USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 993 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 44 ASN : amide:sc= -5.62! C(o=-11!,f=-10!) USER MOD Set 1.2: A 45 GLN : amide:sc= -5.01! C(o=-11!,f=-11!) USER MOD Set 2.1: A 30 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-0.11) USER MOD Set 2.2: A 33 LYS NZ :NH3+ -137:sc= 0 (180deg=0) USER MOD Single : A 1 ASP N :NH3+ 153:sc= 0.00549 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -3.49! C(o=-3.5!,f=-6.9!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 0.00628 (180deg=0) USER MOD Single : A 17 MET CE :methyl -155:sc= -2.89! (180deg=-3.05!) USER MOD Single : A 22 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.58) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.32! C(o=-2.3!,f=-1.3!) USER MOD Single : A 47 THR OG1 : rot -127:sc= 0.752 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= 0.183 (180deg=0.0681) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0092 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0298 K(o=-0.03,f=-0.83!) USER MOD Single : A 74 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.03) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.45 K(o=-1.4,f=-4.1!) USER MOD Single : A 85 GLN : amide:sc= -1.46 K(o=-1.5,f=-3.9!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0.321 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 21:sc= -6.77! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0525 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -89:sc= -0.374 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 156:sc= -0.323 (180deg=-1.29) USER MOD Single : A 114 ASN : amide:sc= -0.0412 X(o=-0.041,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : A 124 HIS : no HD1:sc= -1.01 K(o=-1,f=0.06) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -1.148 0.369 0.892 1.00 0.59 N ATOM 2 CA ASP A 1 0.068 1.128 0.490 1.00 0.60 C ATOM 3 C ASP A 1 1.079 1.117 1.637 1.00 0.54 C ATOM 4 O ASP A 1 0.829 0.572 2.692 1.00 0.60 O ATOM 5 CB ASP A 1 -0.315 2.575 0.172 1.00 0.67 C ATOM 6 CG ASP A 1 0.102 2.911 -1.260 1.00 0.51 C ATOM 7 OD1 ASP A 1 1.244 3.297 -1.447 1.00 1.34 O ATOM 8 OD2 ASP A 1 -0.727 2.775 -2.143 1.00 0.41 O ATOM 0 H1 ASP A 1 -1.971 0.730 0.369 1.00 0.59 H new ATOM 0 H2 ASP A 1 -1.015 -0.639 0.675 1.00 0.59 H new ATOM 0 H3 ASP A 1 -1.308 0.486 1.913 1.00 0.59 H new ATOM 0 HA ASP A 1 0.509 0.663 -0.392 1.00 0.60 H new ATOM 0 HB2 ASP A 1 -1.390 2.712 0.291 1.00 0.67 H new ATOM 0 HB3 ASP A 1 0.172 3.253 0.872 1.00 0.67 H new ATOM 15 N GLN A 2 2.218 1.721 1.439 1.00 0.59 N ATOM 16 CA GLN A 2 3.241 1.752 2.519 1.00 0.52 C ATOM 17 C GLN A 2 3.116 3.064 3.295 1.00 0.40 C ATOM 18 O GLN A 2 2.685 4.069 2.768 1.00 0.35 O ATOM 19 CB GLN A 2 4.640 1.650 1.903 1.00 0.55 C ATOM 20 CG GLN A 2 4.933 2.908 1.084 1.00 1.21 C ATOM 21 CD GLN A 2 6.444 3.150 1.042 1.00 0.77 C ATOM 22 OE1 GLN A 2 7.068 3.338 2.067 1.00 1.07 O ATOM 23 NE2 GLN A 2 7.066 3.153 -0.106 1.00 0.38 N ATOM 0 H GLN A 2 2.484 2.194 0.575 1.00 0.59 H new ATOM 0 HA GLN A 2 3.084 0.912 3.196 1.00 0.52 H new ATOM 0 HB2 GLN A 2 5.387 1.533 2.689 1.00 0.55 H new ATOM 0 HB3 GLN A 2 4.705 0.767 1.268 1.00 0.55 H new ATOM 0 HG2 GLN A 2 4.544 2.795 0.072 1.00 1.21 H new ATOM 0 HG3 GLN A 2 4.428 3.768 1.525 1.00 1.21 H new ATOM 0 HE21 GLN A 2 6.545 2.995 -0.969 1.00 0.38 H new ATOM 0 HE22 GLN A 2 8.073 3.313 -0.140 1.00 0.38 H new ATOM 32 N VAL A 3 3.497 3.063 4.541 1.00 0.34 N ATOM 33 CA VAL A 3 3.409 4.305 5.350 1.00 0.21 C ATOM 34 C VAL A 3 4.812 4.889 5.515 1.00 0.15 C ATOM 35 O VAL A 3 5.801 4.207 5.332 1.00 0.28 O ATOM 36 CB VAL A 3 2.830 3.973 6.723 1.00 0.20 C ATOM 37 CG1 VAL A 3 1.449 3.338 6.556 1.00 0.50 C ATOM 38 CG2 VAL A 3 3.758 2.996 7.449 1.00 0.63 C ATOM 0 H VAL A 3 3.867 2.251 5.034 1.00 0.34 H new ATOM 0 HA VAL A 3 2.765 5.029 4.852 1.00 0.21 H new ATOM 0 HB VAL A 3 2.740 4.888 7.308 1.00 0.20 H new ATOM 0 HG11 VAL A 3 1.036 3.101 7.537 1.00 0.50 H new ATOM 0 HG12 VAL A 3 0.787 4.036 6.043 1.00 0.50 H new ATOM 0 HG13 VAL A 3 1.538 2.424 5.969 1.00 0.50 H new ATOM 0 HG21 VAL A 3 3.343 2.760 8.429 1.00 0.63 H new ATOM 0 HG22 VAL A 3 3.852 2.081 6.865 1.00 0.63 H new ATOM 0 HG23 VAL A 3 4.741 3.451 7.571 1.00 0.63 H new ATOM 48 N ASP A 4 4.915 6.144 5.849 1.00 0.13 N ATOM 49 CA ASP A 4 6.267 6.747 6.006 1.00 0.32 C ATOM 50 C ASP A 4 6.720 6.653 7.466 1.00 0.23 C ATOM 51 O ASP A 4 6.110 7.213 8.354 1.00 0.42 O ATOM 52 CB ASP A 4 6.229 8.216 5.579 1.00 0.63 C ATOM 53 CG ASP A 4 7.647 8.790 5.611 1.00 0.67 C ATOM 54 OD1 ASP A 4 8.486 8.210 6.282 1.00 0.83 O ATOM 55 OD2 ASP A 4 7.871 9.798 4.962 1.00 0.60 O ATOM 0 H ASP A 4 4.130 6.773 6.019 1.00 0.13 H new ATOM 0 HA ASP A 4 6.971 6.202 5.378 1.00 0.32 H new ATOM 0 HB2 ASP A 4 5.811 8.304 4.576 1.00 0.63 H new ATOM 0 HB3 ASP A 4 5.580 8.784 6.246 1.00 0.63 H new ATOM 60 N VAL A 5 7.796 5.955 7.711 1.00 0.16 N ATOM 61 CA VAL A 5 8.320 5.823 9.101 1.00 0.13 C ATOM 62 C VAL A 5 9.849 5.855 9.044 1.00 0.17 C ATOM 63 O VAL A 5 10.440 5.566 8.023 1.00 0.14 O ATOM 64 CB VAL A 5 7.866 4.492 9.714 1.00 0.21 C ATOM 65 CG1 VAL A 5 6.337 4.398 9.698 1.00 0.36 C ATOM 66 CG2 VAL A 5 8.457 3.330 8.907 1.00 0.17 C ATOM 0 H VAL A 5 8.340 5.466 7.000 1.00 0.16 H new ATOM 0 HA VAL A 5 7.941 6.640 9.715 1.00 0.13 H new ATOM 0 HB VAL A 5 8.215 4.439 10.745 1.00 0.21 H new ATOM 0 HG11 VAL A 5 6.026 3.449 10.135 1.00 0.36 H new ATOM 0 HG12 VAL A 5 5.916 5.220 10.277 1.00 0.36 H new ATOM 0 HG13 VAL A 5 5.980 4.458 8.670 1.00 0.36 H new ATOM 0 HG21 VAL A 5 8.135 2.384 9.342 1.00 0.17 H new ATOM 0 HG22 VAL A 5 8.112 3.391 7.875 1.00 0.17 H new ATOM 0 HG23 VAL A 5 9.545 3.388 8.930 1.00 0.17 H new ATOM 76 N LYS A 6 10.497 6.199 10.122 1.00 0.32 N ATOM 77 CA LYS A 6 11.988 6.240 10.107 1.00 0.37 C ATOM 78 C LYS A 6 12.540 5.193 11.077 1.00 0.41 C ATOM 79 O LYS A 6 12.440 5.332 12.279 1.00 0.47 O ATOM 80 CB LYS A 6 12.471 7.630 10.529 1.00 0.47 C ATOM 81 CG LYS A 6 13.975 7.751 10.269 1.00 0.76 C ATOM 82 CD LYS A 6 14.221 8.767 9.151 1.00 1.49 C ATOM 83 CE LYS A 6 14.792 8.052 7.924 1.00 3.95 C ATOM 84 NZ LYS A 6 16.220 8.439 7.744 1.00 4.40 N ATOM 0 H LYS A 6 10.062 6.453 11.009 1.00 0.32 H new ATOM 0 HA LYS A 6 12.342 6.025 9.099 1.00 0.37 H new ATOM 0 HB2 LYS A 6 11.933 8.398 9.973 1.00 0.47 H new ATOM 0 HB3 LYS A 6 12.260 7.794 11.586 1.00 0.47 H new ATOM 0 HG2 LYS A 6 14.488 8.064 11.178 1.00 0.76 H new ATOM 0 HG3 LYS A 6 14.386 6.781 9.990 1.00 0.76 H new ATOM 0 HD2 LYS A 6 13.289 9.269 8.891 1.00 1.49 H new ATOM 0 HD3 LYS A 6 14.914 9.537 9.491 1.00 1.49 H new ATOM 0 HE2 LYS A 6 14.709 6.972 8.048 1.00 3.95 H new ATOM 0 HE3 LYS A 6 14.218 8.316 7.036 1.00 3.95 H new ATOM 0 HZ1 LYS A 6 16.609 7.954 6.910 1.00 4.40 H new ATOM 0 HZ2 LYS A 6 16.286 9.468 7.608 1.00 4.40 H new ATOM 0 HZ3 LYS A 6 16.763 8.166 8.588 1.00 4.40 H new ATOM 98 N ASP A 7 13.124 4.145 10.561 1.00 0.38 N ATOM 99 CA ASP A 7 13.683 3.084 11.448 1.00 0.42 C ATOM 100 C ASP A 7 14.468 3.727 12.595 1.00 0.40 C ATOM 101 O ASP A 7 15.282 4.606 12.390 1.00 0.71 O ATOM 102 CB ASP A 7 14.617 2.183 10.636 1.00 0.53 C ATOM 103 CG ASP A 7 15.696 3.039 9.972 1.00 2.67 C ATOM 104 OD1 ASP A 7 15.349 4.067 9.416 1.00 3.73 O ATOM 105 OD2 ASP A 7 16.851 2.655 10.035 1.00 3.45 O ATOM 0 H ASP A 7 13.238 3.978 9.561 1.00 0.38 H new ATOM 0 HA ASP A 7 12.866 2.491 11.859 1.00 0.42 H new ATOM 0 HB2 ASP A 7 15.077 1.438 11.285 1.00 0.53 H new ATOM 0 HB3 ASP A 7 14.050 1.641 9.879 1.00 0.53 H new ATOM 110 N CYS A 8 14.230 3.288 13.801 1.00 0.33 N ATOM 111 CA CYS A 8 14.960 3.864 14.965 1.00 0.23 C ATOM 112 C CYS A 8 15.962 2.836 15.500 1.00 0.16 C ATOM 113 O CYS A 8 16.708 3.104 16.420 1.00 0.30 O ATOM 114 CB CYS A 8 13.959 4.216 16.067 1.00 0.24 C ATOM 115 SG CYS A 8 14.033 2.964 17.375 1.00 0.24 S ATOM 0 H CYS A 8 13.560 2.554 14.030 1.00 0.33 H new ATOM 0 HA CYS A 8 15.492 4.762 14.652 1.00 0.23 H new ATOM 0 HB2 CYS A 8 14.186 5.200 16.478 1.00 0.24 H new ATOM 0 HB3 CYS A 8 12.951 4.267 15.655 1.00 0.24 H new ATOM 120 N ALA A 9 15.982 1.661 14.931 1.00 0.20 N ATOM 121 CA ALA A 9 16.932 0.615 15.407 1.00 0.33 C ATOM 122 C ALA A 9 18.339 0.939 14.918 1.00 0.50 C ATOM 123 O ALA A 9 19.194 1.364 15.671 1.00 0.60 O ATOM 124 CB ALA A 9 16.523 -0.746 14.839 1.00 0.27 C ATOM 0 H ALA A 9 15.381 1.380 14.156 1.00 0.20 H new ATOM 0 HA ALA A 9 16.912 0.588 16.496 1.00 0.33 H new ATOM 0 HB1 ALA A 9 17.218 -1.510 15.188 1.00 0.27 H new ATOM 0 HB2 ALA A 9 15.515 -0.992 15.174 1.00 0.27 H new ATOM 0 HB3 ALA A 9 16.544 -0.707 13.750 1.00 0.27 H new ATOM 130 N ASN A 10 18.583 0.721 13.658 1.00 0.59 N ATOM 131 CA ASN A 10 19.932 0.989 13.098 1.00 0.76 C ATOM 132 C ASN A 10 19.929 0.607 11.618 1.00 0.80 C ATOM 133 O ASN A 10 20.721 -0.201 11.174 1.00 0.87 O ATOM 134 CB ASN A 10 20.951 0.136 13.850 1.00 0.82 C ATOM 135 CG ASN A 10 21.624 0.979 14.934 1.00 1.22 C ATOM 136 OD1 ASN A 10 21.458 2.183 14.974 1.00 0.54 O ATOM 137 ND2 ASN A 10 22.378 0.396 15.823 1.00 2.42 N ATOM 0 H ASN A 10 17.900 0.366 12.988 1.00 0.59 H new ATOM 0 HA ASN A 10 20.191 2.043 13.203 1.00 0.76 H new ATOM 0 HB2 ASN A 10 20.458 -0.726 14.299 1.00 0.82 H new ATOM 0 HB3 ASN A 10 21.699 -0.250 13.158 1.00 0.82 H new ATOM 0 HD21 ASN A 10 22.828 0.950 16.552 1.00 2.42 H new ATOM 0 HD22 ASN A 10 22.518 -0.614 15.790 1.00 2.42 H new ATOM 144 N ASN A 11 19.029 1.166 10.855 1.00 0.78 N ATOM 145 CA ASN A 11 18.965 0.815 9.411 1.00 0.85 C ATOM 146 C ASN A 11 18.571 -0.657 9.288 1.00 0.83 C ATOM 147 O ASN A 11 19.131 -1.400 8.505 1.00 1.42 O ATOM 148 CB ASN A 11 20.338 1.035 8.771 1.00 0.98 C ATOM 149 CG ASN A 11 20.183 1.857 7.491 1.00 1.32 C ATOM 150 OD1 ASN A 11 19.868 3.028 7.541 1.00 3.15 O ATOM 151 ND2 ASN A 11 20.394 1.287 6.336 1.00 1.84 N ATOM 0 H ASN A 11 18.339 1.848 11.169 1.00 0.78 H new ATOM 0 HA ASN A 11 18.232 1.442 8.903 1.00 0.85 H new ATOM 0 HB2 ASN A 11 20.997 1.551 9.469 1.00 0.98 H new ATOM 0 HB3 ASN A 11 20.803 0.075 8.545 1.00 0.98 H new ATOM 0 HD21 ASN A 11 20.294 1.826 5.476 1.00 1.84 H new ATOM 0 HD22 ASN A 11 20.659 0.303 6.294 1.00 1.84 H new ATOM 158 N GLU A 12 17.619 -1.089 10.073 1.00 0.22 N ATOM 159 CA GLU A 12 17.200 -2.518 10.023 1.00 0.17 C ATOM 160 C GLU A 12 15.935 -2.677 9.170 1.00 0.20 C ATOM 161 O GLU A 12 15.945 -3.346 8.159 1.00 0.21 O ATOM 162 CB GLU A 12 16.919 -3.009 11.444 1.00 0.15 C ATOM 163 CG GLU A 12 18.004 -4.002 11.863 1.00 0.23 C ATOM 164 CD GLU A 12 19.090 -3.267 12.651 1.00 1.16 C ATOM 165 OE1 GLU A 12 18.775 -2.741 13.707 1.00 1.61 O ATOM 166 OE2 GLU A 12 20.216 -3.240 12.184 1.00 1.83 O ATOM 0 H GLU A 12 17.114 -0.513 10.746 1.00 0.22 H new ATOM 0 HA GLU A 12 18.001 -3.107 9.575 1.00 0.17 H new ATOM 0 HB2 GLU A 12 16.897 -2.166 12.134 1.00 0.15 H new ATOM 0 HB3 GLU A 12 15.939 -3.484 11.489 1.00 0.15 H new ATOM 0 HG2 GLU A 12 17.571 -4.795 12.473 1.00 0.23 H new ATOM 0 HG3 GLU A 12 18.437 -4.477 10.983 1.00 0.23 H new ATOM 173 N ILE A 13 14.841 -2.087 9.575 1.00 0.23 N ATOM 174 CA ILE A 13 13.584 -2.236 8.780 1.00 0.25 C ATOM 175 C ILE A 13 13.780 -1.687 7.361 1.00 0.27 C ATOM 176 O ILE A 13 14.213 -0.567 7.170 1.00 0.31 O ATOM 177 CB ILE A 13 12.447 -1.472 9.467 1.00 0.28 C ATOM 178 CG1 ILE A 13 12.273 -2.011 10.895 1.00 0.18 C ATOM 179 CG2 ILE A 13 11.149 -1.645 8.671 1.00 0.40 C ATOM 180 CD1 ILE A 13 10.790 -2.047 11.269 1.00 0.60 C ATOM 0 H ILE A 13 14.762 -1.513 10.414 1.00 0.23 H new ATOM 0 HA ILE A 13 13.333 -3.295 8.719 1.00 0.25 H new ATOM 0 HB ILE A 13 12.688 -0.410 9.509 1.00 0.28 H new ATOM 0 HG12 ILE A 13 12.698 -3.012 10.968 1.00 0.18 H new ATOM 0 HG13 ILE A 13 12.818 -1.381 11.598 1.00 0.18 H new ATOM 0 HG21 ILE A 13 10.344 -1.100 9.164 1.00 0.40 H new ATOM 0 HG22 ILE A 13 11.286 -1.256 7.662 1.00 0.40 H new ATOM 0 HG23 ILE A 13 10.892 -2.703 8.620 1.00 0.40 H new ATOM 0 HD11 ILE A 13 10.680 -2.431 12.283 1.00 0.60 H new ATOM 0 HD12 ILE A 13 10.377 -1.040 11.215 1.00 0.60 H new ATOM 0 HD13 ILE A 13 10.255 -2.696 10.575 1.00 0.60 H new ATOM 192 N LYS A 14 13.456 -2.469 6.365 1.00 0.27 N ATOM 193 CA LYS A 14 13.611 -2.004 4.959 1.00 0.30 C ATOM 194 C LYS A 14 12.406 -1.148 4.573 1.00 0.42 C ATOM 195 O LYS A 14 12.440 -0.438 3.592 1.00 0.47 O ATOM 196 CB LYS A 14 13.678 -3.214 4.024 1.00 0.35 C ATOM 197 CG LYS A 14 14.924 -4.040 4.343 1.00 0.41 C ATOM 198 CD LYS A 14 16.172 -3.232 3.989 1.00 0.74 C ATOM 199 CE LYS A 14 16.897 -2.823 5.272 1.00 0.77 C ATOM 200 NZ LYS A 14 18.185 -3.567 5.377 1.00 0.50 N ATOM 0 H LYS A 14 13.089 -3.415 6.468 1.00 0.27 H new ATOM 0 HA LYS A 14 14.527 -1.419 4.872 1.00 0.30 H new ATOM 0 HB2 LYS A 14 12.784 -3.826 4.141 1.00 0.35 H new ATOM 0 HB3 LYS A 14 13.705 -2.883 2.986 1.00 0.35 H new ATOM 0 HG2 LYS A 14 14.937 -4.306 5.400 1.00 0.41 H new ATOM 0 HG3 LYS A 14 14.909 -4.973 3.780 1.00 0.41 H new ATOM 0 HD2 LYS A 14 16.834 -3.824 3.358 1.00 0.74 H new ATOM 0 HD3 LYS A 14 15.895 -2.346 3.418 1.00 0.74 H new ATOM 0 HE2 LYS A 14 17.085 -1.749 5.269 1.00 0.77 H new ATOM 0 HE3 LYS A 14 16.271 -3.035 6.139 1.00 0.77 H new ATOM 0 HZ1 LYS A 14 18.677 -3.288 6.250 1.00 0.50 H new ATOM 0 HZ2 LYS A 14 17.995 -4.589 5.398 1.00 0.50 H new ATOM 0 HZ3 LYS A 14 18.783 -3.343 4.556 1.00 0.50 H new ATOM 214 N LYS A 15 11.346 -1.217 5.342 1.00 0.46 N ATOM 215 CA LYS A 15 10.117 -0.425 5.046 1.00 0.59 C ATOM 216 C LYS A 15 8.933 -1.116 5.717 1.00 0.49 C ATOM 217 O LYS A 15 8.841 -2.326 5.748 1.00 0.54 O ATOM 218 CB LYS A 15 9.845 -0.359 3.539 1.00 0.75 C ATOM 219 CG LYS A 15 9.679 -1.778 2.998 1.00 1.31 C ATOM 220 CD LYS A 15 9.576 -1.742 1.472 1.00 1.37 C ATOM 221 CE LYS A 15 10.558 -2.749 0.870 1.00 1.61 C ATOM 222 NZ LYS A 15 11.888 -2.100 0.686 1.00 2.86 N ATOM 0 H LYS A 15 11.283 -1.800 6.176 1.00 0.46 H new ATOM 0 HA LYS A 15 10.257 0.590 5.418 1.00 0.59 H new ATOM 0 HB2 LYS A 15 8.945 0.225 3.345 1.00 0.75 H new ATOM 0 HB3 LYS A 15 10.668 0.144 3.030 1.00 0.75 H new ATOM 0 HG2 LYS A 15 10.526 -2.394 3.300 1.00 1.31 H new ATOM 0 HG3 LYS A 15 8.785 -2.236 3.421 1.00 1.31 H new ATOM 0 HD2 