USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 519 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 116 TYR OH : rot -146:sc= 0.151 USER MOD Set 1.2: A 160 HIS : no HD1:sc= -11.8! C(o=-12!,f=-14!) USER MOD Set 2.1: A 105 SER OG : rot -123:sc= 1.08 USER MOD Set 2.2: A 108 THR OG1 : rot 94:sc= 0.242 USER MOD Set 2.3: A 163 ASN : amide:sc= -1.41 K(o=-0.085,f=-4.2!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -137:sc= -6.1! (180deg=-12.1!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0698 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot 2:sc= -3.57! USER MOD Single : A 127 THR OG1 : rot 39:sc= 0.137 USER MOD Single : A 146 LYS NZ :NH3+ -153:sc= 0.401 (180deg=-0.706) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot -4:sc= -3.01! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 MET CE :methyl -109:sc= -0.634 (180deg=-2.33!) USER MOD Single : A 157 GLN : amide:sc= 0.697 K(o=0.7,f=-0.32) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 76.670 -7.058 3.304 1.00 0.00 N ATOM 2 CA LYS A 98 76.492 -5.921 2.354 1.00 0.00 C ATOM 3 C LYS A 98 75.121 -6.012 1.675 1.00 0.00 C ATOM 4 O LYS A 98 74.687 -7.076 1.282 1.00 0.00 O ATOM 5 CB LYS A 98 77.611 -6.079 1.316 1.00 0.00 C ATOM 6 CG LYS A 98 78.886 -6.602 1.987 1.00 0.00 C ATOM 7 CD LYS A 98 80.094 -6.314 1.094 1.00 0.00 C ATOM 8 CE LYS A 98 80.147 -7.342 -0.040 1.00 0.00 C ATOM 9 NZ LYS A 98 81.047 -6.743 -1.063 1.00 0.00 N ATOM 0 HA LYS A 98 76.540 -4.956 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.295 -6.768 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 98 77.810 -5.120 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.018 -6.126 2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 98 78.801 -7.674 2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 98 80.024 -5.307 0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 98 81.012 -6.356 1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 98 80.532 -8.299 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 98 79.154 -7.529 -0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 81.133 -7.391 -1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 80.652 -5.837 -1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 81.987 -6.582 -0.647 1.00 0.00 H new ATOM 23 N MET A 99 74.438 -4.908 1.527 1.00 0.00 N ATOM 24 CA MET A 99 73.103 -4.951 0.863 1.00 0.00 C ATOM 25 C MET A 99 72.985 -3.837 -0.179 1.00 0.00 C ATOM 26 O MET A 99 73.840 -2.978 -0.289 1.00 0.00 O ATOM 27 CB MET A 99 72.080 -4.737 1.977 1.00 0.00 C ATOM 28 CG MET A 99 72.512 -3.569 2.861 1.00 0.00 C ATOM 29 SD MET A 99 71.264 -3.295 4.142 1.00 0.00 S ATOM 30 CE MET A 99 69.805 -3.366 3.076 1.00 0.00 C ATOM 0 H MET A 99 74.744 -3.985 1.835 1.00 0.00 H new ATOM 0 HA MET A 99 72.947 -5.896 0.343 1.00 0.00 H new ATOM 0 HB2 MET A 99 71.098 -4.536 1.548 1.00 0.00 H new ATOM 0 HB3 MET A 99 71.987 -5.643 2.576 1.00 0.00 H new ATOM 0 HG2 MET A 99 73.478 -3.782 3.318 1.00 0.00 H new ATOM 0 HG3 MET A 99 72.636 -2.669 2.259 1.00 0.00 H new ATOM 0 HE1 MET A 99 69.113 -2.570 3.352 1.00 0.00 H new ATOM 0 HE2 MET A 99 70.107 -3.239 2.036 1.00 0.00 H new ATOM 0 HE3 MET A 99 69.313 -4.331 3.196 1.00 0.00 H new ATOM 40 N PHE A 100 71.930 -3.852 -0.943 1.00 0.00 N ATOM 41 CA PHE A 100 71.741 -2.807 -1.986 1.00 0.00 C ATOM 42 C PHE A 100 70.433 -2.048 -1.738 1.00 0.00 C ATOM 43 O PHE A 100 69.386 -2.637 -1.552 1.00 0.00 O ATOM 44 CB PHE A 100 71.686 -3.594 -3.298 1.00 0.00 C ATOM 45 CG PHE A 100 71.693 -2.660 -4.487 1.00 0.00 C ATOM 46 CD1 PHE A 100 70.672 -1.716 -4.655 1.00 0.00 C ATOM 47 CD2 PHE A 100 72.722 -2.750 -5.432 1.00 0.00 C ATOM 48 CE1 PHE A 100 70.682 -0.866 -5.768 1.00 0.00 C ATOM 49 CE2 PHE A 100 72.732 -1.898 -6.542 1.00 0.00 C ATOM 50 CZ PHE A 100 71.712 -0.957 -6.711 1.00 0.00 C ATOM 0 H PHE A 100 71.186 -4.548 -0.889 1.00 0.00 H new ATOM 0 HA PHE A 100 72.533 -2.058 -1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 100 72.538 -4.271 -3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 100 70.787 -4.210 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 100 69.878 -1.644 -3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 100 73.509 -3.478 -5.304 1.00 0.00 H new ATOM 0 HE1 PHE A 100 69.894 -0.139 -5.899 1.00 0.00 H new ATOM 0 HE2 PHE A 100 73.528 -1.967 -7.269 1.00 0.00 H new ATOM 0 HZ PHE A 100 71.719 -0.301 -7.569 1.00 0.00 H new ATOM 60 N ILE A 101 70.487 -0.745 -1.735 1.00 0.00 N ATOM 61 CA ILE A 101 69.252 0.063 -1.501 1.00 0.00 C ATOM 62 C ILE A 101 68.888 0.818 -2.778 1.00 0.00 C ATOM 63 O ILE A 101 69.402 1.886 -3.048 1.00 0.00 O ATOM 64 CB ILE A 101 69.612 1.038 -0.375 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.513 0.338 0.650 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.333 1.504 0.323 1.00 0.00 C ATOM 67 CD1 ILE A 101 69.911 -1.020 1.016 1.00 0.00 C ATOM 0 H ILE A 101 71.336 -0.200 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 101 68.393 -0.552 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 101 70.137 1.894 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.514 0.205 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.614 0.955 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.588 2.198 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 101 67.687 2.004 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 101 67.812 0.643 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.551 -1.517 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 101 68.919 -0.875 1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 101 69.833 -1.637 0.121 1.00 0.00 H new ATOM 79 N GLY A 102 68.012 0.266 -3.574 1.00 0.00 N ATOM 80 CA GLY A 102 67.629 0.950 -4.842 1.00 0.00 C ATOM 81 C GLY A 102 66.441 1.880 -4.598 1.00 0.00 C ATOM 82 O GLY A 102 65.420 1.478 -4.078 1.00 0.00 O ATOM 0 H GLY A 102 67.547 -0.625 -3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.475 1.520 -5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.372 0.210 -5.600 1.00 0.00 H new ATOM 86 N GLY A 103 66.566 3.122 -4.978 1.00 0.00 N ATOM 87 CA GLY A 103 65.445 4.081 -4.775 1.00 0.00 C ATOM 88 C GLY A 103 65.952 5.324 -4.041 1.00 0.00 C ATOM 89 O GLY A 103 65.243 5.920 -3.255 1.00 0.00 O ATOM 0 H GLY A 103 67.397 3.514 -5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 103 65.018 4.364 -5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.649 3.608 -4.200 1.00 0.00 H new ATOM 93 N LEU A 104 67.171 5.725 -4.287 1.00 0.00 N ATOM 94 CA LEU A 104 67.705 6.934 -3.593 1.00 0.00 C ATOM 95 C LEU A 104 67.392 8.194 -4.409 1.00 0.00 C ATOM 96 O LEU A 104 67.239 8.141 -5.613 1.00 0.00 O ATOM 97 CB LEU A 104 69.216 6.712 -3.500 1.00 0.00 C ATOM 98 CG LEU A 104 69.572 6.147 -2.122 1.00 0.00 C ATOM 99 CD1 LEU A 104 69.000 7.049 -1.029 1.00 0.00 C ATOM 100 CD2 LEU A 104 68.987 4.741 -1.981 1.00 0.00 C ATOM 0 H LEU A 104 67.816 5.272 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 104 67.258 7.074 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.541 6.024 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.742 7.652 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 104 70.656 6.103 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.256 6.642 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 104 69.420 8.050 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 104 67.916 7.099 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 