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= -3.84 K(o=-5.4,f=-12!) USER MOD Set 1.2: A 56 THR OG1 : rot 161:sc= -1.53! USER MOD Set 2.1: A 46 THR OG1 : rot 128:sc= 0.731 USER MOD Set 2.2: A 52 TYR OH : rot -110:sc= -0.42! USER MOD Set 2.3: A 80 TYR OH : rot 106:sc= 0.656 USER MOD Set 3.1: A 38 GLN : amide:sc= -0.206 X(o=-2.5,f=-2.5) USER MOD Set 3.2: A 39 ASN : amide:sc= -2.27 K(o=-2.5,f=-5.5!) USER MOD Single : A 1 ASP N :NH3+ -125:sc= 1.11 (180deg=-2.45!) USER MOD Single : A 3 SER OG : rot -41:sc= 0.00997 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 -167:sc= -2.49! USER MOD Single : A 18 THR OG1 : rot -148:sc= -1.34 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 150:sc= -0.116 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -55:sc= 0.264 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.664 K(o=-0.66,f=-1.7) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 90:sc= -0.33 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 67 THR OG1 : rot 123:sc= 0.674 USER MOD Single : A 72 THR OG1 : rot -162:sc= 1.38! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00722 X(o=-0.0072,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0432 USER MOD Single : A 82 THR OG1 : rot -130:sc= 0.125 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -65:sc= 1.46 USER MOD Single : A 88 THR OG1 : rot 124:sc= 1.24 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 1.13 K(o=1.1,f=-0.2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.400 -0.140 0.030 1.00 0.00 N ATOM 2 CA ASP A 1 2.000 -0.060 -1.310 1.00 0.00 C ATOM 3 C ASP A 1 1.750 1.270 -2.060 1.00 0.00 C ATOM 4 O ASP A 1 0.790 2.000 -1.840 1.00 0.00 O ATOM 5 CB ASP A 1 1.600 -1.270 -2.160 1.00 0.00 C ATOM 6 CG ASP A 1 0.100 -1.550 -2.130 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.330 -2.220 -1.170 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.570 -1.140 -3.100 1.00 0.00 O ATOM 0 H1 ASP A 1 2.136 -0.372 0.727 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.970 0.775 0.273 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.669 -0.880 0.039 1.00 0.00 H new ATOM 0 HA ASP A 1 3.077 -0.080 -1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.912 -1.102 -3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 1 2.136 -2.150 -1.804 1.00 0.00 H new ATOM 12 N VAL A 2 2.670 1.590 -2.960 1.00 0.00 N ATOM 13 CA VAL A 2 2.550 2.820 -3.760 1.00 0.00 C ATOM 14 C VAL A 2 2.180 2.390 -5.180 1.00 0.00 C ATOM 15 O VAL A 2 2.790 1.470 -5.720 1.00 0.00 O ATOM 16 CB VAL A 2 3.870 3.600 -3.710 1.00 0.00 C ATOM 17 CG1 VAL A 2 3.790 4.940 -4.440 1.00 0.00 C ATOM 18 CG2 VAL A 2 4.220 3.960 -2.280 1.00 0.00 C ATOM 0 H VAL A 2 3.499 1.030 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 2 1.781 3.488 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 2 4.606 2.946 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.751 5.449 -4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.542 4.769 -5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.019 5.559 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.159 4.513 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.428 4.577 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.325 3.049 -1.691 1.00 0.00 H new ATOM 20 N SER A 3 1.270 3.150 -5.780 1.00 0.00 N ATOM 21 CA SER A 3 0.850 2.920 -7.180 1.00 0.00 C ATOM 22 C SER A 3 1.950 3.260 -8.200 1.00 0.00 C ATOM 23 O SER A 3 1.820 3.050 -9.410 1.00 0.00 O ATOM 24 CB SER A 3 -0.420 3.730 -7.480 1.00 0.00 C ATOM 25 OG SER A 3 -1.140 3.100 -8.550 1.00 0.00 O ATOM 0 H SER A 3 0.802 3.935 -5.327 1.00 0.00 H new ATOM 0 HA SER A 3 0.647 1.854 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.046 3.790 -6.590 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.158 4.752 -7.754 1.00 0.00 H new ATOM 0 HG SER A 3 -0.509 2.802 -9.238 1.00 0.00 H new ATOM 28 N GLY A 4 3.080 3.750 -7.680 1.00 0.00 N ATOM 29 CA GLY A 4 4.270 4.130 -8.440 1.00 0.00 C ATOM 30 C GLY A 4 4.630 5.580 -8.130 1.00 0.00 C ATOM 31 O GLY A 4 3.990 6.240 -7.320 1.00 0.00 O ATOM 0 H GLY A 4 3.193 3.898 -6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.103 3.475 -8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.086 4.010 -9.508 1.00 0.00 H new ATOM 33 N THR A 5 5.810 5.960 -8.580 1.00 0.00 N ATOM 34 CA THR A 5 6.340 7.310 -8.370 1.00 0.00 C ATOM 35 C THR A 5 5.760 8.280 -9.410 1.00 0.00 C ATOM 36 O THR A 5 5.010 7.900 -10.300 1.00 0.00 O ATOM 37 CB THR A 5 7.880 7.220 -8.450 1.00 0.00 C ATOM 38 OG1 THR A 5 8.310 5.980 -7.860 1.00 0.00 O ATOM 39 CG2 THR A 5 8.570 8.310 -7.640 1.00 0.00 C ATOM 0 H THR A 5 6.435 5.347 -9.103 1.00 0.00 H new ATOM 0 HA THR A 5 6.052 7.699 -7.394 1.00 0.00 H new ATOM 0 HB THR A 5 8.140 7.313 -9.504 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.287 5.916 -7.909 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.651 8.201 -7.730 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.271 9.288 -8.017 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.283 8.222 -6.592 1.00 0.00 H new ATOM 42 N VAL A 6 6.000 9.560 -9.180 1.00 0.00 N ATOM 43 CA VAL A 6 5.420 10.630 -10.010 1.00 0.00 C ATOM 44 C VAL A 6 6.490 11.710 -10.210 1.00 0.00 C ATOM 45 O VAL A 6 7.040 12.260 -9.260 1.00 0.00 O ATOM 46 CB VAL A 6 4.100 11.100 -9.360 1.00 0.00 C ATOM 47 CG1 VAL A 6 4.220 12.130 -8.230 1.00 0.00 C ATOM 48 CG2 VAL A 6 3.140 11.580 -10.440 1.00 0.00 C ATOM 0 H VAL A 6 6.595 9.896 -8.423 1.00 0.00 H new ATOM 0 HA VAL A 6 5.142 10.299 -11.011 1.00 0.00 H new ATOM 0 HB VAL A 6 3.709 10.218 -8.852 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.226 12.379 -7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.818 11.713 -7.419 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.701 13.032 -8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.210 11.911 -9.979 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.590 12.410 -10.984 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.932 10.763 -11.131 1.00 0.00 H new ATOM 50 N CYS A 7 6.990 11.740 -11.440 1.00 0.00 N ATOM 51 CA CYS A 7 8.010 12.740 -11.830 1.00 0.00 C ATOM 52 C CYS A 7 7.610 14.140 -11.370 1.00 0.00 C ATOM 53 O CYS A 7 6.440 14.490 -11.410 1.00 0.00 O ATOM 54 CB CYS A 7 8.220 12.710 -13.340 1.00 0.00 C ATOM 55 SG CYS A 7 9.160 11.230 -13.860 1.00 0.00 S ATOM 0 H CYS A 7 6.718 11.098 -12.184 1.00 0.00 H new ATOM 0 HA CYS A 7 8.949 12.484 -11.339 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.253 12.723 -13.843 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.753 13.608 -13.652 1.00 0.00 H new ATOM 57 N LEU A 8 8.580 14.870 -10.830 1.00 0.00 N ATOM 58 CA LEU A 8 8.290 16.230 -10.330 1.00 0.00 C ATOM 59 C LEU A 8 7.690 17.130 -11.430 1.00 0.00 C ATOM 60 O LEU A 8 6.690 17.800 -11.180 1.00 0.00 O ATOM 61 CB LEU A 8 9.530 16.890 -9.750 1.00 0.00 C ATOM 62 CG LEU A 8 9.310 17.670 -8.440 1.00 0.00 C ATOM 63 CD1 LEU A 8 10.240 18.880 -8.520 1.00 0.00 C ATOM 64 CD2 LEU A 8 7.890 18.160 -8.140 1.00 0.00 C ATOM 0 H LEU A 8 9.548 14.566 -10.724 1.00 0.00 H new ATOM 0 HA LEU A 8 7.552 16.115 -9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.282 16.121 -9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.940 17.572 -10.495 1.00 0.00 H new ATOM 0 HG LEU A 8 9.512 16.973 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.134 19.481 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.272 18.540 -8.611 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.978 19.483 -9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.882 18.692 -7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.561 18.831 -8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.215 17.306 -8.084 1.00 0.00 H new ATOM 66 N SER A 9 8.120 16.870 -12.660 1.00 0.00 N ATOM 67 CA SER A 9 7.580 17.510 -13.880 1.00 0.00 C ATOM 68 C SER A 9 6.110 17.110 -14.170 1.00 0.00 C ATOM 69 O SER A 9 5.340 17.890 -14.710 1.00 0.00 O ATOM 70 CB SER A 9 8.460 17.150 -15.080 1.00 0.00 C ATOM 71 OG SER A 9 7.980 17.820 -16.250 1.00 0.00 O ATOM 0 H SER A 9 8.865 16.200 -12.853 1.00 0.00 H new ATOM 0 HA SER A 9 7.590 18.587 -13.710 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.493 17.436 -14.884 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.452 16.072 -15.238 1.00 0.00 H new ATOM 0 HG SER A 9 8.547 17.588 -17.015 1.00 0.00 H new ATOM 74 N ALA A 10 5.740 15.900 -13.740 1.00 0.00 N ATOM 75 CA ALA A 10 4.360 15.390 -13.840 1.00 0.00 C ATOM 76 C ALA A 10 3.440 16.040 -12.790 1.00 0.00 C ATOM 77 O ALA A 10 2.240 16.200 -13.010 1.00 0.00 O ATOM 78 CB ALA A 10 4.370 13.870 -13.650 1.00 0.00 C ATOM 0 H ALA A 10 6.388 15.240 -13.310 1.00 0.00 H new ATOM 0 HA ALA A 10 3.971 15.643 -14.826 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.352 13.487 -13.723 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.986 13.411 -14.423 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.779 13.629 -12.669 1.00 0.00 H new ATOM 80 N LEU A 11 4.020 16.410 -11.660 1.00 0.00 N ATOM 81 CA LEU A 11 3.320 17.120 -10.590 1.00 0.00 C ATOM 82 C LEU A 11 3.130 18.620 -10.880 1.00 0.00 C ATOM 83 O LEU A 11 3.810 19.170 -11.740 1.00 0.00 O ATOM 84 CB LEU A 11 4.090 16.930 -9.290 1.00 0.00 C ATOM 85 CG LEU A 11 3.700 15.630 -8.590 1.00 0.00 C ATOM 86 CD1 LEU A 11 4.470 15.630 -7.280 1.00 0.00 C ATOM 87 CD2 LEU A 11 2.200 15.500 -8.270 1.00 0.00 C ATOM 0 H LEU A 11 5.002 16.226 -11.453 1.00 0.00 H new ATOM 0 HA LEU A 11 2.319 16.696 -10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.160 16.925 -9.498 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.898 17.773 -8.626 1.00 0.00 H new ATOM 0 HG LEU A 11 3.931 14.797 -9.254 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.239 14.723 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.540 15.666 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.185 16.501 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.015 14.547 -7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.896 16.316 -7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.625 15.545 -9.195 1.00 0.00 H new ATOM 89 N PRO A 12 2.180 19.290 -10.190 1.00 0.00 N ATOM 90 CA PRO A 12 1.910 20.720 -10.400 1.00 0.00 C ATOM 91 C PRO A 12 3.070 21.630 -9.910 1.00 0.00 C ATOM 92 O PRO A 12 3.890 21.170 -9.110 1.00 0.00 O ATOM 93 CB PRO A 12 0.580 20.900 -9.670 1.00 0.00 C ATOM 94 CG PRO A 12 0.590 19.920 -8.520 1.00 0.00 C ATOM 95 CD PRO A 12 1.250 18.720 -9.190 1.00 0.00 C ATOM 0 HA PRO A 12 1.843 21.021 -11.446 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.471 21.922 -9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.259 20.707 -10.338 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.162 20.286 -7.667 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.413 19.694 -8.158 