LYS A 15 8.559 -1.979 1.160 1.00 1.37 H new ATOM 0 HD3 LYS A 15 9.797 -0.739 1.106 1.00 1.37 H new ATOM 0 HE2 LYS A 15 10.652 -3.616 1.524 1.00 1.61 H new ATOM 0 HE3 LYS A 15 10.183 -3.111 -0.087 1.00 1.61 H new ATOM 0 HZ1 LYS A 15 12.613 -2.831 0.539 1.00 2.86 H new ATOM 0 HZ2 LYS A 15 11.856 -1.472 -0.143 1.00 2.86 H new ATOM 0 HZ3 LYS A 15 12.123 -1.544 1.533 1.00 2.86 H new ATOM 236 N VAL A 16 8.032 -0.356 6.248 1.00 0.39 N ATOM 237 CA VAL A 16 6.844 -0.950 6.920 1.00 0.31 C ATOM 238 C VAL A 16 5.576 -0.425 6.240 1.00 0.28 C ATOM 239 O VAL A 16 5.388 0.767 6.099 1.00 0.35 O ATOM 240 CB VAL A 16 6.859 -0.543 8.393 1.00 0.34 C ATOM 241 CG1 VAL A 16 5.621 0.304 8.705 1.00 0.34 C ATOM 242 CG2 VAL A 16 6.858 -1.792 9.277 1.00 0.30 C ATOM 0 H VAL A 16 8.062 0.664 6.249 1.00 0.39 H new ATOM 0 HA VAL A 16 6.866 -2.037 6.846 1.00 0.31 H new ATOM 0 HB VAL A 16 7.758 0.039 8.594 1.00 0.34 H new ATOM 0 HG11 VAL A 16 5.633 0.593 9.756 1.00 0.34 H new ATOM 0 HG12 VAL A 16 5.626 1.199 8.082 1.00 0.34 H new ATOM 0 HG13 VAL A 16 4.722 -0.276 8.499 1.00 0.34 H new ATOM 0 HG21 VAL A 16 6.869 -1.495 10.326 1.00 0.30 H new ATOM 0 HG22 VAL A 16 5.963 -2.380 9.075 1.00 0.30 H new ATOM 0 HG23 VAL A 16 7.742 -2.392 9.060 1.00 0.30 H new ATOM 252 N MET A 17 4.709 -1.299 5.804 1.00 0.20 N ATOM 253 CA MET A 17 3.467 -0.830 5.120 1.00 0.19 C ATOM 254 C MET A 17 2.240 -1.143 5.979 1.00 0.26 C ATOM 255 O MET A 17 2.252 -2.040 6.798 1.00 0.38 O ATOM 256 CB MET A 17 3.324 -1.540 3.769 1.00 0.34 C ATOM 257 CG MET A 17 4.707 -1.823 3.173 1.00 0.69 C ATOM 258 SD MET A 17 4.998 -3.610 3.150 1.00 1.21 S ATOM 259 CE MET A 17 6.805 -3.551 3.229 1.00 0.86 C ATOM 0 H MET A 17 4.805 -2.311 5.890 1.00 0.20 H new ATOM 0 HA MET A 17 3.537 0.247 4.969 1.00 0.19 H new ATOM 0 HB2 MET A 17 2.777 -2.474 3.896 1.00 0.34 H new ATOM 0 HB3 MET A 17 2.744 -0.921 3.084 1.00 0.34 H new ATOM 0 HG2 MET A 17 4.769 -1.420 2.162 1.00 0.69 H new ATOM 0 HG3 MET A 17 5.478 -1.325 3.762 1.00 0.69 H new ATOM 0 HE1 MET A 17 7.218 -4.461 2.794 1.00 0.86 H new ATOM 0 HE2 MET A 17 7.166 -2.686 2.672 1.00 0.86 H new ATOM 0 HE3 MET A 17 7.121 -3.470 4.269 1.00 0.86 H new ATOM 269 N VAL A 18 1.173 -0.417 5.784 1.00 0.21 N ATOM 270 CA VAL A 18 -0.067 -0.675 6.567 1.00 0.31 C ATOM 271 C VAL A 18 -1.257 -0.697 5.608 1.00 0.38 C ATOM 272 O VAL A 18 -1.307 0.049 4.651 1.00 0.43 O ATOM 273 CB VAL A 18 -0.277 0.430 7.604 1.00 0.33 C ATOM 274 CG1 VAL A 18 -1.774 0.569 7.895 1.00 0.80 C ATOM 275 CG2 VAL A 18 0.458 0.065 8.895 1.00 0.74 C ATOM 0 H VAL A 18 1.108 0.348 5.112 1.00 0.21 H new ATOM 0 HA VAL A 18 0.023 -1.631 7.083 1.00 0.31 H new ATOM 0 HB VAL A 18 0.113 1.372 7.218 1.00 0.33 H new ATOM 0 HG11 VAL A 18 -1.930 1.355 8.634 1.00 0.80 H new ATOM 0 HG12 VAL A 18 -2.301 0.825 6.976 1.00 0.80 H new ATOM 0 HG13 VAL A 18 -2.158 -0.374 8.283 1.00 0.80 H new ATOM 0 HG21 VAL A 18 0.308 0.852 9.634 1.00 0.74 H new ATOM 0 HG22 VAL A 18 0.067 -0.876 9.283 1.00 0.74 H new ATOM 0 HG23 VAL A 18 1.523 -0.042 8.689 1.00 0.74 H new ATOM 285 N ASP A 19 -2.213 -1.547 5.849 1.00 0.37 N ATOM 286 CA ASP A 19 -3.391 -1.611 4.940 1.00 0.44 C ATOM 287 C ASP A 19 -4.417 -0.552 5.352 1.00 0.49 C ATOM 288 O ASP A 19 -5.175 -0.737 6.284 1.00 0.92 O ATOM 289 CB ASP A 19 -4.025 -3.000 5.030 1.00 0.52 C ATOM 290 CG ASP A 19 -5.509 -2.904 4.678 1.00 1.75 C ATOM 291 OD1 ASP A 19 -5.808 -2.699 3.514 1.00 1.45 O ATOM 292 OD2 ASP A 19 -6.321 -3.036 5.579 1.00 3.18 O ATOM 0 H ASP A 19 -2.231 -2.199 6.633 1.00 0.37 H new ATOM 0 HA ASP A 19 -3.070 -1.422 3.916 1.00 0.44 H new ATOM 0 HB2 ASP A 19 -3.522 -3.686 4.349 1.00 0.52 H new ATOM 0 HB3 ASP A 19 -3.904 -3.403 6.036 1.00 0.52 H new ATOM 297 N GLY A 20 -4.453 0.557 4.659 1.00 0.33 N ATOM 298 CA GLY A 20 -5.435 1.626 5.007 1.00 0.36 C ATOM 299 C GLY A 20 -4.825 3.000 4.725 1.00 0.35 C ATOM 300 O GLY A 20 -5.372 3.796 3.987 1.00 0.39 O ATOM 0 H GLY A 20 -3.845 0.768 3.868 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -6.348 1.497 4.426 1.00 0.36 H new ATOM 0 HA3 GLY A 20 -5.712 1.550 6.058 1.00 0.36 H new ATOM 304 N CYS A 21 -3.694 3.284 5.308 1.00 0.49 N ATOM 305 CA CYS A 21 -3.046 4.604 5.076 1.00 0.61 C ATOM 306 C CYS A 21 -2.754 4.767 3.581 1.00 0.83 C ATOM 307 O CYS A 21 -3.237 4.012 2.761 1.00 1.47 O ATOM 308 CB CYS A 21 -1.736 4.665 5.860 1.00 1.15 C ATOM 309 SG CYS A 21 -2.067 4.397 7.617 1.00 2.29 S ATOM 0 H CYS A 21 -3.190 2.658 5.936 1.00 0.49 H new ATOM 0 HA CYS A 21 -3.708 5.404 5.408 1.00 0.61 H new ATOM 0 HB2 CYS A 21 -1.044 3.908 5.491 1.00 1.15 H new ATOM 0 HB3 CYS A 21 -1.258 5.633 5.713 1.00 1.15 H new ATOM 314 N HIS A 22 -1.970 5.746 3.218 1.00 0.76 N ATOM 315 CA HIS A 22 -1.658 5.944 1.774 1.00 1.00 C ATOM 316 C HIS A 22 -0.213 6.428 1.616 1.00 1.47 C ATOM 317 O HIS A 22 0.175 6.912 0.571 1.00 1.87 O ATOM 318 CB HIS A 22 -2.609 6.986 1.185 1.00 0.98 C ATOM 319 CG HIS A 22 -4.025 6.493 1.303 1.00 0.77 C ATOM 320 ND1 HIS A 22 -4.895 6.972 2.269 1.00 1.85 N ATOM 321 CD2 HIS A 22 -4.736 5.563 0.586 1.00 1.18 C ATOM 322 CE1 HIS A 22 -6.069 6.334 2.109 1.00 1.98 C ATOM 323 NE2 HIS A 22 -6.027 5.464 1.097 1.00 0.88 N ATOM 0 H HIS A 22 -1.535 6.413 3.855 1.00 0.76 H new ATOM 0 HA HIS A 22 -1.780 4.997 1.248 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -2.497 7.934 1.710 1.00 0.98 H new ATOM 0 HB3 HIS A 22 -2.362 7.170 0.139 1.00 0.98 H new ATOM 0 HD2 HIS A 22 -4.352 4.994 -0.248 1.00 1.18 H new ATOM 0 HE1 HIS A 22 -6.940 6.505 2.725 1.00 1.98 H new ATOM 0 HE2 HIS A 22 -6.779 4.858 0.769 1.00 0.88 H new ATOM 331 N GLY A 23 0.586 6.301 2.639 1.00 1.69 N ATOM 332 CA GLY A 23 2.003 6.754 2.532 1.00 2.17 C ATOM 333 C GLY A 23 2.069 8.280 2.653 1.00 2.26 C ATOM 334 O GLY A 23 1.186 8.987 2.212 1.00 3.70 O ATOM 0 H GLY A 23 0.322 5.905 3.541 1.00 1.69 H new ATOM 0 HA2 GLY A 23 2.603 6.291 3.316 1.00 2.17 H new ATOM 0 HA3 GLY A 23 2.425 6.437 1.578 1.00 2.17 H new ATOM 338 N SER A 24 3.121 8.786 3.247 1.00 1.05 N ATOM 339 CA SER A 24 3.272 10.264 3.409 1.00 1.04 C ATOM 340 C SER A 24 1.919 10.905 3.723 1.00 1.18 C ATOM 341 O SER A 24 1.548 11.908 3.144 1.00 2.40 O ATOM 342 CB SER A 24 3.833 10.871 2.123 1.00 1.19 C ATOM 343 OG SER A 24 4.707 9.937 1.504 1.00 3.69 O ATOM 0 H SER A 24 3.888 8.233 3.630 1.00 1.05 H new ATOM 0 HA SER A 24 3.958 10.456 4.234 1.00 1.04 H new ATOM 0 HB2 SER A 24 3.020 11.130 1.445 1.00 1.19 H new ATOM 0 HB3 SER A 24 4.368 11.794 2.346 1.00 1.19 H new ATOM 0 HG SER A 24 5.067 10.323 0.678 1.00 3.69 H new ATOM 349 N ASP A 25 1.180 10.341 4.639 1.00 1.13 N ATOM 350 CA ASP A 25 -0.145 10.927 4.990 1.00 1.03 C ATOM 351 C ASP A 25 -0.535 10.487 6.403 1.00 0.84 C ATOM 352 O ASP A 25 0.112 9.644 6.991 1.00 0.80 O ATOM 353 CB ASP A 25 -1.200 10.444 3.990 1.00 1.07 C ATOM 354 CG ASP A 25 -1.749 11.640 3.204 1.00 1.20 C ATOM 355 OD1 ASP A 25 -1.471 12.761 3.597 1.00 1.03 O ATOM 356 OD2 ASP A 25 -2.436 11.413 2.223 1.00 1.68 O ATOM 0 H ASP A 25 1.436 9.501 5.159 1.00 1.13 H new ATOM 0 HA ASP A 25 -0.085 12.015 4.952 1.00 1.03 H new ATOM 0 HB2 ASP A 25 -0.762 9.717 3.306 1.00 1.07 H new ATOM 0 HB3 ASP A 25 -2.010 9.939 4.516 1.00 1.07 H new ATOM 361 N PRO A 26 -1.585 11.079 6.903 1.00 0.76 N ATOM 362 CA PRO A 26 -2.099 10.783 8.251 1.00 0.60 C ATOM 363 C PRO A 26 -2.885 9.469 8.263 1.00 0.49 C ATOM 364 O PRO A 26 -3.514 9.095 7.293 1.00 0.45 O ATOM 365 CB PRO A 26 -3.010 11.973 8.556 1.00 0.62 C ATOM 366 CG PRO A 26 -3.409 12.579 7.188 1.00 0.78 C ATOM 367 CD PRO A 26 -2.356 12.101 6.169 1.00 0.88 C ATOM 0 HA PRO A 26 -1.307 10.657 8.989 1.00 0.60 H new ATOM 0 HB2 PRO A 26 -3.892 11.655 9.112 1.00 0.62 H new ATOM 0 HB3 PRO A 26 -2.494 12.710 9.172 1.00 0.62 H new ATOM 0 HG2 PRO A 26 -4.407 12.252 6.896 1.00 0.78 H new ATOM 0 HG3 PRO A 26 -3.432 13.668 7.239 1.00 0.78 H new ATOM 0 HD2 PRO A 26 -2.824 11.684 5.278 1.00 0.88 H new ATOM 0 HD3 PRO A 26 -1.718 12.921 5.840 1.00 0.88 H new ATOM 375 N CYS A 27 -2.847 8.765 9.361 1.00 0.49 N ATOM 376 CA CYS A 27 -3.582 7.472 9.452 1.00 0.47 C ATOM 377 C CYS A 27 -4.664 7.581 10.530 1.00 0.46 C ATOM 378 O CYS A 27 -4.418 8.056 11.618 1.00 0.46 O ATOM 379 CB CYS A 27 -2.599 6.365 9.841 1.00 0.54 C ATOM 380 SG CYS A 27 -1.426 6.099 8.493 1.00 0.83 S ATOM 0 H CYS A 27 -2.336 9.031 10.203 1.00 0.49 H new ATOM 0 HA CYS A 27 -4.041 7.241 8.491 1.00 0.47 H new ATOM 0 HB2 CYS A 27 -2.067 6.640 10.751 1.00 0.54 H new ATOM 0 HB3 CYS A 27 -3.139 5.443 10.054 1.00 0.54 H new ATOM 385 N ILE A 28 -5.857 7.132 10.252 1.00 0.46 N ATOM 386 CA ILE A 28 -6.928 7.204 11.283 1.00 0.46 C ATOM 387 C ILE A 28 -7.084 5.828 11.915 1.00 0.38 C ATOM 388 O ILE A 28 -7.643 4.923 11.328 1.00 0.41 O ATOM 389 CB ILE A 28 -8.256 7.622 10.653 1.00 0.52 C ATOM 390 CG1 ILE A 28 -8.125 9.032 10.071 1.00 0.61 C ATOM 391 CG2 ILE A 28 -9.342 7.620 11.734 1.00 0.49 C ATOM 392 CD1 ILE A 28 -7.650 9.988 11.166 1.00 0.61 C ATOM 0 H ILE A 28 -6.135 6.721 9.361 1.00 0.46 H new ATOM 0 HA ILE A 28 -6.653 7.944 12.035 1.00 0.46 H new ATOM 0 HB ILE A 28 -8.521 6.925 9.858 1.00 0.52 H new ATOM 0 HG12 ILE A 28 -7.418 9.031 9.241 1.00 0.61 H new ATOM 0 HG13 ILE A 28 -9.084 9.364 9.673 1.00 0.61 H new ATOM 0 HG21 ILE A 28 -10.294 7.917 11.294 1.00 0.49 H new ATOM 0 HG22 ILE A 28 -9.434 6.619 12.156 1.00 0.49 H new ATOM 0 HG23 ILE A 28 -9.072 8.322 12.522 1.00 0.49 H new ATOM 0 HD11 ILE A 28 -7.555 10.993 10.755 1.00 0.61 H new ATOM 0 HD12 ILE A 28 -8.373 9.996 11.981 1.00 0.61 H new ATOM 0 HD13 ILE A 28 -6.682 9.657 11.543 1.00 0.61 H new ATOM 404 N ILE A 29 -6.585 5.658 13.103 1.00 0.30 N ATOM 405 CA ILE A 29 -6.700 4.336 13.762 1.00 0.22 C ATOM 406 C ILE A 29 -8.009 4.268 14.539 1.00 0.28 C ATOM 407 O ILE A 29 -8.241 5.032 15.455 1.00 0.33 O ATOM 408 CB ILE A 29 -5.525 4.141 14.719 1.00 0.12 C ATOM 409 CG1 ILE A 29 -4.275 3.770 13.918 1.00 0.21 C ATOM 410 CG2 ILE A 29 -5.851 3.017 15.706 1.00 0.17 C ATOM 411 CD1 ILE A 29 -3.093 4.625 14.379 1.00 0.34 C ATOM 0 H ILE A 29 -6.104 6.376 13.644 1.00 0.30 H new ATOM 0 HA ILE A 29 -6.686 3.550 13.007 1.00 0.22 H new ATOM 0 HB ILE A 29 -5.345 5.065 15.269 1.00 0.12 H new ATOM 0 HG12 ILE A 29 -4.046 2.713 14.053 1.00 0.21 H new ATOM 0 HG13 ILE A 29 -4.454 3.924 12.854 1.00 0.21 H new ATOM 0 HG21 ILE A 29 -5.013 2.878 16.389 1.00 0.17 H new ATOM 0 HG22 ILE A 29 -6.743 3.280 16.275 1.00 0.17 H new ATOM 0 HG23 ILE A 29 -6.030 2.092 15.158 1.00 0.17 H new ATOM 0 HD11 ILE A 29 -2.205 4.358 13.806 1.00 0.34 H new ATOM 0 HD12 ILE A 29 -3.323 5.679 14.221 1.00 0.34 H new ATOM 0 HD13 ILE A 29 -2.908 4.449 15.439 1.00 0.34 H new ATOM 423 N HIS A 30 -8.862 3.349 14.188 1.00 0.31 N ATOM 424 CA HIS A 30 -10.151 3.216 14.914 1.00 0.36 C ATOM 425 C HIS A 30 -9.979 2.143 15.992 1.00 0.41 C ATOM 426 O HIS A 30 -9.903 0.968 15.696 1.00 0.47 O ATOM 427 CB HIS A 30 -11.252 2.789 13.940 1.00 0.39 C ATOM 428 CG HIS A 30 -11.236 3.678 12.726 1.00 0.37 C ATOM 429 ND1 HIS A 30 -11.815 4.937 12.724 1.00 0.63 N ATOM 430 CD2 HIS A 30 -10.724 3.499 11.464 1.00 0.89 C ATOM 431 CE1 HIS A 30 -11.639 5.463 11.498 1.00 0.46 C ATOM 432 NE2 HIS A 30 -10.979 4.628 10.691 1.00 0.58 N ATOM 0 H HIS A 30 -8.721 2.683 13.428 1.00 0.31 H new ATOM 0 HA HIS A 30 -10.430 4.169 15.364 1.00 0.36 H new ATOM 0 HB2 HIS A 30 -11.104 1.751 13.643 1.00 0.39 H new ATOM 0 HB3 HIS A 30 -12.224 2.845 14.430 1.00 0.39 H new ATOM 0 HD2 HIS A 30 -10.203 2.616 11.123 1.00 0.89 H new ATOM 0 HE1 HIS A 30 -11.989 6.441 11.203 1.00 0.46 H new ATOM 0 HE2 HIS A 30 -10.718 4.784 9.717 1.00 0.58 H new ATOM 440 N ARG A 31 -9.897 2.529 17.236 1.00 0.43 N ATOM 441 CA ARG A 31 -9.707 1.509 18.307 1.00 0.51 C ATOM 442 C ARG A 31 -10.763 0.413 18.178 1.00 0.49 C ATOM 443 O ARG A 31 -11.835 0.626 17.646 1.00 0.65 O ATOM 444 CB ARG A 31 -9.821 2.162 19.678 1.00 0.53 C ATOM 445 CG ARG A 31 -11.079 3.018 19.741 1.00 0.43 C ATOM 446 CD ARG A 31 -10.850 4.121 20.762 1.00 0.49 C ATOM 447 NE ARG A 31 -12.155 4.574 21.314 1.00 0.40 N ATOM 448 CZ ARG A 31 -12.255 5.750 21.872 1.00 1.05 C ATOM 449 NH1 ARG A 31 -11.707 6.791 21.306 1.00 1.79 N ATOM 450 NH2 ARG A 31 -12.903 5.884 22.996 1.00 1.60 N ATOM 0 H ARG A 31 -9.953 3.496 17.555 1.00 0.43 H new ATOM 0 HA ARG A 31 -8.715 1.070 18.199 1.00 0.51 H new ATOM 0 HB2 ARG A 31 -9.852 1.397 20.454 1.00 0.53 H new ATOM 0 HB3 ARG A 31 -8.942 2.777 19.872 1.00 0.53 H new ATOM 0 HG2 ARG A 31 -11.298 3.445 18.762 1.00 0.43 H new ATOM 0 HG3 ARG A 31 -11.939 2.411 20.023 1.00 0.43 H new ATOM 0 HD2 ARG A 31 -10.211 3.758 21.567 1.00 0.49 H new ATOM 0 HD3 ARG A 31 -10.331 4.959 20.296 1.00 0.49 H new ATOM 0 HE ARG A 31 -12.972 3.966 21.257 1.00 0.40 H new ATOM 0 HH11 ARG A 31 -11.200 6.686 20.427 1.00 1.79 H new ATOM 0 HH12 ARG A 31 -11.786 7.709 21.743 1.00 1.79 H new ATOM 0 HH21 ARG A 31 -13.331 5.070 23.438 1.00 1.60 H new ATOM 0 HH22 ARG A 31 -12.982 6.802 23.433 1.00 1.60 H new ATOM 464 N GLY A 32 -10.466 -0.761 18.663 1.00 0.40 N ATOM 465 CA GLY A 32 -11.448 -1.876 18.574 1.00 0.40 C ATOM 466 C GLY A 32 -11.297 -2.580 17.222 1.00 0.40 C ATOM 467 O GLY A 32 -11.855 -3.636 16.997 1.00 0.45 O ATOM 0 H GLY A 32 -9.584 -0.996 19.118 1.00 0.40 H new ATOM 0 HA2 GLY A 32 -11.285 -2.585 19.386 1.00 0.40 H new ATOM 0 HA3 GLY A 32 -12.462 -1.492 18.685 1.00 0.40 H new ATOM 471 N LYS A 33 -10.546 -2.004 16.321 1.00 0.37 N ATOM 472 CA LYS A 33 -10.361 -2.641 14.985 1.00 0.36 C ATOM 473 C LYS A 33 -8.937 -3.185 14.870 1.00 0.35 C ATOM 474 O LYS A 33 -8.034 -2.707 15.530 1.00 0.40 O ATOM 475 CB LYS A 33 -10.599 -1.609 13.882 1.00 0.35 C ATOM 476 CG LYS A 33 -9.346 -1.498 13.009 1.00 0.81 C ATOM 477 CD LYS A 33 -9.571 -0.447 11.920 1.00 1.27 C ATOM 478 CE LYS A 33 -11.063 -0.365 11.591 1.00 1.00 C ATOM 479 NZ LYS A 33 -11.254 0.381 10.316 1.00 1.24 N ATOM 0 H LYS A 33 -10.053 -1.121 16.453 1.00 0.37 H new ATOM 0 HA LYS A 33 -11.075 -3.458 14.876 1.00 0.36 H new ATOM 0 HB2 LYS A 33 -11.455 -1.902 13.273 1.00 0.35 H new ATOM 0 HB3 LYS A 33 -10.837 -0.640 14.321 1.00 0.35 H new ATOM 0 HG2 LYS A 33 -8.487 -1.224 13.621 1.00 0.81 H new