104 69.240 4.338 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 104 67.903 4.786 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 104 69.400 4.096 -2.756 1.00 0.00 H new ATOM 112 N SER A 105 67.283 9.323 -3.760 1.00 0.00 N ATOM 113 CA SER A 105 66.966 10.584 -4.495 1.00 0.00 C ATOM 114 C SER A 105 68.246 11.302 -4.945 1.00 0.00 C ATOM 115 O SER A 105 69.291 11.181 -4.339 1.00 0.00 O ATOM 116 CB SER A 105 66.196 11.438 -3.486 1.00 0.00 C ATOM 117 OG SER A 105 66.885 12.664 -3.275 1.00 0.00 O ATOM 0 H SER A 105 67.400 9.427 -2.752 1.00 0.00 H new ATOM 0 HA SER A 105 66.393 10.392 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 105 65.189 11.634 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 105 66.092 10.900 -2.543 1.00 0.00 H new ATOM 0 HG SER A 105 67.092 12.763 -2.322 1.00 0.00 H new ATOM 123 N TRP A 106 68.158 12.056 -6.007 1.00 0.00 N ATOM 124 CA TRP A 106 69.350 12.800 -6.514 1.00 0.00 C ATOM 125 C TRP A 106 70.003 13.610 -5.390 1.00 0.00 C ATOM 126 O TRP A 106 71.162 13.971 -5.466 1.00 0.00 O ATOM 127 CB TRP A 106 68.785 13.750 -7.569 1.00 0.00 C ATOM 128 CG TRP A 106 69.185 13.295 -8.933 1.00 0.00 C ATOM 129 CD1 TRP A 106 70.446 13.313 -9.421 1.00 0.00 C ATOM 130 CD2 TRP A 106 68.343 12.760 -9.994 1.00 0.00 C ATOM 131 NE1 TRP A 106 70.431 12.823 -10.714 1.00 0.00 N ATOM 132 CE2 TRP A 106 69.158 12.469 -11.113 1.00 0.00 C ATOM 133 CE3 TRP A 106 66.964 12.501 -10.092 1.00 0.00 C ATOM 134 CZ2 TRP A 106 68.623 11.939 -12.288 1.00 0.00 C ATOM 135 CZ3 TRP A 106 66.422 11.969 -11.272 1.00 0.00 C ATOM 136 CH2 TRP A 106 67.250 11.689 -12.369 1.00 0.00 C ATOM 0 H TRP A 106 67.305 12.190 -6.550 1.00 0.00 H new ATOM 0 HA TRP A 106 70.113 12.129 -6.908 1.00 0.00 H new ATOM 0 HB2 TRP A 106 67.698 13.786 -7.493 1.00 0.00 H new ATOM 0 HB3 TRP A 106 69.151 14.762 -7.392 1.00 0.00 H new ATOM 0 HD1 TRP A 106 71.321 13.654 -8.888 1.00 0.00 H new ATOM 0 HE1 TRP A 106 71.260 12.734 -11.302 1.00 0.00 H new ATOM 0 HE3 TRP A 106 66.318 12.713 -9.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 69.265 11.723 -13.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 65.362 11.774 -11.336 1.00 0.00 H new ATOM 0 HH2 TRP A 106 66.827 11.281 -13.275 1.00 0.00 H new ATOM 147 N ASP A 107 69.266 13.926 -4.360 1.00 0.00 N ATOM 148 CA ASP A 107 69.850 14.743 -3.255 1.00 0.00 C ATOM 149 C ASP A 107 70.104 13.901 -1.998 1.00 0.00 C ATOM 150 O ASP A 107 70.082 14.409 -0.895 1.00 0.00 O ATOM 151 CB ASP A 107 68.803 15.821 -2.970 1.00 0.00 C ATOM 152 CG ASP A 107 69.093 17.053 -3.831 1.00 0.00 C ATOM 153 OD1 ASP A 107 69.866 16.928 -4.767 1.00 0.00 O ATOM 154 OD2 ASP A 107 68.537 18.099 -3.540 1.00 0.00 O ATOM 0 H ASP A 107 68.290 13.656 -4.235 1.00 0.00 H new ATOM 0 HA ASP A 107 70.817 15.159 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 107 67.805 15.440 -3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 107 68.820 16.090 -1.914 1.00 0.00 H new ATOM 159 N THR A 108 70.359 12.629 -2.142 1.00 0.00 N ATOM 160 CA THR A 108 70.627 11.799 -0.930 1.00 0.00 C ATOM 161 C THR A 108 72.127 11.796 -0.625 1.00 0.00 C ATOM 162 O THR A 108 72.929 12.263 -1.407 1.00 0.00 O ATOM 163 CB THR A 108 70.145 10.388 -1.270 1.00 0.00 C ATOM 164 OG1 THR A 108 69.038 10.465 -2.156 1.00 0.00 O ATOM 165 CG2 THR A 108 69.720 9.680 0.016 1.00 0.00 C ATOM 0 H THR A 108 70.394 12.133 -3.032 1.00 0.00 H new ATOM 0 HA THR A 108 70.115 12.188 -0.050 1.00 0.00 H new ATOM 0 HB THR A 108 70.951 9.831 -1.747 1.00 0.00 H new ATOM 0 HG1 THR A 108 69.354 10.392 -3.081 1.00 0.00 H new ATOM 0 HG21 THR A 108 69.375 8.673 -0.220 1.00 0.00 H new ATOM 0 HG22 THR A 108 70.569 9.623 0.697 1.00 0.00 H new ATOM 0 HG23 THR A 108 68.912 10.239 0.489 1.00 0.00 H new ATOM 173 N THR A 109 72.512 11.270 0.506 1.00 0.00 N ATOM 174 CA THR A 109 73.961 11.238 0.855 1.00 0.00 C ATOM 175 C THR A 109 74.284 9.971 1.650 1.00 0.00 C ATOM 176 O THR A 109 73.417 9.361 2.240 1.00 0.00 O ATOM 177 CB THR A 109 74.190 12.478 1.721 1.00 0.00 C ATOM 178 OG1 THR A 109 73.226 12.505 2.765 1.00 0.00 O ATOM 179 CG2 THR A 109 74.057 13.737 0.865 1.00 0.00 C ATOM 0 H THR A 109 71.888 10.862 1.202 1.00 0.00 H new ATOM 0 HA THR A 109 74.597 11.234 -0.031 1.00 0.00 H new ATOM 0 HB THR A 109 75.192 12.443 2.150 1.00 0.00 H new ATOM 0 HG1 THR A 109 73.370 13.297 3.323 1.00 0.00 H new ATOM 0 HG21 THR A 109 74.221 14.618 1.486 1.00 0.00 H new ATOM 0 HG22 THR A 109 74.798 13.713 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 109 73.057 13.779 0.432 1.00 0.00 H new ATOM 187 N LYS A 110 75.524 9.575 1.677 1.00 0.00 N ATOM 188 CA LYS A 110 75.893 8.354 2.444 1.00 0.00 C ATOM 189 C LYS A 110 75.600 8.572 3.930 1.00 0.00 C ATOM 190 O LYS A 110 75.601 7.648 4.719 1.00 0.00 O ATOM 191 CB LYS A 110 77.393 8.177 2.206 1.00 0.00 C ATOM 192 CG LYS A 110 77.937 7.095 3.141 1.00 0.00 C ATOM 193 CD LYS A 110 79.463 7.044 3.031 1.00 0.00 C ATOM 194 CE LYS A 110 79.863 6.699 1.593 1.00 0.00 C ATOM 195 NZ LYS A 110 80.808 7.778 1.185 1.00 0.00 N ATOM 0 H LYS A 110 76.297 10.042 1.203 1.00 0.00 H new ATOM 0 HA LYS A 110 75.330 7.474 2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.577 7.900 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 110 77.913 9.119 2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.643 7.307 4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 110 77.511 6.126 2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 110 79.891 8.005 3.318 1.00 0.00 H new ATOM 0 HD3 LYS A 110 79.863 6.299 3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 110 80.337 5.719 1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 110 78.992 6.668 0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 81.126 7.610 0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 80.328 8.699 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 81.630 7.779 1.822 1.00 0.00 H new ATOM 209 N LYS A 111 75.347 9.795 4.315 1.00 0.00 N ATOM 210 CA LYS A 111 75.055 10.083 5.748 1.00 0.00 C ATOM 211 C LYS A 111 73.564 9.888 6.038 1.00 0.00 C ATOM 212 O LYS A 111 73.185 9.085 6.867 1.00 0.00 O ATOM 213 CB LYS A 111 75.458 11.545 5.947 1.00 0.00 C ATOM 214 CG LYS A 111 76.531 11.635 7.035 1.00 0.00 C ATOM 215 CD LYS A 111 77.350 12.915 6.841 1.00 0.00 C ATOM 216 CE LYS A 111 78.408 13.017 7.942 1.00 0.00 C ATOM 217 NZ LYS A 111 79.712 13.050 7.221 1.00 0.00 N ATOM 0 H LYS A 111 75.330 10.607 3.698 1.00 0.00 H new ATOM 0 HA LYS A 111 75.594 9.417 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 111 75.837 11.959 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.588 12.138 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 111 76.065 11.634 8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 111 77.183 10.763 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 111 77.829 12.908 5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 111 76.695 13.786 6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 111 78.267 13.915 8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 111 78.354 12.166 8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 80.488 13.120 7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 79.822 12.180 6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 79.737 13.874 6.587 1.00 0.00 H new ATOM 231 N ASP A 112 72.712 10.614 5.364 1.00 0.00 N ATOM 232 CA ASP A 112 71.250 10.460 5.614 1.00 0.00 C ATOM 233 C ASP A 112 70.853 