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.783 18.108 -8.462 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.508 18.078 -9.665 1.00 0.00 H new ATOM 96 N PRO A 13 3.080 22.930 -10.250 1.00 0.00 N ATOM 97 CA PRO A 13 4.120 23.880 -9.790 1.00 0.00 C ATOM 98 C PRO A 13 4.070 24.180 -8.270 1.00 0.00 C ATOM 99 O PRO A 13 5.040 24.630 -7.670 1.00 0.00 O ATOM 100 CB PRO A 13 3.900 25.140 -10.630 1.00 0.00 C ATOM 101 CG PRO A 13 2.420 25.120 -10.980 1.00 0.00 C ATOM 102 CD PRO A 13 2.070 23.630 -11.090 1.00 0.00 C ATOM 0 HA PRO A 13 5.114 23.454 -9.927 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.162 26.039 -10.071 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.519 25.130 -11.527 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.824 25.612 -10.211 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.227 25.643 -11.917 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.058 23.436 -10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.114 23.290 -12.125 1.00 0.00 H new ATOM 103 N GLU A 14 2.970 23.760 -7.660 1.00 0.00 N ATOM 104 CA GLU A 14 2.730 23.830 -6.210 1.00 0.00 C ATOM 105 C GLU A 14 3.130 22.550 -5.470 1.00 0.00 C ATOM 106 O GLU A 14 3.320 22.590 -4.270 1.00 0.00 O ATOM 107 CB GLU A 14 1.290 24.210 -5.850 1.00 0.00 C ATOM 108 CG GLU A 14 0.220 23.540 -6.720 1.00 0.00 C ATOM 109 CD GLU A 14 0.040 24.200 -8.090 1.00 0.00 C ATOM 110 OE1 GLU A 14 0.510 25.350 -8.290 1.00 0.00 O ATOM 111 OE2 GLU A 14 -0.510 23.520 -8.980 1.00 0.00 O ATOM 0 H GLU A 14 2.190 23.346 -8.170 1.00 0.00 H new ATOM 0 HA GLU A 14 3.383 24.634 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.108 23.949 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.182 25.292 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.484 22.492 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.732 23.559 -6.189 1.00 0.00 H new ATOM 113 N ALA A 15 3.400 21.480 -6.210 1.00 0.00 N ATOM 114 CA ALA A 15 3.880 20.210 -5.630 1.00 0.00 C ATOM 115 C ALA A 15 5.260 20.340 -4.990 1.00 0.00 C ATOM 116 O ALA A 15 5.410 20.160 -3.780 1.00 0.00 O ATOM 117 CB ALA A 15 3.880 19.100 -6.660 1.00 0.00 C ATOM 0 H ALA A 15 3.296 21.458 -7.224 1.00 0.00 H new ATOM 0 HA ALA A 15 3.178 19.952 -4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.239 18.178 -6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.867 18.950 -7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.535 19.372 -7.488 1.00 0.00 H new ATOM 119 N THR A 16 6.170 20.920 -5.770 1.00 0.00 N ATOM 120 CA THR A 16 7.530 21.270 -5.300 1.00 0.00 C ATOM 121 C THR A 16 7.520 22.180 -4.060 1.00 0.00 C ATOM 122 O THR A 16 8.440 22.110 -3.250 1.00 0.00 O ATOM 123 CB THR A 16 8.410 21.810 -6.450 1.00 0.00 C ATOM 124 OG1 THR A 16 9.600 21.020 -6.420 1.00 0.00 O ATOM 125 CG2 THR A 16 8.790 23.300 -6.420 1.00 0.00 C ATOM 0 H THR A 16 5.997 21.164 -6.745 1.00 0.00 H new ATOM 0 HA THR A 16 7.997 20.344 -4.965 1.00 0.00 H new ATOM 0 HB THR A 16 7.817 21.733 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.284 21.438 -6.984 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.407 23.536 -7.287 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.885 23.907 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.347 23.515 -5.508 1.00 0.00 H new ATOM 128 N ASP A 17 6.450 22.950 -3.900 1.00 0.00 N ATOM 129 CA ASP A 17 6.260 23.880 -2.770 1.00 0.00 C ATOM 130 C ASP A 17 6.400 23.130 -1.440 1.00 0.00 C ATOM 131 O ASP A 17 7.340 23.400 -0.710 1.00 0.00 O ATOM 132 CB ASP A 17 4.880 24.530 -2.850 1.00 0.00 C ATOM 133 CG ASP A 17 4.690 25.730 -1.920 1.00 0.00 C ATOM 134 OD1 ASP A 17 4.300 25.490 -0.750 1.00 0.00 O ATOM 135 OD2 ASP A 17 4.890 26.850 -2.420 1.00 0.00 O ATOM 0 H ASP A 17 5.671 22.953 -4.558 1.00 0.00 H new ATOM 0 HA ASP A 17 7.024 24.656 -2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.702 24.850 -3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.125 23.780 -2.614 1.00 0.00 H new ATOM 137 N THR A 18 5.600 22.090 -1.230 1.00 0.00 N ATOM 138 CA THR A 18 5.730 21.260 -0.010 1.00 0.00 C ATOM 139 C THR A 18 7.130 20.660 0.160 1.00 0.00 C ATOM 140 O THR A 18 7.700 20.750 1.230 1.00 0.00 O ATOM 141 CB THR A 18 4.640 20.210 0.060 1.00 0.00 C ATOM 142 OG1 THR A 18 3.440 20.890 0.430 1.00 0.00 O ATOM 143 CG2 THR A 18 4.890 19.080 1.040 1.00 0.00 C ATOM 0 H THR A 18 4.862 21.795 -1.870 1.00 0.00 H new ATOM 0 HA THR A 18 5.594 21.929 0.840 1.00 0.00 H new ATOM 0 HB THR A 18 4.590 19.728 -0.916 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.874 20.290 0.959 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.052 18.383 1.014 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.806 18.557 0.766 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.992 19.487 2.046 1.00 0.00 H new ATOM 146 N LEU A 19 7.640 20.050 -0.900 1.00 0.00 N ATOM 147 CA LEU A 19 8.990 19.450 -0.880 1.00 0.00 C ATOM 148 C LEU A 19 10.060 20.470 -0.480 1.00 0.00 C ATOM 149 O LEU A 19 10.870 20.200 0.410 1.00 0.00 O ATOM 150 CB LEU A 19 9.320 18.850 -2.250 1.00 0.00 C ATOM 151 CG LEU A 19 8.140 18.130 -2.920 1.00 0.00 C ATOM 152 CD1 LEU A 19 8.670 17.530 -4.220 1.00 0.00 C ATOM 153 CD2 LEU A 19 7.480 17.040 -2.070 1.00 0.00 C ATOM 0 H LEU A 19 7.150 19.951 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 19 8.990 18.660 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.668 19.646 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.145 18.146 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 19 7.350 18.864 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.864 17.006 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.051 18.326 -4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.474 16.829 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.659 16.591 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.216 16.273 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.095 17.479 -1.150 1.00 0.00 H new ATOM 155 N ASN A 20 9.850 21.700 -0.920 1.00 0.00 N ATOM 156 CA ASN A 20 10.680 22.860 -0.550 1.00 0.00 C ATOM 157 C ASN A 20 10.500 23.200 0.920 1.00 0.00 C ATOM 158 O ASN A 20 11.490 23.400 1.610 1.00 0.00 O ATOM 159 CB ASN A 20 10.240 24.080 -1.360 1.00 0.00 C ATOM 160 CG ASN A 20 11.420 24.850 -1.930 1.00 0.00 C ATOM 161 OD1 ASN A 20 12.520 24.920 -1.380 1.00 0.00 O ATOM 162 ND2 ASN A 20 11.190 25.440 -3.070 1.00 0.00 N ATOM 0 H ASN A 20 9.088 21.936 -1.556 1.00 0.00 H new ATOM 0 HA ASN A 20 11.721 22.608 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.592 23.758 -2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.650 24.741 -0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.930 25.974 -3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.271 25.367 -3.506 1.00 0.00 H new ATOM 166 N LEU A 21 9.290 23.070 1.440 1.00 0.00 N ATOM 167 CA LEU A 21 9.010 23.240 2.860 1.00 0.00 C ATOM 168 C LEU A 21 9.620 22.100 3.700 1.00 0.00 C ATOM 169 O LEU A 21 10.000 22.350 4.830 1.00 0.00 O ATOM 170 CB LEU A 21 7.490 23.280 3.070 1.00 0.00 C ATOM 171 CG LEU A 21 6.680 24.270 2.230 1.00 0.00 C ATOM 172 CD1 LEU A 21 5.180 23.950 2.380 1.00 0.00 C ATOM 173 CD2 LEU A 21 6.960 25.720 2.580 1.00 0.00 C ATOM 0 H LEU A 21 8.466 22.841 0.884 1.00 0.00 H new ATOM 0 HA LEU A 21 9.463 24.175 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.099 22.281 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.303 23.500 4.121 1.00 0.00 H new ATOM 0 HG LEU A 21 6.988 24.151 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.597 24.652 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.988 22.934 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.892 24.037 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.354 26.370 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.712 25.896 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.016 25.936 2.416 1.00 0.00 H new ATOM 175 N ILE A 22 9.720 20.880 3.180 1.00 0.00 N ATOM 176 CA ILE A 22 10.450 19.780 3.850 1.00 0.00 C ATOM 177 C ILE A 22 11.970 20.020 3.860 1.00 0.00 C ATOM 178 O ILE A 22 12.630 19.830 4.870 1.00 0.00 O ATOM 179 CB ILE A 22 10.080 18.420 3.210 1.00 0.00 C ATOM 180 CG1 ILE A 22 8.680 18.060 3.670 1.00 0.00 C ATOM 181 CG2 ILE A 22 11.010 17.250 3.550 1.00 0.00 C ATOM 182 CD1 ILE A 22 7.710 18.050 2.500 1.00 0.00 C ATOM 0 H ILE A 22 9.304 20.615 2.287 1.00 0.00 H new ATOM 0 HA ILE A 22 10.139 19.755 4.895 1.00 0.00 H new ATOM 0 HB ILE A 22 10.169 18.560 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.690 17.080 4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.344 18.776 4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 22 10.658 16.348 3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.021 17.480 3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.013 17.089 4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.713 17.789 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.684 19.038 2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.036 17.316 1.763 1.00 0.00 H new ATOM 184 N ALA A 23 12.460 20.460 2.700 1.00 0.00 N ATOM 185 CA ALA A 23 13.880 20.750 2.480 1.00 0.00 C ATOM 186 C ALA A 23 14.360 22.000 3.240 1.00 0.00 C ATOM 187 O ALA A 23 15.350 21.960 3.960 1.00 0.00 O ATOM 188 CB ALA A 23 14.140 20.910 0.980 1.00 0.00 C ATOM 0 H ALA A 23 11.878 20.627 1.879 1.00 0.00 H new ATOM 0 HA ALA A 23 14.450 19.909 2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.196 21.126 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.873 19.988 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.537 21.731 0.592 1.00 0.00 H new ATOM 190 N SER A 24 13.530 23.040 3.200 1.00 0.00 N ATOM 191 CA SER A 24 13.760 24.320 3.900 1.00 0.00 C ATOM 192 C SER A 24 13.160 24.320 5.320 1.00 0.00 C ATOM 193 O SER A 24 13.200 25.330 6.020 1.00 0.00 O ATOM 194 CB SER A 24 13.120 25.460 3.090 1.00 0.00 C ATOM 195 OG SER A 24 13.980 26.600 3.060 1.00 0.00 O ATOM 0 H SER A 24 12.658 23.025 2.671 1.00 0.00 H new ATOM 0 HA SER A 24 14.837 24.461 3.989 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.919 25.123 2.073 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.161 25.733 3.531 1.00 0.00 H new ATOM 0 HG SER A 24 13.558 27.315 2.539 1.00 0.00 H new ATOM 198 N ASP A 25 12.620 23.160 5.730 1.00 0.00 N ATOM 199 CA ASP A 25 11.970 22.930 7.040 1.00 0.00 C ATOM 200 C ASP A 25 11.090 24.130 7.450 1.00 0.00 C ATOM 201 O ASP A 25 11.170 24.680 8.550 1.00 0.00 O ATOM 202 CB ASP A 25 13.060 22.560 8.050 1.00 0.00 C ATOM 203 CG ASP A 25 12.530 21.720 9.210 1.00 0.00 C ATOM 204 OD1 ASP A 25 11.450 21.110 9.060 1.00 0.00 O ATOM 205 OD2 ASP A 25 13.260 21.650 10.230 1.00 0.00 O ATOM 0 H ASP A 25 12.622 22.326 5.142 1.00 0.00 H new ATOM 0 HA ASP A 25 11.270 22.096 6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.850 22.009 