ATOM 0 HG3 LYS A 33 -9.119 -2.463 12.556 1.00 0.81 H new ATOM 0 HD2 LYS A 33 -9.208 0.524 12.256 1.00 1.27 H new ATOM 0 HD3 LYS A 33 -9.004 -0.707 11.026 1.00 1.27 H new ATOM 0 HE2 LYS A 33 -11.482 -1.367 11.504 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -11.597 0.134 12.400 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -12.052 1.041 10.416 1.00 1.24 H new ATOM 0 HZ2 LYS A 33 -10.390 0.914 10.093 1.00 1.24 H new ATOM 0 HZ3 LYS A 33 -11.454 -0.291 9.548 1.00 1.24 H new ATOM 493 N PRO A 34 -8.784 -4.175 14.033 1.00 0.31 N ATOM 494 CA PRO A 34 -7.489 -4.824 13.797 1.00 0.29 C ATOM 495 C PRO A 34 -6.629 -3.994 12.842 1.00 0.21 C ATOM 496 O PRO A 34 -6.944 -3.834 11.679 1.00 0.10 O ATOM 497 CB PRO A 34 -7.870 -6.168 13.170 1.00 0.30 C ATOM 498 CG PRO A 34 -9.289 -5.985 12.572 1.00 0.30 C ATOM 499 CD PRO A 34 -9.898 -4.740 13.246 1.00 0.30 C ATOM 0 HA PRO A 34 -6.897 -4.935 14.705 1.00 0.29 H new ATOM 0 HB2 PRO A 34 -7.156 -6.452 12.397 1.00 0.30 H new ATOM 0 HB3 PRO A 34 -7.863 -6.961 13.917 1.00 0.30 H new ATOM 0 HG2 PRO A 34 -9.239 -5.854 11.491 1.00 0.30 H new ATOM 0 HG3 PRO A 34 -9.904 -6.866 12.759 1.00 0.30 H new ATOM 0 HD2 PRO A 34 -10.266 -4.027 12.508 1.00 0.30 H new ATOM 0 HD3 PRO A 34 -10.742 -5.004 13.883 1.00 0.30 H new ATOM 507 N PHE A 35 -5.535 -3.480 13.329 1.00 0.27 N ATOM 508 CA PHE A 35 -4.629 -2.675 12.466 1.00 0.25 C ATOM 509 C PHE A 35 -3.526 -3.603 11.965 1.00 0.20 C ATOM 510 O PHE A 35 -2.966 -4.359 12.724 1.00 0.50 O ATOM 511 CB PHE A 35 -4.017 -1.544 13.300 1.00 0.41 C ATOM 512 CG PHE A 35 -3.754 -0.341 12.425 1.00 0.47 C ATOM 513 CD1 PHE A 35 -4.817 0.453 11.981 1.00 0.50 C ATOM 514 CD2 PHE A 35 -2.441 -0.021 12.059 1.00 0.53 C ATOM 515 CE1 PHE A 35 -4.567 1.569 11.172 1.00 0.58 C ATOM 516 CE2 PHE A 35 -2.191 1.093 11.250 1.00 0.64 C ATOM 517 CZ PHE A 35 -3.253 1.888 10.805 1.00 0.66 C ATOM 0 H PHE A 35 -5.228 -3.584 14.296 1.00 0.27 H new ATOM 0 HA PHE A 35 -5.171 -2.241 11.626 1.00 0.25 H new ATOM 0 HB2 PHE A 35 -4.692 -1.273 14.112 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -3.087 -1.881 13.758 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -5.830 0.206 12.262 1.00 0.50 H new ATOM 0 HD2 PHE A 35 -1.621 -0.634 12.401 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -5.387 2.183 10.831 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -1.178 1.339 10.969 1.00 0.64 H new ATOM 0 HZ PHE A 35 -3.060 2.747 10.179 1.00 0.66 H new ATOM 527 N THR A 36 -3.220 -3.585 10.698 1.00 0.16 N ATOM 528 CA THR A 36 -2.165 -4.512 10.200 1.00 0.15 C ATOM 529 C THR A 36 -0.941 -3.738 9.728 1.00 0.19 C ATOM 530 O THR A 36 -1.044 -2.700 9.106 1.00 0.36 O ATOM 531 CB THR A 36 -2.704 -5.343 9.036 1.00 0.31 C ATOM 532 OG1 THR A 36 -3.830 -6.091 9.473 1.00 0.42 O ATOM 533 CG2 THR A 36 -1.611 -6.298 8.546 1.00 0.28 C ATOM 0 H THR A 36 -3.646 -2.980 9.996 1.00 0.16 H new ATOM 0 HA THR A 36 -1.878 -5.167 11.023 1.00 0.15 H new ATOM 0 HB THR A 36 -3.002 -4.683 8.221 1.00 0.31 H new ATOM 0 HG1 THR A 36 -4.178 -6.623 8.728 1.00 0.42 H new ATOM 0 HG21 THR A 36 -1.992 -6.892 7.716 1.00 0.28 H new ATOM 0 HG22 THR A 36 -0.747 -5.722 8.214 1.00 0.28 H new ATOM 0 HG23 THR A 36 -1.315 -6.960 9.360 1.00 0.28 H new ATOM 541 N LEU A 37 0.220 -4.255 10.008 1.00 0.08 N ATOM 542 CA LEU A 37 1.463 -3.580 9.564 1.00 0.14 C ATOM 543 C LEU A 37 2.514 -4.641 9.245 1.00 0.14 C ATOM 544 O LEU A 37 2.878 -5.442 10.084 1.00 0.19 O ATOM 545 CB LEU A 37 1.978 -2.668 10.679 1.00 0.20 C ATOM 546 CG LEU A 37 1.921 -3.414 12.013 1.00 0.84 C ATOM 547 CD1 LEU A 37 3.130 -3.035 12.867 1.00 3.47 C ATOM 548 CD2 LEU A 37 0.641 -3.030 12.756 1.00 1.53 C ATOM 0 H LEU A 37 0.360 -5.121 10.528 1.00 0.08 H new ATOM 0 HA LEU A 37 1.261 -2.980 8.677 1.00 0.14 H new ATOM 0 HB2 LEU A 37 3.001 -2.358 10.467 1.00 0.20 H new ATOM 0 HB3 LEU A 37 1.374 -1.762 10.730 1.00 0.20 H new ATOM 0 HG LEU A 37 1.930 -4.488 11.825 1.00 0.84 H new ATOM 0 HD11 LEU A 37 3.086 -3.568 13.817 1.00 3.47 H new ATOM 0 HD12 LEU A 37 4.046 -3.305 12.341 1.00 3.47 H new ATOM 0 HD13 LEU A 37 3.122 -1.961 13.053 1.00 3.47 H new ATOM 0 HD21 LEU A 37 0.599 -3.561 13.707 1.00 1.53 H new ATOM 0 HD22 LEU A 37 0.635 -1.956 12.940 1.00 1.53 H new ATOM 0 HD23 LEU A 37 -0.225 -3.299 12.152 1.00 1.53 H new ATOM 560 N GLU A 38 3.017 -4.643 8.044 1.00 0.11 N ATOM 561 CA GLU A 38 4.058 -5.636 7.675 1.00 0.12 C ATOM 562 C GLU A 38 5.408 -4.933 7.726 1.00 0.15 C ATOM 563 O GLU A 38 5.584 -3.879 7.147 1.00 0.22 O ATOM 564 CB GLU A 38 3.799 -6.155 6.260 1.00 0.15 C ATOM 565 CG GLU A 38 4.214 -7.625 6.171 1.00 0.27 C ATOM 566 CD GLU A 38 3.367 -8.333 5.113 1.00 0.78 C ATOM 567 OE1 GLU A 38 2.536 -7.674 4.510 1.00 2.14 O ATOM 568 OE2 GLU A 38 3.564 -9.521 4.924 1.00 0.46 O ATOM 0 H GLU A 38 2.750 -3.997 7.301 1.00 0.11 H new ATOM 0 HA GLU A 38 4.041 -6.481 8.363 1.00 0.12 H new ATOM 0 HB2 GLU A 38 2.743 -6.048 6.010 1.00 0.15 H new ATOM 0 HB3 GLU A 38 4.360 -5.563 5.536 1.00 0.15 H new ATOM 0 HG2 GLU A 38 5.271 -7.700 5.916 1.00 0.27 H new ATOM 0 HG3 GLU A 38 4.085 -8.109 7.139 1.00 0.27 H new ATOM 575 N ALA A 39 6.362 -5.475 8.426 1.00 0.12 N ATOM 576 CA ALA A 39 7.671 -4.785 8.505 1.00 0.15 C ATOM 577 C ALA A 39 8.793 -5.729 8.104 1.00 0.17 C ATOM 578 O ALA A 39 8.990 -6.769 8.700 1.00 0.14 O ATOM 579 CB ALA A 39 7.901 -4.309 9.937 1.00 0.16 C ATOM 0 H ALA A 39 6.292 -6.354 8.939 1.00 0.12 H new ATOM 0 HA ALA A 39 7.665 -3.934 7.823 1.00 0.15 H new ATOM 0 HB1 ALA A 39 8.863 -3.800 10.001 1.00 0.16 H new ATOM 0 HB2 ALA A 39 7.106 -3.620 10.223 1.00 0.16 H new ATOM 0 HB3 ALA A 39 7.898 -5.166 10.610 1.00 0.16 H new ATOM 585 N LEU A 40 9.556 -5.353 7.121 1.00 0.21 N ATOM 586 CA LEU A 40 10.694 -6.206 6.708 1.00 0.22 C ATOM 587 C LEU A 40 11.893 -5.761 7.533 1.00 0.22 C ATOM 588 O LEU A 40 12.050 -4.593 7.807 1.00 0.23 O ATOM 589 CB LEU A 40 11.000 -5.998 5.225 1.00 0.26 C ATOM 590 CG LEU A 40 9.766 -6.319 4.384 1.00 0.17 C ATOM 591 CD1 LEU A 40 9.907 -5.660 3.009 1.00 0.14 C ATOM 592 CD2 LEU A 40 9.656 -7.833 4.210 1.00 0.28 C ATOM 0 H LEU A 40 9.439 -4.492 6.587 1.00 0.21 H new ATOM 0 HA LEU A 40 10.464 -7.260 6.865 1.00 0.22 H new ATOM 0 HB2 LEU A 40 11.310 -4.968 5.051 1.00 0.26 H new ATOM 0 HB3 LEU A 40 11.831 -6.636 4.924 1.00 0.26 H new ATOM 0 HG LEU A 40 8.873 -5.941 4.882 1.00 0.17 H new ATOM 0 HD11 LEU A 40 9.028 -5.887 2.405 1.00 0.14 H new ATOM 0 HD12 LEU A 40 9.995 -4.580 3.130 1.00 0.14 H new ATOM 0 HD13 LEU A 40 10.798 -6.043 2.511 1.00 0.14 H new ATOM 0 HD21 LEU A 40 8.777 -8.067 3.610 1.00 0.28 H new ATOM 0 HD22 LEU A 40 10.548 -8.207 3.708 1.00 0.28 H new ATOM 0 HD23 LEU A 40 9.565 -8.306 5.188 1.00 0.28 H new ATOM 604 N PHE A 41 12.729 -6.659 7.950 1.00 0.22 N ATOM 605 CA PHE A 41 13.895 -6.228 8.764 1.00 0.23 C ATOM 606 C PHE A 41 14.992 -7.277 8.682 1.00 0.20 C ATOM 607 O PHE A 41 14.738 -8.460 8.752 1.00 0.17 O ATOM 608 CB PHE A 41 13.466 -6.038 10.219 1.00 0.21 C ATOM 609 CG PHE A 41 12.761 -7.274 10.702 1.00 0.16 C ATOM 610 CD1 PHE A 41 11.378 -7.398 10.546 1.00 0.05 C ATOM 611 CD2 PHE A 41 13.495 -8.291 11.314 1.00 0.25 C ATOM 612 CE1 PHE A 41 10.720 -8.545 11.004 1.00 0.05 C ATOM 613 CE2 PHE A 41 12.846 -9.440 11.774 1.00 0.21 C ATOM 614 CZ PHE A 41 11.456 -9.569 11.622 1.00 0.09 C ATOM 0 H PHE A 41 12.661 -7.660 7.768 1.00 0.22 H new ATOM 0 HA PHE A 41 14.275 -5.282 8.377 1.00 0.23 H new ATOM 0 HB2 PHE A 41 14.337 -5.837 10.842 1.00 0.21 H new ATOM 0 HB3 PHE A 41 12.807 -5.174 10.305 1.00 0.21 H new ATOM 0 HD1 PHE A 41 10.816 -6.607 10.071 1.00 0.05 H new ATOM 0 HD2 PHE A 41 14.564 -8.190 11.432 1.00 0.25 H new ATOM 0 HE1 PHE A 41 9.651 -8.642 10.883 1.00 0.05 H new ATOM 0 HE2 PHE A 41 13.413 -10.228 12.246 1.00 0.21 H new ATOM 0 HZ PHE A 41 10.953 -10.455 11.980 1.00 0.09 H new ATOM 624 N ASP A 42 16.213 -6.860 8.543 1.00 0.21 N ATOM 625 CA ASP A 42 17.315 -7.854 8.464 1.00 0.18 C ATOM 626 C ASP A 42 17.739 -8.234 9.875 1.00 0.13 C ATOM 627 O ASP A 42 18.298 -7.444 10.611 1.00 0.13 O ATOM 628 CB ASP A 42 18.509 -7.267 7.706 1.00 0.20 C ATOM 629 CG ASP A 42 18.474 -7.741 6.252 1.00 0.61 C ATOM 630 OD1 ASP A 42 18.267 -8.924 6.040 1.00 1.35 O ATOM 631 OD2 ASP A 42 18.654 -6.912 5.375 1.00 1.53 O ATOM 0 H ASP A 42 16.497 -5.882 8.481 1.00 0.21 H new ATOM 0 HA ASP A 42 16.966 -8.738 7.929 1.00 0.18 H new ATOM 0 HB2 ASP A 42 18.479 -6.178 7.745 1.00 0.20 H new ATOM 0 HB3 ASP A 42 19.441 -7.577 8.178 1.00 0.20 H new ATOM 636 N ALA A 43 17.471 -9.446 10.253 1.00 0.11 N ATOM 637 CA ALA A 43 17.840 -9.909 11.607 1.00 0.08 C ATOM 638 C ALA A 43 19.292 -9.521 11.896 1.00 0.15 C ATOM 639 O ALA A 43 20.211 -10.010 11.271 1.00 0.22 O ATOM 640 CB ALA A 43 17.688 -11.427 11.648 1.00 0.21 C ATOM 0 H ALA A 43 17.006 -10.143 9.672 1.00 0.11 H new ATOM 0 HA ALA A 43 17.197 -9.450 12.358 1.00 0.08 H new ATOM 0 HB1 ALA A 43 17.955 -11.793 12.639 1.00 0.21 H new ATOM 0 HB2 ALA A 43 16.655 -11.695 11.429 1.00 0.21 H new ATOM 0 HB3 ALA A 43 18.345 -11.879 10.905 1.00 0.21 H new ATOM 646 N ASN A 44 19.506 -8.650 12.841 1.00 0.23 N ATOM 647 CA ASN A 44 20.903 -8.241 13.167 1.00 0.38 C ATOM 648 C ASN A 44 21.439 -9.146 14.275 1.00 0.36 C ATOM 649 O ASN A 44 22.454 -8.873 14.884 1.00 0.45 O ATOM 650 CB ASN A 44 20.942 -6.778 13.630 1.00 0.47 C ATOM 651 CG ASN A 44 19.638 -6.412 14.342 1.00 1.14 C ATOM 652 OD1 ASN A 44 18.621 -6.223 13.707 1.00 3.51 O ATOM 653 ND2 ASN A 44 19.627 -6.298 15.641 1.00 0.57 N ATOM 0 H ASN A 44 18.779 -8.204 13.401 1.00 0.23 H new ATOM 0 HA ASN A 44 21.522 -8.337 12.275 1.00 0.38 H new ATOM 0 HB2 ASN A 44 21.787 -6.624 14.302 1.00 0.47 H new ATOM 0 HB3 ASN A 44 21.093 -6.122 12.773 1.00 0.47 H new ATOM 0 HD21 ASN A 44 18.763 -6.050 16.124 1.00 0.57 H new ATOM 0 HD22 ASN A 44 20.482 -6.457 16.174 1.00 0.57 H new ATOM 660 N GLN A 45 20.764 -10.233 14.530 1.00 0.34 N ATOM 661 CA GLN A 45 21.222 -11.177 15.584 1.00 0.51 C ATOM 662 C GLN A 45 20.490 -12.508 15.413 1.00 0.46 C ATOM 663 O GLN A 45 19.308 -12.543 15.135 1.00 0.61 O ATOM 664 CB GLN A 45 20.921 -10.607 16.961 1.00 0.66 C ATOM 665 CG GLN A 45 19.412 -10.550 17.161 1.00 0.67 C ATOM 666 CD GLN A 45 19.026 -9.209 17.787 1.00 0.66 C ATOM 667 OE1 GLN A 45 19.454 -8.166 17.332 1.00 1.09 O ATOM 668 NE2 GLN A 45 18.228 -9.190 18.820 1.00 0.37 N ATOM 0 H GLN A 45 19.908 -10.508 14.048 1.00 0.34 H new ATOM 0 HA GLN A 45 22.297 -11.329 15.491 1.00 0.51 H new ATOM 0 HB2 GLN A 45 21.379 -11.227 17.732 1.00 0.66 H new ATOM 0 HB3 GLN A 45 21.350 -9.610 17.057 1.00 0.66 H new ATOM 0 HG2 GLN A 45 18.904 -10.676 16.205 1.00 0.67 H new ATOM 0 HG3 GLN A 45 19.089 -11.369 17.804 1.00 0.67 H new ATOM 0 HE21 GLN A 45 17.868 -10.064 19.203 1.00 0.37 H new ATOM 0 HE22 GLN A 45 17.964 -8.301 19.244 1.00 0.37 H new ATOM 677 N ASN A 46 21.178 -13.605 15.573 1.00 0.42 N ATOM 678 CA ASN A 46 20.506 -14.926 15.415 1.00 0.49 C ATOM 679 C ASN A 46 19.770 -15.277 16.706 1.00 0.57 C ATOM 680 O ASN A 46 20.348 -15.315 17.775 1.00 0.64 O ATOM 681 CB ASN A 46 21.551 -16.005 15.115 1.00 0.61 C ATOM 682 CG ASN A 46 22.201 -16.464 16.421 1.00 0.94 C ATOM 683 OD1 ASN A 46 23.254 -15.984 16.791 1.00 1.35 O ATOM 684 ND2 ASN A 46 21.614 -17.381 17.140 1.00 3.22 N ATOM 0 H ASN A 46 22.170 -13.644 15.805 1.00 0.42 H new ATOM 0 HA ASN A 46 19.795 -14.874 14.590 1.00 0.49 H new ATOM 0 HB2 ASN A 46 21.082 -16.851 14.613 1.00 0.61 H new ATOM 0 HB3 ASN A 46 22.309 -15.613 14.437 1.00 0.61 H new ATOM 0 HD21 ASN A 46 22.039 -17.695 18.012 1.00 3.22 H new ATOM 0 HD22 ASN A 46 20.730 -17.784 16.830 1.00 3.22 H new ATOM 691 N THR A 47 18.491 -15.524 16.619 1.00 0.57 N ATOM 692 CA THR A 47 17.714 -15.861 17.839 1.00 0.67 C ATOM 693 C THR A 47 16.627 -16.882 17.484 1.00 0.71 C ATOM 694 O THR A 47 16.182 -16.958 16.355 1.00 0.65 O ATOM 695 CB THR A 47 17.073 -14.584 18.379 1.00 0.60 C ATOM 696 OG1 THR A 47 16.171 -14.911 19.422 1.00 0.68 O ATOM 697 CG2 THR A 47 16.323 -13.880 17.249 1.00 0.43 C ATOM 0 H THR A 47 17.953 -15.506 15.753 1.00 0.57 H new ATOM 0 HA THR A 47 18.370 -16.291 18.596 1.00 0.67 H new ATOM 0 HB THR A 47 17.846 -13.922 18.769 1.00 0.60 H new ATOM 0 HG1 THR A 47 15.294 -14.516 19.232 1.00 0.68 H new ATOM 0 HG21 THR A 47 15.864 -12.968 17.630 1.00 0.43 H new ATOM 0 HG22 THR A 47 17.021 -13.629 16.450 1.00 0.43 H new ATOM 0 HG23 THR A 47 15.549 -14.541 16.859 1.00 0.43 H new ATOM 705 N LYS A 48 16.202 -17.672 18.433 1.00 0.87 N ATOM 706 CA LYS A 48 15.151 -18.690 18.141 1.00 0.95 C ATOM 707 C LYS A 48 13.775 -18.085 18.364 1.00 0.93 C ATOM 708 O LYS A 48 12.770 -18.642 17.968 1.00 0.97 O ATOM 709 CB LYS A 48 15.338 -19.892 19.063 1.00 1.13 C ATOM 710 CG LYS A 48 16.527 -20.716 18.574 1.00 1.09 C ATOM 711 CD LYS A 48 16.037 -21.804 17.614 1.00 1.09 C ATOM 712 CE LYS A 48 14.964 -22.652 18.306 1.00 1.11 C ATOM 713 NZ LYS A 48 15.086 -24.074 17.871 1.00 1.40 N ATOM 0 H LYS A 48 16.536 -17.657 19.397 1.00 0.87 H new ATOM 0 HA LYS A 48 15.237 -19.011 17.103 1.00 0.95 H new ATOM 0 HB2 LYS A 48 15.507 -19.558 20.087 1.00 1.13 H new ATOM 0 HB3 LYS A 48 14.435 -20.503 19.072 1.00 1.13 H new ATOM 0 HG2 LYS A 48 17.248 -20.071 18.071 1.00 1.09 H new ATOM 0 HG3 LYS A 48 17.042 -21.169 19.421 1.00 1.09 H new ATOM 0 HD2 LYS A 48 15.630 -21.350 16.710 1.00 1.09 H new ATOM 0 HD3 LYS A 48 16.871 -22.435 17.306 1.00 1.09 H new ATOM 0 HE2 LYS A 48 15.074 -22.582 19.388 1.00 1.11 H new ATOM 0 HE3 LYS A 48 13.972 -22.271 18.061 1.00 1.11 H new ATOM 0 HZ1 LYS A 48 14.356 -24.645 18.343 1.00 1.40 H new ATOM 0 HZ2 LYS A 48 14.960 -24.134 16.840 1.00 1.40 H new ATOM 0 HZ3 LYS A 48 16.027 -24.436 18.126 1.00 1.40 H new ATOM 727 N THR A 49 13.716 -16.948 18.987 1.00 0.89 N ATOM 728 CA THR A 49 12.398 -16.317 19.222 1.00 0.88 C ATOM 729 C THR A 49 12.527 -14.803 19.184 1.00 0.66 C ATOM 730 O THR A 49 13.436 -14.220 19.737 1.00 0.66 O ATOM 731 CB THR A 49 11.849 -16.749 20.573 1.00 1.13 C ATOM 732 OG1 THR A 49 12.879 -16.682 21.549 1.00 1.19 O ATOM 733 CG2 THR A 49 11.341 -18.179 20.451 1.00 1.33 C ATOM 0 H THR A 49 14.520 -16.431 