8.983 5.498 1.00 0.00 C ATOM 234 O ASP A 112 70.090 8.470 6.294 1.00 0.00 O ATOM 235 CB ASP A 112 70.563 11.323 4.541 1.00 0.00 C ATOM 236 CG ASP A 112 70.284 10.498 3.280 1.00 0.00 C ATOM 237 OD1 ASP A 112 71.231 9.980 2.712 1.00 0.00 O ATOM 238 OD2 ASP A 112 69.127 10.399 2.907 1.00 0.00 O ATOM 0 H ASP A 112 72.964 11.303 4.655 1.00 0.00 H new ATOM 0 HA ASP A 112 70.957 10.778 6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.629 11.724 4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 112 71.196 12.175 4.292 1.00 0.00 H new ATOM 243 N LEU A 113 71.376 8.293 4.519 1.00 0.00 N ATOM 244 CA LEU A 113 71.039 6.850 4.360 1.00 0.00 C ATOM 245 C LEU A 113 71.684 6.045 5.491 1.00 0.00 C ATOM 246 O LEU A 113 71.041 5.246 6.143 1.00 0.00 O ATOM 247 CB LEU A 113 71.634 6.451 3.008 1.00 0.00 C ATOM 248 CG LEU A 113 71.142 5.055 2.620 1.00 0.00 C ATOM 249 CD1 LEU A 113 69.764 5.160 1.964 1.00 0.00 C ATOM 250 CD2 LEU A 113 72.126 4.424 1.634 1.00 0.00 C ATOM 0 H LEU A 113 72.022 8.667 3.823 1.00 0.00 H new ATOM 0 HA LEU A 113 69.966 6.662 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.345 7.174 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.723 6.462 3.061 1.00 0.00 H new ATOM 0 HG LEU A 113 71.072 4.435 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.415 4.165 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.061 5.610 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 113 69.833 5.781 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 113 71.776 3.429 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 113 72.196 5.046 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 113 73.108 4.346 2.100 1.00 0.00 H new ATOM 262 N LYS A 114 72.948 6.259 5.732 1.00 0.00 N ATOM 263 CA LYS A 114 73.636 5.520 6.826 1.00 0.00 C ATOM 264 C LYS A 114 72.841 5.664 8.129 1.00 0.00 C ATOM 265 O LYS A 114 72.581 4.699 8.822 1.00 0.00 O ATOM 266 CB LYS A 114 75.007 6.195 6.941 1.00 0.00 C ATOM 267 CG LYS A 114 75.617 5.935 8.322 1.00 0.00 C ATOM 268 CD LYS A 114 76.850 6.821 8.507 1.00 0.00 C ATOM 269 CE LYS A 114 77.163 6.959 9.999 1.00 0.00 C ATOM 270 NZ LYS A 114 78.602 7.339 10.056 1.00 0.00 N ATOM 0 H LYS A 114 73.535 6.915 5.217 1.00 0.00 H new ATOM 0 HA LYS A 114 73.725 4.452 6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.672 5.816 6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 114 74.906 7.268 6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 114 74.884 6.145 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 114 75.892 4.885 8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 114 77.703 6.388 7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 114 76.673 7.804 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 114 76.535 7.718 10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 114 76.980 6.024 10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 78.892 7.452 11.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 79.176 6.595 9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 78.745 8.236 9.549 1.00 0.00 H new ATOM 284 N ASP A 115 72.453 6.863 8.468 1.00 0.00 N ATOM 285 CA ASP A 115 71.681 7.061 9.725 1.00 0.00 C ATOM 286 C ASP A 115 70.307 6.416 9.608 1.00 0.00 C ATOM 287 O ASP A 115 69.911 5.643 10.458 1.00 0.00 O ATOM 288 CB ASP A 115 71.567 8.576 9.898 1.00 0.00 C ATOM 289 CG ASP A 115 72.914 9.142 10.352 1.00 0.00 C ATOM 290 OD1 ASP A 115 73.865 8.379 10.415 1.00 0.00 O ATOM 291 OD2 ASP A 115 72.973 10.329 10.627 1.00 0.00 O ATOM 0 H ASP A 115 72.637 7.710 7.931 1.00 0.00 H new ATOM 0 HA ASP A 115 72.168 6.600 10.584 1.00 0.00 H new ATOM 0 HB2 ASP A 115 71.265 9.038 8.958 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.796 8.812 10.631 1.00 0.00 H new ATOM 296 N TYR A 116 69.579 6.696 8.566 1.00 0.00 N ATOM 297 CA TYR A 116 68.251 6.047 8.434 1.00 0.00 C ATOM 298 C TYR A 116 68.413 4.556 8.696 1.00 0.00 C ATOM 299 O TYR A 116 67.540 3.904 9.233 1.00 0.00 O ATOM 300 CB TYR A 116 67.819 6.269 6.991 1.00 0.00 C ATOM 301 CG TYR A 116 66.571 5.462 6.742 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.328 5.986 7.107 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.654 4.193 6.155 1.00 0.00 C ATOM 304 CE1 TYR A 116 64.163 5.243 6.884 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.490 3.450 5.931 1.00 0.00 C ATOM 306 CZ TYR A 116 64.243 3.975 6.295 1.00 0.00 C ATOM 307 OH TYR A 116 63.095 3.243 6.072 1.00 0.00 O ATOM 0 H TYR A 116 69.840 7.334 7.814 1.00 0.00 H new ATOM 0 HA TYR A 116 67.520 6.451 9.134 1.00 0.00 H new ATOM 0 HB2 TYR A 116 67.630 7.327 6.810 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.611 5.965 6.306 1.00 0.00 H new ATOM 0 HD1 TYR A 116 65.266 6.964 7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.616 3.789 5.876 1.00 0.00 H new ATOM 0 HE1 TYR A 116 63.202 5.648 7.166 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.553 2.472 5.478 1.00 0.00 H new ATOM 0 HH TYR A 116 63.288 2.289 6.185 1.00 0.00 H new ATOM 317 N PHE A 117 69.535 4.011 8.308 1.00 0.00 N ATOM 318 CA PHE A 117 69.764 2.561 8.520 1.00 0.00 C ATOM 319 C PHE A 117 70.450 2.296 9.860 1.00 0.00 C ATOM 320 O PHE A 117 70.590 1.166 10.284 1.00 0.00 O ATOM 321 CB PHE A 117 70.628 2.113 7.343 1.00 0.00 C ATOM 322 CG PHE A 117 69.719 1.807 6.179 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.718 0.840 6.318 1.00 0.00 C ATOM 324 CD2 PHE A 117 69.862 2.500 4.971 1.00 0.00 C ATOM 325 CE1 PHE A 117 67.859 0.563 5.251 1.00 0.00 C ATOM 326 CE2 PHE A 117 69.004 2.221 3.900 1.00 0.00 C ATOM 327 CZ PHE A 117 68.003 1.252 4.042 1.00 0.00 C ATOM 0 H PHE A 117 70.300 4.511 7.854 1.00 0.00 H new ATOM 0 HA PHE A 117 68.827 2.005 8.560 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.339 2.894 7.075 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.210 1.232 7.613 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.609 0.307 7.251 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.633 3.249 4.865 1.00 0.00 H new ATOM 0 HE1 PHE A 117 67.085 -0.182 5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.114 2.752 2.966 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.341 1.036 3.217 1.00 0.00 H new ATOM 337 N SER A 118 70.862 3.321 10.542 1.00 0.00 N ATOM 338 CA SER A 118 71.509 3.105 11.863 1.00 0.00 C ATOM 339 C SER A 118 70.452 2.651 12.874 1.00 0.00 C ATOM 340 O SER A 118 70.760 2.282 13.990 1.00 0.00 O ATOM 341 CB SER A 118 72.084 4.464 12.254 1.00 0.00 C ATOM 342 OG SER A 118 73.184 4.273 13.135 1.00 0.00 O ATOM 0 H SER A 118 70.781 4.294 10.247 1.00 0.00 H new ATOM 0 HA SER A 118 72.284 2.340 11.834 1.00 0.00 H new ATOM 0 HB2 SER A 118 72.406 5.005 11.364 1.00 0.00 H new ATOM 0 HB3 SER A 118 71.318 5.071 12.737 1.00 0.00 H new ATOM 0 HG SER A 118 73.556 5.144 13.387 1.00 0.00 H new ATOM 348 N LYS A 119 69.201 2.673 12.487 1.00 0.00 N ATOM 349 CA LYS A 119 68.118 2.241 13.417 1.00 0.00 C ATOM 350 C LYS A 119 67.978 0.717 13.397 1.00 0.00 C ATOM 351 O LYS A 119 67.353 0.131 14.258 1.00 0.00 O ATOM 352 CB LYS A 119 66.843 2.897 12.887 1.00 0.00 C ATOM 353 CG LYS A 119 65.671 2.531 13.800 1.00 0.00 C ATOM 354 CD LYS A 119 64.462 3.404 13.458 1.00 0.00 C ATOM 355 CE LYS A 119 64.695 4.822 13.982 1.00 0.00 C ATOM 356 NZ LYS A 119 63.332 5.357 14.256 1.00 0.00 N ATOM 0 H LYS A 119 68.884 2.972 11.565 1.00 0.00 H new ATOM 0 HA LYS A 119 68.327 2.531 14.447 1.00 0.00 H new ATOM 0 HB2 LYS A 119 66.966 3.979 12.849 1.00 0.00 H new ATOM 0 HB3 LYS A 119 66.644 2.563 11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 119 65.418 1.478 13.679 1.00 0.00 H new ATOM 0 HG3 LYS A 119 65.952 2.673 14.844 1.00 0.00 H new ATOM 0 HD2 LYS A 119 64.307 3.424 12.379 1.00 0.00 H new ATOM 0 HD3 LYS A 119 63.559 2.984 13.902 1.00 0.00 H new ATOM 0 HE2 LYS A 119 65.306 4.814 14.885 1.00 0.00 H new ATOM 0 HE3 LYS A 119 65.219 5.434 13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 63.407 6.329 14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 62.776 5.358 13.