USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 CYS SG : rot 180:sc= 0.81 USER MOD Set 1.2: A 70 SER OG : rot 107:sc= 0.698 USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 1.03 USER MOD Set 2.2: A 23 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0) 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 2 SER OG : rot 180:sc= 0.127 USER MOD Single : A 4 GLN : amide:sc= 0.64 K(o=0.64,f=-0.025) USER MOD Single : A 5 THR OG1 : rot 134:sc= 1.35 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0937 USER MOD Single : A 13 GLN : amide:sc= -0.907 K(o=-0.91,f=-0.14) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.359 X(o=0.36,f=-0.035) USER MOD Single : A 25 ASN : amide:sc= -2.46! K(o=-2.5!,f=-0.083) USER MOD Single : A 26 LYS NZ :NH3+ -109:sc= 1.18 (180deg=-0.418) USER MOD Single : A 27 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-3.4!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 69:sc= 0.675 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 46 GLN : amide:sc= -0.676 K(o=-0.68,f=-1.6!) USER MOD Single : A 47 THR OG1 : rot 88:sc= 1.24 USER MOD Single : A 48 GLN : amide:sc= -1.31! K(o=-1.3!,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.562 K(o=-0.56,f=-1.2) USER MOD Single : A 61 SER OG : rot 180:sc= -0.438 USER MOD Single : A 66 SER OG : rot 4:sc= 1.47 USER MOD Single : A 72 THR OG1 : rot -170:sc= 0.0125 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.092 -17.154 -4.913 1.00 0.00 N ATOM 2 CA MET A 1 3.377 -16.123 -3.907 1.00 0.00 C ATOM 3 C MET A 1 4.718 -15.450 -4.177 1.00 0.00 C ATOM 4 O MET A 1 5.762 -16.104 -4.212 1.00 0.00 O ATOM 5 CB MET A 1 3.348 -16.693 -2.480 1.00 0.00 C ATOM 6 CG MET A 1 2.222 -16.142 -1.620 1.00 0.00 C ATOM 7 SD MET A 1 0.616 -16.835 -2.061 1.00 0.00 S ATOM 8 CE MET A 1 0.044 -17.406 -0.463 1.00 0.00 C ATOM 0 H1 MET A 1 2.174 -17.596 -4.706 1.00 0.00 H new ATOM 0 H2 MET A 1 3.062 -16.719 -5.857 1.00 0.00 H new ATOM 0 H3 MET A 1 3.838 -17.878 -4.889 1.00 0.00 H new ATOM 0 HA MET A 1 2.588 -15.375 -3.985 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.253 -17.778 -2.534 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.300 -16.480 -1.995 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.431 -16.356 -0.572 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.187 -15.057 -1.723 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.941 -17.861 -0.570 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.743 -18.143 -0.068 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.019 -16.562 0.224 1.00 0.00 H new ATOM 18 N SER A 2 4.675 -14.143 -4.384 1.00 0.00 N ATOM 19 CA SER A 2 5.874 -13.358 -4.621 1.00 0.00 C ATOM 20 C SER A 2 6.785 -13.377 -3.394 1.00 0.00 C ATOM 21 O SER A 2 6.313 -13.309 -2.256 1.00 0.00 O ATOM 22 CB SER A 2 5.473 -11.926 -4.977 1.00 0.00 C ATOM 23 OG SER A 2 4.075 -11.844 -5.226 1.00 0.00 O ATOM 0 H SER A 2 3.812 -13.600 -4.392 1.00 0.00 H new ATOM 0 HA SER A 2 6.431 -13.792 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.743 -11.254 -4.162 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.024 -11.597 -5.858 1.00 0.00 H new ATOM 0 HG SER A 2 3.836 -10.920 -5.450 1.00 0.00 H new ATOM 29 N ALA A 3 8.085 -13.488 -3.632 1.00 0.00 N ATOM 30 CA ALA A 3 9.058 -13.548 -2.548 1.00 0.00 C ATOM 31 C ALA A 3 9.206 -12.190 -1.870 1.00 0.00 C ATOM 32 O ALA A 3 8.717 -11.986 -0.758 1.00 0.00 O ATOM 33 CB ALA A 3 10.404 -14.040 -3.069 1.00 0.00 C ATOM 0 H ALA A 3 8.491 -13.538 -4.566 1.00 0.00 H new ATOM 0 HA ALA A 3 8.695 -14.256 -1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.120 -14.079 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.287 -15.036 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.769 -13.357 -3.836 1.00 0.00 H new ATOM 39 N GLN A 4 9.872 -11.262 -2.540 1.00 0.00 N ATOM 40 CA GLN A 4 10.089 -9.932 -1.990 1.00 0.00 C ATOM 41 C GLN A 4 9.832 -8.870 -3.044 1.00 0.00 C ATOM 42 O GLN A 4 9.984 -9.119 -4.240 1.00 0.00 O ATOM 43 CB GLN A 4 11.520 -9.778 -1.473 1.00 0.00 C ATOM 44 CG GLN A 4 11.860 -10.683 -0.304 1.00 0.00 C ATOM 45 CD GLN A 4 13.331 -10.625 0.050 1.00 0.00 C ATOM 46 OE1 GLN A 4 14.191 -11.013 -0.742 1.00 0.00 O ATOM 47 NE2 GLN A 4 13.628 -10.138 1.240 1.00 0.00 N ATOM 0 H GLN A 4 10.272 -11.406 -3.467 1.00 0.00 H new ATOM 0 HA GLN A 4 9.392 -9.804 -1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.213 -9.982 -2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 4 11.676 -8.742 -1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 4 11.267 -10.393 0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.586 -11.709 -0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 4 12.883 -9.828 1.865 1.00 0.00 H new ATOM 0 HE22 GLN A 4 14.602 -10.072 1.535 1.00 0.00 H new ATOM 56 N THR A 5 9.436 -7.691 -2.594 1.00 0.00 N ATOM 57 CA THR A 5 9.254 -6.551 -3.469 1.00 0.00 C ATOM 58 C THR A 5 10.602 -6.058 -3.987 1.00 0.00 C ATOM 59 O THR A 5 11.449 -5.609 -3.211 1.00 0.00 O ATOM 60 CB THR A 5 8.546 -5.418 -2.709 1.00 0.00 C ATOM 61 OG1 THR A 5 8.158 -5.892 -1.409 1.00 0.00 O ATOM 62 CG2 THR A 5 7.317 -4.936 -3.464 1.00 0.00 C ATOM 0 H THR A 5 9.233 -7.500 -1.613 1.00 0.00 H new ATOM 0 HA THR A 5 8.641 -6.856 -4.317 1.00 0.00 H new ATOM 0 HB THR A 5 9.236 -4.580 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.398 -5.225 -0.732 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.836 -4.135 -2.903 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.615 -4.564 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.618 -5.763 -3.586 1.00 0.00 H new ATOM 70 N VAL A 6 10.806 -6.166 -5.293 1.00 0.00 N ATOM 71 CA VAL A 6 12.064 -5.762 -5.911 1.00 0.00 C ATOM 72 C VAL A 6 12.199 -4.242 -5.913 1.00 0.00 C ATOM 73 O VAL A 6 11.418 -3.546 -6.561 1.00 0.00 O ATOM 74 CB VAL A 6 12.180 -6.296 -7.358 1.00 0.00 C ATOM 75 CG1 VAL A 6 13.517 -5.914 -7.973 1.00 0.00 C ATOM 76 CG2 VAL A 6 11.995 -7.808 -7.388 1.00 0.00 C ATOM 0 H VAL A 6 10.114 -6.531 -5.948 1.00 0.00 H new ATOM 0 HA VAL A 6 12.871 -6.194 -5.319 1.00 0.00 H new ATOM 0 HB VAL A 6 11.389 -5.837 -7.951 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.573 -6.301 -8.990 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.612 -4.828 -7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.326 -6.338 -7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.080 -8.165 -8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.762 -8.281 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.010 -8.062 -6.996 1.00 0.00 H new ATOM 86 N SER A 7 13.191 -3.744 -5.171 1.00 0.00 N ATOM 87 CA SER A 7 13.430 -2.308 -5.043 1.00 0.00 C ATOM 88 C SER A 7 12.204 -1.616 -4.452 1.00 0.00 C ATOM 89 O SER A 7 11.607 -0.729 -5.066 1.00 0.00 O ATOM 90 CB SER A 7 13.812 -1.699 -6.394 1.00 0.00 C ATOM 91 OG SER A 7 14.605 -2.606 -7.141 1.00 0.00 O ATOM 0 H SER A 7 13.847 -4.322 -4.646 1.00 0.00 H new ATOM 0 HA SER A 7 14.267 -2.154 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.911 -1.448 -6.954 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.360 -0.770 -6.239 1.00 0.00 H new ATOM 0 HG SER A 7 14.840 -2.203 -8.003 1.00 0.00 H new ATOM 97 N GLY A 8 11.825 -2.057 -3.262 1.00 0.00 N ATOM 98 CA GLY A 8 10.683 -1.495 -2.580 1.00 0.00 C ATOM 99 C GLY A 8 10.688 -1.853 -1.110 1.00 0.00 C ATOM 100 O GLY A 8 11.708 -2.318 -0.596 1.00 0.00 O ATOM 0 H GLY A 8 12.297 -2.804 -2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.687 -0.411 -2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.765 -1.860 -3.042 1.00 0.00 H new ATOM 104 N PRO A 9 9.570 -1.653 -0.399 1.00 0.00 N ATOM 105 CA PRO A 9 9.471 -1.999 1.020 1.00 0.00 C ATOM 106 C PRO A 9 9.517 -3.507 1.241 1.00 0.00 C ATOM 107 O PRO A 9 8.789 -4.264 0.598 1.00 0.00 O ATOM 108 CB PRO A 9 8.116 -1.429 1.440 1.00 0.00 C ATOM 109 CG PRO A 9 7.326 -1.340 0.179 1.00 0.00 C ATOM 110 CD PRO A 9 8.317 -1.075 -0.920 1.00 0.00 C ATOM 0 HA PRO A 9 10.303 -1.598 1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.625 -2.075 2.168 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.227 -0.450 1.906 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.780 -2.265 -0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.587 -0.541 0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.015 -1.547 -1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.419 -0.008 -1.120 1.00 0.00 H new ATOM 118 N THR A 10 10.375 -3.934 2.153 1.00 0.00 N ATOM 119 CA THR A 10 10.596 -5.344 2.402 1.00 0.00 C ATOM 120 C THR A 10 9.566 -5.923 3.378 1.00 0.00 C ATOM 121 O THR A 10 8.688 -5.203 3.855 1.00 0.00 O ATOM 122 CB THR A 10 12.016 -5.552 2.940 1.00 0.00 C ATOM 123 OG1 THR A 10 12.517 -4.311 3.465 1.00 0.00 O ATOM 124 CG2 THR A 10 12.932 -6.032 