7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.510 23.472 8.443 1.00 0.00 H new ATOM 207 N GLY A 26 10.260 24.490 6.480 1.00 0.00 N ATOM 208 CA GLY A 26 9.380 25.670 6.540 1.00 0.00 C ATOM 209 C GLY A 26 9.940 26.970 5.960 1.00 0.00 C ATOM 210 O GLY A 26 10.840 26.940 5.120 1.00 0.00 O ATOM 0 H GLY A 26 10.171 23.966 5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.455 25.433 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.118 25.847 7.583 1.00 0.00 H new ATOM 212 N PRO A 27 9.260 28.080 6.310 1.00 0.00 N ATOM 213 CA PRO A 27 8.020 28.110 7.110 1.00 0.00 C ATOM 214 C PRO A 27 6.810 27.640 6.300 1.00 0.00 C ATOM 215 O PRO A 27 6.750 27.790 5.080 1.00 0.00 O ATOM 216 CB PRO A 27 7.880 29.550 7.580 1.00 0.00 C ATOM 217 CG PRO A 27 8.600 30.360 6.500 1.00 0.00 C ATOM 218 CD PRO A 27 9.720 29.440 5.990 1.00 0.00 C ATOM 0 HA PRO A 27 8.067 27.424 7.955 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.833 29.842 7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.335 29.697 8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.919 30.636 5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.005 31.287 6.907 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.877 29.563 4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 27 10.669 29.663 6.479 1.00 0.00 H new ATOM 219 N PHE A 28 5.940 26.900 6.980 1.00 0.00 N ATOM 220 CA PHE A 28 4.750 26.320 6.340 1.00 0.00 C ATOM 221 C PHE A 28 3.510 27.200 6.570 1.00 0.00 C ATOM 222 O PHE A 28 3.140 27.450 7.720 1.00 0.00 O ATOM 223 CB PHE A 28 4.480 24.900 6.840 1.00 0.00 C ATOM 224 CG PHE A 28 5.590 23.890 6.560 1.00 0.00 C ATOM 225 CD1 PHE A 28 6.750 23.870 7.380 1.00 0.00 C ATOM 226 CD2 PHE A 28 5.330 22.810 5.680 1.00 0.00 C ATOM 227 CE1 PHE A 28 7.650 22.780 7.320 1.00 0.00 C ATOM 228 CE2 PHE A 28 6.230 21.710 5.630 1.00 0.00 C ATOM 229 CZ PHE A 28 7.400 21.720 6.420 1.00 0.00 C ATOM 0 H PHE A 28 6.031 26.684 7.973 1.00 0.00 H new ATOM 0 HA PHE A 28 4.954 26.275 5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.308 24.937 7.916 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.559 24.540 6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.946 24.692 8.053 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.453 22.822 5.050 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.522 22.758 7.957 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.019 20.868 4.988 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.110 20.911 6.336 1.00 0.00 H new ATOM 231 N PRO A 29 2.950 27.740 5.480 1.00 0.00 N ATOM 232 CA PRO A 29 1.770 28.620 5.540 1.00 0.00 C ATOM 233 C PRO A 29 0.490 27.840 5.860 1.00 0.00 C ATOM 234 O PRO A 29 -0.260 28.200 6.770 1.00 0.00 O ATOM 235 CB PRO A 29 1.750 29.320 4.180 1.00 0.00 C ATOM 236 CG PRO A 29 2.420 28.340 3.230 1.00 0.00 C ATOM 237 CD PRO A 29 3.440 27.600 4.090 1.00 0.00 C ATOM 0 HA PRO A 29 1.823 29.348 6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.731 29.543 3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.287 30.268 4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.695 27.652 2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.903 28.859 2.402 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.512 26.551 3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.435 28.030 3.978 1.00 0.00 H new ATOM 238 N TYR A 30 0.290 26.740 5.140 1.00 0.00 N ATOM 239 CA TYR A 30 -0.840 25.830 5.370 1.00 0.00 C ATOM 240 C TYR A 30 -0.710 25.120 6.720 1.00 0.00 C ATOM 241 O TYR A 30 0.360 24.600 7.050 1.00 0.00 O ATOM 242 CB TYR A 30 -0.890 24.800 4.240 1.00 0.00 C ATOM 243 CG TYR A 30 -2.130 24.970 3.350 1.00 0.00 C ATOM 244 CD1 TYR A 30 -2.630 26.240 2.990 1.00 0.00 C ATOM 245 CD2 TYR A 30 -2.680 23.780 2.820 1.00 0.00 C ATOM 246 CE1 TYR A 30 -3.690 26.330 2.070 1.00 0.00 C ATOM 247 CE2 TYR A 30 -3.740 23.870 1.900 1.00 0.00 C ATOM 248 CZ TYR A 30 -4.230 25.140 1.530 1.00 0.00 C ATOM 249 OH TYR A 30 -5.230 25.210 0.620 1.00 0.00 O ATOM 0 H TYR A 30 0.904 26.450 4.379 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.762 26.411 5.385 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.008 24.891 3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.886 23.797 4.666 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.202 27.135 3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.292 22.817 3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.085 27.293 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.175 22.975 1.481 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.175 24.442 0.013 1.00 0.00 H new ATOM 252 N SER A 31 -1.820 25.130 7.460 1.00 0.00 N ATOM 253 CA SER A 31 -1.950 24.440 8.760 1.00 0.00 C ATOM 254 C SER A 31 -1.990 22.910 8.620 1.00 0.00 C ATOM 255 O SER A 31 -2.930 22.230 9.030 1.00 0.00 O ATOM 256 CB SER A 31 -3.190 24.930 9.530 1.00 0.00 C ATOM 257 OG SER A 31 -2.910 26.130 10.240 1.00 0.00 O ATOM 0 H SER A 31 -2.668 25.621 7.177 1.00 0.00 H new ATOM 0 HA SER A 31 -1.054 24.693 9.327 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.011 25.099 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.517 24.159 10.227 1.00 0.00 H new ATOM 0 HG SER A 31 -3.714 26.422 10.719 1.00 0.00 H new ATOM 260 N GLN A 32 -0.940 22.410 8.000 1.00 0.00 N ATOM 261 CA GLN A 32 -0.780 20.970 7.700 1.00 0.00 C ATOM 262 C GLN A 32 0.680 20.590 7.510 1.00 0.00 C ATOM 263 O GLN A 32 1.190 20.400 6.400 1.00 0.00 O ATOM 264 CB GLN A 32 -1.610 20.610 6.480 1.00 0.00 C ATOM 265 CG GLN A 32 -2.600 19.530 6.900 1.00 0.00 C ATOM 266 CD GLN A 32 -3.750 19.430 5.920 1.00 0.00 C ATOM 267 OE1 GLN A 32 -3.780 20.020 4.850 1.00 0.00 O ATOM 268 NE2 GLN A 32 -4.810 18.750 6.280 1.00 0.00 N ATOM 0 H GLN A 32 -0.158 22.982 7.681 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.140 20.397 8.555 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.137 21.487 6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.970 20.251 5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.089 18.569 6.964 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.985 19.753 7.895 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.816 18.247 7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.629 18.724 5.673 1.00 0.00 H new ATOM 272 N ASP A 33 1.320 20.570 8.670 1.00 0.00 N ATOM 273 CA ASP A 33 2.750 20.250 8.800 1.00 0.00 C ATOM 274 C ASP A 33 3.220 20.140 10.250 1.00 0.00 C ATOM 275 O ASP A 33 2.930 21.010 11.060 1.00 0.00 O ATOM 276 CB ASP A 33 3.550 21.330 8.080 1.00 0.00 C ATOM 277 CG ASP A 33 3.920 22.540 8.920 1.00 0.00 C ATOM 278 OD1 ASP A 33 3.040 23.410 9.100 1.00 0.00 O ATOM 279 OD2 ASP A 33 5.080 22.530 9.380 1.00 0.00 O ATOM 0 H ASP A 33 0.865 20.776 9.560 1.00 0.00 H new ATOM 0 HA ASP A 33 2.911 19.269 8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.467 20.883 7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.975 21.670 7.219 1.00 0.00 H new ATOM 281 N GLY A 34 4.150 19.210 10.430 1.00 0.00 N ATOM 282 CA GLY A 34 4.800 18.960 11.730 1.00 0.00 C ATOM 283 C GLY A 34 4.010 17.950 12.580 1.00 0.00 C ATOM 284 O GLY A 34 4.100 17.920 13.800 1.00 0.00 O ATOM 0 H GLY A 34 4.482 18.601 9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.810 18.585 11.565 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.894 19.899 12.276 1.00 0.00 H new ATOM 286 N VAL A 35 3.230 17.140 11.870 1.00 0.00 N ATOM 287 CA VAL A 35 2.430 16.050 12.430 1.00 0.00 C ATOM 288 C VAL A 35 2.820 14.720 11.780 1.00 0.00 C ATOM 289 O VAL A 35 3.140 14.680 10.600 1.00 0.00 O ATOM 290 CB VAL A 35 0.910 16.310 12.260 1.00 0.00 C ATOM 291 CG1 VAL A 35 0.470 17.510 13.120 1.00 0.00 C ATOM 292 CG2 VAL A 35 0.470 16.530 10.810 1.00 0.00 C ATOM 0 H VAL A 35 3.133 17.225 10.858 1.00 0.00 H new ATOM 0 HA VAL A 35 2.638 15.999 13.499 1.00 0.00 H new ATOM 0 HB VAL A 35 0.418 15.398 12.597 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.599 17.679 12.989 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.679 17.302 14.169 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.018 18.400 12.811 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.605 16.705 10.779 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.990 17.395 10.399 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.711 15.647 10.219 1.00 0.00 H new ATOM 294 N VAL A 36 2.760 13.680 12.610 1.00 0.00 N ATOM 295 CA VAL A 36 3.010 12.290 12.210 1.00 0.00 C ATOM 296 C VAL A 36 1.750 11.690 11.560 1.00 0.00 C ATOM 297 O VAL A 36 0.620 12.040 11.890 1.00 0.00 O ATOM 298 CB VAL A 36 3.530 11.490 13.430 1.00 0.00 C ATOM 299 CG1 VAL A 36 3.390 9.960 13.330 1.00 0.00 C ATOM 300 CG2 VAL A 36 5.010 11.800 13.660 1.00 0.00 C ATOM 0 H VAL A 36 2.532 13.778 13.599 1.00 0.00 H new ATOM 0 HA VAL A 36 3.789 12.241 11.449 1.00 0.00 H new ATOM 0 HB VAL A 36 2.895 11.812 14.255 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.784 9.499 14.236 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.338 9.697 13.217 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.949 9.599 12.466 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.371 11.235 14.519 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.582 11.520 12.775 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.133 12.866 13.849 1.00 0.00 H new ATOM 302 N PHE A 37 2.010 10.700 10.710 1.00 0.00 N ATOM 303 CA PHE A 37 0.970 9.910 10.040 1.00 0.00 C ATOM 304 C PHE A 37 1.290 8.420 10.190 1.00 0.00 C ATOM 305 O PHE A 37 1.970 7.870 9.340 1.00 0.00 O ATOM 306 CB PHE A 37 0.970 10.350 8.570 1.00 0.00 C ATOM 307 CG PHE A 37 0.020 9.550 7.680 1.00 0.00 C ATOM 308 CD1 PHE A 37 -1.370 9.570 7.930 1.00 0.00 C ATOM 309 CD2 PHE A 37 0.540 8.780 6.630 1.00 0.00 C ATOM 310 CE1 PHE A 37 -2.230 8.790 7.130 1.00 0.00 C ATOM 311 CE2 PHE A 37 -0.320 8.020 5.810 1.00 0.00 C ATOM 312 CZ PHE A 37 -1.700 8.020 6.070 1.00 0.00 C ATOM 0 H PHE A 37 2.958 10.417 10.461 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.017 10.069 10.474 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.699 11.404 8.517 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.982 10.261 8.175 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.771 10.178 8.728 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.605 8.769 6.448 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.292 8.781 7.327 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.079 7.443 4.989 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.361 7.427 5.455 1.00 0.00 H new ATOM 314 N GLN A 38 0.790 7.740 11.220 1.00 0.00 N ATOM 315 CA GLN A 38 1.050 6.290 11.400 1.00 0.00 C ATOM 316 C GLN A 38 0.320 5.410 10.370 1.00 0.00 C ATOM 317 O GLN A 38 -0.490 4.560 10.720 1.00 0.00 O ATOM 318 CB GLN A 38 0.670 5.830 12.820 1.00 0.00 C ATOM 319 CG GLN A 38 1.300 4.460 13.130 1.00 0.00 C ATOM 320 CD GLN A 38 0.290 