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 77 GLN : amide:sc= -0.231 K(o=-2.9,f=-4.5) USER MOD Set 1.2: A 94 GLN : amide:sc= -2.71! C(o=-2.9!,f=-0.84!) USER MOD Set 2.1: A 46 THR OG1 : rot 114:sc= 0.767 USER MOD Set 2.2: A 52 TYR OH : rot -141:sc= -0.282 USER MOD Set 2.3: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 32 GLN : amide:sc= -6.13! K(o=-7!,f=-4.2) USER MOD Set 3.2: A 56 THR OG1 : rot -120:sc= -0.873 USER MOD Single : A 1 ASP N :NH3+ 146:sc= 0.0401 (180deg=-0.0518) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc=1.41e-06 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.684 USER MOD Single : A 18 THR OG1 : rot -143:sc= -1.45! USER MOD Single : A 20 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.24) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.315 K(o=-0.32,f=0.32) USER MOD Single : A 39 ASN : amide:sc= -2.91 K(o=-2.9,f=-7.1!) USER MOD Single : A 42 SER OG : rot -50:sc= 0.416 USER MOD Single : A 47 GLN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 48 SER OG : rot -169:sc= -0.15 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= -1.53 K(o=-1.5,f=-2.8) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 90:sc= -1.85! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.072 USER MOD Single : A 67 THR OG1 : rot 106:sc= 0.232 USER MOD Single : A 72 THR OG1 : rot -140:sc= 0.182 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -130:sc= -0.496 USER MOD Single : A 82 THR OG1 : rot -83:sc= 0.294 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 86 TYR OH : rot -61:sc= 1.46 USER MOD Single : A 88 THR OG1 : rot 109:sc= 0.676 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.230 0.010 0.010 1.00 0.00 N ATOM 2 CA ASP A 1 2.040 0.060 -1.220 1.00 0.00 C ATOM 3 C ASP A 1 3.520 0.260 -0.900 1.00 0.00 C ATOM 4 O ASP A 1 3.890 0.580 0.230 1.00 0.00 O ATOM 5 CB ASP A 1 1.500 1.120 -2.190 1.00 0.00 C ATOM 6 CG ASP A 1 1.260 2.470 -1.520 1.00 0.00 C ATOM 7 OD1 ASP A 1 2.230 3.260 -1.490 1.00 0.00 O ATOM 8 OD2 ASP A 1 0.110 2.680 -1.080 1.00 0.00 O ATOM 0 H1 ASP A 1 0.299 0.438 -0.170 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.105 -0.980 0.303 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.713 0.536 0.766 1.00 0.00 H new ATOM 0 HA ASP A 1 1.957 -0.903 -1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 1 2.206 1.248 -3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.566 0.765 -2.625 1.00 0.00 H new ATOM 12 N VAL A 2 4.350 0.100 -1.930 1.00 0.00 N ATOM 13 CA VAL A 2 5.800 0.320 -1.840 1.00 0.00 C ATOM 14 C VAL A 2 6.050 1.650 -1.120 1.00 0.00 C ATOM 15 O VAL A 2 5.480 2.670 -1.480 1.00 0.00 O ATOM 16 CB VAL A 2 6.410 0.390 -3.250 1.00 0.00 C ATOM 17 CG1 VAL A 2 7.930 0.370 -3.250 1.00 0.00 C ATOM 18 CG2 VAL A 2 6.010 -0.850 -4.040 1.00 0.00 C ATOM 0 H VAL A 2 4.037 -0.187 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 2 6.260 -0.502 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 2 6.045 1.324 -3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.295 0.422 -4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.305 1.225 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.282 -0.552 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.443 -0.800 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.377 -1.741 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.924 -0.898 -4.117 1.00 0.00 H new ATOM 20 N SER A 3 6.900 1.570 -0.100 1.00 0.00 N ATOM 21 CA SER A 3 7.290 2.770 0.690 1.00 0.00 C ATOM 22 C SER A 3 8.230 3.710 -0.070 1.00 0.00 C ATOM 23 O SER A 3 8.700 4.720 0.460 1.00 0.00 O ATOM 24 CB SER A 3 7.920 2.390 2.030 1.00 0.00 C ATOM 25 OG SER A 3 6.890 2.180 3.000 1.00 0.00 O ATOM 0 H SER A 3 7.337 0.702 0.209 1.00 0.00 H new ATOM 0 HA SER A 3 6.359 3.307 0.873 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.519 1.486 1.919 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.593 3.179 2.364 1.00 0.00 H new ATOM 0 HG SER A 3 7.294 1.935 3.858 1.00 0.00 H new ATOM 28 N GLY A 4 8.470 3.370 -1.330 1.00 0.00 N ATOM 29 CA GLY A 4 9.340 4.120 -2.240 1.00 0.00 C ATOM 30 C GLY A 4 10.440 3.200 -2.770 1.00 0.00 C ATOM 31 O GLY A 4 10.540 2.040 -2.420 1.00 0.00 O ATOM 0 H GLY A 4 8.056 2.544 -1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.757 4.522 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.782 4.970 -1.720 1.00 0.00 H new ATOM 33 N THR A 5 11.130 3.720 -3.770 1.00 0.00 N ATOM 34 CA THR A 5 12.210 2.990 -4.450 1.00 0.00 C ATOM 35 C THR A 5 13.480 2.990 -3.580 1.00 0.00 C ATOM 36 O THR A 5 13.510 3.550 -2.480 1.00 0.00 O ATOM 37 CB THR A 5 12.420 3.670 -5.820 1.00 0.00 C ATOM 38 OG1 THR A 5 11.130 3.990 -6.360 1.00 0.00 O ATOM 39 CG2 THR A 5 13.080 2.760 -6.850 1.00 0.00 C ATOM 0 H THR A 5 10.966 4.656 -4.140 1.00 0.00 H new ATOM 0 HA THR A 5 11.957 1.942 -4.607 1.00 0.00 H new ATOM 0 HB THR A 5 13.060 4.535 -5.645 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.239 4.425 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.198 3.300 -7.790 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.059 2.448 -6.485 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.456 1.881 -7.012 1.00 0.00 H new ATOM 42 N VAL A 6 14.480 2.270 -4.040 1.00 0.00 N ATOM 43 CA VAL A 6 15.730 2.060 -3.310 1.00 0.00 C ATOM 44 C VAL A 6 16.870 2.120 -4.320 1.00 0.00 C ATOM 45 O VAL A 6 16.900 1.400 -5.320 1.00 0.00 O ATOM 46 CB VAL A 6 15.650 0.760 -2.470 1.00 0.00 C ATOM 47 CG1 VAL A 6 16.090 -0.520 -3.170 1.00 0.00 C ATOM 48 CG2 VAL A 6 16.430 0.930 -1.170 1.00 0.00 C ATOM 0 H VAL A 6 14.456 1.802 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 6 15.918 2.840 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 6 14.585 0.622 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.990 -1.362 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.464 -0.689 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 6 17.131 -0.426 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 6 16.368 0.012 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.474 1.146 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.006 1.754 -0.596 1.00 0.00 H new ATOM 50 N CYS A 7 17.610 3.210 -4.190 1.00 0.00 N ATOM 51 CA CYS A 7 18.800 3.410 -5.020 1.00 0.00 C ATOM 52 C CYS A 7 19.640 2.130 -5.020 1.00 0.00 C ATOM 53 O CYS A 7 19.840 1.510 -3.980 1.00 0.00 O ATOM 54 CB CYS A 7 19.600 4.590 -4.470 1.00 0.00 C ATOM 55 SG CYS A 7 18.640 6.150 -4.510 1.00 0.00 S ATOM 0 H CYS A 7 17.417 3.963 -3.530 1.00 0.00 H new ATOM 0 HA CYS A 7 18.512 3.632 -6.048 1.00 0.00 H new ATOM 0 HB2 CYS A 7 19.902 4.377 -3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 7 20.513 4.712 -5.052 1.00 0.00 H new ATOM 57 N LEU A 8 19.930 1.630 -6.200 1.00 0.00 N ATOM 58 CA LEU A 8 20.810 0.460 -6.390 1.00 0.00 C ATOM 59 C LEU A 8 22.130 0.610 -5.620 1.00 0.00 C ATOM 60 O LEU A 8 22.530 -0.330 -4.950 1.00 0.00 O ATOM 61 CB LEU A 8 21.150 0.240 -7.860 1.00 0.00 C ATOM 62 CG LEU A 8 21.030 -1.220 -8.340 1.00 0.00 C ATOM 63 CD1 LEU A 8 22.140 -1.460 -9.360 1.00 0.00 C ATOM 64 CD2 LEU A 8 21.140 -2.310 -7.260 1.00 0.00 C ATOM 0 H LEU A 8 19.567 2.015 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 8 20.252 -0.395 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 8 20.493 0.862 -8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 8 22.169 0.584 -8.038 1.00 0.00 H new ATOM 0 HG LEU A 8 20.020 -1.314 -8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 8 22.085 -2.487 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 8 22.019 -0.773 -10.197 1.00 0.00 H new ATOM 0 HD13 LEU A 8 23.109 -1.292 -8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.040 -3.292 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 8 22.110 -2.238 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 8 20.348 -2.174 -6.523 1.00 0.00 H new ATOM 66 N SER A 9 22.660 1.840 -5.550 1.00 0.00 N ATOM 67 CA SER A 9 23.850 2.160 -4.720 1.00 0.00 C ATOM 68 C SER A 9 23.580 1.990 -3.210 1.00 0.00 C ATOM 69 O SER A 9 24.460 1.650 -2.430 1.00 0.00 O ATOM 70 CB SER A 9 24.330 3.580 -5.000 1.00 0.00 C ATOM 71 OG SER A 9 25.490 3.860 -4.200 1.00 0.00 O ATOM 0 H SER A 9 22.286 2.641 -6.059 1.00 0.00 H new ATOM 0 HA SER A 9 24.627 1.448 -4.998 1.00 0.00 H new ATOM 0 HB2 SER A 9 24.569 3.693 -6.058 1.00 0.00 H new ATOM 0 HB3 SER A 9 23.538 4.294 -4.774 1.00 0.00 H new ATOM 0 HG SER A 9 25.800 4.772 -4.381 1.00 0.00 H new ATOM 74 N ALA A 10 22.320 2.180 -2.830 1.00 0.00 N ATOM 75 CA ALA A 10 21.840 1.960 -1.450 1.00 0.00 C ATOM 76 C ALA A 10 21.700 0.470 -1.130 1.00 0.00 C ATOM 77 O ALA A 10 21.730 0.050 0.030 1.00 0.00 O ATOM 78 CB ALA A 10 20.500 2.670 -1.250 1.00 0.00 C ATOM 0 H ALA A 10 21.589 2.494 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 10 22.580 2.375 -0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 10 20.149 2.505 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 10 20.625 3.739 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.769 2.272 -1.954 1.00 0.00 H new ATOM 80 N LEU A 11 21.530 -0.340 -2.170 1.00 0.00 N ATOM 81 CA LEU A 11 21.450 -1.790 -2.050 1.00 0.00 C ATOM 82 C LEU A 11 22.840 -2.470 -2.000 1.00 0.00 C ATOM 83 O LEU A 11 23.840 -1.830 -2.340 1.00 0.00 O ATOM 84 CB LEU A 11 20.620 -2.340 -3.210 1.00 0.00 C ATOM 85 CG LEU A 11 19.130 -2.320 -2.890 1.00 0.00 C ATOM 86 CD1 LEU A 11 18.470 -3.060 -4.040 1.00 0.00 C ATOM 87 CD2 LEU A 11 18.730 -3.020 -1.580 1.00 0.00 C ATOM 0 H LEU A 11 21.443 -0.004 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 11 20.969 -2.020 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 11 20.809 -1.749 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.932 -3.361 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 11 18.823 -1.282 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.392 -3.089 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.687 -2.545 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.857 -4.078 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 11 17.651 -2.950 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.023 -4.069 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.233 -2.538 -0.742 1.00 0.00 H new ATOM 89 N PRO A 12 22.910 -3.710 -1.500 1.00 0.00 N ATOM 90 CA PRO A 12 24.180 -4.440 -1.390 1.00 0.00 C ATOM 91 C PRO A 12 24.760 -4.840 -2.760 1.00 0.00 C ATOM 92 O PRO A 12 24.050 -4.770 -3.770 1.00 0.00 O ATOM 93 CB PRO A 12 23.820 -5.610 -0.460 1.00 0.00 C ATOM 94 CG PRO A 12 22.350 -5.910 -0.700 1.00 0.00 C ATOM 95 CD PRO A 12 21.800 -4.510 -0.930 1.00 0.00 C ATOM 0 HA PRO A 12 24.999 -3.846 -0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.435 -6.483 -0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 12 23.998 -5.347 0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.197 -6.559 -1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 12 21.885 -6.400 0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.950 -4.534 -1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 12 21.447 -4.073 0.004 1.00 0.00 H new ATOM 96 N PRO A 13 26.010 -5.340 -2.820 1.00 0.00 N ATOM 97 CA PRO A 13 26.620 -5.820 -4.080 1.00 0.00 C ATOM 98 C PRO A 13 26.010 -7.130 -4.620 1.00 0.00 C ATOM 99 O PRO A 13 26.100 -7.440 -5.800 1.00 0.00 O ATOM 100 CB PRO A 13 28.110 -5.950 -3.760 1.00 0.00 C ATOM 101 CG PRO A 13 28.180 -6.210 -2.260 1.00 0.00 C ATOM 102 CD PRO A 13 26.950 -5.500 -1.690 1.00 0.00 C ATOM 0 HA PRO A 13 26.429 -5.121 -4.894 1.00 0.00 H new ATOM 0 HB2 PRO A 13 28.563 -6.767 -4.322 1.00 0.00 H new ATOM 0 HB3 PRO A 13 28.650 -5.042 -4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 13 28.159 -7.278 -2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 13 29.101 -5.815 -1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.499 -6.084 -0.888 1.00 0.00 H new ATOM 0 HD3 PRO A 13 27.220 -4.532 -1.267 1.00 0.00 H new ATOM 103 N GLU A 14 25.240 -7.780 -3.760 1.00 0.00 N ATOM 104 CA GLU A 14 24.480 -9.010 -4.080 1.00 0.00 C ATOM 105 C GLU A 14 23.030 -8.720 -4.480 1.00 0.00 C ATOM 106 O GLU A 14 22.330 -9.610 -4.950 1.00 0.00 O ATOM 107 CB GLU A 14 24.500 -10.020 -2.920 1.00 0.00 C ATOM 108 CG GLU A 14 24.380 -9.400 -1.530 1.00 0.00 C ATOM 109 CD GLU A 14 25.710 -8.840 -1.000 1.00 0.00 C ATOM 110 OE1 GLU A 14 26.780 -9.120 -1.590 1.00 0.00 O ATOM 111 OE2 GLU A 14 25.640 -8.020 -0.060 1.00 0.00 O ATOM 0 H GLU A 14 25.114 -7.472 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 14 24.989 -9.450 -4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 14 23.683 -10.728 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 14 25.427 -10.591 -2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 14 23.642 -8.599 -1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 14 24.007 -10.152 -0.835 1.00 0.00 H new ATOM 113 N ALA A 15 22.660 -7.440 -4.410 1.00 0.00 N ATOM 114 CA ALA A 15 21.320 -6.980 -4.820 1.00 0.00 C ATOM 115 C ALA A 15 21.150 -7.000 -6.340 1.00 0.00 C ATOM 116 O ALA A 15 20.290 -7.720 -6.860 1.00 0.00 O ATOM 117 CB ALA A 15 21.030 -5.590 -4.290 1.00 0.00 C ATOM 0 H ALA A 15 23.269 -6.695 -4.072 1.00 0.00 H new ATOM 0 HA ALA A 15 20.604 -7.679 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.035 -5.279 -4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 15 21.075 -5.599 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 15 21.771 -4.891 -4.678 1.00 0.00 H new ATOM 119 N THR A 16 22.130 -6.390 -7.010 1.00 0.00 N ATOM 120 CA THR A 16 22.210 -6.390 -8.480 1.00 0.00 C ATOM 121 C THR A 16 22.220 -7.810 -9.060 1.00 0.00 C ATOM 122 O THR A 16 21.840 -8.010 -10.210 1.00 0.00 O ATOM 123 CB THR A 16 23.380 -5.520 -8.980 1.00 0.00 C ATOM 124 OG1 THR A 16 22.830 -4.640 -9.960 1.00 0.00 O ATOM 125 CG2 THR A 16 24.600 -6.260 -9.570 1.00 0.00 C ATOM 0 H THR A 16 22.889 -5.883 -6.555 1.00 0.00 H new ATOM 0 HA THR A 16 21.299 -5.927 -8.859 1.00 0.00 H new ATOM 0 HB THR A 16 23.796 -5.019 -8.106 1.00 0.00 H new ATOM 0 HG1 THR A 16 23.537 -4.059 -10.312 1.00 0.00 H new ATOM 0 HG21 THR A 16 25.350 -5.533 -9.883 1.00 0.00 H new ATOM 0 HG22 THR A 16 25.027 -6.919 -8.814 1.00 0.00 H new ATOM 0 HG23 THR A 16 24.286 -6.851 -10.430 1.00 0.00 H new ATOM 128 N ASP A 17 22.670 -8.760 -8.240 1.00 0.00 N ATOM 129 CA ASP A 17 22.740 -10.190 -8.600 1.00 0.00 C ATOM 130 C ASP A 17 21.390 -10.660 -9.140 1.00 0.00 C ATOM 131 O ASP A 17 21.280 -10.960 -10.320 1.00 0.00 O ATOM 132 CB ASP A 17 23.120 -11.030 -7.390 1.00 0.00 C ATOM 133 CG ASP A 17 23.570 -12.450 -7.720 1.00 0.00 C ATOM 134 OD1 ASP A 17 23.170 -12.980 -8.780 1.00 0.00 O ATOM 135 OD2 ASP A 17 24.310 -12.990 -6.870 1.00 0.00 O ATOM 0 H ASP A 17 23.001 -8.564 -7.296 1.00 0.00 H new ATOM 0 HA ASP A 17 23.503 -10.312 -9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 17 23.921 -10.525 -6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 17 22.265 -11.081 -6.716 1.00 0.00 H new ATOM 137 N THR A 18 20.360 -10.550 -8.310 1.00 0.00 N ATOM 138 CA THR A 18 19.000 -10.930 -8.740 1.00 0.00 C ATOM 139 C THR A 18 18.560 -10.190 -9.990 1.00 0.00 C ATOM 140 O THR A 18 18.190 -10.830 -10.960 1.00 0.00 O ATOM 141 CB THR A 18 18.050 -10.760 -7.570 1.00 0.00 C ATOM 142 OG1 THR A 18 18.310 -11.790 -6.630 1.00 0.00 O ATOM 143 CG2 THR A 18 16.600 -10.830 -7.960 1.00 0.00 C ATOM 0 H THR A 18 20.426 -10.209 -7.351 1.00 0.00 H new ATOM 0 HA THR A 18 18.994 -11.980 -9.033 1.00 0.00 H new ATOM 0 HB THR A 18 18.224 -9.767 -7.157 1.00 0.00 H new ATOM 0 HG1 THR A 18 17.466 -12.091 -6.232 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.978 -10.701 -7.074 1.00 0.00 H new ATOM 0 HG22 THR A 18 16.378 -10.040 -8.678 1.00 0.00 H new ATOM 0 HG23 THR A 18 16.391 -11.800 -8.411 1.00 0.00 H new ATOM 146 N LEU A 19 18.660 -8.870 -9.980 1.00 0.00 N ATOM 147 CA LEU A 19 18.300 -8.030 -11.140 1.00 0.00 C ATOM 148 C LEU A 19 19.010 -8.490 -12.420 1.00 0.00 C ATOM 149 O LEU A 19 18.360 -8.630 -13.460 1.00 0.00 O ATOM 150 CB LEU A 19 18.630 -6.560 -10.860 1.00 0.00 C ATOM 151 CG LEU A 19 18.350 -6.120 -9.410 1.00 0.00 C ATOM 152 CD1 LEU A 19 18.550 -4.610 -9.370 1.00 0.00 C ATOM 153 CD2 LEU A 19 16.960 -6.460 -8.880 1.00 0.00 C ATOM 0 H LEU A 19 18.991 -8.339 -9.174 1.00 0.00 H new ATOM 0 HA LEU A 19 17.226 -8.136 -11.296 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.682 -6.385 -11.085 1.00 0.00 H new ATOM 0 HB3 LEU A 19 18.051 -5.933 -11.537 1.00 0.00 H new ATOM 0 HG LEU A 19 19.032 -6.671 -8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.363 -4.245 -8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 19 19.573 -4.371 -9.659 1.00 0.00 H new ATOM 0 HD13 LEU A 19 17.857 -4.133 -10.062 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.866 -6.108 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.206 -5.976 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.814 -7.540 -8.908 1.00 0.00 H new ATOM 155 N ASN A 20 20.240 -8.980 -12.250 1.00 0.00 N ATOM 156 CA ASN A 20 21.040 -9.580 -13.320 1.00 0.00 C ATOM 157 C ASN A 20 20.460 -10.930 -13.740 1.00 0.00 C ATOM 158 O ASN A 20 20.300 -11.170 -14.920 1.00 0.00 O ATOM 159 CB ASN A 20 22.450 -9.850 -12.830 1.00 0.00 C ATOM 160 CG ASN A 20 23.490 -9.400 -13.850 1.00 0.00 C ATOM 161 OD1 ASN A 20 23.300 -9.400 -15.060 1.00 0.00 O ATOM 162 ND2 ASN A 20 24.610 -8.980 -13.320 1.00 0.00 N ATOM 0 H ASN A 20 20.717 -8.971 -11.348 1.00 0.00 H new ATOM 0 HA ASN A 20 21.036 -8.880 -14.156 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.615 -9.329 -11.887 1.00 0.00 H new ATOM 0 HB3 ASN A 20 22.570 -10.915 -12.632 1.00 0.00 H new ATOM 0 HD21 ASN A 20 25.361 -8.638 -13.919 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.732 -8.995 -12.307 1.00 0.00 H new ATOM 166 N LEU A 21 20.020 -11.720 -12.780 1.00 0.00 N ATOM 167 CA LEU A 21 19.350 -12.990 -13.050 1.00 0.00 C ATOM 168 C LEU A 21 17.980 -12.740 -13.710 1.00 0.00 C ATOM 169 O LEU A 21 17.570 -13.530 -14.540 1.00 0.00 O ATOM 170 CB LEU A 21 19.140 -13.690 -11.720 1.00 0.00 C ATOM 171 CG LEU A 21 20.360 -13.900 -10.830 1.00 0.00 C ATOM 172 CD1 LEU A 21 19.900 -14.290 -9.420 1.00 0.00 C ATOM 173 CD2 LEU A 21 21.310 -14.940 -11.400 1.00 0.00 C ATOM 0 H LEU A 21 20.114 -11.505 -11.787 1.00 0.00 H new ATOM 0 HA LEU A 21 19.955 -13.597 -13.724 1.00 0.00 H new ATOM 0 HB2 LEU A 21 18.405 -13.119 -11.153 1.00 0.00 H new ATOM 0 HB3 LEU A 21 18.699 -14.666 -11.921 1.00 0.00 H new ATOM 0 HG LEU A 21 20.915 -12.963 -10.784 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.771 -14.441 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.280 -13.494 -9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 21 19.322 -15.213 -9.468 1.00 0.00 H new ATOM 0 HD21 LEU A 21 22.164 -15.057 -10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.791 -15.894 -11.495 1.00 0.00 H new ATOM 0 HD23 LEU A 21 21.657 -14.617 -12.381 1.00 0.00 H new ATOM 175 N ILE A 22 17.270 -11.650 -13.410 1.00 0.00 N ATOM 176 CA ILE A 22 16.030 -11.290 -14.130 1.00 0.00 C ATOM 177 C ILE A 22 16.320 -10.840 -15.570 1.00 0.00 C ATOM 178 O ILE A 22 15.600 -11.210 -16.500 1.00 0.00 O ATOM 179 CB ILE A 22 15.260 -10.210 -13.360 1.00 0.00 C ATOM 180 CG1 ILE A 22 14.600 -10.920 -12.200 1.00 0.00 C ATOM 181 CG2 ILE A 22 14.140 -9.490 -14.140 1.00 0.00 C ATOM 182 CD1 ILE A 22 15.310 -10.600 -10.900 1.00 0.00 C ATOM 0 H ILE A 22 17.528 -10.995 -12.672 1.00 0.00 H new ATOM 0 HA ILE A 22 15.408 -12.183 -14.191 1.00 0.00 H new ATOM 0 HB ILE A 22 15.982 -9.437 -13.097 1.00 0.00 H new ATOM 0 HG12 ILE A 22 13.554 -10.621 -12.132 1.00 0.00 H new ATOM 0 HG13 ILE A 22 14.613 -11.996 -12.371 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.666 -8.749 -13.496 1.00 0.00 H new ATOM 0 HG22 ILE A 22 14.565 -8.993 -15.012 1.00 0.00 H new ATOM 0 HG23 ILE A 22 13.396 -10.218 -14.464 1.00 0.00 H new ATOM 0 HD11 ILE A 22 14.818 -11.122 -10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 22 16.349 -10.922 -10.964 1.00 0.00 H new ATOM 0 HD13 ILE A 22 15.274 -9.525 -10.721 1.00 0.00 H new ATOM 184 N ALA A 23 17.360 -10.030 -15.690 1.00 0.00 N ATOM 185 CA ALA A 23 17.810 -9.480 -16.970 1.00 0.00 C ATOM 186 C ALA A 23 18.430 -10.560 -17.870 1.00 0.00 C ATOM 187 O ALA A 23 18.040 -10.720 -19.030 1.00 0.00 O ATOM 188 CB ALA A 23 18.810 -8.350 -16.720 1.00 0.00 C ATOM 0 H ALA A 23 17.925 -9.729 -14.896 1.00 0.00 H new ATOM 0 HA ALA A 23 16.940 -9.086 -17.495 1.00 0.00 H new ATOM 0 HB1 ALA A 23 19.144 -7.942 -17.674 1.00 0.00 H new ATOM 0 HB2 ALA A 23 18.332 -7.563 -16.136 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.668 -8.738 -16.171 1.00 0.00 H new ATOM 190 N SER A 24 19.240 -11.410 -17.260 1.00 0.00 N ATOM 191 CA SER A 24 19.900 -12.560 -17.920 1.00 0.00 C ATOM 192 C SER A 24 19.050 -13.830 -17.830 1.00 0.00 C ATOM 193 O SER A 24 19.490 -14.900 -18.250 1.00 0.00 O ATOM 194 CB SER A 24 21.270 -12.820 -17.270 1.00 0.00 C ATOM 195 OG SER A 24 22.270 -12.900 -18.290 1.00 0.00 O ATOM 0 H SER A 24 19.472 -11.331 -16.270 1.00 0.00 H new ATOM 0 HA SER A 24 20.025 -12.308 -18.973 1.00 0.00 H new ATOM 0 HB2 SER A 24 21.511 -12.020 -16.570 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.244 -13.747 -16.697 1.00 0.00 H new ATOM 0 HG SER A 24 23.144 -13.064 -17.879 1.00 0.00 H new ATOM 198 N ASP A 25 17.810 -13.700 -17.330 1.00 0.00 N ATOM 199 CA ASP A 25 16.850 -14.800 -17.140 1.00 0.00 C ATOM 200 C ASP A 25 17.560 -16.070 -16.600 1.00 0.00 C ATOM 201 O ASP A 25 17.500 -17.150 -17.170 1.00 0.00 O ATOM 202 CB ASP A 25 16.130 -15.040 -18.460 1.00 0.00 C ATOM 203 CG ASP A 25 14.700 -15.540 -18.230 1.00 0.00 C ATOM 204 OD1 ASP A 25 14.550 -16.700 -17.790 1.00 0.00 O ATOM 205 OD2 ASP A 25 13.790 -14.720 -18.440 1.00 0.00 O ATOM 0 H ASP A 25 17.436 -12.797 -17.037 1.00 0.00 H new ATOM 0 HA ASP A 25 16.109 -14.534 -16.386 1.00 0.00 H new ATOM 0 HB2 ASP A 25 16.106 -14.116 -19.037 1.00 0.00 H new ATOM 0 HB3 ASP A 25 16.683 -15.771 -19.051 