USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 688 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -2.28 K(o=-2.3,f=-8.5!) USER MOD Single : A 6 GLN : amide:sc= -1.85 K(o=-1.8,f=-5.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.41! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0368 USER MOD Single : A 39 CYS SG : rot -166:sc= -1.22 USER MOD Single : A 42 GLN : amide:sc= -2.92 K(o=-2.9,f=-6.4!) USER MOD Single : A 43 SER OG : rot -18:sc= 1.21 USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= -0.0332 (180deg=-0.302) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 49 THR OG1 : rot 35:sc= 0.108 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 172:sc= 0.861 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0401) USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= -0.46 (180deg=-0.882) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.0077) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -119:sc= 1.03 (180deg=-1.34!) USER MOD Single : A 80 THR OG1 : rot 140:sc= -1.33 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.747 8.461 -0.020 1.00 5.02 N ATOM 2 CA MET A 1 18.707 9.462 0.333 1.00 4.66 C ATOM 3 C MET A 1 18.338 9.378 1.811 1.00 4.42 C ATOM 4 O MET A 1 18.805 10.175 2.624 1.00 4.63 O ATOM 5 CB MET A 1 17.474 9.209 -0.535 1.00 4.39 C ATOM 6 CG MET A 1 17.273 10.251 -1.622 1.00 4.63 C ATOM 7 SD MET A 1 18.332 9.975 -3.054 1.00 5.44 S ATOM 8 CE MET A 1 17.631 11.137 -4.223 1.00 5.68 C ATOM 0 H1 MET A 1 19.978 8.542 -1.031 1.00 5.02 H new ATOM 0 H2 MET A 1 20.602 8.635 0.545 1.00 5.02 H new ATOM 0 H3 MET A 1 19.390 7.505 0.178 1.00 5.02 H new ATOM 0 HA MET A 1 19.097 10.463 0.150 1.00 4.66 H new ATOM 0 HB2 MET A 1 17.561 8.226 -0.997 1.00 4.39 H new ATOM 0 HB3 MET A 1 16.590 9.185 0.102 1.00 4.39 H new ATOM 0 HG2 MET A 1 16.230 10.243 -1.939 1.00 4.63 H new ATOM 0 HG3 MET A 1 17.474 11.241 -1.212 1.00 4.63 H new ATOM 0 HE1 MET A 1 18.181 11.084 -5.163 1.00 5.68 H new ATOM 0 HE2 MET A 1 16.585 10.888 -4.400 1.00 5.68 H new ATOM 0 HE3 MET A 1 17.700 12.147 -3.818 1.00 5.68 H new ATOM 20 N GLY A 2 17.495 8.408 2.152 1.00 4.11 N ATOM 21 CA GLY A 2 17.077 8.240 3.532 1.00 4.01 C ATOM 22 C GLY A 2 15.594 8.498 3.738 1.00 3.33 C ATOM 23 O GLY A 2 15.066 8.267 4.826 1.00 3.34 O ATOM 0 H GLY A 2 17.094 7.736 1.498 1.00 4.11 H new ATOM 0 HA2 GLY A 2 17.312 7.226 3.856 1.00 4.01 H new ATOM 0 HA3 GLY A 2 17.650 8.918 4.165 1.00 4.01 H new ATOM 27 N GLN A 3 14.917 8.977 2.696 1.00 2.87 N ATOM 28 CA GLN A 3 13.490 9.262 2.777 1.00 2.29 C ATOM 29 C GLN A 3 12.671 8.069 2.296 1.00 1.97 C ATOM 30 O GLN A 3 13.141 7.268 1.488 1.00 2.17 O ATOM 31 CB GLN A 3 13.148 10.499 1.946 1.00 2.41 C ATOM 32 CG GLN A 3 13.937 11.735 2.345 1.00 3.17 C ATOM 33 CD GLN A 3 15.361 11.711 1.824 1.00 3.60 C ATOM 34 OE1 GLN A 3 15.659 11.052 0.828 1.00 3.44 O ATOM 35 NE2 GLN A 3 16.249 12.432 2.497 1.00 4.47 N ATOM 0 H GLN A 3 15.335 9.175 1.787 1.00 2.87 H new ATOM 0 HA GLN A 3 13.241 9.455 3.821 1.00 2.29 H new ATOM 0 HB2 GLN A 3 13.334 10.283 0.894 1.00 2.41 H new ATOM 0 HB3 GLN A 3 12.083 10.710 2.045 1.00 2.41 H new ATOM 0 HG2 GLN A 3 13.430 12.623 1.966 1.00 3.17 H new ATOM 0 HG3 GLN A 3 13.953 11.816 3.432 1.00 3.17 H new ATOM 0 HE21 GLN A 3 15.958 12.963 3.318 1.00 4.47 H new ATOM 0 HE22 GLN A 3 17.223 12.455 2.194 1.00 4.47 H new ATOM 44 N VAL A 4 11.447 7.953 2.801 1.00 1.57 N ATOM 45 CA VAL A 4 10.570 6.852 2.422 1.00 1.29 C ATOM 46 C VAL A 4 9.316 7.348 1.707 1.00 1.28 C ATOM 47 O VAL A 4 8.788 8.417 2.016 1.00 1.44 O ATOM 48 CB VAL A 4 10.141 6.010 3.644 1.00 1.17 C ATOM 49 CG1 VAL A 4 11.355 5.467 4.380 1.00 1.39 C ATOM 50 CG2 VAL A 4 9.262 6.825 4.580 1.00 1.57 C ATOM 0 H VAL A 4 11.041 8.606 3.472 1.00 1.57 H new ATOM 0 HA VAL A 4 11.150 6.228 1.743 1.00 1.29 H new ATOM 0 HB VAL A 4 9.558 5.163 3.283 1.00 1.17 H new ATOM 0 HG11 VAL A 4 11.028 4.878 5.236 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.937 4.837 3.707 1.00 1.39 H new ATOM 0 HG13 VAL A 4 11.972 6.296 4.725 1.00 1.39 H new ATOM 0 HG21 VAL A 4 8.972 6.212 5.433 1.00 1.57 H new ATOM 0 HG22 VAL A 4 9.814 7.697 4.931 1.00 1.57 H new ATOM 0 HG23 VAL A 4 8.369 7.152 4.048 1.00 1.57 H new ATOM 60 N VAL A 5 8.838 6.544 0.766 1.00 1.14 N ATOM 61 CA VAL A 5 7.634 6.860 0.011 1.00 1.22 C ATOM 62 C VAL A 5 6.449 6.130 0.629 1.00 1.03 C ATOM 63 O VAL A 5 6.504 4.922 0.856 1.00 0.92 O ATOM 64 CB VAL A 5 7.767 6.442 -1.466 1.00 1.29 C ATOM 65 CG1 VAL A 5 8.923 7.175 -2.127 1.00 1.79 C ATOM 66 CG2 VAL A 5 7.946 4.933 -1.580 1.00 1.70 C ATOM 0 H VAL A 5 9.272 5.658 0.506 1.00 1.14 H new ATOM 0 HA VAL A 5 7.483 7.939 0.049 1.00 1.22 H new ATOM 0 HB VAL A 5 6.849 6.716 -1.986 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.001 6.867 -3.170 1.00 1.79 H new ATOM 0 HG12 VAL A 5 8.748 8.250 -2.079 1.00 1.79 H new ATOM 0 HG13 VAL A 5 9.851 6.935 -1.607 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.038 4.656 -2.630 1.00 1.70 H new ATOM 0 HG22 VAL A 5 8.847 4.632 -1.045 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.081 4.430 -1.147 1.00 1.70 H new ATOM 76 N GLN A 6 5.393 6.870 0.935 1.00 1.03 N ATOM 77 CA GLN A 6 4.220 6.282 1.565 1.00 0.85 C ATOM 78 C GLN A 6 3.105 6.005 0.569 1.00 0.83 C ATOM 79 O GLN A 6 2.811 6.821 -0.305 1.00 0.94 O ATOM 80 CB GLN A 6 3.716 7.200 2.676 1.00 0.83 C ATOM 81 CG GLN A 6 4.787 7.546 3.697 1.00 1.45 C ATOM 82 CD GLN A 6 5.530 8.825 3.357 1.00 1.81 C ATOM 83 OE1 GLN A 6 6.760 8.856 3.344 1.00 2.26 O ATOM 84 NE2 GLN A 6 4.784 9.889 3.081 1.00 2.01 N ATOM 0 H GLN A 6 5.324 7.872 0.759 1.00 1.03 H new ATOM 0 HA GLN A 6 4.520 5.322 1.985 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.334 8.120 2.233 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.880 6.720 3.184 1.00 0.83 H new ATOM 0 HG2 GLN A 6 4.327 7.649 4.680 1.00 1.45 H new ATOM 0 HG3 GLN A 6 5.499 6.724 3.763 1.00 1.45 H new ATOM 0 HE21 GLN A 6 3.767 9.818 3.104 1.00 2.01 H new ATOM 0 HE22 GLN A 6 5.229 10.777 2.847 1.00 2.01 H new ATOM 93 N PHE A 7 2.480 4.843 0.723 1.00 0.74 N ATOM 94 CA PHE A 7 1.386 4.437 -0.138 1.00 0.78 C ATOM 95 C PHE A 7 0.052 4.686 0.560 1.00 0.62 C ATOM 96 O PHE A 7 -0.094 4.425 1.759 1.00 0.55 O ATOM 97 CB PHE A 7 1.532 2.957 -0.511 1.00 0.86 C ATOM 98 CG PHE A 7 0.307 2.372 -1.151 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.764 1.972 -0.372 1.00 0.98 C ATOM 100 CD2 PHE A 7 0.225 2.228 -2.525 1.00 1.14 C ATOM 101 CE1 PHE A 7 -1.896 1.438 -0.949 1.00 1.17 C ATOM 102 CE2 PHE A 7 -0.906 1.694 -3.110 1.00 1.29 C ATOM 103 CZ PHE A 7 -1.969 1.299 -2.322 1.00 1.29 C ATOM 0 H PHE A 7 2.719 4.163 1.445 1.00 0.74 H new ATOM 0 HA PHE A 7 1.414 5.028 -1.053 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.376 2.845 -1.192 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.769 2.387 0.387 1.00 0.86 H new ATOM 0 HD1 PHE A 7 -0.712 2.079 0.701 1.00 0.98 H new ATOM 0 HD2 PHE A 7 1.053 2.536 -3.146 1.00 1.14 H new ATOM 0 HE1 PHE A 7 -2.725 1.129 -0.329 1.00 1.17 H new ATOM 0 HE2 PHE A 7 -0.959 1.585 -4.183 1.00 1.29 H new ATOM 0 HZ PHE A 7 -2.855 0.882 -2.778 1.00 1.29 H new ATOM 113 N LYS A 8 -0.913 5.200 -0.196 1.00 0.60 N ATOM 114 CA LYS A 8 -2.234 5.497 0.342 1.00 0.54 C ATOM 115 C LYS A 8 -3.333 4.862 -0.505 1.00 0.68 C ATOM 116 O LYS A 8 -3.225 4.790 -1.729 1.00 0.77 O ATOM 117 CB LYS A 8 -2.442 7.015 0.419 1.00 0.61 C ATOM 118 CG LYS A 8 -2.705 7.672 -0.928 1.00 1.40 C ATOM 119 CD LYS A 8 -1.627 8.686 -1.273 1.00 2.22 C ATOM 120 CE LYS A 8 -1.566 9.806 -0.246 1.00 1.88 C ATOM 121 NZ LYS A 8 -2.400 10.973 -0.646 1.00 2.42 N ATOM 0 H LYS A 8 -0.803 5.420 -1.186 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.292 5.073 1.345 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -3.281 7.223 1.083 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.559 7.470 0.868 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -2.749 6.908 -1.704 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.677 8.165 -0.910 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -0.660 8.186 -1.326 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -1.823 9.106 -2.260 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -1.905 9.432 0.720 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -0.532 10.126 -0.119 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -2.331 11.714 0.080 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -2.061 11.347 -1.555 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -3.391 10.674 -0.743 1.00 2.42 H new ATOM 135 N LEU A 9 -4.402 4.420 0.153 1.00 0.86 N ATOM 136 CA LEU A 9 -5.538 3.811 -0.538 1.00 1.06 C ATOM 137 C LEU A 9 -5.943 4.670 -1.736 1.00 1.74 C ATOM 138 O LEU A 9 -6.038 5.892 -1.623 1.00 2.24 O ATOM 139 CB LEU A 9 -6.710 3.665 0.442 1.00 1.28 C ATOM 140 CG LEU A 9 -7.911 2.835 -0.039 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.540 3.451 -1.275 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.517 1.392 -0.302 1.00 1.96 C ATOM 0 H LEU A 9 -4.506 4.472 1.166 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.256 2.824 -0.904 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.332 3.216 1.361 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -7.066 4.663 0.698 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.653 2.840 0.760 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.387 2.843 -1.593 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -8.883 4.460 -1.044 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -7.802 3.493 -2.076 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.389 0.833 -0.641 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -6.745 1.360 -1.070 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.134 0.946 0.616 1.00 1.96 H new ATOM 154 N SER A 10 -6.164 4.034 -2.881 1.00 2.11 N ATOM 155 CA SER A 10 -6.542 4.759 -4.090 1.00 2.83 C ATOM 156 C SER A 10 -7.772 4.140 -4.746 1.00 2.93 C ATOM 157 O SER A 10 -8.192 3.042 -4.382 1.00 3.26 O ATOM 158 CB SER A 10 -5.376 4.777 -5.081 1.00 3.76 C ATOM 159 OG SER A 10 -4.132 4.831 -4.405 1.00 4.49 O ATOM 0 H SER A 10 -6.089 3.024 -2.998 1.00 2.11 H new ATOM 0 HA SER A 10 -6.788 5.782 -3.804 1.00 2.83 H new ATOM 0 HB2 SER A 10 -5.414 3.886 -5.708 1.00 3.76 H new ATOM 0 HB3 SER A 10 -5.471 5.637 -5.743 1.00 3.76 H new ATOM 0 HG SER A 10 -3.404 4.840 -5.061 1.00 