3.330 13.300 1.00 0.00 C ATOM 321 OE1 GLN A 38 -0.550 3.320 14.200 1.00 0.00 O ATOM 322 NE2 GLN A 38 0.420 2.310 12.490 1.00 0.00 N ATOM 0 H GLN A 38 0.205 8.155 11.945 1.00 0.00 H new ATOM 0 HA GLN A 38 2.121 6.163 11.243 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.008 6.566 13.550 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.414 5.767 12.910 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.988 4.199 12.326 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.892 4.543 14.042 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.121 2.333 11.749 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.179 1.492 12.600 1.00 0.00 H new ATOM 326 N ASN A 39 0.500 5.760 9.100 1.00 0.00 N ATOM 327 CA ASN A 39 -0.130 5.140 7.910 1.00 0.00 C ATOM 328 C ASN A 39 -1.500 4.550 8.280 1.00 0.00 C ATOM 329 O ASN A 39 -1.720 3.350 8.190 1.00 0.00 O ATOM 330 CB ASN A 39 0.850 4.130 7.280 1.00 0.00 C ATOM 331 CG ASN A 39 1.040 2.850 8.110 1.00 0.00 C ATOM 332 OD1 ASN A 39 1.230 2.840 9.320 1.00 0.00 O ATOM 333 ND2 ASN A 39 0.960 1.720 7.450 1.00 0.00 N ATOM 0 H ASN A 39 1.123 6.527 8.845 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.334 5.888 7.144 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.489 3.858 6.288 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.818 4.612 7.146 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.056 0.833 7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.802 1.728 6.442 1.00 0.00 H new ATOM 337 N ARG A 40 -2.350 5.380 8.890 1.00 0.00 N ATOM 338 CA ARG A 40 -3.630 4.880 9.440 1.00 0.00 C ATOM 339 C ARG A 40 -4.500 4.200 8.390 1.00 0.00 C ATOM 340 O ARG A 40 -5.230 3.250 8.670 1.00 0.00 O ATOM 341 CB ARG A 40 -4.470 5.950 10.160 1.00 0.00 C ATOM 342 CG ARG A 40 -4.500 7.290 9.430 1.00 0.00 C ATOM 343 CD ARG A 40 -3.520 8.240 10.120 1.00 0.00 C ATOM 344 NE ARG A 40 -4.030 8.570 11.460 1.00 0.00 N ATOM 345 CZ ARG A 40 -5.130 9.270 11.720 1.00 0.00 C ATOM 346 NH1 ARG A 40 -5.860 9.850 10.770 1.00 0.00 N ATOM 347 NH2 ARG A 40 -5.510 9.380 12.980 1.00 0.00 N ATOM 0 H ARG A 40 -2.189 6.379 9.018 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.315 4.146 10.182 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.490 5.584 10.274 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.071 6.100 11.163 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.226 7.157 8.383 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.507 7.707 9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.537 7.776 10.196 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.399 9.148 9.530 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.493 8.232 12.259 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.583 9.767 9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.697 10.377 11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.964 8.935 13.718 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.349 9.910 13.215 1.00 0.00 H new ATOM 354 N GLU A 41 -4.260 4.640 7.170 1.00 0.00 N ATOM 355 CA GLU A 41 -4.840 4.020 5.980 1.00 0.00 C ATOM 356 C GLU A 41 -4.200 2.680 5.580 1.00 0.00 C ATOM 357 O GLU A 41 -4.760 1.980 4.750 1.00 0.00 O ATOM 358 CB GLU A 41 -4.790 4.990 4.820 1.00 0.00 C ATOM 359 CG GLU A 41 -6.200 5.550 4.690 1.00 0.00 C ATOM 360 CD GLU A 41 -6.360 6.270 3.370 1.00 0.00 C ATOM 361 OE1 GLU A 41 -5.420 7.030 3.040 1.00 0.00 O ATOM 362 OE2 GLU A 41 -7.410 6.010 2.740 1.00 0.00 O ATOM 0 H GLU A 41 -3.657 5.438 6.969 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.872 3.783 6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.068 5.786 5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.482 4.488 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.928 4.741 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.404 6.235 5.513 1.00 0.00 H new ATOM 364 N SER A 42 -3.010 2.400 6.110 1.00 0.00 N ATOM 365 CA SER A 42 -2.210 1.180 5.810 1.00 0.00 C ATOM 366 C SER A 42 -2.160 0.900 4.300 1.00 0.00 C ATOM 367 O SER A 42 -2.360 -0.200 3.800 1.00 0.00 O ATOM 368 CB SER A 42 -2.770 0.010 6.630 1.00 0.00 C ATOM 369 OG SER A 42 -1.990 -1.170 6.440 1.00 0.00 O ATOM 0 H SER A 42 -2.552 3.020 6.777 1.00 0.00 H new ATOM 0 HA SER A 42 -1.171 1.330 6.105 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.782 0.276 7.687 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.802 -0.182 6.338 1.00 0.00 H new ATOM 0 HG SER A 42 -1.938 -1.377 5.484 1.00 0.00 H new ATOM 372 N VAL A 43 -2.000 2.000 3.580 1.00 0.00 N ATOM 373 CA VAL A 43 -1.960 1.950 2.110 1.00 0.00 C ATOM 374 C VAL A 43 -0.520 2.110 1.630 1.00 0.00 C ATOM 375 O VAL A 43 -0.230 1.940 0.460 1.00 0.00 O ATOM 376 CB VAL A 43 -2.930 2.970 1.470 1.00 0.00 C ATOM 377 CG1 VAL A 43 -2.870 3.000 -0.070 1.00 0.00 C ATOM 378 CG2 VAL A 43 -4.380 2.620 1.780 1.00 0.00 C ATOM 0 H VAL A 43 -1.896 2.934 3.976 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.313 0.973 1.779 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.616 3.926 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.577 3.738 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.862 3.266 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.128 2.017 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.039 3.355 1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.607 1.629 1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.533 2.625 2.859 1.00 0.00 H new ATOM 380 N LEU A 44 0.380 2.490 2.530 1.00 0.00 N ATOM 381 CA LEU A 44 1.770 2.790 2.190 1.00 0.00 C ATOM 382 C LEU A 44 2.630 1.540 2.490 1.00 0.00 C ATOM 383 O LEU A 44 2.260 0.800 3.410 1.00 0.00 O ATOM 384 CB LEU A 44 2.160 3.980 3.080 1.00 0.00 C ATOM 385 CG LEU A 44 1.500 5.330 2.750 1.00 0.00 C ATOM 386 CD1 LEU A 44 2.450 6.160 1.920 1.00 0.00 C ATOM 387 CD2 LEU A 44 0.210 5.320 1.960 1.00 0.00 C ATOM 0 H LEU A 44 0.167 2.600 3.521 1.00 0.00 H new ATOM 0 HA LEU A 44 1.917 3.039 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.920 3.727 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.241 4.107 3.026 1.00 0.00 H new ATOM 0 HG LEU A 44 1.263 5.717 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.986 7.118 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.369 6.331 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.682 5.632 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.131 6.344 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.379 4.846 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.549 4.763 2.509 1.00 0.00 H new ATOM 389 N PRO A 45 3.720 1.300 1.740 1.00 0.00 N ATOM 390 CA PRO A 45 4.530 0.070 1.870 1.00 0.00 C ATOM 391 C PRO A 45 5.440 0.100 3.100 1.00 0.00 C ATOM 392 O PRO A 45 6.650 -0.140 3.020 1.00 0.00 O ATOM 393 CB PRO A 45 5.290 0.000 0.540 1.00 0.00 C ATOM 394 CG PRO A 45 5.510 1.460 0.170 1.00 0.00 C ATOM 395 CD PRO A 45 4.270 2.180 0.700 1.00 0.00 C ATOM 0 HA PRO A 45 3.929 -0.823 2.038 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.235 -0.532 0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.714 -0.524 -0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.421 1.852 0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.611 1.585 -0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.528 3.157 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.544 2.349 -0.095 1.00 0.00 H new ATOM 396 N THR A 46 4.800 0.300 4.250 1.00 0.00 N ATOM 397 CA THR A 46 5.450 0.460 5.560 1.00 0.00 C ATOM 398 C THR A 46 4.400 0.120 6.650 1.00 0.00 C ATOM 399 O THR A 46 3.450 -0.620 6.370 1.00 0.00 O ATOM 400 CB THR A 46 6.020 1.890 5.700 1.00 0.00 C ATOM 401 OG1 THR A 46 6.520 2.350 4.440 1.00 0.00 O ATOM 402 CG2 THR A 46 7.160 1.960 6.710 1.00 0.00 C ATOM 0 H THR A 46 3.783 0.358 4.303 1.00 0.00 H new ATOM 0 HA THR A 46 6.298 -0.215 5.670 1.00 0.00 H new ATOM 0 HB THR A 46 5.200 2.518 6.047 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.135 3.228 4.236 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.527 2.984 6.773 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.799 1.643 7.688 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.969 1.303 6.391 1.00 0.00 H new ATOM 405 N GLN A 47 4.540 0.710 7.830 1.00 0.00 N ATOM 406 CA GLN A 47 3.730 0.440 9.050 1.00 0.00 C ATOM 407 C GLN A 47 4.260 1.240 10.250 1.00 0.00 C ATOM 408 O GLN A 47 3.500 1.620 11.140 1.00 0.00 O ATOM 409 CB GLN A 47 3.730 -1.050 9.400 1.00 0.00 C ATOM 410 CG GLN A 47 2.900 -1.360 10.660 1.00 0.00 C ATOM 411 CD GLN A 47 2.730 -2.850 10.890 1.00 0.00 C ATOM 412 OE1 GLN A 47 2.190 -3.590 10.070 1.00 0.00 O ATOM 413 NE2 GLN A 47 3.150 -3.330 12.040 1.00 0.00 N ATOM 0 H GLN A 47 5.249 1.426 7.988 1.00 0.00 H new ATOM 0 HA GLN A 47 2.709 0.752 8.831 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.333 -1.618 8.558 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.756 -1.384 9.554 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.384 -0.914 11.529 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.918 -0.895 10.568 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.597 -2.713 12.717 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.028 -4.320 12.255 1.00 0.00 H new ATOM 417 N SER A 48 5.590 1.350 10.310 1.00 0.00 N ATOM 418 CA SER A 48 6.310 2.070 11.370 1.00 0.00 C ATOM 419 C SER A 48 5.630 3.380 11.790 1.00 0.00 C ATOM 420 O SER A 48 4.960 4.060 11.010 1.00 0.00 O ATOM 421 CB SER A 48 7.760 2.350 10.950 1.00 0.00 C ATOM 422 OG SER A 48 7.780 3.010 9.680 1.00 0.00 O ATOM 0 H SER A 48 6.209 0.935 9.613 1.00 0.00 H new ATOM 0 HA SER A 48 6.296 1.412 12.239 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.252 2.970 11.700 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.318 1.416 10.893 1.00 0.00 H new ATOM 0 HG SER A 48 8.708 3.188 9.418 1.00 0.00 H new ATOM 425 N TYR A 49 5.800 3.680 13.060 1.00 0.00 N ATOM 426 CA TYR A 49 5.140 4.830 13.690 1.00 0.00 C ATOM 427 C TYR A 49 6.150 5.970 13.880 1.00 0.00 C ATOM 428 O TYR A 49 7.310 5.730 14.210 1.00 0.00 O ATOM 429 CB TYR A 49 4.540 4.410 15.040 1.00 0.00 C ATOM 430 CG TYR A 49 3.740 5.510 15.750 1.00 0.00 C ATOM 431 CD1 TYR A 49 3.130 6.560 15.020 1.00 0.00 C ATOM 432 CD2 TYR A 49 3.570 5.420 17.150 1.00 0.00 C ATOM 433 CE1 TYR A 49 2.320 7.510 15.670 1.00 0.00 C ATOM 434 CE2 TYR A 49 2.770 6.380 17.810 1.00 0.00 C ATOM 435 CZ TYR A 49 2.160 7.400 17.060 1.00 0.00 C ATOM 436 OH TYR A 49 1.420 8.350 17.680 1.00 0.00 O ATOM 0 H TYR A 49 6.394 3.144 13.692 1.00 0.00 H new ATOM 0 HA TYR A 49 4.335 5.183 13.046 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.890 3.550 14.882 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.347 4.084 15.696 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.288 6.632 13.954 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.046 4.627 17.709 