1.00 0.00 H new ATOM 207 N GLY A 26 18.330 -15.840 -15.540 1.00 0.00 N ATOM 208 CA GLY A 26 19.210 -16.840 -14.920 1.00 0.00 C ATOM 209 C GLY A 26 20.570 -17.010 -15.600 1.00 0.00 C ATOM 210 O GLY A 26 21.030 -16.110 -16.300 1.00 0.00 O ATOM 0 H GLY A 26 18.364 -14.934 -15.074 1.00 0.00 H new ATOM 0 HA2 GLY A 26 19.373 -16.564 -13.878 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.698 -17.802 -14.918 1.00 0.00 H new ATOM 212 N PRO A 27 21.260 -18.100 -15.220 1.00 0.00 N ATOM 213 CA PRO A 27 20.800 -19.100 -14.230 1.00 0.00 C ATOM 214 C PRO A 27 20.920 -18.560 -12.800 1.00 0.00 C ATOM 215 O PRO A 27 21.770 -17.730 -12.500 1.00 0.00 O ATOM 216 CB PRO A 27 21.670 -20.330 -14.460 1.00 0.00 C ATOM 217 CG PRO A 27 22.960 -19.770 -15.080 1.00 0.00 C ATOM 218 CD PRO A 27 22.570 -18.460 -15.770 1.00 0.00 C ATOM 0 HA PRO A 27 19.745 -19.343 -14.354 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.872 -20.855 -13.526 1.00 0.00 H new ATOM 0 HB3 PRO A 27 21.184 -21.042 -15.127 1.00 0.00 H new ATOM 0 HG2 PRO A 27 23.716 -19.596 -14.314 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.386 -20.474 -15.795 1.00 0.00 H new ATOM 0 HD2 PRO A 27 23.305 -17.680 -15.574 1.00 0.00 H new ATOM 0 HD3 PRO A 27 22.520 -18.586 -16.851 1.00 0.00 H new ATOM 219 N PHE A 28 19.910 -18.910 -12.030 1.00 0.00 N ATOM 220 CA PHE A 28 19.790 -18.450 -10.640 1.00 0.00 C ATOM 221 C PHE A 28 20.450 -19.430 -9.660 1.00 0.00 C ATOM 222 O PHE A 28 20.320 -20.640 -9.840 1.00 0.00 O ATOM 223 CB PHE A 28 18.320 -18.300 -10.300 1.00 0.00 C ATOM 224 CG PHE A 28 17.530 -17.260 -11.110 1.00 0.00 C ATOM 225 CD1 PHE A 28 17.100 -17.570 -12.420 1.00 0.00 C ATOM 226 CD2 PHE A 28 17.130 -16.050 -10.500 1.00 0.00 C ATOM 227 CE1 PHE A 28 16.320 -16.640 -13.140 1.00 0.00 C ATOM 228 CE2 PHE A 28 16.320 -15.130 -11.210 1.00 0.00 C ATOM 229 CZ PHE A 28 15.960 -15.420 -12.550 1.00 0.00 C ATOM 0 H PHE A 28 19.149 -19.516 -12.336 1.00 0.00 H new ATOM 0 HA PHE A 28 20.304 -17.493 -10.546 1.00 0.00 H new ATOM 0 HB2 PHE A 28 17.839 -19.270 -10.430 1.00 0.00 H new ATOM 0 HB3 PHE A 28 18.239 -18.043 -9.244 1.00 0.00 H new ATOM 0 HD1 PHE A 28 17.367 -18.515 -12.869 1.00 0.00 H new ATOM 0 HD2 PHE A 28 17.442 -15.826 -9.491 1.00 0.00 H new ATOM 0 HE1 PHE A 28 16.000 -16.868 -14.146 1.00 0.00 H new ATOM 0 HE2 PHE A 28 15.981 -14.220 -10.737 1.00 0.00 H new ATOM 0 HZ PHE A 28 15.403 -14.694 -13.123 1.00 0.00 H new ATOM 231 N PRO A 29 21.200 -18.900 -8.690 1.00 0.00 N ATOM 232 CA PRO A 29 21.920 -19.730 -7.700 1.00 0.00 C ATOM 233 C PRO A 29 20.960 -20.310 -6.670 1.00 0.00 C ATOM 234 O PRO A 29 20.760 -21.520 -6.610 1.00 0.00 O ATOM 235 CB PRO A 29 22.990 -18.800 -7.110 1.00 0.00 C ATOM 236 CG PRO A 29 22.500 -17.380 -7.360 1.00 0.00 C ATOM 237 CD PRO A 29 21.480 -17.460 -8.490 1.00 0.00 C ATOM 0 HA PRO A 29 22.391 -20.610 -8.138 1.00 0.00 H new ATOM 0 HB2 PRO A 29 23.122 -18.985 -6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 29 23.957 -18.968 -7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 29 22.048 -16.963 -6.460 1.00 0.00 H new ATOM 0 HG3 PRO A 29 23.329 -16.727 -7.633 1.00 0.00 H new ATOM 0 HD2 PRO A 29 20.570 -16.918 -8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 29 21.872 -17.009 -9.402 1.00 0.00 H new ATOM 238 N TYR A 30 20.330 -19.430 -5.900 1.00 0.00 N ATOM 239 CA TYR A 30 19.310 -19.820 -4.910 1.00 0.00 C ATOM 240 C TYR A 30 18.130 -20.540 -5.570 1.00 0.00 C ATOM 241 O TYR A 30 17.780 -20.280 -6.710 1.00 0.00 O ATOM 242 CB TYR A 30 18.830 -18.580 -4.150 1.00 0.00 C ATOM 243 CG TYR A 30 19.500 -18.430 -2.780 1.00 0.00 C ATOM 244 CD1 TYR A 30 20.760 -19.030 -2.490 1.00 0.00 C ATOM 245 CD2 TYR A 30 18.850 -17.620 -1.830 1.00 0.00 C ATOM 246 CE1 TYR A 30 21.370 -18.790 -1.240 1.00 0.00 C ATOM 247 CE2 TYR A 30 19.460 -17.370 -0.590 1.00 0.00 C ATOM 248 CZ TYR A 30 20.720 -17.960 -0.310 1.00 0.00 C ATOM 249 OH TYR A 30 21.330 -17.680 0.860 1.00 0.00 O ATOM 0 H TYR A 30 20.505 -18.426 -5.938 1.00 0.00 H new ATOM 0 HA TYR A 30 19.764 -20.520 -4.208 1.00 0.00 H new ATOM 0 HB2 TYR A 30 19.032 -17.691 -4.748 1.00 0.00 H new ATOM 0 HB3 TYR A 30 17.750 -18.636 -4.017 1.00 0.00 H new ATOM 0 HD1 TYR A 30 21.243 -19.662 -3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 30 17.884 -17.192 -2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 30 22.323 -19.238 -1.001 1.00 0.00 H new ATOM 0 HE2 TYR A 30 18.977 -16.738 0.140 1.00 0.00 H new ATOM 0 HH TYR A 30 20.756 -17.094 1.396 1.00 0.00 H new ATOM 252 N SER A 31 17.520 -21.420 -4.790 1.00 0.00 N ATOM 253 CA SER A 31 16.310 -22.140 -5.250 1.00 0.00 C ATOM 254 C SER A 31 15.070 -21.230 -5.270 1.00 0.00 C ATOM 255 O SER A 31 13.990 -21.600 -5.710 1.00 0.00 O ATOM 256 CB SER A 31 16.060 -23.360 -4.360 1.00 0.00 C ATOM 257 OG SER A 31 15.760 -24.470 -5.200 1.00 0.00 O ATOM 0 H SER A 31 17.826 -21.660 -3.847 1.00 0.00 H new ATOM 0 HA SER A 31 16.488 -22.467 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.938 -23.572 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.234 -23.168 -3.675 1.00 0.00 H new ATOM 0 HG SER A 31 15.598 -25.263 -4.648 1.00 0.00 H new ATOM 260 N GLN A 32 15.250 -20.010 -4.770 1.00 0.00 N ATOM 261 CA GLN A 32 14.190 -19.000 -4.690 1.00 0.00 C ATOM 262 C GLN A 32 14.240 -18.020 -5.850 1.00 0.00 C ATOM 263 O GLN A 32 14.930 -16.990 -5.810 1.00 0.00 O ATOM 264 CB GLN A 32 14.290 -18.220 -3.400 1.00 0.00 C ATOM 265 CG GLN A 32 13.530 -18.900 -2.270 1.00 0.00 C ATOM 266 CD GLN A 32 13.610 -18.050 -0.990 1.00 0.00 C ATOM 267 OE1 GLN A 32 12.670 -17.910 -0.230 1.00 0.00 O ATOM 268 NE2 GLN A 32 14.760 -17.520 -0.680 1.00 0.00 N ATOM 0 H GLN A 32 16.146 -19.688 -4.404 1.00 0.00 H new ATOM 0 HA GLN A 32 13.246 -19.543 -4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.338 -18.112 -3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 32 13.895 -17.215 -3.551 1.00 0.00 H new ATOM 0 HG2 GLN A 32 12.488 -19.042 -2.557 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.948 -19.890 -2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.557 -17.629 -1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 32 14.863 -16.997 0.189 1.00 0.00 H new ATOM 272 N ASP A 33 13.530 -18.440 -6.890 1.00 0.00 N ATOM 273 CA ASP A 33 13.460 -17.760 -8.200 1.00 0.00 C ATOM 274 C ASP A 33 12.770 -18.580 -9.280 1.00 0.00 C ATOM 275 O ASP A 33 13.070 -19.750 -9.490 1.00 0.00 O ATOM 276 CB ASP A 33 14.850 -17.420 -8.720 1.00 0.00 C ATOM 277 CG ASP A 33 15.900 -18.470 -8.400 1.00 0.00 C ATOM 278 OD1 ASP A 33 15.860 -19.530 -9.060 1.00 0.00 O ATOM 279 OD2 ASP A 33 16.770 -18.110 -7.580 1.00 0.00 O ATOM 0 H ASP A 33 12.965 -19.289 -6.855 1.00 0.00 H new ATOM 0 HA ASP A 33 12.873 -16.862 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.801 -17.287 -9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.163 -16.466 -8.296 1.00 0.00 H new ATOM 281 N GLY A 34 11.890 -17.870 -9.980 1.00 0.00 N ATOM 282 CA GLY A 34 11.080 -18.450 -11.080 1.00 0.00 C ATOM 283 C GLY A 34 9.680 -18.870 -10.600 1.00 0.00 C ATOM 284 O GLY A 34 8.970 -19.610 -11.270 1.00 0.00 O ATOM 0 H GLY A 34 11.709 -16.880 -9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.985 -17.721 -11.884 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.597 -19.316 -11.494 1.00 0.00 H new ATOM 286 N VAL A 35 9.310 -18.340 -9.450 1.00 0.00 N ATOM 287 CA VAL A 35 7.980 -18.540 -8.850 1.00 0.00 C ATOM 288 C VAL A 35 7.190 -17.240 -8.920 1.00 0.00 C ATOM 289 O VAL A 35 7.800 -16.170 -9.010 1.00 0.00 O ATOM 290 CB VAL A 35 8.120 -19.080 -7.400 1.00 0.00 C ATOM 291 CG1 VAL A 35 8.640 -20.520 -7.420 1.00 0.00 C ATOM 292 CG2 VAL A 35 9.050 -18.240 -6.510 1.00 0.00 C ATOM 0 H VAL A 35 9.924 -17.749 -8.889 1.00 0.00 H new ATOM 0 HA VAL A 35 7.425 -19.291 -9.412 1.00 0.00 H new ATOM 0 HB VAL A 35 7.120 -19.026 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.734 -20.887 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.942 -21.151 -7.970 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.615 -20.548 -7.907 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.096 -18.680 -5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.049 -18.220 -6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.665 -17.223 -6.439 1.00 0.00 H new ATOM 294 N VAL A 36 5.870 -17.390 -9.000 1.00 0.00 N ATOM 295 CA VAL A 36 4.890 -16.280 -9.000 1.00 0.00 C ATOM 296 C VAL A 36 4.570 -15.850 -7.570 1.00 0.00 C ATOM 297 O VAL A 36 4.590 -16.640 -6.630 1.00 0.00 O ATOM 298 CB VAL A 36 3.630 -16.680 -9.810 1.00 0.00 C ATOM 299 CG1 VAL A 36 2.360 -15.900 -9.500 1.00 0.00 C ATOM 300 CG2 VAL A 36 3.880 -16.520 -11.310 1.00 0.00 C ATOM 0 H VAL A 36 5.429 -18.307 -9.069 1.00 0.00 H new ATOM 0 HA VAL A 36 5.322 -15.410 -9.496 1.00 0.00 H new ATOM 0 HB VAL A 36 3.462 -17.714 -9.509 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.546 -16.266 -10.126 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.098 -16.033 -8.450 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.525 -14.842 -9.702 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.984 -16.806 -11.861 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.125 -15.481 -11.529 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.710 -17.159 -11.611 1.00 0.00 H new ATOM 302 N PHE A 37 4.160 -14.590 -7.460 1.00 0.00 N ATOM 303 CA PHE A 37 3.740 -14.000 -6.190 1.00 0.00 C ATOM 304 C PHE A 37 2.410 -13.270 -6.380 1.00 0.00 C ATOM 305 O PHE A 37 2.390 -12.110 -6.770 1.00 0.00 O ATOM 306 CB PHE A 37 4.870 -13.060 -5.730 1.00 0.00 C ATOM 307 CG PHE A 37 4.560 -12.340 -4.420 1.00 0.00 C ATOM 308 CD1 PHE A 37 4.380 -13.080 -3.230 1.00 0.00 C ATOM 309 CD2 PHE A 37 4.450 -10.930 -4.420 1.00 0.00 C ATOM 310 CE1 PHE A 37 4.040 -12.410 -2.040 1.00 0.00 C ATOM 311 CE2 PHE A 37 4.160 -10.250 -3.220 1.00 0.00 C ATOM 312 CZ PHE A 37 3.950 -11.000 -2.040 1.00 0.00 C ATOM 0 H PHE A 37 4.109 -13.947 -8.250 1.00 0.00 H new ATOM 0 HA PHE A 37 3.573 -14.756 -5.423 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.787 -13.637 -5.611 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.057 -12.320 -6.508 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.503 -14.153 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.588 -10.376 -5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.850 -12.968 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.099 -9.172 -3.202 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.716 -10.485 -1.120 1.00 0.00 H new ATOM 314 N GLN A 38 1.290 -13.950 -6.140 1.00 0.00 N ATOM 315 CA GLN A 38 -0.060 -13.330 -6.250 1.00 0.00 C ATOM 316 C GLN A 38 -0.330 -12.290 -5.160 1.00 0.00 C ATOM 317 O GLN A 38 -1.320 -12.330 -4.450 1.00 0.00 O ATOM 318 CB GLN A 38 -1.160 -14.400 -6.190 1.00 0.00 C ATOM 319 CG GLN A 38 -2.490 -13.790 -6.660 1.00 0.00 C ATOM 320 CD GLN A 38 -3.630 -13.890 -5.650 1.00 0.00 C ATOM 321 OE1 GLN A 38 -3.490 -13.820 -4.430 1.00 0.00 O ATOM 322 NE2 