1.831 1.00 0.00 C ATOM 0 H THR A 10 10.935 -3.314 2.738 1.00 0.00 H new ATOM 0 HA THR A 10 10.478 -5.876 1.458 1.00 0.00 H new ATOM 0 HB THR A 10 11.987 -6.303 3.729 1.00 0.00 H new ATOM 0 HG1 THR A 10 13.424 -4.445 3.811 1.00 0.00 H new ATOM 0 HG21 THR A 10 13.938 -6.176 2.226 1.00 0.00 H new ATOM 0 HG22 THR A 10 12.559 -6.976 1.435 1.00 0.00 H new ATOM 0 HG23 THR A 10 12.958 -5.289 1.034 1.00 0.00 H new ATOM 132 N GLU A 11 9.695 -7.218 3.678 1.00 0.00 N ATOM 133 CA GLU A 11 8.713 -7.952 4.488 1.00 0.00 C ATOM 134 C GLU A 11 8.430 -7.273 5.829 1.00 0.00 C ATOM 135 O GLU A 11 7.286 -7.233 6.281 1.00 0.00 O ATOM 136 CB GLU A 11 9.193 -9.383 4.740 1.00 0.00 C ATOM 137 CG GLU A 11 9.512 -10.159 3.474 1.00 0.00 C ATOM 138 CD GLU A 11 11.001 -10.247 3.215 1.00 0.00 C ATOM 139 OE1 GLU A 11 11.605 -9.213 2.861 1.00 0.00 O ATOM 140 OE2 GLU A 11 11.576 -11.344 3.374 1.00 0.00 O ATOM 0 H GLU A 11 10.481 -7.789 3.368 1.00 0.00 H new ATOM 0 HA GLU A 11 7.785 -7.962 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.083 -9.351 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.426 -9.919 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.099 -11.165 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.025 -9.680 2.624 1.00 0.00 H new ATOM 147 N ASP A 12 9.473 -6.752 6.465 1.00 0.00 N ATOM 148 CA ASP A 12 9.325 -6.084 7.759 1.00 0.00 C ATOM 149 C ASP A 12 8.400 -4.875 7.647 1.00 0.00 C ATOM 150 O ASP A 12 7.537 -4.658 8.499 1.00 0.00 O ATOM 151 CB ASP A 12 10.688 -5.648 8.299 1.00 0.00 C ATOM 152 CG ASP A 12 10.654 -5.347 9.786 1.00 0.00 C ATOM 153 OD1 ASP A 12 10.267 -6.243 10.570 1.00 0.00 O ATOM 154 OD2 ASP A 12 11.027 -4.224 10.184 1.00 0.00 O ATOM 0 H ASP A 12 10.429 -6.777 6.110 1.00 0.00 H new ATOM 0 HA ASP A 12 8.881 -6.797 8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.419 -6.433 8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.022 -4.762 7.760 1.00 0.00 H new ATOM 159 N GLN A 13 8.581 -4.100 6.585 1.00 0.00 N ATOM 160 CA GLN A 13 7.745 -2.933 6.339 1.00 0.00 C ATOM 161 C GLN A 13 6.360 -3.364 5.879 1.00 0.00 C ATOM 162 O GLN A 13 5.358 -2.739 6.224 1.00 0.00 O ATOM 163 CB GLN A 13 8.382 -2.019 5.293 1.00 0.00 C ATOM 164 CG GLN A 13 9.618 -1.289 5.791 1.00 0.00 C ATOM 165 CD GLN A 13 9.323 -0.325 6.927 1.00 0.00 C ATOM 166 OE1 GLN A 13 10.185 -0.051 7.761 1.00 0.00 O ATOM 167 NE2 GLN A 13 8.110 0.209 6.963 1.00 0.00 N ATOM 0 H GLN A 13 9.300 -4.259 5.880 1.00 0.00 H new ATOM 0 HA GLN A 13 7.653 -2.378 7.273 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.649 -2.613 4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.645 -1.286 4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.355 -2.020 6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.066 -0.740 4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.421 -0.042 6.254 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.866 0.871 7.700 1.00 0.00 H new ATOM 176 N VAL A 14 6.322 -4.439 5.101 1.00 0.00 N ATOM 177 CA VAL A 14 5.074 -4.991 4.587 1.00 0.00 C ATOM 178 C VAL A 14 4.143 -5.390 5.733 1.00 0.00 C ATOM 179 O VAL A 14 2.926 -5.289 5.617 1.00 0.00 O ATOM 180 CB VAL A 14 5.350 -6.209 3.666 1.00 0.00 C ATOM 181 CG1 VAL A 14 4.113 -7.080 3.490 1.00 0.00 C ATOM 182 CG2 VAL A 14 5.862 -5.743 2.312 1.00 0.00 C ATOM 0 H VAL A 14 7.154 -4.952 4.809 1.00 0.00 H new ATOM 0 HA VAL A 14 4.581 -4.218 3.998 1.00 0.00 H new ATOM 0 HB VAL A 14 6.115 -6.817 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.350 -7.921 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.790 -7.454 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.313 -6.490 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.051 -6.609 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.115 -5.104 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.787 -5.182 2.446 1.00 0.00 H new ATOM 192 N GLU A 15 4.726 -5.804 6.852 1.00 0.00 N ATOM 193 CA GLU A 15 3.944 -6.189 8.022 1.00 0.00 C ATOM 194 C GLU A 15 3.107 -5.015 8.524 1.00 0.00 C ATOM 195 O GLU A 15 1.927 -5.169 8.845 1.00 0.00 O ATOM 196 CB GLU A 15 4.862 -6.694 9.134 1.00 0.00 C ATOM 197 CG GLU A 15 4.829 -8.202 9.303 1.00 0.00 C ATOM 198 CD GLU A 15 3.467 -8.711 9.725 1.00 0.00 C ATOM 199 OE1 GLU A 15 3.158 -8.652 10.931 1.00 0.00 O ATOM 200 OE2 GLU A 15 2.698 -9.173 8.852 1.00 0.00 O ATOM 0 H GLU A 15 5.736 -5.882 6.974 1.00 0.00 H new ATOM 0 HA GLU A 15 3.269 -6.994 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.884 -6.382 8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.574 -6.224 10.074 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.115 -8.675 8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.569 -8.497 10.047 1.00 0.00 H new ATOM 207 N ILE A 16 3.723 -3.844 8.572 1.00 0.00 N ATOM 208 CA ILE A 16 3.032 -2.629 8.980 1.00 0.00 C ATOM 209 C ILE A 16 2.133 -2.136 7.847 1.00 0.00 C ATOM 210 O ILE A 16 1.000 -1.707 8.072 1.00 0.00 O ATOM 211 CB ILE A 16 4.050 -1.525 9.368 1.00 0.00 C ATOM 212 CG1 ILE A 16 4.698 -1.858 10.713 1.00 0.00 C ATOM 213 CG2 ILE A 16 3.395 -0.150 9.417 1.00 0.00 C ATOM 214 CD1 ILE A 16 6.080 -1.265 10.883 1.00 0.00 C ATOM 0 H ILE A 16 4.705 -3.708 8.332 1.00 0.00 H new ATOM 0 HA ILE A 16 2.419 -2.855 9.852 1.00 0.00 H new ATOM 0 HB ILE A 16 4.821 -1.493 8.598 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.055 -1.497 11.516 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.761 -2.941 10.818 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.139 0.598 9.692 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.983 0.092 8.437 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.594 -0.155 10.157 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.477 -1.542 11.859 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.738 -1.646 10.102 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.021 -0.179 10.810 1.00 0.00 H new ATOM 226 N LEU A 17 2.643 -2.243 6.628 1.00 0.00 N ATOM 227 CA LEU A 17 1.955 -1.752 5.442 1.00 0.00 C ATOM 228 C LEU A 17 0.646 -2.497 5.204 1.00 0.00 C ATOM 229 O LEU A 17 -0.401 -1.878 5.006 1.00 0.00 O ATOM 230 CB LEU A 17 2.865 -1.908 4.222 1.00 0.00 C ATOM 231 CG LEU A 17 3.341 -0.607 3.575 1.00 0.00 C ATOM 232 CD1 LEU A 17 3.450 0.503 4.599 1.00 0.00 C ATOM 233 CD2 LEU A 17 4.677 -0.817 2.886 1.00 0.00 C ATOM 0 H LEU A 17 3.547 -2.673 6.433 1.00 0.00 H new ATOM 0 HA LEU A 17 1.718 -0.700 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.741 -2.486 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.335 -2.493 3.470 1.00 0.00 H new ATOM 0 HG LEU A 17 2.602 -0.312 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.791 1.416 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.474 0.676 5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.164 0.217 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.002 0.118 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.417 -1.141 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.572 -1.580 2.114 1.00 0.00 H new ATOM 245 N GLU A 18 0.711 -3.824 5.230 1.00 0.00 N ATOM 246 CA GLU A 18 -0.462 -4.658 4.974 1.00 0.00 C ATOM 247 C GLU A 18 -1.554 -4.381 5.997 1.00 0.00 C ATOM 248 O GLU A 18 -2.738 -4.337 5.661 1.00 0.00 O ATOM 249 CB GLU A 18 -0.088 -6.143 5.001 1.00 0.00 C ATOM 250 CG GLU A 18 -1.200 -7.065 4.523 1.00 0.00 C ATOM 251 CD GLU A 18 -0.853 -7.774 3.230 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.482 -7.092 2.254 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.957 -9.023 3.184 1.00 0.00 O ATOM 0 H GLU A 18 1.564 -4.348 5.426 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.839 -4.409 3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.793 -6.298 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.189 -6.420 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.409 -7.806 5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.112 -6.485 4.382 1.00 0.00 H new ATOM 260 N TYR A 19 -1.147 -4.186 7.245 1.00 0.00 N ATOM 261 CA TYR A 19 -2.090 -3.867 8.305 1.00 0.00 C ATOM 262 C TYR A 19 -2.714 -2.503 8.052 1.00 0.00 C ATOM 263 O TYR A 19 -3.930 -2.335 8.152 1.00 0.00 O ATOM 264 CB TYR A 19 -1.393 -3.883 9.670 1.00 0.00 C ATOM 265 CG TYR A 19 -2.323 -3.581 10.825 1.00 0.00 C ATOM 266 CD1 TYR A 19 -3.081 -4.585 11.410 1.00 0.00 C ATOM 267 CD2 TYR A 19 -2.448 -2.289 11.322 1.00 0.00 C ATOM 268 CE1 TYR A 19 -3.936 -4.313 12.459 1.00 0.00 C ATOM 269 CE2 TYR A 19 -3.302 -2.008 12.371 1.00 0.00 C ATOM 270 CZ TYR A 19 -4.045 -3.024 12.935 1.00 0.00 C ATOM 271 OH TYR A 19 -4.897 -2.749 13.978 1.00 0.00 O ATOM 0 H TYR A 19 -0.174 -4.243 7.545 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.875 -4.623 8.310 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.939 -4.861 