4.49 H new ATOM 165 N ASP A 11 -8.342 4.862 -5.718 1.00 3.22 N ATOM 166 CA ASP A 11 -9.532 4.414 -6.457 1.00 3.68 C ATOM 167 C ASP A 11 -10.828 4.824 -5.755 1.00 3.44 C ATOM 168 O ASP A 11 -11.875 4.940 -6.393 1.00 4.01 O ATOM 169 CB ASP A 11 -9.519 2.895 -6.674 1.00 4.18 C ATOM 170 CG ASP A 11 -9.911 2.512 -8.088 1.00 4.90 C ATOM 171 OD1 ASP A 11 -10.590 3.320 -8.755 1.00 5.41 O ATOM 172 OD2 ASP A 11 -9.539 1.403 -8.527 1.00 5.24 O ATOM 0 H ASP A 11 -7.993 5.773 -6.016 1.00 3.22 H new ATOM 0 HA ASP A 11 -9.497 4.908 -7.428 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -8.523 2.508 -6.458 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -10.204 2.424 -5.969 1.00 4.18 H new ATOM 177 N ILE A 12 -10.759 5.040 -4.445 1.00 2.82 N ATOM 178 CA ILE A 12 -11.932 5.431 -3.673 1.00 2.70 C ATOM 179 C ILE A 12 -12.015 6.958 -3.551 1.00 2.96 C ATOM 180 O ILE A 12 -11.046 7.668 -3.818 1.00 3.29 O ATOM 181 CB ILE A 12 -11.912 4.756 -2.271 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.267 3.273 -2.404 1.00 1.94 C ATOM 183 CG2 ILE A 12 -12.867 5.434 -1.291 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.129 2.415 -2.922 1.00 1.97 C ATOM 0 H ILE A 12 -9.903 4.951 -3.897 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.823 5.089 -4.199 1.00 2.70 H new ATOM 0 HB ILE A 12 -10.904 4.862 -1.870 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -12.580 2.895 -1.431 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -13.120 3.172 -3.075 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -12.818 4.928 -0.327 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -12.581 6.479 -1.168 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -13.885 5.380 -1.678 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -11.457 1.378 -2.989 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -10.830 2.765 -3.910 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -10.281 2.484 -2.240 1.00 1.97 H new ATOM 196 N GLY A 13 -13.186 7.452 -3.158 1.00 3.15 N ATOM 197 CA GLY A 13 -13.389 8.881 -3.016 1.00 3.67 C ATOM 198 C GLY A 13 -13.624 9.297 -1.577 1.00 3.84 C ATOM 199 O GLY A 13 -13.776 8.452 -0.695 1.00 3.63 O ATOM 0 H GLY A 13 -14.002 6.883 -2.934 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -12.518 9.408 -3.405 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -14.242 9.185 -3.622 1.00 3.67 H new ATOM 203 N GLU A 14 -13.648 10.606 -1.341 1.00 4.49 N ATOM 204 CA GLU A 14 -13.859 11.146 0.000 1.00 4.81 C ATOM 205 C GLU A 14 -15.006 10.440 0.722 1.00 4.15 C ATOM 206 O GLU A 14 -14.968 10.270 1.940 1.00 4.04 O ATOM 207 CB GLU A 14 -14.135 12.650 -0.074 1.00 5.76 C ATOM 208 CG GLU A 14 -15.521 12.994 -0.598 1.00 6.16 C ATOM 209 CD GLU A 14 -15.575 14.361 -1.253 1.00 7.04 C ATOM 210 OE1 GLU A 14 -14.762 14.613 -2.166 1.00 7.20 O ATOM 211 OE2 GLU A 14 -16.429 15.178 -0.851 1.00 7.72 O ATOM 0 H GLU A 14 -13.523 11.315 -2.064 1.00 4.49 H new ATOM 0 HA GLU A 14 -12.948 10.971 0.572 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -14.015 13.081 0.920 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -13.388 13.116 -0.716 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -15.831 12.237 -1.319 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -16.235 12.961 0.225 1.00 6.16 H new ATOM 218 N GLY A 15 -16.028 10.036 -0.028 1.00 3.81 N ATOM 219 CA GLY A 15 -17.162 9.363 0.581 1.00 3.32 C ATOM 220 C GLY A 15 -18.008 8.596 -0.418 1.00 2.93 C ATOM 221 O GLY A 15 -19.181 8.912 -0.618 1.00 3.13 O ATOM 0 H GLY A 15 -16.091 10.161 -1.038 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -16.801 8.675 1.345 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -17.786 10.101 1.085 1.00 3.32 H new ATOM 225 N ILE A 16 -17.417 7.583 -1.042 1.00 2.53 N ATOM 226 CA ILE A 16 -18.130 6.767 -2.020 1.00 2.22 C ATOM 227 C ILE A 16 -18.195 5.305 -1.579 1.00 1.91 C ATOM 228 O ILE A 16 -19.183 4.614 -1.823 1.00 1.88 O ATOM 229 CB ILE A 16 -17.469 6.855 -3.415 1.00 2.22 C ATOM 230 CG1 ILE A 16 -16.148 6.070 -3.461 1.00 2.32 C ATOM 231 CG2 ILE A 16 -17.232 8.309 -3.792 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.307 4.650 -3.959 1.00 2.22 C ATOM 0 H ILE A 16 -16.447 7.307 -0.889 1.00 2.53 H new ATOM 0 HA ILE A 16 -19.144 7.162 -2.085 1.00 2.22 H new ATOM 0 HB ILE A 16 -18.149 6.405 -4.138 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -15.444 6.596 -4.106 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -15.712 6.050 -2.462 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -16.766 8.358 -4.776 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -18.184 8.839 -3.814 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -16.575 8.773 -3.056 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.336 4.156 -3.965 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.986 4.108 -3.301 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -16.714 4.662 -4.970 1.00 2.22 H new ATOM 244 N ARG A 17 -17.120 4.853 -0.935 1.00 1.82 N ATOM 245 CA ARG A 17 -16.987 3.482 -0.444 1.00 1.64 C ATOM 246 C ARG A 17 -15.506 3.162 -0.296 1.00 1.22 C ATOM 247 O ARG A 17 -14.711 3.459 -1.186 1.00 1.14 O ATOM 248 CB ARG A 17 -17.651 2.466 -1.390 1.00 1.77 C ATOM 249 CG ARG A 17 -17.307 1.015 -1.078 1.00 2.27 C ATOM 250 CD ARG A 17 -17.660 0.095 -2.235 1.00 2.75 C ATOM 251 NE ARG A 17 -19.064 0.210 -2.620 1.00 3.16 N ATOM 252 CZ ARG A 17 -19.677 -0.649 -3.428 1.00 3.76 C ATOM 253 NH1 ARG A 17 -19.014 -1.684 -3.925 1.00 4.04 N ATOM 254 NH2 ARG A 17 -20.954 -0.473 -3.740 1.00 4.40 N ATOM 0 H ARG A 17 -16.307 5.436 -0.737 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.495 3.406 0.518 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -18.733 2.591 -1.340 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.351 2.688 -2.414 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -16.243 0.932 -0.858 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -17.843 0.698 -0.183 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -17.029 0.332 -3.092 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -17.444 -0.936 -1.956 1.00 2.75 H new ATOM 0 HE ARG A 17 -19.603 0.992 -2.249 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -18.032 -1.822 -3.687 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -19.486 -2.342 -4.545 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -21.467 0.322 -3.360 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -21.423 -1.133 -4.360 1.00 4.40 H new ATOM 268 N GLU A 18 -15.135 2.564 0.823 1.00 1.16 N ATOM 269 CA GLU A 18 -13.741 2.226 1.063 1.00 0.91 C ATOM 270 C GLU A 18 -13.481 0.765 0.731 1.00 0.63 C ATOM 271 O GLU A 18 -14.419 -0.004 0.518 1.00 0.66 O ATOM 272 CB GLU A 18 -13.372 2.541 2.509 1.00 1.29 C ATOM 273 CG GLU A 18 -13.374 4.032 2.802 1.00 1.64 C ATOM 274 CD GLU A 18 -13.968 4.361 4.158 1.00 1.83 C ATOM 275 OE1 GLU A 18 -13.478 3.815 5.169 1.00 2.17 O ATOM 276 OE2 GLU A 18 -14.923 5.165 4.209 1.00 2.11 O ATOM 0 H GLU A 18 -15.773 2.304 1.575 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.110 2.829 0.410 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -14.075 2.043 3.176 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.384 2.134 2.725 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.352 4.408 2.757 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -13.939 4.550 2.027 1.00 1.64 H new ATOM 283 N VAL A 19 -12.210 0.384 0.652 1.00 0.63 N ATOM 284 CA VAL A 19 -11.870 -0.993 0.300 1.00 0.57 C ATOM 285 C VAL A 19 -11.017 -1.678 1.359 1.00 0.41 C ATOM 286 O VAL A 19 -10.214 -1.042 2.042 1.00 0.47 O ATOM 287 CB VAL A 19 -11.135 -1.057 -1.053 1.00 0.93 C ATOM 288 CG1 VAL A 19 -9.776 -0.382 -0.955 1.00 1.51 C ATOM 289 CG2 VAL A 19 -10.990 -2.499 -1.517 1.00 1.16 C ATOM 0 H VAL A 19 -11.411 0.995 0.823 1.00 0.63 H new ATOM 0 HA VAL A 19 -12.819 -1.525 0.231 1.00 0.57 H new ATOM 0 HB VAL A 19 -11.729 -0.521 -1.793 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.272 -0.437 -1.920 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -9.908 0.663 -0.674 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.172 -0.887 -0.201 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.469 -2.523 -2.474 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.420 -3.063 -0.779 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -11.978 -2.946 -1.631 1.00 1.16 H new ATOM 299 N THR A 20 -11.196 -2.991 1.473 1.00 0.37 N ATOM 300 CA THR A 20 -10.449 -3.796 2.429 1.00 0.30 C ATOM 301 C THR A 20 -9.289 -4.495 1.743 1.00 0.33 C ATOM 302 O THR A 20 -9.336 -4.756 0.540 1.00 0.65 O ATOM 303 CB THR A 20 -11.335 -4.878 3.078 1.00 0.43 C ATOM 304 OG1 THR A 20 -12.719 -4.531 2.952 1.00 0.69 O ATOM 305 CG2 THR A 20 -10.977 -5.069 4.546 1.00 0.54 C ATOM 0 H THR A 20 -11.859 -3.522 0.908 1.00 0.37 H new ATOM 0 HA THR A 20 -10.087 -3.114 3.198 1.00 0.30 H new ATOM 0 HB THR A 20 -11.155 -5.818 2.556 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.270 -5.227 3.367 1.00 0.69 H new ATOM 0 HG21 THR A 20 -11.617 -5.838 4.980 1.00 0.54 H new ATOM 0 HG22 THR A 20 -9.934 -5.375 4.629 1.00 0.54 H new ATOM 0 HG23 THR A 20 -11.123 -4.131 5.081 1.00 0.54 H new ATOM 313 N VAL A 21 -8.255 -4.813 2.507 1.00 0.28 N ATOM 314 CA VAL A 21 -7.099 -5.502 1.946 1.00 0.25 C ATOM 315 C VAL A 21 -7.384 -6.993 1.795 1.00 0.29 C ATOM 316 O VAL A 21 -7.811 -7.652 2.740 1.00 0.33 O ATOM 317 CB VAL A 21 -5.840 -5.308 2.810 1.00 0.29 C ATOM 318 CG1 VAL A 21 -4.627 -5.923 2.128 1.00 1.39 C ATOM 319 CG2 VAL A 21 -5.613 -3.832 3.087 1.00 1.21 C ATOM 0 H VAL A 21 -8.190 -4.609 3.504 1.00 0.28 H new ATOM 0 HA VAL A 21 -6.912 -5.064 0.966 1.00 0.25 H new ATOM 0 HB VAL A 21 -5.988 -5.816 3.763 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -3.746 -5.777 2.752 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -4.794 -6.990 1.981 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.471 -5.443 1.162 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -4.719 -3.710 3.699 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.483 -3.301 2.144 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.474 -3.425 3.617 1.00 1.21 H new ATOM 329 N LYS A 22 -7.159 -7.517 0.596 1.00 0.36 N ATOM 330 CA LYS A 22 -7.405 -8.927 0.322 1.00 0.46 C ATOM 331 C LYS A 22 -6.138 -9.757 0.508 1.00 0.52 C ATOM 332 O LYS A 22 -6.206 -10.940 0.841 1.00 0.66 O ATOM 