GLN A 38 -4.810 -14.090 -6.160 1.00 0.00 N ATOM 0 H GLN A 38 1.275 -14.933 -5.867 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.076 -12.823 -7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.893 -15.248 -6.821 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.260 -14.778 -5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.327 -12.739 -6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.795 -14.285 -7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.925 -14.148 -7.172 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.620 -14.189 -5.548 1.00 0.00 H new ATOM 326 N ASN A 39 0.640 -11.390 -4.960 1.00 0.00 N ATOM 327 CA ASN A 39 0.660 -10.380 -3.890 1.00 0.00 C ATOM 328 C ASN A 39 -0.110 -10.880 -2.660 1.00 0.00 C ATOM 329 O ASN A 39 -1.150 -10.350 -2.290 1.00 0.00 O ATOM 330 CB ASN A 39 0.100 -9.070 -4.470 1.00 0.00 C ATOM 331 CG ASN A 39 0.450 -7.860 -3.610 1.00 0.00 C ATOM 332 OD1 ASN A 39 1.260 -7.880 -2.690 1.00 0.00 O ATOM 333 ND2 ASN A 39 -0.220 -6.770 -3.890 1.00 0.00 N ATOM 0 H ASN A 39 1.464 -11.342 -5.560 1.00 0.00 H new ATOM 0 HA ASN A 39 1.676 -10.195 -3.540 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.493 -8.924 -5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.984 -9.149 -4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.071 -5.924 -3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.891 -6.767 -4.658 1.00 0.00 H new ATOM 337 N ARG A 40 0.290 -12.080 -2.220 1.00 0.00 N ATOM 338 CA ARG A 40 -0.430 -12.800 -1.140 1.00 0.00 C ATOM 339 C ARG A 40 -0.490 -11.960 0.130 1.00 0.00 C ATOM 340 O ARG A 40 -1.390 -12.060 0.960 1.00 0.00 O ATOM 341 CB ARG A 40 0.220 -14.150 -0.800 1.00 0.00 C ATOM 342 CG ARG A 40 0.320 -15.110 -1.990 1.00 0.00 C ATOM 343 CD ARG A 40 1.700 -14.990 -2.650 1.00 0.00 C ATOM 344 NE ARG A 40 2.360 -16.300 -2.750 1.00 0.00 N ATOM 345 CZ ARG A 40 2.920 -17.010 -1.770 1.00 0.00 C ATOM 346 NH1 ARG A 40 3.030 -16.550 -0.530 1.00 0.00 N ATOM 347 NH2 ARG A 40 3.410 -18.210 -2.040 1.00 0.00 N ATOM 0 H ARG A 40 1.102 -12.577 -2.587 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.436 -12.982 -1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.220 -13.971 -0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.354 -14.629 -0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.156 -16.134 -1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.460 -14.883 -2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.593 -14.557 -3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.324 -14.309 -2.071 1.00 0.00 H new ATOM 0 HE ARG A 40 2.394 -16.716 -3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.679 -15.621 -0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.465 -17.126 0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.357 -18.581 -2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.841 -18.763 -1.299 1.00 0.00 H new ATOM 354 N GLU A 41 0.480 -11.050 0.190 1.00 0.00 N ATOM 355 CA GLU A 41 0.560 -10.040 1.240 1.00 0.00 C ATOM 356 C GLU A 41 -0.240 -8.770 0.940 1.00 0.00 C ATOM 357 O GLU A 41 -0.390 -7.940 1.840 1.00 0.00 O ATOM 358 CB GLU A 41 2.010 -9.690 1.470 1.00 0.00 C ATOM 359 CG GLU A 41 2.400 -10.350 2.790 1.00 0.00 C ATOM 360 CD GLU A 41 3.760 -9.880 3.280 1.00 0.00 C ATOM 361 OE1 GLU A 41 4.430 -9.150 2.510 1.00 0.00 O ATOM 362 OE2 GLU A 41 4.130 -10.370 4.370 1.00 0.00 O ATOM 0 H GLU A 41 1.236 -10.993 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 41 0.111 -10.473 2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.633 -10.054 0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.147 -8.610 1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.646 -10.126 3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.414 -11.433 2.664 1.00 0.00 H new ATOM 364 N SER A 42 -0.690 -8.600 -0.310 1.00 0.00 N ATOM 365 CA SER A 42 -1.460 -7.420 -0.770 1.00 0.00 C ATOM 366 C SER A 42 -0.860 -6.110 -0.240 1.00 0.00 C ATOM 367 O SER A 42 -1.490 -5.250 0.360 1.00 0.00 O ATOM 368 CB SER A 42 -2.940 -7.600 -0.390 1.00 0.00 C ATOM 369 OG SER A 42 -3.710 -6.450 -0.750 1.00 0.00 O ATOM 0 H SER A 42 -0.530 -9.286 -1.048 1.00 0.00 H new ATOM 0 HA SER A 42 -1.398 -7.348 -1.856 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.342 -8.481 -0.890 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.024 -7.776 0.682 1.00 0.00 H new ATOM 0 HG SER A 42 -3.270 -5.643 -0.412 1.00 0.00 H new ATOM 372 N VAL A 43 0.470 -6.080 -0.330 1.00 0.00 N ATOM 373 CA VAL A 43 1.210 -4.910 0.170 1.00 0.00 C ATOM 374 C VAL A 43 1.710 -4.070 -1.000 1.00 0.00 C ATOM 375 O VAL A 43 2.080 -2.910 -0.870 1.00 0.00 O ATOM 376 CB VAL A 43 2.330 -5.320 1.160 1.00 0.00 C ATOM 377 CG1 VAL A 43 3.200 -4.140 1.590 1.00 0.00 C ATOM 378 CG2 VAL A 43 1.740 -5.880 2.450 1.00 0.00 C ATOM 0 H VAL A 43 1.045 -6.822 -0.729 1.00 0.00 H new ATOM 0 HA VAL A 43 0.533 -4.282 0.749 1.00 0.00 H new ATOM 0 HB VAL A 43 2.925 -6.058 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.967 -4.487 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.675 -3.700 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.580 -3.390 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.547 -6.160 3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.115 -5.122 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.136 -6.758 2.223 1.00 0.00 H new ATOM 380 N LEU A 44 1.730 -4.690 -2.170 1.00 0.00 N ATOM 381 CA LEU A 44 2.260 -4.060 -3.370 1.00 0.00 C ATOM 382 C LEU A 44 1.150 -3.240 -4.030 1.00 0.00 C ATOM 383 O LEU A 44 -0.020 -3.590 -3.830 1.00 0.00 O ATOM 384 CB LEU A 44 2.780 -5.200 -4.250 1.00 0.00 C ATOM 385 CG LEU A 44 4.070 -5.880 -3.780 1.00 0.00 C ATOM 386 CD1 LEU A 44 5.250 -5.170 -4.370 1.00 0.00 C ATOM 387 CD2 LEU A 44 4.340 -5.890 -2.290 1.00 0.00 C ATOM 0 H LEU A 44 1.382 -5.638 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 44 3.075 -3.363 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.000 -5.958 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.944 -4.810 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 44 3.930 -6.912 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.169 -5.652 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.193 -5.211 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.248 -4.129 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.283 -6.401 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.400 -4.865 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.532 -6.411 -1.777 1.00 0.00 H new ATOM 389 N PRO A 45 1.490 -2.200 -4.790 1.00 0.00 N ATOM 390 CA PRO A 45 0.500 -1.320 -5.440 1.00 0.00 C ATOM 391 C PRO A 45 -0.160 -1.980 -6.660 1.00 0.00 C ATOM 392 O PRO A 45 -0.270 -1.380 -7.730 1.00 0.00 O ATOM 393 CB PRO A 45 1.290 -0.050 -5.790 1.00 0.00 C ATOM 394 CG PRO A 45 2.730 -0.520 -5.990 1.00 0.00 C ATOM 395 CD PRO A 45 2.860 -1.740 -5.080 1.00 0.00 C ATOM 0 HA PRO A 45 -0.346 -1.097 -4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.900 0.421 -6.692 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.224 0.688 -4.991 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.923 -0.778 -7.031 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.444 0.257 -5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.437 -2.526 -5.567 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.385 -1.482 -4.160 1.00 0.00 H new ATOM 396 N THR A 46 -0.640 -3.200 -6.440 1.00 0.00 N ATOM 397 CA THR A 46 -1.300 -4.030 -7.480 1.00 0.00 C ATOM 398 C THR A 46 -2.220 -5.030 -6.760 1.00 0.00 C ATOM 399 O THR A 46 -2.810 -4.660 -5.740 1.00 0.00 O ATOM 400 CB THR A 46 -0.230 -4.690 -8.380 1.00 0.00 C ATOM 401 OG1 THR A 46 0.800 -3.750 -8.690 1.00 0.00 O ATOM 402 CG2 THR A 46 -0.780 -5.180 -9.710 1.00 0.00 C ATOM 0 H THR A 46 -0.588 -3.658 -5.530 1.00 0.00 H new ATOM 0 HA THR A 46 -1.918 -3.435 -8.153 1.00 0.00 H new ATOM 0 HB THR A 46 0.142 -5.542 -7.811 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.640 -4.036 -8.274 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.023 -5.632 -10.292 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.559 -5.921 -9.531 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.199 -4.339 -10.262 1.00 0.00 H new ATOM 405 N GLN A 47 -2.240 -6.290 -7.210 1.00 0.00 N ATOM 406 CA GLN A 47 -3.140 -7.380 -6.750 1.00 0.00 C ATOM 407 C GLN A 47 -3.180 -8.520 -7.780 1.00 0.00 C ATOM 408 O GLN A 47 -3.400 -9.670 -7.410 1.00 0.00 O ATOM 409 CB GLN A 47 -4.570 -6.880 -6.500 1.00 0.00 C ATOM 410 CG GLN A 47 -5.640 -7.960 -6.420 1.00 0.00 C ATOM 411 CD GLN A 47 -6.800 -7.530 -5.550 1.00 0.00 C ATOM 412 OE1 GLN A 47 -7.580 -6.640 -5.850 1.00 0.00 O ATOM 413 NE2 GLN A 47 -6.890 -8.200 -4.420 1.00 0.00 N ATOM 0 H GLN A 47 -1.601 -6.603 -7.941 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.734 -7.746 -5.807 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.580 -6.314 -5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.838 -6.187 -7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.002 -8.190 -7.422 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.204 -8.876 -6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.217 -8.937 -4.209 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.633 -7.982 -3.756 1.00 0.00 H new ATOM 417 N SER A 48 -3.090 -8.150 -9.060 1.00 0.00 N ATOM 418 CA SER A 48 -3.130 -9.110 -10.170 1.00 0.00 C ATOM 419 C SER A 48 -2.280 -10.360 -9.880 1.00 0.00 C ATOM 420 O SER A 48 -1.380 -10.390 -9.050 1.00 0.00 O ATOM 421 CB SER A 48 -2.660 -8.450 -11.470 1.00 0.00 C ATOM 422 OG SER A 48 -1.390 -7.840 -11.260 1.00 0.00 O ATOM 0 H SER A 48 -2.988 -7.180 -9.357 1.00 0.00 H new ATOM 0 HA SER A 48 -4.166 -9.429 -10.282 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.591 -9.194 -12.264 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.385 -7.703 -11.794 1.00 0.00 H new ATOM 0 HG SER A 48 -1.168 -7.274 -12.029 1.00 0.00 H new ATOM 425 N TYR A 49 -2.670 -11.430 -10.560 1.00 0.00 N ATOM 426 CA TYR A 49 -2.050 -12.740 -10.360 1.00 0.00 C ATOM 427 C TYR A 49 -1.110 -13.080 -11.510 1.00 0.00 C ATOM 428 O TYR A 49 -1.460 -12.880 -12.670 1.00 0.00 O ATOM 429 CB TYR A 49 -3.150 -13.800 -10.230 1.00 0.00 C ATOM 430 CG TYR A 49 -2.630 -15.210 -9.940 1.00 0.00 C ATOM 431 CD1 TYR A 49 -1.370 -15.420 -9.340 1.00 0.00 C ATOM 432 CD2 TYR A 49 -3.470 -16.300 -10.240 1.00 0.00 C ATOM 433 CE1 TYR A 49 -0.940 -16.710 -8.990 1.00 0.00 C ATOM 434 CE2 TYR A 49 -3.040 -17.610 -9.920 1.00 0.00 C ATOM 435 CZ TYR A 49 -1.790 -17.790 -9.290 1.00 0.00 C ATOM 436 OH TYR A 49 -1.340 -19.030 -9.000 1.00 0.00 O ATOM 0 H TYR A 49 -3.414 -11.420 -11.257 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.456 -12.718 -9.446 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.831 -13.505 -9.432 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.730 -13.821 -11.153 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.726 -14.575 -9.147 