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 62.860 4.758 14.963 1.00 0.00 H new ATOM 370 N PHE A 120 68.560 0.066 12.425 1.00 0.00 N ATOM 371 CA PHE A 120 68.460 -1.420 12.367 1.00 0.00 C ATOM 372 C PHE A 120 69.608 -2.034 13.165 1.00 0.00 C ATOM 373 O PHE A 120 69.407 -2.809 14.079 1.00 0.00 O ATOM 374 CB PHE A 120 68.601 -1.784 10.886 1.00 0.00 C ATOM 375 CG PHE A 120 67.523 -1.110 10.069 1.00 0.00 C ATOM 376 CD1 PHE A 120 66.265 -1.709 9.933 1.00 0.00 C ATOM 377 CD2 PHE A 120 67.788 0.107 9.433 1.00 0.00 C ATOM 378 CE1 PHE A 120 65.276 -1.090 9.157 1.00 0.00 C ATOM 379 CE2 PHE A 120 66.800 0.728 8.662 1.00 0.00 C ATOM 380 CZ PHE A 120 65.544 0.129 8.523 1.00 0.00 C ATOM 0 H PHE A 120 69.097 0.497 11.673 1.00 0.00 H new ATOM 0 HA PHE A 120 67.523 -1.788 12.784 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.583 -1.481 10.523 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.536 -2.865 10.764 1.00 0.00 H new ATOM 0 HD1 PHE A 120 66.057 -2.647 10.426 1.00 0.00 H new ATOM 0 HD2 PHE A 120 68.759 0.569 9.538 1.00 0.00 H new ATOM 0 HE1 PHE A 120 64.307 -1.554 9.048 1.00 0.00 H new ATOM 0 HE2 PHE A 120 67.007 1.669 8.174 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.781 0.607 7.927 1.00 0.00 H new ATOM 390 N GLY A 121 70.812 -1.680 12.823 1.00 0.00 N ATOM 391 CA GLY A 121 71.993 -2.223 13.548 1.00 0.00 C ATOM 392 C GLY A 121 73.203 -1.332 13.262 1.00 0.00 C ATOM 393 O GLY A 121 73.065 -0.209 12.820 1.00 0.00 O ATOM 0 H GLY A 121 71.032 -1.032 12.066 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.795 -2.257 14.619 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.194 -3.246 13.229 1.00 0.00 H new ATOM 397 N GLU A 122 74.386 -1.820 13.506 1.00 0.00 N ATOM 398 CA GLU A 122 75.596 -0.991 13.239 1.00 0.00 C ATOM 399 C GLU A 122 75.982 -1.086 11.760 1.00 0.00 C ATOM 400 O GLU A 122 75.737 -2.079 11.107 1.00 0.00 O ATOM 401 CB GLU A 122 76.692 -1.588 14.121 1.00 0.00 C ATOM 402 CG GLU A 122 77.819 -0.566 14.295 1.00 0.00 C ATOM 403 CD GLU A 122 78.207 -0.479 15.773 1.00 0.00 C ATOM 404 OE1 GLU A 122 77.673 -1.251 16.550 1.00 0.00 O ATOM 405 OE2 GLU A 122 79.030 0.359 16.101 1.00 0.00 O ATOM 0 H GLU A 122 74.569 -2.752 13.877 1.00 0.00 H new ATOM 0 HA GLU A 122 75.431 0.064 13.458 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.282 -1.863 15.093 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.081 -2.501 13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 122 78.683 -0.857 13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 122 77.497 0.411 13.935 1.00 0.00 H new ATOM 412 N VAL A 123 76.588 -0.059 11.232 1.00 0.00 N ATOM 413 CA VAL A 123 77.002 -0.081 9.798 1.00 0.00 C ATOM 414 C VAL A 123 78.467 0.304 9.661 1.00 0.00 C ATOM 415 O VAL A 123 78.910 1.317 10.165 1.00 0.00 O ATOM 416 CB VAL A 123 76.089 0.936 9.092 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.831 1.619 7.935 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.895 0.194 8.511 1.00 0.00 C ATOM 0 H VAL A 123 76.816 0.799 11.733 1.00 0.00 H new ATOM 0 HA VAL A 123 76.903 -1.073 9.358 1.00 0.00 H new ATOM 0 HB VAL A 123 75.777 1.689 9.816 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.167 2.334 7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.706 2.141 8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 123 77.147 0.868 7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.237 0.902 8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 123 75.243 -0.551 7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.348 -0.301 9.314 1.00 0.00 H new ATOM 428 N VAL A 124 79.209 -0.485 8.949 1.00 0.00 N ATOM 429 CA VAL A 124 80.636 -0.160 8.734 1.00 0.00 C ATOM 430 C VAL A 124 80.739 0.708 7.492 1.00 0.00 C ATOM 431 O VAL A 124 81.682 1.454 7.317 1.00 0.00 O ATOM 432 CB VAL A 124 81.329 -1.510 8.507 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.533 -1.334 7.569 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.811 -2.059 9.851 1.00 0.00 C ATOM 0 H VAL A 124 78.887 -1.345 8.505 1.00 0.00 H new ATOM 0 HA VAL A 124 81.089 0.377 9.568 1.00 0.00 H new ATOM 0 HB VAL A 124 80.622 -2.204 8.053 1.00 0.00 H new ATOM 0 HG11 VAL A 124 83.018 -2.298 7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 124 82.193 -0.941 6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 124 83.243 -0.638 8.015 1.00 0.00 H new ATOM 0 HG21 VAL A 124 82.304 -3.019 9.696 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.514 -1.357 10.299 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.958 -2.193 10.516 1.00 0.00 H new ATOM 444 N ASP A 125 79.784 0.606 6.611 1.00 0.00 N ATOM 445 CA ASP A 125 79.868 1.422 5.381 1.00 0.00 C ATOM 446 C ASP A 125 78.487 1.767 4.815 1.00 0.00 C ATOM 447 O ASP A 125 77.470 1.267 5.250 1.00 0.00 O ATOM 448 CB ASP A 125 80.657 0.563 4.392 1.00 0.00 C ATOM 449 CG ASP A 125 82.144 0.919 4.480 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.443 2.076 4.721 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.957 0.026 4.304 1.00 0.00 O ATOM 0 H ASP A 125 78.965 0.003 6.691 1.00 0.00 H new ATOM 0 HA ASP A 125 80.346 2.381 5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.511 -0.494 4.615 1.00 0.00 H new ATOM 0 HB3 ASP A 125 80.292 0.728 3.378 1.00 0.00 H new ATOM 456 N CYS A 126 78.470 2.629 3.835 1.00 0.00 N ATOM 457 CA CYS A 126 77.195 3.051 3.188 1.00 0.00 C ATOM 458 C CYS A 126 77.532 3.865 1.942 1.00 0.00 C ATOM 459 O CYS A 126 78.604 4.428 1.835 1.00 0.00 O ATOM 460 CB CYS A 126 76.481 3.913 4.230 1.00 0.00 C ATOM 461 SG CYS A 126 74.739 4.092 3.770 1.00 0.00 S ATOM 0 H CYS A 126 79.305 3.068 3.447 1.00 0.00 H new ATOM 0 HA CYS A 126 76.568 2.214 2.881 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.563 3.455 5.215 1.00 0.00 H new ATOM 0 HB3 CYS A 126 76.954 4.893 4.294 1.00 0.00 H new ATOM 0 HG CYS A 126 74.505 3.416 2.685 1.00 0.00 H new ATOM 467 N THR A 127 76.651 3.922 0.989 1.00 0.00 N ATOM 468 CA THR A 127 76.967 4.687 -0.245 1.00 0.00 C ATOM 469 C THR A 127 75.691 5.251 -0.882 1.00 0.00 C ATOM 470 O THR A 127 74.618 4.695 -0.757 1.00 0.00 O ATOM 471 CB THR A 127 77.660 3.653 -1.150 1.00 0.00 C ATOM 472 OG1 THR A 127 79.062 3.877 -1.123 1.00 0.00 O ATOM 473 CG2 THR A 127 77.161 3.764 -2.590 1.00 0.00 C ATOM 0 H THR A 127 75.733 3.477 1.009 1.00 0.00 H new ATOM 0 HA THR A 127 77.598 5.557 -0.061 1.00 0.00 H new ATOM 0 HB THR A 127 77.427 2.655 -0.779 1.00 0.00 H new ATOM 0 HG1 THR A 127 79.338 4.113 -0.213 1.00 0.00 H new ATOM 0 HG21 THR A 127 77.667 3.022 -3.208 1.00 0.00 H new ATOM 0 HG22 THR A 127 76.086 3.587 -2.617 1.00 0.00 H new ATOM 0 HG23 THR A 127 77.374 4.762 -2.973 1.00 0.00 H new ATOM 481 N LEU A 128 75.814 6.349 -1.577 1.00 0.00 N ATOM 482 CA LEU A 128 74.628 6.954 -2.242 1.00 0.00 C ATOM 483 C LEU A 128 74.944 7.224 -3.714 1.00 0.00 C ATOM 484 O LEU A 128 