333 CB LYS A 22 -7.937 -9.103 -1.102 1.00 0.52 C ATOM 334 CG LYS A 22 -8.500 -10.488 -1.374 1.00 0.78 C ATOM 335 CD LYS A 22 -10.001 -10.535 -1.137 1.00 1.48 C ATOM 336 CE LYS A 22 -10.541 -11.952 -1.252 1.00 2.16 C ATOM 337 NZ LYS A 22 -10.628 -12.402 -2.669 1.00 2.95 N ATOM 0 H LYS A 22 -6.807 -6.987 -0.201 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.151 -9.281 1.033 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -8.715 -8.361 -1.285 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -7.132 -8.902 -1.809 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -8.284 -10.774 -2.403 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -8.006 -11.216 -0.730 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -10.226 -10.138 -0.147 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -10.505 -9.893 -1.860 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -9.897 -12.632 -0.694 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -11.529 -12.002 -0.794 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -11.001 -13.372 -2.703 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -11.263 -11.769 -3.196 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -9.681 -12.379 -3.099 1.00 2.95 H new ATOM 351 N GLU A 23 -4.984 -9.136 0.288 1.00 0.46 N ATOM 352 CA GLU A 23 -3.711 -9.833 0.430 1.00 0.56 C ATOM 353 C GLU A 23 -2.654 -8.946 1.085 1.00 0.42 C ATOM 354 O GLU A 23 -2.488 -7.782 0.718 1.00 0.42 O ATOM 355 CB GLU A 23 -3.213 -10.309 -0.936 1.00 0.73 C ATOM 356 CG GLU A 23 -2.460 -11.628 -0.881 1.00 1.09 C ATOM 357 CD GLU A 23 -3.332 -12.813 -1.249 1.00 1.33 C ATOM 358 OE1 GLU A 23 -4.486 -12.593 -1.672 1.00 2.13 O ATOM 359 OE2 GLU A 23 -2.860 -13.962 -1.112 1.00 1.63 O ATOM 0 H GLU A 23 -4.904 -8.157 0.012 1.00 0.46 H new ATOM 0 HA GLU A 23 -3.878 -10.694 1.077 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -4.065 -10.414 -1.608 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -2.562 -9.546 -1.363 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -1.608 -11.584 -1.559 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -2.061 -11.773 0.123 1.00 1.09 H new ATOM 366 N TRP A 24 -1.934 -9.515 2.048 1.00 0.35 N ATOM 367 CA TRP A 24 -0.878 -8.797 2.754 1.00 0.26 C ATOM 368 C TRP A 24 0.394 -9.638 2.780 1.00 0.24 C ATOM 369 O TRP A 24 0.419 -10.717 3.372 1.00 0.33 O ATOM 370 CB TRP A 24 -1.323 -8.465 4.181 1.00 0.37 C ATOM 371 CG TRP A 24 -1.836 -7.067 4.333 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.057 -6.697 4.807 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.146 -5.855 4.011 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.174 -5.330 4.801 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.013 -4.789 4.317 1.00 0.47 C ATOM 376 CE3 TRP A 24 0.120 -5.566 3.497 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -1.656 -3.459 4.123 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.474 -4.244 3.305 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.412 -3.205 3.619 1.00 0.70 C ATOM 0 H TRP A 24 -2.064 -10.478 2.359 1.00 0.35 H new ATOM 0 HA TRP A 24 -0.674 -7.864 2.229 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.102 -9.165 4.483 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -0.482 -8.612 4.859 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -3.824 -7.381 5.140 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -3.992 -4.803 5.107 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.810 -6.361 3.254 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.338 -2.656 4.362 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.450 -4.008 2.906 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.105 -2.182 3.459 1.00 0.70 H new ATOM 390 N TYR A 25 1.445 -9.154 2.122 1.00 0.20 N ATOM 391 CA TYR A 25 2.706 -9.891 2.067 1.00 0.31 C ATOM 392 C TYR A 25 3.849 -9.098 2.688 1.00 0.27 C ATOM 393 O TYR A 25 5.017 -9.326 2.370 1.00 0.36 O ATOM 394 CB TYR A 25 3.049 -10.242 0.618 1.00 0.42 C ATOM 395 CG TYR A 25 3.277 -11.719 0.388 1.00 0.70 C ATOM 396 CD1 TYR A 25 4.152 -12.440 1.191 1.00 1.16 C ATOM 397 CD2 TYR A 25 2.616 -12.392 -0.631 1.00 1.07 C ATOM 398 CE1 TYR A 25 4.362 -13.790 0.985 1.00 1.44 C ATOM 399 CE2 TYR A 25 2.820 -13.743 -0.843 1.00 1.34 C ATOM 400 CZ TYR A 25 3.694 -14.436 -0.034 1.00 1.36 C ATOM 401 OH TYR A 25 3.900 -15.781 -0.242 1.00 1.72 O ATOM 0 H TYR A 25 1.450 -8.264 1.624 1.00 0.20 H new ATOM 0 HA TYR A 25 2.577 -10.806 2.645 1.00 0.31 H new ATOM 0 HB2 TYR A 25 2.241 -9.903 -0.030 1.00 0.42 H new ATOM 0 HB3 TYR A 25 3.944 -9.695 0.323 1.00 0.42 H new ATOM 0 HD1 TYR A 25 4.677 -11.937 1.990 1.00 1.16 H new ATOM 0 HD2 TYR A 25 1.932 -11.852 -1.268 1.00 1.07 H new ATOM 0 HE1 TYR A 25 5.045 -14.336 1.618 1.00 1.44 H new ATOM 0 HE2 TYR A 25 2.297 -14.253 -1.639 1.00 1.34 H new ATOM 0 HH TYR A 25 3.353 -16.083 -0.997 1.00 1.72 H new ATOM 411 N VAL A 26 3.512 -8.165 3.569 1.00 0.22 N ATOM 412 CA VAL A 26 4.519 -7.340 4.223 1.00 0.22 C ATOM 413 C VAL A 26 4.094 -6.978 5.644 1.00 0.22 C ATOM 414 O VAL A 26 2.907 -7.001 5.970 1.00 0.31 O ATOM 415 CB VAL A 26 4.784 -6.051 3.419 1.00 0.28 C ATOM 416 CG1 VAL A 26 5.147 -6.387 1.983 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.570 -5.129 3.467 1.00 0.40 C ATOM 0 H VAL A 26 2.552 -7.961 3.847 1.00 0.22 H new ATOM 0 HA VAL A 26 5.438 -7.924 4.269 1.00 0.22 H new ATOM 0 HB VAL A 26 5.626 -5.528 3.873 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.331 -5.466 1.429 1.00 0.50 H new ATOM 0 HG12 VAL A 26 6.045 -7.004 1.970 1.00 0.50 H new ATOM 0 HG13 VAL A 26 4.326 -6.932 1.518 1.00 0.50 H new ATOM 0 HG21 VAL A 26 3.777 -4.225 2.894 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.708 -5.640 3.039 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.357 -4.862 4.502 1.00 0.40 H new ATOM 427 N LYS A 27 5.068 -6.647 6.485 1.00 0.24 N ATOM 428 CA LYS A 27 4.787 -6.283 7.870 1.00 0.26 C ATOM 429 C LYS A 27 5.662 -5.117 8.317 1.00 0.29 C ATOM 430 O LYS A 27 6.718 -4.861 7.738 1.00 0.42 O ATOM 431 CB LYS A 27 5.013 -7.484 8.789 1.00 0.38 C ATOM 432 CG LYS A 27 4.246 -8.726 8.366 1.00 0.61 C ATOM 433 CD LYS A 27 3.608 -9.423 9.557 1.00 0.99 C ATOM 434 CE LYS A 27 2.135 -9.709 9.312 1.00 1.52 C ATOM 435 NZ LYS A 27 1.317 -9.499 10.538 1.00 1.89 N ATOM 0 H LYS A 27 6.056 -6.623 6.233 1.00 0.24 H new ATOM 0 HA LYS A 27 3.743 -5.975 7.933 1.00 0.26 H new ATOM 0 HB2 LYS A 27 6.078 -7.716 8.815 1.00 0.38 H new ATOM 0 HB3 LYS A 27 4.721 -7.215 9.804 1.00 0.38 H new ATOM 0 HG2 LYS A 27 3.473 -8.450 7.648 1.00 0.61 H new ATOM 0 HG3 LYS A 27 4.921 -9.416 7.859 1.00 0.61 H new ATOM 0 HD2 LYS A 27 4.133 -10.357 9.757 1.00 0.99 H new ATOM 0 HD3 LYS A 27 3.716 -8.800 10.445 1.00 0.99 H new ATOM 0 HE2 LYS A 27 1.767 -9.062 8.515 1.00 1.52 H new ATOM 0 HE3 LYS A 27 2.017 -10.737 8.969 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 0.319 -9.704 10.329 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 1.651 -10.134 11.291 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 1.409 -8.512 10.852 1.00 1.89 H new ATOM 449 N GLU A 28 5.217 -4.413 9.354 1.00 0.30 N ATOM 450 CA GLU A 28 5.963 -3.276 9.879 1.00 0.34 C ATOM 451 C GLU A 28 7.405 -3.671 10.175 1.00 0.38 C ATOM 452 O GLU A 28 7.663 -4.728 10.751 1.00 0.42 O ATOM 453 CB GLU A 28 5.302 -2.742 11.151 1.00 0.42 C ATOM 454 CG GLU A 28 3.785 -2.703 11.085 1.00 0.35 C ATOM 455 CD GLU A 28 3.182 -1.793 12.139 1.00 1.10 C ATOM 456 OE1 GLU A 28 3.532 -1.948 13.327 1.00 1.23 O ATOM 457 OE2 GLU A 28 2.363 -0.923 11.774 1.00 2.03 O ATOM 0 H GLU A 28 4.345 -4.610 9.846 1.00 0.30 H new ATOM 0 HA GLU A 28 5.960 -2.491 9.122 1.00 0.34 H new ATOM 0 HB2 GLU A 28 5.604 -3.364 11.994 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.674 -1.736 11.347 1.00 0.42 H new ATOM 0 HG2 GLU A 28 3.476 -2.364 10.096 1.00 0.35 H new ATOM 0 HG3 GLU A 28 3.393 -3.712 11.213 1.00 0.35 H new ATOM 464 N GLY A 29 8.344 -2.823 9.769 1.00 0.39 N ATOM 465 CA GLY A 29 9.746 -3.119 9.997 1.00 0.45 C ATOM 466 C GLY A 29 10.288 -4.148 9.019 1.00 0.40 C ATOM 467 O GLY A 29 11.441 -4.565 9.126 1.00 0.44 O ATOM 0 H GLY A 29 8.161 -1.942 9.289 1.00 0.39 H new ATOM 0 HA2 GLY A 29 10.327 -2.200 9.912 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.876 -3.486 11.015 1.00 0.45 H new ATOM 471 N ASP A 30 9.448 -4.574 8.077 1.00 0.34 N ATOM 472 CA ASP A 30 9.843 -5.579 7.096 1.00 0.31 C ATOM 473 C ASP A 30 10.203 -4.948 5.758 1.00 0.25 C ATOM 474 O ASP A 30 9.718 -3.870 5.414 1.00 0.24 O ATOM 475 CB ASP A 30 8.714 -6.590 6.897 1.00 0.31 C ATOM 476 CG ASP A 30 9.206 -7.895 6.304 1.00 0.91 C ATOM 477 OD1 ASP A 30 9.626 -8.779 7.079 1.00 1.36 O ATOM 478 OD2 ASP A 30 9.171 -8.034 5.063 1.00 1.27 O ATOM 0 H ASP A 30 8.490 -4.238 7.974 1.00 0.34 H new ATOM 0 HA ASP A 30 10.728 -6.085 7.481 1.00 0.31 H new ATOM 0 HB2 ASP A 30 8.234 -6.788 7.855 1.00 0.31 H new ATOM 0 HB3 ASP A 30 7.956 -6.160 6.243 1.00 0.31 H new ATOM 483 N THR A 31 11.049 -5.639 5.002 1.00 0.23 N ATOM 484 CA THR A 31 11.467 -5.163 3.693 1.00 0.18 C ATOM 485 C THR A 31 10.673 -5.858 2.594 1.00 0.18 C ATOM 486 O THR A 31 10.249 -7.003 2.751 1.00 0.30 O ATOM 487 CB THR A 31 12.969 -5.397 3.456 1.00 0.19 C ATOM 488 OG1 THR A 31 13.719 -4.964 4.598 1.00 0.31 O ATOM 489 CG2 THR A 31 13.441 -4.650 2.219 1.00 0.30 C ATOM 0 H THR A 31 11.458 -6.532 5.276 1.00 0.23 H new ATOM 0 HA THR A 31 11.275 -4.090 3.665 1.00 0.18 H new ATOM 0 HB THR A 31 13.130 -6.464 3.301 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.674 -5.118 4.440 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.506 -4.829 2.070 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.888 -5.002 1.348 1.00 0.30 H new ATOM 0 HG23 THR A 31 13.268 -3.582 2.351 1.00 0.30 H new ATOM 497 N VAL A 32 10.468 -5.159 1.486 1.00 0.14 N ATOM 498 CA VAL A 32 9.713 -5.708 0.366 1.00 0.14 C ATOM 499 C VAL A 32 10.634 -6.143 -0.765 1.00 0.14 C ATOM 500 O VAL A 32 11.774 -5.690 -0.858 1.00 0.18 O ATOM 501 CB VAL A 32 8.671 -4.711 -0.201 1.00 0.20 C ATOM 502 CG1 VAL A 32 7.270 -5.216 0.070 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.846 -3.303 0.366 1.00 0.18 C ATOM 0 H VAL A 32 10.813 -4.211 1.338 1.00 0.14 H new ATOM 0 HA VAL A 32 9.183 -6.572 0.767 1.00 0.14 H new ATOM 0 HB VAL A 32 8.834 -4.646 -1.277 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.544 -4.509 -0.332 1.00 0.28 H new ATOM 0 HG12 VAL A 32 7.134 -6.186 -0.408 1.00 0.28 H new ATOM 0 HG13 VAL A 32 7.121 -5.317 1.145 1.00 0.28 H new ATOM 0 HG21 VAL A 32 8.092 -2.642 -0.062 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.731 -3.330 1.450 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.839 -2.931 0.116 1.00 0.18 H new ATOM 513 N SER A 33 10.116 -7.020 -1.624 1.00 0.23 N ATOM 514 CA SER A 33 10.866 -7.529 -2.767 1.00 0.31 C ATOM 515 C SER A 33 9.975 -7.579 -4.006 1.00 0.33 C ATOM 516 O SER A 33 8.749 -7.544 -3.900 1.00 0.35 O ATOM 517 CB SER A 33 11.416 -8.924 -2.465 1.00 0.38 C ATOM 518 OG SER A 33 12.722 -8.853 -1.918 1.00 1.42 O ATOM 0 H SER A 33 9.170 -7.395 -1.547 1.00 0.23 H new ATOM 0 HA SER A 33 11.701 -6.855 -2.959 1.00 0.31 H new ATOM 0 HB2 SER A 33 10.754 -9.435 -1.767 1.00 0.38 H new ATOM 0 HB3 SER A 33 11.434 -9.517 -3.380 1.00 0.38 H new ATOM 0 HG SER A 33 13.049 -9.758 -1.733 1.00 1.42 H new ATOM 524 N GLN A 34 10.594 -7.657 -5.180 1.00 0.37 N ATOM 525 CA GLN A 34 9.848 -7.707 -6.434 1.00 0.41 C ATOM 526 C GLN A 34 8.817 -8.833 -6.423 1.00 0.43 C ATOM 527 O GLN A 34 7.836 -8.795 -7.166 1.00 0.52 O ATOM 528 CB GLN A 34 10.804 -7.892 -7.614 1.00 0.44 C ATOM 529 CG GLN A 34 10.276 -7.322 -8.920 1.00 0.76 C ATOM 530 CD GLN A 34 10.841 -8.031 -10.136 1.00 1.54 C ATOM 531 OE1 GLN A 34 11.831 -7.591 -10.721 1.00 2.38 O ATOM 532 NE2 GLN A 34 10.213 -9.135 -10.522 1.00 1.72 N ATOM 0 H GLN A 34 11.608 -7.687 -5.290 1.00 0.37 H new ATOM 0 HA GLN A 34 9.319 -6.760 -6.543 1.00 0.41 H new ATOM 0 HB2 GLN A 34 11.756 -7.416 -7.378 1.00 0.44 H new ATOM 0 HB3 GLN A 34 11.004 -8.955 -7.746 1.00 0.44 H new ATOM 0 HG2 GLN A 34 9.189 -7.398 -8.932 1.00 0.76 H new ATOM 0 HG3 GLN A 34 10.522 -6.262 -8.975 1.00 0.76 H new ATOM 0 HE21 GLN A 34 9.396 -9.463 -10.007 1.00 1.72 H new ATOM 0 HE22 GLN A 34 10.548 -9.655 -11.333 1.00 1.72 H new ATOM 541 N PHE A 35 9.048 -9.837 -5.583 1.00 0.43 N ATOM 542 CA PHE A 35 8.140 -10.977 -5.486 1.00 0.48 C ATOM 543 C PHE A 35 7.215 -10.857 -4.275 1.00 0.43 C ATOM 544 O PHE A 35 6.184 -11.526 -4.207 1.00 0.47 O ATOM 545 CB PHE A 35 8.937 -12.279 -5.402 1.00 0.58 C ATOM 546 CG PHE A 35 8.432 -13.355 -6.321 1.00 0.99 C ATOM 547 CD1 PHE A 35 7.441 -14.231 -5.906 1.00 1.86 C ATOM 548 CD2 PHE A 35 8.950 -13.491 -7.598 1.00 1.12 C ATOM 549 CE1 PHE A 35 6.976 -15.223 -6.749 1.00 2.52 C ATOM 550 CE2 PHE A 35 8.489 -14.480 -8.446 1.00 1.64 C ATOM 551 CZ PHE A 35 7.501 -15.348 -8.021 1.00 2.31 C ATOM 0 H PHE A 35 9.854 -9.885 -4.960 1.00 0.43 H new ATOM 0 HA PHE A 35 7.522 -10.985 -6.384 1.00 0.48 H new ATOM 0 HB2 PHE A 35 9.981 -12.072 -5.638 1.00 0.58 H new ATOM 0 HB3 PHE A 35 8.909 -12.647 -4.376 1.00 0.58 H new ATOM 0 HD1 PHE A 35 7.027 -14.137 -4.913 1.00 1.86 H new ATOM 0 HD2 PHE A 35 9.723 -12.816 -7.935 1.00 1.12 H new ATOM 0 HE1 PHE A 35 6.204 -15.899 -6.414 1.00 2.52 H new ATOM 0 HE2 PHE A 35 8.900 -14.575 -9.440 1.00 1.64 H new ATOM 0 HZ PHE A 35 7.140 -16.122 -8.682 1.00 2.31 H new ATOM 561 N ASP A 36 7.588 -10.010 -3.320 1.00 0.36 N ATOM 562 CA ASP A 36 6.785 -9.821 -2.116 1.00 0.34 C ATOM 563 C ASP A 36 5.967 -8.534 -2.191 1.00 0.25 C ATOM 564 O ASP A 36 6.426 -7.470 -1.774 1.00 0.21 O ATOM 565 CB ASP A 36 7.684 -9.797 -0.879 1.00 0.41 C ATOM 566 CG ASP A 36 7.884 -11.177 -0.283 1.00 0.76 C ATOM 567 OD1 ASP A 36 6.943 -11.995 -0.353 1.00 1.69 O ATOM 568 OD2 ASP A 36 8.981 -11.438 0.254 1.00 0.84 O ATOM 0 H ASP A 36 8.437 -9.446 -3.356 1.00 0.36 H new ATOM 0 HA ASP A 36 6.092 -10.659 -2.041 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.653 -9.375 -1.146 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.246 -9.140 -0.128 1.00 0.41 H new ATOM 573 N SER A 37 4.750 -8.641 -2.717 1.00 0.26 N ATOM 574 CA SER A 37 3.862 -7.489 -2.837 1.00 0.21 C ATOM 575 C SER A 37 3.565 -6.897 -1.464 1.00 0.23 C ATOM 576 O SER A 37 3.725 -7.569 -0.445 1.00 0.28 O ATOM 577 CB SER A 37 2.557 -7.895 -3.522 1.00 0.25 C ATOM 578 OG SER A 37 2.155 -9.193 -3.123 1.00 0.94 O ATOM 0 H SER A 37 4.356 -9.514 -3.067 1.00 0.26 H new ATOM 0 HA SER A 37 4.361 -6.733 -3.443 1.00 0.21 H new ATOM 0 HB2 SER A 37 1.775 -7.177 -3.276 1.00 0.25 H new ATOM 0 HB3 SER A 37 2.686 -7.867 -4.604 1.00 0.25 H new ATOM 0 HG SER A 37 1.317 -9.429 -3.573 1.00 0.94 H new ATOM 584 N ILE A 38 3.131 -5.639 -1.436 1.00 0.22 N ATOM 585 CA ILE A 38 2.818 -4.978 -0.174 1.00 0.27 C ATOM 586 C ILE A 38 1.348 -5.164 0.197 1.00 0.27 C ATOM 587 O ILE A 38 1.008 -6.047 0.991 1.00 0.27 O ATOM 588 CB ILE A 38 3.168 -3.471 -0.217 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.671 -3.299 -0.461 1.00 0.36 C ATOM 590 CG2 ILE A 38 2.748 -2.779 1.079 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.175 -1.888 -0.244 1.00 0.47 C ATOM 0 H ILE A 38 2.989 -5.062 -2.265 1.00 0.22 H new ATOM 0 HA ILE A 38 3.433 -5.448 0.593 1.00 0.27 H new ATOM 0 HB ILE A 38 2.620 -3.004 -1.036 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.215 -3.973 0.200 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.899 -3.602 -1.483 1.00 0.36 H new ATOM 0 HG21 ILE A 38 3.004 -1.721 1.026 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.672 -2.886 1.216 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.268 -3.236 1.921 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.247 -1.851 -0.437 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.660 -1.209 -0.924 1.00 0.47 H new ATOM 0 HD13 ILE A 38 4.981 -1.587 0.785 1.00 0.47 H new ATOM 603 N CYS A 39 0.483 -4.331 -0.376 1.00 0.32 N ATOM 604 CA CYS A 39 -0.944 -4.404 -0.096 1.00 0.34 C ATOM 605 C CYS A 39 -1.744 -4.745 -1.350 1.00 0.40 C ATOM 606 O CYS A 39 -1.391 -4.338 -2.457 1.00 0.55 O ATOM 607 CB CYS A 39 -1.433 -3.076 0.485 1.00 0.40 C ATOM 608 SG CYS A 39 -1.534 -1.729 -0.718 1.00 1.29 S ATOM 0 H CYS A 39 0.747 -3.599 -1.036 1.00 0.32 H new ATOM 0 HA CYS A 39 -1.100 -5.201 0.631 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -2.418 -3.227 0.927 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -0.764 -2.777 1.292 1.00 0.40 H new ATOM 0 HG CYS A 39 -1.677 -0.598 -0.093 1.00 1.29 H new ATOM 614 N GLU A 40 -2.830 -5.484 -1.160 1.00 0.36 N ATOM 615 CA GLU A 40 -3.702 -5.875 -2.261 1.00 0.44 C ATOM 616 C GLU A 40 -5.161 -5.694 -1.861 1.00 0.48 C ATOM 617 O GLU A 40 -5.574 -6.136 -0.792 1.00 0.50 O ATOM 618 CB GLU A 40 -3.441 -7.330 -2.657 1.00 0.57 C ATOM 619 CG GLU A 40 -3.664 -7.608 -4.134 1.00 1.15 C ATOM 620 CD GLU A 40 -4.522 -8.835 -4.373 1.00 1.65 C ATOM 621 OE1 GLU A 40 -5.740 -8.770 -4.102 1.00 2.37 O ATOM 622 OE2 GLU A 40 -3.977 -9.861 -4.833 1.00 1.74 O ATOM 0 H GLU A 40 -3.129 -5.827 -0.247 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.488 -5.238 -3.119 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -2.415 -7.590 -2.398 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -4.092 -7.979 -2.071 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -4.138 -6.742 -4.595 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -2.700 -7.742 -4.624 1.00 1.15 H new ATOM 629 N VAL A 41 -5.937 -5.033 -2.711 1.00 0.55 N ATOM 630 CA VAL A 41 -7.344 -4.794 -2.416 1.00 0.64 C ATOM 631 C VAL A 41 -8.243 -5.222 -3.570 1.00 0.92 C ATOM 632 O VAL A 41 -7.820 -5.248 -4.726 1.00 1.08 O ATOM 633 CB VAL A 41 -7.605 -3.311 -2.099 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.771 -2.865 -0.907 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.316 -2.446 -3.316 1.00 1.32 C ATOM 0 H VAL A 41 -5.619 -4.655 -3.604 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.583 -5.397 -1.540 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.657 -3.193 -1.841 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -6.969 -1.814 -0.698 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -7.033 -3.464 -0.035 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.713 -2.997 -1.133 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.506 -1.401 -3.073 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.273 -2.567 -3.609 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.961 -2.750 -4.140 1.00 1.32 H new ATOM 645 N GLN A 42 -9.487 -5.557 -3.243 1.00 1.03 N ATOM 646 CA GLN A 42 -10.455 -5.986 -4.246 1.00 1.34 C ATOM 647 C GLN A 42 -11.831 -5.389 -3.964 1.00 1.39 C ATOM 648 O GLN A 42 -12.401 -5.597 -2.894 1.00 1.38 O ATOM 649 CB GLN A 42 -10.544 -7.513 -4.274 1.00 1.58 C ATOM 650 CG GLN A 42 -9.286 -8.188 -4.796 1.00 1.80 C ATOM 651 CD GLN A 42 -9.522 -8.933 -6.095 1.00 2.17 C ATOM 652 OE1 GLN A 42 -10.641 -8.974 -6.606 1.00 2.33 O ATOM 653 NE2 GLN A 42 -8.466 -9.530 -6.637 1.00 2.60 N ATOM 0 H GLN A 42 -9.849 -5.540 -2.289 1.00 1.03 H new ATOM 0 HA GLN A 42 -10.118 -5.630 -5.219 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.749 -7.875 -3.266 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -11.389 -7.808 -4.896 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -8.511 -7.437 -4.948 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.913 -8.884 -4.045 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -7.556 -9.471 -6.180 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -8.565 -10.048 -7.510 1.00 2.60 H new ATOM 662 N SER A 43 -12.357 -4.646 -4.933 1.00 1.55 N ATOM 663 CA SER A 43 -13.666 -4.018 -4.790 1.00 1.64 C ATOM 664 C SER A 43 -14.593 -4.427 -5.931 1.00 2.05 C ATOM 665 O SER A 43 -14.135 -4.775 -7.019 1.00 2.29 O ATOM 666 CB SER A 43 -13.522 -2.496 -4.755 1.00 1.43 C ATOM 667 OG SER A 43 -13.058 -1.999 -5.998 1.00 1.73 O ATOM 0 H SER A 43 -11.897 -4.464 -5.825 1.00 1.55 H new ATOM 0 HA SER A 43 -14.104 -4.357 -3.851 1.00 1.64 H new ATOM 0 HB2 SER A 43 -14.483 -2.042 -4.514 1.00 1.43 H new ATOM 0 HB3 SER A 43 -12.828 -2.211 -3.964 1.00 1.43 H new ATOM 0 HG SER A 43 -12.663 -2.731 -6.516 1.00 1.73 H new ATOM 673 N ASP A 44 -15.899 -4.382 -5.678 1.00 2.23 N ATOM 674 CA ASP A 44 -16.891 -4.749 -6.688 1.00 2.66 C ATOM 675 C ASP A 44 -16.574 -4.102 -8.033 1.00 2.80 C ATOM 676 O ASP A 44 -16.624 -4.755 -9.075 1.00 3.14 O ATOM 677 CB ASP A 44 -18.291 -4.337 -6.230 1.00 2.85 C ATOM 678 CG ASP A 44 -19.332 -5.398 -6.529 1.00 3.67 C ATOM 679 OD1 ASP A 44 -19.546 -5.701 -7.722 1.00 4.39 O ATOM 680 OD2 ASP A 44 -19.933 -5.927 -5.570 1.00 3.89 O ATOM 0 H ASP A 44 -16.296 -4.095 -4.783 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.857 -5.831 -6.812 