9.826 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.584 -3.153 9.665 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.001 -5.596 11.039 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.868 -1.492 10.881 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.517 -5.107 12.905 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.387 -0.999 12.747 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.854 -1.794 14.192 1.00 0.00 H new ATOM 281 N ASN A 20 -1.871 -1.538 7.703 1.00 0.00 N ATOM 282 CA ASN A 20 -2.321 -0.175 7.458 1.00 0.00 C ATOM 283 C ASN A 20 -3.306 -0.117 6.297 1.00 0.00 C ATOM 284 O ASN A 20 -4.394 0.433 6.443 1.00 0.00 O ATOM 285 CB ASN A 20 -1.132 0.750 7.184 1.00 0.00 C ATOM 286 CG ASN A 20 -1.119 1.955 8.105 1.00 0.00 C ATOM 287 OD1 ASN A 20 -1.859 2.916 7.904 1.00 0.00 O ATOM 288 ND2 ASN A 20 -0.279 1.909 9.130 1.00 0.00 N ATOM 0 H ASN A 20 -0.868 -1.677 7.583 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.832 0.167 8.358 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.204 0.192 7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.167 1.087 6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.231 2.689 9.785 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.319 1.094 9.263 1.00 0.00 H new ATOM 295 N PHE A 21 -2.940 -0.709 5.158 1.00 0.00 N ATOM 296 CA PHE A 21 -3.803 -0.686 3.972 1.00 0.00 C ATOM 297 C PHE A 21 -5.146 -1.350 4.257 1.00 0.00 C ATOM 298 O PHE A 21 -6.182 -0.892 3.787 1.00 0.00 O ATOM 299 CB PHE A 21 -3.111 -1.370 2.783 1.00 0.00 C ATOM 300 CG PHE A 21 -3.903 -1.337 1.497 1.00 0.00 C ATOM 301 CD1 PHE A 21 -3.784 -0.268 0.620 1.00 0.00 C ATOM 302 CD2 PHE A 21 -4.766 -2.373 1.163 1.00 0.00 C ATOM 303 CE1 PHE A 21 -4.498 -0.238 -0.565 1.00 0.00 C ATOM 304 CE2 PHE A 21 -5.483 -2.345 -0.020 1.00 0.00 C ATOM 305 CZ PHE A 21 -5.353 -1.273 -0.882 1.00 0.00 C ATOM 0 H PHE A 21 -2.059 -1.207 5.031 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.987 0.357 3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.147 -0.890 2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.909 -2.409 3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.125 0.552 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.879 -3.211 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.386 0.596 -1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.145 -3.161 -0.270 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.919 -1.246 -1.801 1.00 0.00 H new ATOM 315 N ASN A 22 -5.129 -2.416 5.042 1.00 0.00 N ATOM 316 CA ASN A 22 -6.356 -3.131 5.378 1.00 0.00 C ATOM 317 C ASN A 22 -7.226 -2.306 6.323 1.00 0.00 C ATOM 318 O ASN A 22 -8.446 -2.439 6.331 1.00 0.00 O ATOM 319 CB ASN A 22 -6.031 -4.488 6.008 1.00 0.00 C ATOM 320 CG ASN A 22 -6.006 -5.613 4.988 1.00 0.00 C ATOM 321 OD1 ASN A 22 -7.020 -5.929 4.368 1.00 0.00 O ATOM 322 ND2 ASN A 22 -4.843 -6.221 4.807 1.00 0.00 N ATOM 0 H ASN A 22 -4.284 -2.806 5.458 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.913 -3.297 4.456 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.063 -4.431 6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.771 -4.715 6.776 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.765 -6.982 4.133 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.026 -5.928 5.342 1.00 0.00 H new ATOM 329 N LYS A 23 -6.591 -1.444 7.106 1.00 0.00 N ATOM 330 CA LYS A 23 -7.306 -0.612 8.066 1.00 0.00 C ATOM 331 C LYS A 23 -7.816 0.669 7.408 1.00 0.00 C ATOM 332 O LYS A 23 -8.942 1.095 7.656 1.00 0.00 O ATOM 333 CB LYS A 23 -6.403 -0.278 9.255 1.00 0.00 C ATOM 334 CG LYS A 23 -6.506 -1.279 10.394 1.00 0.00 C ATOM 335 CD LYS A 23 -7.335 -0.733 11.547 1.00 0.00 C ATOM 336 CE LYS A 23 -8.068 -1.842 12.285 1.00 0.00 C ATOM 337 NZ LYS A 23 -7.580 -1.994 13.682 1.00 0.00 N ATOM 0 H LYS A 23 -5.581 -1.302 7.095 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.168 -1.173 8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.369 -0.233 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.659 0.713 9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.955 -2.202 10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.507 -1.530 10.750 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.686 -0.200 12.242 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.056 -0.010 11.166 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.137 -1.627 12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.937 -2.783 11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.221 -2.623 14.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.624 -2.403 13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.554 -1.063 14.144 1.00 0.00 H new ATOM 351 N VAL A 24 -6.985 1.274 6.566 1.00 0.00 N ATOM 352 CA VAL A 24 -7.362 2.493 5.843 1.00 0.00 C ATOM 353 C VAL A 24 -8.325 2.169 4.710 1.00 0.00 C ATOM 354 O VAL A 24 -9.095 3.025 4.263 1.00 0.00 O ATOM 355 CB VAL A 24 -6.131 3.194 5.236 1.00 0.00 C ATOM 356 CG1 VAL A 24 -5.147 3.602 6.317 1.00 0.00 C ATOM 357 CG2 VAL A 24 -5.465 2.287 4.220 1.00 0.00 C ATOM 0 H VAL A 24 -6.042 0.942 6.364 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.837 3.155 6.568 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.465 4.101 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.288 4.094 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.632 4.289 7.011 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.813 2.717 6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.596 2.791 3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.148 1.365 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.172 2.052 3.424 1.00 0.00 H new ATOM 367 N ASN A 25 -8.228 0.923 4.247 1.00 0.00 N ATOM 368 CA ASN A 25 -9.041 0.376 3.157 1.00 0.00 C ATOM 369 C ASN A 25 -8.435 0.761 1.815 1.00 0.00 C ATOM 370 O ASN A 25 -7.849 -0.076 1.128 1.00 0.00 O ATOM 371 CB ASN A 25 -10.510 0.814 3.253 1.00 0.00 C ATOM 372 CG ASN A 25 -11.244 0.088 4.368 1.00 0.00 C ATOM 373 OD1 ASN A 25 -12.458 -0.122 4.300 1.00 0.00 O ATOM 374 ND2 ASN A 25 -10.514 -0.285 5.410 1.00 0.00 N ATOM 0 H ASN A 25 -7.565 0.248 4.628 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.037 -0.710 3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.558 1.889 3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.009 0.621 2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.954 -0.765 6.195 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.513 -0.092 5.426 1.00 0.00 H new ATOM 381 N LYS A 26 -8.565 2.017 1.439 1.00 0.00 N ATOM 382 CA LYS A 26 -7.911 2.520 0.249 1.00 0.00 C ATOM 383 C LYS A 26 -7.002 3.670 0.650 1.00 0.00 C ATOM 384 O LYS A 26 -6.427 3.659 1.733 1.00 0.00 O ATOM 385 CB LYS A 26 -8.938 2.972 -0.797 1.00 0.00 C ATOM 386 CG LYS A 26 -10.009 1.934 -1.111 1.00 0.00 C ATOM 387 CD LYS A 26 -9.411 0.605 -1.549 1.00 0.00 C ATOM 388 CE LYS A 26 -10.333 -0.561 -1.216 1.00 0.00 C ATOM 389 NZ LYS A 26 -9.724 -1.489 -0.226 1.00 0.00 N ATOM 0 H LYS A 26 -9.119 2.710 1.942 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.321 1.725 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.423 3.882 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.414 3.227 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.631 1.778 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.661 2.314 -1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.223 0.626 -2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.448 0.460 -1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.274 -0.178 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.569 -1.109 -2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.470 -2.381 -0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.869 -1.055 0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.406 -1.681 0.535 1.00 0.00 H new ATOM 403 N HIS A 27 -6.868 4.662 -0.202 1.00 0.00 N ATOM 404 CA HIS A 27 -6.060 5.825 0.139 1.00 0.00 C ATOM 405 C HIS A 27 -6.715 7.107 -0.366 1.00 0.00 C ATOM 406 O HIS A 27 -6.423 7.582 -1.465 1.00 0.00 O ATOM 407 CB HIS A 27 -4.613 5.693 -0.379 1.00 0.00 C ATOM 408 CG HIS A 27 -4.482 5.351 -1.836 1.00 0.00 C ATOM 409 ND1 HIS A 27 -4.121 6.272 -2.794 1.00 0.00 N ATOM 410 CD2 HIS A 27 -4.645 4.179 -2.491 1.00 0.00 C ATOM 411 CE1 HIS A 27 -4.072 5.684 -3.972 1.00 0.00 C ATOM 412 NE2 HIS A 27 -4.387 4.413 -3.818 1.00 0.00 N ATOM 0 H HIS A 27 -7.299 4.693 -1.126 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.004 5.878 1.226 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.091 6.632 -0.195 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.104 4.926 0.205 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.922 7.257 -2.619 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.926 