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.836 8.300 15.115 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.629 6.330 18.880 1.00 0.00 H new ATOM 0 HH TYR A 49 1.384 8.161 18.641 1.00 0.00 H new ATOM 439 N GLY A 50 5.700 7.160 13.500 1.00 0.00 N ATOM 440 CA GLY A 50 6.520 8.380 13.610 1.00 0.00 C ATOM 441 C GLY A 50 7.420 8.600 12.390 1.00 0.00 C ATOM 442 O GLY A 50 7.830 9.720 12.100 1.00 0.00 O ATOM 0 H GLY A 50 4.770 7.315 13.111 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.865 9.243 13.734 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.138 8.318 14.506 1.00 0.00 H new ATOM 444 N TYR A 51 7.600 7.520 11.620 1.00 0.00 N ATOM 445 CA TYR A 51 8.390 7.490 10.380 1.00 0.00 C ATOM 446 C TYR A 51 7.700 8.160 9.190 1.00 0.00 C ATOM 447 O TYR A 51 8.210 8.140 8.070 1.00 0.00 O ATOM 448 CB TYR A 51 8.650 6.020 10.060 1.00 0.00 C ATOM 449 CG TYR A 51 10.120 5.740 9.780 1.00 0.00 C ATOM 450 CD1 TYR A 51 11.030 5.730 10.860 1.00 0.00 C ATOM 451 CD2 TYR A 51 10.540 5.490 8.450 1.00 0.00 C ATOM 452 CE1 TYR A 51 12.390 5.490 10.610 1.00 0.00 C ATOM 453 CE2 TYR A 51 11.910 5.250 8.200 1.00 0.00 C ATOM 454 CZ TYR A 51 12.820 5.270 9.280 1.00 0.00 C ATOM 455 OH TYR A 51 14.140 5.140 9.030 1.00 0.00 O ATOM 0 H TYR A 51 7.188 6.615 11.848 1.00 0.00 H new ATOM 0 HA TYR A 51 9.307 8.056 10.542 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.318 5.404 10.896 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.056 5.729 9.194 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.683 5.905 11.868 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.825 5.483 7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 51 13.100 5.473 11.423 1.00 0.00 H new ATOM 0 HE2 TYR A 51 12.257 5.054 7.196 1.00 0.00 H new ATOM 0 HH TYR A 51 14.278 4.993 8.071 1.00 0.00 H new ATOM 458 N TYR A 52 6.490 8.650 9.430 1.00 0.00 N ATOM 459 CA TYR A 52 5.650 9.310 8.430 1.00 0.00 C ATOM 460 C TYR A 52 5.150 10.640 8.980 1.00 0.00 C ATOM 461 O TYR A 52 4.780 10.700 10.150 1.00 0.00 O ATOM 462 CB TYR A 52 4.420 8.470 8.210 1.00 0.00 C ATOM 463 CG TYR A 52 4.550 7.350 7.200 1.00 0.00 C ATOM 464 CD1 TYR A 52 5.270 6.180 7.510 1.00 0.00 C ATOM 465 CD2 TYR A 52 3.940 7.570 5.960 1.00 0.00 C ATOM 466 CE1 TYR A 52 5.400 5.210 6.510 1.00 0.00 C ATOM 467 CE2 TYR A 52 4.080 6.600 4.970 1.00 0.00 C ATOM 468 CZ TYR A 52 4.810 5.440 5.240 1.00 0.00 C ATOM 469 OH TYR A 52 4.950 4.540 4.240 1.00 0.00 O ATOM 0 H TYR A 52 6.051 8.599 10.349 1.00 0.00 H new ATOM 0 HA TYR A 52 6.230 9.448 7.518 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.125 8.037 9.166 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.609 9.126 7.893 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.707 6.036 8.487 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.374 8.471 5.775 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.943 4.297 6.702 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.627 6.744 4.000 1.00 0.00 H new ATOM 0 HH TYR A 52 5.534 4.911 3.546 1.00 0.00 H new ATOM 472 N HIS A 53 4.920 11.540 8.040 1.00 0.00 N ATOM 473 CA HIS A 53 4.420 12.900 8.320 1.00 0.00 C ATOM 474 C HIS A 53 3.530 13.390 7.180 1.00 0.00 C ATOM 475 O HIS A 53 3.600 12.900 6.060 1.00 0.00 O ATOM 476 CB HIS A 53 5.580 13.880 8.560 1.00 0.00 C ATOM 477 CG HIS A 53 6.430 13.480 9.770 1.00 0.00 C ATOM 478 ND1 HIS A 53 7.540 12.740 9.730 1.00 0.00 N ATOM 479 CD2 HIS A 53 6.210 13.790 11.050 1.00 0.00 C ATOM 480 CE1 HIS A 53 8.000 12.590 10.960 1.00 0.00 C ATOM 481 NE2 HIS A 53 7.170 13.240 11.780 1.00 0.00 N ATOM 0 H HIS A 53 5.072 11.358 7.048 1.00 0.00 H new ATOM 0 HA HIS A 53 3.824 12.857 9.231 1.00 0.00 H new ATOM 0 HB2 HIS A 53 6.210 13.920 7.672 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.181 14.883 8.713 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.391 14.386 11.426 1.00 0.00 H new ATOM 0 HE1 HIS A 53 8.885 12.042 11.249 1.00 0.00 H new ATOM 0 HE2 HIS A 53 7.260 13.302 12.794 1.00 0.00 H new ATOM 485 N GLU A 54 2.650 14.320 7.530 1.00 0.00 N ATOM 486 CA GLU A 54 1.710 14.920 6.570 1.00 0.00 C ATOM 487 C GLU A 54 2.100 16.360 6.280 1.00 0.00 C ATOM 488 O GLU A 54 2.380 17.130 7.210 1.00 0.00 O ATOM 489 CB GLU A 54 0.290 14.930 7.120 1.00 0.00 C ATOM 490 CG GLU A 54 -0.220 13.510 7.350 1.00 0.00 C ATOM 491 CD GLU A 54 -0.860 13.380 8.740 1.00 0.00 C ATOM 492 OE1 GLU A 54 -0.100 13.550 9.710 1.00 0.00 O ATOM 493 OE2 GLU A 54 -2.080 13.080 8.810 1.00 0.00 O ATOM 0 H GLU A 54 2.562 14.683 8.479 1.00 0.00 H new ATOM 0 HA GLU A 54 1.751 14.317 5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.264 15.485 8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.369 15.448 6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.950 13.252 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.604 12.803 7.256 1.00 0.00 H new ATOM 495 N TYR A 55 2.110 16.670 4.990 1.00 0.00 N ATOM 496 CA TYR A 55 2.530 17.980 4.470 1.00 0.00 C ATOM 497 C TYR A 55 1.710 18.360 3.230 1.00 0.00 C ATOM 498 O TYR A 55 2.220 18.380 2.110 1.00 0.00 O ATOM 499 CB TYR A 55 4.030 17.910 4.140 1.00 0.00 C ATOM 500 CG TYR A 55 4.950 17.810 5.350 1.00 0.00 C ATOM 501 CD1 TYR A 55 4.810 18.710 6.410 1.00 0.00 C ATOM 502 CD2 TYR A 55 5.980 16.860 5.350 1.00 0.00 C ATOM 503 CE1 TYR A 55 5.680 18.650 7.510 1.00 0.00 C ATOM 504 CE2 TYR A 55 6.890 16.810 6.430 1.00 0.00 C ATOM 505 CZ TYR A 55 6.720 17.710 7.500 1.00 0.00 C ATOM 506 OH TYR A 55 7.550 17.670 8.570 1.00 0.00 O ATOM 0 H TYR A 55 1.825 16.016 4.261 1.00 0.00 H new ATOM 0 HA TYR A 55 2.356 18.752 5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.205 17.048 3.496 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.303 18.796 3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.029 19.455 6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.078 16.168 4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.550 19.317 8.350 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.700 16.096 6.435 1.00 0.00 H new ATOM 0 HH TYR A 55 8.225 16.973 8.434 1.00 0.00 H new ATOM 509 N THR A 56 0.400 18.520 3.400 1.00 0.00 N ATOM 510 CA THR A 56 -0.480 18.920 2.290 1.00 0.00 C ATOM 511 C THR A 56 0.160 19.950 1.370 1.00 0.00 C ATOM 512 O THR A 56 0.670 20.990 1.800 1.00 0.00 O ATOM 513 CB THR A 56 -1.840 19.430 2.770 1.00 0.00 C ATOM 514 OG1 THR A 56 -2.710 18.320 2.930 1.00 0.00 O ATOM 515 CG2 THR A 56 -2.600 20.470 1.930 1.00 0.00 C ATOM 0 H THR A 56 -0.080 18.381 4.289 1.00 0.00 H new ATOM 0 HA THR A 56 -0.640 18.007 1.717 1.00 0.00 H new ATOM 0 HB THR A 56 -1.574 19.966 3.681 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.457 18.571 3.513 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.542 20.716 2.420 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.995 21.372 1.833 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.802 20.061 0.940 1.00 0.00 H new ATOM 518 N VAL A 57 0.110 19.580 0.120 1.00 0.00 N ATOM 519 CA VAL A 57 0.630 20.460 -0.920 1.00 0.00 C ATOM 520 C VAL A 57 -0.490 21.360 -1.420 1.00 0.00 C ATOM 521 O VAL A 57 -1.540 20.870 -1.840 1.00 0.00 O ATOM 522 CB VAL A 57 1.340 19.600 -1.960 1.00 0.00 C ATOM 523 CG1 VAL A 57 0.460 19.030 -3.060 1.00 0.00 C ATOM 524 CG2 VAL A 57 2.390 20.490 -2.580 1.00 0.00 C ATOM 0 H VAL A 57 -0.275 18.695 -0.211 1.00 0.00 H new ATOM 0 HA VAL A 57 1.388 21.156 -0.560 1.00 0.00 H new ATOM 0 HB VAL A 57 1.734 18.721 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.069 18.436 -3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.311 18.399 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.010 19.846 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.939 19.932 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.909 21.353 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.081 20.829 -1.808 1.00 0.00 H new ATOM 526 N ILE A 58 -0.320 22.650 -1.130 1.00 0.00 N ATOM 527 CA ILE A 58 -1.200 23.700 -1.690 1.00 0.00 C ATOM 528 C ILE A 58 -1.590 23.360 -3.140 1.00 0.00 C ATOM 529 O ILE A 58 -0.760 22.890 -3.910 1.00 0.00 O ATOM 530 CB ILE A 58 -0.530 25.080 -1.550 1.00 0.00 C ATOM 531 CG1 ILE A 58 -1.080 25.730 -0.290 1.00 0.00 C ATOM 532 CG2 ILE A 58 -0.700 26.080 -2.720 1.00 0.00 C ATOM 533 CD1 ILE A 58 0.040 26.150 0.650 1.00 0.00 C ATOM 0 H ILE A 58 0.413 23.002 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.130 23.741 -1.124 1.00 0.00 H new ATOM 0 HB ILE A 58 0.540 24.871 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.678 26.601 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.744 25.033 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.177 27.007 -2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.283 25.649 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.759 26.289 -2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.386 26.611 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.621 25.274 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.689 26.866 0.146 1.00 0.00 H new ATOM 535 N THR A 59 -2.820 23.740 -3.470 1.00 0.00 N ATOM 536 CA THR A 59 -3.370 23.510 -4.820 1.00 0.00 C ATOM 537 C THR A 59 -4.130 24.730 -5.360 1.00 0.00 C ATOM 538 O THR A 59 -4.780 25.420 -4.580 1.00 0.00 O ATOM 539 CB THR A 59 -4.160 22.190 -4.780 1.00 0.00 C ATOM 540 OG1 THR A 59 -3.140 21.210 -4.800 1.00 0.00 O ATOM 541 CG2 THR A 59 -5.130 21.940 -5.940 1.00 0.00 C ATOM 0 H THR A 59 -3.461 24.208 -2.829 1.00 0.00 H new ATOM 0 HA THR A 59 -2.575 23.394 -5.557 1.00 0.00 H new ATOM 0 HB THR A 59 -4.817 22.188 -3.910 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.874 20.996 -3.881 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.626 20.980 -5.799 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.877 22.734 -5.967 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.578 21.929 -6.880 1.00 0.00 H new ATOM 544 N PRO A 60 -3.970 25.030 -6.660 1.00 0.00 N ATOM 545 CA PRO A 60 -4.670 26.150 -7.300 1.00 0.00 C ATOM 546 C PRO A 60 -6.130 25.770 -7.520 1.00 0.00 C ATOM 547 O PRO A 60 -6.480 24.600 -7.650 1.00 0.00 O ATOM 548 CB PRO A 60 -3.930 26.370 -8.620 1.00 0.00 C ATOM 549 CG PRO A 60 -3.450 24.970 -9.000 1.00 0.00 C ATOM 550 CD PRO A 60 -3.160 24.300 -7.660 1.00 0.00 C ATOM 0 HA PRO A 60 -4.673 27.061 -6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.586 26.790 -9.382 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.096 27.062 -8.502 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.210 24.427 -9.561 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.559 25.010 -9.627 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.428 23.244 -7.685 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.099 24.354 -7.418 1.00 0.00 H new ATOM 551 N GLY A 61 -6.970 26.800 -7.380 1.00 0.00 N ATOM 552 CA GLY A 61 -8.440 26.680 -7.460 1.00 0.00 C ATOM 553 C