75.589 8.195 -4.057 1.00 0.00 O ATOM 485 CB LEU A 128 74.364 8.265 -1.490 1.00 0.00 C ATOM 486 CG LEU A 128 73.259 9.076 -2.186 1.00 0.00 C ATOM 487 CD1 LEU A 128 73.859 9.904 -3.323 1.00 0.00 C ATOM 488 CD2 LEU A 128 72.187 8.139 -2.754 1.00 0.00 C ATOM 0 H LEU A 128 76.690 6.854 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 128 73.757 6.300 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 128 74.071 8.048 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.280 8.854 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 128 72.802 9.739 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 128 73.070 10.476 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 128 74.607 10.587 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 128 74.328 9.240 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 128 71.411 8.728 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 128 72.641 7.463 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 128 71.745 7.559 -1.944 1.00 0.00 H new ATOM 673 N PHE A 140 70.362 4.995 -7.048 1.00 0.00 N ATOM 674 CA PHE A 140 70.306 4.119 -5.842 1.00 0.00 C ATOM 675 C PHE A 140 71.601 4.221 -5.037 1.00 0.00 C ATOM 676 O PHE A 140 72.497 4.964 -5.377 1.00 0.00 O ATOM 677 CB PHE A 140 70.120 2.699 -6.377 1.00 0.00 C ATOM 678 CG PHE A 140 71.170 2.390 -7.421 1.00 0.00 C ATOM 679 CD1 PHE A 140 72.404 1.853 -7.035 1.00 0.00 C ATOM 680 CD2 PHE A 140 70.901 2.625 -8.775 1.00 0.00 C ATOM 681 CE1 PHE A 140 73.369 1.552 -8.003 1.00 0.00 C ATOM 682 CE2 PHE A 140 71.866 2.321 -9.744 1.00 0.00 C ATOM 683 CZ PHE A 140 73.100 1.786 -9.357 1.00 0.00 C ATOM 0 HA PHE A 140 69.497 4.410 -5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 140 70.189 1.983 -5.558 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.125 2.593 -6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 140 72.611 1.671 -5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 140 69.950 3.041 -9.072 1.00 0.00 H new ATOM 0 HE1 PHE A 140 74.322 1.139 -7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 140 71.658 2.499 -10.789 1.00 0.00 H new ATOM 0 HZ PHE A 140 73.845 1.553 -10.103 1.00 0.00 H new ATOM 693 N GLY A 141 71.701 3.477 -3.972 1.00 0.00 N ATOM 694 CA GLY A 141 72.934 3.521 -3.137 1.00 0.00 C ATOM 695 C GLY A 141 73.135 2.159 -2.472 1.00 0.00 C ATOM 696 O GLY A 141 72.452 1.203 -2.782 1.00 0.00 O ATOM 0 H GLY A 141 70.979 2.837 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 141 73.798 3.770 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 141 72.848 4.300 -2.380 1.00 0.00 H new ATOM 700 N PHE A 142 74.063 2.058 -1.563 1.00 0.00 N ATOM 701 CA PHE A 142 74.294 0.748 -0.889 1.00 0.00 C ATOM 702 C PHE A 142 74.356 0.924 0.629 1.00 0.00 C ATOM 703 O PHE A 142 74.403 2.026 1.140 1.00 0.00 O ATOM 704 CB PHE A 142 75.649 0.264 -1.406 1.00 0.00 C ATOM 705 CG PHE A 142 75.493 -0.351 -2.772 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.158 0.450 -3.869 1.00 0.00 C ATOM 707 CD2 PHE A 142 75.691 -1.725 -2.939 1.00 0.00 C ATOM 708 CE1 PHE A 142 75.021 -0.125 -5.139 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.555 -2.300 -4.208 1.00 0.00 C ATOM 710 CZ PHE A 142 75.220 -1.500 -5.307 1.00 0.00 C ATOM 0 H PHE A 142 74.669 2.820 -1.258 1.00 0.00 H new ATOM 0 HA PHE A 142 73.490 0.043 -1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.348 1.099 -1.452 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.070 -0.467 -0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 142 75.005 1.511 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 142 75.948 -2.342 -2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 142 74.762 0.492 -5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 142 75.709 -3.361 -4.339 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.115 -1.945 -6.286 1.00 0.00 H new ATOM 720 N VAL A 143 74.380 -0.163 1.346 1.00 0.00 N ATOM 721 CA VAL A 143 74.465 -0.085 2.831 1.00 0.00 C ATOM 722 C VAL A 143 75.251 -1.282 3.344 1.00 0.00 C ATOM 723 O VAL A 143 74.990 -2.413 2.988 1.00 0.00 O ATOM 724 CB VAL A 143 73.021 -0.117 3.333 1.00 0.00 C ATOM 725 CG1 VAL A 143 73.011 -0.415 4.834 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.370 1.244 3.082 1.00 0.00 C ATOM 0 H VAL A 143 74.344 -1.109 0.965 1.00 0.00 H new ATOM 0 HA VAL A 143 74.972 0.815 3.178 1.00 0.00 H new ATOM 0 HB VAL A 143 72.467 -0.892 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 143 71.982 -0.438 5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.481 -1.381 5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.563 0.362 5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.340 1.226 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 143 72.925 2.016 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.381 1.461 2.014 1.00 0.00 H new ATOM 736 N LEU A 144 76.230 -1.035 4.157 1.00 0.00 N ATOM 737 CA LEU A 144 77.062 -2.144 4.678 1.00 0.00 C ATOM 738 C LEU A 144 76.868 -2.272 6.188 1.00 0.00 C ATOM 739 O LEU A 144 77.414 -1.512 6.963 1.00 0.00 O ATOM 740 CB LEU A 144 78.485 -1.714 4.334 1.00 0.00 C ATOM 741 CG LEU A 144 78.875 -2.278 2.964 1.00 0.00 C ATOM 742 CD1 LEU A 144 79.066 -3.789 3.074 1.00 0.00 C ATOM 743 CD2 LEU A 144 77.768 -1.977 1.948 1.00 0.00 C ATOM 0 H LEU A 144 76.492 -0.106 4.486 1.00 0.00 H new ATOM 0 HA LEU A 144 76.811 -3.117 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.555 -0.626 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 144 79.178 -2.071 5.096 1.00 0.00 H new ATOM 0 HG LEU A 144 79.804 -1.814 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 144 79.344 -4.193 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 144 79.855 -4.005 3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 144 78.136 -4.250 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 144 78.048 -2.379 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 144 76.837 -2.439 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 144 77.630 -0.899 1.869 1.00 0.00 H new ATOM 755 N PHE A 145 76.085 -3.224 6.608 1.00 0.00 N ATOM 756 CA PHE A 145 75.842 -3.398 8.067 1.00 0.00 C ATOM 757 C PHE A 145 77.021 -4.103 8.732 1.00 0.00 C ATOM 758 O PHE A 145 77.913 -4.602 8.076 1.00 0.00 O ATOM 759 CB PHE A 145 74.589 -4.263 8.158 1.00 0.00 C ATOM 760 CG PHE A 145 73.370 -3.377 8.215 1.00 0.00 C ATOM 761 CD1 PHE A 145 73.185 -2.513 9.303 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.425 -3.417 7.185 1.00 0.00 C ATOM 763 CE1 PHE A 145 72.055 -1.690 9.358 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.295 -2.593 7.241 1.00 0.00 C ATOM 765 CZ PHE A 145 71.110 -1.729 8.327 1.00 0.00 C ATOM 0 H PHE A 145 75.602 -3.890 6.005 1.00 0.00 H new ATOM 0 HA PHE A 145 75.722 -2.441 8.575 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.529 -4.927 7.296 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.634 -4.895 9.045 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.915 -2.483 10.099 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.567 -4.083 6.347 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.912 -1.024 10.196 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.565 -2.624 6.446 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.238 -1.093 8.369 1.00 0.00 H new ATOM 775 N LYS A 146 77.027 -4.142 10.033 1.00 0.00 N ATOM 776 CA LYS A 146 78.144 -4.811 10.757 1.00 0.00 C ATOM 777 C LYS A 146 77.828 -6.294 10.982 1.00 0.00 C ATOM 778 O LYS A 146 78.719 -7.110 11.108 1.00 0.00 O ATOM 779 CB LYS A 146 78.247 -4.075 12.093 1.00 0.00 C ATOM 780 CG LYS A 146 79.649 -4.261 12.674 1.00 0.00 C ATOM 781 CD LYS A 146 79.636 -5.417 13.677 1.00 0.00 C ATOM 782 CE LYS A 146 80.458 -6.583 13.120 1.00 0.00 C ATOM 783 NZ LYS A 146 79.733 -7.813 13.549 1.00 0.00 N ATOM 0 H LYS A 146 76.305 -3.738 10.630 1.00 0.00 H new ATOM 0 HA LYS A 146 79.077 -4.772 10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 146 78.038 -3.014 11.953 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.500 -4.457 12.789 1.00 0.00 H new ATOM 0 HG2 LYS A 146 80.361 -4.467 11.875 1.00 0.00 H new ATOM 0 HG3 LYS A 146 79.976 -3.344 13.164 1.00 0.00 H new ATOM 0 HD2 LYS A 146 80.049 -5.090 14.631 1.00 0.00 H new ATOM 0 HD3 LYS A 146 78.611 -5.737 13.866 1.00 0.00 H new ATOM 0 HE2 LYS A 146 80.533 -6.529 12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 146 81.476 -6.569 13.