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.430 -16.138 -10.708 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.013 -16.868 -8.506 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.661 -18.462 -10.155 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.018 -19.691 -9.252 1.00 0.00 H new ATOM 439 N GLY A 50 0.090 -13.500 -11.140 1.00 0.00 N ATOM 440 CA GLY A 50 1.110 -13.910 -12.130 1.00 0.00 C ATOM 441 C GLY A 50 1.920 -12.710 -12.650 1.00 0.00 C ATOM 442 O GLY A 50 3.040 -12.870 -13.110 1.00 0.00 O ATOM 0 H GLY A 50 0.394 -13.571 -10.169 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.786 -14.635 -11.676 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.623 -14.409 -12.967 1.00 0.00 H new ATOM 444 N TYR A 51 1.370 -11.520 -12.420 1.00 0.00 N ATOM 445 CA TYR A 51 2.020 -10.240 -12.760 1.00 0.00 C ATOM 446 C TYR A 51 3.260 -9.970 -11.890 1.00 0.00 C ATOM 447 O TYR A 51 3.940 -8.960 -12.060 1.00 0.00 O ATOM 448 CB TYR A 51 0.990 -9.140 -12.510 1.00 0.00 C ATOM 449 CG TYR A 51 0.960 -8.030 -13.570 1.00 0.00 C ATOM 450 CD1 TYR A 51 0.310 -8.300 -14.790 1.00 0.00 C ATOM 451 CD2 TYR A 51 1.550 -6.780 -13.300 1.00 0.00 C ATOM 452 CE1 TYR A 51 0.270 -7.300 -15.790 1.00 0.00 C ATOM 453 CE2 TYR A 51 1.510 -5.780 -14.290 1.00 0.00 C ATOM 454 CZ TYR A 51 0.900 -6.060 -15.530 1.00 0.00 C ATOM 455 OH TYR A 51 1.050 -5.190 -16.570 1.00 0.00 O ATOM 0 H TYR A 51 0.453 -11.407 -11.989 1.00 0.00 H new ATOM 0 HA TYR A 51 2.354 -10.270 -13.797 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.001 -9.595 -12.453 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.190 -8.689 -11.538 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.153 -9.261 -14.960 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.025 -6.592 -12.349 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.230 -7.479 -16.730 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.942 -4.808 -14.102 1.00 0.00 H new ATOM 0 HH TYR A 51 1.497 -4.377 -16.254 1.00 0.00 H new ATOM 458 N TYR A 52 3.430 -10.790 -10.870 1.00 0.00 N ATOM 459 CA TYR A 52 4.550 -10.710 -9.920 1.00 0.00 C ATOM 460 C TYR A 52 5.330 -12.020 -9.930 1.00 0.00 C ATOM 461 O TYR A 52 4.770 -13.070 -10.270 1.00 0.00 O ATOM 462 CB TYR A 52 3.980 -10.540 -8.530 1.00 0.00 C ATOM 463 CG TYR A 52 3.510 -9.130 -8.240 1.00 0.00 C ATOM 464 CD1 TYR A 52 2.380 -8.580 -8.870 1.00 0.00 C ATOM 465 CD2 TYR A 52 4.310 -8.410 -7.340 1.00 0.00 C ATOM 466 CE1 TYR A 52 2.040 -7.250 -8.590 1.00 0.00 C ATOM 467 CE2 TYR A 52 3.970 -7.080 -7.070 1.00 0.00 C ATOM 468 CZ TYR A 52 2.850 -6.510 -7.700 1.00 0.00 C ATOM 469 OH TYR A 52 2.590 -5.230 -7.370 1.00 0.00 O ATOM 0 H TYR A 52 2.784 -11.552 -10.665 1.00 0.00 H new ATOM 0 HA TYR A 52 5.200 -9.880 -10.197 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.144 -11.227 -8.402 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.738 -10.820 -7.798 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.788 -9.169 -9.554 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.166 -8.870 -6.868 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.172 -6.798 -9.047 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.564 -6.496 -6.383 1.00 0.00 H new ATOM 0 HH TYR A 52 3.431 -4.730 -7.311 1.00 0.00 H new ATOM 472 N HIS A 53 6.480 -11.950 -9.270 1.00 0.00 N ATOM 473 CA HIS A 53 7.410 -13.080 -9.130 1.00 0.00 C ATOM 474 C HIS A 53 8.350 -12.860 -7.950 1.00 0.00 C ATOM 475 O HIS A 53 8.410 -11.780 -7.370 1.00 0.00 O ATOM 476 CB HIS A 53 8.210 -13.330 -10.420 1.00 0.00 C ATOM 477 CG HIS A 53 7.360 -13.890 -11.570 1.00 0.00 C ATOM 478 ND1 HIS A 53 6.790 -13.180 -12.540 1.00 0.00 N ATOM 479 CD2 HIS A 53 7.010 -15.160 -11.770 1.00 0.00 C ATOM 480 CE1 HIS A 53 6.100 -13.990 -13.330 1.00 0.00 C ATOM 481 NE2 HIS A 53 6.240 -15.220 -12.840 1.00 0.00 N ATOM 0 H HIS A 53 6.803 -11.099 -8.809 1.00 0.00 H new ATOM 0 HA HIS A 53 6.812 -13.971 -8.940 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.669 -12.395 -10.740 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.021 -14.026 -10.206 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.307 -16.000 -11.159 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.533 -13.707 -14.204 1.00 0.00 H new ATOM 0 HE2 HIS A 53 5.822 -16.066 -13.227 1.00 0.00 H new ATOM 485 N GLU A 54 9.000 -13.940 -7.530 1.00 0.00 N ATOM 486 CA GLU A 54 9.930 -13.900 -6.390 1.00 0.00 C ATOM 487 C GLU A 54 11.310 -14.300 -6.870 1.00 0.00 C ATOM 488 O GLU A 54 11.450 -15.250 -7.650 1.00 0.00 O ATOM 489 CB GLU A 54 9.550 -14.850 -5.250 1.00 0.00 C ATOM 490 CG GLU A 54 8.130 -14.650 -4.730 1.00 0.00 C ATOM 491 CD GLU A 54 7.190 -15.720 -5.280 1.00 0.00 C ATOM 492 OE1 GLU A 54 7.110 -15.790 -6.520 1.00 0.00 O ATOM 493 OE2 GLU A 54 6.590 -16.450 -4.470 1.00 0.00 O ATOM 0 H GLU A 54 8.904 -14.860 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 54 9.895 -12.882 -6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.659 -15.878 -5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.251 -14.713 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.129 -14.686 -3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.770 -13.662 -5.017 1.00 0.00 H new ATOM 495 N TYR A 55 12.290 -13.580 -6.340 1.00 0.00 N ATOM 496 CA TYR A 55 13.700 -13.730 -6.720 1.00 0.00 C ATOM 497 C TYR A 55 14.630 -13.320 -5.580 1.00 0.00 C ATOM 498 O TYR A 55 15.390 -12.350 -5.660 1.00 0.00 O ATOM 499 CB TYR A 55 13.970 -12.840 -7.940 1.00 0.00 C ATOM 500 CG TYR A 55 13.300 -13.270 -9.230 1.00 0.00 C ATOM 501 CD1 TYR A 55 13.400 -14.590 -9.690 1.00 0.00 C ATOM 502 CD2 TYR A 55 12.580 -12.310 -9.950 1.00 0.00 C ATOM 503 CE1 TYR A 55 12.740 -14.980 -10.870 1.00 0.00 C ATOM 504 CE2 TYR A 55 11.960 -12.680 -11.160 1.00 0.00 C ATOM 505 CZ TYR A 55 12.040 -14.010 -11.590 1.00 0.00 C ATOM 506 OH TYR A 55 11.410 -14.340 -12.750 1.00 0.00 O ATOM 0 H TYR A 55 12.133 -12.867 -5.627 1.00 0.00 H new ATOM 0 HA TYR A 55 13.893 -14.777 -6.951 1.00 0.00 H new ATOM 0 HB2 TYR A 55 13.647 -11.826 -7.705 1.00 0.00 H new ATOM 0 HB3 TYR A 55 15.046 -12.801 -8.107 1.00 0.00 H new ATOM 0 HD1 TYR A 55 13.985 -15.310 -9.137 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.501 -11.298 -9.583 1.00 0.00 H new ATOM 0 HE1 TYR A 55 12.774 -16.004 -11.210 1.00 0.00 H new ATOM 0 HE2 TYR A 55 11.429 -11.946 -11.749 1.00 0.00 H new ATOM 0 HH TYR A 55 10.971 -13.546 -13.121 1.00 0.00 H new ATOM 509 N THR A 56 14.520 -14.040 -4.470 1.00 0.00 N ATOM 510 CA THR A 56 15.350 -13.780 -3.280 1.00 0.00 C ATOM 511 C THR A 56 16.780 -13.400 -3.650 1.00 0.00 C ATOM 512 O THR A 56 17.460 -14.070 -4.430 1.00 0.00 O ATOM 513 CB THR A 56 15.380 -14.990 -2.350 1.00 0.00 C ATOM 514 OG1 THR A 56 14.070 -15.090 -1.810 1.00 0.00 O ATOM 515 CG2 THR A 56 16.450 -15.000 -1.250 1.00 0.00 C ATOM 0 H THR A 56 13.864 -14.813 -4.360 1.00 0.00 H new ATOM 0 HA THR A 56 14.889 -12.938 -2.764 1.00 0.00 H new ATOM 0 HB THR A 56 15.676 -15.857 -2.941 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.112 -15.013 -0.834 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.360 -15.914 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.440 -14.957 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.312 -14.136 -0.600 1.00 0.00 H new ATOM 518 N VAL A 57 17.130 -12.250 -3.130 1.00 0.00 N ATOM 519 CA VAL A 57 18.460 -11.700 -3.360 1.00 0.00 C ATOM 520 C VAL A 57 19.410 -12.260 -2.310 1.00 0.00 C ATOM 521 O VAL A 57 19.220 -12.040 -1.120 1.00 0.00 O ATOM 522 CB VAL A 57 18.380 -10.180 -3.450 1.00 0.00 C ATOM 523 CG1 VAL A 57 18.680 -9.390 -2.180 1.00 0.00 C ATOM 524 CG2 VAL A 57 19.400 -9.770 -4.500 1.00 0.00 C ATOM 0 H VAL A 57 16.523 -11.673 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 57 18.875 -12.007 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 57 17.340 -9.944 -3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 57 18.587 -8.323 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 57 17.973 -9.673 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 57 19.694 -9.609 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.391 -8.686 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.393 -10.095 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.148 -10.235 -5.453 1.00 0.00 H new ATOM 526 N ILE A 58 20.290 -13.140 -2.780 1.00 0.00 N ATOM 527 CA ILE A 58 21.380 -13.660 -1.920 1.00 0.00 C ATOM 528 C ILE A 58 21.930 -12.540 -1.010 1.00 0.00 C ATOM 529 O ILE A 58 22.050 -11.400 -1.430 1.00 0.00 O ATOM 530 CB ILE A 58 22.470 -14.310 -2.790 1.00 0.00 C ATOM 531 CG1 ILE A 58 22.250 -15.800 -2.720 1.00 0.00 C ATOM 532 CG2 ILE A 58 23.950 -14.030 -2.440 1.00 0.00 C ATOM 533 CD1 ILE A 58 22.070 -16.360 -4.120 1.00 0.00 C ATOM 0 H ILE A 58 20.282 -13.510 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 58 20.989 -14.435 -1.260 1.00 0.00 H new ATOM 0 HB ILE A 58 22.349 -13.858 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 58 23.099 -16.280 -2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 58 21.370 -16.019 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 58 24.596 -14.557 -3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 58 24.143 -12.959 -2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 58 24.156 -14.376 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.911 -17.437 -4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.207 -15.890 -4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 58 22.962 -16.155 -4.711 1.00 0.00 H new ATOM 535 N THR A 59 22.330 -12.960 0.180 1.00 0.00 N ATOM 536 CA THR A 59 22.890 -12.040 1.170 1.00 0.00 C ATOM 537 C THR A 59 24.120 -12.640 1.870 1.00 0.00 C ATOM 538 O THR A 59 24.160 -13.860 2.080 1.00 0.00 O ATOM 539 CB THR A 59 21.760 -11.540 2.090 1.00 0.00 C ATOM 540 OG1 THR A 59 21.060 -10.570 1.320 1.00 0.00 O ATOM 541 CG2 THR A 59 22.190 -10.850 3.390 1.00 0.00 C ATOM 0 H THR A 59 22.279 -13.931 0.488 1.00 0.00 H new ATOM 0 HA THR A 59 23.295 -11.150 0.688 1.00 0.00 H new ATOM 0 HB THR A 59 21.194 -12.416 2.405 1.00 0.00 H new ATOM 0 HG1 THR A 59 20.343 -11.008 0.816 1.00 0.00 H new ATOM 0 HG21 THR A 59 21.306 -10.544 3.949 1.00 0.00 H new ATOM 0 HG22 THR A 59 22.779 -11.542 3.992 1.00 0.00 H new ATOM 0 HG23 THR A 59 22.792 -9.972 3.154 1.00 0.00 H new ATOM 544 N PRO A 60 25.150 -11.830 2.120 1.00 0.00 N ATOM 545 CA PRO A 60 26.370 -12.270 2.810 1.00 0.00 C ATOM 546 C PRO A 60 26.080 -12.440 4.300 1.00 0.00 C ATOM 547 O PRO A 60 25.140 -11.850 4.840 1.00 0.00 O ATOM 548 CB PRO A 60 27.400 -11.170 2.550 1.00 0.00 C ATOM 549 CG PRO A 60 26.570 -9.900 2.400 1.00 0.00 C ATOM 550 CD PRO A 60 25.250 -10.390 1.810 1.00 0.00 C ATOM 0 HA PRO A 60 26.738 -13.232 2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 60 28.109 -11.086 3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 60 27.980 -11.374 1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 60 26.419 -9.406 3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 