GLY A 61 -8.990 25.620 -6.490 1.00 0.00 C ATOM 554 O GLY A 61 -10.000 24.970 -6.770 1.00 0.00 O ATOM 0 H GLY A 61 -6.651 27.753 -7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.894 27.645 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.727 26.421 -8.479 1.00 0.00 H new ATOM 556 N ALA A 62 -8.310 25.480 -5.360 1.00 0.00 N ATOM 557 CA ALA A 62 -8.710 24.530 -4.310 1.00 0.00 C ATOM 558 C ALA A 62 -9.510 25.330 -3.290 1.00 0.00 C ATOM 559 O ALA A 62 -8.970 26.130 -2.530 1.00 0.00 O ATOM 560 CB ALA A 62 -7.460 23.910 -3.660 1.00 0.00 C ATOM 0 H ALA A 62 -7.470 26.014 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.306 23.711 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.764 23.208 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.879 23.384 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.851 24.698 -3.218 1.00 0.00 H new ATOM 562 N ARG A 63 -10.830 25.290 -3.490 1.00 0.00 N ATOM 563 CA ARG A 63 -11.800 25.940 -2.580 1.00 0.00 C ATOM 564 C ARG A 63 -11.460 25.780 -1.090 1.00 0.00 C ATOM 565 O ARG A 63 -11.770 26.630 -0.270 1.00 0.00 O ATOM 566 CB ARG A 63 -13.230 25.440 -2.800 1.00 0.00 C ATOM 567 CG ARG A 63 -13.890 26.270 -3.900 1.00 0.00 C ATOM 568 CD ARG A 63 -14.390 25.380 -5.030 1.00 0.00 C ATOM 569 NE ARG A 63 -14.500 26.210 -6.250 1.00 0.00 N ATOM 570 CZ ARG A 63 -15.000 25.820 -7.420 1.00 0.00 C ATOM 571 NH1 ARG A 63 -15.540 24.620 -7.580 1.00 0.00 N ATOM 572 NH2 ARG A 63 -15.000 26.650 -8.450 1.00 0.00 N ATOM 0 H ARG A 63 -11.263 24.811 -4.280 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.730 26.997 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.220 24.386 -3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -13.802 25.520 -1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -14.723 26.836 -3.483 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.176 26.994 -4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.703 24.550 -5.194 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -15.357 24.947 -4.775 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.161 27.170 -6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.580 23.970 -6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.916 24.347 -8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.617 27.590 -8.348 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.383 26.350 -9.346 1.00 0.00 H new ATOM 579 N THR A 64 -10.870 24.630 -0.800 1.00 0.00 N ATOM 580 CA THR A 64 -10.440 24.250 0.550 1.00 0.00 C ATOM 581 C THR A 64 -8.940 23.890 0.510 1.00 0.00 C ATOM 582 O THR A 64 -8.240 24.190 -0.450 1.00 0.00 O ATOM 583 CB THR A 64 -11.300 23.070 1.030 1.00 0.00 C ATOM 584 OG1 THR A 64 -11.020 21.910 0.250 1.00 0.00 O ATOM 585 CG2 THR A 64 -12.800 23.400 1.010 1.00 0.00 C ATOM 0 H THR A 64 -10.670 23.919 -1.503 1.00 0.00 H new ATOM 0 HA THR A 64 -10.572 25.073 1.253 1.00 0.00 H new ATOM 0 HB THR A 64 -11.037 22.869 2.069 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.571 21.163 0.565 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.367 22.536 1.357 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.995 24.249 1.665 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.104 23.649 -0.007 1.00 0.00 H new ATOM 588 N ARG A 65 -8.520 23.060 1.470 1.00 0.00 N ATOM 589 CA ARG A 65 -7.170 22.460 1.490 1.00 0.00 C ATOM 590 C ARG A 65 -6.790 21.680 0.230 1.00 0.00 C ATOM 591 O ARG A 65 -5.610 21.550 -0.070 1.00 0.00 O ATOM 592 CB ARG A 65 -7.030 21.560 2.710 1.00 0.00 C ATOM 593 CG ARG A 65 -6.380 22.400 3.790 1.00 0.00 C ATOM 594 CD ARG A 65 -6.120 21.580 5.040 1.00 0.00 C ATOM 595 NE ARG A 65 -7.180 21.690 6.040 1.00 0.00 N ATOM 596 CZ ARG A 65 -7.410 22.780 6.770 1.00 0.00 C ATOM 597 NH1 ARG A 65 -6.640 23.860 6.660 1.00 0.00 N ATOM 598 NH2 ARG A 65 -8.390 22.770 7.660 1.00 0.00 N ATOM 0 H ARG A 65 -9.103 22.781 2.259 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.477 23.300 1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.004 21.194 3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.422 20.685 2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.441 22.811 3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.023 23.245 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.002 20.533 4.760 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.177 21.899 5.485 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.782 20.880 6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.856 23.863 6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.834 24.684 7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.960 21.933 7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.575 23.599 8.224 1.00 0.00 H new ATOM 605 N GLY A 66 -7.830 21.300 -0.510 1.00 0.00 N ATOM 606 CA GLY A 66 -7.710 20.490 -1.720 1.00 0.00 C ATOM 607 C GLY A 66 -7.280 19.090 -1.300 1.00 0.00 C ATOM 608 O GLY A 66 -6.440 18.900 -0.420 1.00 0.00 O ATOM 0 H GLY A 66 -8.792 21.550 -0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.661 20.454 -2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.979 20.926 -2.401 1.00 0.00 H new ATOM 610 N THR A 67 -7.950 18.130 -1.910 1.00 0.00 N ATOM 611 CA THR A 67 -7.660 16.700 -1.750 1.00 0.00 C ATOM 612 C THR A 67 -6.150 16.370 -1.730 1.00 0.00 C ATOM 613 O THR A 67 -5.680 15.440 -1.070 1.00 0.00 O ATOM 614 CB THR A 67 -8.360 15.940 -2.880 1.00 0.00 C ATOM 615 OG1 THR A 67 -7.890 16.430 -4.130 1.00 0.00 O ATOM 616 CG2 THR A 67 -9.890 16.000 -2.770 1.00 0.00 C ATOM 0 H THR A 67 -8.727 18.316 -2.544 1.00 0.00 H new ATOM 0 HA THR A 67 -8.037 16.391 -0.775 1.00 0.00 H new ATOM 0 HB THR A 67 -8.109 14.883 -2.797 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.522 15.688 -4.655 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.336 15.445 -3.596 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.204 15.558 -1.824 1.00 0.00 H new ATOM 0 HG23 THR A 67 -10.217 17.039 -2.812 1.00 0.00 H new ATOM 619 N ARG A 68 -5.400 17.150 -2.500 1.00 0.00 N ATOM 620 CA ARG A 68 -3.930 17.170 -2.480 1.00 0.00 C ATOM 621 C ARG A 68 -3.330 17.050 -1.080 1.00 0.00 C ATOM 622 O ARG A 68 -3.730 17.710 -0.130 1.00 0.00 O ATOM 623 CB ARG A 68 -3.450 18.480 -3.080 1.00 0.00 C ATOM 624 CG ARG A 68 -2.860 18.250 -4.460 1.00 0.00 C ATOM 625 CD ARG A 68 -3.910 18.140 -5.570 1.00 0.00 C ATOM 626 NE ARG A 68 -3.580 19.130 -6.610 1.00 0.00 N ATOM 627 CZ ARG A 68 -4.070 19.160 -7.850 1.00 0.00 C ATOM 628 NH1 ARG A 68 -4.890 18.220 -8.280 1.00 0.00 N ATOM 629 NH2 ARG A 68 -3.750 20.150 -8.660 1.00 0.00 N ATOM 0 H ARG A 68 -5.800 17.804 -3.173 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.602 16.302 -3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.281 19.182 -3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.702 18.932 -2.429 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.180 19.069 -4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.265 17.337 -4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.916 17.134 -5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.907 18.325 -5.171 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.915 19.861 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.158 17.455 -7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.256 18.258 -9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.128 20.892 -8.338 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.124 20.174 -9.609 1.00 0.00 H new ATOM 636 N ARG A 69 -2.420 16.100 -1.020 1.00 0.00 N ATOM 637 CA ARG A 69 -1.750 15.730 0.230 1.00 0.00 C ATOM 638 C ARG A 69 -0.430 15.020 -0.070 1.00 0.00 C ATOM 639 O ARG A 69 -0.350 14.190 -0.980 1.00 0.00 O ATOM 640 CB ARG A 69 -2.680 14.790 1.010 1.00 0.00 C ATOM 641 CG ARG A 69 -3.130 15.310 2.360 1.00 0.00 C ATOM 642 CD ARG A 69 -1.930 15.450 3.300 1.00 0.00 C ATOM 643 NE ARG A 69 -2.250 14.750 4.550 1.00 0.00 N ATOM 644 CZ ARG A 69 -3.000 15.220 5.540 1.00 0.00 C ATOM 645 NH1 ARG A 69 -3.550 16.410 5.540 1.00 0.00 N ATOM 646 NH2 ARG A 69 -3.220 14.460 6.590 1.00 0.00 N ATOM 0 H ARG A 69 -2.118 15.558 -1.829 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.534 16.623 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.562 14.590 0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.170 13.838 1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.622 16.275 2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.863 14.630 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.036 15.025 2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.719 16.501 3.495 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.860 13.815 4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.412 17.036 4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.116 16.710 6.334 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.817 13.524 6.636 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.794 14.806 7.359 1.00 0.00 H new ATOM 653 N ILE A 70 0.580 15.470 0.660 1.00 0.00 N ATOM 654 CA ILE A 70 1.930 14.890 0.590 1.00 0.00 C ATOM 655 C ILE A 70 2.210 14.200 1.920 1.00 0.00 C ATOM 656 O ILE A 70 2.010 14.750 3.000 1.00 0.00 O ATOM 657 CB ILE A 70 2.980 15.930 0.190 1.00 0.00 C ATOM 658 CG1 ILE A 70 2.940 16.040 -1.340 1.00 0.00 C ATOM 659 CG2 ILE A 70 4.400 15.660 0.720 1.00 0.00 C ATOM 660 CD1 ILE A 70 3.920 17.010 -2.010 1.00 0.00 C ATOM 0 H ILE A 70 0.496 16.245 1.318 1.00 0.00 H new ATOM 0 HA ILE A 70 1.988 14.144 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 70 2.725 16.878 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.116 15.047 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.930 16.330 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.070 16.451 0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.383 15.637 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.753 14.700 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.778 16.982 -3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.738 18.021 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.942 16.717 -1.771 1.00 0.00 H new ATOM 662 N ILE A 71 2.710 12.980 1.770 1.00 0.00 N ATOM 663 CA ILE A 71 3.040 12.140 2.920 1.00 0.00 C ATOM 664 C ILE A 71 4.530 11.800 2.830 1.00 0.00 C ATOM 665 O ILE A 71 4.960 11.110 1.910 1.00 0.00 O ATOM 666 CB ILE A 71 2.190 10.860 2.930 1.00 0.00 C ATOM 667 CG1 ILE A 71 0.690 11.110 2.650 1.00 0.00 C ATOM 668 CG2 ILE A 71 2.410 10.140 4.260 1.00 0.00 C ATOM 669 CD1 ILE A 71 0.000 12.100 3.590 1.00 0.00 C ATOM 0 H ILE A 71 2.897 12.548 0.865 1.00 0.00 H new ATOM 0 HA ILE A 71 2.825 12.671 3.847 1.00 0.00 H new ATOM 0 HB ILE A 71 2.520 10.228 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.585 11.473 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.164 10.157 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.813 9.228 