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 80.405 -8.603 13.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 79.285 -7.648 14.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 79.002 -8.048 12.847 1.00 0.00 H new ATOM 797 N GLU A 147 76.572 -6.658 11.046 1.00 0.00 N ATOM 798 CA GLU A 147 76.240 -8.095 11.276 1.00 0.00 C ATOM 799 C GLU A 147 74.999 -8.511 10.479 1.00 0.00 C ATOM 800 O GLU A 147 74.216 -7.690 10.040 1.00 0.00 O ATOM 801 CB GLU A 147 75.974 -8.197 12.777 1.00 0.00 C ATOM 802 CG GLU A 147 75.078 -7.040 13.220 1.00 0.00 C ATOM 803 CD GLU A 147 74.146 -7.515 14.336 1.00 0.00 C ATOM 804 OE1 GLU A 147 74.650 -8.013 15.329 1.00 0.00 O ATOM 805 OE2 GLU A 147 72.945 -7.372 14.179 1.00 0.00 O ATOM 0 H GLU A 147 75.773 -6.032 10.950 1.00 0.00 H new ATOM 0 HA GLU A 147 77.044 -8.755 10.950 1.00 0.00 H new ATOM 0 HB2 GLU A 147 75.496 -9.149 13.008 1.00 0.00 H new ATOM 0 HB3 GLU A 147 76.915 -8.172 13.326 1.00 0.00 H new ATOM 0 HG2 GLU A 147 75.688 -6.207 13.571 1.00 0.00 H new ATOM 0 HG3 GLU A 147 74.494 -6.674 12.375 1.00 0.00 H new ATOM 812 N SER A 148 74.817 -9.791 10.297 1.00 0.00 N ATOM 813 CA SER A 148 73.633 -10.279 9.537 1.00 0.00 C ATOM 814 C SER A 148 72.345 -9.924 10.285 1.00 0.00 C ATOM 815 O SER A 148 71.315 -9.685 9.687 1.00 0.00 O ATOM 816 CB SER A 148 73.811 -11.794 9.465 1.00 0.00 C ATOM 817 OG SER A 148 75.097 -12.090 8.935 1.00 0.00 O ATOM 0 H SER A 148 75.440 -10.521 10.643 1.00 0.00 H new ATOM 0 HA SER A 148 73.560 -9.829 8.547 1.00 0.00 H new ATOM 0 HB2 SER A 148 73.704 -12.232 10.457 1.00 0.00 H new ATOM 0 HB3 SER A 148 73.036 -12.234 8.837 1.00 0.00 H new ATOM 0 HG SER A 148 75.216 -13.062 8.889 1.00 0.00 H new ATOM 823 N GLU A 149 72.397 -9.887 11.587 1.00 0.00 N ATOM 824 CA GLU A 149 71.176 -9.543 12.371 1.00 0.00 C ATOM 825 C GLU A 149 70.689 -8.142 11.994 1.00 0.00 C ATOM 826 O GLU A 149 69.506 -7.888 11.901 1.00 0.00 O ATOM 827 CB GLU A 149 71.620 -9.583 13.833 1.00 0.00 C ATOM 828 CG GLU A 149 71.114 -10.871 14.483 1.00 0.00 C ATOM 829 CD GLU A 149 70.353 -10.531 15.765 1.00 0.00 C ATOM 830 OE1 GLU A 149 70.779 -9.621 16.457 1.00 0.00 O ATOM 831 OE2 GLU A 149 69.360 -11.186 16.033 1.00 0.00 O ATOM 0 H GLU A 149 73.230 -10.080 12.143 1.00 0.00 H new ATOM 0 HA GLU A 149 70.351 -10.229 12.179 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.707 -9.534 13.896 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.230 -8.716 14.367 1.00 0.00 H new ATOM 0 HG2 GLU A 149 70.463 -11.408 13.793 1.00 0.00 H new ATOM 0 HG3 GLU A 149 71.952 -11.530 14.709 1.00 0.00 H new ATOM 838 N SER A 150 71.594 -7.230 11.780 1.00 0.00 N ATOM 839 CA SER A 150 71.179 -5.846 11.412 1.00 0.00 C ATOM 840 C SER A 150 70.618 -5.816 9.983 1.00 0.00 C ATOM 841 O SER A 150 69.681 -5.097 9.692 1.00 0.00 O ATOM 842 CB SER A 150 72.451 -4.997 11.522 1.00 0.00 C ATOM 843 OG SER A 150 73.517 -5.609 10.799 1.00 0.00 O ATOM 0 H SER A 150 72.601 -7.381 11.843 1.00 0.00 H new ATOM 0 HA SER A 150 70.390 -5.469 12.062 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.264 -3.997 11.131 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.731 -4.883 12.569 1.00 0.00 H new ATOM 0 HG SER A 150 73.217 -6.471 10.441 1.00 0.00 H new ATOM 849 N VAL A 151 71.176 -6.589 9.089 1.00 0.00 N ATOM 850 CA VAL A 151 70.661 -6.586 7.687 1.00 0.00 C ATOM 851 C VAL A 151 69.347 -7.369 7.588 1.00 0.00 C ATOM 852 O VAL A 151 68.401 -6.929 6.967 1.00 0.00 O ATOM 853 CB VAL A 151 71.748 -7.264 6.851 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.515 -6.948 5.372 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.124 -6.741 7.268 1.00 0.00 C ATOM 0 H VAL A 151 71.960 -7.218 9.266 1.00 0.00 H new ATOM 0 HA VAL A 151 70.451 -5.574 7.340 1.00 0.00 H new ATOM 0 HB VAL A 151 71.708 -8.341 7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.287 -7.429 4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.536 -7.320 5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 151 71.556 -5.869 5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 151 73.895 -7.227 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.167 -5.663 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.292 -6.959 8.323 1.00 0.00 H new ATOM 865 N ASP A 152 69.282 -8.527 8.186 1.00 0.00 N ATOM 866 CA ASP A 152 68.028 -9.331 8.110 1.00 0.00 C ATOM 867 C ASP A 152 66.867 -8.560 8.751 1.00 0.00 C ATOM 868 O ASP A 152 65.735 -8.656 8.321 1.00 0.00 O ATOM 869 CB ASP A 152 68.340 -10.635 8.867 1.00 0.00 C ATOM 870 CG ASP A 152 67.872 -10.548 10.325 1.00 0.00 C ATOM 871 OD1 ASP A 152 68.231 -9.590 10.986 1.00 0.00 O ATOM 872 OD2 ASP A 152 67.162 -11.444 10.753 1.00 0.00 O ATOM 0 H ASP A 152 70.039 -8.950 8.722 1.00 0.00 H new ATOM 0 HA ASP A 152 67.722 -9.539 7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.849 -11.473 8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.412 -10.830 8.836 1.00 0.00 H new ATOM 877 N LYS A 153 67.140 -7.796 9.773 1.00 0.00 N ATOM 878 CA LYS A 153 66.050 -7.021 10.432 1.00 0.00 C ATOM 879 C LYS A 153 65.579 -5.892 9.512 1.00 0.00 C ATOM 880 O LYS A 153 64.400 -5.636 9.386 1.00 0.00 O ATOM 881 CB LYS A 153 66.672 -6.449 11.708 1.00 0.00 C ATOM 882 CG LYS A 153 65.701 -5.452 12.345 1.00 0.00 C ATOM 883 CD LYS A 153 65.571 -5.744 13.841 1.00 0.00 C ATOM 884 CE LYS A 153 64.635 -4.715 14.483 1.00 0.00 C ATOM 885 NZ LYS A 153 63.877 -5.477 15.515 1.00 0.00 N ATOM 0 H LYS A 153 68.068 -7.675 10.179 1.00 0.00 H new ATOM 0 HA LYS A 153 65.181 -7.641 10.651 1.00 0.00 H new ATOM 0 HB2 LYS A 153 66.896 -7.253 12.409 1.00 0.00 H new ATOM 0 HB3 LYS A 153 67.616 -5.956 11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 153 66.058 -4.434 12.193 1.00 0.00 H new ATOM 0 HG3 LYS A 153 64.725 -5.522 11.865 1.00 0.00 H new ATOM 0 HD2 LYS A 153 65.181 -6.751 13.993 1.00 0.00 H new ATOM 0 HD3 LYS A 153 66.551 -5.706 14.316 1.00 0.00 H new ATOM 0 HE2 LYS A 153 65.197 -3.895 14.931 1.00 0.00 H new ATOM 0 HE3 LYS A 153 63.964 -4.276 13.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 63.213 -4.839 16.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 63.347 -6.247 15.