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -18.276 -4.138 -5.158 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -18.572 -3.406 -6.723 1.00 2.85 H new ATOM 685 N LYS A 45 -16.245 -2.815 -8.000 1.00 2.69 N ATOM 686 CA LYS A 45 -15.916 -2.079 -9.216 1.00 2.92 C ATOM 687 C LYS A 45 -14.717 -2.708 -9.919 1.00 3.03 C ATOM 688 O LYS A 45 -14.848 -3.277 -11.003 1.00 3.65 O ATOM 689 CB LYS A 45 -15.624 -0.614 -8.885 1.00 2.89 C ATOM 690 CG LYS A 45 -15.095 0.184 -10.065 1.00 2.98 C ATOM 691 CD LYS A 45 -15.422 1.663 -9.932 1.00 3.17 C ATOM 692 CE LYS A 45 -14.172 2.489 -9.675 1.00 3.22 C ATOM 693 NZ LYS A 45 -13.225 2.437 -10.823 1.00 3.62 N ATOM 0 H LYS A 45 -16.199 -2.260 -7.145 1.00 2.69 H new ATOM 0 HA LYS A 45 -16.773 -2.125 -9.888 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -16.537 -0.144 -8.520 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -14.897 -0.572 -8.074 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -14.015 0.055 -10.138 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -15.525 -0.203 -10.989 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -15.909 2.012 -10.842 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -16.130 1.808 -9.116 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -14.454 3.524 -9.484 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -13.674 2.124 -8.777 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -12.640 3.297 -10.830 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -12.612 1.602 -10.730 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -13.761 2.376 -11.712 1.00 3.62 H new ATOM 707 N ALA A 46 -13.550 -2.602 -9.293 1.00 2.58 N ATOM 708 CA ALA A 46 -12.326 -3.162 -9.854 1.00 2.82 C ATOM 709 C ALA A 46 -11.373 -3.607 -8.750 1.00 2.68 C ATOM 710 O ALA A 46 -11.416 -3.090 -7.634 1.00 2.63 O ATOM 711 CB ALA A 46 -11.650 -2.148 -10.764 1.00 2.83 C ATOM 0 H ALA A 46 -13.426 -2.133 -8.396 1.00 2.58 H new ATOM 0 HA ALA A 46 -12.592 -4.039 -10.444 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -10.738 -2.580 -11.176 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -12.325 -1.882 -11.578 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -11.402 -1.254 -10.192 1.00 2.83 H new ATOM 717 N SER A 47 -10.511 -4.569 -9.067 1.00 2.96 N ATOM 718 CA SER A 47 -9.548 -5.081 -8.098 1.00 2.92 C ATOM 719 C SER A 47 -8.177 -4.451 -8.316 1.00 2.26 C ATOM 720 O SER A 47 -7.658 -4.440 -9.432 1.00 2.31 O ATOM 721 CB SER A 47 -9.446 -6.603 -8.205 1.00 3.72 C ATOM 722 OG SER A 47 -9.621 -7.034 -9.543 1.00 4.52 O ATOM 0 H SER A 47 -10.460 -5.009 -9.986 1.00 2.96 H new ATOM 0 HA SER A 47 -9.896 -4.818 -7.099 1.00 2.92 H new ATOM 0 HB2 SER A 47 -8.474 -6.932 -7.838 1.00 3.72 H new ATOM 0 HB3 SER A 47 -10.200 -7.067 -7.569 1.00 3.72 H new ATOM 0 HG SER A 47 -9.549 -8.011 -9.584 1.00 4.52 H new ATOM 728 N VAL A 48 -7.598 -3.920 -7.244 1.00 2.12 N ATOM 729 CA VAL A 48 -6.291 -3.280 -7.323 1.00 1.80 C ATOM 730 C VAL A 48 -5.236 -4.072 -6.558 1.00 1.55 C ATOM 731 O VAL A 48 -5.475 -4.526 -5.439 1.00 1.97 O ATOM 732 CB VAL A 48 -6.331 -1.840 -6.771 1.00 2.53 C ATOM 733 CG1 VAL A 48 -5.158 -1.032 -7.303 1.00 2.98 C ATOM 734 CG2 VAL A 48 -7.651 -1.163 -7.116 1.00 3.50 C ATOM 0 H VAL A 48 -8.013 -3.920 -6.312 1.00 2.12 H new ATOM 0 HA VAL A 48 -6.024 -3.251 -8.379 1.00 1.80 H new ATOM 0 HB VAL A 48 -6.250 -1.889 -5.685 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -5.203 -0.019 -6.903 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -4.224 -1.502 -6.997 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -5.206 -0.995 -8.391 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -7.655 -0.149 -6.716 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -7.769 -1.127 -8.199 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -8.475 -1.728 -6.680 1.00 3.50 H new ATOM 744 N THR A 49 -4.067 -4.226 -7.169 1.00 1.13 N ATOM 745 CA THR A 49 -2.964 -4.953 -6.551 1.00 0.98 C ATOM 746 C THR A 49 -1.696 -4.107 -6.557 1.00 0.69 C ATOM 747 O THR A 49 -1.317 -3.553 -7.589 1.00 0.71 O ATOM 748 CB THR A 49 -2.686 -6.282 -7.279 1.00 1.22 C ATOM 749 OG1 THR A 49 -2.467 -6.041 -8.674 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.846 -7.251 -7.105 1.00 1.46 C ATOM 0 H THR A 49 -3.858 -3.855 -8.096 1.00 1.13 H new ATOM 0 HA THR A 49 -3.256 -5.171 -5.524 1.00 0.98 H new ATOM 0 HB THR A 49 -1.793 -6.728 -6.841 1.00 1.22 H new ATOM 0 HG1 THR A 49 -2.003 -5.186 -8.789 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.625 -8.181 -7.628 1.00 1.46 H new ATOM 0 HG22 THR A 49 -3.992 -7.457 -6.045 1.00 1.46 H new ATOM 0 HG23 THR A 49 -4.754 -6.810 -7.517 1.00 1.46 H new ATOM 758 N ILE A 50 -1.047 -4.002 -5.403 1.00 0.66 N ATOM 759 CA ILE A 50 0.172 -3.212 -5.293 1.00 0.49 C ATOM 760 C ILE A 50 1.411 -4.097 -5.224 1.00 0.37 C ATOM 761 O ILE A 50 1.694 -4.717 -4.196 1.00 0.36 O ATOM 762 CB ILE A 50 0.139 -2.300 -4.052 1.00 0.66 C ATOM 763 CG1 ILE A 50 -1.130 -1.450 -4.056 1.00 0.95 C ATOM 764 CG2 ILE A 50 1.376 -1.415 -4.011 1.00 0.78 C ATOM 765 CD1 ILE A 50 -1.256 -0.561 -5.274 1.00 1.01 C ATOM 0 H ILE A 50 -1.343 -4.451 -4.536 1.00 0.66 H new ATOM 0 HA ILE A 50 0.224 -2.597 -6.191 1.00 0.49 H new ATOM 0 HB ILE A 50 0.135 -2.924 -3.159 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -1.998 -2.107 -4.004 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -1.145 -0.830 -3.160 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.338 -0.777 -3.128 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.269 -2.039 -3.969 1.00 0.78 H new ATOM 0 HG23 ILE A 50 1.409 -0.794 -4.906 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -2.180 0.014 -5.211 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -0.406 0.121 -5.316 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -1.273 -1.176 -6.173 1.00 1.01 H new ATOM 777 N THR A 51 2.157 -4.134 -6.323 1.00 0.41 N ATOM 778 CA THR A 51 3.376 -4.924 -6.390 1.00 0.44 C ATOM 779 C THR A 51 4.546 -4.134 -5.824 1.00 0.40 C ATOM 780 O THR A 51 4.382 -2.994 -5.389 1.00 0.50 O ATOM 781 CB THR A 51 3.707 -5.344 -7.835 1.00 0.56 C ATOM 782 OG1 THR A 51 4.089 -4.198 -8.605 1.00 0.79 O ATOM 783 CG2 THR A 51 2.515 -6.025 -8.489 1.00 1.04 C ATOM 0 H THR A 51 1.937 -3.625 -7.179 1.00 0.41 H new ATOM 0 HA THR A 51 3.210 -5.824 -5.798 1.00 0.44 H new ATOM 0 HB THR A 51 4.536 -6.051 -7.801 1.00 0.56 H new ATOM 0 HG1 THR A 51 4.299 -4.475 -9.521 1.00 0.79 H new ATOM 0 HG21 THR A 51 2.774 -6.312 -9.508 1.00 1.04 H new ATOM 0 HG22 THR A 51 2.246 -6.914 -7.919 1.00 1.04 H new ATOM 0 HG23 THR A 51 1.669 -5.338 -8.509 1.00 1.04 H new ATOM 791 N SER A 52 5.725 -4.738 -5.829 1.00 0.49 N ATOM 792 CA SER A 52 6.909 -4.073 -5.311 1.00 0.56 C ATOM 793 C SER A 52 7.690 -3.390 -6.429 1.00 0.56 C ATOM 794 O SER A 52 7.825 -2.169 -6.437 1.00 0.66 O ATOM 795 CB SER A 52 7.806 -5.072 -4.577 1.00 0.63 C ATOM 796 OG SER A 52 7.070 -5.810 -3.616 1.00 1.36 O ATOM 0 H SER A 52 5.886 -5.681 -6.184 1.00 0.49 H new ATOM 0 HA SER A 52 6.582 -3.308 -4.607 1.00 0.56 H new ATOM 0 HB2 SER A 52 8.259 -5.755 -5.296 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.621 -4.541 -4.086 1.00 0.63 H new ATOM 0 HG SER A 52 7.633 -6.523 -3.250 1.00 1.36 H new ATOM 802 N ARG A 53 8.215 -4.190 -7.359 1.00 0.54 N ATOM 803 CA ARG A 53 9.004 -3.671 -8.480 1.00 0.63 C ATOM 804 C ARG A 53 10.429 -3.300 -8.035 1.00 0.58 C ATOM 805 O ARG A 53 11.253 -2.883 -8.848 1.00 0.68 O ATOM 806 CB ARG A 53 8.281 -2.472 -9.139 1.00 0.83 C ATOM 807 CG ARG A 53 8.731 -1.087 -8.668 1.00 1.39 C ATOM 808 CD ARG A 53 9.610 -0.376 -9.693 1.00 2.19 C ATOM 809 NE ARG A 53 10.332 -1.302 -10.572 1.00 2.73 N ATOM 810 CZ ARG A 53 9.961 -1.611 -11.818 1.00 3.54 C ATOM 811 NH1 ARG A 53 8.831 -1.138 -12.333 1.00 4.04 N ATOM 812 NH2 ARG A 53 10.717 -2.420 -12.547 1.00 4.23 N ATOM 0 H ARG A 53 8.108 -5.204 -7.358 1.00 0.54 H new ATOM 0 HA ARG A 53 9.098 -4.459 -9.228 1.00 0.63 H new ATOM 0 HB2 ARG A 53 8.424 -2.533 -10.218 1.00 0.83 H new ATOM 0 HB3 ARG A 53 7.211 -2.569 -8.953 1.00 0.83 H new ATOM 0 HG2 ARG A 53 7.853 -0.475 -8.461 1.00 1.39 H new ATOM 0 HG3 ARG A 53 9.279 -1.186 -7.731 1.00 1.39 H new ATOM 0 HD2 ARG A 53 8.989 0.283 -10.300 1.00 2.19 H new ATOM 0 HD3 ARG A 53 10.329 0.255 -9.171 1.00 2.19 H new ATOM 0 HE ARG A 53 11.177 -1.741 -10.206 1.00 2.73 H new ATOM 0 HH11 ARG A 53 8.232 -0.529 -11.775 1.00 4.04 H new ATOM 0 HH12 ARG A 53 8.563 -1.384 -13.286 1.00 4.04 H new ATOM 0 HH21 ARG A 53 11.578 -2.804 -12.156 1.00 4.23 H new ATOM 0 HH22 ARG A 53 10.438 -2.659 -13.499 1.00 4.23 H new ATOM 826 N TYR A 54 10.706 -3.454 -6.741 1.00 0.45 N ATOM 827 CA TYR A 54 12.008 -3.139 -6.180 1.00 0.41 C ATOM 828 C TYR A 54 12.020 -3.515 -4.706 1.00 0.31 C ATOM 829 O TYR A 54 10.982 -3.874 -4.149 1.00 0.28 O ATOM 830 CB TYR A 54 12.330 -1.654 -6.357 1.00 0.50 C ATOM 831 CG TYR A 54 13.412 -1.396 -7.381 1.00 1.15 C ATOM 832 CD1 TYR A 54 14.736 -1.722 -7.116 1.00 1.89 C ATOM 833 CD2 TYR A 54 13.108 -0.834 -8.614 1.00 1.77 C ATOM 834 CE1 TYR A 54 15.727 -1.493 -8.051 1.00 2.72 C ATOM 835 CE2 TYR A 54 14.093 -0.603 -9.555 1.00 2.59 C ATOM 836 CZ TYR A 54 15.400 -0.934 -9.269 1.00 2.95 C ATOM 837 OH TYR A 54 16.384 -0.708 -10.204 1.00 3.88 O ATOM 0 H TYR A 54 10.032 -3.800 -6.058 1.00 0.45 H new ATOM 0 HA TYR A 54 12.773 -3.710 -6.706 1.00 0.41 H new ATOM 0 HB2 TYR A 54 11.424 -1.126 -6.654 1.00 0.50 H new ATOM 0 HB3 TYR A 54 12.640 -1.240 -5.398 1.00 0.50 H new ATOM 0 HD1 TYR A 54 14.995 -2.161 -6.164 1.00 1.89 H new ATOM 0 HD2 TYR A 54 12.085 -0.573 -8.841 1.00 1.77 H new ATOM 0 HE1 TYR A 54 16.752 -1.750 -7.829 1.00 2.72 H new ATOM 0 HE2 TYR A 54 13.840 -0.165 -10.509 1.00 2.59 H new ATOM 0 HH TYR A 54 15.987 -0.311 -11.007 1.00 3.88 H new ATOM 847 N ASP A 55 13.177 -3.437 -4.070 1.00 0.30 N ATOM 848 CA ASP A 55 13.263 -3.780 -2.656 1.00 0.24 C ATOM 849 C ASP A 55 13.204 -2.525 -1.799 1.00 0.23 C ATOM 850 O ASP A 55 13.985 -1.592 -1.985 1.00 0.28 O ATOM 851 CB ASP A 55 14.531 -4.585 -2.335 1.00 0.28 C ATOM 852 CG ASP A 55 15.651 -4.375 -3.339 1.00 1.01 C ATOM 853 OD1 ASP A 55 15.553 -4.918 -4.459 1.00 1.52 O ATOM 854 OD2 ASP A 55 16.624 -3.668 -3.003 1.00 1.33 O ATOM 0 H ASP A 55 14.056 -3.145 -4.498 1.00 0.30 H new ATOM 0 HA ASP A 55 12.406 -4.412 -2.423 1.00 0.24 H new ATOM 0 HB2 ASP A 55 14.886 -4.308 -1.343 1.00 0.28 H new ATOM 0 