USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 530 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 -178:sc= -0.824 (180deg=-0.875) USER MOD Single : A 1 MET N :NH3+ 162:sc= -0.126 (180deg=-0.512) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 140:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.59! C(o=-2.6!,f=-5.1!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0.125 K(o=0.13,f=-0.4) USER MOD Single : A 28 SER OG : rot 130:sc= 0.259 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0.0529 X(o=0.053,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.0579 (180deg=-0.35) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc=-0.00593 K(o=-0.0059,f=-2.1) USER MOD Single : A 62 HIS : no HD1:sc= -0.0799 X(o=-0.08,f=-0.08) USER MOD Single : A 63 HIS : no HD1:sc= -0.0681 X(o=-0.068,f=-0.01) USER MOD Single : A 64 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.0057) USER MOD Single : A 65 HIS : no HD1:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.323 -4.470 6.192 1.00 45.24 N ATOM 2 CA MET A 1 9.070 -4.761 4.950 1.00 61.42 C ATOM 3 C MET A 1 8.130 -4.729 3.749 1.00 73.45 C ATOM 4 O MET A 1 7.200 -5.527 3.650 1.00 25.51 O ATOM 5 CB MET A 1 9.790 -6.112 5.067 1.00 55.12 C ATOM 6 CG MET A 1 8.884 -7.280 5.430 1.00 51.43 C ATOM 7 SD MET A 1 9.813 -8.757 5.900 1.00 43.50 S ATOM 8 CE MET A 1 10.870 -8.973 4.468 1.00 13.41 C ATOM 0 H1 MET A 1 8.878 -4.786 7.013 1.00 45.24 H new ATOM 0 H2 MET A 1 8.152 -3.447 6.263 1.00 45.24 H new ATOM 0 H3 MET A 1 7.413 -4.973 6.175 1.00 45.24 H new ATOM 0 HA MET A 1 9.828 -3.992 4.800 1.00 61.42 H new ATOM 0 HB2 MET A 1 10.282 -6.331 4.119 1.00 55.12 H new ATOM 0 HB3 MET A 1 10.573 -6.028 5.820 1.00 55.12 H new ATOM 0 HG2 MET A 1 8.232 -6.988 6.253 1.00 51.43 H new ATOM 0 HG3 MET A 1 8.241 -7.514 4.582 1.00 51.43 H new ATOM 0 HE1 MET A 1 11.478 -9.869 4.596 1.00 13.41 H new ATOM 0 HE2 MET A 1 10.255 -9.077 3.574 1.00 13.41 H new ATOM 0 HE3 MET A 1 11.521 -8.105 4.362 1.00 13.41 H new ATOM 20 N ILE A 2 8.368 -3.786 2.848 1.00 73.44 N ATOM 21 CA ILE A 2 7.469 -3.557 1.725 1.00 71.23 C ATOM 22 C ILE A 2 8.095 -4.010 0.407 1.00 51.35 C ATOM 23 O ILE A 2 9.305 -3.879 0.194 1.00 44.11 O ATOM 24 CB ILE A 2 7.080 -2.064 1.624 1.00 3.03 C ATOM 25 CG1 ILE A 2 6.547 -1.562 2.969 1.00 23.30 C ATOM 26 CG2 ILE A 2 6.040 -1.852 0.534 1.00 51.15 C ATOM 27 CD1 ILE A 2 6.141 -0.105 2.967 1.00 11.50 C ATOM 0 H ILE A 2 9.178 -3.166 2.873 1.00 73.44 H new ATOM 0 HA ILE A 2 6.572 -4.149 1.907 1.00 71.23 H new ATOM 0 HB ILE A 2 7.972 -1.494 1.364 1.00 3.03 H new ATOM 0 HG12 ILE A 2 5.687 -2.167 3.256 1.00 23.30 H new ATOM 0 HG13 ILE A 2 7.312 -1.714 3.730 1.00 23.30 H new ATOM 0 HG21 ILE A 2 5.780 -0.795 0.480 1.00 51.15 H new ATOM 0 HG22 ILE A 2 6.446 -2.176 -0.424 1.00 51.15 H new ATOM 0 HG23 ILE A 2 5.147 -2.434 0.765 1.00 51.15 H new ATOM 0 HD11 ILE A 2 5.775 0.172 3.956 1.00 11.50 H new ATOM 0 HD12 ILE A 2 7.003 0.512 2.713 1.00 11.50 H new ATOM 0 HD13 ILE A 2 5.353 0.052 2.231 1.00 11.50 H new ATOM 39 N PHE A 3 7.258 -4.546 -0.472 1.00 33.02 N ATOM 40 CA PHE A 3 7.690 -4.997 -1.787 1.00 22.35 C ATOM 41 C PHE A 3 6.759 -4.433 -2.856 1.00 1.13 C ATOM 42 O PHE A 3 5.608 -4.103 -2.564 1.00 44.24 O ATOM 43 CB PHE A 3 7.694 -6.529 -1.854 1.00 13.51 C ATOM 44 CG PHE A 3 8.630 -7.176 -0.875 1.00 62.51 C ATOM 45 CD1 PHE A 3 9.997 -7.182 -1.103 1.00 11.42 C ATOM 46 CD2 PHE A 3 8.143 -7.782 0.273 1.00 3.25 C ATOM 47 CE1 PHE A 3 10.861 -7.775 -0.203 1.00 0.41 C ATOM 48 CE2 PHE A 3 9.002 -8.379 1.177 1.00 60.14 C ATOM 49 CZ PHE A 3 10.364 -8.376 0.937 1.00 73.02 C ATOM 0 H PHE A 3 6.263 -4.680 -0.293 1.00 33.02 H new ATOM 0 HA PHE A 3 8.704 -4.639 -1.965 1.00 22.35 H new ATOM 0 HB2 PHE A 3 6.683 -6.894 -1.672 1.00 13.51 H new ATOM 0 HB3 PHE A 3 7.967 -6.839 -2.863 1.00 13.51 H new ATOM 0 HD1 PHE A 3 10.391 -6.718 -1.995 1.00 11.42 H new ATOM 0 HD2 PHE A 3 7.080 -7.788 0.463 1.00 3.25 H new ATOM 0 HE1 PHE A 3 11.925 -7.769 -0.391 1.00 0.41 H new ATOM 0 HE2 PHE A 3 8.610 -8.847 2.068 1.00 60.14 H new ATOM 0 HZ PHE A 3 11.038 -8.843 1.640 1.00 73.02 H new ATOM 59 N PRO A 4 7.241 -4.284 -4.100 1.00 4.13 N ATOM 60 CA PRO A 4 6.413 -3.808 -5.209 1.00 1.33 C ATOM 61 C PRO A 4 5.293 -4.794 -5.532 1.00 33.51 C ATOM 62 O PRO A 4 5.547 -5.947 -5.893 1.00 72.11 O ATOM 63 CB PRO A 4 7.392 -3.695 -6.386 1.00 31.12 C ATOM 64 CG PRO A 4 8.749 -3.720 -5.770 1.00 41.11 C ATOM 65 CD PRO A 4 8.621 -4.553 -4.528 1.00 75.43 C ATOM 0 HA PRO A 4 5.919 -2.864 -4.977 1.00 1.33 H new ATOM 0 HB2 PRO A 4 7.262 -4.520 -7.086 1.00 31.12 H new ATOM 0 HB3 PRO A 4 7.230 -2.774 -6.945 1.00 31.12 H new ATOM 0 HG2 PRO A 4 9.481 -4.149 -6.454 1.00 41.11 H new ATOM 0 HG3 PRO A 4 9.088 -2.712 -5.531 1.00 41.11 H new ATOM 0 HD2 PRO A 4 8.783 -5.611 -4.732 1.00 75.43 H new ATOM 0 HD3 PRO A 4 9.345 -4.260 -3.768 1.00 75.43 H new ATOM 73 N GLY A 5 4.061 -4.332 -5.404 1.00 13.22 N ATOM 74 CA GLY A 5 2.916 -5.196 -5.586 1.00 43.43 C ATOM 75 C GLY A 5 2.206 -5.479 -4.277 1.00 21.50 C ATOM 76 O GLY A 5 1.166 -6.139 -4.254 1.00 34.44 O ATOM 0 H GLY A 5 3.832 -3.365 -5.175 1.00 13.22 H new ATOM 0 HA2 GLY A 5 2.219 -4.732 -6.284 1.00 43.43 H new ATOM 0 HA3 GLY A 5 3.238 -6.136 -6.034 1.00 43.43 H new ATOM 80 N ALA A 6 2.766 -4.977 -3.182 1.00 30.00 N ATOM 81 CA ALA A 6 2.187 -5.192 -1.866 1.00 63.25 C ATOM 82 C ALA A 6 1.219 -4.073 -1.512 1.00 0.25 C ATOM 83 O ALA A 6 1.338 -2.952 -2.012 1.00 15.33 O ATOM 84 CB ALA A 6 3.281 -5.306 -0.814 1.00 73.02 C ATOM 0 H ALA A 6 3.620 -4.419 -3.182 1.00 30.00 H new ATOM 0 HA ALA A 6 1.630 -6.129 -1.888 1.00 63.25 H new ATOM 0 HB1 ALA A 6 2.829 -5.467 0.165 1.00 73.02 H new ATOM 0 HB2 ALA A 6 3.932 -6.146 -1.056 1.00 73.02 H new ATOM 0 HB3 ALA A 6 3.866 -4.387 -0.797 1.00 73.02 H new ATOM 90 N THR A 7 0.260 -4.386 -0.656 1.00 13.34 N ATOM 91 CA THR A 7 -0.734 -3.417 -0.238 1.00 71.22 C ATOM 92 C THR A 7 -0.275 -2.701 1.027 1.00 42.03 C ATOM 93 O THR A 7 0.179 -3.336 1.979 1.00 4.40 O ATOM 94 CB THR A 7 -2.085 -4.106 0.025 1.00 50.40 C ATOM 95 OG1 THR A 7 -2.356 -5.044 -1.028 1.00 72.42 O ATOM 96 CG2 THR A 7 -3.215 -3.089 0.105 1.00 40.35 C ATOM 0 H THR A 7 0.151 -5.309 -0.236 1.00 13.34 H new ATOM 0 HA THR A 7 -0.857 -2.689 -1.040 1.00 71.22 H new ATOM 0 HB THR A 7 -2.025 -4.625 0.981 1.00 50.40 H new ATOM 0 HG1 THR A 7 -3.215 -5.485 -0.861 1.00 72.42 H new ATOM 0 HG21 THR A 7 -4.157 -3.605 0.291 1.00 40.35 H new ATOM 0 HG22 THR A 7 -3.018 -2.389 0.917 1.00 40.35 H new ATOM 0 HG23 THR A 7 -3.281 -2.543 -0.836 1.00 40.35 H new ATOM 104 N VAL A 8 -0.379 -1.385 1.031 1.00 31.32 N ATOM 105 CA VAL A 8 0.029 -0.598 2.181 1.00 61.11 C ATOM 106 C VAL A 8 -1.101 0.301 2.648 1.00 45.20 C ATOM 107 O VAL A 8 -2.051 0.564 1.907 1.00 63.40 O ATOM 108 CB VAL A 8 1.272 0.265 1.888 1.00 34.21 C ATOM 109 CG1 VAL A 8 2.500 -0.610 1.700 1.00 51.15 C ATOM 110 CG2 VAL A 8 1.048 1.144 0.667 1.00 2.42 C ATOM 0 H VAL A 8 -0.743 -0.838 0.251 1.00 31.32 H new ATOM 0 HA VAL A 8 0.284 -1.309 2.967 1.00 61.11 H new ATOM 0 HB VAL A 8 1.442 0.915 2.746 1.00 34.21 H new ATOM 0 HG11 VAL A 8 3.366 0.018 1.494 1.00 51.15 H new ATOM 0 HG12 VAL A 8 2.678 -1.187 2.607 1.00 51.15 H new ATOM 0 HG13 VAL A 8 2.338 -1.290 0.863 1.00 51.15 H new ATOM 0 HG21 VAL A 8 1.940 1.743 0.481 1.00 2.42 H new ATOM 0 HG22 VAL A 8 0.845 0.516 -0.201 1.00 2.42 H new ATOM 0 HG23 VAL A 8 0.198 1.803 0.844 1.00 2.42 H new ATOM 120 N ARG A 9 -0.995 0.757 3.881 1.00 15.44 N ATOM 121 CA ARG A 9 -1.980 1.653 4.454 1.00 72.23 C