19.342 1.00 0.89 H new ATOM 0 HA THR A 49 11.713 -16.636 18.436 1.00 0.88 H new ATOM 0 HB THR A 49 11.035 -16.091 20.877 1.00 1.13 H new ATOM 0 HG1 THR A 49 12.524 -16.959 22.419 1.00 1.19 H new ATOM 0 HG21 THR A 49 10.943 -18.507 21.411 1.00 1.33 H new ATOM 0 HG22 THR A 49 10.554 -18.223 19.698 1.00 1.33 H new ATOM 0 HG23 THR A 49 12.162 -18.833 20.156 1.00 1.33 H new ATOM 741 N ALA A 50 11.605 -14.170 18.538 1.00 0.56 N ATOM 742 CA ALA A 50 11.630 -12.695 18.444 1.00 0.36 C ATOM 743 C ALA A 50 10.280 -12.161 18.892 1.00 0.38 C ATOM 744 O ALA A 50 9.295 -12.861 18.846 1.00 0.45 O ATOM 745 CB ALA A 50 11.896 -12.279 17.002 1.00 0.16 C ATOM 0 H ALA A 50 10.821 -14.618 18.063 1.00 0.56 H new ATOM 0 HA ALA A 50 12.419 -12.292 19.078 1.00 0.36 H new ATOM 0 HB1 ALA A 50 11.914 -11.191 16.935 1.00 0.16 H new ATOM 0 HB2 ALA A 50 12.857 -12.679 16.679 1.00 0.16 H new ATOM 0 HB3 ALA A 50 11.107 -12.669 16.359 1.00 0.16 H new ATOM 751 N LYS A 51 10.225 -10.941 19.342 1.00 0.35 N ATOM 752 CA LYS A 51 8.928 -10.386 19.813 1.00 0.35 C ATOM 753 C LYS A 51 8.719 -8.980 19.258 1.00 0.25 C ATOM 754 O LYS A 51 9.644 -8.213 19.113 1.00 0.33 O ATOM 755 CB LYS A 51 8.925 -10.334 21.334 1.00 0.56 C ATOM 756 CG LYS A 51 7.969 -9.243 21.803 1.00 1.90 C ATOM 757 CD LYS A 51 7.539 -9.547 23.233 1.00 1.03 C ATOM 758 CE LYS A 51 8.543 -8.919 24.203 1.00 0.46 C ATOM 759 NZ LYS A 51 8.907 -9.913 25.254 1.00 1.12 N ATOM 0 H LYS A 51 11.020 -10.305 19.404 1.00 0.35 H new ATOM 0 HA LYS A 51 8.120 -11.028 19.461 1.00 0.35 H new ATOM 0 HB2 LYS A 51 8.621 -11.298 21.741 1.00 0.56 H new ATOM 0 HB3 LYS A 51 9.931 -10.135 21.704 1.00 0.56 H new ATOM 0 HG2 LYS A 51 8.455 -8.269 21.754 1.00 1.90 H new ATOM 0 HG3 LYS A 51 7.098 -9.198 21.149 1.00 1.90 H new ATOM 0 HD2 LYS A 51 6.540 -9.151 23.417 1.00 1.03 H new ATOM 0 HD3 LYS A 51 7.489 -10.625 23.389 1.00 1.03 H new ATOM 0 HE2 LYS A 51 9.435 -8.600 23.664 1.00 0.46 H new ATOM 0 HE3 LYS A 51 8.113 -8.029 24.662 1.00 0.46 H new ATOM 0 HZ1 LYS A 51 9.589 -9.487 25.913 1.00 1.12 H new ATOM 0 HZ2 LYS A 51 8.053 -10.196 25.775 1.00 1.12 H new ATOM 0 HZ3 LYS A 51 9.334 -10.750 24.808 1.00 1.12 H new ATOM 773 N ILE A 52 7.505 -8.629 18.957 1.00 0.16 N ATOM 774 CA ILE A 52 7.248 -7.266 18.422 1.00 0.25 C ATOM 775 C ILE A 52 6.843 -6.348 19.577 1.00 0.35 C ATOM 776 O ILE A 52 6.345 -6.792 20.592 1.00 0.41 O ATOM 777 CB ILE A 52 6.137 -7.313 17.370 1.00 0.25 C ATOM 778 CG1 ILE A 52 5.780 -5.887 16.943 1.00 0.40 C ATOM 779 CG2 ILE A 52 4.899 -7.992 17.954 1.00 0.24 C ATOM 780 CD1 ILE A 52 4.648 -5.930 15.916 1.00 0.81 C ATOM 0 H ILE A 52 6.682 -9.223 19.057 1.00 0.16 H new ATOM 0 HA ILE A 52 8.152 -6.882 17.949 1.00 0.25 H new ATOM 0 HB ILE A 52 6.484 -7.879 16.506 1.00 0.25 H new ATOM 0 HG12 ILE A 52 5.476 -5.302 17.811 1.00 0.40 H new ATOM 0 HG13 ILE A 52 6.654 -5.394 16.516 1.00 0.40 H new ATOM 0 HG21 ILE A 52 4.112 -8.023 17.201 1.00 0.24 H new ATOM 0 HG22 ILE A 52 5.151 -9.008 18.258 1.00 0.24 H new ATOM 0 HG23 ILE A 52 4.551 -7.430 18.821 1.00 0.24 H new ATOM 0 HD11 ILE A 52 4.394 -4.915 15.612 1.00 0.81 H new ATOM 0 HD12 ILE A 52 4.969 -6.500 15.044 1.00 0.81 H new ATOM 0 HD13 ILE A 52 3.773 -6.406 16.359 1.00 0.81 H new ATOM 792 N GLU A 53 7.068 -5.075 19.433 1.00 0.36 N ATOM 793 CA GLU A 53 6.722 -4.121 20.515 1.00 0.44 C ATOM 794 C GLU A 53 6.161 -2.853 19.882 1.00 0.50 C ATOM 795 O GLU A 53 6.859 -2.133 19.197 1.00 0.53 O ATOM 796 CB GLU A 53 7.996 -3.774 21.295 1.00 0.47 C ATOM 797 CG GLU A 53 7.732 -3.880 22.796 1.00 0.44 C ATOM 798 CD GLU A 53 8.863 -3.188 23.562 1.00 0.46 C ATOM 799 OE1 GLU A 53 9.459 -2.280 23.006 1.00 0.94 O ATOM 800 OE2 GLU A 53 9.113 -3.578 24.691 1.00 1.24 O ATOM 0 H GLU A 53 7.481 -4.651 18.602 1.00 0.36 H new ATOM 0 HA GLU A 53 5.986 -4.560 21.188 1.00 0.44 H new ATOM 0 HB2 GLU A 53 8.803 -4.450 21.010 1.00 0.47 H new ATOM 0 HB3 GLU A 53 8.322 -2.765 21.045 1.00 0.47 H new ATOM 0 HG2 GLU A 53 6.776 -3.418 23.042 1.00 0.44 H new ATOM 0 HG3 GLU A 53 7.665 -4.927 23.092 1.00 0.44 H new ATOM 807 N ILE A 54 4.915 -2.562 20.102 1.00 0.51 N ATOM 808 CA ILE A 54 4.343 -1.331 19.504 1.00 0.58 C ATOM 809 C ILE A 54 3.980 -0.353 20.623 1.00 0.63 C ATOM 810 O ILE A 54 3.333 -0.711 21.587 1.00 0.82 O ATOM 811 CB ILE A 54 3.089 -1.669 18.696 1.00 0.57 C ATOM 812 CG1 ILE A 54 3.337 -2.923 17.853 1.00 0.50 C ATOM 813 CG2 ILE A 54 2.754 -0.496 17.779 1.00 0.66 C ATOM 814 CD1 ILE A 54 3.117 -4.159 18.718 1.00 0.36 C ATOM 0 H ILE A 54 4.272 -3.118 20.665 1.00 0.51 H new ATOM 0 HA ILE A 54 5.079 -0.880 18.839 1.00 0.58 H new ATOM 0 HB ILE A 54 2.257 -1.855 19.376 1.00 0.57 H new ATOM 0 HG12 ILE A 54 2.663 -2.939 16.996 1.00 0.50 H new ATOM 0 HG13 ILE A 54 4.353 -2.916 17.459 1.00 0.50 H new ATOM 0 HG21 ILE A 54 1.861 -0.730 17.200 1.00 0.66 H new ATOM 0 HG22 ILE A 54 2.573 0.395 18.380 1.00 0.66 H new ATOM 0 HG23 ILE A 54 3.588 -0.314 17.101 1.00 0.66 H new ATOM 0 HD11 ILE A 54 3.292 -5.055 18.123 1.00 0.36 H new ATOM 0 HD12 ILE A 54 3.809 -4.142 19.560 1.00 0.36 H new ATOM 0 HD13 ILE A 54 2.093 -4.165 19.090 1.00 0.36 H new ATOM 826 N LYS A 55 4.390 0.877 20.506 1.00 0.47 N ATOM 827 CA LYS A 55 4.068 1.874 21.562 1.00 0.51 C ATOM 828 C LYS A 55 3.393 3.073 20.912 1.00 0.44 C ATOM 829 O LYS A 55 3.826 3.559 19.889 1.00 0.30 O ATOM 830 CB LYS A 55 5.355 2.310 22.256 1.00 0.55 C ATOM 831 CG LYS A 55 5.804 1.187 23.185 1.00 0.64 C ATOM 832 CD LYS A 55 6.631 1.763 24.338 1.00 0.60 C ATOM 833 CE LYS A 55 7.165 0.622 25.206 1.00 1.23 C ATOM 834 NZ LYS A 55 7.988 1.179 26.316 1.00 1.39 N ATOM 0 H LYS A 55 4.936 1.236 19.723 1.00 0.47 H new ATOM 0 HA LYS A 55 3.399 1.436 22.303 1.00 0.51 H new ATOM 0 HB2 LYS A 55 6.129 2.525 21.519 1.00 0.55 H new ATOM 0 HB3 LYS A 55 5.189 3.227 22.822 1.00 0.55 H new ATOM 0 HG2 LYS A 55 4.935 0.659 23.578 1.00 0.64 H new ATOM 0 HG3 LYS A 55 6.396 0.459 22.630 1.00 0.64 H new ATOM 0 HD2 LYS A 55 7.459 2.353 23.946 1.00 0.60 H new ATOM 0 HD3 LYS A 55 6.018 2.434 24.939 1.00 0.60 H new ATOM 0 HE2 LYS A 55 6.336 0.041 25.611 1.00 1.23 H new ATOM 0 HE3 LYS A 55 7.765 -0.058 24.601 1.00 1.23 H new ATOM 0 HZ1 LYS A 55 8.637 0.447 26.669 1.00 1.39 H new ATOM 0 HZ2 LYS A 55 8.538 1.990 25.967 1.00 1.39 H new ATOM 0 HZ3 LYS A 55 7.365 1.490 27.088 1.00 1.39 H new ATOM 848 N ALA A 56 2.326 3.546 21.477 1.00 0.53 N ATOM 849 CA ALA A 56 1.634 4.700 20.840 1.00 0.46 C ATOM 850 C ALA A 56 1.535 5.882 21.801 1.00 0.29 C ATOM 851 O ALA A 56 1.114 5.752 22.933 1.00 0.17 O ATOM 852 CB ALA A 56 0.229 4.278 20.411 1.00 0.47 C ATOM 0 H ALA A 56 1.905 3.194 22.337 1.00 0.53 H new ATOM 0 HA ALA A 56 2.215 5.010 19.971 1.00 0.46 H new ATOM 0 HB1 ALA A 56 -0.278 5.123 19.945 1.00 0.47 H new ATOM 0 HB2 ALA A 56 0.298 3.457 19.697 1.00 0.47 H new ATOM 0 HB3 ALA A 56 -0.336 3.953 21.285 1.00 0.47 H new ATOM 858 N SER A 57 1.899 7.045 21.335 1.00 0.33 N ATOM 859 CA SER A 57 1.809 8.259 22.190 1.00 0.32 C ATOM 860 C SER A 57 0.504 8.982 21.857 1.00 0.15 C ATOM 861 O SER A 57 0.030 8.938 20.737 1.00 0.06 O ATOM 862 CB SER A 57 2.997 9.182 21.909 1.00 0.53 C ATOM 863 OG SER A 57 2.530 10.390 21.320 1.00 0.35 O ATOM 0 H SER A 57 2.257 7.206 20.393 1.00 0.33 H new ATOM 0 HA SER A 57 1.827 7.979 23.243 1.00 0.32 H new ATOM 0 HB2 SER A 57 3.530 9.399 22.835 1.00 0.53 H new ATOM 0 HB3 SER A 57 3.704 8.689 21.242 1.00 0.53 H new ATOM 0 HG SER A 57 3.290 10.982 21.141 1.00 0.35 H new ATOM 869 N LEU A 58 -0.088 9.635 22.812 1.00 0.40 N ATOM 870 CA LEU A 58 -1.368 10.343 22.544 1.00 0.53 C ATOM 871 C LEU A 58 -1.135 11.851 22.565 1.00 0.65 C ATOM 872 O LEU A 58 -1.758 12.577 23.316 1.00 0.79 O ATOM 873 CB LEU A 58 -2.380 9.971 23.619 1.00 0.80 C ATOM 874 CG LEU A 58 -2.313 8.465 23.876 1.00 0.56 C ATOM 875 CD1 LEU A 58 -3.312 8.087 24.969 1.00 0.74 C ATOM 876 CD2 LEU A 58 -2.653 7.713 22.587 1.00 0.65 C ATOM 0 H LEU A 58 0.258 9.710 23.768 1.00 0.40 H new ATOM 0 HA LEU A 58 -1.747 10.052 21.565 1.00 0.53 H new ATOM 0 HB2 LEU A 58 -2.169 10.518 24.538 1.00 0.80 H new ATOM 0 HB3 LEU A 58 -3.384 10.253 23.303 1.00 0.80 H new ATOM 0 HG LEU A 58 -1.307 8.196 24.199 1.00 0.56 H new ATOM 0 HD11 LEU A 58 -3.263 7.013 25.151 1.00 0.74 H new ATOM 0 HD12 LEU A 58 -3.067 8.622 25.886 1.00 0.74 H new ATOM 0 HD13 LEU A 58 -4.319 8.355 24.650 1.00 0.74 H new ATOM 0 HD21 LEU A 58 -2.606 6.639 22.769 1.00 0.65 H new ATOM 0 HD22 LEU A 58 -3.658 7.982 22.263 1.00 0.65 H new ATOM 0 HD23 LEU A 58 -1.937 7.981 21.810 1.00 0.65 H new ATOM 888 N ASP A 59 -0.243 12.322 21.745 1.00 0.63 N ATOM 889 CA ASP A 59 0.046 13.782 21.701 1.00 0.78 C ATOM 890 C ASP A 59 0.083 14.344 23.123 1.00 0.96 C ATOM 891 O ASP A 59 -0.199 15.505 23.347 1.00 1.12 O ATOM 892 CB ASP A 59 -1.043 14.497 20.901 1.00 0.78 C ATOM 893 CG ASP A 59 -0.444 15.733 20.229 1.00 0.80 C ATOM 894 OD1 ASP A 59 0.447 15.565 19.414 1.00 1.53 O ATOM 895 OD2 ASP A 59 -0.884 16.826 20.542 1.00 1.19 O ATOM 0 H ASP A 59 0.304 11.755 21.097 1.00 0.63 H new ATOM 0 HA ASP A 59 1.013 13.941 21.223 1.00 0.78 H new ATOM 0 HB2 ASP A 59 -1.459 13.826 20.150 1.00 0.78 H new ATOM 0 HB3 ASP A 59 -1.863 14.787 21.558 1.00 0.78 H new ATOM 900 N GLY A 60 0.427 13.533 24.087 1.00 0.93 N ATOM 901 CA GLY A 60 0.480 14.032 25.489 1.00 1.09 C ATOM 902 C GLY A 60 0.765 12.874 26.449 1.00 0.96 C ATOM 903 O GLY A 60 1.640 12.956 27.290 1.00 1.10 O ATOM 0 H GLY A 60 0.672 12.551 23.964 1.00 0.93 H new ATOM 0 HA2 GLY A 60 1.255 14.792 25.584 1.00 1.09 H new ATOM 0 HA3 GLY A 60 -0.466 14.507 25.750 1.00 1.09 H new ATOM 907 N LEU A 61 0.034 11.797 26.341 1.00 0.76 N ATOM 908 CA LEU A 61 0.270 10.646 27.261 1.00 0.62 C ATOM 909 C LEU A 61 0.918 9.488 26.498 1.00 0.36 C ATOM 910 O LEU A 61 0.307 8.875 25.647 1.00 0.34 O ATOM 911 CB LEU A 61 -1.068 10.180 27.844 1.00 0.71 C ATOM 912 CG LEU A 61 -0.975 8.698 28.212 1.00 0.50 C ATOM 913 CD1 LEU A 61 0.174 8.490 29.197 1.00 0.33 C ATOM 914 CD2 LEU A 61 -2.285 8.246 28.859 1.00 0.70 C ATOM 0 H LEU A 61 -0.713 11.664 25.659 1.00 0.76 H new ATOM 0 HA LEU A 61 0.935 10.963 28.064 1.00 0.62 H new ATOM 0 HB2 LEU A 61 -1.318 10.770 28.726 1.00 0.71 H new ATOM 0 HB3 LEU A 61 -1.867 10.336 27.119 1.00 0.71 H new ATOM 0 HG LEU A 61 -0.795 8.113 27.310 1.00 0.50 H new ATOM 0 HD11 LEU A 61 0.241 7.434 29.460 1.00 0.33 H new ATOM 0 HD12 LEU A 61 1.109 8.810 28.738 1.00 0.33 H new ATOM 0 HD13 LEU A 61 -0.008 9.077 30.097 1.00 0.33 H new ATOM 0 HD21 LEU A 61 -2.216 7.190 29.120 1.00 0.70 H new ATOM 0 HD22 LEU A 61 -2.467 8.832 29.760 1.00 0.70 H new ATOM 0 HD23 LEU A 61 -3.107 8.394 28.158 1.00 0.70 H new ATOM 926 N GLU A 62 2.148 9.172 26.806 1.00 0.31 N ATOM 927 CA GLU A 62 2.826 8.047 26.103 1.00 0.26 C ATOM 928 C GLU A 62 2.349 6.725 26.705 1.00 0.23 C ATOM 929 O GLU A 62 2.424 6.511 27.899 1.00 0.26 O ATOM 930 CB GLU A 62 4.341 8.176 26.266 1.00 0.51 C ATOM 931 CG GLU A 62 4.960 6.789 26.434 1.00 1.16 C ATOM 932 CD GLU A 62 6.485 6.913 26.495 1.00 1.36 C ATOM 933 OE1 GLU A 62 6.992 7.240 27.557 1.00 1.44 O ATOM 934 OE2 GLU A 62 7.121 6.672 25.482 1.00 1.45 O ATOM 0 H GLU A 62 2.711 9.644 27.513 1.00 0.31 H new ATOM 0 HA GLU A 62 2.582 8.074 25.041 1.00 0.26 H new ATOM 0 HB2 GLU A 62 4.769 8.673 25.396 1.00 0.51 H new ATOM 0 HB3 GLU A 62 4.572 8.795 27.133 1.00 0.51 H new ATOM 0 HG2 GLU A 62 4.586 6.320 27.344 1.00 1.16 H new ATOM 0 HG3 GLU A 62 4.670 6.147 25.602 1.00 1.16 H new ATOM 941 N ILE A 63 1.838 5.846 25.890 1.00 0.24 N ATOM 942 CA ILE A 63 1.331 4.555 26.399 1.00 0.32 C ATOM 943 C ILE A 63 2.071 3.398 25.732 1.00 0.48 C ATOM 944 O ILE A 63 2.703 3.545 24.706 1.00 0.43 O ATOM 945 CB ILE A 63 -0.136 4.433 26.013 1.00 0.36 C ATOM 946 CG1 ILE A 63 -0.985 5.465 26.758 1.00 0.26 C ATOM 947 CG2 ILE A 63 -0.629 3.035 26.321 1.00 0.56 C ATOM 948 CD1 ILE A 63 -2.446 5.353 26.300 1.00 0.52 C ATOM 0 H ILE A 63 1.752 5.974 24.882 1.00 0.24 H new ATOM 0 HA ILE A 63 1.473 4.518 27.479 1.00 0.32 H new ATOM 0 HB ILE A 63 -0.230 4.624 24.944 1.00 0.36 H new ATOM 0 HG12 ILE A 63 -0.916 5.300 27.833 1.00 0.26 H new ATOM 0 HG13 ILE A 63 -0.608 6.469 26.565 1.00 0.26 H new ATOM 0 HG21 ILE A 63 -1.680 2.950 26.044 1.00 0.56 H new ATOM 0 HG22 ILE A 63 -0.045 2.310 25.754 1.00 0.56 H new ATOM 0 HG23 ILE A 63 -0.518 2.837 27.387 1.00 0.56 H new ATOM 0 HD11 ILE A 63 -3.051 6.088 26.831 1.00 0.52 H new ATOM 0 HD12 ILE A 63 -2.506 5.539 25.228 1.00 0.52 H new ATOM 0 HD13 ILE A 63 -2.819 4.352 26.516 1.00 0.52 H new ATOM 960 N ASP A 64 1.923 2.240 26.288 1.00 0.62 N ATOM 961 CA ASP A 64 2.527 1.017 25.693 1.00 0.74 C ATOM 962 C ASP A 64 1.359 0.164 25.219 1.00 0.81 C ATOM 963 O ASP A 64 0.605 -0.357 26.014 1.00 1.31 O ATOM 964 CB ASP A 64 3.341 0.255 26.742 1.00 0.87 C ATOM 965 CG ASP A 64 4.058 1.249 27.658 1.00 0.77 C ATOM 966 OD1 ASP A 64 3.438 1.711 28.601 1.00 1.25 O ATOM 967 OD2 ASP A 64 5.218 1.527 27.402 1.00 1.36 O ATOM 0 H ASP A 64 1.399 2.080 27.148 1.00 0.62 H new ATOM 0 HA ASP A 64 3.204 1.267 24.876 1.00 0.74 H new ATOM 0 HB2 ASP A 64 2.685 -0.388 27.329 1.00 0.87 H new ATOM 0 HB3 ASP A 64 4.068 -0.393 26.252 1.00 0.87 H new ATOM 972 N VAL A 65 1.171 0.062 23.939 1.00 0.67 N ATOM 973 CA VAL A 65 0.008 -0.705 23.417 1.00 0.66 C ATOM 974 C VAL A 65 0.180 -2.215 23.622 1.00 0.70 C ATOM 975 O VAL A 65 1.038 -2.830 23.020 1.00 0.81 O ATOM 976 CB VAL A 65 -0.131 -0.415 21.935 1.00 0.54 C ATOM 977 CG1 VAL A 65 -1.483 -0.932 21.445 1.00 0.54 C ATOM 978 CG2 VAL A 65 -0.038 1.098 21.711 1.00 0.44 C ATOM 0 H VAL A 65 1.773 0.477 23.227 1.00 0.67 H new ATOM 0 HA VAL A 65 -0.883 -0.396 23.964 1.00 0.66 H new ATOM 0 HB VAL A 65 0.665 -0.912 21.380 1.00 0.54 H new ATOM 0 HG11 VAL A 65 -1.587 -0.726 20.380 1.00 0.54 H new ATOM 0 HG12 VAL A 65 -1.544 -2.007 21.614 1.00 0.54 H new ATOM 0 HG13 VAL A 65 -2.283 -0.433 21.991 1.00 0.54 H new ATOM 0 HG21 VAL A 65 -0.137 1.315 20.647 1.00 0.44 H new ATOM 0 HG22 VAL A 65 -0.837 1.597 22.259 1.00 0.44 H new ATOM 0 HG23 VAL A 65 0.927 1.460 22.067 1.00 0.44 H new ATOM 988 N PRO A 66 -0.670 -2.768 24.452 1.00 0.63 N ATOM 989 