3.234 -2.051 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.817 6.162 -4.906 1.00 0.00 H new ATOM 421 N PRO A 28 -7.633 7.672 0.429 1.00 0.00 N ATOM 422 CA PRO A 28 -8.296 8.931 0.102 1.00 0.00 C ATOM 423 C PRO A 28 -7.346 10.110 0.262 1.00 0.00 C ATOM 424 O PRO A 28 -7.168 10.625 1.368 1.00 0.00 O ATOM 425 CB PRO A 28 -9.446 9.024 1.117 1.00 0.00 C ATOM 426 CG PRO A 28 -9.488 7.698 1.806 1.00 0.00 C ATOM 427 CD PRO A 28 -8.103 7.134 1.708 1.00 0.00 C ATOM 0 HA PRO A 28 -8.640 8.960 -0.932 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.274 9.830 1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.392 9.236 0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.791 7.809 2.847 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.213 7.036 1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.474 7.454 2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.107 6.044 1.713 1.00 0.00 H new ATOM 435 N ASP A 29 -6.737 10.509 -0.853 1.00 0.00 N ATOM 436 CA ASP A 29 -5.761 11.600 -0.893 1.00 0.00 C ATOM 437 C ASP A 29 -4.421 11.162 -0.293 1.00 0.00 C ATOM 438 O ASP A 29 -4.367 10.287 0.574 1.00 0.00 O ATOM 439 CB ASP A 29 -6.292 12.851 -0.183 1.00 0.00 C ATOM 440 CG ASP A 29 -6.889 13.855 -1.146 1.00 0.00 C ATOM 441 OD1 ASP A 29 -7.347 13.447 -2.239 1.00 0.00 O ATOM 442 OD2 ASP A 29 -6.910 15.059 -0.817 1.00 0.00 O ATOM 0 H ASP A 29 -6.908 10.081 -1.763 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.597 11.855 -1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.048 12.558 0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.480 13.322 0.371 1.00 0.00 H new ATOM 447 N PRO A 30 -3.312 11.754 -0.769 1.00 0.00 N ATOM 448 CA PRO A 30 -1.957 11.405 -0.313 1.00 0.00 C ATOM 449 C PRO A 30 -1.706 11.752 1.154 1.00 0.00 C ATOM 450 O PRO A 30 -0.696 11.343 1.725 1.00 0.00 O ATOM 451 CB PRO A 30 -1.044 12.240 -1.220 1.00 0.00 C ATOM 452 CG PRO A 30 -1.899 13.360 -1.699 1.00 0.00 C ATOM 453 CD PRO A 30 -3.287 12.801 -1.806 1.00 0.00 C ATOM 0 HA PRO A 30 -1.785 10.330 -0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.177 12.611 -0.674 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.666 11.647 -2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.868 14.199 -1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.552 13.731 -2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.043 13.565 -1.625 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.480 12.390 -2.797 1.00 0.00 H new ATOM 461 N THR A 31 -2.632 12.496 1.754 1.00 0.00 N ATOM 462 CA THR A 31 -2.509 12.935 3.138 1.00 0.00 C ATOM 463 C THR A 31 -2.230 11.762 4.079 1.00 0.00 C ATOM 464 O THR A 31 -1.329 11.831 4.916 1.00 0.00 O ATOM 465 CB THR A 31 -3.788 13.665 3.578 1.00 0.00 C ATOM 466 OG1 THR A 31 -4.611 13.905 2.426 1.00 0.00 O ATOM 467 CG2 THR A 31 -3.458 14.987 4.249 1.00 0.00 C ATOM 0 H THR A 31 -3.486 12.810 1.294 1.00 0.00 H new ATOM 0 HA THR A 31 -1.662 13.619 3.194 1.00 0.00 H new ATOM 0 HB THR A 31 -4.317 13.040 4.297 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.430 14.369 2.700 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.381 15.483 4.550 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.840 14.804 5.128 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.915 15.624 3.551 1.00 0.00 H new ATOM 475 N THR A 32 -2.989 10.683 3.927 1.00 0.00 N ATOM 476 CA THR A 32 -2.765 9.482 4.711 1.00 0.00 C ATOM 477 C THR A 32 -1.379 8.913 4.431 1.00 0.00 C ATOM 478 O THR A 32 -0.612 8.646 5.352 1.00 0.00 O ATOM 479 CB THR A 32 -3.821 8.404 4.389 1.00 0.00 C ATOM 480 OG1 THR A 32 -5.137 8.966 4.436 1.00 0.00 O ATOM 481 CG2 THR A 32 -3.728 7.235 5.359 1.00 0.00 C ATOM 0 H THR A 32 -3.764 10.619 3.267 1.00 0.00 H new ATOM 0 HA THR A 32 -2.845 9.758 5.763 1.00 0.00 H new ATOM 0 HB THR A 32 -3.622 8.034 3.383 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.797 8.272 4.228 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.484 6.492 5.107 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.738 6.783 5.291 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.894 7.592 6.375 1.00 0.00 H new ATOM 489 N LEU A 33 -1.056 8.781 3.148 1.00 0.00 N ATOM 490 CA LEU A 33 0.178 8.131 2.716 1.00 0.00 C ATOM 491 C LEU A 33 1.415 8.812 3.293 1.00 0.00 C ATOM 492 O LEU A 33 2.267 8.154 3.886 1.00 0.00 O ATOM 493 CB LEU A 33 0.260 8.114 1.189 1.00 0.00 C ATOM 494 CG LEU A 33 1.093 6.978 0.600 1.00 0.00 C ATOM 495 CD1 LEU A 33 0.357 6.327 -0.559 1.00 0.00 C ATOM 496 CD2 LEU A 33 2.452 7.496 0.153 1.00 0.00 C ATOM 0 H LEU A 33 -1.638 9.119 2.382 1.00 0.00 H new ATOM 0 HA LEU A 33 0.155 7.108 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.751 8.049 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.677 9.063 0.852 1.00 0.00 H new ATOM 0 HG LEU A 33 1.250 6.224 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.964 5.519 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.593 5.925 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.171 7.070 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.035 6.675 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.316 8.267 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.980 7.917 1.008 1.00 0.00 H new ATOM 508 N CYS A 34 1.503 10.125 3.129 1.00 0.00 N ATOM 509 CA CYS A 34 2.656 10.880 3.609 1.00 0.00 C ATOM 510 C CYS A 34 2.824 10.741 5.122 1.00 0.00 C ATOM 511 O CYS A 34 3.944 10.693 5.633 1.00 0.00 O ATOM 512 CB CYS A 34 2.509 12.353 3.229 1.00 0.00 C ATOM 513 SG CYS A 34 2.177 12.621 1.473 1.00 0.00 S ATOM 0 H CYS A 34 0.791 10.691 2.668 1.00 0.00 H new ATOM 0 HA CYS A 34 3.548 10.471 3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.700 12.791 3.814 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.422 12.882 3.502 1.00 0.00 H new ATOM 0 HG CYS A 34 0.988 12.181 1.184 1.00 0.00 H new ATOM 519 N LEU A 35 1.705 10.660 5.830 1.00 0.00 N ATOM 520 CA LEU A 35 1.726 10.552 7.283 1.00 0.00 C ATOM 521 C LEU A 35 2.079 9.138 7.731 1.00 0.00 C ATOM 522 O LEU A 35 2.962 8.949 8.569 1.00 0.00 O ATOM 523 CB LEU A 35 0.375 10.958 7.866 1.00 0.00 C ATOM 524 CG LEU A 35 0.104 12.460 7.872 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.271 12.750 8.446 1.00 0.00 C ATOM 526 CD2 LEU A 35 1.179 13.189 8.663 1.00 0.00 C ATOM 0 H LEU A 35 0.771 10.667 5.421 1.00 0.00 H new ATOM 0 HA LEU A 35 2.496 11.229 7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.413 10.463 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.311 10.588 8.889 1.00 0.00 H new ATOM 0 HG LEU A 35 0.129 12.821 6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.447 13.826 8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.030 12.256 7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.324 12.377 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.972 14.259 8.658 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.184 12.825 9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.153 13.006 8.208 1.00 0.00 H new ATOM 538 N ILE A 36 1.396 8.151 7.162 1.00 0.00 N ATOM 539 CA ILE A 36 1.582 6.757 7.558 1.00 0.00 C ATOM 540 C ILE A 36 2.962 6.247 7.151 1.00 0.00 C ATOM 541 O ILE A 36 3.489 5.321 7.763 1.00 0.00 O ATOM 542 CB ILE A 36 0.486 5.833 6.976 1.00 0.00 C ATOM 543 CG1 ILE A 36 0.588 5.755 5.448 1.00 0.00 C ATOM 544 CG2 ILE A 36 -0.896 6.321 7.408 1.00 0.00 C ATOM 545 CD1 ILE A 36 -0.575 5.041 4.794 1.00 0.00 C ATOM 0 H ILE A 36 0.707 8.289 6.423 1.00 0.00 H new ATOM 0 HA ILE A 36 1.501 6.730 8.645 1.00 0.00 H new ATOM 0 HB ILE A 36 0.637 4.827 7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.654 6.766 5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.513 5.244 5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.660 5.664 6.993 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.961 6.312 8.496 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.054 7.336 7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.432 5.026 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.630 4.018 5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.502 5.564 5.030 1.00 0.00 H new ATOM 557 N ALA A 37 3.540 6.856 6.120 1.00 0.00 N ATOM 558 CA ALA A 37 4.891 6.513 5.686 1.00 0.00 C ATOM 559 C ALA A 37 5.889 6.746 6.814 1.00 0.00 C ATOM 560 O ALA A 37 6.655 5.852 7.181 1.00 0.00 O ATOM 561 CB ALA A 37 5.281 7.328 4.459 1.00 0.00 C ATOM 0 H ALA A 37 3.094 7.590 5.569 1.00 0.00 H new ATOM 0 HA ALA A 37 4.908 5.456 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.291 7.059 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.585 7.119 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.247 8.390 4.702 1.00 0.00 H new ATOM 567 N ALA A 38 5.850 7.950 7.375 1.00 0.00 N ATOM 568 CA ALA A 38 6.725 8.311 