ATOM 122 C ARG A 9 -1.275 2.904 4.955 1.00 23.01 C ATOM 123 O ARG A 9 -0.257 2.811 5.646 1.00 24.44 O ATOM 124 CB ARG A 9 -2.726 0.944 5.589 1.00 5.12 C ATOM 125 CG ARG A 9 -3.987 1.659 6.047 1.00 54.31 C ATOM 126 CD ARG A 9 -4.809 0.776 6.972 1.00 61.12 C ATOM 127 NE ARG A 9 -6.105 1.369 7.293 1.00 61.43 N ATOM 128 CZ ARG A 9 -7.271 0.906 6.845 1.00 62.12 C ATOM 129 NH1 ARG A 9 -7.316 -0.175 6.075 1.00 23.54 N ATOM 130 NH2 ARG A 9 -8.398 1.516 7.184 1.00 50.04 N ATOM 0 H ARG A 9 -0.229 0.519 4.510 1.00 15.44 H new ATOM 0 HA ARG A 9 -2.713 1.941 3.700 1.00 72.23 H new ATOM 0 HB2 ARG A 9 -2.990 -0.062 5.263 1.00 5.12 H new ATOM 0 HB3 ARG A 9 -2.053 0.837 6.440 1.00 5.12 H new ATOM 0 HG2 ARG A 9 -3.719 2.582 6.562 1.00 54.31 H new ATOM 0 HG3 ARG A 9 -4.585 1.940 5.180 1.00 54.31 H new ATOM 0 HD2 ARG A 9 -4.962 -0.196 6.503 1.00 61.12 H new ATOM 0 HD3 ARG A 9 -4.253 0.601 7.893 1.00 61.12 H new ATOM 0 HE ARG A 9 -6.118 2.190 7.899 1.00 61.43 H new ATOM 0 HH11 ARG A 9 -6.454 -0.657 5.822 1.00 23.54 H new ATOM 0 HH12 ARG A 9 -8.213 -0.523 5.736 1.00 23.54 H new ATOM 0 HH21 ARG A 9 -8.371 2.338 7.787 1.00 50.04 H new ATOM 0 HH22 ARG A 9 -9.292 1.163 6.842 1.00 50.04 H new ATOM 144 N VAL A 10 -1.791 4.067 4.582 1.00 14.35 N ATOM 145 CA VAL A 10 -1.153 5.327 4.936 1.00 4.23 C ATOM 146 C VAL A 10 -1.253 5.581 6.437 1.00 20.31 C ATOM 147 O VAL A 10 -2.332 5.857 6.967 1.00 62.24 O ATOM 148 CB VAL A 10 -1.765 6.515 4.162 1.00 41.41 C ATOM 149 CG1 VAL A 10 -1.044 7.810 4.506 1.00 65.33 C ATOM 150 CG2 VAL A 10 -1.720 6.256 2.660 1.00 61.54 C ATOM 0 H VAL A 10 -2.647 4.164 4.036 1.00 14.35 H new ATOM 0 HA VAL A 10 -0.103 5.245 4.656 1.00 4.23 H new ATOM 0 HB VAL A 10 -2.808 6.617 4.461 1.00 41.41 H new ATOM 0 HG11 VAL A 10 -1.491 8.634 3.950 1.00 65.33 H new ATOM 0 HG12 VAL A 10 -1.133 8.003 5.575 1.00 65.33 H new ATOM 0 HG13 VAL A 10 0.009 7.722 4.240 1.00 65.33 H new ATOM 0 HG21 VAL A 10 -2.156 7.104 2.131 1.00 61.54 H new ATOM 0 HG22 VAL A 10 -0.685 6.124 2.344 1.00 61.54 H new ATOM 0 HG23 VAL A 10 -2.287 5.354 2.429 1.00 61.54 H new ATOM 160 N THR A 11 -0.117 5.467 7.112 1.00 72.00 N ATOM 161 CA THR A 11 -0.050 5.655 8.551 1.00 14.52 C ATOM 162 C THR A 11 0.184 7.128 8.886 1.00 70.22 C ATOM 163 O THR A 11 -0.042 7.570 10.015 1.00 34.33 O ATOM 164 CB THR A 11 1.086 4.806 9.154 1.00 42.12 C ATOM 165 OG1 THR A 11 1.048 3.483 8.600 1.00 43.34 O ATOM 166 CG2 THR A 11 0.968 4.720 10.669 1.00 65.15 C ATOM 0 H THR A 11 0.779 5.243 6.678 1.00 72.00 H new ATOM 0 HA THR A 11 -1.000 5.336 8.979 1.00 14.52 H new ATOM 0 HB THR A 11 2.033 5.287 8.909 1.00 42.12 H new ATOM 0 HG1 THR A 11 1.962 3.175 8.426 1.00 43.34 H new ATOM 0 HG21 THR A 11 1.784 4.114 11.064 1.00 65.15 H new ATOM 0 HG22 THR A 11 1.020 5.722 11.095 1.00 65.15 H new ATOM 0 HG23 THR A 11 0.015 4.262 10.934 1.00 65.15 H new ATOM 174 N ASN A 12 0.647 7.885 7.894 1.00 21.24 N ATOM 175 CA ASN A 12 0.907 9.311 8.071 1.00 0.42 C ATOM 176 C ASN A 12 -0.395 10.068 8.302 1.00 52.11 C ATOM 177 O ASN A 12 -1.189 10.257 7.381 1.00 13.21 O ATOM 178 CB ASN A 12 1.648 9.876 6.855 1.00 31.43 C ATOM 179 CG ASN A 12 1.944 11.360 6.986 1.00 31.11 C ATOM 180 OD1 ASN A 12 2.100 11.884 8.090 1.00 31.14 O ATOM 181 ND2 ASN A 12 2.040 12.043 5.856 1.00 71.22 N ATOM 0 H ASN A 12 0.850 7.534 6.958 1.00 21.24 H new ATOM 0 HA ASN A 12 1.539 9.439 8.950 1.00 0.42 H new ATOM 0 HB2 ASN A 12 2.584 9.334 6.721 1.00 31.43 H new ATOM 0 HB3 ASN A 12 1.050 9.707 5.959 1.00 31.43 H new ATOM 0 HD21 ASN A 12 2.250 13.041 5.879 1.00 71.22 H new ATOM 0 HD22 ASN A 12 1.904 11.571 4.962 1.00 71.22 H new ATOM 188 N VAL A 13 -0.603 10.494 9.539 1.00 54.01 N ATOM 189 CA VAL A 13 -1.835 11.168 9.931 1.00 74.14 C ATOM 190 C VAL A 13 -1.861 12.593 9.389 1.00 1.12 C ATOM 191 O VAL A 13 -2.924 13.178 9.173 1.00 60.30 O ATOM 192 CB VAL A 13 -1.990 11.203 11.468 1.00 51.44 C ATOM 193 CG1 VAL A 13 -3.356 11.738 11.867 1.00 41.11 C ATOM 194 CG2 VAL A 13 -1.757 9.824 12.069 1.00 34.44 C ATOM 0 H VAL A 13 0.072 10.384 10.296 1.00 54.01 H new ATOM 0 HA VAL A 13 -2.666 10.603 9.508 1.00 74.14 H new ATOM 0 HB VAL A 13 -1.233 11.880 11.864 1.00 51.44 H new ATOM 0 HG11 VAL A 13 -3.438 11.752 12.954 1.00 41.11 H new ATOM 0 HG12 VAL A 13 -3.477 12.750 11.481 1.00 41.11 H new ATOM 0 HG13 VAL A 13 -4.133 11.096 11.453 1.00 41.11 H new ATOM 0 HG21 VAL A 13 -1.872 9.875 13.152 1.00 34.44 H new ATOM 0 HG22 VAL A 13 -2.483 9.121 11.660 1.00 34.44 H new ATOM 0 HG23 VAL A 13 -0.749 9.487 11.826 1.00 34.44 H new ATOM 204 N ASP A 14 -0.676 13.130 9.150 1.00 24.33 N ATOM 205 CA ASP A 14 -0.521 14.502 8.678 1.00 71.14 C ATOM 206 C ASP A 14 -1.074 14.665 7.266 1.00 60.54 C ATOM 207 O ASP A 14 -1.518 15.747 6.879 1.00 64.51 O ATOM 208 CB ASP A 14 0.959 14.891 8.712 1.00 22.00 C ATOM 209 CG ASP A 14 1.218 16.288 8.188 1.00 12.31 C ATOM 210 OD1 ASP A 14 1.042 17.254 8.955 1.00 55.34 O ATOM 211 OD2 ASP A 14 1.622 16.424 7.016 1.00 52.13 O ATOM 0 H ASP A 14 0.205 12.632 9.276 1.00 24.33 H new ATOM 0 HA ASP A 14 -1.087 15.160 9.337 1.00 71.14 H new ATOM 0 HB2 ASP A 14 1.324 14.820 9.737 1.00 22.00 H new ATOM 0 HB3 ASP A 14 1.530 14.176 8.120 1.00 22.00 H new ATOM 216 N ASP A 15 -1.070 13.580 6.508 1.00 41.24 N ATOM 217 CA ASP A 15 -1.495 13.621 5.116 1.00 62.24 C ATOM 218 C ASP A 15 -3.008 13.453 5.007 1.00 62.24 C ATOM 219 O ASP A 15 -3.665 13.034 5.962 1.00 32.53 O ATOM 220 CB ASP A 15 -0.787 12.530 4.310 1.00 23.21 C ATOM 221 CG ASP A 15 -0.884 12.768 2.818 1.00 54.53 C ATOM 222 OD1 ASP A 15 -0.026 13.495 2.276 1.00 55.24 O ATOM 223 OD2 ASP A 15 -1.827 12.254 2.189 1.00 63.01 O ATOM 0 H ASP A 15 -0.777 12.659 6.833 1.00 41.24 H new ATOM 0 HA ASP A 15 -1.224 14.594 4.707 1.00 62.24 H new ATOM 0 HB2 ASP A 15 0.262 12.488 4.602 1.00 23.21 H new ATOM 0 HB3 ASP A 15 -1.224 11.561 4.551 1.00 23.21 H new ATOM 228 N THR A 16 -3.554 13.777 3.842 1.00 52.02 N ATOM 229 CA THR A 16 -4.988 13.694 3.608 1.00 24.51 C ATOM 230 C THR A 16 -5.395 12.266 3.250 1.00 61.05 C ATOM 231 O THR A 16 -6.542 11.868 3.454 1.00 3.11 O ATOM 232 CB THR A 16 -5.414 14.646 2.472 1.00 52.23 C ATOM 233 OG1 THR A 16 -4.762 15.917 2.627 1.00 20.51 O ATOM 234 CG2 THR A 16 -6.922 14.852 2.469 1.00 72.33 C ATOM 0 H THR A 16 -3.018 14.103 3.038 1.00 52.02 H new ATOM 0 HA THR A 16 -5.491 13.990 4.529 1.00 24.51 H new ATOM 0 HB THR A 16 -5.121 14.193 1.525 1.00 52.23 H new ATOM 0 HG1 THR A 16 -5.036 16.516 1.901 1.00 20.51 H new ATOM 0 HG21 THR A 16 -7.195 15.527 1.658 1.00 72.33 H new ATOM 0 HG22 THR A 16 -7.420 13.893 2.326 1.00 72.33 H new ATOM 0 HG23 THR A 16 -7.232 15.283 3.421 1.00 72.33 H new ATOM 242 N TYR A 17 -4.444 11.490 2.737 1.00 72.21 N ATOM 243 CA TYR A 17 -4.716 10.111 2.343 1.00 52.10 C ATOM 244 C TYR A 17 -4.583 9.166 3.532 1.00 64.34 C ATOM 245 O TYR A 17 -4.406 7.960 3.365 1.00 1.52 O ATOM 246 CB TYR A 17 -3.775 9.670 1.217 1.00 24.11 C ATOM 247 CG TYR A 17 -4.012 10.378 -0.099 1.00 64.30 C ATOM 248 CD1 TYR A 17 -4.997 9.938 -0.976 1.00 71.12 C ATOM 249 CD2 TYR A 17 -3.252 11.480 -0.469 1.00 24.20 C ATOM 250 CE1 TYR A 17 -5.216 10.577 -2.183 1.00 11.51 C ATOM 251 CE2 TYR A 17 -3.467 12.126 -1.672 1.00 61.45 C ATOM 252 CZ TYR A 17 -4.449 11.671 -2.526 1.00 34.25 C ATOM 253 OH TYR A 17 -4.662 12.312 -3.728 1.00 25.33 O ATOM 0 H TYR A 17 -3.481 11.791 2.585 1.00 72.21 H new ATOM 0 HA TYR A 17 -5.742 10.068 1.979 1.00 52.10 H new ATOM 0 HB2 TYR A 17 -2.745 9.843 1.530 1.00 24.11 H new ATOM 0 HB3 TYR A 17 -3.886 8.596 1.065 1.00 24.11 H new ATOM 0 HD1 TYR A 