4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.465 9.886 4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.109 10.792 5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.047 12.202 3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.064 11.734 4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.491 13.071 3.520 1.00 0.00 H new ATOM 671 N THR A 72 5.320 12.470 3.630 1.00 0.00 N ATOM 672 CA THR A 72 6.770 12.240 3.680 1.00 0.00 C ATOM 673 C THR A 72 7.130 11.150 4.690 1.00 0.00 C ATOM 674 O THR A 72 6.320 10.780 5.540 1.00 0.00 O ATOM 675 CB THR A 72 7.490 13.550 4.000 1.00 0.00 C ATOM 676 OG1 THR A 72 6.790 14.130 5.100 1.00 0.00 O ATOM 677 CG2 THR A 72 7.550 14.470 2.790 1.00 0.00 C ATOM 0 H THR A 72 4.992 13.193 4.270 1.00 0.00 H new ATOM 0 HA THR A 72 7.098 11.888 2.702 1.00 0.00 H new ATOM 0 HB THR A 72 8.533 13.376 4.265 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.010 15.083 5.162 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.069 15.390 3.058 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.086 13.973 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.538 14.707 2.462 1.00 0.00 H new ATOM 680 N GLY A 73 8.330 10.630 4.510 1.00 0.00 N ATOM 681 CA GLY A 73 8.900 9.560 5.350 1.00 0.00 C ATOM 682 C GLY A 73 10.140 10.090 6.080 1.00 0.00 C ATOM 683 O GLY A 73 10.750 11.080 5.660 1.00 0.00 O ATOM 0 H GLY A 73 8.957 10.936 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.159 9.216 6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.167 8.702 4.733 1.00 0.00 H new ATOM 685 N GLU A 74 10.550 9.350 7.100 1.00 0.00 N ATOM 686 CA GLU A 74 11.780 9.670 7.860 1.00 0.00 C ATOM 687 C GLU A 74 13.060 9.540 7.000 1.00 0.00 C ATOM 688 O GLU A 74 14.130 10.030 7.370 1.00 0.00 O ATOM 689 CB GLU A 74 11.870 8.760 9.080 1.00 0.00 C ATOM 690 CG GLU A 74 12.940 9.160 10.090 1.00 0.00 C ATOM 691 CD GLU A 74 12.300 9.570 11.420 1.00 0.00 C ATOM 692 OE1 GLU A 74 11.640 10.630 11.430 1.00 0.00 O ATOM 693 OE2 GLU A 74 12.430 8.770 12.370 1.00 0.00 O ATOM 0 H GLU A 74 10.058 8.520 7.431 1.00 0.00 H new ATOM 0 HA GLU A 74 11.715 10.712 8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.902 8.748 9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.068 7.742 8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.625 8.327 10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.530 9.986 9.694 1.00 0.00 H new ATOM 695 N ALA A 75 12.910 8.870 5.870 1.00 0.00 N ATOM 696 CA ALA A 75 13.970 8.770 4.860 1.00 0.00 C ATOM 697 C ALA A 75 13.630 9.710 3.700 1.00 0.00 C ATOM 698 O ALA A 75 12.490 9.770 3.230 1.00 0.00 O ATOM 699 CB ALA A 75 14.090 7.320 4.380 1.00 0.00 C ATOM 0 H ALA A 75 12.053 8.377 5.619 1.00 0.00 H new ATOM 0 HA ALA A 75 14.930 9.063 5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.878 7.249 3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.334 6.676 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.143 7.002 3.943 1.00 0.00 H new ATOM 701 N THR A 76 14.620 10.500 3.320 1.00 0.00 N ATOM 702 CA THR A 76 14.520 11.400 2.160 1.00 0.00 C ATOM 703 C THR A 76 14.150 10.550 0.940 1.00 0.00 C ATOM 704 O THR A 76 14.560 9.390 0.820 1.00 0.00 O ATOM 705 CB THR A 76 15.840 12.190 1.990 1.00 0.00 C ATOM 706 OG1 THR A 76 15.830 13.200 2.990 1.00 0.00 O ATOM 707 CG2 THR A 76 16.080 12.850 0.620 1.00 0.00 C ATOM 0 H THR A 76 15.519 10.543 3.800 1.00 0.00 H new ATOM 0 HA THR A 76 13.742 12.151 2.295 1.00 0.00 H new ATOM 0 HB THR A 76 16.650 11.466 2.078 1.00 0.00 H new ATOM 0 HG1 THR A 76 16.651 13.731 2.926 1.00 0.00 H new ATOM 0 HG21 THR A 76 17.037 13.371 0.630 1.00 0.00 H new ATOM 0 HG22 THR A 76 16.092 12.084 -0.156 1.00 0.00 H new ATOM 0 HG23 THR A 76 15.281 13.562 0.414 1.00 0.00 H new ATOM 710 N GLN A 77 13.310 11.150 0.100 1.00 0.00 N ATOM 711 CA GLN A 77 12.760 10.590 -1.170 1.00 0.00 C ATOM 712 C GLN A 77 11.600 9.610 -0.900 1.00 0.00 C ATOM 713 O GLN A 77 11.310 8.700 -1.670 1.00 0.00 O ATOM 714 CB GLN A 77 13.810 9.930 -2.100 1.00 0.00 C ATOM 715 CG GLN A 77 15.220 10.540 -2.010 1.00 0.00 C ATOM 716 CD GLN A 77 15.870 10.850 -3.350 1.00 0.00 C ATOM 717 OE1 GLN A 77 16.060 10.010 -4.210 1.00 0.00 O ATOM 718 NE2 GLN A 77 16.250 12.100 -3.490 1.00 0.00 N ATOM 0 H GLN A 77 12.965 12.093 0.281 1.00 0.00 H new ATOM 0 HA GLN A 77 12.387 11.460 -1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 77 13.872 8.868 -1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.461 10.004 -3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.166 11.460 -1.427 1.00 0.00 H new ATOM 0 HG3 GLN A 77 15.863 9.852 -1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.072 12.774 -2.745 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.723 12.397 -4.344 1.00 0.00 H new ATOM 722 N GLU A 78 10.870 9.900 0.180 1.00 0.00 N ATOM 723 CA GLU A 78 9.690 9.120 0.600 1.00 0.00 C ATOM 724 C GLU A 78 8.440 9.990 0.770 1.00 0.00 C ATOM 725 O GLU A 78 7.720 9.940 1.760 1.00 0.00 O ATOM 726 CB GLU A 78 9.980 8.290 1.850 1.00 0.00 C ATOM 727 CG GLU A 78 10.900 7.110 1.540 1.00 0.00 C ATOM 728 CD GLU A 78 10.640 5.980 2.530 1.00 0.00 C ATOM 729 OE1 GLU A 78 9.670 5.240 2.300 1.00 0.00 O ATOM 730 OE2 GLU A 78 11.400 5.890 3.520 1.00 0.00 O ATOM 0 H GLU A 78 11.078 10.687 0.795 1.00 0.00 H new ATOM 0 HA GLU A 78 9.471 8.424 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.441 8.922 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.043 7.922 2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.728 6.761 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.942 7.424 1.598 1.00 0.00 H new ATOM 732 N ASP A 79 8.200 10.800 -0.250 1.00 0.00 N ATOM 733 CA ASP A 79 7.070 11.740 -0.340 1.00 0.00 C ATOM 734 C ASP A 79 6.010 11.170 -1.280 1.00 0.00 C ATOM 735 O ASP A 79 6.290 10.970 -2.450 1.00 0.00 O ATOM 736 CB ASP A 79 7.510 13.140 -0.800 1.00 0.00 C ATOM 737 CG ASP A 79 8.760 13.200 -1.690 1.00 0.00 C ATOM 738 OD1 ASP A 79 9.010 12.240 -2.460 1.00 0.00 O ATOM 739 OD2 ASP A 79 9.510 14.190 -1.520 1.00 0.00 O ATOM 0 H ASP A 79 8.803 10.829 -1.072 1.00 0.00 H new ATOM 0 HA ASP A 79 6.650 11.858 0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.682 13.599 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.690 13.750 0.085 1.00 0.00 H new ATOM 741 N TYR A 80 4.910 10.740 -0.680 1.00 0.00 N ATOM 742 CA TYR A 80 3.780 10.100 -1.370 1.00 0.00 C ATOM 743 C TYR A 80 2.700 11.140 -1.650 1.00 0.00 C ATOM 744 O TYR A 80 2.320 11.910 -0.770 1.00 0.00 O ATOM 745 CB TYR A 80 3.200 9.020 -0.450 1.00 0.00 C ATOM 746 CG TYR A 80 4.280 8.090 0.120 1.00 0.00 C ATOM 747 CD1 TYR A 80 4.620 6.940 -0.600 1.00 0.00 C ATOM 748 CD2 TYR A 80 4.830 8.360 1.390 1.00 0.00 C ATOM 749 CE1 TYR A 80 5.530 6.020 -0.030 1.00 0.00 C ATOM 750 CE2 TYR A 80 5.740 7.450 1.970 1.00 0.00 C ATOM 751 CZ TYR A 80 6.070 6.290 1.250 1.00 0.00 C ATOM 752 OH TYR A 80 6.900 5.380 1.810 1.00 0.00 O ATOM 0 H TYR A 80 4.767 10.825 0.326 1.00 0.00 H new ATOM 0 HA TYR A 80 4.117 9.663 -2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.665 9.496 0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.471 8.428 -1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.194 6.758 -1.576 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.556 9.261 1.918 1.00 0.00 H new ATOM 0 HE1 TYR A 80 5.809 5.124 -0.564 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.171 7.641 2.942 1.00 0.00 H new ATOM 0 HH TYR A 80 7.821 5.712 1.774 1.00 0.00 H new ATOM 755 N TYR A 81 2.230 11.130 -2.880 1.00 0.00 N ATOM 756 CA TYR A 81 1.240 12.110 -3.340 1.00 0.00 C ATOM 757 C TYR A 81 -0.100 11.430 -3.570 1.00 0.00 C ATOM 758 O TYR A 81 -0.210 10.490 -4.360 1.00 0.00 O ATOM 759 CB TYR A 81 1.680 12.730 -4.670 1.00 0.00 C ATOM 760 CG TYR A 81 1.040 14.100 -4.870 1.00 0.00 C ATOM 761 CD1 TYR A 81 -0.270 14.220 -5.370 1.00 0.00 C ATOM 762 CD2 TYR A 81 1.870 15.220 -4.660 1.00 0.00 C ATOM 763 CE1 TYR A 81 -0.760 15.500 -5.690 1.00 0.00 C ATOM 764 CE2 TYR A 81 1.380 16.490 -4.990 1.00 0.00 C ATOM 765 CZ TYR A 81 0.070 16.620 -5.510 1.00 0.00 C ATOM 766 OH TYR A 81 -0.290 17.820 -6.030 1.00 0.00 O ATOM 0 H TYR A 81 2.513 10.455 -3.590 1.00 0.00 H new ATOM 0 HA TYR A 81 1.153 12.881 -2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.766 12.825 -4.690 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.402 12.071 -5.493 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.889 13.345 -5.506 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.863 15.101 -4.253 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.764 15.620 -6.070 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.998 17.364 -4.849 1.00 0.00 H new ATOM 0 HH TYR A 81 0.393 18.488 -5.814 1.00 0.00 H new ATOM 769 N THR A 82 -1.100 11.990 -2.930 1.00 0.00 N ATOM 770 CA THR A 82 -2.480 11.510 -3.100 1.00 0.00 C ATOM 771 C THR A 82 -3.190 12.190 -4.280 1.00 0.00 C ATOM 772 O THR A 82 -3.430 11.590 -5.320 1.00 0.00 O ATOM 773 CB THR A 82 -3.310 11.470 -1.780 1.00 0.00 C ATOM 774 OG1 THR A 82 -4.540 12.190 -1.900 1.00 0.00 O ATOM 775 CG2 THR A 82 -2.570 11.830 -0.500 1.00 0.00 C ATOM 0 H THR A 82 -1.000 12.775 -2.287 1.00 0.00 H new ATOM 0 HA THR A 82 -2.400 10.458 -3.374 1.00 0.00 H new ATOM 0 HB THR A 82 -3.529 10.409 -1.657 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.634 12.806 -1.143 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.254 11.765 0.346 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.742 11.137 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.183 12.846 -0.577 1.00 0.00 H new ATOM 778 N GLY A 83 -3.450 13.480 -4.100 1.00 0.00 N ATOM 779 CA GLY A 83 -4.270 14.280 -5.040 1.00 0.00 C ATOM 780 C GLY A 83 -5.750 13.870 -5.060 1.00 0.00 C ATOM 781 O GLY A 83 -6.540 14.460 -5.800 1.00 0.00 O ATOM 0 H GLY A 83 -3.104 14.013 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.196 15.333 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.859 14.180 -6.045 1.00 0.00 H new ATOM 783 N ASP A 84 -6.120 12.900 -4.220 1.00 0.00 N ATOM 784 CA ASP A 84 -7.510 12.430 -4.050 1.00 0.00 C ATOM 785 C ASP A 84 -7.940 12.380 -2.570 1.00 0.00 C ATOM 786 O ASP A 84 -9.030 11.930 -2.250 1.00 0.00 O ATOM 787 CB ASP A 84 -7.670 11.060 -4.720 1.00 0.00 C ATOM 788 CG ASP A 84 -9.130 10.700 -5.060 1.00 0.00 C ATOM 789 OD1 ASP A 84 -9.950 10.500 -4.150 1.00 0.00 O ATOM 790 OD2 ASP A 84 -9.390 10.580 -6.280 1.00 0.00 O ATOM 0 H ASP A 84 -5.455 12.406 -3.625 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.171 13.150 -4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.079 11.042 -5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.261 10.294 -4.061 1.00 0.00 H new ATOM 792 N HIS A 85 -7.150 13.000 -1.690 1.00 0.00 N ATOM 793 CA HIS A 85 -7.360 13.080 -0.230 1.00 0.00 C ATOM 794 C HIS A 85 -7.290 11.710 