8.481 1.00 0.00 C ATOM 569 C ALA A 38 6.428 7.452 9.705 1.00 0.00 C ATOM 570 O ALA A 38 7.337 7.058 10.433 1.00 0.00 O ATOM 571 CB ALA A 38 6.577 9.790 8.813 1.00 0.00 C ATOM 0 H ALA A 38 5.218 8.694 7.079 1.00 0.00 H new ATOM 0 HA ALA A 38 7.756 8.127 8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.237 10.045 9.642 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.843 10.387 7.941 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.545 9.998 9.094 1.00 0.00 H new ATOM 577 N GLU A 39 5.150 7.149 9.910 1.00 0.00 N ATOM 578 CA GLU A 39 4.729 6.294 11.014 1.00 0.00 C ATOM 579 C GLU A 39 5.306 4.888 10.861 1.00 0.00 C ATOM 580 O GLU A 39 5.669 4.243 11.846 1.00 0.00 O ATOM 581 CB GLU A 39 3.202 6.226 11.084 1.00 0.00 C ATOM 582 CG GLU A 39 2.667 6.088 12.497 1.00 0.00 C ATOM 583 CD GLU A 39 2.150 7.395 13.059 1.00 0.00 C ATOM 584 OE1 GLU A 39 2.597 8.468 12.607 1.00 0.00 O ATOM 585 OE2 GLU A 39 1.286 7.355 13.960 1.00 0.00 O ATOM 0 H GLU A 39 4.386 7.484 9.324 1.00 0.00 H new ATOM 0 HA GLU A 39 5.107 6.726 11.940 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.785 7.126 10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.856 5.381 10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.864 5.351 12.506 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.457 5.707 13.144 1.00 0.00 H new ATOM 592 N ALA A 40 5.395 4.418 9.623 1.00 0.00 N ATOM 593 CA ALA A 40 5.965 3.107 9.338 1.00 0.00 C ATOM 594 C ALA A 40 7.489 3.156 9.362 1.00 0.00 C ATOM 595 O ALA A 40 8.155 2.116 9.340 1.00 0.00 O ATOM 596 CB ALA A 40 5.479 2.603 7.989 1.00 0.00 C ATOM 0 H ALA A 40 5.079 4.927 8.798 1.00 0.00 H new ATOM 0 HA ALA A 40 5.634 2.418 10.115 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.912 1.623 7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.392 2.523 8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.784 3.301 7.209 1.00 0.00 H new ATOM 602 N GLY A 41 8.032 4.368 9.402 1.00 0.00 N ATOM 603 CA GLY A 41 9.470 4.546 9.427 1.00 0.00 C ATOM 604 C GLY A 41 10.104 4.302 8.072 1.00 0.00 C ATOM 605 O GLY A 41 11.222 3.788 7.983 1.00 0.00 O ATOM 0 H GLY A 41 7.496 5.236 9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.703 5.558 9.757 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.906 3.864 10.157 1.00 0.00 H new ATOM 609 N LEU A 42 9.394 4.669 7.015 1.00 0.00 N ATOM 610 CA LEU A 42 9.857 4.436 5.668 1.00 0.00 C ATOM 611 C LEU A 42 9.466 5.623 4.781 1.00 0.00 C ATOM 612 O LEU A 42 8.608 6.423 5.155 1.00 0.00 O ATOM 613 CB LEU A 42 9.265 3.106 5.180 1.00 0.00 C ATOM 614 CG LEU A 42 8.850 3.054 3.722 1.00 0.00 C ATOM 615 CD1 LEU A 42 9.984 2.502 2.876 1.00 0.00 C ATOM 616 CD2 LEU A 42 7.599 2.204 3.557 1.00 0.00 C ATOM 0 H LEU A 42 8.488 5.133 7.073 1.00 0.00 H new ATOM 0 HA LEU A 42 10.943 4.357 5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.999 2.319 5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.394 2.873 5.793 1.00 0.00 H new ATOM 0 HG LEU A 42 8.624 4.066 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.676 2.469 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.859 3.145 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.233 1.496 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.314 2.177 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.799 1.191 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.787 2.635 4.142 1.00 0.00 H new ATOM 628 N THR A 43 10.104 5.751 3.626 1.00 0.00 N ATOM 629 CA THR A 43 9.918 6.922 2.775 1.00 0.00 C ATOM 630 C THR A 43 8.595 6.883 2.012 1.00 0.00 C ATOM 631 O THR A 43 7.995 5.821 1.817 1.00 0.00 O ATOM 632 CB THR A 43 11.072 7.066 1.773 1.00 0.00 C ATOM 633 OG1 THR A 43 11.639 5.783 1.495 1.00 0.00 O ATOM 634 CG2 THR A 43 12.147 7.994 2.315 1.00 0.00 C ATOM 0 H THR A 43 10.755 5.059 3.255 1.00 0.00 H new ATOM 0 HA THR A 43 9.902 7.783 3.443 1.00 0.00 H new ATOM 0 HB THR A 43 10.675 7.495 0.853 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.373 5.882 0.854 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.954 8.080 1.587 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.718 8.979 2.500 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.541 7.589 3.247 1.00 0.00 H new ATOM 642 N GLU A 44 8.172 8.056 1.564 1.00 0.00 N ATOM 643 CA GLU A 44 6.891 8.237 0.892 1.00 0.00 C ATOM 644 C GLU A 44 6.764 7.392 -0.374 1.00 0.00 C ATOM 645 O GLU A 44 5.767 6.702 -0.562 1.00 0.00 O ATOM 646 CB GLU A 44 6.724 9.707 0.532 1.00 0.00 C ATOM 647 CG GLU A 44 5.969 10.508 1.577 1.00 0.00 C ATOM 648 CD GLU A 44 6.896 11.246 2.517 1.00 0.00 C ATOM 649 OE1 GLU A 44 7.534 10.593 3.367 1.00 0.00 O ATOM 650 OE2 GLU A 44 6.998 12.485 2.406 1.00 0.00 O ATOM 0 H GLU A 44 8.712 8.917 1.657 1.00 0.00 H new ATOM 0 HA GLU A 44 6.111 7.909 1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.709 10.151 0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.199 9.782 -0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.315 11.224 1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.330 9.838 2.152 1.00 0.00 H new ATOM 657 N GLU A 45 7.775 7.450 -1.234 1.00 0.00 N ATOM 658 CA GLU A 45 7.711 6.804 -2.545 1.00 0.00 C ATOM 659 C GLU A 45 7.517 5.299 -2.426 1.00 0.00 C ATOM 660 O GLU A 45 6.716 4.714 -3.150 1.00 0.00 O ATOM 661 CB GLU A 45 8.974 7.098 -3.351 1.00 0.00 C ATOM 662 CG GLU A 45 8.817 8.263 -4.313 1.00 0.00 C ATOM 663 CD GLU A 45 9.802 9.377 -4.041 1.00 0.00 C ATOM 664 OE1 GLU A 45 10.963 9.074 -3.684 1.00 0.00 O ATOM 665 OE2 GLU A 45 9.424 10.558 -4.187 1.00 0.00 O ATOM 0 H GLU A 45 8.651 7.938 -1.049 1.00 0.00 H new ATOM 0 HA GLU A 45 6.846 7.217 -3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.793 7.311 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.253 6.207 -3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.950 7.907 -5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.802 8.654 -4.242 1.00 0.00 H new ATOM 672 N GLN A 46 8.242 4.677 -1.508 1.00 0.00 N ATOM 673 CA GLN A 46 8.141 3.238 -1.316 1.00 0.00 C ATOM 674 C GLN A 46 6.762 2.875 -0.777 1.00 0.00 C ATOM 675 O GLN A 46 6.184 1.858 -1.156 1.00 0.00 O ATOM 676 CB GLN A 46 9.222 2.742 -0.359 1.00 0.00 C ATOM 677 CG GLN A 46 10.602 3.315 -0.639 1.00 0.00 C ATOM 678 CD GLN A 46 11.594 2.255 -1.078 1.00 0.00 C ATOM 679 OE1 GLN A 46 11.464 1.682 -2.156 1.00 0.00 O ATOM 680 NE2 GLN A 46 12.594 1.996 -0.252 1.00 0.00 N ATOM 0 H GLN A 46 8.903 5.143 -0.887 1.00 0.00 H new ATOM 0 HA GLN A 46 8.286 2.753 -2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.934 2.995 0.661 1.00 0.00 H new ATOM 0 HB3 GLN A 46 9.272 1.655 -0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.524 4.078 -1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.976 3.808 0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.665 2.495 0.635 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.294 1.297 -0.502 1.00 0.00 H new ATOM 689 N THR A 47 6.244 3.721 0.103 1.00 0.00 N ATOM 690 CA THR A 47 4.902 3.548 0.637 1.00 0.00 C ATOM 691 C THR A 47 3.859 3.712 -0.469 1.00 0.00 C ATOM 692 O THR A 47 2.912 2.932 -0.569 1.00 0.00 O ATOM 693 CB THR A 47 4.630 4.564 1.766 1.00 0.00 C ATOM 694 OG1 THR A 47 5.755 4.615 2.656 1.00 0.00 O ATOM 695 CG2 THR A 47 3.383 4.191 2.552 1.00 0.00 C ATOM 0 H THR A 47 6.737 4.538 0.463 1.00 0.00 H new ATOM 0 HA THR A 47 4.829 2.540 1.046 1.00 0.00 H new ATOM 0 HB THR A 47 4.473 5.541 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.403 5.273 2.327 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.217 4.925 3.341 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.522 4.176 1.883 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.515 3.204 2.996 1.00 0.00 H new ATOM 703 N GLN A 48 4.063 4.720 -1.310 1.00 0.00 N ATOM 704 CA GLN A 48 3.167 4.998 -2.426 1.00 0.00 C ATOM 705 C GLN A 48 3.140 3.833 -3.402 1.00 0.00 C ATOM 706 O GLN A 48 2.072 3.323 -3.750 1.00 0.00 O ATOM 707 CB GLN A 48 3.619 6.264 -3.151 1.00 0.00 C ATOM 708 CG GLN A 48 2.481 7.184 -3.549 1.00 0.00 C ATOM 709 CD GLN A 48 2.972 8.561 -3.937 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.243 8.833 -5.108 1.00 0.00 O ATOM 711 NE2 GLN A 48 3.098 9.436 -2.956 1.00 0.00 N ATOM 0 H GLN A 48 4.850 5.365 -1.238 1.00 0.00 H new ATOM 0 HA GLN A 48 2.162 5.142 -2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.309 6.812 -2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.174 5.980 -4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.936 6.745 -4.385 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.778 7.270 -2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.862 9.168 -2.000 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.431 10.380 -3.154 1.00 0.00 H new ATOM 720 N LYS A 49 4.330 