17 -5.601 9.083 -0.710 1.00 71.12 H new ATOM 0 HD2 TYR A 17 -2.479 11.839 0.195 1.00 24.20 H new ATOM 0 HE1 TYR A 17 -5.984 10.221 -2.854 1.00 11.51 H new ATOM 0 HE2 TYR A 17 -2.868 12.983 -1.942 1.00 61.45 H new ATOM 0 HH TYR A 17 -4.038 13.063 -3.813 1.00 25.33 H new ATOM 263 N TYR A 18 -4.697 9.718 4.727 1.00 44.41 N ATOM 264 CA TYR A 18 -4.627 8.934 5.947 1.00 20.15 C ATOM 265 C TYR A 18 -5.783 7.936 6.002 1.00 14.22 C ATOM 266 O TYR A 18 -6.931 8.289 5.725 1.00 73.33 O ATOM 267 CB TYR A 18 -4.648 9.859 7.170 1.00 25.33 C ATOM 268 CG TYR A 18 -4.694 9.129 8.495 1.00 43.12 C ATOM 269 CD1 TYR A 18 -3.752 8.155 8.812 1.00 65.51 C ATOM 270 CD2 TYR A 18 -5.687 9.408 9.427 1.00 24.44 C ATOM 271 CE1 TYR A 18 -3.800 7.483 10.016 1.00 11.11 C ATOM 272 CE2 TYR A 18 -5.738 8.737 10.634 1.00 2.40 C ATOM 273 CZ TYR A 18 -4.793 7.778 10.923 1.00 11.33 C ATOM 274 OH TYR A 18 -4.848 7.104 12.118 1.00 11.43 O ATOM 0 H TYR A 18 -4.840 10.716 4.879 1.00 44.41 H new ATOM 0 HA TYR A 18 -3.692 8.374 5.955 1.00 20.15 H new ATOM 0 HB2 TYR A 18 -3.762 10.494 7.147 1.00 25.33 H new ATOM 0 HB3 TYR A 18 -5.514 10.517 7.100 1.00 25.33 H new ATOM 0 HD1 TYR A 18 -2.971 7.921 8.104 1.00 65.51 H new ATOM 0 HD2 TYR A 18 -6.429 10.160 9.205 1.00 24.44 H new ATOM 0 HE1 TYR A 18 -3.062 6.729 10.246 1.00 11.11 H new ATOM 0 HE2 TYR A 18 -6.516 8.964 11.348 1.00 2.40 H new ATOM 0 HH TYR A 18 -5.607 7.432 12.644 1.00 11.43 H new ATOM 284 N ARG A 19 -5.451 6.687 6.335 1.00 2.23 N ATOM 285 CA ARG A 19 -6.420 5.587 6.436 1.00 31.40 C ATOM 286 C ARG A 19 -6.839 5.059 5.066 1.00 72.34 C ATOM 287 O ARG A 19 -7.684 4.169 4.977 1.00 52.43 O ATOM 288 CB ARG A 19 -7.661 5.973 7.250 1.00 13.12 C ATOM 289 CG ARG A 19 -7.428 6.000 8.749 1.00 63.43 C ATOM 290 CD ARG A 19 -8.741 6.127 9.502 1.00 31.03 C ATOM 291 NE ARG A 19 -8.578 5.918 10.941 1.00 40.40 N ATOM 292 CZ ARG A 19 -9.531 5.421 11.729 1.00 20.41 C ATOM 293 NH1 ARG A 19 -10.713 5.099 11.228 1.00 40.25 N ATOM 294 NH2 ARG A 19 -9.297 5.255 13.021 1.00 0.32 N ATOM 0 H ARG A 19 -4.493 6.405 6.545 1.00 2.23 H new ATOM 0 HA ARG A 19 -5.902 4.788 6.967 1.00 31.40 H new ATOM 0 HB2 ARG A 19 -8.004 6.956 6.928 1.00 13.12 H new ATOM 0 HB3 ARG A 19 -8.462 5.268 7.029 1.00 13.12 H new ATOM 0 HG2 ARG A 19 -6.915 5.089 9.057 1.00 63.43 H new ATOM 0 HG3 ARG A 19 -6.776 6.835 9.004 1.00 63.43 H new ATOM 0 HD2 ARG A 19 -9.164 7.116 9.326 1.00 31.03 H new ATOM 0 HD3 ARG A 19 -9.454 5.401 9.110 1.00 31.03 H new ATOM 0 HE ARG A 19 -7.684 6.167 11.365 1.00 40.40 H new ATOM 0 HH11 ARG A 19 -10.899 5.231 10.234 1.00 40.25 H new ATOM 0 HH12 ARG A 19 -11.438 4.719 11.836 1.00 40.25 H new ATOM 0 HH21 ARG A 19 -8.389 5.507 13.411 1.00 0.32 H new ATOM 0 HH22 ARG A 19 -10.025 4.875 13.626 1.00 0.32 H new ATOM 308 N PHE A 20 -6.249 5.591 4.003 1.00 21.53 N ATOM 309 CA PHE A 20 -6.509 5.076 2.672 1.00 75.35 C ATOM 310 C PHE A 20 -5.610 3.884 2.384 1.00 30.11 C ATOM 311 O PHE A 20 -4.553 3.722 3.004 1.00 75.31 O ATOM 312 CB PHE A 20 -6.308 6.158 1.613 1.00 52.01 C ATOM 313 CG PHE A 20 -7.462 7.114 1.497 1.00 20.45 C ATOM 314 CD1 PHE A 20 -7.581 8.190 2.361 1.00 75.04 C ATOM 315 CD2 PHE A 20 -8.424 6.932 0.522 1.00 70.42 C ATOM 316 CE1 PHE A 20 -8.642 9.068 2.252 1.00 12.31 C ATOM 317 CE2 PHE A 20 -9.488 7.807 0.405 1.00 25.44 C ATOM 318 CZ PHE A 20 -9.598 8.878 1.273 1.00 34.12 C ATOM 0 H PHE A 20 -5.594 6.372 4.039 1.00 21.53 H new ATOM 0 HA PHE A 20 -7.549 4.754 2.632 1.00 75.35 H new ATOM 0 HB2 PHE A 20 -5.404 6.720 1.848 1.00 52.01 H new ATOM 0 HB3 PHE A 20 -6.144 5.682 0.646 1.00 52.01 H new ATOM 0 HD1 PHE A 20 -6.836 8.344 3.128 1.00 75.04 H new ATOM 0 HD2 PHE A 20 -8.344 6.096 -0.157 1.00 70.42 H new ATOM 0 HE1 PHE A 20 -8.724 9.903 2.932 1.00 12.31 H new ATOM 0 HE2 PHE A 20 -10.232 7.654 -0.363 1.00 25.44 H new ATOM 0 HZ PHE A 20 -10.428 9.563 1.186 1.00 34.12 H new ATOM 328 N GLU A 21 -6.040 3.053 1.451 1.00 63.54 N ATOM 329 CA GLU A 21 -5.314 1.846 1.098 1.00 64.30 C ATOM 330 C GLU A 21 -4.875 1.906 -0.358 1.00 64.30 C ATOM 331 O GLU A 21 -5.609 2.403 -1.210 1.00 41.33 O ATOM 332 CB GLU A 21 -6.198 0.619 1.323 1.00 42.03 C ATOM 333 CG GLU A 21 -6.690 0.475 2.753 1.00 54.21 C ATOM 334 CD GLU A 21 -7.693 -0.648 2.915 1.00 12.00 C ATOM 335 OE1 GLU A 21 -7.269 -1.809 3.097 1.00 41.45 O ATOM 336 OE2 GLU A 21 -8.909 -0.375 2.874 1.00 72.32 O ATOM 0 H GLU A 21 -6.899 3.195 0.919 1.00 63.54 H new ATOM 0 HA GLU A 21 -4.430 1.770 1.732 1.00 64.30 H new ATOM 0 HB2 GLU A 21 -7.058 0.675 0.656 1.00 42.03 H new ATOM 0 HB3 GLU A 21 -5.639 -0.276 1.048 1.00 42.03 H new ATOM 0 HG2 GLU A 21 -5.839 0.294 3.409 1.00 54.21 H new ATOM 0 HG3 GLU A 21 -7.145 1.412 3.073 1.00 54.21 H new ATOM 343 N GLY A 22 -3.683 1.409 -0.638 1.00 15.51 N ATOM 344 CA GLY A 22 -3.187 1.409 -1.997 1.00 51.23 C ATOM 345 C GLY A 22 -2.120 0.362 -2.204 1.00 2.12 C ATOM 346 O GLY A 22 -1.581 -0.181 -1.236 1.00 43.53 O ATOM 0 H GLY A 22 -3.049 1.005 0.051 1.00 15.51 H new ATOM 0 HA2 GLY A 22 -4.013 1.228 -2.685 1.00 51.23 H new ATOM 0 HA3 GLY A 22 -2.783 2.392 -2.236 1.00 51.23 H new ATOM 350 N LEU A 23 -1.815 0.068 -3.457 1.00 73.11 N ATOM 351 CA LEU A 23 -0.813 -0.922 -3.778 1.00 53.43 C ATOM 352 C LEU A 23 0.468 -0.245 -4.235 1.00 5.15 C ATOM 353 O LEU A 23 0.436 0.653 -5.081 1.00 61.12 O ATOM 354 CB LEU A 23 -1.325 -1.863 -4.868 1.00 42.43 C ATOM 355 CG LEU A 23 -2.292 -2.960 -4.406 1.00 2.33 C ATOM 356 CD1 LEU A 23 -3.653 -2.385 -4.048 1.00 15.31 C ATOM 357 CD2 LEU A 23 -2.432 -4.027 -5.480 1.00 13.33 C ATOM 0 H LEU A 23 -2.252 0.506 -4.268 1.00 73.11 H new ATOM 0 HA LEU A 23 -0.603 -1.505 -2.881 1.00 53.43 H new ATOM 0 HB2 LEU A 23 -1.822 -1.266 -5.632 1.00 42.43 H new ATOM 0 HB3 LEU A 23 -0.467 -2.338 -5.343 1.00 42.43 H new ATOM 0 HG LEU A 23 -1.877 -3.416 -3.507 1.00 2.33 H new ATOM 0 HD11 LEU A 23 -4.314 -3.189 -3.725 1.00 15.31 H new ATOM 0 HD12 LEU A 23 -3.541 -1.661 -3.241 1.00 15.31 H new ATOM 0 HD13 LEU A 23 -4.081 -1.892 -4.921 1.00 15.31 H new ATOM 0 HD21 LEU A 23 -3.121 -4.799 -5.138 1.00 13.33 H new ATOM 0 HD22 LEU A 23 -2.818 -3.575 -6.394 1.00 13.33 H new ATOM 0 HD23 LEU A 23 -1.458 -4.473 -5.679 1.00 13.33 H new ATOM 369 N VAL A 24 1.583 -0.671 -3.668 1.00 25.11 N ATOM 370 CA VAL A 24 2.881 -0.129 -4.030 1.00 43.24 C ATOM 371 C VAL A 24 3.266 -0.580 -5.426 1.00 74.02 C ATOM 372 O VAL A 24 3.434 -1.770 -5.678 1.00 52.30 O ATOM 373 CB VAL A 24 3.974 -0.564 -3.035 1.00 32.45 C ATOM 374 CG1 VAL A 24 5.322 0.019 -3.429 1.00 34.52 C ATOM 375 CG2 VAL A 24 3.606 -0.140 -1.625 1.00 35.41 C ATOM 0 H VAL A 24 1.615 -1.395 -2.951 1.00 25.11 H new ATOM 0 HA VAL A 24 2.802 0.958 -4.001 1.00 43.24 H new ATOM 0 HB VAL A 24 4.049 -1.651 -3.063 1.00 32.45 H new ATOM 0 HG11 VAL A 24 6.080 -0.300 -2.713 1.00 34.52 H new ATOM 0 HG12 VAL A 24 5.593 -0.331 -4.425 1.00 34.52 H new ATOM 0 HG13 VAL A 24 5.261 1.107 -3.431 1.00 34.52 H new ATOM 0 HG21 VAL A 24 4.388 -0.455 -0.934 1.00 35.41 H new ATOM 0 HG22 VAL A 24 3.503 0.944 -1.586 1.00 35.41 H new ATOM 0 HG23 VAL A 24 2.662 -0.605 -1.340 1.00 35.41 H new ATOM 385 N GLN A 25 3.408 0.371 -6.328 1.00 53.32 N ATOM 386 CA GLN A 25 3.731 0.059 -7.711 1.00 73.33 C ATOM 387 C GLN A 25 5.227 -0.133 -7.871 1.00 75.34 C ATOM 388 O GLN A 25 5.688 -0.912 -8.698 1.00 11.23 O ATOM 389 CB GLN A 25 3.253 1.174 -8.635 1.00 62.52 C ATOM 390 CG GLN A 25 1.742 1.357 -8.660 1.00 24.42 C ATOM 391 CD GLN A 25 0.985 0.062 -8.895 1.00 70.35 C ATOM 392 OE1 GLN A 25 0.753 -0.337 -10.036 1.00 50.12 O ATOM 393 NE2 GLN A 25 0.568 -0.586 -7.818 1.00 61.44 N ATOM 0 H GLN A 25 3.305 1.366 -6.131 1.00 53.32 H new ATOM 0 HA GLN A 25 3.222 -0.866 -7.982 1.00 73.33 H new ATOM 0 HB2 GLN A 25 3.716 2.111 -8.326 1.00 62.52 H new ATOM 0 HB3 GLN A 25 3.600 0.966 -9.647 1.00 62.52 H new ATOM 0 HG2 GLN A 25 1.420 1.792 -7.714 1.00 24.42 H new ATOM 0 HG3 GLN A 25 1.482 2.069 -9.443 1.00 24.42 H new ATOM 0 HE21 GLN A 25 0.781 -0.222 -6.889 1.00 61.44 H new ATOM 0 HE22 GLN A 25 0.034 -1.449 -7.917 1.00 61.44 H new ATOM 402 N ARG A 26 5.971 0.594 -7.061 1.00 1.41 N ATOM 403 CA ARG A 26 7.419 0.565 -7.113 1.00 3.14 C ATOM 404 C ARG A 26 8.005 1.035 -5.793 1.00 51.02 C ATOM 405 O ARG A 26 7.624 2.082 -5.267 1.00 40.33 O ATOM 406 CB ARG A 26 7.941 1.434 -8.263 1.00 63.22 C ATOM 407 CG ARG A 26 7.227 2.768 -8.404 1.00 73.33 C ATOM 408 CD ARG A 26 7.952 3.700 -9.359 1.00 14.14 C ATOM 409 NE ARG A 26 9.183 4.237 -8.781 1.00 20.34 N ATOM 410 CZ ARG A 26 9.669 5.445 -9.071 1.00 32.21 C ATOM 411 NH1 ARG A 26 9.066 6.203 -9.983 1.00 71.30 N ATOM 412 NH2 ARG A 26 10.753 5.894 -8.453 1.00 2.00 N ATOM 0 H ARG A 26 5.590 1.219 -6.351 1.00 1.41 H new ATOM 0 HA ARG A 26 7.732 -0.464 -7.291 1.00 3.14 H new ATOM 0 HB2 ARG A 26 9.005 1.617 -8.112 1.00 63.22 H new ATOM 0 HB3 ARG A 26 7.842 0.880 -9.197 1.00 63.22 H new ATOM 0 HG2 ARG A 26 6.211 2.600 -8.762 1.00 73.33 H new ATOM 0 HG3 ARG A 26 7.146 3.242 -7.426 1.00 73.33 H new ATOM 0 HD2 ARG A 26 8.188 3.163 -10.278 1.00 14.14 H new ATOM 0 HD3 ARG A 26 7.292 4.523 -9.632 1.00 14.14 H new ATOM 0 HE ARG A 26 9.698 3.656 -8.120 1.00 20.34 H new ATOM 0 HH11 ARG A 26 8.232 5.860 -10.460 1.00 71.30 H new ATOM 0 HH12 ARG A 26 9.437 7.127 -10.205 1.00 71.30 H new ATOM 0 HH21 ARG A 26 11.218 5.315 -7.754 1.00 2.00 H new ATOM 0 HH22 ARG A 26 11.122 6.818 -8.677 1.00 2.00 H new ATOM 426 N VAL A 27 8.903 0.234 -5.251 1.00 73.52 N ATOM 427 CA VAL A 27 9.614 0.590 -4.034 1.00 72.02 C ATOM 428 C VAL A 27 10.986 1.151 -4.377 1.00 40.33 C ATOM 429 O VAL A 27 11.802 0.478 -5.009 1.00 5.10 O ATOM 430 CB VAL A 27 9.789 -0.620 -3.091 1.00 34.21 C ATOM 431 CG1 VAL A 27 10.522 -0.216 -1.820 1.00 75.42 C ATOM 432 CG2 VAL A 27 8.442 -1.236 -2.751 1.00 13.35 C ATOM 0 H VAL A 27 9.160 -0.675 -5.637 1.00 73.52 H new ATOM 0 HA VAL A 27 9.015 1.341 -3.519 1.00 72.02 H new ATOM 0 HB VAL A 27 10.390 -1.366 -3.611 1.00 34.21 H new ATOM 0 HG11 VAL A 27 10.633 -1.085 -1.172 1.00 75.42 H new ATOM 0 HG12 VAL A 27 11.507 0.174 -2.076 1.00 75.42 H new ATOM 0 HG13 VAL A 27 9.952 0.554 -1.300 1.00 75.42 H new ATOM 0 HG21 VAL A 27 8.589 -2.087 -2.086 1.00 13.35 H new ATOM 0 HG22 VAL A 27 7.816 -0.493 -2.257 1.00 13.35 H new ATOM 0 HG23 VAL A 27 7.954 -1.571 -3.666 1.00 13.35 H new ATOM 442 N SER A 28 11.226 2.383 -3.973 1.00 64.35 N ATOM 443 CA SER A 28 12.515 3.012 -4.165 1.00 72.32 C ATOM 444 C SER A 28 13.282 2.986 -2.849 1.00 4.21 C ATOM 445 O SER A 28 12.787 2.455 -1.851 1.00 54.44 O ATOM 446 CB SER A 28 12.325 4.448 -4.658 1.00 74.31 C ATOM 447 OG SER A 28 11.544 4.473 -5.845 1.00 64.43 O ATOM 0 H SER A 28 10.537 2.972 -3.505 1.00 64.35 H new ATOM 0 HA SER A 28 13.086 2.469 -4.918 1.00 72.32 H new ATOM 0 HB2 SER A 28 11.839 5.042 -3.884 1.00 74.31 H new ATOM 0 HB3 SER A 28 13.297 4.905 -4.847 1.00 74.31 H new ATOM 0 HG SER A 28 10.819 5.125 -5.746 1.00 64.43 H new ATOM 453 N ASP A 29 14.482 3.545 -2.838 1.00 54.53 N ATOM 454 CA ASP A 29 15.288 3.566 -1.630 1.00 70.22 C ATOM 455 C ASP A 29 14.777 4.639 -0.680 1.00 42.34 C ATOM 456 O ASP A 29 15.262 5.769 -0.671 1.00 2.23 O ATOM 457 CB ASP A 29 16.766 3.801 -1.951 1.00 64.32 C ATOM 458 CG ASP A 29 17.675 3.462 -0.782 1.00 3.33 C ATOM 459 OD1 ASP A 29 17.845 4.309 0.121 1.00 32.31 O ATOM 460 OD2 ASP A 29 18.223 2.341 -0.763 1.00 1.44 O ATOM 0 H ASP A 29 14.916 3.988 -3.648 1.00 54.53 H new ATOM 0 HA ASP A 29 15.202 2.592 -1.149 1.00 70.22 H new ATOM 0 HB2 ASP A 29 17.048 3.197 -2.814 1.00 64.32 H new ATOM 0 HB3 ASP A 29 16.913 4.844 -2.231 1.00 64.32 H new ATOM 465 N GLY A 30 13.743 4.292 0.060 1.00 74.11 N ATOM 466 CA GLY A 30 13.212 5.182 1.075 1.00 3.25 C ATOM 467 C GLY A 30 11.753 5.512 0.848 1.00 63.22 C ATOM 468 O GLY A 30 10.999 5.726 1.801 1.00 35.44 O ATOM 0 H GLY A 30 13.253 3.401 -0.022 1.00 74.11 H new ATOM 0 HA2 GLY A 30 13.329 4.721 2.056 1.00 3.25 H new ATOM 0 HA3 GLY A 30 13.793 6.104 1.085 1.00 3.25 H new ATOM 472 N LYS A 31 11.350 5.543 -0.415 1.00 31.14 N ATOM 473 CA LYS A 31 9.995 5.888 -0.777 1.00 13.15 C ATOM 474 C LYS A 31 9.318 4.750 -1.535 1.00 51.34 C ATOM 475 O LYS A 31 9.984 3.878 -2.091 1.00 1.23 O ATOM 476 CB LYS A 31 10.001 7.147 -1.637 1.00 44.00 C ATOM 477 CG LYS A 31 10.261 8.426 -0.855 1.00 52.35 C ATOM 478 CD LYS A 31 10.299 9.641 -1.769 1.00 31.45 C ATOM 479 CE LYS A 31 10.572 10.916 -0.988 1.00 41.53 C ATOM 480 NZ LYS A 31 10.695 12.099 -1.882 1.00 42.42 N ATOM 0 H LYS A 31 11.954 5.330 -1.209 1.00 31.14 H new ATOM 0 HA LYS A 31 9.432 6.068 0.139 1.00 13.15 H new ATOM 0 HB2 LYS A 31 10.763 7.044 -2.410 1.00 44.00 H new ATOM 0 HB3 LYS A 31 9.041 7.232 -2.146 1.00 44.00 H new ATOM 0 HG2 LYS A 31 9.482 8.559 -0.104 1.00 52.35 H new ATOM 0 HG3 LYS A 31 11.208 8.341 -0.321 1.00 52.35 H new ATOM 0 HD2 LYS A 31 11.071 9.504 -2.526 1.00 31.45 H new ATOM 0 HD3 LYS A 31 9.349 9.732 -2.295 1.00 31.45 H new ATOM 0 HE2 LYS A 31 9.766 11.083 -0.273 1.00 41.53 H new ATOM 0 HE3 LYS A 31 11.490 10.799 -0.412 1.00 41.53 H new ATOM 0 HZ1 LYS A 31 10.881 12.948 -1.311 1.00 42.42 H new ATOM 0 HZ2 LYS A 31 11.480 11.951 -2.548 1.00 42.42 H new ATOM 0 HZ3 LYS A 31 9.810 12.226 -2.413 1.00 42.42 H new ATOM 494 N ALA A 32 7.996 4.770 -1.553 1.00 0.51 N ATOM 495 CA ALA A 32 7.214 3.788 -2.285 1.00 71.12 C ATOM 496 C ALA A 32 6.059 4.476 -2.998 1.00 25.22 C ATOM 497 O ALA A 32 5.390 5.336 -2.421 1.00 40.34 O ATOM 498 CB ALA A 32 6.694 2.715 -1.342 1.00 55.40 C ATOM 0 H ALA A 32 7.435 5.466 -1.062 1.00 0.51 H new ATOM 0 HA ALA A 32 7.852 3.310 -3.028 1.00 71.12 H new ATOM 0 HB1 ALA A 32 6.110 1.987 -1.906 1.00 55.40 H new ATOM 0 HB2 ALA A 32 7.535 2.213 -0.863 1.00 55.40 H new ATOM 0 HB3 ALA A 32 6.064 3.174 -0.581 1.00 55.40 H new ATOM 504 N ALA A 33 5.828 4.112 -4.249 1.00 14.40 N ATOM 505 CA ALA A 33 4.785 4.749 -5.034 1.00 4.31 C ATOM 506 C ALA A 33 3.467 4.020 -4.847 1.00 32.55 C ATOM 507 O ALA A 33 3.297 2.890 -5.310 1.00 5.12 O ATOM 508 CB ALA A 33 5.176 4.799 -6.500 1.00 23.41 C ATOM 0 H ALA A 33 6.346 3.383 -4.740 1.00 14.40 H new ATOM 0 HA ALA A 33 4.661 5.774 -4.685 1.00 4.31 H new ATOM 0 HB1 ALA A 33 4.382 5.280 -7.072 1.00 23.41 H new ATOM 0 HB2 ALA A 33 6.099 5.368 -6.611 1.00 23.41 H new ATOM 0 HB3 ALA A 33 5.328 3.785 -6.871 1.00 23.41 H new ATOM 514 N VAL A 34 2.548 4.667 -4.153 1.00 44.02 N ATOM 515 CA VAL A 34 1.260 4.073 -3.853 1.00 15.25 C ATOM 516 C VAL A 34 0.246 4.437 -4.924 1.00 55.31 C ATOM 517 O VAL A 34 0.063 5.611 -5.254 1.00 3.00 O ATOM 518 CB VAL A 34 0.740 4.532 -2.474 1.00 52.42 C ATOM 519 CG1 VAL A 34 -0.573 3.847 -2.130 1.00 64.43 C ATOM 520 CG2 VAL A 34 1.780 4.267 -1.401 1.00 24.55 C ATOM 0 H VAL A 34 2.672 5.610 -3.785 1.00 44.02 H new ATOM 0 HA VAL A 34 1.392 2.991 -3.832 1.00 15.25 H new ATOM 0 HB VAL A 34 0.556 5.605 -2.520 1.00 52.42 H new ATOM 0 HG11 VAL A 34 -0.917 4.189 -1.154 1.00 64.43 H new ATOM 0 HG12 VAL A 34 -1.320 4.093 -2.884 1.00 64.43 H new ATOM 0 HG13 VAL A 34 -0.425 2.767 -2.105 1.00 64.43 H new ATOM 0 HG21 VAL A 34 1.398 4.596 -0.435 1.00 24.55 H new ATOM 0 HG22 VAL A 34 1.997 3.200 -1.361 1.00 24.55 H new ATOM 0 HG23 VAL A 