CA PRO A 66 -0.685 -4.206 24.751 1.00 0.65 C ATOM 990 C PRO A 66 -1.547 -4.930 23.709 1.00 0.65 C ATOM 991 O PRO A 66 -1.778 -4.428 22.627 1.00 0.67 O ATOM 992 CB PRO A 66 -1.357 -4.270 26.127 1.00 0.64 C ATOM 993 CG PRO A 66 -2.197 -2.976 26.265 1.00 0.61 C ATOM 994 CD PRO A 66 -1.692 -2.001 25.184 1.00 0.55 C ATOM 0 HA PRO A 66 0.301 -4.669 24.736 1.00 0.65 H new ATOM 0 HB2 PRO A 66 -1.989 -5.154 26.209 1.00 0.64 H new ATOM 0 HB3 PRO A 66 -0.612 -4.336 26.920 1.00 0.64 H new ATOM 0 HG2 PRO A 66 -3.258 -3.187 26.130 1.00 0.61 H new ATOM 0 HG3 PRO A 66 -2.082 -2.544 27.259 1.00 0.61 H new ATOM 0 HD2 PRO A 66 -2.500 -1.685 24.525 1.00 0.55 H new ATOM 0 HD3 PRO A 66 -1.271 -1.099 25.627 1.00 0.55 H new ATOM 1002 N GLY A 67 -2.045 -6.088 24.038 1.00 0.64 N ATOM 1003 CA GLY A 67 -2.916 -6.830 23.082 1.00 0.64 C ATOM 1004 C GLY A 67 -2.204 -7.033 21.742 1.00 0.68 C ATOM 1005 O GLY A 67 -2.821 -7.007 20.695 1.00 0.96 O ATOM 0 H GLY A 67 -1.887 -6.555 24.931 1.00 0.64 H new ATOM 0 HA2 GLY A 67 -3.186 -7.797 23.505 1.00 0.64 H new ATOM 0 HA3 GLY A 67 -3.844 -6.280 22.926 1.00 0.64 H new ATOM 1009 N ILE A 68 -0.919 -7.254 21.758 1.00 0.43 N ATOM 1010 CA ILE A 68 -0.192 -7.481 20.476 1.00 0.40 C ATOM 1011 C ILE A 68 0.470 -8.857 20.521 1.00 0.36 C ATOM 1012 O ILE A 68 0.067 -9.728 21.266 1.00 0.21 O ATOM 1013 CB ILE A 68 0.893 -6.424 20.287 1.00 0.39 C ATOM 1014 CG1 ILE A 68 1.948 -6.623 21.378 1.00 0.35 C ATOM 1015 CG2 ILE A 68 0.274 -5.027 20.379 1.00 0.50 C ATOM 1016 CD1 ILE A 68 2.926 -5.451 21.395 1.00 0.52 C ATOM 0 H ILE A 68 -0.342 -7.287 22.599 1.00 0.43 H new ATOM 0 HA ILE A 68 -0.901 -7.420 19.650 1.00 0.40 H new ATOM 0 HB ILE A 68 1.359 -6.523 19.306 1.00 0.39 H new ATOM 0 HG12 ILE A 68 1.462 -6.713 22.350 1.00 0.35 H new ATOM 0 HG13 ILE A 68 2.489 -7.553 21.204 1.00 0.35 H new ATOM 0 HG21 ILE A 68 1.051 -4.275 20.244 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -0.482 -4.912 19.602 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -0.189 -4.898 21.357 1.00 0.50 H new ATOM 0 HD11 ILE A 68 3.669 -5.609 22.177 1.00 0.52 H new ATOM 0 HD12 ILE A 68 3.425 -5.380 20.429 1.00 0.52 H new ATOM 0 HD13 ILE A 68 2.383 -4.527 21.592 1.00 0.52 H new ATOM 1028 N ASP A 69 1.485 -9.058 19.728 1.00 0.51 N ATOM 1029 CA ASP A 69 2.173 -10.374 19.724 1.00 0.47 C ATOM 1030 C ASP A 69 3.543 -10.231 20.382 1.00 0.45 C ATOM 1031 O ASP A 69 4.456 -9.664 19.820 1.00 0.42 O ATOM 1032 CB ASP A 69 2.348 -10.860 18.282 1.00 0.45 C ATOM 1033 CG ASP A 69 2.931 -12.275 18.284 1.00 0.32 C ATOM 1034 OD1 ASP A 69 2.838 -12.932 19.308 1.00 0.44 O ATOM 1035 OD2 ASP A 69 3.463 -12.677 17.262 1.00 0.22 O ATOM 0 H ASP A 69 1.866 -8.366 19.083 1.00 0.51 H new ATOM 0 HA ASP A 69 1.574 -11.097 20.278 1.00 0.47 H new ATOM 0 HB2 ASP A 69 1.388 -10.852 17.766 1.00 0.45 H new ATOM 0 HB3 ASP A 69 3.008 -10.185 17.738 1.00 0.45 H new ATOM 1040 N THR A 70 3.702 -10.751 21.566 1.00 0.47 N ATOM 1041 CA THR A 70 5.023 -10.654 22.245 1.00 0.46 C ATOM 1042 C THR A 70 5.886 -11.837 21.797 1.00 0.39 C ATOM 1043 O THR A 70 6.531 -12.492 22.590 1.00 0.42 O ATOM 1044 CB THR A 70 4.819 -10.688 23.762 1.00 0.51 C ATOM 1045 OG1 THR A 70 4.124 -11.875 24.119 1.00 0.76 O ATOM 1046 CG2 THR A 70 4.001 -9.465 24.189 1.00 0.22 C ATOM 0 H THR A 70 2.976 -11.238 22.092 1.00 0.47 H new ATOM 0 HA THR A 70 5.520 -9.720 21.982 1.00 0.46 H new ATOM 0 HB THR A 70 5.787 -10.672 24.263 1.00 0.51 H new ATOM 0 HG1 THR A 70 3.994 -11.899 25.090 1.00 0.76 H new ATOM 0 HG21 THR A 70 3.853 -9.485 25.269 1.00 0.22 H new ATOM 0 HG22 THR A 70 4.535 -8.556 23.913 1.00 0.22 H new ATOM 0 HG23 THR A 70 3.032 -9.483 23.690 1.00 0.22 H new ATOM 1054 N ASN A 71 5.885 -12.102 20.517 1.00 0.30 N ATOM 1055 CA ASN A 71 6.675 -13.228 19.953 1.00 0.23 C ATOM 1056 C ASN A 71 6.346 -13.315 18.455 1.00 0.21 C ATOM 1057 O ASN A 71 5.467 -14.043 18.041 1.00 0.37 O ATOM 1058 CB ASN A 71 6.287 -14.521 20.667 1.00 0.36 C ATOM 1059 CG ASN A 71 7.187 -15.665 20.192 1.00 0.44 C ATOM 1060 OD1 ASN A 71 8.349 -15.461 19.906 1.00 1.05 O ATOM 1061 ND2 ASN A 71 6.697 -16.871 20.102 1.00 0.27 N ATOM 0 H ASN A 71 5.356 -11.570 19.826 1.00 0.30 H new ATOM 0 HA ASN A 71 7.745 -13.072 20.090 1.00 0.23 H new ATOM 0 HB2 ASN A 71 6.382 -14.395 21.745 1.00 0.36 H new ATOM 0 HB3 ASN A 71 5.243 -14.760 20.465 1.00 0.36 H new ATOM 0 HD21 ASN A 71 7.290 -17.641 19.792 1.00 0.27 H new ATOM 0 HD22 ASN A 71 5.721 -17.044 20.342 1.00 0.27 H new ATOM 1068 N ALA A 72 7.009 -12.519 17.653 1.00 0.12 N ATOM 1069 CA ALA A 72 6.715 -12.476 16.191 1.00 0.29 C ATOM 1070 C ALA A 72 7.201 -13.726 15.444 1.00 0.29 C ATOM 1071 O ALA A 72 7.095 -13.790 14.239 1.00 0.27 O ATOM 1072 CB ALA A 72 7.398 -11.244 15.597 1.00 0.39 C ATOM 0 H ALA A 72 7.752 -11.889 17.956 1.00 0.12 H new ATOM 0 HA ALA A 72 5.632 -12.434 16.073 1.00 0.29 H new ATOM 0 HB1 ALA A 72 7.194 -11.195 14.527 1.00 0.39 H new ATOM 0 HB2 ALA A 72 7.014 -10.346 16.081 1.00 0.39 H new ATOM 0 HB3 ALA A 72 8.474 -11.311 15.759 1.00 0.39 H new ATOM 1078 N CYS A 73 7.724 -14.718 16.110 1.00 0.35 N ATOM 1079 CA CYS A 73 8.176 -15.925 15.354 1.00 0.38 C ATOM 1080 C CYS A 73 6.952 -16.593 14.719 1.00 0.42 C ATOM 1081 O CYS A 73 7.067 -17.434 13.852 1.00 0.49 O ATOM 1082 CB CYS A 73 8.881 -16.921 16.289 1.00 0.46 C ATOM 1083 SG CYS A 73 8.924 -18.556 15.500 1.00 0.53 S ATOM 0 H CYS A 73 7.857 -14.749 17.121 1.00 0.35 H new ATOM 0 HA CYS A 73 8.884 -15.621 14.583 1.00 0.38 H new ATOM 0 HB2 CYS A 73 9.894 -16.581 16.504 1.00 0.46 H new ATOM 0 HB3 CYS A 73 8.355 -16.978 17.242 1.00 0.46 H new ATOM 1088 N HIS A 74 5.776 -16.215 15.144 1.00 0.39 N ATOM 1089 CA HIS A 74 4.541 -16.822 14.567 1.00 0.44 C ATOM 1090 C HIS A 74 4.289 -16.251 13.170 1.00 0.47 C ATOM 1091 O HIS A 74 3.636 -16.860 12.347 1.00 0.55 O ATOM 1092 CB HIS A 74 3.348 -16.495 15.466 1.00 0.41 C ATOM 1093 CG HIS A 74 3.388 -17.365 16.691 1.00 0.46 C ATOM 1094 ND1 HIS A 74 2.694 -17.047 17.848 1.00 1.57 N ATOM 1095 CD2 HIS A 74 4.032 -18.549 16.953 1.00 0.23 C ATOM 1096 CE1 HIS A 74 2.935 -18.021 18.746 1.00 1.82 C ATOM 1097 NE2 HIS A 74 3.744 -18.960 18.252 1.00 0.89 N ATOM 0 H HIS A 74 5.617 -15.512 15.866 1.00 0.39 H new ATOM 0 HA HIS A 74 4.668 -17.902 14.500 1.00 0.44 H new ATOM 0 HB2 HIS A 74 3.373 -15.444 15.753 1.00 0.41 H new ATOM 0 HB3 HIS A 74 2.416 -16.655 14.924 1.00 0.41 H new ATOM 0 HD2 HIS A 74 4.665 -19.080 16.258 1.00 0.23 H new ATOM 0 HE1 HIS A 74 2.524 -18.040 19.744 1.00 1.82 H new ATOM 0 HE2 HIS A 74 4.080 -19.799 18.725 1.00 0.89 H new ATOM 1105 N PHE A 75 4.800 -15.083 12.899 1.00 0.45 N ATOM 1106 CA PHE A 75 4.589 -14.465 11.560 1.00 0.54 C ATOM 1107 C PHE A 75 5.909 -14.478 10.786 1.00 0.56 C ATOM 1108 O PHE A 75 5.940 -14.322 9.583 1.00 0.77 O ATOM 1109 CB PHE A 75 4.112 -13.026 11.742 1.00 0.54 C ATOM 1110 CG PHE A 75 2.846 -13.014 12.568 1.00 0.52 C ATOM 1111 CD1 PHE A 75 2.925 -13.015 13.966 1.00 0.41 C ATOM 1112 CD2 PHE A 75 1.596 -13.000 11.937 1.00 0.86 C ATOM 1113 CE1 PHE A 75 1.753 -13.005 14.734 1.00 0.42 C ATOM 1114 CE2 PHE A 75 0.424 -12.989 12.705 1.00 0.84 C ATOM 1115 CZ PHE A 75 0.504 -12.989 14.103 1.00 0.48 C ATOM 0 H PHE A 75 5.356 -14.528 13.549 1.00 0.45 H new ATOM 0 HA PHE A 75 3.839 -15.028 11.005 1.00 0.54 H new ATOM 0 HB2 PHE A 75 4.885 -12.435 12.233 1.00 0.54 H new ATOM 0 HB3 PHE A 75 3.929 -12.567 10.770 1.00 0.54 H new ATOM 0 HD1 PHE A 75 3.889 -13.023 14.452 1.00 0.41 H new ATOM 0 HD2 PHE A 75 1.535 -12.998 10.859 1.00 0.86 H new ATOM 0 HE1 PHE A 75 1.814 -13.010 15.812 1.00 0.42 H new ATOM 0 HE2 PHE A 75 -0.540 -12.981 12.219 1.00 0.84 H new ATOM 0 HZ PHE A 75 -0.399 -12.977 14.695 1.00 0.48 H new ATOM 1125 N VAL A 76 6.997 -14.679 11.476 1.00 0.40 N ATOM 1126 CA VAL A 76 8.322 -14.725 10.802 1.00 0.41 C ATOM 1127 C VAL A 76 8.919 -16.117 11.014 1.00 0.45 C ATOM 1128 O VAL A 76 8.428 -16.895 11.808 1.00 0.51 O ATOM 1129 CB VAL A 76 9.236 -13.639 11.377 1.00 0.34 C ATOM 1130 CG1 VAL A 76 8.437 -12.358 11.578 1.00 0.28 C ATOM 1131 CG2 VAL A 76 9.825 -14.103 12.711 1.00 0.43 C ATOM 0 H VAL A 76 7.024 -14.814 12.487 1.00 0.40 H new ATOM 0 HA VAL A 76 8.216 -14.537 9.734 1.00 0.41 H new ATOM 0 HB VAL A 76 10.053 -13.449 10.680 1.00 0.34 H new ATOM 0 HG11 VAL A 76 9.087 -11.584 11.987 1.00 0.28 H new ATOM 0 HG12 VAL A 76 8.035 -12.026 10.621 1.00 0.28 H new ATOM 0 HG13 VAL A 76 7.616 -12.546 12.270 1.00 0.28 H new ATOM 0 HG21 VAL A 76 10.474 -13.325 13.113 1.00 0.43 H new ATOM 0 HG22 VAL A 76 9.018 -14.302 13.416 1.00 0.43 H new ATOM 0 HG23 VAL A 76 10.404 -15.013 12.556 1.00 0.43 H new ATOM 1141 N LYS A 77 9.948 -16.456 10.292 1.00 0.44 N ATOM 1142 CA LYS A 77 10.535 -17.821 10.445 1.00 0.48 C ATOM 1143 C LYS A 77 11.665 -17.834 11.476 1.00 0.46 C ATOM 1144 O LYS A 77 12.819 -17.660 11.145 1.00 0.46 O ATOM 1145 CB LYS A 77 11.082 -18.343 9.102 1.00 0.55 C ATOM 1146 CG LYS A 77 11.481 -17.199 8.164 1.00 0.42 C ATOM 1147 CD LYS A 77 10.405 -17.012 7.090 1.00 0.46 C ATOM 1148 CE LYS A 77 9.133 -16.449 7.728 1.00 2.32 C ATOM 1149 NZ LYS A 77 8.053 -16.367 6.704 1.00 2.13 N ATOM 0 H LYS A 77 10.407 -15.855 9.607 1.00 0.44 H new ATOM 0 HA LYS A 77 9.731 -18.471 10.789 1.00 0.48 H new ATOM 0 HB2 LYS A 77 11.947 -18.980 9.285 1.00 0.55 H new ATOM 0 HB3 LYS A 77 10.327 -18.962 8.618 1.00 0.55 H new ATOM 0 HG2 LYS A 77 11.606 -16.277 8.732 1.00 0.42 H new ATOM 0 HG3 LYS A 77 12.441 -17.417 7.696 1.00 0.42 H new ATOM 0 HD2 LYS A 77 10.765 -16.336 6.315 1.00 0.46 H new ATOM 0 HD3 LYS A 77 10.190 -17.965 6.607 1.00 0.46 H new ATOM 0 HE2 LYS A 77 8.817 -17.085 8.555 1.00 2.32 H new ATOM 0 HE3 LYS A 77 9.329 -15.461 8.144 1.00 2.32 H new ATOM 0 HZ1 LYS A 77 7.190 -15.984 7.140 1.00 2.13 H new ATOM 0 HZ2 LYS A 77 8.356 -15.743 5.929 1.00 2.13 H new ATOM 0 HZ3 LYS A 77 7.859 -17.317 6.327 1.00 2.13 H new ATOM 1163 N CYS A 78 11.353 -18.088 12.720 1.00 0.45 N ATOM 1164 CA CYS A 78 12.431 -18.164 13.745 1.00 0.44 C ATOM 1165 C CYS A 78 13.000 -19.589 13.696 1.00 0.55 C ATOM 1166 O CYS A 78 12.301 -20.501 13.301 1.00 0.60 O ATOM 1167 CB CYS A 78 11.861 -17.848 15.135 1.00 0.41 C ATOM 1168 SG CYS A 78 10.826 -19.214 15.718 1.00 0.53 S ATOM 0 H CYS A 78 10.407 -18.245 13.067 1.00 0.45 H new ATOM 0 HA CYS A 78 13.217 -17.436 13.544 1.00 0.44 H new ATOM 0 HB2 CYS A 78 12.676 -17.675 15.838 1.00 0.41 H new ATOM 0 HB3 CYS A 78 11.274 -16.930 15.094 1.00 0.41 H new ATOM 1173 N PRO A 79 14.258 -19.748 14.037 1.00 0.62 N ATOM 1174 CA PRO A 79 15.136 -18.662 14.521 1.00 0.59 C ATOM 1175 C PRO A 79 15.495 -17.663 13.430 1.00 0.55 C ATOM 1176 O PRO A 79 15.925 -18.023 12.351 1.00 0.60 O ATOM 1177 CB PRO A 79 16.401 -19.394 14.986 1.00 0.73 C ATOM 1178 CG PRO A 79 16.399 -20.762 14.282 1.00 0.86 C ATOM 1179 CD PRO A 79 14.933 -21.058 13.921 1.00 0.78 C ATOM 0 HA PRO A 79 14.646 -18.078 15.300 1.00 0.59 H new ATOM 0 HB2 PRO A 79 17.295 -18.826 14.727 1.00 0.73 H new ATOM 0 HB3 PRO A 79 16.403 -19.515 16.069 1.00 0.73 H new ATOM 0 HG2 PRO A 79 17.023 -20.741 13.389 1.00 0.86 H new ATOM 0 HG3 PRO A 79 16.803 -21.536 14.935 1.00 0.86 H new ATOM 0 HD2 PRO A 79 14.845 -21.463 12.913 1.00 0.78 H new ATOM 0 HD3 PRO A 79 14.497 -21.792 14.598 1.00 0.78 H new ATOM 1187 N LEU A 80 15.372 -16.403 13.730 1.00 0.48 N ATOM 1188 CA LEU A 80 15.760 -15.376 12.741 1.00 0.45 C ATOM 1189 C LEU A 80 17.275 -15.325 12.743 1.00 0.48 C ATOM 1190 O LEU A 80 17.897 -14.975 13.723 1.00 0.46 O ATOM 1191 CB LEU A 80 15.202 -14.021 13.143 1.00 0.38 C ATOM 1192 CG LEU A 80 13.736 -14.177 13.543 1.00 0.34 C ATOM 1193 CD1 LEU A 80 13.287 -12.935 14.307 1.00 0.25 C ATOM 1194 CD2 LEU A 80 12.892 -14.339 12.281 1.00 0.66 C ATOM 0 H LEU A 80 15.020 -16.044 14.617 1.00 0.48 H new ATOM 0 HA LEU A 80 15.369 -15.619 11.753 1.00 0.45 H new ATOM 0 HB2 LEU A 80 15.776 -13.611 13.974 1.00 0.38 H new ATOM 0 HB3 LEU A 80 15.292 -13.318 12.315 1.00 0.38 H new ATOM 0 HG LEU A 80 13.614 -15.054 14.179 1.00 0.34 H new ATOM 0 HD11 LEU A 80 12.241 -13.043 14.594 1.00 0.25 H new ATOM 0 HD12 LEU A 80 13.899 -12.817 15.202 1.00 0.25 H new ATOM 0 HD13 LEU A 80 13.400 -12.056 13.672 1.00 0.25 H new ATOM 0 HD21 LEU A 80 11.843 -14.451 12.556 1.00 0.66 H new ATOM 0 HD22 LEU A 80 13.009 -13.458 11.649 1.00 0.66 H new ATOM 0 HD23 LEU A 80 13.220 -15.223 11.735 1.00 0.66 H new ATOM 1206 N VAL A 81 17.873 -15.705 11.671 1.00 0.51 N ATOM 1207 CA VAL A 81 19.356 -15.720 11.627 1.00 0.53 C ATOM 1208 C VAL A 81 19.890 -14.312 11.388 1.00 0.41 C ATOM 1209 O VAL A 81 19.310 -13.525 10.668 1.00 0.55 O ATOM 1210 CB VAL A 81 19.823 -16.665 10.526 1.00 0.68 C ATOM 1211 CG1 VAL A 81 21.325 -16.483 10.302 1.00 0.74 C ATOM 1212 CG2 VAL A 81 19.535 -18.107 10.962 1.00 0.81 C ATOM 0 H VAL A 81 17.406 -16.008 10.816 1.00 0.51 H new ATOM 0 HA VAL A 81 19.742 -16.073 12.583 1.00 0.53 H new ATOM 0 HB VAL A 81 19.296 -16.448 9.597 1.00 0.68 H new ATOM 0 HG11 VAL A 81 21.660 -17.158 9.515 1.00 0.74 H new ATOM 0 HG12 VAL A 81 21.527 -15.453 10.007 1.00 0.74 H new ATOM 0 HG13 VAL A 81 21.860 -16.707 11.225 1.00 0.74 H new ATOM 0 HG21 VAL A 81 19.864 -18.795 10.183 1.00 0.81 H new ATOM 0 HG22 VAL A 81 20.071 -18.322 11.886 1.00 0.81 H new ATOM 0 HG23 VAL A 81 18.465 -18.230 11.127 1.00 0.81 H new ATOM 1222 N LYS A 82 20.991 -13.991 12.008 1.00 0.39 N ATOM 1223 CA LYS A 82 21.579 -12.640 11.853 1.00 0.38 C ATOM 1224 C LYS A 82 22.171 -12.484 10.463 1.00 0.28 C ATOM 1225 O LYS A 82 23.268 -12.923 10.181 1.00 0.47 O ATOM 1226 CB LYS A 82 22.665 -12.459 12.910 1.00 0.55 C ATOM 1227 CG LYS A 82 23.665 -11.415 12.442 1.00 0.62 C ATOM 1228 CD LYS A 82 24.511 -10.956 13.629 1.00 0.90 C ATOM 1229 CE LYS A 82 24.740 -12.135 14.578 1.00 0.87 C ATOM 1230 NZ LYS A 82 25.620 -11.704 15.699 1.00 1.15 N ATOM 0 H LYS A 82 21.511 -14.618 12.622 1.00 0.39 H new ATOM 0 HA LYS A 82 20.806 -11.882 11.982 1.00 0.38 H new ATOM 0 HB2 LYS A 82 22.218 -12.151 13.855 1.00 0.55 H new ATOM 0 HB3 LYS A 82 23.172 -13.407 13.091 1.00 0.55 H new ATOM 0 HG2 LYS A 82 24.305 -11.831 11.664 1.00 0.62 H new