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 64.541 -5.878 16.208 1.00 0.00 H new ATOM 899 N VAL A 154 66.490 -5.212 8.870 1.00 0.00 N ATOM 900 CA VAL A 154 66.081 -4.100 7.961 1.00 0.00 C ATOM 901 C VAL A 154 65.447 -4.658 6.685 1.00 0.00 C ATOM 902 O VAL A 154 64.632 -4.014 6.053 1.00 0.00 O ATOM 903 CB VAL A 154 67.379 -3.366 7.632 1.00 0.00 C ATOM 904 CG1 VAL A 154 68.368 -4.350 7.007 1.00 0.00 C ATOM 905 CG2 VAL A 154 67.090 -2.233 6.641 1.00 0.00 C ATOM 0 H VAL A 154 67.495 -5.376 8.934 1.00 0.00 H new ATOM 0 HA VAL A 154 65.341 -3.445 8.420 1.00 0.00 H new ATOM 0 HB VAL A 154 67.804 -2.948 8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 154 69.297 -3.831 6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 154 68.572 -5.157 7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 154 67.941 -4.765 6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 154 68.017 -1.709 6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 154 66.667 -2.649 5.727 1.00 0.00 H new ATOM 0 HG23 VAL A 154 66.381 -1.534 7.084 1.00 0.00 H new ATOM 915 N MET A 155 65.816 -5.848 6.297 1.00 0.00 N ATOM 916 CA MET A 155 65.234 -6.437 5.058 1.00 0.00 C ATOM 917 C MET A 155 63.850 -7.022 5.348 1.00 0.00 C ATOM 918 O MET A 155 62.963 -6.973 4.521 1.00 0.00 O ATOM 919 CB MET A 155 66.210 -7.536 4.639 1.00 0.00 C ATOM 920 CG MET A 155 66.907 -7.127 3.340 1.00 0.00 C ATOM 921 SD MET A 155 67.518 -8.603 2.488 1.00 0.00 S ATOM 922 CE MET A 155 66.355 -8.565 1.102 1.00 0.00 C ATOM 0 H MET A 155 66.493 -6.436 6.783 1.00 0.00 H new ATOM 0 HA MET A 155 65.103 -5.694 4.272 1.00 0.00 H new ATOM 0 HB2 MET A 155 66.948 -7.701 5.424 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.678 -8.477 4.499 1.00 0.00 H new ATOM 0 HG2 MET A 155 66.213 -6.585 2.698 1.00 0.00 H new ATOM 0 HG3 MET A 155 67.734 -6.451 3.557 1.00 0.00 H new ATOM 0 HE1 MET A 155 65.641 -9.382 1.204 1.00 0.00 H new ATOM 0 HE2 MET A 155 65.821 -7.615 1.101 1.00 0.00 H new ATOM 0 HE3 MET A 155 66.902 -8.675 0.165 1.00 0.00 H new ATOM 932 N ASP A 156 63.653 -7.571 6.516 1.00 0.00 N ATOM 933 CA ASP A 156 62.318 -8.147 6.839 1.00 0.00 C ATOM 934 C ASP A 156 61.223 -7.165 6.406 1.00 0.00 C ATOM 935 O ASP A 156 60.222 -7.545 5.834 1.00 0.00 O ATOM 936 CB ASP A 156 62.331 -8.370 8.364 1.00 0.00 C ATOM 937 CG ASP A 156 61.601 -7.235 9.094 1.00 0.00 C ATOM 938 OD1 ASP A 156 62.150 -6.149 9.156 1.00 0.00 O ATOM 939 OD2 ASP A 156 60.507 -7.474 9.575 1.00 0.00 O ATOM 0 H ASP A 156 64.353 -7.645 7.254 1.00 0.00 H new ATOM 0 HA ASP A 156 62.116 -9.083 6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.856 -9.323 8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.360 -8.431 8.717 1.00 0.00 H new ATOM 944 N GLN A 157 61.420 -5.900 6.665 1.00 0.00 N ATOM 945 CA GLN A 157 60.404 -4.888 6.259 1.00 0.00 C ATOM 946 C GLN A 157 61.029 -3.898 5.274 1.00 0.00 C ATOM 947 O GLN A 157 61.539 -2.864 5.658 1.00 0.00 O ATOM 948 CB GLN A 157 60.001 -4.180 7.555 1.00 0.00 C ATOM 949 CG GLN A 157 61.250 -3.640 8.254 1.00 0.00 C ATOM 950 CD GLN A 157 61.055 -2.158 8.584 1.00 0.00 C ATOM 951 OE1 GLN A 157 61.186 -1.755 9.723 1.00 0.00 O ATOM 952 NE2 GLN A 157 60.743 -1.325 7.629 1.00 0.00 N ATOM 0 H GLN A 157 62.241 -5.524 7.140 1.00 0.00 H new ATOM 0 HA GLN A 157 59.543 -5.336 5.764 1.00 0.00 H new ATOM 0 HB2 GLN A 157 59.313 -3.364 7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 157 59.475 -4.873 8.212 1.00 0.00 H new ATOM 0 HG2 GLN A 157 61.440 -4.204 9.167 1.00 0.00 H new ATOM 0 HG3 GLN A 157 62.122 -3.768 7.613 1.00 0.00 H new ATOM 0 HE21 GLN A 157 60.633 -1.663 6.673 1.00 0.00 H new ATOM 0 HE22 GLN A 157 60.609 -0.336 7.839 1.00 0.00 H new ATOM 961 N LYS A 158 61.003 -4.211 4.007 1.00 0.00 N ATOM 962 CA LYS A 158 61.607 -3.288 3.004 1.00 0.00 C ATOM 963 C LYS A 158 60.601 -2.228 2.580 1.00 0.00 C ATOM 964 O LYS A 158 60.784 -1.541 1.594 1.00 0.00 O ATOM 965 CB LYS A 158 62.007 -4.175 1.824 1.00 0.00 C ATOM 966 CG LYS A 158 60.756 -4.796 1.200 1.00 0.00 C ATOM 967 CD LYS A 158 61.105 -5.383 -0.169 1.00 0.00 C ATOM 968 CE LYS A 158 60.528 -6.796 -0.282 1.00 0.00 C ATOM 969 NZ LYS A 158 60.160 -6.947 -1.717 1.00 0.00 N ATOM 0 H LYS A 158 60.592 -5.062 3.624 1.00 0.00 H new ATOM 0 HA LYS A 158 62.466 -2.752 3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 158 62.543 -3.587 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.686 -4.959 2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 158 60.361 -5.575 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 158 59.976 -4.042 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 158 60.703 -4.751 -0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 158 62.187 -5.409 -0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 158 61.259 -7.546 0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 158 59.659 -6.920 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 59.756 -7.892 -1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 59.458 -6.224 -1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 61.008 -6.830 -2.307 1.00 0.00 H new ATOM 983 N GLU A 159 59.569 -2.048 3.345 1.00 0.00 N ATOM 984 CA GLU A 159 58.595 -0.984 3.011 1.00 0.00 C ATOM 985 C GLU A 159 59.111 0.278 3.666 1.00 0.00 C ATOM 986 O GLU A 159 58.528 0.826 4.579 1.00 0.00 O ATOM 987 CB GLU A 159 57.284 -1.409 3.640 1.00 0.00 C ATOM 988 CG GLU A 159 56.638 -2.511 2.797 1.00 0.00 C ATOM 989 CD GLU A 159 57.196 -3.870 3.220 1.00 0.00 C ATOM 990 OE1 GLU A 159 57.360 -4.077 4.411 1.00 0.00 O ATOM 991 OE2 GLU A 159 57.451 -4.682 2.345 1.00 0.00 O ATOM 0 H GLU A 159 59.358 -2.589 4.184 1.00 0.00 H new ATOM 0 HA GLU A 159 58.462 -0.820 1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 159 57.456 -1.768 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 159 56.612 -0.554 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 159 55.556 -2.494 2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 159 56.836 -2.338 1.739 1.00 0.00 H new ATOM 998 N HIS A 160 60.247 0.698 3.219 1.00 0.00 N ATOM 999 CA HIS A 160 60.900 1.889 3.808 1.00 0.00 C ATOM 1000 C HIS A 160 60.396 3.167 3.141 1.00 0.00 C ATOM 1001 O HIS A 160 59.419 3.164 2.419 1.00 0.00 O ATOM 1002 CB HIS A 160 62.390 1.699 3.515 1.00 0.00 C ATOM 1003 CG HIS A 160 62.943 0.603 4.383 1.00 0.00 C ATOM 1004 ND1 HIS A 160 64.180 0.715 5.028 1.00 0.00 N ATOM 1005 CD2 HIS A 160 62.452 -0.637 4.722 1.00 0.00 C ATOM 1006 CE1 HIS A 160 64.387 -0.429 5.715 1.00 0.00 C ATOM 1007 NE2 HIS A 160 63.366 -1.257 5.548 1.00 0.00 N ATOM 0 H HIS A 160 60.763 0.260 2.456 1.00 0.00 H new ATOM 0 HA HIS A 160 60.690 1.984 4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.535 1.451 2.464 1.00 0.00 H new ATOM 0 HB3 HIS A 160 62.928 2.629 3.700 1.00 0.00 H new ATOM 0 HD2 HIS A 160 61.510 -1.054 4.396 1.00 0.00 H new ATOM 0 HE1 HIS A 160 65.260 -0.639 6.315 1.00 0.00 H new ATOM 0 HE2 HIS A 160 63.273 -2.187 5.957 1.00 0.00 H new ATOM 1015 N LYS A 161 61.059 4.260 3.383 1.00 0.00 N ATOM 1016 CA LYS A 161 60.630 5.547 2.771 1.00 0.00 C ATOM 1017 C LYS A 161 61.562 6.670 3.231 1.00 0.00 C ATOM 1018 O LYS A 161 61.172 7.555 3.966 1.00 0.00 O ATOM 1019 CB LYS A 161 59.210 5.777 3.288 1.00 0.00 C ATOM 1020 CG LYS A 161 58.319 6.260 2.140 1.00 0.00 C ATOM 1021 CD LYS A 161 57.248 7.204 2.690 1.00 0.00 C ATOM 1022 CE LYS A 161 57.902 8.514 3.138 1.00 0.00 C ATOM 1023 NZ LYS A 161 56.894 9.166 4.020 1.00 0.00 N ATOM 0 H LYS A 161 61.883 4.319 3.981 1.00 0.00 H new ATOM 0 HA LYS A 161 60.663 5.527 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 161 58.811 4.854 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 161 59.219 6.515 4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 161 58.920 6.773 1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 161 57.850 5.409 1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 161 56.497 7.403 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 161 56.733 6.737 3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 161 58.833 8.327 3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 161 58.146 9.145 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 57.270 10.071 4.