34 2.693 4.814 -1.636 1.00 24.55 H new ATOM 530 N LEU A 35 -0.390 3.426 -5.483 1.00 65.21 N ATOM 531 CA LEU A 35 -1.390 3.644 -6.510 1.00 61.11 C ATOM 532 C LEU A 35 -2.769 3.787 -5.893 1.00 52.42 C ATOM 533 O LEU A 35 -3.229 2.906 -5.162 1.00 33.41 O ATOM 534 CB LEU A 35 -1.409 2.486 -7.501 1.00 32.14 C ATOM 535 CG LEU A 35 -2.299 2.696 -8.724 1.00 45.21 C ATOM 536 CD1 LEU A 35 -1.773 3.831 -9.587 1.00 14.43 C ATOM 537 CD2 LEU A 35 -2.415 1.415 -9.527 1.00 11.21 C ATOM 0 H LEU A 35 -0.233 2.447 -5.244 1.00 65.21 H new ATOM 0 HA LEU A 35 -1.129 4.564 -7.034 1.00 61.11 H new ATOM 0 HB2 LEU A 35 -0.390 2.301 -7.840 1.00 32.14 H new ATOM 0 HB3 LEU A 35 -1.740 1.587 -6.980 1.00 32.14 H new ATOM 0 HG LEU A 35 -3.295 2.971 -8.377 1.00 45.21 H new ATOM 0 HD11 LEU A 35 -2.423 3.962 -10.452 1.00 14.43 H new ATOM 0 HD12 LEU A 35 -1.754 4.752 -9.005 1.00 14.43 H new ATOM 0 HD13 LEU A 35 -0.764 3.594 -9.924 1.00 14.43 H new ATOM 0 HD21 LEU A 35 -3.053 1.586 -10.394 1.00 11.21 H new ATOM 0 HD22 LEU A 35 -1.425 1.104 -9.861 1.00 11.21 H new ATOM 0 HD23 LEU A 35 -2.850 0.633 -8.904 1.00 11.21 H new ATOM 549 N PHE A 36 -3.414 4.897 -6.181 1.00 45.41 N ATOM 550 CA PHE A 36 -4.801 5.089 -5.813 1.00 53.02 C ATOM 551 C PHE A 36 -5.648 5.016 -7.069 1.00 21.04 C ATOM 552 O PHE A 36 -5.314 5.621 -8.089 1.00 14.24 O ATOM 553 CB PHE A 36 -5.014 6.431 -5.116 1.00 23.45 C ATOM 554 CG PHE A 36 -4.172 6.614 -3.884 1.00 52.11 C ATOM 555 CD1 PHE A 36 -4.562 6.057 -2.676 1.00 40.12 C ATOM 556 CD2 PHE A 36 -2.994 7.342 -3.931 1.00 35.12 C ATOM 557 CE1 PHE A 36 -3.792 6.221 -1.539 1.00 1.35 C ATOM 558 CE2 PHE A 36 -2.220 7.510 -2.800 1.00 61.12 C ATOM 559 CZ PHE A 36 -2.619 6.950 -1.601 1.00 10.40 C ATOM 0 H PHE A 36 -2.996 5.687 -6.673 1.00 45.41 H new ATOM 0 HA PHE A 36 -5.092 4.307 -5.112 1.00 53.02 H new ATOM 0 HB2 PHE A 36 -4.793 7.234 -5.819 1.00 23.45 H new ATOM 0 HB3 PHE A 36 -6.065 6.526 -4.844 1.00 23.45 H new ATOM 0 HD1 PHE A 36 -5.478 5.488 -2.622 1.00 40.12 H new ATOM 0 HD2 PHE A 36 -2.677 7.784 -4.864 1.00 35.12 H new ATOM 0 HE1 PHE A 36 -4.106 5.780 -0.604 1.00 1.35 H new ATOM 0 HE2 PHE A 36 -1.303 8.079 -2.852 1.00 61.12 H new ATOM 0 HZ PHE A 36 -2.016 7.082 -0.715 1.00 10.40 H new ATOM 569 N GLU A 37 -6.734 4.280 -6.998 1.00 12.11 N ATOM 570 CA GLU A 37 -7.550 4.025 -8.170 1.00 2.33 C ATOM 571 C GLU A 37 -9.023 4.007 -7.796 1.00 5.13 C ATOM 572 O GLU A 37 -9.432 3.313 -6.864 1.00 3.30 O ATOM 573 CB GLU A 37 -7.142 2.695 -8.809 1.00 21.21 C ATOM 574 CG GLU A 37 -7.811 2.421 -10.146 1.00 21.25 C ATOM 575 CD GLU A 37 -7.385 1.095 -10.748 1.00 1.13 C ATOM 576 OE1 GLU A 37 -7.947 0.049 -10.351 1.00 34.21 O ATOM 577 OE2 GLU A 37 -6.496 1.091 -11.626 1.00 72.12 O ATOM 0 H GLU A 37 -7.076 3.845 -6.141 1.00 12.11 H new ATOM 0 HA GLU A 37 -7.391 4.825 -8.893 1.00 2.33 H new ATOM 0 HB2 GLU A 37 -6.061 2.686 -8.947 1.00 21.21 H new ATOM 0 HB3 GLU A 37 -7.382 1.884 -8.121 1.00 21.21 H new ATOM 0 HG2 GLU A 37 -8.893 2.426 -10.015 1.00 21.25 H new ATOM 0 HG3 GLU A 37 -7.570 3.226 -10.841 1.00 21.25 H new ATOM 584 N ASN A 38 -9.814 4.776 -8.524 1.00 43.24 N ATOM 585 CA ASN A 38 -11.240 4.873 -8.268 1.00 1.12 C ATOM 586 C ASN A 38 -11.998 4.770 -9.583 1.00 5.01 C ATOM 587 O ASN A 38 -12.453 5.776 -10.135 1.00 30.44 O ATOM 588 CB ASN A 38 -11.571 6.194 -7.558 1.00 20.14 C ATOM 589 CG ASN A 38 -13.005 6.263 -7.066 1.00 13.33 C ATOM 590 OD1 ASN A 38 -13.309 5.859 -5.944 1.00 60.44 O ATOM 591 ND2 ASN A 38 -13.892 6.795 -7.893 1.00 42.31 N ATOM 0 H ASN A 38 -9.489 5.347 -9.304 1.00 43.24 H new ATOM 0 HA ASN A 38 -11.543 4.054 -7.615 1.00 1.12 H new ATOM 0 HB2 ASN A 38 -10.896 6.324 -6.712 1.00 20.14 H new ATOM 0 HB3 ASN A 38 -11.388 7.023 -8.242 1.00 20.14 H new ATOM 0 HD21 ASN A 38 -14.867 6.882 -7.608 1.00 42.31 H new ATOM 0 HD22 ASN A 38 -13.600 7.118 -8.815 1.00 42.31 H new ATOM 598 N GLY A 39 -12.071 3.555 -10.111 1.00 40.01 N ATOM 599 CA GLY A 39 -12.770 3.317 -11.358 1.00 5.11 C ATOM 600 C GLY A 39 -12.095 3.984 -12.539 1.00 0.00 C ATOM 601 O GLY A 39 -11.130 3.461 -13.094 1.00 20.23 O ATOM 0 H GLY A 39 -11.654 2.723 -9.693 1.00 40.01 H new ATOM 0 HA2 GLY A 39 -12.831 2.244 -11.537 1.00 5.11 H new ATOM 0 HA3 GLY A 39 -13.793 3.684 -11.273 1.00 5.11 H new ATOM 605 N ASN A 40 -12.597 5.149 -12.912 1.00 12.22 N ATOM 606 CA ASN A 40 -12.055 5.892 -14.041 1.00 44.21 C ATOM 607 C ASN A 40 -10.911 6.788 -13.581 1.00 30.35 C ATOM 608 O ASN A 40 -10.049 7.178 -14.368 1.00 5.13 O ATOM 609 CB ASN A 40 -13.161 6.738 -14.676 1.00 63.10 C ATOM 610 CG ASN A 40 -12.728 7.419 -15.962 1.00 14.31 C ATOM 611 OD1 ASN A 40 -11.907 6.896 -16.714 1.00 4.31 O ATOM 612 ND2 ASN A 40 -13.276 8.595 -16.220 1.00 71.21 N ATOM 0 H ASN A 40 -13.383 5.604 -12.448 1.00 12.22 H new ATOM 0 HA ASN A 40 -11.671 5.189 -14.780 1.00 44.21 H new ATOM 0 HB2 ASN A 40 -14.023 6.103 -14.881 1.00 63.10 H new ATOM 0 HB3 ASN A 40 -13.485 7.496 -13.962 1.00 63.10 H new ATOM 0 HD21 ASN A 40 -13.021 9.101 -17.068 1.00 71.21 H new ATOM 0 HD22 ASN A 40 -13.953 8.995 -15.571 1.00 71.21 H new ATOM 619 N TRP A 41 -10.909 7.103 -12.294 1.00 15.55 N ATOM 620 CA TRP A 41 -9.905 7.991 -11.720 1.00 24.44 C ATOM 621 C TRP A 41 -8.717 7.202 -11.195 1.00 30.31 C ATOM 622 O TRP A 41 -8.864 6.082 -10.703 1.00 34.33 O ATOM 623 CB TRP A 41 -10.527 8.836 -10.602 1.00 73.21 C ATOM 624 CG TRP A 41 -9.561 9.742 -9.897 1.00 34.31 C ATOM 625 CD1 TRP A 41 -9.142 10.974 -10.310 1.00 70.24 C ATOM 626 CD2 TRP A 41 -8.899 9.487 -8.651 1.00 34.54 C ATOM 627 NE1 TRP A 41 -8.264 11.502 -9.397 1.00 71.43 N ATOM 628 CE2 TRP A 41 -8.094 10.608 -8.372 1.00 22.01 C ATOM 629 CE3 TRP A 41 -8.905 8.420 -7.747 1.00 34.51 C ATOM 630 CZ2 TRP A 41 -7.308 10.691 -7.227 1.00 45.30 C ATOM 631 CZ3 TRP A 41 -8.124 8.504 -6.609 1.00 54.35 C ATOM 632 CH2 TRP A 41 -7.334 9.634 -6.359 1.00 73.43 C ATOM 0 H TRP A 41 -11.595 6.756 -11.623 1.00 15.55 H new ATOM 0 HA TRP A 41 -9.545 8.656 -12.505 1.00 24.44 H new ATOM 0 HB2 TRP A 41 -11.330 9.440 -11.024 1.00 73.21 H new ATOM 0 HB3 TRP A 41 -10.981 8.169 -9.869 1.00 73.21 H new ATOM 0 HD1 TRP A 41 -9.455 11.461 -11.221 1.00 70.24 H new ATOM 0 HE1 TRP A 41 -7.811 12.413 -9.469 1.00 71.43 H new ATOM 0 HE3 TRP A 41 -9.510 7.545 -7.935 1.00 34.51 H new ATOM 0 HZ2 TRP A 41 -6.698 11.560 -7.030 1.00 45.30 H new ATOM 0 HZ3 TRP A 41 -8.123 7.687 -5.903 1.00 54.35 H new ATOM 0 HH2 TRP A 41 -6.733 9.671 -5.462 1.00 73.43 H new ATOM 643 N ASP A 42 -7.547 7.807 -11.291 1.00 44.32 N ATOM 644 CA ASP A 42 -6.317 7.186 -10.821 1.00 53.24 C ATOM 645 C ASP A 42 -5.327 8.247 -10.368 1.00 63.15 C ATOM 646 O ASP A 42 -5.430 9.412 -10.754 1.00 43.42 O ATOM 647 CB ASP A 42 -5.661 6.335 -11.912 1.00 61.12 C ATOM 648 CG ASP A 42 -5.006 7.175 -12.996 1.00 42.14 C ATOM 649 OD1 ASP A 42 -3.811 7.514 -12.856 1.00 51.33 O ATOM 650 OD2 ASP A 42 -5.682 7.499 -13.994 1.00 52.31 O ATOM 0 H ASP A 42 -7.420 8.736 -11.693 1.00 44.32 H new ATOM 0 HA ASP A 42 -6.583 6.540 -9.984 1.00 53.24 H new ATOM 0 HB2 ASP A 42 -4.912 5.685 -11.459 1.00 61.12 H new ATOM 0 HB3 ASP A 42 -6.413 5.688 -12.364 1.00 61.12 H new ATOM 655 N LYS A 43 -4.381 7.833 -9.544 1.00 2.11 N ATOM 656 CA LYS A 43 -3.284 8.689 -9.121 1.00 22.21 C ATOM 657 C LYS A 43 -2.159 7.866 -8.515 1.00 13.33 C ATOM 658 O LYS A 43 -2.396 6.986 -7.686 1.00 21.01 O ATOM 659 CB LYS A 43 -3.753 9.731 -8.104 1.00 11.32 C ATOM 660 CG LYS A 43 -3.775 11.148 -8.657 1.00 31.45 C ATOM 661 CD LYS A 43 -4.072 12.181 -7.580 1.00 12.30 C ATOM 662 CE LYS A 43 -4.119 13.585 -8.164 