ATOM 0 HG3 LYS A 82 23.142 -10.565 12.003 1.00 0.62 H new ATOM 0 HD2 LYS A 82 25.467 -10.566 13.279 1.00 0.90 H new ATOM 0 HD3 LYS A 82 24.009 -10.144 14.155 1.00 0.90 H new ATOM 0 HE2 LYS A 82 23.787 -12.494 14.967 1.00 0.87 H new ATOM 0 HE3 LYS A 82 25.198 -12.965 14.040 1.00 0.87 H new ATOM 0 HZ1 LYS A 82 25.777 -12.504 16.345 1.00 1.15 H new ATOM 0 HZ2 LYS A 82 26.533 -11.382 15.319 1.00 1.15 H new ATOM 0 HZ3 LYS A 82 25.166 -10.925 16.217 1.00 1.15 H new ATOM 1244 N GLY A 83 21.445 -11.846 9.595 1.00 0.42 N ATOM 1245 CA GLY A 83 21.945 -11.636 8.218 1.00 0.35 C ATOM 1246 C GLY A 83 20.823 -11.911 7.217 1.00 0.31 C ATOM 1247 O GLY A 83 20.892 -11.519 6.069 1.00 0.42 O ATOM 0 H GLY A 83 20.520 -11.459 9.784 1.00 0.42 H new ATOM 0 HA2 GLY A 83 22.306 -10.614 8.103 1.00 0.35 H new ATOM 0 HA3 GLY A 83 22.790 -12.296 8.023 1.00 0.35 H new ATOM 1251 N GLN A 84 19.781 -12.564 7.651 1.00 0.26 N ATOM 1252 CA GLN A 84 18.644 -12.843 6.733 1.00 0.29 C ATOM 1253 C GLN A 84 17.581 -11.790 6.977 1.00 0.27 C ATOM 1254 O GLN A 84 17.509 -11.215 8.040 1.00 0.24 O ATOM 1255 CB GLN A 84 18.063 -14.234 7.028 1.00 0.37 C ATOM 1256 CG GLN A 84 16.626 -14.336 6.492 1.00 0.45 C ATOM 1257 CD GLN A 84 16.652 -14.307 4.962 1.00 0.53 C ATOM 1258 OE1 GLN A 84 17.702 -14.416 4.360 1.00 0.24 O ATOM 1259 NE2 GLN A 84 15.536 -14.156 4.305 1.00 1.19 N ATOM 0 H GLN A 84 19.669 -12.916 8.602 1.00 0.26 H new ATOM 0 HA GLN A 84 18.981 -12.818 5.697 1.00 0.29 H new ATOM 0 HB2 GLN A 84 18.686 -15.001 6.567 1.00 0.37 H new ATOM 0 HB3 GLN A 84 18.072 -14.419 8.102 1.00 0.37 H new ATOM 0 HG2 GLN A 84 16.160 -15.257 6.842 1.00 0.45 H new ATOM 0 HG3 GLN A 84 16.025 -13.510 6.872 1.00 0.45 H new ATOM 0 HE21 GLN A 84 14.655 -14.065 4.811 1.00 1.19 H new ATOM 0 HE22 GLN A 84 15.544 -14.129 3.285 1.00 1.19 H new ATOM 1268 N GLN A 85 16.745 -11.533 6.024 1.00 0.33 N ATOM 1269 CA GLN A 85 15.688 -10.524 6.244 1.00 0.33 C ATOM 1270 C GLN A 85 14.360 -11.256 6.398 1.00 0.36 C ATOM 1271 O GLN A 85 14.119 -12.263 5.761 1.00 0.51 O ATOM 1272 CB GLN A 85 15.630 -9.560 5.065 1.00 0.39 C ATOM 1273 CG GLN A 85 14.174 -9.309 4.714 1.00 0.49 C ATOM 1274 CD GLN A 85 14.083 -8.187 3.678 1.00 0.71 C ATOM 1275 OE1 GLN A 85 13.816 -7.051 4.016 1.00 0.93 O ATOM 1276 NE2 GLN A 85 14.296 -8.460 2.421 1.00 0.83 N ATOM 0 H GLN A 85 16.747 -11.976 5.105 1.00 0.33 H new ATOM 0 HA GLN A 85 15.900 -9.944 7.142 1.00 0.33 H new ATOM 0 HB2 GLN A 85 16.125 -8.622 5.319 1.00 0.39 H new ATOM 0 HB3 GLN A 85 16.159 -9.978 4.208 1.00 0.39 H new ATOM 0 HG2 GLN A 85 13.722 -10.219 4.320 1.00 0.49 H new ATOM 0 HG3 GLN A 85 13.615 -9.037 5.609 1.00 0.49 H new ATOM 0 HE21 GLN A 85 14.520 -9.414 2.137 1.00 0.83 H new ATOM 0 HE22 GLN A 85 14.238 -7.720 1.722 1.00 0.83 H new ATOM 1285 N TYR A 86 13.513 -10.780 7.260 1.00 0.23 N ATOM 1286 CA TYR A 86 12.219 -11.471 7.484 1.00 0.24 C ATOM 1287 C TYR A 86 11.054 -10.521 7.231 1.00 0.24 C ATOM 1288 O TYR A 86 11.154 -9.325 7.421 1.00 0.24 O ATOM 1289 CB TYR A 86 12.183 -11.968 8.926 1.00 0.22 C ATOM 1290 CG TYR A 86 13.173 -13.083 9.074 1.00 0.24 C ATOM 1291 CD1 TYR A 86 14.543 -12.822 8.992 1.00 0.27 C ATOM 1292 CD2 TYR A 86 12.716 -14.381 9.271 1.00 0.35 C ATOM 1293 CE1 TYR A 86 15.458 -13.869 9.114 1.00 0.39 C ATOM 1294 CE2 TYR A 86 13.626 -15.433 9.385 1.00 0.43 C ATOM 1295 CZ TYR A 86 15.001 -15.179 9.310 1.00 0.44 C ATOM 1296 OH TYR A 86 15.900 -16.220 9.420 1.00 0.57 O ATOM 0 H TYR A 86 13.661 -9.941 7.820 1.00 0.23 H new ATOM 0 HA TYR A 86 12.127 -12.309 6.794 1.00 0.24 H new ATOM 0 HB2 TYR A 86 12.423 -11.156 9.612 1.00 0.22 H new ATOM 0 HB3 TYR A 86 11.182 -12.315 9.181 1.00 0.22 H new ATOM 0 HD1 TYR A 86 14.893 -11.813 8.835 1.00 0.27 H new ATOM 0 HD2 TYR A 86 11.656 -14.576 9.336 1.00 0.35 H new ATOM 0 HE1 TYR A 86 16.518 -13.669 9.057 1.00 0.39 H new ATOM 0 HE2 TYR A 86 13.270 -16.442 9.531 1.00 0.43 H new ATOM 0 HH TYR A 86 15.413 -17.060 9.554 1.00 0.57 H new ATOM 1306 N ASP A 87 9.943 -11.054 6.813 1.00 0.24 N ATOM 1307 CA ASP A 87 8.755 -10.203 6.553 1.00 0.24 C ATOM 1308 C ASP A 87 7.651 -10.619 7.520 1.00 0.25 C ATOM 1309 O ASP A 87 7.149 -11.725 7.462 1.00 0.26 O ATOM 1310 CB ASP A 87 8.280 -10.414 5.113 1.00 0.21 C ATOM 1311 CG ASP A 87 8.014 -11.902 4.879 1.00 0.25 C ATOM 1312 OD1 ASP A 87 6.898 -12.330 5.123 1.00 0.31 O ATOM 1313 OD2 ASP A 87 8.933 -12.588 4.462 1.00 0.23 O ATOM 0 H ASP A 87 9.807 -12.050 6.639 1.00 0.24 H new ATOM 0 HA ASP A 87 9.005 -9.151 6.694 1.00 0.24 H new ATOM 0 HB2 ASP A 87 7.373 -9.838 4.929 1.00 0.21 H new ATOM 0 HB3 ASP A 87 9.034 -10.054 4.413 1.00 0.21 H new ATOM 1318 N ILE A 88 7.278 -9.759 8.424 1.00 0.24 N ATOM 1319 CA ILE A 88 6.223 -10.138 9.395 1.00 0.24 C ATOM 1320 C ILE A 88 4.907 -9.438 9.100 1.00 0.24 C ATOM 1321 O ILE A 88 4.792 -8.232 9.175 1.00 0.24 O ATOM 1322 CB ILE A 88 6.633 -9.754 10.810 1.00 0.21 C ATOM 1323 CG1 ILE A 88 5.435 -9.976 11.730 1.00 0.13 C ATOM 1324 CG2 ILE A 88 7.028 -8.275 10.867 1.00 0.27 C ATOM 1325 CD1 ILE A 88 5.916 -10.191 13.160 1.00 0.07 C ATOM 0 H ILE A 88 7.656 -8.818 8.531 1.00 0.24 H new ATOM 0 HA ILE A 88 6.095 -11.217 9.305 1.00 0.24 H new ATOM 0 HB ILE A 88 7.484 -10.361 11.120 1.00 0.21 H new ATOM 0 HG12 ILE A 88 4.767 -9.116 11.687 1.00 0.13 H new ATOM 0 HG13 ILE A 88 4.863 -10.841 11.395 1.00 0.13 H new ATOM 0 HG21 ILE A 88 7.319 -8.015 11.885 1.00 0.27 H new ATOM 0 HG22 ILE A 88 7.866 -8.096 10.193 1.00 0.27 H new ATOM 0 HG23 ILE A 88 6.181 -7.660 10.563 1.00 0.27 H new ATOM 0 HD11 ILE A 88 5.057 -10.349 13.813 1.00 0.07 H new ATOM 0 HD12 ILE A 88 6.566 -11.065 13.198 1.00 0.07 H new ATOM 0 HD13 ILE A 88 6.469 -9.313 13.494 1.00 0.07 H new ATOM 1337 N LYS A 89 3.896 -10.207 8.850 1.00 0.25 N ATOM 1338 CA LYS A 89 2.548 -9.627 8.642 1.00 0.25 C ATOM 1339 C LYS A 89 1.852 -9.785 9.985 1.00 0.28 C ATOM 1340 O LYS A 89 1.496 -10.878 10.379 1.00 0.30 O ATOM 1341 CB LYS A 89 1.794 -10.397 7.556 1.00 0.25 C ATOM 1342 CG LYS A 89 0.486 -9.674 7.230 1.00 0.40 C ATOM 1343 CD LYS A 89 -0.537 -10.683 6.701 1.00 0.68 C ATOM 1344 CE LYS A 89 -1.942 -10.265 7.135 1.00 1.44 C ATOM 1345 NZ LYS A 89 -2.570 -9.447 6.061 1.00 1.83 N ATOM 0 H LYS A 89 3.944 -11.223 8.780 1.00 0.25 H new ATOM 0 HA LYS A 89 2.591 -8.588 8.316 1.00 0.25 H new ATOM 0 HB2 LYS A 89 2.409 -10.479 6.660 1.00 0.25 H new ATOM 0 HB3 LYS A 89 1.586 -11.412 7.894 1.00 0.25 H new ATOM 0 HG2 LYS A 89 0.099 -9.181 8.122 1.00 0.40 H new ATOM 0 HG3 LYS A 89 0.663 -8.896 6.487 1.00 0.40 H new ATOM 0 HD2 LYS A 89 -0.482 -10.736 5.614 1.00 0.68 H new ATOM 0 HD3 LYS A 89 -0.310 -11.679 7.080 1.00 0.68 H new ATOM 0 HE2 LYS A 89 -2.549 -11.147 7.337 1.00 1.44 H new ATOM 0 HE3 LYS A 89 -1.893 -9.693 8.061 1.00 1.44 H new ATOM 0 HZ1 LYS A 89 -3.526 -9.162 6.356 1.00 1.83 H new ATOM 0 HZ2 LYS A 89 -1.994 -8.599 5.889 1.00 1.83 H new ATOM 0 HZ3 LYS A 89 -2.630 -10.008 5.187 1.00 1.83 H new ATOM 1359 N TYR A 90 1.719 -8.728 10.729 1.00 0.32 N ATOM 1360 CA TYR A 90 1.125 -8.869 12.081 1.00 0.35 C ATOM 1361 C TYR A 90 -0.153 -8.056 12.230 1.00 0.30 C ATOM 1362 O TYR A 90 -0.221 -6.906 11.846 1.00 0.32 O ATOM 1363 CB TYR A 90 2.135 -8.375 13.118 1.00 0.45 C ATOM 1364 CG TYR A 90 1.506 -8.504 14.467 1.00 0.44 C ATOM 1365 CD1 TYR A 90 0.873 -9.697 14.798 1.00 0.45 C ATOM 1366 CD2 TYR A 90 1.524 -7.435 15.369 1.00 0.46 C ATOM 1367 CE1 TYR A 90 0.245 -9.833 16.028 1.00 0.49 C ATOM 1368 CE2 TYR A 90 0.901 -7.572 16.612 1.00 0.47 C ATOM 1369 CZ TYR A 90 0.259 -8.774 16.941 1.00 0.49 C ATOM 1370 OH TYR A 90 -0.375 -8.908 18.155 1.00 0.54 O ATOM 0 H TYR A 90 1.993 -7.782 10.463 1.00 0.32 H new ATOM 0 HA TYR A 90 0.881 -9.921 12.231 1.00 0.35 H new ATOM 0 HB2 TYR A 90 3.052 -8.961 13.067 1.00 0.45 H new ATOM 0 HB3 TYR A 90 2.408 -7.338 12.921 1.00 0.45 H new ATOM 0 HD1 TYR A 90 0.870 -10.519 14.097 1.00 0.45 H new ATOM 0 HD2 TYR A 90 2.016 -6.510 15.106 1.00 0.46 H new ATOM 0 HE1 TYR A 90 -0.255 -10.757 16.280 1.00 0.49 H new ATOM 0 HE2 TYR A 90 0.914 -6.754 17.317 1.00 0.47 H new ATOM 0 HH TYR A 90 -0.485 -9.859 18.363 1.00 0.54 H new ATOM 1380 N THR A 91 -1.155 -8.631 12.841 1.00 0.27 N ATOM 1381 CA THR A 91 -2.397 -7.860 13.067 1.00 0.26 C ATOM 1382 C THR A 91 -2.294 -7.266 14.468 1.00 0.20 C ATOM 1383 O THR A 91 -2.548 -7.915 15.463 1.00 0.21 O ATOM 1384 CB THR A 91 -3.618 -8.779 12.973 1.00 0.24 C ATOM 1385 OG1 THR A 91 -3.193 -10.134 12.959 1.00 0.28 O ATOM 1386 CG2 THR A 91 -4.393 -8.467 11.692 1.00 0.43 C ATOM 0 H THR A 91 -1.162 -9.590 13.187 1.00 0.27 H new ATOM 0 HA THR A 91 -2.514 -7.079 12.316 1.00 0.26 H new ATOM 0 HB THR A 91 -4.265 -8.615 13.835 1.00 0.24 H new ATOM 0 HG1 THR A 91 -3.975 -10.722 12.901 1.00 0.28 H new ATOM 0 HG21 THR A 91 -5.262 -9.121 11.624 1.00 0.43 H new ATOM 0 HG22 THR A 91 -4.721 -7.428 11.709 1.00 0.43 H new ATOM 0 HG23 THR A 91 -3.749 -8.630 10.828 1.00 0.43 H new ATOM 1394 N TRP A 92 -1.897 -6.033 14.531 1.00 0.31 N ATOM 1395 CA TRP A 92 -1.724 -5.330 15.831 1.00 0.34 C ATOM 1396 C TRP A 92 -3.088 -5.028 16.440 1.00 0.42 C ATOM 1397 O TRP A 92 -3.730 -4.051 16.104 1.00 0.42 O ATOM 1398 CB TRP A 92 -0.970 -4.040 15.524 1.00 0.29 C ATOM 1399 CG TRP A 92 -0.705 -3.226 16.739 1.00 0.29 C ATOM 1400 CD1 TRP A 92 0.048 -3.611 17.789 1.00 0.38 C ATOM 1401 CD2 TRP A 92 -1.136 -1.865 17.017 1.00 0.26 C ATOM 1402 NE1 TRP A 92 0.110 -2.570 18.695 1.00 0.37 N ATOM 1403 CE2 TRP A 92 -0.605 -1.474 18.262 1.00 0.28 C ATOM 1404 CE3 TRP A 92 -1.933 -0.940 16.319 1.00 0.30 C ATOM 1405 CZ2 TRP A 92 -0.843 -0.211 18.788 1.00 0.25 C ATOM 1406 CZ3 TRP A 92 -2.178 0.333 16.862 1.00 0.34 C ATOM 1407 CH2 TRP A 92 -1.630 0.694 18.090 1.00 0.28 C ATOM 0 H TRP A 92 -1.678 -5.464 13.713 1.00 0.31 H new ATOM 0 HA TRP A 92 -1.174 -5.938 16.549 1.00 0.34 H new ATOM 0 HB2 TRP A 92 -0.023 -4.284 15.042 1.00 0.29 H new ATOM 0 HB3 TRP A 92 -1.547 -3.448 14.814 1.00 0.29 H new ATOM 0 HD1 TRP A 92 0.524 -4.574 17.903 1.00 0.38 H new ATOM 0 HE1 TRP A 92 0.622 -2.608 19.576 1.00 0.37 H new ATOM 0 HE3 TRP A 92 -2.358 -1.209 15.363 1.00 0.30 H new ATOM 0 HZ2 TRP A 92 -0.416 0.067 19.740 1.00 0.25 H new ATOM 0 HZ3 TRP A 92 -2.796 1.036 16.323 1.00 0.34 H new ATOM 0 HH2 TRP A 92 -1.817 1.676 18.498 1.00 0.28 H new ATOM 1418 N ASN A 93 -3.539 -5.861 17.334 1.00 0.53 N ATOM 1419 CA ASN A 93 -4.860 -5.618 17.959 1.00 0.63 C ATOM 1420 C ASN A 93 -4.815 -4.282 18.698 1.00 0.63 C ATOM 1421 O ASN A 93 -4.228 -4.163 19.755 1.00 0.63 O ATOM 1422 CB ASN A 93 -5.170 -6.742 18.948 1.00 0.75 C ATOM 1423 CG ASN A 93 -6.635 -7.153 18.804 1.00 0.85 C ATOM 1424 OD1 ASN A 93 -6.932 -8.249 18.373 1.00 2.21 O ATOM 1425 ND2 ASN A 93 -7.571 -6.311 19.148 1.00 1.29 N ATOM 0 H ASN A 93 -3.050 -6.696 17.656 1.00 0.53 H new ATOM 0 HA ASN A 93 -5.636 -5.592 17.194 1.00 0.63 H new ATOM 0 HB2 ASN A 93 -4.521 -7.597 18.760 1.00 0.75 H new ATOM 0 HB3 ASN A 93 -4.972 -6.410 19.967 1.00 0.75 H new ATOM 0 HD21 ASN A 93 -8.552 -6.573 19.055 1.00 1.29 H new ATOM 0 HD22 ASN A 93 -7.321 -5.391 19.510 1.00 1.29 H new ATOM 1432 N VAL A 94 -5.428 -3.275 18.144 1.00 0.62 N ATOM 1433 CA VAL A 94 -5.426 -1.943 18.803 1.00 0.60 C ATOM 1434 C VAL A 94 -6.200 -2.033 20.119 1.00 0.61 C ATOM 1435 O VAL A 94 -7.196 -2.724 20.201 1.00 0.66 O ATOM 1436 CB VAL A 94 -6.106 -0.931 17.873 1.00 0.58 C ATOM 1437 CG1 VAL A 94 -6.123 0.451 18.527 1.00 0.53 C ATOM 1438 CG2 VAL A 94 -5.333 -0.859 16.555 1.00 0.69 C ATOM 0 H VAL A 94 -5.933 -3.319 17.259 1.00 0.62 H new ATOM 0 HA VAL A 94 -4.403 -1.626 19.007 1.00 0.60 H new ATOM 0 HB VAL A 94 -7.131 -1.249 17.684 1.00 0.58 H new ATOM 0 HG11 VAL A 94 -6.608 1.163 17.860 1.00 0.53 H new ATOM 0 HG12 VAL A 94 -6.673 0.402 19.467 1.00 0.53 H new ATOM 0 HG13 VAL A 94 -5.100 0.774 18.722 1.00 0.53 H new ATOM 0 HG21 VAL A 94 -5.813 -0.141 15.890 1.00 0.69 H new ATOM 0 HG22 VAL A 94 -4.308 -0.544 16.751 1.00 0.69 H new ATOM 0 HG23 VAL A 94 -5.326 -1.841 16.083 1.00 0.69 H new ATOM 1448 N PRO A 95 -5.728 -1.322 21.111 1.00 0.56 N ATOM 1449 CA PRO A 95 -6.373 -1.297 22.431 1.00 0.56 C ATOM 1450 C PRO A 95 -7.672 -0.497 22.355 1.00 0.48 C ATOM 1451 O PRO A 95 -7.706 0.610 21.858 1.00 0.52 O ATOM 1452 CB PRO A 95 -5.336 -0.628 23.336 1.00 0.52 C ATOM 1453 CG PRO A 95 -4.396 0.169 22.405 1.00 0.47 C ATOM 1454 CD PRO A 95 -4.520 -0.476 21.009 1.00 0.51 C ATOM 0 HA PRO A 95 -6.651 -2.283 22.804 1.00 0.56 H new ATOM 0 HB2 PRO A 95 -5.818 0.031 24.058 1.00 0.52 H new ATOM 0 HB3 PRO A 95 -4.779 -1.372 23.906 1.00 0.52 H new ATOM 0 HG2 PRO A 95 -4.680 1.221 22.374 1.00 0.47 H new ATOM 0 HG3 PRO A 95 -3.367 0.127 22.763 1.00 0.47 H new ATOM 0 HD2 PRO A 95 -4.626 0.278 20.229 1.00 0.51 H new ATOM 0 HD3 PRO A 95 -3.638 -1.068 20.763 1.00 0.51 H new ATOM 1462 N LYS A 96 -8.743 -1.063 22.833 1.00 0.43 N ATOM 1463 CA LYS A 96 -10.054 -0.358 22.776 1.00 0.44 C ATOM 1464 C LYS A 96 -10.036 0.870 23.699 1.00 0.29 C ATOM 1465 O LYS A 96 -11.005 1.598 23.783 1.00 0.34 O ATOM 1466 CB LYS A 96 -11.164 -1.318 23.215 1.00 0.56 C ATOM 1467 CG LYS A 96 -10.884 -2.723 22.670 1.00 0.77 C ATOM 1468 CD LYS A 96 -12.005 -3.136 21.730 1.00 0.99 C ATOM 1469 CE LYS A 96 -13.129 -3.795 22.530 1.00 1.82 C ATOM 1470 NZ LYS A 96 -13.074 -5.272 22.341 1.00 2.69 N ATOM 0 H LYS A 96 -8.768 -1.988 23.263 1.00 0.43 H new ATOM 0 HA LYS A 96 -10.239 -0.026 21.754 1.00 0.44 H new ATOM 0 HB2 LYS A 96 -11.224 -1.346 24.303 1.00 0.56 H new ATOM 0 HB3 LYS A 96 -12.128 -0.963 22.852 1.00 0.56 H new ATOM 0 HG2 LYS A 96 -9.930 -2.737 22.143 1.00 0.77 H new ATOM 0 HG3 LYS A 96 -10.804 -3.434 23.492 1.00 0.77 H new ATOM 0 HD2 LYS A 96 -12.386 -2.265 21.198 1.00 0.99 H new ATOM 0 HD3 LYS A 96 -11.626 -3.828 20.978 1.00 0.99 H new ATOM 0 HE2 LYS A 96 -13.030 -3.549 23.587 1.00 1.82 H new ATOM 0 HE3 LYS A 96 -14.096 -3.412 22.203 1.00 1.82 H new ATOM 0 HZ1 LYS A 96 -13.839 -5.720 22.885 1.00 2.69 H new ATOM 0 HZ2 LYS A 96 -13.189 -5.497 21.332 1.00 2.69 H new ATOM 0 HZ3 LYS A 96 -12.156 -5.631 22.674 1.00 2.69 H new ATOM 1484 N ILE A 97 -8.951 1.112 24.395 1.00 0.21 N ATOM 1485 