60 27.058 -9.179 1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 60 24.409 -9.844 2.238 1.00 0.00 H new ATOM 0 HD3 PRO A 60 25.223 -10.224 0.733 1.00 0.00 H new ATOM 551 N GLY A 61 26.820 -13.370 4.890 1.00 0.00 N ATOM 552 CA GLY A 61 26.670 -13.790 6.300 1.00 0.00 C ATOM 553 C GLY A 61 25.210 -14.110 6.650 1.00 0.00 C ATOM 554 O GLY A 61 24.750 -13.910 7.770 1.00 0.00 O ATOM 0 H GLY A 61 27.561 -13.872 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 61 27.288 -14.668 6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 61 27.035 -12.999 6.955 1.00 0.00 H new ATOM 556 N ALA A 62 24.480 -14.590 5.640 1.00 0.00 N ATOM 557 CA ALA A 62 23.060 -14.930 5.780 1.00 0.00 C ATOM 558 C ALA A 62 23.020 -16.420 6.080 1.00 0.00 C ATOM 559 O ALA A 62 23.090 -17.250 5.170 1.00 0.00 O ATOM 560 CB ALA A 62 22.290 -14.570 4.510 1.00 0.00 C ATOM 0 H ALA A 62 24.854 -14.754 4.705 1.00 0.00 H new ATOM 0 HA ALA A 62 22.579 -14.367 6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 62 21.239 -14.831 4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 62 22.379 -13.500 4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.702 -15.122 3.666 1.00 0.00 H new ATOM 562 N ARG A 63 23.090 -16.720 7.380 1.00 0.00 N ATOM 563 CA ARG A 63 22.990 -18.100 7.890 1.00 0.00 C ATOM 564 C ARG A 63 21.900 -18.920 7.180 1.00 0.00 C ATOM 565 O ARG A 63 22.000 -20.140 7.030 1.00 0.00 O ATOM 566 CB ARG A 63 22.700 -18.140 9.400 1.00 0.00 C ATOM 567 CG ARG A 63 24.020 -18.190 10.180 1.00 0.00 C ATOM 568 CD ARG A 63 24.140 -17.030 11.160 1.00 0.00 C ATOM 569 NE ARG A 63 23.830 -17.440 12.540 1.00 0.00 N ATOM 570 CZ ARG A 63 23.640 -16.620 13.570 1.00 0.00 C ATOM 571 NH1 ARG A 63 23.670 -15.300 13.420 1.00 0.00 N ATOM 572 NH2 ARG A 63 23.410 -17.100 14.780 1.00 0.00 N ATOM 0 H ARG A 63 23.217 -16.019 8.110 1.00 0.00 H new ATOM 0 HA ARG A 63 23.965 -18.543 7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 63 22.127 -17.261 9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 63 22.092 -19.012 9.640 1.00 0.00 H new ATOM 0 HG2 ARG A 63 24.087 -19.133 10.723 1.00 0.00 H new ATOM 0 HG3 ARG A 63 24.857 -18.164 9.482 1.00 0.00 H new ATOM 0 HD2 ARG A 63 25.151 -16.625 11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 63 23.464 -16.230 10.859 1.00 0.00 H new ATOM 0 HE ARG A 63 23.754 -18.441 12.722 1.00 0.00 H new ATOM 0 HH11 ARG A 63 23.842 -14.895 12.500 1.00 0.00 H new ATOM 0 HH12 ARG A 63 23.521 -14.692 14.225 1.00 0.00 H new ATOM 0 HH21 ARG A 63 23.377 -18.108 14.931 1.00 0.00 H new ATOM 0 HH22 ARG A 63 23.266 -16.462 15.563 1.00 0.00 H new ATOM 579 N THR A 64 20.880 -18.200 6.740 1.00 0.00 N ATOM 580 CA THR A 64 19.750 -18.770 6.010 1.00 0.00 C ATOM 581 C THR A 64 19.550 -18.020 4.680 1.00 0.00 C ATOM 582 O THR A 64 20.360 -17.190 4.270 1.00 0.00 O ATOM 583 CB THR A 64 18.510 -18.690 6.920 1.00 0.00 C ATOM 584 OG1 THR A 64 18.130 -17.320 7.070 1.00 0.00 O ATOM 585 CG2 THR A 64 18.730 -19.350 8.290 1.00 0.00 C ATOM 0 H THR A 64 20.809 -17.192 6.879 1.00 0.00 H new ATOM 0 HA THR A 64 19.932 -19.814 5.755 1.00 0.00 H new ATOM 0 HB THR A 64 17.707 -19.251 6.443 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.340 -17.261 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.822 -19.262 8.886 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.972 -20.404 8.152 1.00 0.00 H new ATOM 0 HG23 THR A 64 19.552 -18.853 8.805 1.00 0.00 H new ATOM 588 N ARG A 65 18.370 -18.210 4.090 1.00 0.00 N ATOM 589 CA ARG A 65 17.950 -17.470 2.880 1.00 0.00 C ATOM 590 C ARG A 65 17.910 -15.950 3.070 1.00 0.00 C ATOM 591 O ARG A 65 17.910 -15.200 2.090 1.00 0.00 O ATOM 592 CB ARG A 65 16.590 -17.980 2.420 1.00 0.00 C ATOM 593 CG ARG A 65 16.850 -18.900 1.240 1.00 0.00 C ATOM 594 CD ARG A 65 15.660 -19.790 0.910 1.00 0.00 C ATOM 595 NE ARG A 65 15.580 -20.890 1.870 1.00 0.00 N ATOM 596 CZ ARG A 65 14.540 -21.690 2.040 1.00 0.00 C ATOM 597 NH1 ARG A 65 13.390 -21.520 1.390 1.00 0.00 N ATOM 598 NH2 ARG A 65 14.660 -22.680 2.900 1.00 0.00 N ATOM 0 H ARG A 65 17.675 -18.876 4.428 1.00 0.00 H new ATOM 0 HA ARG A 65 18.706 -17.657 2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.084 -18.514 3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.943 -17.152 2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.102 -18.299 0.366 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.716 -19.525 1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.740 -19.206 0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.759 -20.185 -0.101 1.00 0.00 H new ATOM 0 HE ARG A 65 16.396 -21.055 2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.286 -20.749 0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.613 -22.161 1.552 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.534 -22.810 3.409 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.879 -23.317 3.057 1.00 0.00 H new ATOM 605 N GLY A 66 17.930 -15.550 4.340 1.00 0.00 N ATOM 606 CA GLY A 66 17.880 -14.150 4.750 1.00 0.00 C ATOM 607 C GLY A 66 16.490 -13.610 4.440 1.00 0.00 C ATOM 608 O GLY A 66 15.770 -14.050 3.550 1.00 0.00 O ATOM 0 H GLY A 66 17.982 -16.200 5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.094 -14.058 5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.638 -13.572 4.222 1.00 0.00 H new ATOM 610 N THR A 67 16.150 -12.610 5.220 1.00 0.00 N ATOM 611 CA THR A 67 14.890 -11.870 5.060 1.00 0.00 C ATOM 612 C THR A 67 14.840 -11.050 3.750 1.00 0.00 C ATOM 613 O THR A 67 13.810 -10.530 3.310 1.00 0.00 O ATOM 614 CB THR A 67 14.740 -11.010 6.310 1.00 0.00 C ATOM 615 OG1 THR A 67 15.950 -10.290 6.530 1.00 0.00 O ATOM 616 CG2 THR A 67 14.360 -11.830 7.550 1.00 0.00 C ATOM 0 H THR A 67 16.731 -12.275 5.989 1.00 0.00 H new ATOM 0 HA THR A 67 14.048 -12.555 4.965 1.00 0.00 H new ATOM 0 HB THR A 67 13.918 -10.314 6.143 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.820 -9.350 6.286 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.267 -11.167 8.410 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.409 -12.334 7.376 1.00 0.00 H new ATOM 0 HG23 THR A 67 15.134 -12.572 7.746 1.00 0.00 H new ATOM 619 N ARG A 68 15.980 -10.990 3.080 1.00 0.00 N ATOM 620 CA ARG A 68 16.150 -10.320 1.780 1.00 0.00 C ATOM 621 C ARG A 68 15.430 -11.100 0.680 1.00 0.00 C ATOM 622 O ARG A 68 15.710 -12.270 0.420 1.00 0.00 O ATOM 623 CB ARG A 68 17.650 -10.240 1.460 1.00 0.00 C ATOM 624 CG ARG A 68 18.470 -9.650 2.600 1.00 0.00 C ATOM 625 CD ARG A 68 18.590 -8.140 2.530 1.00 0.00 C ATOM 626 NE ARG A 68 20.010 -7.760 2.430 1.00 0.00 N ATOM 627 CZ ARG A 68 20.520 -6.580 2.770 1.00 0.00 C ATOM 628 NH1 ARG A 68 19.740 -5.590 3.200 1.00 0.00 N ATOM 629 NH2 ARG A 68 21.820 -6.360 2.670 1.00 0.00 N ATOM 0 H ARG A 68 16.841 -11.414 3.426 1.00 0.00 H new ATOM 0 HA ARG A 68 15.722 -9.319 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 68 18.021 -11.239 1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.793 -9.634 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.013 -9.928 3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 68 19.468 -10.088 2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.040 -7.761 1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.144 -7.688 3.416 1.00 0.00 H new ATOM 0 HE ARG A 68 20.657 -8.462 2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.732 -5.730 3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.150 -4.692 3.456 1.00 0.00 H new ATOM 0 HH21 ARG A 68 22.437 -7.098 2.331 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.205 -5.453 2.932 1.00 0.00 H new ATOM 636 N ARG A 69 14.440 -10.440 0.120 1.00 0.00 N ATOM 637 CA ARG A 69 13.630 -11.000 -0.970 1.00 0.00 C ATOM 638 C ARG A 69 13.340 -9.910 -2.000 1.00 0.00 C ATOM 639 O ARG A 69 13.060 -8.760 -1.660 1.00 0.00 O ATOM 640 CB ARG A 69 12.350 -11.600 -0.380 1.00 0.00 C ATOM 641 CG ARG A 69 11.330 -12.130 -1.390 1.00 0.00 C ATOM 642 CD ARG A 69 11.500 -13.620 -1.670 1.00 0.00 C ATOM 643 NE ARG A 69 10.170 -14.250 -1.670 1.00 0.00 N ATOM 644 CZ ARG A 69 9.940 -15.570 -1.710 1.00 0.00 C ATOM 645 NH1 ARG A 69 10.920 -16.430 -1.810 1.00 0.00 N ATOM 646 NH2 ARG A 69 8.710 -16.050 -1.680 1.00 0.00 N ATOM 0 H ARG A 69 14.164 -9.499 0.399 1.00 0.00 H new ATOM 0 HA ARG A 69 14.167 -11.797 -1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 69 12.629 -12.416 0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.864 -10.840 0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.323 -11.948 -1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.427 -11.575 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.991 -13.771 -2.632 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.136 -14.078 -0.912 1.00 0.00 H new ATOM 0 HE ARG A 69 9.358 -13.633 -1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.884 -16.101 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.720 -17.430 -1.839 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.915 -15.413 -1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.555 -17.058 -1.711 1.00 0.00 H new ATOM 653 N ILE A 70 13.450 -10.320 -3.250 1.00 0.00 N ATOM 654 CA ILE A 70 13.130 -9.450 -4.380 1.00 0.00 C ATOM 655 C ILE A 70 11.830 -9.940 -5.040 1.00 0.00 C ATOM 656 O ILE A 70 11.620 -11.140 -5.220 1.00 0.00 O ATOM 657 CB ILE A 70 14.350 -9.390 -5.310 1.00 0.00 C ATOM 658 CG1 ILE A 70 15.280 -8.290 -4.800 1.00 0.00 C ATOM 659 CG2 ILE A 70 13.990 -9.240 -6.790 1.00 0.00 C ATOM 660 CD1 ILE A 70 16.540 -8.030 -5.640 1.00 0.00 C ATOM 0 H ILE A 70 13.760 -11.255 -3.515 1.00 0.00 H new ATOM 0 HA ILE A 70 12.932 -8.423 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 70 14.868 -10.348 -5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 70 14.712 -7.362 -4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 70 15.589 -8.544 -3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 70 14.903 -9.205 -7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.384 -10.090 -7.105 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.426 -8.319 -6.936 1.00 0.00 H new ATOM 0 HD11 ILE A 70 17.123 -7.230 -5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 70 17.142 -8.938 -5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 70 16.250 -7.737 -6.649 1.00 0.00 H new ATOM 662 N ILE A 71 11.030 -8.960 -5.440 1.00 0.00 N ATOM 663 CA ILE A 71 9.720 -9.210 -6.050 1.00 0.00 C ATOM 664 C ILE A 71 9.610 -8.420 -7.350 1.00 0.00 C ATOM 665 O ILE A 71 9.600 -7.200 -7.350 1.00 0.00 O ATOM 666 CB ILE A 71 8.570 -8.860 -5.100 1.00 0.00 C ATOM 667 CG1 ILE A 71 8.780 -9.380 -3.660 1.00 0.00 C ATOM 668 CG2 ILE A 71 7.240 -9.360 -5.680 1.00 0.00 C ATOM 669 CD1 ILE A 71 8.930 -10.900 -3.550 1.00 0.00 C ATOM 0 H ILE A 71 11.265 -7.971 -5.353 1.00 0.00 H new ATOM 0 HA ILE A 71 9.638 -10.276 -6.263 1.00 0.00 H new ATOM 0 HB ILE A 71 8.546 -7.773 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 71 9.670 -8.909 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.936 -9.065 -3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.428 -9.107 -4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.064 -8.887 -6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.283 -10.442 -5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.073 -11.177 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.031 -11.383 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.792 -11.224 -4.133 1.00 0.00 H new ATOM 671 N THR A 72 9.680 -9.110 -8.460 1.00 0.00 N ATOM 672 CA THR A 72 9.600 -8.500 -9.800 1.00 0.00 C ATOM 673 C THR A 72 8.150 -8.280 -10.210 1.00 0.00 C ATOM 674 O THR A 72 7.220 -8.770 -9.570 1.00 0.00 O ATOM 675 CB THR A 72 10.290 -9.380 -10.830 1.00 0.00 C ATOM 676 OG1 THR A 72 10.340 -10.680 -10.240 1.00 0.00 O ATOM 677 CG2 THR A 72 11.670 -8.880 -11.270 1.00 0.00 C ATOM 0 H THR A 72 9.795 -10.123 -8.479 1.00 0.00 H new ATOM 0 HA THR A 72 10.105 -7.535 -9.757 1.00 0.00 H new ATOM 0 HB THR A 72 9.729 -9.374 -11.765 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.203 -11.098 -10.442 1.00 0.00 H new ATOM 0 HG21 THR A 72 12.089 -9.567 -12.005 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.574 -7.889 -11.714 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.331 -8.827 -10.405 1.00 0.00 H new ATOM 680 N GLY A 73 8.010 -7.500 -11.280 1.00 0.00 N ATOM 681 CA GLY A 73 6.700 -7.180 -11.850 1.00 0.00 C ATOM 682 C GLY A 73 6.660 -7.670 -13.300 1.00 0.00 C ATOM 683 O GLY A 73 7.690 -7.970 -13.910 1.00 0.00 O ATOM 0 H GLY A 73 8.794 -7.074 -11.774 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.909 -7.655 -11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.523 -6.105 -11.810 1.00 0.00 H new ATOM 685 N GLU A 74 5.470 -7.560 -13.870 1.00 0.00 N ATOM 686 CA GLU A 74 5.270 -7.910 -15.300 1.00 0.00 C ATOM 687 C GLU A 74 6.010 -6.940 -16.230 1.00 0.00 C ATOM 688 O GLU A 74 6.150 -7.180 -17.430 1.00 0.00 O ATOM 689 CB GLU A 74 3.790 -7.890 -15.650 1.00 0.00 C ATOM 690 CG GLU A 74 3.440 -8.580 -16.980 1.00 0.00 C ATOM 691 CD GLU A 74 2.640 -9.860 -16.730 1.00 0.00 C ATOM 692 OE1 GLU A 74 3.200 -10.770 -16.080 1.00 0.00 O ATOM 693 OE2 GLU A 74 1.460 -9.890 -17.140 1.00 0.00 O ATOM 0 H GLU A 74 4.630 -7.238 -13.389 1.00 0.00 H new ATOM 0 HA GLU A 74 5.675 -8.912 -15.443 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.233 -8.373 -14.847 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.454 -6.854 -15.693 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.863 -7.901 -17.607 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.354 -8.817 -17.524 1.00 0.00 H new ATOM 695 N ALA A 75 6.420 -5.820 -15.650 1.00 0.00 N ATOM 696 CA ALA A 75 7.230 -4.820 -16.340 1.00 0.00 C ATOM 697 C ALA A 75 8.650 -4.870 -15.770 1.00 0.00 C ATOM 698 O ALA A 75 8.870 -4.890 -14.560 1.00 0.00 O ATOM 699 CB ALA A 75 6.600 -3.440 -16.150 1.00 0.00 C ATOM 0 H ALA A 75 6.200 -5.577 -14.684 1.00 0.00 H new ATOM 0 HA ALA A 75 7.273 -5.024 -17.410 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.202 -2.691 -16.664 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.591 -3.440 -16.563 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.556 -3.203 -15.087 1.00 0.00 H new ATOM 701 N THR A 76 9.590 -4.980 -16.700 1.00 0.00 N ATOM 702 CA THR A 76 11.030 -4.940 -16.360 1.00 0.00 C ATOM 703 C THR A 76 11.290 -3.600 -15.680 1.00 0.00 C ATOM 704 O THR A 76 10.720 -2.580 -16.070 1.00 0.00 O ATOM 705 CB THR A 76 11.880 -5.180 -17.610 1.00 0.00 C ATOM 706 OG1 THR A 76 11.860 -6.590 -17.810 1.00 0.00 O ATOM 707 CG2 THR A 76 13.350 -4.730 -17.560 1.00 0.00 C ATOM 0 H THR A 76 9.396 -5.097 -17.694 1.00 0.00 H new ATOM 0 HA THR A 76 11.313 -5.736 -15.672 1.00 0.00 H new ATOM 0 HB THR A 76 11.447 -4.573 -18.405 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.389 -6.815 -18.603 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.833 -4.960 -18.510 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.396 -3.656 -17.380 1.00 0.00 H new ATOM 0 HG23 THR A 76 13.864 -5.255 -16.755 1.00 0.00 H new ATOM 710 N GLN A 77 12.160 -3.680 -14.670 1.00 0.00 N ATOM 711 CA GLN A 77 12.640 -2.540 -13.840 1.00 0.00 C ATOM 712 C GLN A 77 11.620 -2.190 -12.740 1.00 0.00 C ATOM 713 O GLN A 77 11.510 -1.060 -12.260 1.00 0.00 O ATOM 714 CB GLN A 77 12.990 -1.260 -14.640 1.00 0.00 C ATOM 715 CG GLN A 77 13.590 -1.560 -16.020 1.00 0.00 C ATOM 716 CD GLN A 77 14.870 -0.840 -16.350 1.00 0.00 C ATOM 717 OE1 GLN A 77 15.100 0.290 -15.950 1.00 0.00 O ATOM 718 NE2 GLN A 77 15.690 -1.490 -17.140 1.00 0.00 N ATOM 0 H GLN A 77 12.573 -4.568 -14.386 1.00 0.00 H new ATOM 0 HA GLN A 77 13.572 -2.894 -13.399 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.089 -0.659 -14.765 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.696 -0.661 -14.065 1.00 0.00 H new ATOM 0 HG2 GLN A 77 13.770 -2.633 -16.091 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.849 -1.310 -16.779 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.458 -2.434 -17.451 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.560 -1.052 -17.444 1.00 0.00 H new ATOM 722 N GLU A 78 10.940 -3.230 -12.290 1.00 0.00 N ATOM 723 CA GLU A 78 9.930 -3.150 -11.210 1.00 0.00 C ATOM 724 C GLU A 78 10.120 -4.260 -10.170 1.00 0.00 C ATOM 725 O GLU A 78 9.240 -5.080 -9.910 1.00 0.00 O ATOM 726 CB GLU A 78 8.510 -3.120 -11.770 1.00 0.00 C ATOM 727 CG GLU A 78 8.060 -1.690 -12.080 1.00 0.00 C ATOM 728 CD GLU A 78 6.590 -1.530 -11.720 1.00 0.00 C ATOM 729 OE1 GLU A 78 5.760 -2.280 -12.290 1.00 0.00 O ATOM 730 OE2 GLU A 78 6.320 -0.680 -10.840 1.00 0.00 O ATOM 0 H GLU A 78 11.064 -4.173 -12.659 1.00 0.00 H new ATOM 0 HA GLU A 78 10.085 -2.205 -10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.463 -3.722 -12.677 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.825 -3.571 -11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.663 -0.978 -11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.212 -1.471 -13.137 1.00 0.00 H new ATOM 732 N ASP A 79 11.320 -4.260 -9.610 1.00 0.00 N ATOM 733 CA ASP A 79 11.710 -5.210 -8.560 1.00 0.00 C ATOM 734 C ASP A 79 11.610 -4.550 -7.190 1.00 0.00 C ATOM 735 O ASP A 79 12.260 -3.540 -6.950 1.00 0.00 O ATOM 736 CB ASP A 79 13.140 -5.700 -8.780 1.00 0.00 C ATOM 737 CG ASP A 79 13.170 -7.200 -8.980 1.00 0.00 C ATOM 738 OD1 ASP A 79 12.250 -7.850 -8.450 1.00 0.00 O ATOM 739 OD2 ASP A 79 14.130 -7.690 -9.610 1.00 0.00 O ATOM 0 H ASP A 79 12.057 -3.603 -9.866 1.00 0.00 H new ATOM 0 HA ASP A 79 11.031 -6.062 -8.605 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.569 -5.204 -9.651 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.757 -5.431 -7.923 1.00 0.00 H new ATOM 741 N TYR A 80 10.810 -5.150 -6.330 1.00 0.00 N ATOM 742 CA TYR A 80 10.540 -4.680 -4.960 1.00 0.00 C ATOM 743 C TYR A 80 11.460 -5.400 -3.990 1.00 0.00 C ATOM 744 O TYR A 80 11.690 -6.610 -4.090 1.00 0.00 O ATOM 745 CB TYR A 80 9.090 -5.000 -4.600 1.00 0.00 C ATOM 746 CG TYR A 80 8.090 -4.540 -5.670 1.00 0.00 C ATOM 747 CD1 TYR A 80 7.620 -3.220 -5.640 1.00 0.00 C ATOM 748 CD2 TYR A 80 7.610 -5.450 -6.640 1.00 0.00 C ATOM 749 CE1 TYR A 80 6.650 -2.810 -6.570 1.00 0.00 C ATOM 750 CE2 TYR A 80 6.650 -5.040 -7.590 1.00 0.00 C ATOM 751 CZ TYR A 80 6.180 -3.720 -7.530 1.00 0.00 C ATOM 752 OH TYR A 80 5.270 -3.280 -8.450 1.00 0.00 O ATOM 0 H TYR A 80 10.307 -6.007 -6.561 1.00 0.00 H new ATOM 0 HA TYR A 80 10.711 -3.605 -4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.987 -6.075 -4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.843 -4.523 -3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.001 -2.523 -4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.980 -6.465 -6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.268 -1.800 -6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.287 -5.724 -8.343 1.00 0.00 H new ATOM 0 HH TYR A 80 5.033 -4.015 -9.053 1.00 0.00 H new ATOM 755 N TYR A 81 11.990 -4.640 -3.050 1.00 0.00 N ATOM 756 CA TYR A 81 12.950 -5.160 -2.070 1.00 0.00 C ATOM 757 C TYR A 81 12.360 -5.060 -0.670 1.00 0.00 C ATOM 758 O TYR A 81 12.000 -3.980 -0.200 1.00 0.00 O ATOM 759 CB TYR A 81 14.220 -4.320 -2.100 1.00 0.00 C ATOM 760 CG TYR A 81 15.440 -5.110 -1.610 1.00 0.00 C ATOM 761 CD1 TYR A 81 15.670 -5.240 -0.220 1.00 0.00 C ATOM 762 CD2 TYR A 81 16.330 -5.610 -2.570 1.00 0.00 C ATOM 763 CE1 TYR A 81 16.840 -5.890 0.210 1.00 0.00 C ATOM 764 CE2 TYR A 81 17.500 -6.260 -2.140 1.00 0.00 C ATOM 765 CZ TYR A 81 17.750 -6.380 -0.750 1.00 0.00 C ATOM 766 OH TYR A 81 18.920 -6.940 -0.350 1.00 0.00 O ATOM 0 H TYR A 81 11.775 -3.649 -2.937 1.00 0.00 H new ATOM 0 HA TYR A 81 13.172 -6.198 -2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 81 14.399 -3.969 -3.116 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.085 -3.436 -1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.962 -4.848 0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.120 -5.498 -3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 81 17.040 -6.013 1.264 1.00 0.00 H new ATOM 0 HE2 TYR A 81 18.199 -6.662 -2.859 1.00 0.00 H new ATOM 0 HH TYR A 81 19.662 -6.538 -0.848 1.00 0.00 H new ATOM 769 N THR A 82 12.320 -6.210 -0.030 1.00 0.00 N ATOM 770 CA THR A 82 11.820 -6.310 1.350 1.00 0.00 C ATOM 771 C THR A 82 12.950 -6.040 2.360 1.00 0.00 C ATOM 772 O THR A 82 12.960 -5.060 3.100 1.00 0.00 O ATOM 773 CB THR A 82 11.020 -7.610 1.610 1.00 0.00 C ATOM 774 OG1 THR A 82 11.500 -8.270 2.770 1.00 0.00 O ATOM 775 CG2 THR A 82 10.860 -8.580 0.440 1.00 0.00 C ATOM 0 H THR A 82 12.625 -7.096 -0.433 1.00 0.00 H new ATOM 0 HA THR A 82 11.083 -5.521 1.501 1.00 0.00 H new ATOM 0 HB THR A 82 10.001 -7.256 1.767 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.285 -8.809 2.538 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.280 -9.445 0.761 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.343 -8.080 -0.379 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.843 -8.907 0.102 1.00 0.00 H new ATOM 778 N GLY A 83 13.900 -6.960 2.350 1.00 0.00 N ATOM 779 CA GLY A 83 15.000 -6.980 3.340 1.00 0.00 C ATOM 780 C GLY A 83 14.520 -7.290 4.770 1.00 0.00 C ATOM 781 O GLY A 83 15.320 -7.330 5.700 1.00 0.00 O ATOM 0 H GLY A 83 13.944 -7.716 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 83 15.737 -7.726 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.504 -6.014 3.334 1.00 0.00 H new ATOM 783 N ASP A 84 13.220 -7.540 4.910 1.00 0.00 N ATOM 784 CA ASP A 84 12.590 -7.890 6.200 1.00 0.00 C ATOM 785 C ASP A 84 11.710 -9.150 6.130 1.00 0.00 C ATOM 786 O ASP A 84 11.030 -9.490 7.090 1.00 0.00 O ATOM 787 CB ASP A 84 11.750 -6.720 6.690 1.00 0.00 C ATOM 788 CG ASP A 84 12.470 -5.420 7.030 1.00 0.00 C ATOM 789 OD1 ASP A 84 13.640 -5.490 7.450 1.00 0.00 O ATOM 790 OD2 ASP A 84 11.790 -4.380 6.910 1.00 0.00 O ATOM 0 H ASP A 84 12.562 -7.508 4.132 1.00 0.00 H new ATOM 0 HA ASP A 84 13.402 -8.107 