1.00 15.23 C ATOM 663 NZ LYS A 43 -2.853 13.941 -8.858 1.00 12.05 N ATOM 0 H LYS A 43 -4.351 6.893 -9.148 1.00 2.11 H new ATOM 0 HA LYS A 43 -2.916 9.204 -10.008 1.00 22.21 H new ATOM 0 HB2 LYS A 43 -4.753 9.468 -7.760 1.00 11.32 H new ATOM 0 HB3 LYS A 43 -3.098 9.699 -7.233 1.00 11.32 H new ATOM 0 HG2 LYS A 43 -2.812 11.372 -9.117 1.00 31.45 H new ATOM 0 HG3 LYS A 43 -4.527 11.218 -9.442 1.00 31.45 H new ATOM 0 HD2 LYS A 43 -5.025 11.950 -7.104 1.00 12.30 H new ATOM 0 HD3 LYS A 43 -3.308 12.132 -6.804 1.00 12.30 H new ATOM 0 HE2 LYS A 43 -4.950 13.659 -8.865 1.00 15.23 H new ATOM 0 HE3 LYS A 43 -4.310 14.303 -7.367 1.00 15.23 H new ATOM 0 HZ1 LYS A 43 -2.821 14.968 -9.017 1.00 12.05 H new ATOM 0 HZ2 LYS A 43 -2.043 13.656 -8.271 1.00 12.05 H new ATOM 0 HZ3 LYS A 43 -2.808 13.448 -9.773 1.00 12.05 H new ATOM 677 N LEU A 44 -0.936 8.151 -8.927 1.00 24.15 N ATOM 678 CA LEU A 44 0.227 7.490 -8.364 1.00 62.35 C ATOM 679 C LEU A 44 0.969 8.454 -7.450 1.00 42.55 C ATOM 680 O LEU A 44 1.654 9.368 -7.916 1.00 71.24 O ATOM 681 CB LEU A 44 1.159 6.993 -9.472 1.00 64.34 C ATOM 682 CG LEU A 44 2.378 6.212 -8.984 1.00 45.11 C ATOM 683 CD1 LEU A 44 1.950 4.914 -8.318 1.00 35.34 C ATOM 684 CD2 LEU A 44 3.334 5.934 -10.135 1.00 12.44 C ATOM 0 H LEU A 44 -0.723 8.837 -9.651 1.00 24.15 H new ATOM 0 HA LEU A 44 -0.106 6.627 -7.787 1.00 62.35 H new ATOM 0 HB2 LEU A 44 0.588 6.360 -10.151 1.00 64.34 H new ATOM 0 HB3 LEU A 44 1.503 7.851 -10.050 1.00 64.34 H new ATOM 0 HG LEU A 44 2.900 6.820 -8.246 1.00 45.11 H new ATOM 0 HD11 LEU A 44 2.832 4.372 -7.977 1.00 35.34 H new ATOM 0 HD12 LEU A 44 1.309 5.137 -7.465 1.00 35.34 H new ATOM 0 HD13 LEU A 44 1.402 4.301 -9.034 1.00 35.34 H new ATOM 0 HD21 LEU A 44 4.195 5.377 -9.766 1.00 12.44 H new ATOM 0 HD22 LEU A 44 2.823 5.348 -10.899 1.00 12.44 H new ATOM 0 HD23 LEU A 44 3.669 6.878 -10.565 1.00 12.44 H new ATOM 696 N VAL A 45 0.817 8.264 -6.152 1.00 23.00 N ATOM 697 CA VAL A 45 1.416 9.164 -5.186 1.00 24.33 C ATOM 698 C VAL A 45 2.495 8.446 -4.390 1.00 33.41 C ATOM 699 O VAL A 45 2.227 7.462 -3.700 1.00 13.05 O ATOM 700 CB VAL A 45 0.367 9.758 -4.220 1.00 62.43 C ATOM 701 CG1 VAL A 45 1.003 10.810 -3.325 1.00 54.21 C ATOM 702 CG2 VAL A 45 -0.807 10.347 -4.992 1.00 24.14 C ATOM 0 H VAL A 45 0.285 7.496 -5.744 1.00 23.00 H new ATOM 0 HA VAL A 45 1.861 9.987 -5.746 1.00 24.33 H new ATOM 0 HB VAL A 45 -0.012 8.953 -3.590 1.00 62.43 H new ATOM 0 HG11 VAL A 45 0.250 11.218 -2.651 1.00 54.21 H new ATOM 0 HG12 VAL A 45 1.804 10.356 -2.742 1.00 54.21 H new ATOM 0 HG13 VAL A 45 1.412 11.612 -3.940 1.00 54.21 H new ATOM 0 HG21 VAL A 45 -1.533 10.759 -4.291 1.00 24.14 H new ATOM 0 HG22 VAL A 45 -0.449 11.138 -5.651 1.00 24.14 H new ATOM 0 HG23 VAL A 45 -1.280 9.566 -5.587 1.00 24.14 H new ATOM 712 N THR A 46 3.718 8.929 -4.511 1.00 2.34 N ATOM 713 CA THR A 46 4.838 8.336 -3.812 1.00 2.43 C ATOM 714 C THR A 46 4.910 8.858 -2.379 1.00 14.11 C ATOM 715 O THR A 46 4.859 10.066 -2.137 1.00 64.14 O ATOM 716 CB THR A 46 6.160 8.647 -4.530 1.00 52.45 C ATOM 717 OG1 THR A 46 5.980 8.540 -5.951 1.00 52.41 O ATOM 718 CG2 THR A 46 7.261 7.698 -4.089 1.00 43.01 C ATOM 0 H THR A 46 3.959 9.734 -5.090 1.00 2.34 H new ATOM 0 HA THR A 46 4.687 7.257 -3.799 1.00 2.43 H new ATOM 0 HB THR A 46 6.454 9.664 -4.269 1.00 52.45 H new ATOM 0 HG1 THR A 46 6.826 8.741 -6.404 1.00 52.41 H new ATOM 0 HG21 THR A 46 8.184 7.943 -4.614 1.00 43.01 H new ATOM 0 HG22 THR A 46 7.418 7.796 -3.015 1.00 43.01 H new ATOM 0 HG23 THR A 46 6.972 6.673 -4.321 1.00 43.01 H new ATOM 726 N PHE A 47 5.026 7.939 -1.444 1.00 55.40 N ATOM 727 CA PHE A 47 5.154 8.275 -0.034 1.00 33.11 C ATOM 728 C PHE A 47 6.428 7.661 0.507 1.00 1.32 C ATOM 729 O PHE A 47 7.146 6.983 -0.223 1.00 42.30 O ATOM 730 CB PHE A 47 3.962 7.762 0.784 1.00 34.21 C ATOM 731 CG PHE A 47 2.659 8.442 0.484 1.00 22.30 C ATOM 732 CD1 PHE A 47 2.369 9.681 1.032 1.00 2.41 C ATOM 733 CD2 PHE A 47 1.717 7.837 -0.330 1.00 44.24 C ATOM 734 CE1 PHE A 47 1.165 10.305 0.771 1.00 21.54 C ATOM 735 CE2 PHE A 47 0.512 8.456 -0.596 1.00 52.44 C ATOM 736 CZ PHE A 47 0.235 9.691 -0.044 1.00 44.13 C ATOM 0 H PHE A 47 5.035 6.937 -1.635 1.00 55.40 H new ATOM 0 HA PHE A 47 5.180 9.361 0.054 1.00 33.11 H new ATOM 0 HB2 PHE A 47 3.848 6.693 0.605 1.00 34.21 H new ATOM 0 HB3 PHE A 47 4.186 7.885 1.844 1.00 34.21 H new ATOM 0 HD1 PHE A 47 3.093 10.165 1.671 1.00 2.41 H new ATOM 0 HD2 PHE A 47 1.927 6.870 -0.762 1.00 44.24 H new ATOM 0 HE1 PHE A 47 0.951 11.271 1.204 1.00 21.54 H new ATOM 0 HE2 PHE A 47 -0.213 7.975 -1.235 1.00 52.44 H new ATOM 0 HZ PHE A 47 -0.708 10.176 -0.250 1.00 44.13 H new ATOM 746 N ARG A 48 6.710 7.888 1.777 1.00 71.21 N ATOM 747 CA ARG A 48 7.893 7.317 2.394 1.00 41.23 C ATOM 748 C ARG A 48 7.543 6.032 3.135 1.00 41.13 C ATOM 749 O ARG A 48 6.380 5.778 3.452 1.00 23.43 O ATOM 750 CB ARG A 48 8.535 8.333 3.336 1.00 3.41 C ATOM 751 CG ARG A 48 8.994 9.590 2.617 1.00 13.35 C ATOM 752 CD ARG A 48 9.273 10.725 3.584 1.00 41.31 C ATOM 753 NE ARG A 48 10.313 10.396 4.552 1.00 32.10 N ATOM 754 CZ ARG A 48 10.309 10.825 5.810 1.00 51.12 C ATOM 755 NH1 ARG A 48 9.323 11.598 6.254 1.00 34.32 N ATOM 756 NH2 ARG A 48 11.293 10.493 6.630 1.00 72.54 N ATOM 0 H ARG A 48 6.139 8.461 2.399 1.00 71.21 H new ATOM 0 HA ARG A 48 8.612 7.069 1.613 1.00 41.23 H new ATOM 0 HB2 ARG A 48 7.820 8.604 4.113 1.00 3.41 H new ATOM 0 HB3 ARG A 48 9.388 7.872 3.834 1.00 3.41 H new ATOM 0 HG2 ARG A 48 9.895 9.372 2.044 1.00 13.35 H new ATOM 0 HG3 ARG A 48 8.230 9.900 1.904 1.00 13.35 H new ATOM 0 HD2 ARG A 48 9.572 11.610 3.023 1.00 41.31 H new ATOM 0 HD3 ARG A 48 8.355 10.979 4.115 1.00 41.31 H new ATOM 0 HE ARG A 48 11.086 9.804 4.247 1.00 32.10 H new ATOM 0 HH11 ARG A 48 8.563 11.865 5.628 1.00 34.32 H new ATOM 0 HH12 ARG A 48 9.326 11.924 7.221 1.00 34.32 H new ATOM 0 HH21 ARG A 48 12.058 9.906 6.297 1.00 72.54 H new ATOM 0 HH22 ARG A 48 11.287 10.824 7.595 1.00 72.54 H new ATOM 770 N LEU A 49 8.559 5.242 3.433 1.00 43.54 N ATOM 771 CA LEU A 49 8.370 3.918 4.015 1.00 5.50 C ATOM 772 C LEU A 49 8.023 4.032 5.488 1.00 55.24 C ATOM 773 O LEU A 49 7.418 3.132 6.068 1.00 14.23 O ATOM 774 CB LEU A 49 9.631 3.066 3.842 1.00 41.32 C ATOM 775 CG LEU A 49 10.034 2.782 2.392 1.00 44.32 C ATOM 776 CD1 LEU A 49 11.310 1.956 2.348 1.00 3.24 C ATOM 777 CD2 LEU A 49 8.913 2.066 1.652 1.00 42.41 C ATOM 0 H LEU A 49 9.535 5.495 3.281 1.00 43.54 H new ATOM 0 HA LEU A 49 7.546 3.432 3.493 1.00 5.50 H new ATOM 0 HB2 LEU A 49 10.460 3.568 4.341 1.00 41.32 H new ATOM 0 HB3 LEU A 49 9.480 2.115 4.353 1.00 41.32 H new ATOM 0 HG LEU A 49 10.219 3.735 1.895 1.00 44.32 H new ATOM 0 HD11 LEU A 49 11.583 1.763 1.311 1.00 3.24 H new ATOM 0 HD12 LEU A 49 12.115 2.503 2.839 1.00 3.24 H new ATOM 0 HD13 LEU A 49 11.148 1.009 2.863 1.00 3.24 H new ATOM 0 HD21 LEU A 49 9.220 1.874 0.624 1.00 42.41 H new ATOM 0 HD22 LEU A 49 8.695 1.120 2.148 1.00 42.41 H new ATOM 0 HD23 LEU A 49 8.020 2.690 1.653 1.00 42.41 H new ATOM 789 N SER A 50 8.399 5.150 6.087 1.00 41.25 N ATOM 790 CA SER A 50 8.087 5.404 7.478 1.00 60.54 C ATOM 791 C SER A 50 6.702 6.021 7.594 1.00 23.33 C ATOM 792 O SER A 50 6.163 6.174 8.689 1.00 70.15 O ATOM 793 CB SER A 50 9.147 6.321 8.092 1.00 51.15 C ATOM 794 OG SER A 50 9.437 7.411 7.233 1.00 2.00 O ATOM 0 H SER A 50 8.922 5.896 5.628 1.00 41.25 H new ATOM 0 HA SER A 50 8.090 4.462 8.026 1.00 60.54 H new ATOM 0 HB2 SER A 50 8.796 6.695 9.054 1.00 51.15 H new ATOM 0 HB3 SER A 50 10.057 5.753 8.284 1.00 51.15 H