0.420 1.00 0.00 C ATOM 795 O HIS A 85 -8.290 11.000 0.520 1.00 0.00 O ATOM 796 CB HIS A 85 -8.700 13.760 0.080 1.00 0.00 C ATOM 797 CG HIS A 85 -8.790 14.210 1.520 1.00 0.00 C ATOM 798 ND1 HIS A 85 -9.390 13.540 2.490 1.00 0.00 N ATOM 799 CD2 HIS A 85 -8.360 15.370 1.990 1.00 0.00 C ATOM 800 CE1 HIS A 85 -9.340 14.280 3.590 1.00 0.00 C ATOM 801 NE2 HIS A 85 -8.700 15.410 3.270 1.00 0.00 N ATOM 0 H HIS A 85 -6.303 13.486 -1.984 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.555 13.683 0.191 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -8.830 14.620 -0.577 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -9.515 13.069 -0.135 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -7.834 16.135 1.438 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -9.740 14.020 4.559 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -8.505 16.180 3.910 1.00 0.00 H new ATOM 805 N TYR A 86 -6.060 11.310 0.720 1.00 0.00 N ATOM 806 CA TYR A 86 -5.810 9.960 1.270 1.00 0.00 C ATOM 807 C TYR A 86 -6.440 8.810 0.480 1.00 0.00 C ATOM 808 O TYR A 86 -6.840 7.790 1.020 1.00 0.00 O ATOM 809 CB TYR A 86 -6.300 9.930 2.720 1.00 0.00 C ATOM 810 CG TYR A 86 -5.300 10.530 3.700 1.00 0.00 C ATOM 811 CD1 TYR A 86 -3.940 10.180 3.560 1.00 0.00 C ATOM 812 CD2 TYR A 86 -5.770 11.370 4.730 1.00 0.00 C ATOM 813 CE1 TYR A 86 -3.020 10.690 4.480 1.00 0.00 C ATOM 814 CE2 TYR A 86 -4.850 11.860 5.670 1.00 0.00 C ATOM 815 CZ TYR A 86 -3.490 11.500 5.530 1.00 0.00 C ATOM 816 OH TYR A 86 -2.600 11.790 6.500 1.00 0.00 O ATOM 0 H TYR A 86 -5.224 11.882 0.599 1.00 0.00 H new ATOM 0 HA TYR A 86 -4.736 9.791 1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -7.241 10.475 2.791 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.507 8.899 3.006 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.617 9.532 2.759 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.816 11.631 4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.968 10.466 4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.173 12.497 6.480 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.350 10.968 6.971 1.00 0.00 H new ATOM 819 N ALA A 87 -6.590 9.000 -0.820 1.00 0.00 N ATOM 820 CA ALA A 87 -7.240 7.970 -1.640 1.00 0.00 C ATOM 821 C ALA A 87 -6.300 7.280 -2.630 1.00 0.00 C ATOM 822 O ALA A 87 -6.660 6.280 -3.250 1.00 0.00 O ATOM 823 CB ALA A 87 -8.470 8.560 -2.310 1.00 0.00 C ATOM 0 H ALA A 87 -6.283 9.830 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.552 7.166 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -8.954 7.797 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.166 8.911 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -8.173 9.396 -2.944 1.00 0.00 H new ATOM 825 N THR A 88 -5.070 7.770 -2.650 1.00 0.00 N ATOM 826 CA THR A 88 -3.990 7.370 -3.580 1.00 0.00 C ATOM 827 C THR A 88 -2.660 7.880 -3.020 1.00 0.00 C ATOM 828 O THR A 88 -2.660 8.620 -2.040 1.00 0.00 O ATOM 829 CB THR A 88 -4.220 8.000 -4.960 1.00 0.00 C ATOM 830 OG1 THR A 88 -4.730 9.320 -4.780 1.00 0.00 O ATOM 831 CG2 THR A 88 -5.170 7.160 -5.830 1.00 0.00 C ATOM 0 H THR A 88 -4.769 8.491 -1.994 1.00 0.00 H new ATOM 0 HA THR A 88 -3.979 6.285 -3.681 1.00 0.00 H new ATOM 0 HB THR A 88 -3.268 8.036 -5.490 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.147 9.961 -5.238 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.303 7.645 -6.797 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.746 6.167 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.136 7.072 -5.333 1.00 0.00 H new ATOM 834 N PHE A 89 -1.560 7.310 -3.490 1.00 0.00 N ATOM 835 CA PHE A 89 -0.200 7.590 -2.980 1.00 0.00 C ATOM 836 C PHE A 89 0.820 7.220 -4.060 1.00 0.00 C ATOM 837 O PHE A 89 0.880 6.070 -4.510 1.00 0.00 O ATOM 838 CB PHE A 89 0.130 6.790 -1.710 1.00 0.00 C ATOM 839 CG PHE A 89 -0.850 7.060 -0.570 1.00 0.00 C ATOM 840 CD1 PHE A 89 -0.660 8.160 0.300 1.00 0.00 C ATOM 841 CD2 PHE A 89 -2.000 6.230 -0.460 1.00 0.00 C ATOM 842 CE1 PHE A 89 -1.620 8.420 1.300 1.00 0.00 C ATOM 843 CE2 PHE A 89 -2.970 6.520 0.520 1.00 0.00 C ATOM 844 CZ PHE A 89 -2.770 7.600 1.400 1.00 0.00 C ATOM 0 H PHE A 89 -1.573 6.628 -4.248 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.157 8.650 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.123 5.726 -1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.139 7.038 -1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.210 8.793 0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.128 5.386 -1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.479 9.241 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.862 5.917 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.505 7.807 2.164 1.00 0.00 H new ATOM 846 N SER A 90 1.440 8.270 -4.560 1.00 0.00 N ATOM 847 CA SER A 90 2.430 8.150 -5.630 1.00 0.00 C ATOM 848 C SER A 90 3.680 8.940 -5.260 1.00 0.00 C ATOM 849 O SER A 90 3.620 10.160 -5.100 1.00 0.00 O ATOM 850 CB SER A 90 1.920 8.680 -6.970 1.00 0.00 C ATOM 851 OG SER A 90 0.520 8.380 -7.130 1.00 0.00 O ATOM 0 H SER A 90 1.279 9.226 -4.244 1.00 0.00 H new ATOM 0 HA SER A 90 2.644 7.087 -5.740 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.076 9.757 -7.025 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.489 8.233 -7.785 1.00 0.00 H new ATOM 0 HG SER A 90 0.207 8.727 -7.992 1.00 0.00 H new ATOM 854 N LEU A 91 4.730 8.200 -4.910 1.00 0.00 N ATOM 855 CA LEU A 91 6.040 8.790 -4.550 1.00 0.00 C ATOM 856 C LEU A 91 6.430 9.940 -5.490 1.00 0.00 C ATOM 857 O LEU A 91 5.970 10.010 -6.620 1.00 0.00 O ATOM 858 CB LEU A 91 7.160 7.740 -4.560 1.00 0.00 C ATOM 859 CG LEU A 91 7.270 6.930 -3.270 1.00 0.00 C ATOM 860 CD1 LEU A 91 8.370 5.880 -3.390 1.00 0.00 C ATOM 861 CD2 LEU A 91 7.620 7.860 -2.110 1.00 0.00 C ATOM 0 H LEU A 91 4.709 7.181 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 91 5.924 9.181 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.994 7.056 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 91 8.111 8.241 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 91 6.313 6.439 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.434 5.312 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.139 5.204 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.324 6.372 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.698 7.281 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.572 8.351 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.840 8.613 -1.999 1.00 0.00 H new ATOM 863 N ILE A 92 7.270 10.860 -5.050 1.00 0.00 N ATOM 864 CA ILE A 92 7.650 12.000 -5.890 1.00 0.00 C ATOM 865 C ILE A 92 9.060 11.750 -6.460 1.00 0.00 C ATOM 866 O ILE A 92 10.040 11.720 -5.730 1.00 0.00 O ATOM 867 CB ILE A 92 7.480 13.310 -5.090 1.00 0.00 C ATOM 868 CG1 ILE A 92 6.040 13.800 -5.030 1.00 0.00 C ATOM 869 CG2 ILE A 92 8.300 14.470 -5.660 1.00 0.00 C ATOM 870 CD1 ILE A 92 5.130 13.170 -3.990 1.00 0.00 C ATOM 0 H ILE A 92 7.703 10.848 -4.126 1.00 0.00 H new ATOM 0 HA ILE A 92 6.996 12.110 -6.755 1.00 0.00 H new ATOM 0 HB ILE A 92 7.831 13.039 -4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.057 14.876 -4.855 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.590 13.644 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 92 8.138 15.362 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.358 14.209 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.988 14.666 -6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.136 13.613 -4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.063 12.097 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.537 13.348 -2.995 1.00 0.00 H new ATOM 872 N ASP A 93 9.130 11.530 -7.760 1.00 0.00 N ATOM 873 CA ASP A 93 10.410 11.370 -8.470 1.00 0.00 C ATOM 874 C ASP A 93 11.010 12.740 -8.790 1.00 0.00 C ATOM 875 O ASP A 93 10.810 13.300 -9.870 1.00 0.00 O ATOM 876 CB ASP A 93 10.250 10.540 -9.760 1.00 0.00 C ATOM 877 CG ASP A 93 11.050 9.230 -9.750 1.00 0.00 C ATOM 878 OD1 ASP A 93 12.050 9.170 -9.000 1.00 0.00 O ATOM 879 OD2 ASP A 93 10.630 8.310 -10.480 1.00 0.00 O ATOM 0 H ASP A 93 8.310 11.455 -8.362 1.00 0.00 H new ATOM 0 HA ASP A 93 11.088 10.826 -7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.194 10.310 -9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.566 11.143 -10.612 1.00 0.00 H new ATOM 881 N GLN A 94 11.740 13.260 -7.810 1.00 0.00 N ATOM 882 CA GLN A 94 12.420 14.570 -7.930 1.00 0.00 C ATOM 883 C GLN A 94 13.600 14.490 -8.910 1.00 0.00 C ATOM 884 O GLN A 94 13.800 15.400 -9.710 1.00 0.00 O ATOM 885 CB GLN A 94 12.940 15.080 -6.580 1.00 0.00 C ATOM 886 CG GLN A 94 11.930 15.000 -5.440 1.00 0.00 C ATOM 887 CD GLN A 94 12.480 14.050 -4.370 1.00 0.00 C ATOM 888 OE1 GLN A 94 13.330 14.380 -3.570 1.00 0.00 O ATOM 889 NE2 GLN A 94 12.060 12.800 -4.380 1.00 0.00 N ATOM 0 H GLN A 94 11.884 12.799 -6.911 1.00 0.00 H new ATOM 0 HA GLN A 94 11.671 15.268 -8.303 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.824 14.505 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.257 16.117 -6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.758 15.989 -5.016 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.970 14.640 -5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.346 12.507 -5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.449 12.126 -3.721 1.00 0.00 H new ATOM 893 N THR A 95 14.230 13.310 -8.940 1.00 0.00 N ATOM 894 CA THR A 95 15.300 12.930 -9.890 1.00 0.00 C ATOM 895 C THR A 95 14.880 13.070 -11.370 1.00 0.00 C ATOM 896 O THR A 95 15.700 13.310 -12.250 1.00 0.00 O ATOM 897 CB THR A 95 15.860 11.520 -9.600 1.00 0.00 C ATOM 898 OG1 THR A 95 16.770 11.130 -10.630 1.00 0.00 O ATOM 899 CG2 THR A 95 14.790 10.440 -9.410 1.00 0.00 C ATOM 0 H THR A 95 14.006 12.562 -8.283 1.00 0.00 H new ATOM 0 HA THR A 95 16.103 13.649 -9.727 1.00 0.00 H new ATOM 0 HB THR A 95 16.377 11.599 -8.644 1.00 0.00 H new ATOM 0 HG1 THR A 95 17.120 10.236 -10.436 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.271 9.482 -9.211 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.150 10.706 -8.569 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.187 10.362 -10.315 1.00 0.00 H new ATOM 902 N CYS A 96 13.570 13.030 -11.600 1.00 0.00 N ATOM 903 CA CYS A 96 13.020 13.200 -12.960 1.00 0.00 C ATOM 904 C CYS A 96 13.130 14.680 -13.420 1.00 0.00 C ATOM 905 O CYS A 96 13.450 14.870 -14.610 1.00 0.00 O ATOM 906 CB CYS A 96 11.580 12.720 -12.900 1.00 0.00 C ATOM 907 SG CYS A 96 10.910 12.080 -14.470 1.00 0.00 S ATOM 908 OXT CYS A 96 12.810 15.560 -12.590 1.00 0.00 O ATOM 0 H CYS A 96 12.867 12.883 -10.875 1.00 0.00 H new ATOM 0 HA CYS A 96 13.579 12.622 -13.696 1.00 0.00 H new ATOM 0 HB2 CYS A 96 11.506 11.937 -12.146 1.00 0.00 H new ATOM 0 HB3 CYS A 96 10.952 13.546 -12.565 1.00 0.00 H new TER 910 CYS A 96