3.407 -3.816 1.00 0.00 N ATOM 721 CA LYS A 49 4.481 2.295 -4.747 1.00 0.00 C ATOM 722 C LYS A 49 3.771 1.056 -4.226 1.00 0.00 C ATOM 723 O LYS A 49 3.190 0.288 -4.993 1.00 0.00 O ATOM 724 CB LYS A 49 5.964 1.985 -4.955 1.00 0.00 C ATOM 725 CG LYS A 49 6.617 2.821 -6.041 1.00 0.00 C ATOM 726 CD LYS A 49 7.422 1.954 -6.991 1.00 0.00 C ATOM 727 CE LYS A 49 8.492 2.765 -7.703 1.00 0.00 C ATOM 728 NZ LYS A 49 9.781 2.776 -6.956 1.00 0.00 N ATOM 0 H LYS A 49 5.213 3.821 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 49 4.032 2.582 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.495 2.146 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.074 0.930 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.851 3.361 -6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.268 3.568 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.888 1.139 -6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.757 1.500 -7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.655 2.353 -8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.142 3.789 -7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.480 3.341 -7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.633 3.193 -6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.130 1.802 -6.852 1.00 0.00 H new ATOM 742 N TRP A 50 3.812 0.872 -2.917 1.00 0.00 N ATOM 743 CA TRP A 50 3.220 -0.295 -2.300 1.00 0.00 C ATOM 744 C TRP A 50 1.696 -0.172 -2.213 1.00 0.00 C ATOM 745 O TRP A 50 0.975 -1.079 -2.637 1.00 0.00 O ATOM 746 CB TRP A 50 3.815 -0.524 -0.911 1.00 0.00 C ATOM 747 CG TRP A 50 3.369 -1.814 -0.304 1.00 0.00 C ATOM 748 CD1 TRP A 50 3.991 -3.022 -0.396 1.00 0.00 C ATOM 749 CD2 TRP A 50 2.191 -2.024 0.473 1.00 0.00 C ATOM 750 NE1 TRP A 50 3.263 -3.973 0.271 1.00 0.00 N ATOM 751 CE2 TRP A 50 2.153 -3.385 0.812 1.00 0.00 C ATOM 752 CE3 TRP A 50 1.164 -1.188 0.912 1.00 0.00 C ATOM 753 CZ2 TRP A 50 1.122 -3.930 1.567 1.00 0.00 C ATOM 754 CZ3 TRP A 50 0.144 -1.726 1.663 1.00 0.00 C ATOM 755 CH2 TRP A 50 0.126 -3.089 1.983 1.00 0.00 C ATOM 0 H TRP A 50 4.251 1.520 -2.263 1.00 0.00 H new ATOM 0 HA TRP A 50 3.449 -1.155 -2.929 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.903 -0.515 -0.979 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.530 0.300 -0.257 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.919 -3.204 -0.917 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.509 -4.960 0.351 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.169 -0.136 0.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.107 -4.981 1.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.655 -1.087 2.011 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.690 -3.484 2.570 1.00 0.00 H new ATOM 766 N PHE A 51 1.205 0.943 -1.673 1.00 0.00 N ATOM 767 CA PHE A 51 -0.233 1.122 -1.464 1.00 0.00 C ATOM 768 C PHE A 51 -0.975 1.116 -2.801 1.00 0.00 C ATOM 769 O PHE A 51 -2.107 0.637 -2.890 1.00 0.00 O ATOM 770 CB PHE A 51 -0.524 2.420 -0.694 1.00 0.00 C ATOM 771 CG PHE A 51 -0.506 2.245 0.803 1.00 0.00 C ATOM 772 CD1 PHE A 51 0.696 2.139 1.480 1.00 0.00 C ATOM 773 CD2 PHE A 51 -1.686 2.180 1.532 1.00 0.00 C ATOM 774 CE1 PHE A 51 0.724 1.965 2.849 1.00 0.00 C ATOM 775 CE2 PHE A 51 -1.664 2.009 2.903 1.00 0.00 C ATOM 776 CZ PHE A 51 -0.456 1.902 3.562 1.00 0.00 C ATOM 0 H PHE A 51 1.777 1.732 -1.373 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.591 0.286 -0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.214 3.172 -0.973 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.499 2.802 -0.996 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.624 2.193 0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.634 2.264 1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.670 1.878 3.363 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.590 1.959 3.457 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.434 1.769 4.634 1.00 0.00 H new ATOM 786 N LYS A 52 -0.326 1.631 -3.843 1.00 0.00 N ATOM 787 CA LYS A 52 -0.901 1.609 -5.184 1.00 0.00 C ATOM 788 C LYS A 52 -0.928 0.183 -5.723 1.00 0.00 C ATOM 789 O LYS A 52 -1.871 -0.219 -6.409 1.00 0.00 O ATOM 790 CB LYS A 52 -0.104 2.515 -6.128 1.00 0.00 C ATOM 791 CG LYS A 52 -0.914 3.025 -7.310 1.00 0.00 C ATOM 792 CD LYS A 52 -0.019 3.591 -8.400 1.00 0.00 C ATOM 793 CE LYS A 52 -0.246 5.082 -8.591 1.00 0.00 C ATOM 794 NZ LYS A 52 0.393 5.584 -9.837 1.00 0.00 N ATOM 0 H LYS A 52 0.594 2.067 -3.784 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.923 1.984 -5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.277 3.367 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.761 1.966 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.515 2.212 -7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.607 3.795 -6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.025 3.411 -8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.212 3.070 -9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.316 5.285 -8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.155 5.623 -7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.216 6.604 -9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.418 5.413 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.007 5.086 -10.657 1.00 0.00 H new ATOM 808 N GLN A 53 0.103 -0.582 -5.392 1.00 0.00 N ATOM 809 CA GLN A 53 0.205 -1.965 -5.829 1.00 0.00 C ATOM 810 C GLN A 53 -0.912 -2.811 -5.221 1.00 0.00 C ATOM 811 O GLN A 53 -1.511 -3.650 -5.896 1.00 0.00 O ATOM 812 CB GLN A 53 1.585 -2.524 -5.459 1.00 0.00 C ATOM 813 CG GLN A 53 1.566 -3.920 -4.855 1.00 0.00 C ATOM 814 CD GLN A 53 2.845 -4.257 -4.113 1.00 0.00 C ATOM 815 OE1 GLN A 53 2.826 -5.014 -3.145 1.00 0.00 O ATOM 816 NE2 GLN A 53 3.961 -3.699 -4.557 1.00 0.00 N ATOM 0 H GLN A 53 0.885 -0.264 -4.819 1.00 0.00 H new ATOM 0 HA GLN A 53 0.092 -2.003 -6.912 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.207 -2.539 -6.354 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.060 -1.844 -4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.722 -4.003 -4.171 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.408 -4.652 -5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.934 -3.076 -5.364 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.848 -3.892 -4.092 1.00 0.00 H new ATOM 825 N ARG A 54 -1.209 -2.576 -3.947 1.00 0.00 N ATOM 826 CA ARG A 54 -2.263 -3.326 -3.271 1.00 0.00 C ATOM 827 C ARG A 54 -3.626 -2.904 -3.789 1.00 0.00 C ATOM 828 O ARG A 54 -4.575 -3.675 -3.753 1.00 0.00 O ATOM 829 CB ARG A 54 -2.206 -3.136 -1.757 1.00 0.00 C ATOM 830 CG ARG A 54 -0.815 -3.248 -1.169 1.00 0.00 C ATOM 831 CD ARG A 54 -0.086 -4.501 -1.635 1.00 0.00 C ATOM 832 NE ARG A 54 -0.271 -5.628 -0.728 1.00 0.00 N ATOM 833 CZ ARG A 54 -0.498 -6.874 -1.130 1.00 0.00 C ATOM 834 NH1 ARG A 54 -0.586 -7.148 -2.428 1.00 0.00 N ATOM 835 NH2 ARG A 54 -0.633 -7.839 -0.234 1.00 0.00 N ATOM 0 H ARG A 54 -0.741 -1.880 -3.367 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.103 -4.382 -3.487 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.615 -2.156 -1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.849 -3.879 -1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.234 -2.369 -1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.883 -3.254 -0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.442 -4.776 -2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.978 -4.285 -1.727 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.223 -5.449 0.275 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.479 -6.402 -3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.760 -8.104 -2.737 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.563 -7.625 0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.807 -8.797 -0.538 1.00 0.00 H new ATOM 849 N LEU A 55 -3.712 -1.674 -4.283 1.00 0.00 N ATOM 850 CA LEU A 55 -4.947 -1.175 -4.865 1.00 0.00 C ATOM 851 C LEU A 55 -5.253 -1.918 -6.162 1.00 0.00 C ATOM 852 O LEU A 55 -6.412 -2.127 -6.517 1.00 0.00 O ATOM 853 CB LEU A 55 -4.846 0.326 -5.129 1.00 0.00 C ATOM 854 CG LEU A 55 -6.183 1.062 -5.175 1.00 0.00 C ATOM 855 CD1 LEU A 55 -6.635 1.432 -3.773 1.00 0.00 C ATOM 856 CD2 LEU A 55 -6.071 2.298 -6.050 1.00 0.00 C ATOM 0 H LEU A 55 -2.941 -1.007 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.759 -1.348 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.227 0.776 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.330 0.480 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.933 0.400 -5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.589 1.956 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.750 0.527 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.891 2.079 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.031 