6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.005 -6.500 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.209 -7.045 7.579 1.00 0.00 H new ATOM 792 N HIS A 85 11.780 -9.840 4.990 1.00 0.00 N ATOM 793 CA HIS A 85 11.070 -11.080 4.630 1.00 0.00 C ATOM 794 C HIS A 85 9.580 -10.820 4.490 1.00 0.00 C ATOM 795 O HIS A 85 8.820 -10.920 5.460 1.00 0.00 O ATOM 796 CB HIS A 85 11.340 -12.150 5.690 1.00 0.00 C ATOM 797 CG HIS A 85 10.880 -13.530 5.290 1.00 0.00 C ATOM 798 ND1 HIS A 85 9.750 -14.080 5.710 1.00 0.00 N ATOM 799 CD2 HIS A 85 11.540 -14.390 4.530 1.00 0.00 C ATOM 800 CE1 HIS A 85 9.700 -15.310 5.210 1.00 0.00 C ATOM 801 NE2 HIS A 85 10.800 -15.490 4.490 1.00 0.00 N ATOM 0 H HIS A 85 12.382 -9.525 4.230 1.00 0.00 H new ATOM 0 HA HIS A 85 11.437 -11.437 3.668 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.409 -12.180 5.899 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.842 -11.865 6.616 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.489 -14.228 4.041 1.00 0.00 H new ATOM 0 HE1 HIS A 85 8.910 -16.030 5.362 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.039 -16.343 3.984 1.00 0.00 H new ATOM 805 N TYR A 86 9.230 -10.290 3.320 1.00 0.00 N ATOM 806 CA TYR A 86 7.850 -9.880 3.040 1.00 0.00 C ATOM 807 C TYR A 86 7.300 -8.880 4.070 1.00 0.00 C ATOM 808 O TYR A 86 6.110 -8.720 4.290 1.00 0.00 O ATOM 809 CB TYR A 86 6.950 -11.120 2.990 1.00 0.00 C ATOM 810 CG TYR A 86 7.110 -11.920 1.710 1.00 0.00 C ATOM 811 CD1 TYR A 86 7.020 -11.220 0.490 1.00 0.00 C ATOM 812 CD2 TYR A 86 7.230 -13.330 1.760 1.00 0.00 C ATOM 813 CE1 TYR A 86 7.060 -11.930 -0.710 1.00 0.00 C ATOM 814 CE2 TYR A 86 7.240 -14.050 0.550 1.00 0.00 C ATOM 815 CZ TYR A 86 7.140 -13.340 -0.660 1.00 0.00 C ATOM 816 OH TYR A 86 6.970 -13.990 -1.840 1.00 0.00 O ATOM 0 H TYR A 86 9.880 -10.133 2.550 1.00 0.00 H new ATOM 0 HA TYR A 86 7.855 -9.371 2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.176 -11.760 3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.910 -10.811 3.091 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.921 -10.145 0.484 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.312 -13.843 2.707 1.00 0.00 H new ATOM 0 HE1 TYR A 86 7.030 -11.413 -1.658 1.00 0.00 H new ATOM 0 HE2 TYR A 86 7.323 -15.127 0.551 1.00 0.00 H new ATOM 0 HH TYR A 86 6.077 -13.796 -2.195 1.00 0.00 H new ATOM 819 N ALA A 87 8.210 -8.160 4.720 1.00 0.00 N ATOM 820 CA ALA A 87 7.740 -7.210 5.730 1.00 0.00 C ATOM 821 C ALA A 87 7.690 -5.770 5.200 1.00 0.00 C ATOM 822 O ALA A 87 7.030 -4.920 5.780 1.00 0.00 O ATOM 823 CB ALA A 87 8.520 -7.330 7.040 1.00 0.00 C ATOM 0 H ALA A 87 9.219 -8.206 4.581 1.00 0.00 H new ATOM 0 HA ALA A 87 6.710 -7.482 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.137 -6.606 7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 87 8.404 -8.337 7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.576 -7.133 6.854 1.00 0.00 H new ATOM 825 N THR A 88 8.270 -5.590 4.010 1.00 0.00 N ATOM 826 CA THR A 88 8.380 -4.280 3.330 1.00 0.00 C ATOM 827 C THR A 88 8.700 -4.540 1.850 1.00 0.00 C ATOM 828 O THR A 88 8.790 -5.690 1.440 1.00 0.00 O ATOM 829 CB THR A 88 9.530 -3.470 3.940 1.00 0.00 C ATOM 830 OG1 THR A 88 10.630 -4.360 4.040 1.00 0.00 O ATOM 831 CG2 THR A 88 9.210 -2.860 5.300 1.00 0.00 C ATOM 0 H THR A 88 8.684 -6.355 3.478 1.00 0.00 H new ATOM 0 HA THR A 88 7.448 -3.726 3.442 1.00 0.00 H new ATOM 0 HB THR A 88 9.739 -2.613 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.310 -4.116 3.378 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.075 -2.304 5.662 1.00 0.00 H new ATOM 0 HG22 THR A 88 8.359 -2.186 5.205 1.00 0.00 H new ATOM 0 HG23 THR A 88 8.967 -3.654 6.007 1.00 0.00 H new ATOM 834 N PHE A 89 8.670 -3.470 1.050 1.00 0.00 N ATOM 835 CA PHE A 89 8.830 -3.540 -0.420 1.00 0.00 C ATOM 836 C PHE A 89 9.240 -2.160 -0.930 1.00 0.00 C ATOM 837 O PHE A 89 8.530 -1.180 -0.720 1.00 0.00 O ATOM 838 CB PHE A 89 7.520 -3.940 -1.110 1.00 0.00 C ATOM 839 CG PHE A 89 6.990 -5.300 -0.620 1.00 0.00 C ATOM 840 CD1 PHE A 89 7.470 -6.500 -1.200 1.00 0.00 C ATOM 841 CD2 PHE A 89 6.080 -5.330 0.460 1.00 0.00 C ATOM 842 CE1 PHE A 89 7.020 -7.740 -0.700 1.00 0.00 C ATOM 843 CE2 PHE A 89 5.660 -6.570 0.980 1.00 0.00 C ATOM 844 CZ PHE A 89 6.110 -7.760 0.380 1.00 0.00 C ATOM 0 H PHE A 89 8.534 -2.521 1.399 1.00 0.00 H new ATOM 0 HA PHE A 89 9.586 -4.292 -0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.768 -3.173 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.678 -3.982 -2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.174 -6.466 -2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.709 -4.409 0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 89 7.368 -8.664 -1.138 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.998 -6.607 1.832 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.752 -8.708 0.753 1.00 0.00 H new ATOM 846 N SER A 90 10.450 -2.120 -1.440 1.00 0.00 N ATOM 847 CA SER A 90 11.040 -0.870 -1.940 1.00 0.00 C ATOM 848 C SER A 90 11.640 -1.130 -3.320 1.00 0.00 C ATOM 849 O SER A 90 12.590 -1.900 -3.430 1.00 0.00 O ATOM 850 CB SER A 90 12.160 -0.330 -1.050 1.00 0.00 C ATOM 851 OG SER A 90 11.930 -0.670 0.320 1.00 0.00 O ATOM 0 H SER A 90 11.058 -2.935 -1.526 1.00 0.00 H new ATOM 0 HA SER A 90 10.239 -0.131 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.117 -0.738 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.223 0.753 -1.155 1.00 0.00 H new ATOM 0 HG SER A 90 12.659 -0.317 0.872 1.00 0.00 H new ATOM 854 N LEU A 91 10.940 -0.650 -4.350 1.00 0.00 N ATOM 855 CA LEU A 91 11.400 -0.770 -5.750 1.00 0.00 C ATOM 856 C LEU A 91 12.900 -0.490 -5.890 1.00 0.00 C ATOM 857 O LEU A 91 13.530 0.060 -5.010 1.00 0.00 O ATOM 858 CB LEU A 91 10.630 0.160 -6.690 1.00 0.00 C ATOM 859 CG LEU A 91 9.300 -0.450 -7.140 1.00 0.00 C ATOM 860 CD1 LEU A 91 8.490 0.530 -7.990 1.00 0.00 C ATOM 861 CD2 LEU A 91 9.550 -1.710 -7.960 1.00 0.00 C ATOM 0 H LEU A 91 10.046 -0.170 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 91 11.205 -1.804 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.442 1.109 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.242 0.379 -7.565 1.00 0.00 H new ATOM 0 HG LEU A 91 8.734 -0.689 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.553 0.062 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.277 1.427 -7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.062 0.801 -8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.597 -2.135 -8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.143 -1.460 -8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 91 10.089 -2.438 -7.354 1.00 0.00 H new ATOM 863 N ILE A 92 13.490 -0.860 -7.010 1.00 0.00 N ATOM 864 CA ILE A 92 14.930 -0.630 -7.220 1.00 0.00 C ATOM 865 C ILE A 92 15.110 0.420 -8.300 1.00 0.00 C ATOM 866 O ILE A 92 14.520 0.330 -9.380 1.00 0.00 O ATOM 867 CB ILE A 92 15.620 -1.980 -7.500 1.00 0.00 C ATOM 868 CG1 ILE A 92 15.990 -2.710 -6.210 1.00 0.00 C ATOM 869 CG2 ILE A 92 16.920 -1.840 -8.300 1.00 0.00 C ATOM 870 CD1 ILE A 92 14.830 -3.200 -5.340 1.00 0.00 C ATOM 0 H ILE A 92 13.013 -1.316 -7.787 1.00 0.00 H new ATOM 0 HA ILE A 92 15.417 -0.228 -6.331 1.00 0.00 H new ATOM 0 HB ILE A 92 14.884 -2.540 -8.077 1.00 0.00 H new ATOM 0 HG12 ILE A 92 16.607 -3.570 -6.471 1.00 0.00 H new ATOM 0 HG13 ILE A 92 16.609 -2.045 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 92 17.355 -2.826 -8.463 1.00 0.00 H new ATOM 0 HG22 ILE A 92 16.707 -1.374 -9.262 1.00 0.00 H new ATOM 0 HG23 ILE A 92 17.624 -1.220 -7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 92 15.225 -3.701 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 92 14.220 -2.350 -5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 92 14.218 -3.899 -5.910 1.00 0.00 H new ATOM 872 N ASP A 93 16.000 1.350 -8.010 1.00 0.00 N ATOM 873 CA ASP A 93 16.320 2.400 -8.980 1.00 0.00 C ATOM 874 C ASP A 93 17.750 2.200 -9.460 1.00 0.00 C ATOM 875 O ASP A 93 18.680 2.690 -8.830 1.00 0.00 O ATOM 876 CB ASP A 93 16.140 3.770 -8.310 1.00 0.00 C ATOM 877 CG ASP A 93 15.270 4.720 -9.130 1.00 0.00 C ATOM 878 OD1 ASP A 93 14.720 4.290 -10.170 1.00 0.00 O ATOM 879 OD2 ASP A 93 15.170 5.890 -8.700 1.00 0.00 O ATOM 0 H ASP A 93 16.511 1.408 -7.129 1.00 0.00 H new ATOM 0 HA ASP A 93 15.655 2.352 -9.842 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.692 3.632 -7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 93 17.118 4.224 -8.154 1.00 0.00 H new ATOM 881 N GLN A 94 17.900 1.490 -10.580 1.00 0.00 N ATOM 882 CA GLN A 94 19.250 1.220 -11.150 1.00 0.00 C ATOM 883 C GLN A 94 20.030 2.510 -11.420 1.00 0.00 C ATOM 884 O GLN A 94 21.190 2.630 -11.040 1.00 0.00 O ATOM 885 CB GLN A 94 19.180 0.420 -12.450 1.00 0.00 C ATOM 886 CG GLN A 94 18.250 -0.790 -12.390 1.00 0.00 C ATOM 887 CD GLN A 94 17.000 -0.570 -13.250 1.00 0.00 C ATOM 888 OE1 GLN A 94 16.870 0.400 -13.980 1.00 0.00 O ATOM 889 NE2 GLN A 94 16.030 -1.440 -13.100 1.00 0.00 N ATOM 0 H GLN A 94 17.127 1.092 -11.113 1.00 0.00 H new ATOM 0 HA GLN A 94 19.770 0.633 -10.393 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.849 1.080 -13.252 1.00 0.00 H new ATOM 0 HB3 GLN A 94 20.183 0.081 -12.710 1.00 0.00 H new ATOM 0 HG2 GLN A 94 18.781 -1.678 -12.735 1.00 0.00 H new ATOM 0 HG3 GLN A 94 17.956 -0.976 -11.357 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.157 -2.244 -12.486 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.149 -1.312 -13.598 1.00 0.00 H new ATOM 893 N THR A 95 19.290 3.510 -11.880 1.00 0.00 N ATOM 894 CA THR A 95 19.770 4.900 -12.090 1.00 0.00 C ATOM 895 C THR A 95 20.400 5.510 -10.820 1.00 0.00 C ATOM 896 O THR A 95 21.490 6.070 -10.850 1.00 0.00 O ATOM 897 CB THR A 95 18.670 5.830 -12.630 1.00 0.00 C ATOM 898 OG1 THR A 95 19.110 7.180 -12.510 1.00 0.00 O ATOM 899 CG2 THR A 95 17.290 5.660 -11.960 1.00 0.00 C ATOM 0 H THR A 95 18.308 3.389 -12.129 1.00 0.00 H new ATOM 0 HA THR A 95 20.549 4.821 -12.848 1.00 0.00 H new ATOM 0 HB THR A 95 18.514 5.551 -13.672 1.00 0.00 H new ATOM 0 HG1 THR A 95 18.417 7.782 -12.853 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.581 6.357 -12.406 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.937 4.639 -12.107 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.376 5.864 -10.893 1.00 0.00 H new ATOM 902 N CYS A 96 19.710 5.340 -9.710 1.00 0.00 N ATOM 903 CA CYS A 96 20.200 5.860 -8.420 1.00 0.00 C ATOM 904 C CYS A 96 21.090 4.780 -7.770 1.00 0.00 C ATOM 905 O CYS A 96 22.270 5.020 -7.440 1.00 0.00 O ATOM 906 CB CYS A 96 18.990 6.230 -7.550 1.00 0.00 C ATOM 907 SG CYS A 96 19.490 7.170 -6.060 1.00 0.00 S ATOM 908 OXT CYS A 96 20.570 3.680 -7.610 1.00 0.00 O ATOM 0 H CYS A 96 18.815 4.853 -9.660 1.00 0.00 H new ATOM 0 HA CYS A 96 20.802 6.760 -8.545 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.288 6.823 -8.136 1.00 0.00 H new ATOM 0 HB3 CYS A 96 18.467 5.322 -7.249 1.00 0.00 H new TER 910 CYS A 96