CA ILE A 97 -8.900 2.290 25.303 1.00 0.15 C ATOM 1486 C ILE A 97 -8.369 3.508 24.552 1.00 0.18 C ATOM 1487 O ILE A 97 -8.669 4.633 24.897 1.00 0.28 O ATOM 1488 CB ILE A 97 -7.952 1.985 26.458 1.00 0.23 C ATOM 1489 CG1 ILE A 97 -6.497 2.130 25.990 1.00 0.31 C ATOM 1490 CG2 ILE A 97 -8.188 0.557 26.955 1.00 0.27 C ATOM 1491 CD1 ILE A 97 -5.565 2.030 27.198 1.00 0.57 C ATOM 0 H ILE A 97 -8.104 0.544 24.371 1.00 0.21 H new ATOM 0 HA ILE A 97 -9.904 2.498 25.673 1.00 0.15 H new ATOM 0 HB ILE A 97 -8.141 2.688 27.269 1.00 0.23 H new ATOM 0 HG12 ILE A 97 -6.257 1.352 25.266 1.00 0.31 H new ATOM 0 HG13 ILE A 97 -6.358 3.087 25.487 1.00 0.31 H new ATOM 0 HG21 ILE A 97 -7.509 0.342 27.780 1.00 0.27 H new ATOM 0 HG22 ILE A 97 -9.218 0.456 27.297 1.00 0.27 H new ATOM 0 HG23 ILE A 97 -8.005 -0.146 26.142 1.00 0.27 H new ATOM 0 HD11 ILE A 97 -4.531 2.133 26.869 1.00 0.57 H new ATOM 0 HD12 ILE A 97 -5.801 2.824 27.906 1.00 0.57 H new ATOM 0 HD13 ILE A 97 -5.698 1.062 27.681 1.00 0.57 H new ATOM 1503 N ALA A 98 -7.568 3.281 23.547 1.00 0.14 N ATOM 1504 CA ALA A 98 -6.984 4.410 22.763 1.00 0.14 C ATOM 1505 C ALA A 98 -8.004 5.552 22.676 1.00 0.17 C ATOM 1506 O ALA A 98 -9.086 5.375 22.154 1.00 0.23 O ATOM 1507 CB ALA A 98 -6.644 3.935 21.353 1.00 0.19 C ATOM 0 H ALA A 98 -7.290 2.352 23.231 1.00 0.14 H new ATOM 0 HA ALA A 98 -6.078 4.761 23.258 1.00 0.14 H new ATOM 0 HB1 ALA A 98 -6.218 4.761 20.784 1.00 0.19 H new ATOM 0 HB2 ALA A 98 -5.921 3.121 21.408 1.00 0.19 H new ATOM 0 HB3 ALA A 98 -7.550 3.583 20.859 1.00 0.19 H new ATOM 1513 N PRO A 99 -7.633 6.684 23.207 1.00 0.18 N ATOM 1514 CA PRO A 99 -8.494 7.874 23.229 1.00 0.23 C ATOM 1515 C PRO A 99 -8.345 8.641 21.918 1.00 0.30 C ATOM 1516 O PRO A 99 -7.255 8.770 21.405 1.00 0.32 O ATOM 1517 CB PRO A 99 -7.925 8.693 24.393 1.00 0.25 C ATOM 1518 CG PRO A 99 -6.459 8.224 24.584 1.00 0.24 C ATOM 1519 CD PRO A 99 -6.317 6.884 23.837 1.00 0.18 C ATOM 0 HA PRO A 99 -9.554 7.646 23.344 1.00 0.23 H new ATOM 0 HB2 PRO A 99 -7.966 9.760 24.173 1.00 0.25 H new ATOM 0 HB3 PRO A 99 -8.506 8.532 25.301 1.00 0.25 H new ATOM 0 HG2 PRO A 99 -5.762 8.963 24.188 1.00 0.24 H new ATOM 0 HG3 PRO A 99 -6.227 8.103 25.642 1.00 0.24 H new ATOM 0 HD2 PRO A 99 -5.521 6.924 23.094 1.00 0.18 H new ATOM 0 HD3 PRO A 99 -6.074 6.070 24.520 1.00 0.18 H new ATOM 1527 N LYS A 100 -9.418 9.159 21.374 1.00 0.34 N ATOM 1528 CA LYS A 100 -9.297 9.926 20.101 1.00 0.40 C ATOM 1529 C LYS A 100 -8.227 10.998 20.296 1.00 0.41 C ATOM 1530 O LYS A 100 -8.507 12.101 20.722 1.00 0.48 O ATOM 1531 CB LYS A 100 -10.636 10.585 19.752 1.00 0.50 C ATOM 1532 CG LYS A 100 -11.656 9.505 19.369 1.00 0.73 C ATOM 1533 CD LYS A 100 -12.646 10.059 18.338 1.00 0.48 C ATOM 1534 CE LYS A 100 -12.763 11.575 18.496 1.00 0.21 C ATOM 1535 NZ LYS A 100 -14.048 12.039 17.901 1.00 0.30 N ATOM 0 H LYS A 100 -10.362 9.084 21.753 1.00 0.34 H new ATOM 0 HA LYS A 100 -9.022 9.258 19.285 1.00 0.40 H new ATOM 0 HB2 LYS A 100 -11.002 11.160 20.602 1.00 0.50 H new ATOM 0 HB3 LYS A 100 -10.504 11.285 18.927 1.00 0.50 H new ATOM 0 HG2 LYS A 100 -11.141 8.636 18.960 1.00 0.73 H new ATOM 0 HG3 LYS A 100 -12.193 9.169 20.256 1.00 0.73 H new ATOM 0 HD2 LYS A 100 -12.311 9.814 17.330 1.00 0.48 H new ATOM 0 HD3 LYS A 100 -13.623 9.594 18.471 1.00 0.48 H new ATOM 0 HE2 LYS A 100 -12.720 11.846 19.551 1.00 0.21 H new ATOM 0 HE3 LYS A 100 -11.924 12.068 18.006 1.00 0.21 H new ATOM 0 HZ1 LYS A 100 -14.128 13.070 18.008 1.00 0.30 H new ATOM 0 HZ2 LYS A 100 -14.072 11.793 16.891 1.00 0.30 H new ATOM 0 HZ3 LYS A 100 -14.843 11.578 18.388 1.00 0.30 H new ATOM 1549 N SER A 101 -7.000 10.674 20.004 1.00 0.33 N ATOM 1550 CA SER A 101 -5.900 11.656 20.190 1.00 0.34 C ATOM 1551 C SER A 101 -5.663 12.397 18.877 1.00 0.37 C ATOM 1552 O SER A 101 -5.393 11.793 17.858 1.00 0.37 O ATOM 1553 CB SER A 101 -4.630 10.908 20.608 1.00 0.30 C ATOM 1554 OG SER A 101 -3.753 11.805 21.278 1.00 0.36 O ATOM 0 H SER A 101 -6.711 9.765 19.642 1.00 0.33 H new ATOM 0 HA SER A 101 -6.165 12.376 20.964 1.00 0.34 H new ATOM 0 HB2 SER A 101 -4.884 10.074 21.262 1.00 0.30 H new ATOM 0 HB3 SER A 101 -4.137 10.487 19.732 1.00 0.30 H new ATOM 0 HG SER A 101 -3.167 12.240 20.624 1.00 0.36 H new ATOM 1560 N GLU A 102 -5.767 13.700 18.892 1.00 0.40 N ATOM 1561 CA GLU A 102 -5.551 14.484 17.644 1.00 0.42 C ATOM 1562 C GLU A 102 -4.359 13.908 16.881 1.00 0.40 C ATOM 1563 O GLU A 102 -4.405 13.734 15.683 1.00 0.38 O ATOM 1564 CB GLU A 102 -5.271 15.946 17.999 1.00 0.45 C ATOM 1565 CG GLU A 102 -4.201 16.012 19.088 1.00 0.69 C ATOM 1566 CD GLU A 102 -3.993 17.467 19.513 1.00 0.67 C ATOM 1567 OE1 GLU A 102 -4.835 17.980 20.231 1.00 1.07 O ATOM 1568 OE2 GLU A 102 -2.994 18.043 19.115 1.00 0.53 O ATOM 0 H GLU A 102 -5.993 14.255 19.718 1.00 0.40 H new ATOM 0 HA GLU A 102 -6.444 14.427 17.021 1.00 0.42 H new ATOM 0 HB2 GLU A 102 -4.938 16.488 17.114 1.00 0.45 H new ATOM 0 HB3 GLU A 102 -6.185 16.429 18.344 1.00 0.45 H new ATOM 0 HG2 GLU A 102 -4.503 15.411 19.946 1.00 0.69 H new ATOM 0 HG3 GLU A 102 -3.265 15.593 18.719 1.00 0.69 H new ATOM 1575 N ASN A 103 -3.294 13.613 17.572 1.00 0.41 N ATOM 1576 CA ASN A 103 -2.096 13.046 16.895 1.00 0.37 C ATOM 1577 C ASN A 103 -1.596 11.825 17.668 1.00 0.39 C ATOM 1578 O ASN A 103 -1.582 11.814 18.882 1.00 0.52 O ATOM 1579 CB ASN A 103 -0.991 14.102 16.853 1.00 0.34 C ATOM 1580 CG ASN A 103 0.059 13.704 15.814 1.00 0.67 C ATOM 1581 OD1 ASN A 103 -0.185 13.784 14.626 1.00 1.33 O ATOM 1582 ND2 ASN A 103 1.225 13.276 16.212 1.00 1.14 N ATOM 0 H ASN A 103 -3.202 13.741 18.580 1.00 0.41 H new ATOM 0 HA ASN A 103 -2.362 12.749 15.881 1.00 0.37 H new ATOM 0 HB2 ASN A 103 -1.413 15.075 16.604 1.00 0.34 H new ATOM 0 HB3 ASN A 103 -0.528 14.198 17.835 1.00 0.34 H new ATOM 0 HD21 ASN A 103 1.931 13.009 15.526 1.00 1.14 H new ATOM 0 HD22 ASN A 103 1.430 13.209 17.209 1.00 1.14 H new ATOM 1589 N VAL A 104 -1.175 10.804 16.976 1.00 0.28 N ATOM 1590 CA VAL A 104 -0.666 9.589 17.666 1.00 0.27 C ATOM 1591 C VAL A 104 0.681 9.194 17.060 1.00 0.13 C ATOM 1592 O VAL A 104 0.898 9.317 15.872 1.00 0.09 O ATOM 1593 CB VAL A 104 -1.660 8.444 17.484 1.00 0.38 C ATOM 1594 CG1 VAL A 104 -0.908 7.179 17.063 1.00 0.84 C ATOM 1595 CG2 VAL A 104 -2.386 8.190 18.806 1.00 0.58 C ATOM 0 H VAL A 104 -1.162 10.760 15.957 1.00 0.28 H new ATOM 0 HA VAL A 104 -0.544 9.796 18.729 1.00 0.27 H new ATOM 0 HB VAL A 104 -2.385 8.708 16.714 1.00 0.38 H new ATOM 0 HG11 VAL A 104 -1.616 6.361 16.933 1.00 0.84 H new ATOM 0 HG12 VAL A 104 -0.387 7.361 16.123 1.00 0.84 H new ATOM 0 HG13 VAL A 104 -0.184 6.913 17.833 1.00 0.84 H new ATOM 0 HG21 VAL A 104 -3.097 7.373 18.680 1.00 0.58 H new ATOM 0 HG22 VAL A 104 -1.660 7.924 19.574 1.00 0.58 H new ATOM 0 HG23 VAL A 104 -2.919 9.092 19.107 1.00 0.58 H new ATOM 1605 N VAL A 105 1.583 8.707 17.863 1.00 0.22 N ATOM 1606 CA VAL A 105 2.906 8.290 17.324 1.00 0.32 C ATOM 1607 C VAL A 105 3.081 6.800 17.591 1.00 0.30 C ATOM 1608 O VAL A 105 3.079 6.365 18.720 1.00 0.26 O ATOM 1609 CB VAL A 105 4.020 9.069 18.028 1.00 0.44 C ATOM 1610 CG1 VAL A 105 5.297 8.998 17.190 1.00 0.87 C ATOM 1611 CG2 VAL A 105 3.597 10.530 18.194 1.00 1.04 C ATOM 0 H VAL A 105 1.462 8.580 18.868 1.00 0.22 H new ATOM 0 HA VAL A 105 2.956 8.492 16.254 1.00 0.32 H new ATOM 0 HB VAL A 105 4.204 8.633 19.010 1.00 0.44 H new ATOM 0 HG11 VAL A 105 6.091 9.552 17.690 1.00 0.87 H new ATOM 0 HG12 VAL A 105 5.598 7.957 17.074 1.00 0.87 H new ATOM 0 HG13 VAL A 105 5.113 9.434 16.208 1.00 0.87 H new ATOM 0 HG21 VAL A 105 4.391 11.084 18.695 1.00 1.04 H new ATOM 0 HG22 VAL A 105 3.412 10.969 17.214 1.00 1.04 H new ATOM 0 HG23 VAL A 105 2.687 10.580 18.792 1.00 1.04 H new ATOM 1621 N VAL A 106 3.219 6.005 16.574 1.00 0.38 N ATOM 1622 CA VAL A 106 3.365 4.547 16.814 1.00 0.39 C ATOM 1623 C VAL A 106 4.819 4.110 16.615 1.00 0.39 C ATOM 1624 O VAL A 106 5.505 4.567 15.724 1.00 0.40 O ATOM 1625 CB VAL A 106 2.456 3.783 15.853 1.00 0.37 C ATOM 1626 CG1 VAL A 106 2.095 2.426 16.462 1.00 0.40 C ATOM 1627 CG2 VAL A 106 1.180 4.594 15.622 1.00 0.44 C ATOM 0 H VAL A 106 3.237 6.296 15.597 1.00 0.38 H new ATOM 0 HA VAL A 106 3.079 4.328 17.843 1.00 0.39 H new ATOM 0 HB VAL A 106 2.970 3.627 14.905 1.00 0.37 H new ATOM 0 HG11 VAL A 106 1.446 1.881 15.777 1.00 0.40 H new ATOM 0 HG12 VAL A 106 3.005 1.851 16.635 1.00 0.40 H new ATOM 0 HG13 VAL A 106 1.576 2.578 17.408 1.00 0.40 H new ATOM 0 HG21 VAL A 106 0.526 4.055 14.937 1.00 0.44 H new ATOM 0 HG22 VAL A 106 0.667 4.743 16.572 1.00 0.44 H new ATOM 0 HG23 VAL A 106 1.437 5.562 15.192 1.00 0.44 H new ATOM 1637 N THR A 107 5.281 3.224 17.452 1.00 0.37 N ATOM 1638 CA THR A 107 6.683 2.732 17.346 1.00 0.34 C ATOM 1639 C THR A 107 6.666 1.220 17.173 1.00 0.30 C ATOM 1640 O THR A 107 6.084 0.518 17.961 1.00 0.35 O ATOM 1641 CB THR A 107 7.428 3.044 18.643 1.00 0.35 C ATOM 1642 OG1 THR A 107 7.416 4.446 18.870 1.00 0.50 O ATOM 1643 CG2 THR A 107 8.874 2.547 18.534 1.00 0.24 C ATOM 0 H THR A 107 4.740 2.815 18.214 1.00 0.37 H new ATOM 0 HA THR A 107 7.171 3.214 16.499 1.00 0.34 H new ATOM 0 HB THR A 107 6.938 2.541 19.476 1.00 0.35 H new ATOM 0 HG1 THR A 107 7.892 4.647 19.703 1.00 0.50 H new ATOM 0 HG21 THR A 107 9.406 2.769 19.459 1.00 0.24 H new ATOM 0 HG22 THR A 107 8.877 1.470 18.364 1.00 0.24 H new ATOM 0 HG23 THR A 107 9.369 3.047 17.702 1.00 0.24 H new ATOM 1651 N VAL A 108 7.313 0.705 16.176 1.00 0.35 N ATOM 1652 CA VAL A 108 7.331 -0.774 16.006 1.00 0.29 C ATOM 1653 C VAL A 108 8.704 -1.278 16.440 1.00 0.22 C ATOM 1654 O VAL A 108 9.710 -0.718 16.074 1.00 0.28 O ATOM 1655 CB VAL A 108 7.090 -1.120 14.539 1.00 0.29 C ATOM 1656 CG1 VAL A 108 8.367 -1.707 13.933 1.00 0.39 C ATOM 1657 CG2 VAL A 108 5.954 -2.142 14.441 1.00 0.31 C ATOM 0 H VAL A 108 7.828 1.235 15.473 1.00 0.35 H new ATOM 0 HA VAL A 108 6.551 -1.240 16.607 1.00 0.29 H new ATOM 0 HB VAL A 108 6.816 -0.218 13.991 1.00 0.29 H new ATOM 0 HG11 VAL A 108 8.193 -1.953 12.886 1.00 0.39 H new ATOM 0 HG12 VAL A 108 9.173 -0.977 14.005 1.00 0.39 H new ATOM 0 HG13 VAL A 108 8.646 -2.610 14.476 1.00 0.39 H new ATOM 0 HG21 VAL A 108 5.779 -2.392 13.395 1.00 0.31 H new ATOM 0 HG22 VAL A 108 6.228 -3.044 14.988 1.00 0.31 H new ATOM 0 HG23 VAL A 108 5.046 -1.719 14.870 1.00 0.31 H new ATOM 1667 N LYS A 109 8.774 -2.304 17.234 1.00 0.12 N ATOM 1668 CA LYS A 109 10.117 -2.761 17.677 1.00 0.09 C ATOM 1669 C LYS A 109 10.205 -4.286 17.741 1.00 0.06 C ATOM 1670 O LYS A 109 9.412 -4.943 18.374 1.00 0.05 O ATOM 1671 CB LYS A 109 10.390 -2.180 19.064 1.00 0.10 C ATOM 1672 CG LYS A 109 11.821 -2.512 19.474 1.00 0.77 C ATOM 1673 CD LYS A 109 11.899 -2.676 20.991 1.00 0.76 C ATOM 1674 CE LYS A 109 12.606 -1.465 21.597 1.00 1.24 C ATOM 1675 NZ LYS A 109 12.035 -0.215 21.019 1.00 0.75 N ATOM 0 H LYS A 109 7.980 -2.837 17.590 1.00 0.12 H new ATOM 0 HA LYS A 109 10.857 -2.417 16.955 1.00 0.09 H new ATOM 0 HB2 LYS A 109 10.243 -1.100 19.054 1.00 0.10 H new ATOM 0 HB3 LYS A 109 9.687 -2.591 19.788 1.00 0.10 H new ATOM 0 HG2 LYS A 109 12.147 -3.429 18.983 1.00 0.77 H new ATOM 0 HG3 LYS A 109 12.495 -1.720 19.149 1.00 0.77 H new ATOM 0 HD2 LYS A 109 10.897 -2.773 21.409 1.00 0.76 H new ATOM 0 HD3 LYS A 109 12.439 -3.589 21.242 1.00 0.76 H new ATOM 0 HE2 LYS A 109 12.486 -1.465 22.680 1.00 1.24 H new ATOM 0 HE3 LYS A 109 13.676 -1.516 21.395 1.00 1.24 H new ATOM 0 HZ1 LYS A 109 12.192 0.575 21.677 1.00 0.75 H new ATOM 0 HZ2 LYS A 109 12.500 -0.008 20.112 1.00 0.75 H new ATOM 0 HZ3 LYS A 109 11.014 -0.339 20.865 1.00 0.75 H new ATOM 1689 N LEU A 110 11.203 -4.849 17.125 1.00 0.06 N ATOM 1690 CA LEU A 110 11.378 -6.323 17.188 1.00 0.05 C ATOM 1691 C LEU A 110 12.526 -6.599 18.155 1.00 0.07 C ATOM 1692 O LEU A 110 13.481 -5.853 18.209 1.00 0.03 O ATOM 1693 CB LEU A 110 11.715 -6.881 15.801 1.00 0.08 C ATOM 1694 CG LEU A 110 10.465 -6.863 14.914 1.00 0.10 C ATOM 1695 CD1 LEU A 110 10.697 -7.750 13.692 1.00 0.14 C ATOM 1696 CD2 LEU A 110 9.265 -7.394 15.703 1.00 0.10 C ATOM 0 H LEU A 110 11.906 -4.351 16.580 1.00 0.06 H new ATOM 0 HA LEU A 110 10.460 -6.804 17.525 1.00 0.05 H new ATOM 0 HB2 LEU A 110 12.506 -6.287 15.343 1.00 0.08 H new ATOM 0 HB3 LEU A 110 12.093 -7.899 15.891 1.00 0.08 H new ATOM 0 HG LEU A 110 10.265 -5.840 14.594 1.00 0.10 H new ATOM 0 HD11 LEU A 110 9.809 -7.738 13.060 1.00 0.14 H new ATOM 0 HD12 LEU A 110 11.550 -7.374 13.126 1.00 0.14 H new ATOM 0 HD13 LEU A 110 10.898 -8.771 14.016 1.00 0.14 H new ATOM 0 HD21 LEU A 110 8.378 -7.380 15.070 1.00 0.10 H new ATOM 0 HD22 LEU A 110 9.465 -8.416 16.025 1.00 0.10 H new ATOM 0 HD23 LEU A 110 9.097 -6.765 16.577 1.00 0.10 H new ATOM 1708 N ILE A 111 12.428 -7.629 18.947 1.00 0.13 N ATOM 1709 CA ILE A 111 13.497 -7.911 19.925 1.00 0.14 C ATOM 1710 C ILE A 111 13.832 -9.401 19.919 1.00 0.16 C ATOM 1711 O ILE A 111 12.990 -10.240 20.172 1.00 0.22 O ATOM 1712 CB ILE A 111 13.009 -7.524 21.315 1.00 0.16 C ATOM 1713 CG1 ILE A 111 12.824 -6.007 21.394 1.00 0.16 C ATOM 1714 CG2 ILE A 111 14.045 -7.968 22.331 1.00 0.21 C ATOM 1715 CD1 ILE A 111 11.417 -5.639 20.918 1.00 0.18 C ATOM 0 H ILE A 111 11.648 -8.286 18.954 1.00 0.13 H new ATOM 0 HA ILE A 111 14.386 -7.339 19.660 1.00 0.14 H new ATOM 0 HB ILE A 111 12.053 -8.006 21.522 1.00 0.16 H new ATOM 0 HG12 ILE A 111 12.974 -5.664 22.418 1.00 0.16 H new ATOM 0 HG13 ILE A 111 13.571 -5.506 20.778 1.00 0.16 H new ATOM 0 HG21 ILE A 111 13.711 -7.698 23.333 1.00 0.21 H new ATOM 0 HG22 ILE A 111 14.174 -9.049 22.270 1.00 0.21 H new ATOM 0 HG23 ILE A 111 14.995 -7.476 22.121 1.00 0.21 H new ATOM 0 HD11 ILE A 111 11.285 -4.558 20.974 1.00 0.18 H new ATOM 0 HD12 ILE A 111 11.284 -5.968 19.887 1.00 0.18 H new ATOM 0 HD13 ILE A 111 10.678 -6.128 21.553 1.00 0.18 H new ATOM 1727 N GLY A 112 15.061 -9.732 19.653 1.00 0.12 N ATOM 1728 CA GLY A 112 15.465 -11.164 19.653 1.00 0.13 C ATOM 1729 C GLY A 112 16.152 -11.482 20.982 1.00 0.25 C ATOM 1730 O GLY A 112 15.790 -10.960 22.018 1.00 0.57 O ATOM 0 H GLY A 112 15.807 -9.071 19.435 1.00 0.12 