2.814 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.311 2.965 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.791 2.004 -7.061 1.00 0.00 H new ATOM 868 N ALA A 56 -4.199 -2.311 -6.870 1.00 0.00 N ATOM 869 CA ALA A 56 -4.341 -3.125 -8.070 1.00 0.00 C ATOM 870 C ALA A 56 -4.688 -4.559 -7.691 1.00 0.00 C ATOM 871 O ALA A 56 -5.491 -5.218 -8.354 1.00 0.00 O ATOM 872 CB ALA A 56 -3.065 -3.087 -8.898 1.00 0.00 C ATOM 0 H ALA A 56 -3.235 -2.078 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.151 -2.716 -8.674 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.191 -3.701 -9.790 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.853 -2.059 -9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.235 -3.474 -8.306 1.00 0.00 H new ATOM 878 N GLU A 57 -4.076 -5.030 -6.610 1.00 0.00 N ATOM 879 CA GLU A 57 -4.337 -6.367 -6.091 1.00 0.00 C ATOM 880 C GLU A 57 -5.774 -6.483 -5.590 1.00 0.00 C ATOM 881 O GLU A 57 -6.428 -7.503 -5.791 1.00 0.00 O ATOM 882 CB GLU A 57 -3.369 -6.675 -4.948 1.00 0.00 C ATOM 883 CG GLU A 57 -2.036 -7.239 -5.406 1.00 0.00 C ATOM 884 CD GLU A 57 -1.919 -8.725 -5.145 1.00 0.00 C ATOM 885 OE1 GLU A 57 -1.769 -9.117 -3.966 1.00 0.00 O ATOM 886 OE2 GLU A 57 -1.989 -9.507 -6.111 1.00 0.00 O ATOM 0 H GLU A 57 -3.390 -4.500 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.192 -7.085 -6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.190 -5.762 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.839 -7.386 -4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.911 -7.049 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.228 -6.718 -4.892 1.00 0.00 H new ATOM 893 N TRP A 58 -6.254 -5.414 -4.956 1.00 0.00 N ATOM 894 CA TRP A 58 -7.592 -5.367 -4.367 1.00 0.00 C ATOM 895 C TRP A 58 -8.665 -5.697 -5.404 1.00 0.00 C ATOM 896 O TRP A 58 -9.652 -6.369 -5.100 1.00 0.00 O ATOM 897 CB TRP A 58 -7.824 -3.978 -3.738 1.00 0.00 C ATOM 898 CG TRP A 58 -9.232 -3.463 -3.812 1.00 0.00 C ATOM 899 CD1 TRP A 58 -10.348 -4.037 -3.274 1.00 0.00 C ATOM 900 CD2 TRP A 58 -9.670 -2.252 -4.444 1.00 0.00 C ATOM 901 NE1 TRP A 58 -11.451 -3.272 -3.550 1.00 0.00 N ATOM 902 CE2 TRP A 58 -11.062 -2.168 -4.260 1.00 0.00 C ATOM 903 CE3 TRP A 58 -9.023 -1.233 -5.150 1.00 0.00 C ATOM 904 CZ2 TRP A 58 -11.816 -1.108 -4.756 1.00 0.00 C ATOM 905 CZ3 TRP A 58 -9.772 -0.181 -5.640 1.00 0.00 C ATOM 906 CH2 TRP A 58 -11.155 -0.125 -5.440 1.00 0.00 C ATOM 0 H TRP A 58 -5.723 -4.552 -4.836 1.00 0.00 H new ATOM 0 HA TRP A 58 -7.664 -6.124 -3.586 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -7.525 -4.018 -2.691 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.167 -3.261 -4.230 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -10.360 -4.960 -2.713 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -12.408 -3.490 -3.271 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.955 -1.268 -5.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.885 -1.063 -4.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.282 0.611 -6.186 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -11.713 0.712 -5.834 1.00 0.00 H new ATOM 917 N ARG A 59 -8.454 -5.252 -6.636 1.00 0.00 N ATOM 918 CA ARG A 59 -9.417 -5.489 -7.702 1.00 0.00 C ATOM 919 C ARG A 59 -9.544 -6.981 -7.990 1.00 0.00 C ATOM 920 O ARG A 59 -10.604 -7.453 -8.402 1.00 0.00 O ATOM 921 CB ARG A 59 -9.010 -4.734 -8.969 1.00 0.00 C ATOM 922 CG ARG A 59 -9.096 -3.226 -8.817 1.00 0.00 C ATOM 923 CD ARG A 59 -9.772 -2.570 -10.011 1.00 0.00 C ATOM 924 NE ARG A 59 -9.678 -1.111 -9.948 1.00 0.00 N ATOM 925 CZ ARG A 59 -10.122 -0.285 -10.898 1.00 0.00 C ATOM 926 NH1 ARG A 59 -10.692 -0.766 -11.999 1.00 0.00 N ATOM 927 NH2 ARG A 59 -9.999 1.031 -10.741 1.00 0.00 N ATOM 0 H ARG A 59 -7.627 -4.727 -6.921 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.388 -5.118 -7.374 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.990 -5.009 -9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.651 -5.047 -9.793 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.649 -2.984 -7.909 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.093 -2.816 -8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.310 -2.926 -10.932 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.820 -2.867 -10.045 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.244 -0.697 -9.123 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.793 -1.773 -12.123 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.028 -0.127 -12.720 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.566 1.406 -9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.337 1.665 -11.465 1.00 0.00 H new ATOM 941 N ARG A 60 -8.468 -7.721 -7.743 1.00 0.00 N ATOM 942 CA ARG A 60 -8.459 -9.158 -7.971 1.00 0.00 C ATOM 943 C ARG A 60 -9.088 -9.895 -6.786 1.00 0.00 C ATOM 944 O ARG A 60 -9.741 -10.922 -6.961 1.00 0.00 O ATOM 945 CB ARG A 60 -7.024 -9.653 -8.234 1.00 0.00 C ATOM 946 CG ARG A 60 -6.462 -10.560 -7.147 1.00 0.00 C ATOM 947 CD ARG A 60 -5.084 -11.096 -7.509 1.00 0.00 C ATOM 948 NE ARG A 60 -4.149 -11.022 -6.383 1.00 0.00 N ATOM 949 CZ ARG A 60 -4.244 -11.755 -5.273 1.00 0.00 C ATOM 950 NH1 ARG A 60 -5.167 -12.703 -5.171 1.00 0.00 N ATOM 951 NH2 ARG A 60 -3.386 -11.561 -4.280 1.00 0.00 N ATOM 0 H ARG A 60 -7.590 -7.346 -7.384 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.058 -9.373 -8.856 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.006 -10.189 -9.183 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.369 -8.789 -8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.402 -10.008 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.144 -11.394 -6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.173 -12.131 -7.838 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.684 -10.528 -8.349 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.372 -10.365 -6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.809 -12.875 -5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.234 -13.260 -4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.657 -10.853 -4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.456 -12.120 -3.429 1.00 0.00 H new ATOM 965 N SER A 61 -8.900 -9.359 -5.584 1.00 0.00 N ATOM 966 CA SER A 61 -9.447 -9.972 -4.380 1.00 0.00 C ATOM 967 C SER A 61 -10.964 -9.833 -4.340 1.00 0.00 C ATOM 968 O SER A 61 -11.685 -10.818 -4.176 1.00 0.00 O ATOM 969 CB SER A 61 -8.826 -9.335 -3.137 1.00 0.00 C ATOM 970 OG SER A 61 -7.792 -8.431 -3.492 1.00 0.00 O ATOM 0 H SER A 61 -8.373 -8.502 -5.419 1.00 0.00 H new ATOM 0 HA SER A 61 -9.202 -11.034 -4.395 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.595 -8.809 -2.571 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.426 -10.113 -2.486 1.00 0.00 H new ATOM 0 HG SER A 61 -7.411 -8.035 -2.681 1.00 0.00 H new ATOM 976 N GLU A 62 -11.446 -8.608 -4.517 1.00 0.00 N ATOM 977 CA GLU A 62 -12.878 -8.340 -4.473 1.00 0.00 C ATOM 978 C GLU A 62 -13.569 -8.840 -5.739 1.00 0.00 C ATOM 979 O GLU A 62 -14.798 -8.933 -5.790 1.00 0.00 O ATOM 980 CB GLU A 62 -13.138 -6.845 -4.289 1.00 0.00 C ATOM 981 CG GLU A 62 -12.930 -6.368 -2.862 1.00 0.00 C ATOM 982 CD GLU A 62 -13.972 -5.359 -2.423 1.00 0.00 C ATOM 983 OE1 GLU A 62 -13.857 -4.173 -2.796 1.00 0.00 O ATOM 984 OE2 GLU A 62 -14.906 -5.746 -1.686 1.00 0.00 O ATOM 0 H GLU A 62 -10.867 -7.787 -4.692 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.293 -8.878 -3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.478 -6.285 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.160 -6.621 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.955 -7.226 -2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.939 -5.922 -2.773 1.00 0.00 H new ATOM 991 N GLY A 63 -12.773 -9.177 -6.752 1.00 0.00 N ATOM 992 CA GLY A 63 -13.324 -9.662 -8.003 1.00 0.00 C ATOM 993 C GLY A 63 -14.122 -8.595 -8.714 1.00 0.00 C ATOM 994 O GLY A 63 -15.264 -8.821 -9.115 1.00 0.00 O ATOM 0 H GLY A 63 -11.755 -9.122 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.515 -10.002 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.962 -10.525 -7.809 1.00 0.00 H new ATOM 998 N LEU A 64 -13.523 -7.426 -8.856 1.00 0.00 N ATOM 999 CA LEU A 64 -14.198 -6.286 -9.452 1.00 0.00 C ATOM 1000 C LEU A 64 -14.160 -6.373 -10.974 1.00 0.00 C ATOM 1001 O LEU A 64 -13.305 -7.058 -11.539 1.00 0.00 O ATOM 1002 CB LEU A 64 -13.542 -4.983 -8.985 1.00 0.00 C ATOM 1003 CG LEU A 64 -13.557 -4.756 -7.474 1.00 0.00 C ATOM 1004 CD1 LEU A 64 -12.534 -3.701 -7.088 1.00 0.00 C ATOM 1005 CD2 LEU A 64 -14.946 -4.352 -7.009 1.00 0.00 C ATOM 0 H LEU A 64 -12.563 -7.240 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.240 -6.296 -9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.508 -4.972 -9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.047 -4.146 -9.468 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.291 -5.691 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.556 -3.550 -6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.540 -4.032 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.771 -2.763 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.937 -4.195 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.243 -3.429 -7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -15.656 -5.142 -7.255 1.00 0.00 H new ATOM 1017 N PRO A 65 -15.099 -5.698 -11.652 1.00 0.00 N ATOM 1018 CA PRO A 65 -15.132 -5.646 -13.115 1.00 0.00 C ATOM 1019 C PRO A 65 -13.905 -4.935 -13.677 1.00 0.00 C ATOM 1020 O PRO A 65 -13.891 -3.714 -13.837 1.00 0.00 O ATOM 1021 CB PRO A 65 -16.408 -4.853 -13.432 1.00 0.00 C ATOM 1022 CG PRO A 65 -17.208 -4.884 -12.175 1.00 0.00 C ATOM 1023 CD PRO A 65 -16.212 -4.945 -11.056 1.00 0.00 C ATOM 0 HA PRO A 65 -15.128 -6.641 -13.561 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.173 -3.830 -13.725 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.956 -5.303 -14.259 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -17.837 -3.998 -12.090 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.871 -5.749 -12.155 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.902 -3.950 -10.736 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.619 -5.450 -10.180 1.00 0.00 H new ATOM 1031 N SER A 66 -12.858 -5.702 -13.929 1.00 0.00 N ATOM 1032 CA SER A 66 -11.633 -5.168 -14.500 1.00 0.00 C ATOM 1033 C SER A 66 -10.884 -6.260 -15.258 1.00 0.00 C ATOM 1034 O SER A 66 -9.654 -6.254 -15.335 1.00 0.00 O ATOM 1035 CB SER A 66 -10.748 -4.569 -13.400 1.00 0.00 C ATOM 1036 OG SER A 66 -11.363 -3.426 -12.817 1.00 0.00 O ATOM 0 H SER A 66 -12.832 -6.705 -13.745 1.00 0.00 H new ATOM 0 HA SER A 66 -11.891 -4.375 -15.202 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.561 -5.318 -12.631 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.780 -4.292 -13.817 1.00 0.00 H new ATOM 0 HG SER A 66 -12.254 -3.301 -13.205 1.00 0.00 H new ATOM 1042 N GLU A 67 -11.638 -7.212 -15.795 1.00 0.00 N ATOM 1043 CA GLU A 67 -11.067 -8.257 -16.630 1.00 0.00 C ATOM 1044 C GLU A 67 -11.041 -7.781 -18.078 1.00 0.00 C ATOM 1045 O GLU A 67 -9.984 -7.711 -18.709 1.00 0.00 O ATOM 1046 CB GLU A 67 -11.884 -9.541 -16.503 1.00 0.00 C ATOM 1047 CG GLU A 67 -11.103 -10.700 -15.912 1.00 0.00 C ATOM 1048 CD GLU A 67 -10.901 -11.819 -16.909 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -10.627 -11.523 -18.090 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -11.028 -12.996 -16.520 1.00 0.00 O ATOM 0 H GLU A 67 -12.647 -7.280 -15.666 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.049 -8.469 -16.303 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.757 -9.346 -15.880 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.253 -9.827 -17.488 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.133 -10.344 -15.567 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.631 -11.084 -15.039 1.00 0.00 H new ATOM 1057 N CYS A 68 -12.217 -7.451 -18.586 1.00 0.00 N ATOM 1058 CA CYS A 68 -12.346 -6.788 -19.874 1.00 0.00 C ATOM 1059 C CYS A 68 -12.317 -5.286 -19.648 1.00 0.00 C ATOM 1060 O CYS A 68 -12.109 -4.838 -18.517 1.00 0.00 O ATOM 1061 CB CYS A 68 -13.662 -7.193 -20.536 1.00 0.00 C ATOM 1062 SG CYS A 68 -15.025 -7.406 -19.366 1.00 0.00 S ATOM 0 H CYS A 68 -13.106 -7.634 -18.120 1.00 0.00 H new ATOM 0 HA CYS A 68 -11.525 -7.080 -20.529 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -13.939 -6.435 -21.269 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -13.513 -8.125 -21.081 1.00 0.00 H new ATOM 0 HG CYS A 68 -16.101 -7.746 -20.011 1.00 0.00 H new ATOM 1068 N ARG A 69 -12.533 -4.494 -20.686 1.00 0.00 N ATOM 1069 CA ARG A 69 -12.614 -3.062 -20.485 1.00 0.00 C ATOM 1070 C ARG A 69 -14.030 -2.688 -20.075 1.00 0.00 C ATOM 1071 O ARG A 69 -14.871 -2.356 -20.909 1.00 0.00 O ATOM 1072 CB ARG A 69 -12.214 -2.315 -21.759 1.00 0.00 C ATOM 1073 CG ARG A 69 -10.751 -1.913 -21.794 1.00 0.00 C ATOM 1074 CD ARG A 69 -10.337 -1.457 -23.181 1.00 0.00 C ATOM 1075 NE ARG A 69 -10.364 -2.553 -24.149 1.00 0.00 N ATOM 1076 CZ ARG A 69 -10.536 -2.389 -25.460 1.00 0.00 C ATOM 1077 NH1 ARG A 69 -10.746 -1.177 -25.965 1.00 0.00 N ATOM 1078 NH2 ARG A 69 -10.516 -3.446 -26.260 1.00 0.00 N ATOM 0 H ARG A 69 -12.652 -4.809 -21.649 1.00 0.00 H new ATOM 0 HA ARG A 69 -11.922 -2.775 -19.693 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.430 -2.945 -22.622 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.830 -1.421 -21.855 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.575 -1.111 -21.078 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.133 -2.756 -21.486 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.003 -0.662 -23.515 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.333 -1.035 -23.139 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.244 -3.503 -23.798 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.776 -0.366 -25.348 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.877 -1.059 -26.970 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.370 -4.377 -25.871 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.647 -3.328 -27.265 1.00 0.00 H new ATOM 1092 N SER A 70 -14.290 -2.777 -18.782 1.00 0.00 N ATOM 1093 CA SER A 70 -15.559 -2.358 -18.215 1.00 0.00 C ATOM 1094 C SER A 70 -15.336 -1.841 -16.799 1.00 0.00 C ATOM 1095 O SER A 70 -15.552 -2.559 -15.826 1.00 0.00 O ATOM 1096 CB SER A 70 -16.547 -3.534 -18.204 1.00 0.00 C ATOM 1097 OG SER A 70 -16.176 -4.526 -19.153 1.00 0.00 O ATOM 0 H SER A 70 -13.628 -3.141 -18.097 1.00 0.00 H new ATOM 0 HA SER A 70 -15.981 -1.559 -18.825 1.00 0.00 H new ATOM 0 HB2 SER A 70 -16.581 -3.975 -17.208 1.00 0.00 H new ATOM 0 HB3 SER A 70 -17.551 -3.171 -18.426 1.00 0.00 H new ATOM 0 HG SER A 70 -15.812 -5.307 -18.685 1.00 0.00 H new ATOM 1103 N VAL A 71 -14.918 -0.593 -16.683 1.00 0.00 N ATOM 1104 CA VAL A 71 -14.595 -0.032 -15.383 1.00 0.00 C ATOM 1105 C VAL A 71 -15.803 0.668 -14.784 1.00 0.00 C ATOM 1106 O VAL A 71 -16.181 1.757 -15.220 1.00 0.00 O ATOM 1107 CB VAL A 71 -13.414 0.957 -15.461 1.00 0.00 C ATOM 1108 CG1 VAL A 71 -12.992 1.397 -14.067 1.00 0.00 C ATOM 1109 CG2 VAL A 71 -12.242 0.332 -16.197 1.00 0.00 C ATOM 0 H VAL A 71 -14.795 0.048 -17.467 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.302 -0.864 -14.742 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.740 1.836 -16.016 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.158 2.094 -14.143 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.830 1.886 -13.571 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.685 0.526 -13.488 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.419 1.045 -16.242 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.917 -0.565 -15.669 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.548 0.067 -17.209 1.00 0.00 H new ATOM 1119 N THR A 72 -16.415 0.034 -13.798 1.00 0.00 N ATOM 1120 CA THR A 72 -17.549 0.618 -13.108 1.00 0.00 C ATOM 1121 C THR A 72 -17.070 1.556 -12.004 1.00 0.00 C ATOM 1122 O THR A 72 -17.109 1.222 -10.819 1.00 0.00 O ATOM 1123 CB THR A 72 -18.444 -0.482 -12.512 1.00 0.00 C ATOM 1124 OG1 THR A 72 -18.265 -1.696 -13.259 1.00 0.00 O ATOM 1125 CG2 THR A 72 -19.906 -0.068 -12.546 1.00 0.00 C ATOM 0 H THR A 72 -16.143 -0.888 -13.458 1.00 0.00 H new ATOM 0 HA THR A 72 -18.133 1.189 -13.830 1.00 0.00 H new ATOM 0 HB THR A 72 -18.158 -0.641 -11.472 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.942 -2.350 -12.988 1.00 0.00 H new ATOM 0 HG21 THR A 72 -20.519 -0.862 -12.119 1.00 0.00 H new ATOM 0 HG22 THR A 72 -20.039 0.845 -11.966 1.00 0.00 H new ATOM 0 HG23 THR A 72 -20.210 0.110 -13.578 1.00 0.00 H new ATOM 1133 N ASP A 73 -16.601 2.727 -12.408 1.00 0.00 N ATOM 1134 CA ASP A 73 -16.090 3.717 -11.473 1.00 0.00 C ATOM 1135 C ASP A 73 -16.602 5.095 -11.859 1.00 0.00 C ATOM 1136 O ASP A 73 -16.987 5.867 -10.962 1.00 0.00 O ATOM 1137 CB ASP A 73 -14.560 3.705 -11.465 1.00 0.00 C ATOM 1138 CG ASP A 73 -13.975 4.638 -10.425 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -14.072 4.333 -9.220 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -13.399 5.675 -10.810 1.00 0.00 O ATOM 1141 OXT ASP A 73 -16.650 5.385 -13.073 1.00 0.00 O ATOM 0 H ASP A 73 -16.564 3.016 -13.385 1.00 0.00 H new ATOM 0 HA ASP A 73 -16.441 3.472 -10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.209 2.690 -11.276 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.193 3.990 -12.451 1.00 0.00 H new TER 1146 ASP A 73