HB3 ASP A 55 14.280 -5.645 -2.299 1.00 0.28 H new ATOM 859 N GLY A 56 12.254 -2.504 -0.867 1.00 0.18 N ATOM 860 CA GLY A 56 12.094 -1.347 -0.007 1.00 0.18 C ATOM 861 C GLY A 56 11.853 -1.708 1.444 1.00 0.15 C ATOM 862 O GLY A 56 11.533 -2.850 1.764 1.00 0.15 O ATOM 0 H GLY A 56 11.596 -3.264 -0.694 1.00 0.18 H new ATOM 0 HA2 GLY A 56 12.987 -0.725 -0.076 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.259 -0.747 -0.368 1.00 0.18 H new ATOM 866 N VAL A 57 12.018 -0.727 2.325 1.00 0.18 N ATOM 867 CA VAL A 57 11.830 -0.946 3.759 1.00 0.21 C ATOM 868 C VAL A 57 10.477 -0.429 4.248 1.00 0.22 C ATOM 869 O VAL A 57 10.207 0.768 4.194 1.00 0.26 O ATOM 870 CB VAL A 57 12.952 -0.267 4.576 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.718 -0.432 6.073 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.310 -0.825 4.180 1.00 1.11 C ATOM 0 H VAL A 57 12.281 0.226 2.074 1.00 0.18 H new ATOM 0 HA VAL A 57 11.865 -2.025 3.912 1.00 0.21 H new ATOM 0 HB VAL A 57 12.936 0.799 4.351 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.523 0.056 6.623 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.765 0.023 6.345 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.698 -1.493 6.323 1.00 1.06 H new ATOM 0 HG21 VAL A 57 15.089 -0.336 4.765 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.332 -1.898 4.371 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.484 -0.642 3.120 1.00 1.11 H new ATOM 882 N ILE A 58 9.648 -1.340 4.758 1.00 0.21 N ATOM 883 CA ILE A 58 8.334 -0.981 5.291 1.00 0.24 C ATOM 884 C ILE A 58 8.409 -0.873 6.810 1.00 0.33 C ATOM 885 O ILE A 58 8.781 -1.835 7.492 1.00 0.38 O ATOM 886 CB ILE A 58 7.267 -2.018 4.897 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.335 -2.285 3.398 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.875 -1.539 5.283 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.494 -3.459 2.960 1.00 0.17 C ATOM 0 H ILE A 58 9.864 -2.335 4.813 1.00 0.21 H new ATOM 0 HA ILE A 58 8.046 -0.020 4.865 1.00 0.24 H new ATOM 0 HB ILE A 58 7.468 -2.944 5.436 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.008 -1.394 2.862 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.372 -2.465 3.115 1.00 0.20 H new ATOM 0 HG21 ILE A 58 5.139 -2.289 4.994 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.830 -1.383 6.361 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.658 -0.602 4.771 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.589 -3.593 1.882 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.835 -4.361 3.469 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.450 -3.273 3.212 1.00 0.17 H new ATOM 901 N LYS A 59 8.103 0.317 7.328 1.00 0.40 N ATOM 902 CA LYS A 59 8.195 0.569 8.766 1.00 0.53 C ATOM 903 C LYS A 59 6.836 0.628 9.477 1.00 0.52 C ATOM 904 O LYS A 59 6.773 0.421 10.690 1.00 0.61 O ATOM 905 CB LYS A 59 8.971 1.871 9.003 1.00 0.65 C ATOM 906 CG LYS A 59 8.950 2.357 10.445 1.00 0.83 C ATOM 907 CD LYS A 59 10.197 3.159 10.782 1.00 1.03 C ATOM 908 CE LYS A 59 11.124 2.386 11.706 1.00 1.51 C ATOM 909 NZ LYS A 59 11.581 1.108 11.094 1.00 2.14 N ATOM 0 H LYS A 59 7.791 1.117 6.777 1.00 0.40 H new ATOM 0 HA LYS A 59 8.721 -0.281 9.200 1.00 0.53 H new ATOM 0 HB2 LYS A 59 10.007 1.724 8.696 1.00 0.65 H new ATOM 0 HB3 LYS A 59 8.556 2.650 8.363 1.00 0.65 H new ATOM 0 HG2 LYS A 59 8.065 2.972 10.610 1.00 0.83 H new ATOM 0 HG3 LYS A 59 8.874 1.502 11.117 1.00 0.83 H new ATOM 0 HD2 LYS A 59 10.726 3.414 9.864 1.00 1.03 H new ATOM 0 HD3 LYS A 59 9.910 4.098 11.255 1.00 1.03 H new ATOM 0 HE2 LYS A 59 11.990 3.002 11.949 1.00 1.51 H new ATOM 0 HE3 LYS A 59 10.609 2.176 12.643 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 12.263 0.644 11.727 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 10.764 0.482 10.947 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 12.035 1.304 10.179 1.00 2.14 H new ATOM 923 N LYS A 60 5.755 0.929 8.760 1.00 0.44 N ATOM 924 CA LYS A 60 4.442 1.022 9.411 1.00 0.45 C ATOM 925 C LYS A 60 3.311 0.473 8.549 1.00 0.37 C ATOM 926 O LYS A 60 3.167 0.836 7.388 1.00 0.53 O ATOM 927 CB LYS A 60 4.125 2.475 9.782 1.00 0.55 C ATOM 928 CG LYS A 60 5.354 3.339 10.001 1.00 0.76 C ATOM 929 CD LYS A 60 5.892 3.878 8.687 1.00 0.51 C ATOM 930 CE LYS A 60 6.963 4.933 8.927 1.00 0.71 C ATOM 931 NZ LYS A 60 6.509 5.976 9.888 1.00 1.35 N ATOM 0 H LYS A 60 5.755 1.109 7.756 1.00 0.44 H new ATOM 0 HA LYS A 60 4.506 0.408 10.309 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.519 2.917 8.991 1.00 0.55 H new ATOM 0 HB3 LYS A 60 3.521 2.484 10.689 1.00 0.55 H new ATOM 0 HG2 LYS A 60 5.104 4.169 10.662 1.00 0.76 H new ATOM 0 HG3 LYS A 60 6.127 2.755 10.501 1.00 0.76 H new ATOM 0 HD2 LYS A 60 6.307 3.061 8.098 1.00 0.51 H new ATOM 0 HD3 LYS A 60 5.077 4.308 8.105 1.00 0.51 H new ATOM 0 HE2 LYS A 60 7.865 4.455 9.310 1.00 0.71 H new ATOM 0 HE3 LYS A 60 7.229 5.403 7.980 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 7.135 6.804 9.823 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 5.535 6.259 9.658 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 6.540 5.594 10.855 1.00 1.35 H new ATOM 945 N LEU A 61 2.488 -0.378 9.152 1.00 0.35 N ATOM 946 CA LEU A 61 1.338 -0.963 8.472 1.00 0.37 C ATOM 947 C LEU A 61 0.132 -0.957 9.406 1.00 0.56 C ATOM 948 O LEU A 61 0.077 -1.722 10.369 1.00 0.94 O ATOM 949 CB LEU A 61 1.649 -2.389 8.013 1.00 0.39 C ATOM 950 CG LEU A 61 2.525 -2.490 6.763 1.00 0.33 C ATOM 951 CD1 LEU A 61 3.355 -3.764 6.792 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.667 -2.437 5.510 1.00 0.91 C ATOM 0 H LEU A 61 2.598 -0.680 10.120 1.00 0.35 H new ATOM 0 HA LEU A 61 1.110 -0.366 7.589 1.00 0.37 H new ATOM 0 HB2 LEU A 61 2.143 -2.917 8.828 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.709 -2.906 7.822 1.00 0.39 H new ATOM 0 HG LEU A 61 3.207 -1.640 6.750 1.00 0.33 H new ATOM 0 HD11 LEU A 61 3.971 -3.817 5.894 1.00 1.14 H new ATOM 0 HD12 LEU A 61 3.997 -3.760 7.673 1.00 1.14 H new ATOM 0 HD13 LEU A 61 2.693 -4.629 6.829 1.00 1.14 H new ATOM 0 HD21 LEU A 61 2.305 -2.510 4.629 1.00 0.91 H new ATOM 0 HD22 LEU A 61 0.961 -3.268 5.517 1.00 0.91 H new ATOM 0 HD23 LEU A 61 1.119 -1.495 5.484 1.00 0.91 H new ATOM 964 N TYR A 62 -0.816 -0.066 9.137 1.00 0.68 N ATOM 965 CA TYR A 62 -2.004 0.067 9.976 1.00 0.88 C ATOM 966 C TYR A 62 -3.182 -0.761 9.462 1.00 0.75 C ATOM 967 O TYR A 62 -3.931 -1.336 10.252 1.00 0.87 O ATOM 968 CB TYR A 62 -2.409 1.539 10.065 1.00 1.16 C ATOM 969 CG TYR A 62 -3.470 1.815 11.107 1.00 1.24 C ATOM 970 CD1 TYR A 62 -3.124 2.063 12.430 1.00 1.81 C ATOM 971 CD2 TYR A 62 -4.818 1.827 10.768 1.00 1.55 C ATOM 972 CE1 TYR A 62 -4.090 2.314 13.385 1.00 2.35 C ATOM 973 CE2 TYR A 62 -5.790 2.078 11.718 1.00 2.07 C ATOM 974 CZ TYR A 62 -5.421 2.321 13.025 1.00 2.38 C ATOM 975 OH TYR A 62 -6.387 2.571 13.973 1.00 3.08 O ATOM 0 H TYR A 62 -0.786 0.576 8.345 1.00 0.68 H new ATOM 0 HA TYR A 62 -1.747 -0.315 10.964 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -1.526 2.137 10.291 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -2.774 1.866 9.091 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -2.083 2.059 12.716 1.00 1.81 H new ATOM 0 HD2 TYR A 62 -5.111 1.637 9.746 1.00 1.55 H new ATOM 0 HE1 TYR A 62 -3.804 2.504 14.409 1.00 2.35 H new ATOM 0 HE2 TYR A 62 -6.833 2.084 11.439 1.00 2.07 H new ATOM 0 HH TYR A 62 -7.272 2.540 13.554 1.00 3.08 H new ATOM 985 N TYR A 63 -3.359 -0.804 8.147 1.00 0.64 N ATOM 986 CA TYR A 63 -4.470 -1.547 7.557 1.00 0.62 C ATOM 987 C TYR A 63 -4.088 -2.995 7.256 1.00 0.63 C ATOM 988 O TYR A 63 -3.024 -3.267 6.700 1.00 0.73 O ATOM 989 CB TYR A 63 -4.949 -0.855 6.279 1.00 0.79 C ATOM 990 CG TYR A 63 -5.529 0.521 6.517 1.00 1.02 C ATOM 991 CD1 TYR A 63 -6.492 0.729 7.496 1.00 1.16 C ATOM 992 CD2 TYR A 63 -5.112 1.612 5.763 1.00 1.28 C ATOM 993 CE1 TYR A 63 -7.024 1.985 7.718 1.00 1.45 C ATOM 994 CE2 TYR A 63 -5.640 2.871 5.980 1.00 1.56 C ATOM 995 CZ TYR A 63 -6.595 3.052 6.958 1.00 1.60 C ATOM 996 OH TYR A 63 -7.121 4.305 7.176 1.00 1.93 O ATOM 0 H TYR A 63 -2.753 -0.337 7.472 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.280 -1.562 8.287 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.113 -0.773 5.585 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -5.702 -1.479 5.798 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -6.831 -0.104 8.094 1.00 1.16 H new ATOM 0 HD2 TYR A 63 -4.364 1.474 4.996 1.00 1.28 H new ATOM 0 HE1 TYR A 63 -7.772 2.130 8.483 1.00 1.45 H new ATOM 0 HE2 TYR A 63 -5.306 3.709 5.386 1.00 1.56 H new ATOM 0 HH TYR A 63 -6.711 4.944 6.557 1.00 1.93 H new ATOM 1006 N ASN A 64 -4.974 -3.919 7.625 1.00 0.63 N ATOM 1007 CA ASN A 64 -4.748 -5.340 7.396 1.00 0.67 C ATOM 1008 C ASN A 64 -5.751 -5.904 6.399 1.00 0.49 C ATOM 1009 O ASN A 64 -6.507 -5.170 5.764 1.00 0.47 O ATOM 1010 CB ASN A 64 -4.853 -6.128 8.700 1.00 0.93 C ATOM 1011 CG ASN A 64 -3.913 -5.611 9.770 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -4.305 -4.819 10.627 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -2.664 -6.059 9.725 1.00 1.03 N ATOM 0 H ASN A 64 -5.858 -3.704 8.086 1.00 0.63 H new ATOM 0 HA ASN A 64 -3.742 -5.441 6.990 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -5.878 -6.080 9.068 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -4.633 -7.178 8.505 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -1.985 -5.747 10.419 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -2.383 -6.715 8.996 1.00 1.03 H new ATOM 1020 N LEU A 65 -5.733 -7.223 6.277 1.00 0.54 N ATOM 1021 CA LEU A 65 -6.605 -7.945 5.374 1.00 0.54 C ATOM 1022 C LEU A 65 -8.085 -7.713 5.680 1.00 0.66 C ATOM 1023 O LEU A 65 -8.947 -7.995 4.849 1.00 0.77 O ATOM 1024 CB LEU A 65 -6.286 -9.431 5.482 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.005 -9.870 4.775 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.032 -10.489 5.768 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -5.323 -10.847 3.654 1.00 1.04 C ATOM 0 H LEU A 65 -5.105 -7.825 6.809 1.00 0.54 H new ATOM 0 HA LEU A 65 -6.428 -7.578 4.363 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -6.210 -9.695 6.537 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -7.122 -9.997 5.071 1.00 0.66 H new ATOM 0 HG LEU A 65 -4.533 -8.990 4.338 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -3.125 -10.796 5.246 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -3.779 -9.756 6.535 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -4.493 -11.359 6.235 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -4.399 -11.149 3.161 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -5.818 -11.726 4.067 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -5.981 -10.367 2.929 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.381 -7.225 6.879 1.00 0.75 N ATOM 1040 CA ASP A 66 -9.765 -6.991 7.281 1.00 0.92 C ATOM 1041 C ASP A 66 -10.109 -5.502 7.325 1.00 0.87 C ATOM 1042 O ASP A 66 -11.274 -5.124 7.202 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.028 -7.626 8.647 1.00 1.12 C ATOM 1044 CG ASP A 66 -10.287 -9.117 8.551 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -9.676 -9.770 7.679 1.00 2.33 O ATOM 1046 OD2 ASP A 66 -11.100 -9.631 9.347 1.00 2.30 O ATOM 0 H ASP A 66 -7.687 -6.985 7.587 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.405 -7.454 6.530 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -9.171 -7.450 9.297 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -10.886 -7.140 9.111 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.100 -4.664 7.529 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.314 -3.221 7.617 1.00 0.81 C ATOM 1053 C ASP A 67 -9.564 -2.584 6.251 1.00 0.69 C ATOM 1054 O ASP A 67 -9.098 -3.077 5.214 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.117 -2.549 8.286 1.00 0.92 C ATOM 1056 CG ASP A 67 -7.679 -3.275 9.543 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -7.313 -4.465 9.445 1.00 1.54 O ATOM 1058 OD2 ASP A 67 -7.701 -2.653 10.626 1.00 1.85 O ATOM 0 H ASP A 67 -8.128 -4.955 7.637 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.209 -3.069 8.220 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.285 -2.510 7.583 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.373 -1.519 8.534 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.300 -1.470 6.278 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.634 -0.711 5.076 1.00 0.78 C ATOM 1065 C ILE A 68 -9.910 0.620 5.071 1.00 0.99 C ATOM 1066 O ILE A 68 -9.740 1.254 6.113 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.144 -0.418 4.960 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -12.979 -1.482 5.681 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.543 -0.313 3.493 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.043 -2.800 4.947 1.00 1.10 C ATOM 0 H ILE A 68 -10.680 -1.071 7.136 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.326 -1.331 4.234 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.346 0.536 5.448 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -12.561 -1.649 6.674 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -13.992 -1.104 5.821 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.611 -0.106 3.420 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -11.984 0.495 3.021 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.320 -1.253 2.987 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -13.650 -3.504 5.516 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -13.489 -2.648 3.964 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.036 -3.201 4.830 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.492 1.044 3.893 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.794 2.306 3.752 1.00 1.34 C ATOM 1084 C ALA A 69 -9.588 3.272 2.881 1.00 1.19 C ATOM 1085 O ALA A 69 -10.419 2.852 2.062 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.409 2.076 3.172 1.00 2.16 C ATOM 0 H ALA A 69 -9.624 0.532 3.021 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.689 2.754 4.740 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.894 3.031 3.071 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.840 1.426 3.836 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.498 1.606 2.193 1.00 2.16 H new ATOM 1092 N TYR A 70 -9.312 4.564 3.057 1.00 1.18 N ATOM 1093 CA TYR A 70 -9.974 5.614 2.293 1.00 1.38 C ATOM 1094 C TYR A 70 -8.936 6.540 1.658 1.00 1.17 C ATOM 1095 O TYR A 70 -7.905 6.834 2.265 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.923 6.416 3.196 1.00 1.97 C ATOM 1097 CG TYR A 70 -10.229 7.439 4.075 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -9.686 7.078 5.302 1.00 3.17 C ATOM 1099 CD2 TYR A 70 -10.118 8.764 3.674 1.00 3.47 C ATOM 1100 CE1 TYR A 70 -9.052 8.009 6.103 1.00 4.07 C ATOM 1101 CE2 TYR A 70 -9.485 9.701 4.469 1.00 4.42 C ATOM 1102 CZ TYR A 70 -8.954 9.318 5.682 1.00 4.67 C ATOM 1103 OH TYR A 70 -8.323 10.247 6.478 1.00 5.65 O ATOM 0 H TYR A 70 -8.627 4.908 3.730 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.560 5.150 1.500 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -11.655 6.928 2.571 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -11.475 5.723 3.831 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -9.761 6.053 5.635 1.00 3.17 H new ATOM 0 HD2 TYR A 70 -10.533 9.068 2.724 1.00 3.47 H new ATOM 0 HE1 TYR A 70 -8.635 7.712 7.054 1.00 4.07 H new ATOM 0 HE2 TYR A 70 -9.407 10.727 4.142 1.00 4.42 H new ATOM 0 HH TYR A 70 -8.339 11.121 6.036 1.00 5.65 H new ATOM 1113 N VAL A 71 -9.206 6.997 0.441 1.00 1.69 N ATOM 1114 CA VAL A 71 -8.283 7.885 -0.256 1.00 2.02 C ATOM 1115 C VAL A 71 -8.154 9.223 0.469 1.00 2.00 C ATOM 1116 O VAL A 71 -9.147 9.788 0.925 1.00 2.35 O ATOM 1117 CB VAL A 71 -8.734 8.153 -1.706 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -7.741 9.058 -2.418 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -8.909 6.848 -2.462 1.00 3.61 C ATOM 0 H VAL A 71 -10.052 6.769 -0.082 1.00 1.69 H new ATOM 0 HA VAL A 71 -7.318 7.379 -0.270 1.00 2.02 H new ATOM 0 HB VAL A 71 -9.698 8.662 -1.676 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -8.078 9.235 -3.440 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -7.671 10.009 -1.889 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -6.761 8.580 -2.436 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -9.227 7.059 -3.483 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -7.962 6.309 -2.481 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -9.664 6.238 -1.965 1.00 3.61 H new ATOM 1129 N GLY A 72 -6.928 9.734 0.560 1.00 1.84 N ATOM 1130 CA GLY A 72 -6.710 11.010 1.219 1.00 1.87 C ATOM 1131 C GLY A 72 -5.748 10.937 2.391 1.00 1.57 C ATOM 1132 O GLY A 72 -5.475 11.952 3.033 1.00 1.63 O ATOM 0 H GLY A 72 -6.087 9.290 0.191 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -6.327 11.724 0.490 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -7.667 11.395 1.570 1.00 1.87 H new ATOM 1136 N LYS A 73 -5.230 9.747 2.682 1.00 1.31 N ATOM 1137 CA LYS A 73 -4.298 9.589 3.794 1.00 1.09 C ATOM 1138 C LYS A 73 -3.415 8.353 3.614 1.00 0.83 C ATOM 1139 O LYS A 73 -3.918 7.258 3.368 1.00 0.79 O ATOM 1140 CB LYS A 73 -5.069 9.482 5.111 1.00 1.27 C ATOM 1141 CG LYS A 73 -4.292 9.993 6.314 1.00 1.59 C ATOM 1142 CD LYS A 73 -4.495 9.101 7.528 1.00 1.98 C ATOM 1143 CE LYS A 73 -3.347 8.118 7.694 1.00 2.32 C ATOM 1144 NZ LYS A 73 -3.723 6.745 7.257 1.00 2.96 N ATOM 0 H LYS A 73 -5.436 8.889 2.171 1.00 1.31 H new ATOM 0 HA LYS A 73 -3.653 10.467 3.815 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -5.999 10.044 5.025 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -5.340 8.440 5.280 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -3.231 10.041 6.070 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -4.611 11.008 6.550 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -4.581 9.717 8.423 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -5.432 8.554 7.426 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -2.489 8.461 7.115 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -3.038 8.094 8.739 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -3.644 6.091 8.062 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -4.703 6.748 6.908 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -3.085 6.436 6.496 1.00 2.96 H new ATOM 1158 N PRO A 74 -2.081 8.505 3.747 1.00 0.75 N ATOM 1159 CA PRO A 74 -1.146 7.384 3.610 1.00 0.64 C ATOM 1160 C PRO A 74 -1.345 6.350 4.708 1.00 0.53 C ATOM 1161 O PRO A 74 -1.618 6.698 5.856 1.00 0.75 O ATOM 1162 CB PRO A 74 0.239 8.029 3.742 1.00 0.77 C ATOM 1163 CG PRO A 74 0.016 9.494 3.575 1.00 0.87 C ATOM 1164 CD PRO A 74 -1.381 9.762 4.053 1.00 0.91 C ATOM 0 HA PRO A 74 -1.287 6.855 2.667 1.00 0.64 H new ATOM 0 HB2 PRO A 74 0.683 7.808 4.712 1.00 0.77 H new ATOM 0 HB3 PRO A 74 0.923 7.648 2.984 1.00 0.77 H new ATOM 0 HG2 PRO A 74 0.742 10.067 4.153 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.134 9.789 2.532 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -1.406 9.989 5.119 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -1.829 10.610 3.535 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.208 5.078 4.355 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.378 4.009 5.326 1.00 0.49 C ATOM 1174 C LEU A 75 -0.036 3.386 5.705 1.00 0.46 C ATOM 1175 O LEU A 75 0.153 2.960 6.845 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.335 2.942 4.787 1.00 0.64 C ATOM 1177 CG LEU A 75 -1.829 2.158 3.577 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -1.165 0.866 4.026 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -2.976 1.866 2.617 1.00 1.32 C ATOM 0 H LEU A 75 -0.981 4.765 3.411 1.00 0.40 H new ATOM 0 HA LEU A 75 -1.811 4.441 6.228 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.555 2.237 5.589 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -3.275 3.424 4.519 1.00 0.64 H new ATOM 0 HG LEU A 75 -1.088 2.763 3.054 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -0.809 0.318 3.154 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -0.322 1.097 4.678 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -1.887 0.256 4.569 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -2.600 1.307 1.760 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -3.738 1.277 3.128 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -3.412 2.805 2.275 1.00 1.32 H new ATOM 1191 N VAL A 76 0.898 3.334 4.754 1.00 0.32 N ATOM 1192 CA VAL A 76 2.216 2.757 5.027 1.00 0.29 C ATOM 1193 C VAL A 76 3.343 3.542 4.363 1.00 0.27 C ATOM 1194 O VAL A 76 3.206 4.028 3.240 1.00 0.35 O ATOM 1195 CB VAL A 76 2.304 1.288 4.555 1.00 0.36 C ATOM 1196 