE A 92 14.690 -3.620 -9.270 1.00 0.00 O ATOM 867 CB ILE A 92 14.320 -6.480 -7.960 1.00 0.00 C ATOM 868 CG1 ILE A 92 14.260 -7.520 -6.850 1.00 0.00 C ATOM 869 CG2 ILE A 92 15.590 -6.810 -8.760 1.00 0.00 C ATOM 870 CD1 ILE A 92 12.930 -7.640 -6.120 1.00 0.00 C ATOM 0 H ILE A 92 12.345 -4.611 -8.082 1.00 0.00 H new ATOM 0 HA ILE A 92 14.802 -5.122 -6.420 1.00 0.00 H new ATOM 0 HB ILE A 92 13.453 -6.512 -8.620 1.00 0.00 H new ATOM 0 HG12 ILE A 92 14.507 -8.492 -7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 92 15.034 -7.287 -6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 92 15.530 -7.833 -9.132 1.00 0.00 H new ATOM 0 HG22 ILE A 92 15.679 -6.123 -9.601 1.00 0.00 H new ATOM 0 HG23 ILE A 92 16.463 -6.709 -8.115 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.005 -8.410 -5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.683 -6.686 -5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.148 -7.910 -6.830 1.00 0.00 H new ATOM 872 N ASP A 93 16.210 -3.640 -7.580 1.00 0.00 N ATOM 873 CA ASP A 93 17.140 -2.700 -8.230 1.00 0.00 C ATOM 874 C ASP A 93 18.390 -3.460 -8.680 1.00 0.00 C ATOM 875 O ASP A 93 19.340 -3.630 -7.920 1.00 0.00 O ATOM 876 CB ASP A 93 17.470 -1.550 -7.280 1.00 0.00 C ATOM 877 CG ASP A 93 17.160 -0.170 -7.860 1.00 0.00 C ATOM 878 OD1 ASP A 93 16.470 -0.110 -8.910 1.00 0.00 O ATOM 879 OD2 ASP A 93 17.650 0.810 -7.260 1.00 0.00 O ATOM 0 H ASP A 93 16.514 -3.976 -6.666 1.00 0.00 H new ATOM 0 HA ASP A 93 16.678 -2.261 -9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 93 16.908 -1.681 -6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 93 18.527 -1.597 -7.020 1.00 0.00 H new ATOM 881 N GLN A 94 18.330 -3.920 -9.930 1.00 0.00 N ATOM 882 CA GLN A 94 19.450 -4.650 -10.570 1.00 0.00 C ATOM 883 C GLN A 94 20.720 -3.780 -10.630 1.00 0.00 C ATOM 884 O GLN A 94 21.820 -4.270 -10.380 1.00 0.00 O ATOM 885 CB GLN A 94 19.120 -5.120 -11.980 1.00 0.00 C ATOM 886 CG GLN A 94 17.780 -5.850 -12.080 1.00 0.00 C ATOM 887 CD GLN A 94 16.860 -5.040 -12.990 1.00 0.00 C ATOM 888 OE1 GLN A 94 16.390 -3.970 -12.640 1.00 0.00 O ATOM 889 NE2 GLN A 94 16.700 -5.510 -14.210 1.00 0.00 N ATOM 0 H GLN A 94 17.515 -3.804 -10.532 1.00 0.00 H new ATOM 0 HA GLN A 94 19.623 -5.526 -9.946 1.00 0.00 H new ATOM 0 HB2 GLN A 94 19.107 -4.259 -12.648 1.00 0.00 H new ATOM 0 HB3 GLN A 94 19.913 -5.782 -12.329 1.00 0.00 H new ATOM 0 HG2 GLN A 94 17.923 -6.853 -12.481 1.00 0.00 H new ATOM 0 HG3 GLN A 94 17.334 -5.962 -11.092 1.00 0.00 H new ATOM 0 HE21 GLN A 94 17.107 -6.409 -14.468 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.169 -4.975 -14.897 1.00 0.00 H new ATOM 893 N THR A 95 20.500 -2.470 -10.760 1.00 0.00 N ATOM 894 CA THR A 95 21.530 -1.410 -10.680 1.00 0.00 C ATOM 895 C THR A 95 22.340 -1.460 -9.380 1.00 0.00 C ATOM 896 O THR A 95 23.550 -1.270 -9.370 1.00 0.00 O ATOM 897 CB THR A 95 20.930 -0.010 -10.910 1.00 0.00 C ATOM 898 OG1 THR A 95 21.920 0.980 -10.610 1.00 0.00 O ATOM 899 CG2 THR A 95 19.650 0.280 -10.120 1.00 0.00 C ATOM 0 H THR A 95 19.567 -2.095 -10.931 1.00 0.00 H new ATOM 0 HA THR A 95 22.230 -1.611 -11.491 1.00 0.00 H new ATOM 0 HB THR A 95 20.636 0.024 -11.959 1.00 0.00 H new ATOM 0 HG1 THR A 95 21.544 1.873 -10.756 1.00 0.00 H new ATOM 0 HG21 THR A 95 19.303 1.288 -10.347 1.00 0.00 H new ATOM 0 HG22 THR A 95 18.880 -0.440 -10.397 1.00 0.00 H new ATOM 0 HG23 THR A 95 19.855 0.199 -9.053 1.00 0.00 H new ATOM 902 N CYS A 96 21.670 -1.840 -8.290 1.00 0.00 N ATOM 903 CA CYS A 96 22.320 -1.960 -6.980 1.00 0.00 C ATOM 904 C CYS A 96 23.050 -3.320 -6.850 1.00 0.00 C ATOM 905 O CYS A 96 22.400 -4.360 -7.110 1.00 0.00 O ATOM 906 CB CYS A 96 21.240 -1.780 -5.910 1.00 0.00 C ATOM 907 SG CYS A 96 21.920 -1.400 -4.250 1.00 0.00 S ATOM 908 OXT CYS A 96 24.190 -3.290 -6.340 1.00 0.00 O ATOM 0 H CYS A 96 20.676 -2.070 -8.287 1.00 0.00 H new ATOM 0 HA CYS A 96 23.085 -1.193 -6.856 1.00 0.00 H new ATOM 0 HB2 CYS A 96 20.569 -0.976 -6.213 1.00 0.00 H new ATOM 0 HB3 CYS A 96 20.642 -2.689 -5.851 1.00 0.00 H new TER 910 CYS A 96