new ATOM 0 HG SER A 50 10.116 7.983 7.648 1.00 2.00 H new ATOM 800 N GLU A 51 6.122 6.367 6.449 1.00 44.52 N ATOM 801 CA GLU A 51 4.792 6.972 6.431 1.00 32.31 C ATOM 802 C GLU A 51 3.722 5.936 6.113 1.00 51.33 C ATOM 803 O GLU A 51 2.523 6.210 6.199 1.00 64.42 O ATOM 804 CB GLU A 51 4.737 8.103 5.409 1.00 14.12 C ATOM 805 CG GLU A 51 5.797 9.165 5.632 1.00 55.43 C ATOM 806 CD GLU A 51 5.717 10.283 4.618 1.00 64.25 C ATOM 807 OE1 GLU A 51 5.671 9.988 3.406 1.00 62.11 O ATOM 808 OE2 GLU A 51 5.727 11.461 5.032 1.00 31.12 O ATOM 0 H GLU A 51 6.546 6.241 5.530 1.00 44.52 H new ATOM 0 HA GLU A 51 4.595 7.376 7.424 1.00 32.31 H new ATOM 0 HB2 GLU A 51 4.855 7.686 4.409 1.00 14.12 H new ATOM 0 HB3 GLU A 51 3.752 8.569 5.446 1.00 14.12 H new ATOM 0 HG2 GLU A 51 5.687 9.579 6.634 1.00 55.43 H new ATOM 0 HG3 GLU A 51 6.784 8.705 5.584 1.00 55.43 H new ATOM 815 N LEU A 52 4.163 4.747 5.746 1.00 5.44 N ATOM 816 CA LEU A 52 3.261 3.680 5.370 1.00 71.14 C ATOM 817 C LEU A 52 3.514 2.447 6.220 1.00 64.05 C ATOM 818 O LEU A 52 4.632 2.229 6.693 1.00 35.22 O ATOM 819 CB LEU A 52 3.475 3.325 3.900 1.00 54.34 C ATOM 820 CG LEU A 52 3.291 4.474 2.909 1.00 40.11 C ATOM 821 CD1 LEU A 52 3.763 4.060 1.525 1.00 14.23 C ATOM 822 CD2 LEU A 52 1.838 4.921 2.865 1.00 52.00 C ATOM 0 H LEU A 52 5.151 4.497 5.701 1.00 5.44 H new ATOM 0 HA LEU A 52 2.237 4.018 5.527 1.00 71.14 H new ATOM 0 HB2 LEU A 52 4.483 2.927 3.784 1.00 54.34 H new ATOM 0 HB3 LEU A 52 2.784 2.525 3.634 1.00 54.34 H new ATOM 0 HG LEU A 52 3.896 5.316 3.245 1.00 40.11 H new ATOM 0 HD11 LEU A 52 3.625 4.889 0.831 1.00 14.23 H new ATOM 0 HD12 LEU A 52 4.819 3.792 1.566 1.00 14.23 H new ATOM 0 HD13 LEU A 52 3.184 3.202 1.185 1.00 14.23 H new ATOM 0 HD21 LEU A 52 1.731 5.740 2.153 1.00 52.00 H new ATOM 0 HD22 LEU A 52 1.210 4.086 2.555 1.00 52.00 H new ATOM 0 HD23 LEU A 52 1.531 5.258 3.855 1.00 52.00 H new ATOM 834 N GLU A 53 2.481 1.649 6.421 1.00 70.51 N ATOM 835 CA GLU A 53 2.650 0.344 7.032 1.00 65.45 C ATOM 836 C GLU A 53 2.322 -0.733 6.010 1.00 33.14 C ATOM 837 O GLU A 53 1.475 -0.530 5.132 1.00 74.12 O ATOM 838 CB GLU A 53 1.772 0.180 8.276 1.00 74.44 C ATOM 839 CG GLU A 53 0.284 0.184 7.989 1.00 35.04 C ATOM 840 CD GLU A 53 -0.527 -0.229 9.195 1.00 52.41 C ATOM 841 OE1 GLU A 53 -0.706 -1.448 9.404 1.00 11.23 O ATOM 842 OE2 GLU A 53 -0.976 0.660 9.946 1.00 52.01 O ATOM 0 H GLU A 53 1.520 1.881 6.171 1.00 70.51 H new ATOM 0 HA GLU A 53 3.687 0.248 7.354 1.00 65.45 H new ATOM 0 HB2 GLU A 53 2.033 -0.755 8.771 1.00 74.44 H new ATOM 0 HB3 GLU A 53 1.998 0.985 8.976 1.00 74.44 H new ATOM 0 HG2 GLU A 53 -0.021 1.181 7.671 1.00 35.04 H new ATOM 0 HG3 GLU A 53 0.073 -0.493 7.161 1.00 35.04 H new ATOM 849 N ALA A 54 2.995 -1.864 6.115 1.00 52.13 N ATOM 850 CA ALA A 54 2.806 -2.942 5.164 1.00 60.01 C ATOM 851 C ALA A 54 1.693 -3.873 5.613 1.00 61.21 C ATOM 852 O ALA A 54 1.694 -4.368 6.746 1.00 12.45 O ATOM 853 CB ALA A 54 4.101 -3.716 4.962 1.00 31.52 C ATOM 0 H ALA A 54 3.676 -2.059 6.849 1.00 52.13 H new ATOM 0 HA ALA A 54 2.517 -2.502 4.210 1.00 60.01 H new ATOM 0 HB1 ALA A 54 3.936 -4.520 4.245 1.00 31.52 H new ATOM 0 HB2 ALA A 54 4.871 -3.044 4.583 1.00 31.52 H new ATOM 0 HB3 ALA A 54 4.424 -4.139 5.913 1.00 31.52 H new ATOM 859 N VAL A 55 0.741 -4.095 4.724 1.00 5.00 N ATOM 860 CA VAL A 55 -0.341 -5.035 4.967 1.00 71.53 C ATOM 861 C VAL A 55 -0.011 -6.335 4.235 1.00 42.22 C ATOM 862 O VAL A 55 1.078 -6.452 3.672 1.00 12.20 O ATOM 863 CB VAL A 55 -1.702 -4.464 4.483 1.00 63.13 C ATOM 864 CG1 VAL A 55 -2.878 -5.202 5.115 1.00 15.42 C ATOM 865 CG2 VAL A 55 -1.794 -2.973 4.777 1.00 21.12 C ATOM 0 H VAL A 55 0.695 -3.631 3.817 1.00 5.00 H new ATOM 0 HA VAL A 55 -0.435 -5.218 6.037 1.00 71.53 H new ATOM 0 HB VAL A 55 -1.755 -4.614 3.405 1.00 63.13 H new ATOM 0 HG11 VAL A 55 -3.813 -4.775 4.753 1.00 15.42 H new ATOM 0 HG12 VAL A 55 -2.833 -6.257 4.845 1.00 15.42 H new ATOM 0 HG13 VAL A 55 -2.830 -5.102 6.199 1.00 15.42 H new ATOM 0 HG21 VAL A 55 -2.755 -2.592 4.430 1.00 21.12 H new ATOM 0 HG22 VAL A 55 -1.704 -2.808 5.851 1.00 21.12 H new ATOM 0 HG23 VAL A 55 -0.989 -2.450 4.261 1.00 21.12 H new ATOM 875 N LYS A 56 -0.935 -7.294 4.253 1.00 24.21 N ATOM 876 CA LYS A 56 -0.756 -8.583 3.586 1.00 63.32 C ATOM 877 C LYS A 56 0.293 -9.428 4.311 1.00 43.35 C ATOM 878 O LYS A 56 1.488 -9.124 4.289 1.00 24.42 O ATOM 879 CB LYS A 56 -0.383 -8.369 2.115 1.00 23.31 C ATOM 880 CG LYS A 56 -0.276 -9.641 1.288 1.00 62.33 C ATOM 881 CD LYS A 56 -0.057 -9.313 -0.182 1.00 23.43 C ATOM 882 CE LYS A 56 -0.113 -10.553 -1.059 1.00 44.32 C ATOM 883 NZ LYS A 56 -0.024 -10.207 -2.504 1.00 74.14 N ATOM 0 H LYS A 56 -1.831 -7.199 4.731 1.00 24.21 H new ATOM 0 HA LYS A 56 -1.698 -9.130 3.621 1.00 63.32 H new ATOM 0 HB2 LYS A 56 -1.128 -7.718 1.658 1.00 23.31 H new ATOM 0 HB3 LYS A 56 0.571 -7.843 2.070 1.00 23.31 H new ATOM 0 HG2 LYS A 56 0.549 -10.251 1.656 1.00 62.33 H new ATOM 0 HG3 LYS A 56 -1.185 -10.232 1.402 1.00 62.33 H new ATOM 0 HD2 LYS A 56 -0.815 -8.602 -0.511 1.00 23.43 H new ATOM 0 HD3 LYS A 56 0.911 -8.826 -0.304 1.00 23.43 H new ATOM 0 HE2 LYS A 56 0.704 -11.224 -0.794 1.00 44.32 H new ATOM 0 HE3 LYS A 56 -1.042 -11.091 -0.870 1.00 44.32 H new ATOM 0 HZ1 LYS A 56 -0.065 -11.077 -3.072 1.00 74.14 H new ATOM 0 HZ2 LYS A 56 -0.818 -9.587 -2.762 1.00 74.14 H new ATOM 0 HZ3 LYS A 56 0.874 -9.715 -2.689 1.00 74.14 H new ATOM 897 N PRO A 57 -0.153 -10.498 4.981 1.00 63.22 N ATOM 898 CA PRO A 57 0.722 -11.351 5.788 1.00 15.14 C ATOM 899 C PRO A 57 1.813 -12.026 4.966 1.00 0.33 C ATOM 900 O PRO A 57 1.586 -12.435 3.827 1.00 41.42 O ATOM 901 CB PRO A 57 -0.226 -12.401 6.376 1.00 24.45 C ATOM 902 CG PRO A 57 -1.423 -12.386 5.488 1.00 64.03 C ATOM 903 CD PRO A 57 -1.544 -10.976 4.987 1.00 34.44 C ATOM 0 HA PRO A 57 1.255 -10.770 6.541 1.00 15.14 H new ATOM 0 HB2 PRO A 57 0.239 -13.386 6.393 1.00 24.45 H new ATOM 0 HB3 PRO A 57 -0.495 -12.158 7.404 1.00 24.45 H new ATOM 0 HG2 PRO A 57 -1.305 -13.086 4.661 1.00 64.03 H new ATOM 0 HG3 PRO A 57 -2.318 -12.685 6.033 1.00 64.03 H new ATOM 0 HD2 PRO A 57 -1.986 -10.940 3.991 1.00 34.44 H new ATOM 0 HD3 PRO A 57 -2.175 -10.371 5.638 1.00 34.44 H new ATOM 911 N ILE A 58 2.997 -12.136 5.556 1.00 33.41 N ATOM 912 CA ILE A 58 4.128 -12.788 4.908 1.00 13.42 C ATOM 913 C ILE A 58 3.888 -14.295 4.858 1.00 33.44 C ATOM 914 O ILE A 58 3.082 -14.827 5.627 1.00 71.14 O ATOM 915 CB ILE A 58 5.446 -12.502 5.668 1.00 71.52 C ATOM 916 CG1 ILE A 58 5.498 -11.035 6.113 1.00 31.02 C ATOM 917 CG2 ILE A 58 6.655 -12.829 4.797 1.00 72.33 C ATOM 918 CD1 ILE A 58 6.724 -10.687 6.934 1.00 1.12 C ATOM 0 H ILE A 58 3.199 -11.779 6.490 1.00 33.41 H new ATOM 0 HA ILE A 58 4.220 -12.391 3.897 1.00 13.42 H new ATOM 0 HB ILE A 58 5.475 -13.140 6.551 1.00 71.52 H new ATOM 0 HG12 ILE A 58 5.470 -10.396 5.230 1.00 31.02 H new ATOM 0 HG13 ILE A 58 4.606 -10.810 6.697 1.00 31.02 H new ATOM 0 HG21 ILE A 58 7.570 -12.620 5.351 1.00 72.33 H new ATOM 0 HG22 ILE A 58 6.630 -13.883 4.521 1.00 72.33 H new ATOM 0 HG23 ILE A 58 6.630 -12.217 3.895 1.00 72.33 H new ATOM 0 HD11 ILE A 58 6.689 -9.633 7.211 1.00 1.12 H new ATOM 0 HD12 ILE A 58 6.744 -11.299 7.836 1.00 1.12 H new ATOM 0 HD13 ILE A 58 7.622 -10.878 6.346 1.00 1.12 H new ATOM 930 N LEU A 59 4.582 -14.976 3.962 1.00 41.15 N ATOM 931 CA LEU A 59 4.390 -16.405 3.781 1.00 44.33 C ATOM 932 C LEU A 59 5.252 -17.183 4.768 1.00 62.52 C ATOM 933 O LEU A 59 6.482 -17.151 4.699 1.00 22.31 O ATOM 934 CB LEU A 59 4.712 -16.811 2.330 1.00 