CG1 VAL A 76 1.947 1.180 3.079 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.697 0.717 4.815 1.00 0.47 C ATOM 0 H VAL A 76 0.771 3.678 3.802 1.00 0.32 H new ATOM 0 HA VAL A 76 2.338 2.806 6.109 1.00 0.29 H new ATOM 0 HB VAL A 76 1.585 0.702 5.127 1.00 0.36 H new ATOM 0 HG11 VAL A 76 2.014 0.139 2.764 1.00 0.37 H new ATOM 0 HG12 VAL A 76 0.931 1.541 2.923 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.640 1.782 2.492 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.735 -0.318 4.475 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.438 1.305 4.273 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.913 0.756 5.883 1.00 0.47 H new ATOM 1207 N ASP A 77 4.474 3.625 5.061 1.00 0.30 N ATOM 1208 CA ASP A 77 5.650 4.304 4.543 1.00 0.41 C ATOM 1209 C ASP A 77 6.714 3.277 4.184 1.00 0.38 C ATOM 1210 O ASP A 77 7.073 2.428 5.003 1.00 0.41 O ATOM 1211 CB ASP A 77 6.208 5.292 5.565 1.00 0.58 C ATOM 1212 CG ASP A 77 5.121 5.982 6.366 1.00 0.78 C ATOM 1213 OD1 ASP A 77 3.947 5.932 5.942 1.00 0.87 O ATOM 1214 OD2 ASP A 77 5.443 6.571 7.419 1.00 1.10 O ATOM 0 H ASP A 77 4.596 3.226 5.992 1.00 0.30 H new ATOM 0 HA ASP A 77 5.362 4.862 3.652 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.877 4.765 6.246 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.806 6.043 5.049 1.00 0.58 H new ATOM 1219 N ILE A 78 7.197 3.342 2.953 1.00 0.44 N ATOM 1220 CA ILE A 78 8.201 2.396 2.484 1.00 0.42 C ATOM 1221 C ILE A 78 9.325 3.108 1.756 1.00 0.41 C ATOM 1222 O ILE A 78 9.095 4.113 1.096 1.00 0.51 O ATOM 1223 CB ILE A 78 7.588 1.349 1.531 1.00 0.42 C ATOM 1224 CG1 ILE A 78 6.121 1.093 1.889 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.390 0.058 1.570 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.165 2.031 1.190 1.00 0.86 C ATOM 0 H ILE A 78 6.912 4.036 2.262 1.00 0.44 H new ATOM 0 HA ILE A 78 8.595 1.894 3.368 1.00 0.42 H new ATOM 0 HB ILE A 78 7.626 1.740 0.514 1.00 0.42 H new ATOM 0 HG12 ILE A 78 5.865 0.065 1.631 1.00 0.53 H new ATOM 0 HG13 ILE A 78 5.994 1.192 2.967 1.00 0.53 H new ATOM 0 HG21 ILE A 78 7.943 -0.669 0.892 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.416 0.258 1.262 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.386 -0.342 2.584 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.143 1.796 1.487 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.396 3.059 1.467 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.265 1.915 0.111 1.00 0.86 H new ATOM 1238 N GLU A 79 10.537 2.581 1.853 1.00 0.29 N ATOM 1239 CA GLU A 79 11.661 3.197 1.169 1.00 0.29 C ATOM 1240 C GLU A 79 11.934 2.470 -0.135 1.00 0.47 C ATOM 1241 O GLU A 79 12.333 1.307 -0.138 1.00 0.79 O ATOM 1242 CB GLU A 79 12.906 3.173 2.057 1.00 0.62 C ATOM 1243 CG GLU A 79 13.556 4.537 2.225 1.00 0.92 C ATOM 1244 CD GLU A 79 14.535 4.576 3.382 1.00 0.96 C ATOM 1245 OE1 GLU A 79 14.631 3.568 4.113 1.00 1.09 O ATOM 1246 OE2 GLU A 79 15.206 5.615 3.557 1.00 1.39 O ATOM 0 H GLU A 79 10.764 1.743 2.389 1.00 0.29 H new ATOM 0 HA GLU A 79 11.412 4.236 0.952 1.00 0.29 H new ATOM 0 HB2 GLU A 79 12.635 2.785 3.039 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.634 2.482 1.631 1.00 0.62 H new ATOM 0 HG2 GLU A 79 14.076 4.804 1.305 1.00 0.92 H new ATOM 0 HG3 GLU A 79 12.782 5.288 2.383 1.00 0.92 H new ATOM 1253 N THR A 80 11.703 3.175 -1.238 1.00 0.64 N ATOM 1254 CA THR A 80 11.905 2.629 -2.573 1.00 1.05 C ATOM 1255 C THR A 80 12.454 3.697 -3.512 1.00 1.00 C ATOM 1256 O THR A 80 12.279 4.891 -3.271 1.00 1.22 O ATOM 1257 CB THR A 80 10.595 2.065 -3.156 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.503 2.936 -2.839 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.314 0.674 -2.606 1.00 1.18 C ATOM 0 H THR A 80 11.371 4.139 -1.230 1.00 0.64 H new ATOM 0 HA THR A 80 12.626 1.816 -2.484 1.00 1.05 H new ATOM 0 HB THR A 80 10.704 1.997 -4.238 1.00 1.51 H new ATOM 0 HG1 THR A 80 8.905 3.005 -3.612 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.384 0.296 -3.031 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.133 0.006 -2.871 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.223 0.723 -1.521 1.00 1.18 H new ATOM 1267 N GLU A 81 13.110 3.271 -4.584 1.00 1.27 N ATOM 1268 CA GLU A 81 13.667 4.213 -5.547 1.00 1.30 C ATOM 1269 C GLU A 81 12.570 5.126 -6.091 1.00 1.99 C ATOM 1270 O GLU A 81 11.394 4.762 -6.093 1.00 2.56 O ATOM 1271 CB GLU A 81 14.348 3.466 -6.695 1.00 1.53 C ATOM 1272 CG GLU A 81 15.709 4.035 -7.067 1.00 1.62 C ATOM 1273 CD GLU A 81 16.059 3.809 -8.525 1.00 2.40 C ATOM 1274 OE1 GLU A 81 15.473 4.494 -9.390 1.00 3.13 O ATOM 1275 OE2 GLU A 81 16.920 2.947 -8.802 1.00 2.85 O ATOM 0 H GLU A 81 13.269 2.289 -4.808 1.00 1.27 H new ATOM 0 HA GLU A 81 14.413 4.824 -5.039 1.00 1.30 H new ATOM 0 HB2 GLU A 81 14.465 2.418 -6.418 1.00 1.53 H new ATOM 0 HB3 GLU A 81 13.700 3.494 -7.571 1.00 1.53 H new ATOM 0 HG2 GLU A 81 15.721 5.104 -6.856 1.00 1.62 H new ATOM 0 HG3 GLU A 81 16.473 3.578 -6.439 1.00 1.62 H new ATOM 1282 N ALA A 82 12.962 6.321 -6.535 1.00 2.01 N ATOM 1283 CA ALA A 82 12.019 7.309 -7.069 1.00 2.67 C ATOM 1284 C ALA A 82 10.907 6.662 -7.895 1.00 3.02 C ATOM 1285 O ALA A 82 11.150 6.144 -8.985 1.00 3.10 O ATOM 1286 CB ALA A 82 12.762 8.340 -7.905 1.00 2.85 C ATOM 0 H ALA A 82 13.934 6.631 -6.536 1.00 2.01 H new ATOM 0 HA ALA A 82 11.546 7.800 -6.219 1.00 2.67 H new ATOM 0 HB1 ALA A 82 12.053 9.069 -8.297 1.00 2.85 H new ATOM 0 HB2 ALA A 82 13.500 8.848 -7.284 1.00 2.85 H new ATOM 0 HB3 ALA A 82 13.266 7.842 -8.733 1.00 2.85 H new ATOM 1292 N LEU A 83 9.686 6.699 -7.365 1.00 3.31 N ATOM 1293 CA LEU A 83 8.537 6.120 -8.052 1.00 3.73 C ATOM 1294 C LEU A 83 7.435 7.157 -8.253 1.00 4.31 C ATOM 1295 O LEU A 83 7.193 8.000 -7.389 1.00 4.31 O ATOM 1296 CB LEU A 83 7.993 4.924 -7.266 1.00 3.56 C ATOM 1297 CG LEU A 83 8.242 3.559 -7.913 1.00 3.51 C ATOM 1298 CD1 LEU A 83 9.547 2.961 -7.413 1.00 3.49 C ATOM 1299 CD2 LEU A 83 7.081 2.616 -7.633 1.00 3.60 C ATOM 0 H LEU A 83 9.469 7.123 -6.463 1.00 3.31 H new ATOM 0 HA LEU A 83 8.870 5.781 -9.033 1.00 3.73 H new ATOM 0 HB2 LEU A 83 8.442 4.926 -6.273 1.00 3.56 H new ATOM 0 HB3 LEU A 83 6.919 5.055 -7.131 1.00 3.56 H new ATOM 0 HG LEU A 83 8.319 3.699 -8.991 1.00 3.51 H new ATOM 0 HD11 LEU A 83 9.707 1.991 -7.884 1.00 3.49 H new ATOM 0 HD12 LEU A 83 10.372 3.627 -7.665 1.00 3.49 H new ATOM 0 HD13 LEU A 83 9.499 2.836 -6.331 1.00 3.49 H new ATOM 0 HD21 LEU A 83 7.275 1.651 -8.101 1.00 3.60 H new ATOM 0 HD22 LEU A 83 6.972 2.483 -6.557 1.00 3.60 H new ATOM 0 HD23 LEU A 83 6.163 3.038 -8.041 1.00 3.60 H new ATOM 1311 N LYS A 84 6.771 7.083 -9.400 1.00 4.85 N ATOM 1312 CA LYS A 84 5.691 8.007 -9.729 1.00 5.44 C ATOM 1313 C LYS A 84 4.579 7.955 -8.684 1.00 5.34 C ATOM 1314 O LYS A 84 3.798 8.897 -8.554 1.00 5.61 O ATOM 1315 CB LYS A 84 5.120 7.680 -11.110 1.00 6.29 C ATOM 1316 CG LYS A 84 4.526 6.285 -11.205 1.00 6.80 C ATOM 1317 CD LYS A 84 3.079 6.263 -10.738 1.00 7.13 C ATOM 1318 CE LYS A 84 2.138 5.860 -11.861 1.00 7.72 C ATOM 1319 NZ LYS A 84 0.717 6.147 -11.525 1.00 8.33 N ATOM 0 H LYS A 84 6.963 6.389 -10.122 1.00 4.85 H new ATOM 0 HA LYS A 84 6.104 9.015 -9.737 1.00 5.44 H new ATOM 0 HB2 LYS A 84 4.351 8.411 -11.359 1.00 6.29 H new ATOM 0 HB3 LYS A 84 5.910 7.782 -11.854 1.00 6.29 H new ATOM 0 HG2 LYS A 84 4.582 5.934 -12.235 1.00 6.80 H new ATOM 0 HG3 LYS A 84 5.115 5.595 -10.600 1.00 6.80 H new ATOM 0 HD2 LYS A 84 2.974 5.566 -9.906 1.00 7.13 H new ATOM 0 HD3 LYS A 84 2.801 7.249 -10.365 1.00 7.13 H new ATOM 0 HE2 LYS A 84 2.410 6.393 -12.772 1.00 7.72 H new ATOM 0 HE3 LYS A 84 2.254 4.796 -12.068 1.00 7.72 H new ATOM 0 HZ1 LYS A 84 0.108 5.858 -12.317 1.00 8.33 H new ATOM 0 HZ2 LYS A 84 0.449 5.618 -10.670 1.00 8.33 H new ATOM 0 HZ3 LYS A 84 0.600 7.166 -11.353 1.00 8.33 H new ATOM 1333 N ASP A 85 4.504 6.841 -7.954 1.00 5.08 N ATOM 1334 CA ASP A 85 3.480 6.644 -6.922 1.00 5.19 C ATOM 1335 C ASP A 85 3.174 7.932 -6.158 1.00 4.88 C ATOM 1336 O ASP A 85 2.013 8.302 -5.989 1.00 5.42 O ATOM 1337 CB ASP A 85 3.929 5.563 -5.939 1.00 4.91 C ATOM 1338 CG ASP A 85 3.353 4.201 -6.274 1.00 5.75 C ATOM 1339 OD1 ASP A 85 2.989 3.984 -7.449 1.00 6.12 O ATOM 1340 OD2 ASP A 85 3.265 3.352 -5.363 1.00 6.23 O ATOM 0 H ASP A 85 5.145 6.055 -8.059 1.00 5.08 H new ATOM 0 HA ASP A 85 2.567 6.333 -7.429 1.00 5.19 H new ATOM 0 HB2 ASP A 85 5.017 5.504 -5.940 1.00 4.91 H new ATOM 0 HB3 ASP A 85 3.626 5.844 -4.930 1.00 4.91 H new ATOM 1345 N LEU A 86 4.220 8.605 -5.692 1.00 4.16 N ATOM 1346 CA LEU A 86 4.050 9.844 -4.941 1.00 3.99 C ATOM 1347 C LEU A 86 4.763 11.013 -5.615 1.00 4.35 C ATOM 1348 O LEU A 86 4.354 12.165 -5.470 1.00 4.39 O ATOM 1349 CB LEU A 86 4.570 9.669 -3.512 1.00 3.28 C ATOM 1350 CG LEU A 86 3.488 9.627 -2.434 1.00 2.93 C ATOM 1351 CD1 LEU A 86 4.111 9.690 -1.048 1.00 3.28 C ATOM 1352 CD2 LEU A 86 2.503 10.767 -2.630 1.00 2.54 C ATOM 0 H LEU A 86 5.190 8.316 -5.820 1.00 4.16 H new ATOM 0 HA LEU A 86 2.984 10.072 -4.915 1.00 3.99 H new ATOM 0 HB2 LEU A 86 5.148 8.746 -3.462 1.00 3.28 H new ATOM 0 HB3 LEU A 86 5.255 10.487 -3.287 1.00 3.28 H new ATOM 0 HG LEU A 86 2.948 8.684 -2.522 1.00 2.93 H new ATOM 0 HD11 LEU A 86 3.325 9.659 -0.294 1.00 3.28 H new ATOM 0 HD12 LEU A 86 4.779 8.840 -0.911 1.00 3.28 H new ATOM 0 HD13 LEU A 86 4.676 10.616 -0.945 1.00 3.28 H new ATOM 0 HD21 LEU A 86 1.738 10.724 -1.855 1.00 2.54 H new ATOM 0 HD22 LEU A 86 3.031 11.719 -2.567 1.00 2.54 H new ATOM 0 HD23 LEU A 86 2.033 10.677 -3.609 1.00 2.54 H new ATOM 1364 N GLU A 87 5.830 10.717 -6.350 1.00 4.90 N ATOM 1365 CA GLU A 87 6.592 11.751 -7.039 1.00 5.65 C ATOM 1366 C GLU A 87 7.349 11.167 -8.226 1.00 5.80 C ATOM 1367 O GLU A 87 6.776 11.135 -9.336 1.00 5.45 O ATOM 1368 CB GLU A 87 7.572 12.422 -6.074 1.00 6.27 C ATOM 1369 CG GLU A 87 7.030 12.578 -4.661 1.00 6.31 C ATOM 1370 CD GLU A 87 8.043 13.184 -3.711 1.00 7.17 C ATOM 1371 OE1 GLU A 87 8.975 12.463 -3.297 1.00 7.41 O ATOM 1372 OE2 GLU A 87 7.904 14.380 -3.378 1.00 7.79 O ATOM 0 H GLU A 87 6.186 9.770 -6.483 1.00 4.90 H new ATOM 0 HA GLU A 87 5.890 12.498 -7.410 1.00 5.65 H new ATOM 0 HB2 GLU A 87 8.491 11.837 -6.038 1.00 6.27 H new ATOM 0 HB3 GLU A 87 7.835 13.406 -6.463 1.00 6.27 H new ATOM 0 HG2 GLU A 87 6.139 13.206 -4.685 1.00 6.31 H new ATOM 0 HG3 GLU A 87 6.722 11.603 -4.284 1.00 6.31 H new TER 1379 GLU A 87