H new ATOM 0 HA2 GLY A 112 14.592 -11.802 19.517 1.00 0.13 H new ATOM 0 HA3 GLY A 112 16.140 -11.366 18.821 1.00 0.13 H new ATOM 1734 N ASP A 113 17.140 -12.329 20.963 1.00 0.34 N ATOM 1735 CA ASP A 113 17.847 -12.673 22.228 1.00 0.36 C ATOM 1736 C ASP A 113 19.123 -11.837 22.351 1.00 0.39 C ATOM 1737 O ASP A 113 19.865 -11.955 23.307 1.00 0.47 O ATOM 1738 CB ASP A 113 18.217 -14.156 22.206 1.00 0.39 C ATOM 1739 CG ASP A 113 17.577 -14.861 23.404 1.00 0.51 C ATOM 1740 OD1 ASP A 113 16.362 -14.828 23.506 1.00 0.73 O ATOM 1741 OD2 ASP A 113 18.313 -15.423 24.197 1.00 1.53 O ATOM 0 H ASP A 113 17.489 -12.798 20.128 1.00 0.34 H new ATOM 0 HA ASP A 113 17.196 -12.464 23.077 1.00 0.36 H new ATOM 0 HB2 ASP A 113 17.876 -14.613 21.277 1.00 0.39 H new ATOM 0 HB3 ASP A 113 19.300 -14.272 22.239 1.00 0.39 H new ATOM 1746 N ASN A 114 19.395 -10.999 21.387 1.00 0.35 N ATOM 1747 CA ASN A 114 20.635 -10.171 21.452 1.00 0.41 C ATOM 1748 C ASN A 114 20.279 -8.688 21.600 1.00 0.33 C ATOM 1749 O ASN A 114 21.145 -7.849 21.748 1.00 0.36 O ATOM 1750 CB ASN A 114 21.446 -10.374 20.171 1.00 0.49 C ATOM 1751 CG ASN A 114 22.929 -10.509 20.521 1.00 0.82 C ATOM 1752 OD1 ASN A 114 23.733 -9.684 20.136 1.00 2.06 O ATOM 1753 ND2 ASN A 114 23.329 -11.523 21.239 1.00 0.96 N ATOM 0 H ASN A 114 18.815 -10.852 20.561 1.00 0.35 H new ATOM 0 HA ASN A 114 21.222 -10.480 22.317 1.00 0.41 H new ATOM 0 HB2 ASN A 114 21.102 -11.267 19.648 1.00 0.49 H new ATOM 0 HB3 ASN A 114 21.296 -9.531 19.496 1.00 0.49 H new ATOM 0 HD21 ASN A 114 24.316 -11.622 21.476 1.00 0.96 H new ATOM 0 HD22 ASN A 114 22.655 -12.216 21.563 1.00 0.96 H new ATOM 1760 N GLY A 115 19.019 -8.354 21.564 1.00 0.25 N ATOM 1761 CA GLY A 115 18.628 -6.919 21.707 1.00 0.21 C ATOM 1762 C GLY A 115 17.415 -6.619 20.822 1.00 0.15 C ATOM 1763 O GLY A 115 16.569 -7.464 20.608 1.00 0.19 O ATOM 0 H GLY A 115 18.245 -9.007 21.443 1.00 0.25 H new ATOM 0 HA2 GLY A 115 18.393 -6.699 22.748 1.00 0.21 H new ATOM 0 HA3 GLY A 115 19.462 -6.276 21.426 1.00 0.21 H new ATOM 1767 N VAL A 116 17.321 -5.419 20.307 1.00 0.10 N ATOM 1768 CA VAL A 116 16.157 -5.074 19.440 1.00 0.05 C ATOM 1769 C VAL A 116 16.453 -5.466 17.992 1.00 0.05 C ATOM 1770 O VAL A 116 17.258 -4.849 17.325 1.00 0.06 O ATOM 1771 CB VAL A 116 15.901 -3.566 19.497 1.00 0.10 C ATOM 1772 CG1 VAL A 116 14.449 -3.292 19.130 1.00 0.12 C ATOM 1773 CG2 VAL A 116 16.183 -3.049 20.909 1.00 0.10 C ATOM 0 H VAL A 116 17.997 -4.668 20.449 1.00 0.10 H new ATOM 0 HA VAL A 116 15.281 -5.615 19.797 1.00 0.05 H new ATOM 0 HB VAL A 116 16.558 -3.056 18.793 1.00 0.10 H new ATOM 0 HG11 VAL A 116 14.260 -2.219 19.169 1.00 0.12 H new ATOM 0 HG12 VAL A 116 14.253 -3.659 18.122 1.00 0.12 H new ATOM 0 HG13 VAL A 116 13.793 -3.802 19.836 1.00 0.12 H new ATOM 0 HG21 VAL A 116 16.000 -1.975 20.947 1.00 0.10 H new ATOM 0 HG22 VAL A 116 15.528 -3.554 21.619 1.00 0.10 H new ATOM 0 HG23 VAL A 116 17.222 -3.249 21.169 1.00 0.10 H new ATOM 1783 N LEU A 117 15.804 -6.482 17.499 1.00 0.05 N ATOM 1784 CA LEU A 117 16.042 -6.906 16.091 1.00 0.06 C ATOM 1785 C LEU A 117 15.783 -5.729 15.142 1.00 0.04 C ATOM 1786 O LEU A 117 16.440 -5.582 14.132 1.00 0.10 O ATOM 1787 CB LEU A 117 15.095 -8.053 15.734 1.00 0.09 C ATOM 1788 CG LEU A 117 15.408 -9.275 16.600 1.00 0.19 C ATOM 1789 CD1 LEU A 117 14.180 -10.189 16.647 1.00 0.51 C ATOM 1790 CD2 LEU A 117 16.588 -10.041 15.995 1.00 0.36 C ATOM 0 H LEU A 117 15.118 -7.038 18.010 1.00 0.05 H new ATOM 0 HA LEU A 117 17.076 -7.236 15.989 1.00 0.06 H new ATOM 0 HB2 LEU A 117 14.061 -7.743 15.887 1.00 0.09 H new ATOM 0 HB3 LEU A 117 15.199 -8.307 14.679 1.00 0.09 H new ATOM 0 HG LEU A 117 15.664 -8.951 17.609 1.00 0.19 H new ATOM 0 HD11 LEU A 117 14.399 -11.061 17.263 1.00 0.51 H new ATOM 0 HD12 LEU A 117 13.338 -9.645 17.074 1.00 0.51 H new ATOM 0 HD13 LEU A 117 13.928 -10.512 15.637 1.00 0.51 H new ATOM 0 HD21 LEU A 117 16.811 -10.912 16.612 1.00 0.36 H new ATOM 0 HD22 LEU A 117 16.332 -10.367 14.987 1.00 0.36 H new ATOM 0 HD23 LEU A 117 17.462 -9.391 15.955 1.00 0.36 H new ATOM 1802 N ALA A 118 14.826 -4.891 15.444 1.00 0.07 N ATOM 1803 CA ALA A 118 14.542 -3.744 14.540 1.00 0.08 C ATOM 1804 C ALA A 118 13.709 -2.702 15.284 1.00 0.10 C ATOM 1805 O ALA A 118 13.368 -2.874 16.436 1.00 0.36 O ATOM 1806 CB ALA A 118 13.764 -4.241 13.319 1.00 0.06 C ATOM 0 H ALA A 118 14.234 -4.952 16.272 1.00 0.07 H new ATOM 0 HA ALA A 118 15.481 -3.294 14.217 1.00 0.08 H new ATOM 0 HB1 ALA A 118 13.555 -3.402 12.655 1.00 0.06 H new ATOM 0 HB2 ALA A 118 14.357 -4.985 12.788 1.00 0.06 H new ATOM 0 HB3 ALA A 118 12.825 -4.690 13.644 1.00 0.06 H new ATOM 1812 N CYS A 119 13.383 -1.621 14.636 1.00 0.25 N ATOM 1813 CA CYS A 119 12.573 -0.569 15.309 1.00 0.20 C ATOM 1814 C CYS A 119 12.017 0.397 14.253 1.00 0.30 C ATOM 1815 O CYS A 119 12.546 0.507 13.164 1.00 0.40 O ATOM 1816 CB CYS A 119 13.457 0.193 16.300 1.00 0.27 C ATOM 1817 SG CYS A 119 12.571 1.654 16.898 1.00 0.18 S ATOM 0 H CYS A 119 13.642 -1.420 13.670 1.00 0.25 H new ATOM 0 HA CYS A 119 11.744 -1.028 15.847 1.00 0.20 H new ATOM 0 HB2 CYS A 119 13.723 -0.452 17.137 1.00 0.27 H new ATOM 0 HB3 CYS A 119 14.388 0.491 15.819 1.00 0.27 H new ATOM 1822 N ALA A 120 10.954 1.097 14.561 1.00 0.28 N ATOM 1823 CA ALA A 120 10.372 2.051 13.572 1.00 0.40 C ATOM 1824 C ALA A 120 9.641 3.173 14.314 1.00 0.40 C ATOM 1825 O ALA A 120 9.075 2.965 15.369 1.00 0.41 O ATOM 1826 CB ALA A 120 9.383 1.312 12.667 1.00 0.46 C ATOM 0 H ALA A 120 10.465 1.048 15.455 1.00 0.28 H new ATOM 0 HA ALA A 120 11.172 2.475 12.965 1.00 0.40 H new ATOM 0 HB1 ALA A 120 8.959 2.010 11.945 1.00 0.46 H new ATOM 0 HB2 ALA A 120 9.902 0.513 12.137 1.00 0.46 H new ATOM 0 HB3 ALA A 120 8.583 0.886 13.273 1.00 0.46 H new ATOM 1832 N ILE A 121 9.645 4.362 13.771 1.00 0.40 N ATOM 1833 CA ILE A 121 8.946 5.492 14.445 1.00 0.41 C ATOM 1834 C ILE A 121 8.108 6.264 13.417 1.00 0.41 C ATOM 1835 O ILE A 121 8.621 6.777 12.444 1.00 0.38 O ATOM 1836 CB ILE A 121 9.983 6.430 15.063 1.00 0.42 C ATOM 1837 CG1 ILE A 121 10.623 5.750 16.276 1.00 0.51 C ATOM 1838 CG2 ILE A 121 9.302 7.724 15.505 1.00 0.38 C ATOM 1839 CD1 ILE A 121 11.911 6.485 16.649 1.00 0.52 C ATOM 0 H ILE A 121 10.102 4.598 12.890 1.00 0.40 H new ATOM 0 HA ILE A 121 8.292 5.103 15.225 1.00 0.41 H new ATOM 0 HB ILE A 121 10.752 6.659 14.325 1.00 0.42 H new ATOM 0 HG12 ILE A 121 9.931 5.757 17.118 1.00 0.51 H new ATOM 0 HG13 ILE A 121 10.839 4.706 16.049 1.00 0.51 H new ATOM 0 HG21 ILE A 121 10.042 8.392 15.946 1.00 0.38 H new ATOM 0 HG22 ILE A 121 8.844 8.208 14.642 1.00 0.38 H new ATOM 0 HG23 ILE A 121 8.533 7.497 16.243 1.00 0.38 H new ATOM 0 HD11 ILE A 121 12.368 6.002 17.513 1.00 0.52 H new ATOM 0 HD12 ILE A 121 12.604 6.455 15.808 1.00 0.52 H new ATOM 0 HD13 ILE A 121 11.681 7.522 16.893 1.00 0.52 H new ATOM 1851 N ALA A 122 6.823 6.349 13.626 1.00 0.44 N ATOM 1852 CA ALA A 122 5.954 7.082 12.661 1.00 0.43 C ATOM 1853 C ALA A 122 5.798 8.539 13.110 1.00 0.50 C ATOM 1854 O ALA A 122 5.796 8.839 14.287 1.00 0.66 O ATOM 1855 CB ALA A 122 4.579 6.416 12.614 1.00 0.46 C ATOM 0 H ALA A 122 6.336 5.942 14.425 1.00 0.44 H new ATOM 0 HA ALA A 122 6.410 7.057 11.671 1.00 0.43 H new ATOM 0 HB1 ALA A 122 3.940 6.949 11.910 1.00 0.46 H new ATOM 0 HB2 ALA A 122 4.687 5.380 12.293 1.00 0.46 H new ATOM 0 HB3 ALA A 122 4.127 6.444 13.606 1.00 0.46 H new ATOM 1861 N THR A 123 5.669 9.445 12.179 1.00 0.41 N ATOM 1862 CA THR A 123 5.515 10.882 12.547 1.00 0.49 C ATOM 1863 C THR A 123 4.029 11.248 12.602 1.00 0.46 C ATOM 1864 O THR A 123 3.440 11.341 13.660 1.00 0.79 O ATOM 1865 CB THR A 123 6.214 11.749 11.500 1.00 0.45 C ATOM 1866 OG1 THR A 123 6.668 10.924 10.435 1.00 0.36 O ATOM 1867 CG2 THR A 123 7.406 12.464 12.140 1.00 0.76 C ATOM 0 H THR A 123 5.664 9.252 11.177 1.00 0.41 H new ATOM 0 HA THR A 123 5.963 11.054 13.526 1.00 0.49 H new ATOM 0 HB THR A 123 5.515 12.491 11.114 1.00 0.45 H new ATOM 0 HG1 THR A 123 7.115 11.477 9.761 1.00 0.36 H new ATOM 0 HG21 THR A 123 7.904 13.082 11.393 1.00 0.76 H new ATOM 0 HG22 THR A 123 7.056 13.094 12.957 1.00 0.76 H new ATOM 0 HG23 THR A 123 8.108 11.726 12.526 1.00 0.76 H new ATOM 1875 N HIS A 124 3.419 11.459 11.467 1.00 0.17 N ATOM 1876 CA HIS A 124 1.974 11.824 11.453 1.00 0.35 C ATOM 1877 C HIS A 124 1.171 10.742 12.176 1.00 0.63 C ATOM 1878 O HIS A 124 1.720 9.793 12.699 1.00 1.81 O ATOM 1879 CB HIS A 124 1.488 11.935 10.007 1.00 0.45 C ATOM 1880 CG HIS A 124 2.234 13.039 9.314 1.00 0.78 C ATOM 1881 ND1 HIS A 124 1.608 14.200 8.890 1.00 0.88 N ATOM 1882 CD2 HIS A 124 3.554 13.176 8.969 1.00 3.02 C ATOM 1883 CE1 HIS A 124 2.545 14.978 8.316 1.00 0.76 C ATOM 1884 NE2 HIS A 124 3.749 14.401 8.338 1.00 2.99 N ATOM 0 H HIS A 124 3.859 11.394 10.549 1.00 0.17 H new ATOM 0 HA HIS A 124 1.836 12.781 11.957 1.00 0.35 H new ATOM 0 HB2 HIS A 124 1.646 10.991 9.485 1.00 0.45 H new ATOM 0 HB3 HIS A 124 0.417 12.136 9.986 1.00 0.45 H new ATOM 0 HD2 HIS A 124 4.325 12.444 9.158 1.00 3.02 H new ATOM 0 HE1 HIS A 124 2.347 15.950 7.890 1.00 0.76 H new ATOM 0 HE2 HIS A 124 4.623 14.777 7.971 1.00 2.99 H new ATOM 1892 N GLY A 125 -0.125 10.875 12.206 1.00 0.48 N ATOM 1893 CA GLY A 125 -0.956 9.848 12.893 1.00 0.29 C ATOM 1894 C GLY A 125 -2.112 10.524 13.632 1.00 0.32 C ATOM 1895 O GLY A 125 -1.951 11.556 14.249 1.00 0.30 O ATOM 0 H GLY A 125 -0.643 11.647 11.787 1.00 0.48 H new ATOM 0 HA2 GLY A 125 -1.345 9.136 12.165 1.00 0.29 H new ATOM 0 HA3 GLY A 125 -0.344 9.283 13.596 1.00 0.29 H new ATOM 1899 N LYS A 126 -3.275 9.943 13.572 1.00 0.37 N ATOM 1900 CA LYS A 126 -4.449 10.529 14.274 1.00 0.40 C ATOM 1901 C LYS A 126 -5.405 9.396 14.657 1.00 0.44 C ATOM 1902 O LYS A 126 -5.679 8.518 13.863 1.00 0.45 O ATOM 1903 CB LYS A 126 -5.157 11.517 13.345 1.00 0.40 C ATOM 1904 CG LYS A 126 -4.227 12.699 13.075 1.00 0.38 C ATOM 1905 CD LYS A 126 -5.057 13.933 12.711 1.00 0.55 C ATOM 1906 CE LYS A 126 -5.109 14.083 11.189 1.00 1.03 C ATOM 1907 NZ LYS A 126 -4.736 15.476 10.812 1.00 1.25 N ATOM 0 H LYS A 126 -3.465 9.080 13.063 1.00 0.37 H new ATOM 0 HA LYS A 126 -4.126 11.057 15.171 1.00 0.40 H new ATOM 0 HB2 LYS A 126 -5.425 11.027 12.409 1.00 0.40 H new ATOM 0 HB3 LYS A 126 -6.084 11.864 13.801 1.00 0.40 H new ATOM 0 HG2 LYS A 126 -3.618 12.904 13.956 1.00 0.38 H new ATOM 0 HG3 LYS A 126 -3.541 12.457 12.263 1.00 0.38 H new ATOM 0 HD2 LYS A 126 -6.066 13.837 13.112 1.00 0.55 H new ATOM 0 HD3 LYS A 126 -4.619 14.824 13.160 1.00 0.55 H new ATOM 0 HE2 LYS A 126 -4.427 13.373 10.720 1.00 1.03 H new ATOM 0 HE3 LYS A 126 -6.110 13.852 10.824 1.00 1.03 H new ATOM 0 HZ1 LYS A 126 -4.772 15.577 9.778 1.00 1.25 H new ATOM 0 HZ2 LYS A 126 -5.403 16.144 11.248 1.00 1.25 H new ATOM 0 HZ3 LYS A 126 -3.773 15.680 11.147 1.00 1.25 H new ATOM 1921 N ILE A 127 -5.912 9.392 15.860 1.00 0.45 N ATOM 1922 CA ILE A 127 -6.837 8.295 16.256 1.00 0.47 C ATOM 1923 C ILE A 127 -8.274 8.800 16.303 1.00 0.50 C ATOM 1924 O ILE A 127 -8.553 9.893 16.757 1.00 0.50 O ATOM 1925 CB ILE A 127 -6.462 7.760 17.633 1.00 0.49 C ATOM 1926 CG1 ILE A 127 -5.148 6.992 17.540 1.00 0.46 C ATOM 1927 CG2 ILE A 127 -7.562 6.814 18.110 1.00 0.52 C ATOM 1928 CD1 ILE A 127 -4.753 6.499 18.933 1.00 0.53 C ATOM 0 H ILE A 127 -5.728 10.093 16.578 1.00 0.45 H new ATOM 0 HA ILE A 127 -6.753 7.500 15.515 1.00 0.47 H new ATOM 0 HB ILE A 127 -6.350 8.588 18.333 1.00 0.49 H new ATOM 0 HG12 ILE A 127 -5.254 6.148 16.859 1.00 0.46 H new ATOM 0 HG13 ILE A 127 -4.366 7.633 17.133 1.00 0.46 H new ATOM 0 HG21 ILE A 127 -7.305 6.424 19.095 1.00 0.52 H new ATOM 0 HG22 ILE A 127 -8.507 7.355 18.169 1.00 0.52 H new ATOM 0 HG23 ILE A 127 -7.661 5.987 17.407 1.00 0.52 H new ATOM 0 HD11 ILE A 127 -3.814 5.949 18.872 1.00 0.53 H new ATOM 0 HD12 ILE A 127 -4.631 7.352 19.600 1.00 0.53 H new ATOM 0 HD13 ILE A 127 -5.532 5.844 19.322 1.00 0.53 H new ATOM 1940 N ARG A 128 -9.190 7.994 15.852 1.00 0.52 N ATOM 1941 CA ARG A 128 -10.625 8.391 15.880 1.00 0.54 C ATOM 1942 C ARG A 128 -11.447 7.225 16.434 1.00 0.62 C ATOM 1943 O ARG A 128 -10.933 6.146 16.657 1.00 0.73 O ATOM 1944 CB ARG A 128 -11.099 8.724 14.465 1.00 0.52 C ATOM 1945 CG ARG A 128 -10.882 10.212 14.189 1.00 0.50 C ATOM 1946 CD ARG A 128 -12.094 10.775 13.444 1.00 0.53 C ATOM 1947 NE ARG A 128 -12.816 11.735 14.326 1.00 2.37 N ATOM 1948 CZ ARG A 128 -13.376 12.797 13.815 1.00 2.37 C ATOM 1949 NH1 ARG A 128 -13.675 12.830 12.545 1.00 2.14 N ATOM 1950 NH2 ARG A 128 -13.643 13.826 14.573 1.00 2.75 N ATOM 0 H ARG A 128 -9.006 7.070 15.462 1.00 0.52 H new ATOM 0 HA ARG A 128 -10.751 9.270 16.512 1.00 0.54 H new ATOM 0 HB2 ARG A 128 -10.552 8.125 13.737 1.00 0.52 H new ATOM 0 HB3 ARG A 128 -12.154 8.473 14.356 1.00 0.52 H new ATOM 0 HG2 ARG A 128 -10.736 10.749 15.126 1.00 0.50 H new ATOM 0 HG3 ARG A 128 -9.979 10.355 13.596 1.00 0.50 H new ATOM 0 HD2 ARG A 128 -11.773 11.275 12.530 1.00 0.53 H new ATOM 0 HD3 ARG A 128 -12.760 9.965 13.147 1.00 0.53 H new ATOM 0 HE ARG A 128 -12.872 11.562 15.330 1.00 2.37 H new ATOM 0 HH11 ARG A 128 -13.471 12.026 11.952 1.00 2.14 H new ATOM 0 HH12 ARG A 128 -14.113 13.660 12.146 1.00 2.14 H new ATOM 0 HH21 ARG A 128 -13.414 13.801 15.567 1.00 2.75 H new ATOM 0 HH22 ARG A 128 -14.081 14.655 14.172 1.00 2.75 H new ATOM 1964 N ASP A 129 -12.715 7.424 16.658 1.00 0.58 N ATOM 1965 CA ASP A 129 -13.555 6.317 17.197 1.00 0.67 C ATOM 1966 C ASP A 129 -14.504 5.817 16.105 1.00 0.72 C ATOM 1967 O ASP A 129 -15.097 6.648 15.437 1.00 1.16 O ATOM 1968 CB ASP A 129 -14.376 6.829 18.384 1.00 0.52 C ATOM 1969 CG ASP A 129 -15.098 5.657 19.051 1.00 0.51 C ATOM 1970 OD1 ASP A 129 -14.423 4.821 19.627 1.00 1.09 O ATOM 1971 OD2 ASP A 129 -16.315 5.615 18.973 1.00 0.50 O ATOM 1972 OXT ASP A 129 -14.621 4.612 15.957 1.00 1.10 O ATOM 0 H ASP A 129 -13.206 8.302 16.492 1.00 0.58 H new ATOM 0 HA ASP A 129 -12.910 5.501 17.523 1.00 0.67 H new ATOM 0 HB2 ASP A 129 -13.724 7.325 19.103 1.00 0.52 H new ATOM 0 HB3 ASP A 129 -15.100 7.570 18.046 1.00 0.52 H new TER 1977 ASP A 129