44.23 C ATOM 935 CG LEU A 59 4.268 -18.223 1.899 1.00 14.20 C ATOM 936 CD1 LEU A 59 5.203 -19.298 2.443 1.00 60.24 C ATOM 937 CD2 LEU A 59 2.837 -18.492 2.341 1.00 5.55 C ATOM 0 H LEU A 59 5.284 -14.562 3.348 1.00 41.15 H new ATOM 0 HA LEU A 59 3.345 -16.646 3.976 1.00 44.33 H new ATOM 0 HB2 LEU A 59 4.246 -16.087 1.661 1.00 44.23 H new ATOM 0 HB3 LEU A 59 5.789 -16.732 2.184 1.00 44.23 H new ATOM 0 HG LEU A 59 4.314 -18.263 0.811 1.00 14.20 H new ATOM 0 HD11 LEU A 59 4.857 -20.279 2.118 1.00 60.24 H new ATOM 0 HD12 LEU A 59 6.212 -19.126 2.068 1.00 60.24 H new ATOM 0 HD13 LEU A 59 5.209 -19.258 3.532 1.00 60.24 H new ATOM 0 HD21 LEU A 59 2.542 -19.493 2.028 1.00 5.55 H new ATOM 0 HD22 LEU A 59 2.771 -18.417 3.426 1.00 5.55 H new ATOM 0 HD23 LEU A 59 2.172 -17.758 1.886 1.00 5.55 H new ATOM 949 N GLU A 60 4.588 -17.857 5.693 1.00 51.11 N ATOM 950 CA GLU A 60 5.243 -18.750 6.635 1.00 54.10 C ATOM 951 C GLU A 60 4.253 -19.842 7.026 1.00 62.33 C ATOM 952 O GLU A 60 3.177 -19.945 6.429 1.00 1.12 O ATOM 953 CB GLU A 60 5.718 -17.989 7.880 1.00 53.13 C ATOM 954 CG GLU A 60 7.168 -18.272 8.264 1.00 24.33 C ATOM 955 CD GLU A 60 7.456 -19.750 8.436 1.00 3.25 C ATOM 956 OE1 GLU A 60 7.026 -20.334 9.453 1.00 44.02 O ATOM 957 OE2 GLU A 60 8.099 -20.342 7.549 1.00 45.14 O ATOM 0 H GLU A 60 3.577 -17.800 5.812 1.00 51.11 H new ATOM 0 HA GLU A 60 6.124 -19.189 6.167 1.00 54.10 H new ATOM 0 HB2 GLU A 60 5.601 -16.919 7.706 1.00 53.13 H new ATOM 0 HB3 GLU A 60 5.073 -18.248 8.720 1.00 53.13 H new ATOM 0 HG2 GLU A 60 7.827 -17.866 7.497 1.00 24.33 H new ATOM 0 HG3 GLU A 60 7.401 -17.751 9.193 1.00 24.33 H new ATOM 964 N HIS A 61 4.603 -20.647 8.015 1.00 74.12 N ATOM 965 CA HIS A 61 3.732 -21.724 8.461 1.00 51.44 C ATOM 966 C HIS A 61 2.771 -21.195 9.513 1.00 21.14 C ATOM 967 O HIS A 61 1.585 -21.001 9.248 1.00 52.33 O ATOM 968 CB HIS A 61 4.555 -22.888 9.033 1.00 35.35 C ATOM 969 CG HIS A 61 5.570 -23.437 8.077 1.00 34.42 C ATOM 970 ND1 HIS A 61 6.855 -22.950 7.991 1.00 52.33 N ATOM 971 CD2 HIS A 61 5.485 -24.432 7.164 1.00 12.42 C ATOM 972 CE1 HIS A 61 7.515 -23.618 7.068 1.00 33.12 C ATOM 973 NE2 HIS A 61 6.709 -24.526 6.546 1.00 61.52 N ATOM 0 H HIS A 61 5.484 -20.576 8.525 1.00 74.12 H new ATOM 0 HA HIS A 61 3.166 -22.096 7.607 1.00 51.44 H new ATOM 0 HB2 HIS A 61 5.065 -22.551 9.936 1.00 35.35 H new ATOM 0 HB3 HIS A 61 3.878 -23.689 9.329 1.00 35.35 H new ATOM 0 HD2 HIS A 61 4.616 -25.040 6.959 1.00 12.42 H new ATOM 0 HE1 HIS A 61 8.544 -23.452 6.785 1.00 33.12 H new ATOM 0 HE2 HIS A 61 6.954 -25.186 5.808 1.00 61.52 H new ATOM 982 N HIS A 62 3.302 -20.944 10.699 1.00 12.02 N ATOM 983 CA HIS A 62 2.530 -20.390 11.802 1.00 44.25 C ATOM 984 C HIS A 62 3.449 -19.572 12.694 1.00 5.30 C ATOM 985 O HIS A 62 4.669 -19.647 12.558 1.00 13.33 O ATOM 986 CB HIS A 62 1.866 -21.498 12.631 1.00 41.11 C ATOM 987 CG HIS A 62 0.728 -22.181 11.943 1.00 62.34 C ATOM 988 ND1 HIS A 62 0.795 -23.478 11.484 1.00 44.01 N ATOM 989 CD2 HIS A 62 -0.514 -21.742 11.641 1.00 11.32 C ATOM 990 CE1 HIS A 62 -0.354 -23.801 10.923 1.00 4.04 C ATOM 991 NE2 HIS A 62 -1.169 -22.768 11.008 1.00 13.45 N ATOM 0 H HIS A 62 4.281 -21.118 10.925 1.00 12.02 H new ATOM 0 HA HIS A 62 1.744 -19.758 11.388 1.00 44.25 H new ATOM 0 HB2 HIS A 62 2.619 -22.243 12.890 1.00 41.11 H new ATOM 0 HB3 HIS A 62 1.506 -21.070 13.566 1.00 41.11 H new ATOM 0 HD2 HIS A 62 -0.917 -20.764 11.858 1.00 11.32 H new ATOM 0 HE1 HIS A 62 -0.588 -24.753 10.470 1.00 4.04 H new ATOM 0 HE2 HIS A 62 -2.128 -22.737 10.661 1.00 13.45 H new ATOM 1000 N HIS A 63 2.875 -18.804 13.604 1.00 44.31 N ATOM 1001 CA HIS A 63 3.673 -18.024 14.532 1.00 12.32 C ATOM 1002 C HIS A 63 3.669 -18.693 15.895 1.00 14.12 C ATOM 1003 O HIS A 63 2.770 -19.474 16.210 1.00 52.15 O ATOM 1004 CB HIS A 63 3.178 -16.572 14.633 1.00 3.43 C ATOM 1005 CG HIS A 63 1.755 -16.421 15.083 1.00 14.23 C ATOM 1006 ND1 HIS A 63 0.730 -16.098 14.223 1.00 13.11 N ATOM 1007 CD2 HIS A 63 1.195 -16.519 16.311 1.00 4.34 C ATOM 1008 CE1 HIS A 63 -0.397 -16.006 14.900 1.00 32.14 C ATOM 1009 NE2 HIS A 63 -0.145 -16.257 16.170 1.00 53.42 N ATOM 0 H HIS A 63 1.866 -18.704 13.719 1.00 44.31 H new ATOM 0 HA HIS A 63 4.694 -17.985 14.154 1.00 12.32 H new ATOM 0 HB2 HIS A 63 3.822 -16.031 15.326 1.00 3.43 H new ATOM 0 HB3 HIS A 63 3.288 -16.097 13.658 1.00 3.43 H new ATOM 0 HD2 HIS A 63 1.707 -16.759 17.231 1.00 4.34 H new ATOM 0 HE1 HIS A 63 -1.364 -15.765 14.485 1.00 32.14 H new ATOM 0 HE2 HIS A 63 -0.833 -16.257 16.923 1.00 53.42 H new ATOM 1018 N HIS A 64 4.672 -18.391 16.695 1.00 24.44 N ATOM 1019 CA HIS A 64 4.810 -19.007 18.004 1.00 71.33 C ATOM 1020 C HIS A 64 4.005 -18.236 19.040 1.00 13.33 C ATOM 1021 O HIS A 64 3.704 -17.056 18.849 1.00 2.31 O ATOM 1022 CB HIS A 64 6.283 -19.060 18.426 1.00 4.33 C ATOM 1023 CG HIS A 64 7.150 -19.888 17.519 1.00 24.31 C ATOM 1024 ND1 HIS A 64 8.485 -20.126 17.760 1.00 11.13 N ATOM 1025 CD2 HIS A 64 6.860 -20.535 16.363 1.00 41.11 C ATOM 1026 CE1 HIS A 64 8.975 -20.880 16.794 1.00 60.42 C ATOM 1027 NE2 HIS A 64 8.011 -21.143 15.934 1.00 45.12 N ATOM 0 H HIS A 64 5.406 -17.722 16.463 1.00 24.44 H new ATOM 0 HA HIS A 64 4.427 -20.026 17.941 1.00 71.33 H new ATOM 0 HB2 HIS A 64 6.677 -18.044 18.461 1.00 4.33 H new ATOM 0 HB3 HIS A 64 6.346 -19.461 19.438 1.00 4.33 H new ATOM 0 HD2 HIS A 64 5.899 -20.566 15.871 1.00 41.11 H new ATOM 0 HE1 HIS A 64 9.996 -21.224 16.720 1.00 60.42 H new ATOM 0 HE2 HIS A 64 8.106 -21.706 15.089 1.00 45.12 H new ATOM 1036 N HIS A 65 3.645 -18.910 20.125 1.00 21.23 N ATOM 1037 CA HIS A 65 2.943 -18.261 21.223 1.00 11.22 C ATOM 1038 C HIS A 65 3.849 -17.224 21.873 1.00 5.34 C ATOM 1039 O HIS A 65 5.074 -17.323 21.794 1.00 3.02 O ATOM 1040 CB HIS A 65 2.473 -19.286 22.269 1.00 51.44 C ATOM 1041 CG HIS A 65 3.582 -20.015 22.978 1.00 32.14 C ATOM 1042 ND1 HIS A 65 3.920 -21.321 22.698 1.00 25.22 N ATOM 1043 CD2 HIS A 65 4.422 -19.620 23.967 1.00 41.11 C ATOM 1044 CE1 HIS A 65 4.915 -21.697 23.478 1.00 55.11 C ATOM 1045 NE2 HIS A 65 5.239 -20.684 24.256 1.00 14.01 N ATOM 0 H HIS A 65 3.827 -19.903 20.267 1.00 21.23 H new ATOM 0 HA HIS A 65 2.059 -17.767 20.819 1.00 11.22 H new ATOM 0 HB2 HIS A 65 1.861 -18.773 23.011 1.00 51.44 H new ATOM 0 HB3 HIS A 65 1.831 -20.018 21.778 1.00 51.44 H new ATOM 0 HD2 HIS A 65 4.444 -18.649 24.439 1.00 41.11 H new ATOM 0 HE1 HIS A 65 5.384 -22.670 23.479 1.00 55.11 H new ATOM 0 HE2 HIS A 65 5.978 -20.690 24.959 1.00 14.01 H new ATOM 1054 N HIS A 66 3.249 -16.237 22.506 1.00 0.23 N ATOM 1055 CA HIS A 66 4.012 -15.180 23.147 1.00 74.42 C ATOM 1056 C HIS A 66 4.021 -15.394 24.649 1.00 31.31 C ATOM 1057 O HIS A 66 3.044 -14.987 25.312 1.00 37.46 O ATOM 1058 CB HIS A 66 3.431 -13.808 22.801 1.00 31.25 C ATOM 1059 CG HIS A 66 3.486 -13.499 21.338 1.00 54.30 C ATOM 1060 ND1 HIS A 66 2.494 -12.820 20.666 1.00 73.14 N ATOM 1061 CD2 HIS A 66 4.434 -13.784 20.418 1.00 54.32 C ATOM 1062 CE1 HIS A 66 2.831 -12.700 19.396 1.00 1.31 C ATOM 1063 NE2 HIS A 66 4.006 -13.279 19.220 1.00 61.10 N ATOM 1064 OXT HIS A 66 4.985 -15.991 25.158 1.00 37.46 O ATOM 0 H HIS A 66 2.237 -16.142 22.592 1.00 0.23 H new ATOM 0 HA HIS A 66 5.038 -15.212 22.779 1.00 74.42 H new ATOM 0 HB2 HIS A 66 2.395 -13.764 23.137 1.00 31.25 H new ATOM 0 HB3 HIS A 66 3.977 -13.040 23.349 1.00 31.25 H new ATOM 0 HD2 HIS A 66 5.359 -14.313 20.595 1.00 54.32 H new ATOM 0 HE1 HIS A 66 2.246 -12.212 18.631 1.00 1.31 H new ATOM 0 HE2 HIS A 66 4.511 -13.340 18.336 1.00 61.10 H new TER 1073 HIS A 66