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 56.021 9.337 3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 56.686 8.545 4.828 1.00 0.00 H new ATOM 1037 N LEU A 162 62.795 6.636 2.804 1.00 0.00 N ATOM 1038 CA LEU A 162 63.757 7.697 3.215 1.00 0.00 C ATOM 1039 C LEU A 162 63.902 8.733 2.102 1.00 0.00 C ATOM 1040 O LEU A 162 63.781 8.424 0.932 1.00 0.00 O ATOM 1041 CB LEU A 162 65.084 6.971 3.456 1.00 0.00 C ATOM 1042 CG LEU A 162 65.571 6.333 2.153 1.00 0.00 C ATOM 1043 CD1 LEU A 162 66.656 7.210 1.525 1.00 0.00 C ATOM 1044 CD2 LEU A 162 66.152 4.947 2.451 1.00 0.00 C ATOM 0 H LEU A 162 63.178 5.919 2.188 1.00 0.00 H new ATOM 0 HA LEU A 162 63.425 8.231 4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 162 65.830 7.673 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 162 64.956 6.205 4.221 1.00 0.00 H new ATOM 0 HG LEU A 162 64.733 6.240 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 162 67.001 6.753 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 162 66.248 8.198 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 162 67.493 7.304 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 162 66.499 4.491 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 162 66.988 5.044 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 162 65.382 4.318 2.898 1.00 0.00 H new ATOM 1056 N ASN A 163 64.147 9.964 2.453 1.00 0.00 N ATOM 1057 CA ASN A 163 64.284 11.015 1.408 1.00 0.00 C ATOM 1058 C ASN A 163 62.954 11.180 0.672 1.00 0.00 C ATOM 1059 O ASN A 163 62.899 11.675 -0.435 1.00 0.00 O ATOM 1060 CB ASN A 163 65.363 10.492 0.460 1.00 0.00 C ATOM 1061 CG ASN A 163 66.578 11.419 0.509 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.005 11.936 -0.505 1.00 0.00 O ATOM 1063 ND2 ASN A 163 67.159 11.653 1.654 1.00 0.00 N ATOM 0 H ASN A 163 64.258 10.287 3.414 1.00 0.00 H new ATOM 0 HA ASN A 163 64.549 11.988 1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 163 65.652 9.480 0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 163 64.974 10.438 -0.557 1.00 0.00 H new ATOM 0 HD21 ASN A 163 67.971 12.269 1.698 1.00 0.00 H new ATOM 0 HD22 ASN A 163 66.801 11.220 2.505 1.00 0.00 H new ATOM 1070 N GLY A 164 61.880 10.758 1.283 1.00 0.00 N ATOM 1071 CA GLY A 164 60.549 10.879 0.626 1.00 0.00 C ATOM 1072 C GLY A 164 60.439 9.836 -0.486 1.00 0.00 C ATOM 1073 O GLY A 164 59.711 10.010 -1.443 1.00 0.00 O ATOM 0 H GLY A 164 61.868 10.334 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 164 59.755 10.733 1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 164 60.423 11.881 0.215 1.00 0.00 H new ATOM 1077 N LYS A 165 61.161 8.753 -0.371 1.00 0.00 N ATOM 1078 CA LYS A 165 61.100 7.706 -1.429 1.00 0.00 C ATOM 1079 C LYS A 165 61.369 6.320 -0.836 1.00 0.00 C ATOM 1080 O LYS A 165 62.135 6.168 0.096 1.00 0.00 O ATOM 1081 CB LYS A 165 62.204 8.083 -2.416 1.00 0.00 C ATOM 1082 CG LYS A 165 61.605 8.294 -3.807 1.00 0.00 C ATOM 1083 CD LYS A 165 62.177 7.254 -4.772 1.00 0.00 C ATOM 1084 CE LYS A 165 63.582 7.676 -5.211 1.00 0.00 C ATOM 1085 NZ LYS A 165 63.379 8.435 -6.479 1.00 0.00 N ATOM 0 H LYS A 165 61.788 8.550 0.407 1.00 0.00 H new ATOM 0 HA LYS A 165 60.119 7.660 -1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 165 62.706 8.992 -2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 165 62.958 7.297 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 165 60.519 8.207 -3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 165 61.831 9.299 -4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 165 62.214 6.277 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 165 61.528 7.155 -5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 165 64.063 8.295 -4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 165 64.223 6.809 -5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 64.299 8.758 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 62.926 7.819 -7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 62.771 9.259 -6.297 1.00 0.00 H new ATOM 1099 N VAL A 166 60.754 5.306 -1.382 1.00 0.00 N ATOM 1100 CA VAL A 166 60.983 3.928 -0.866 1.00 0.00 C ATOM 1101 C VAL A 166 62.295 3.386 -1.439 1.00 0.00 C ATOM 1102 O VAL A 166 62.910 4.004 -2.287 1.00 0.00 O ATOM 1103 CB VAL A 166 59.795 3.109 -1.371 1.00 0.00 C ATOM 1104 CG1 VAL A 166 59.722 1.785 -0.607 1.00 0.00 C ATOM 1105 CG2 VAL A 166 58.501 3.895 -1.149 1.00 0.00 C ATOM 0 H VAL A 166 60.102 5.373 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 166 61.059 3.891 0.221 1.00 0.00 H new ATOM 0 HB VAL A 166 59.922 2.908 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 166 58.874 1.203 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 166 60.642 1.223 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 166 59.597 1.985 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 166 57.654 3.311 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 166 58.376 4.097 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 166 58.550 4.838 -1.694 1.00 0.00 H new ATOM 1115 N ILE A 167 62.731 2.243 -0.991 1.00 0.00 N ATOM 1116 CA ILE A 167 64.008 1.682 -1.524 1.00 0.00 C ATOM 1117 C ILE A 167 63.912 0.167 -1.685 1.00 0.00 C ATOM 1118 O ILE A 167 63.048 -0.480 -1.127 1.00 0.00 O ATOM 1119 CB ILE A 167 65.094 2.020 -0.493 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.492 2.104 0.914 1.00 0.00 C ATOM 1121 CG2 ILE A 167 65.744 3.354 -0.852 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.476 1.513 1.923 1.00 0.00 C ATOM 0 H ILE A 167 62.264 1.675 -0.284 1.00 0.00 H new ATOM 0 HA ILE A 167 64.232 2.103 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 167 65.846 1.231 -0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 167 64.274 3.142 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.547 1.562 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.515 3.592 -0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.194 3.285 -1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 167 64.988 4.139 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 167 65.050 1.572 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 167 65.672 0.470 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.410 2.075 1.893 1.00 0.00 H new ATOM 1134 N ASP A 168 64.813 -0.401 -2.436 1.00 0.00 N ATOM 1135 CA ASP A 168 64.807 -1.876 -2.633 1.00 0.00 C ATOM 1136 C ASP A 168 66.039 -2.479 -1.959 1.00 0.00 C ATOM 1137 O ASP A 168 67.117 -2.483 -2.523 1.00 0.00 O ATOM 1138 CB ASP A 168 64.868 -2.077 -4.147 1.00 0.00 C ATOM 1139 CG ASP A 168 64.428 -3.502 -4.492 1.00 0.00 C ATOM 1140 OD1 ASP A 168 65.192 -4.416 -4.230 1.00 0.00 O ATOM 1141 OD2 ASP A 168 63.337 -3.653 -5.015 1.00 0.00 O ATOM 0 H ASP A 168 65.558 0.096 -2.924 1.00 0.00 H new ATOM 0 HA ASP A 168 63.929 -2.357 -2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 168 64.222 -1.355 -4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 168 65.882 -1.901 -4.507 1.00 0.00 H new ATOM 1146 N PRO A 169 65.836 -2.955 -0.760 1.00 0.00 N ATOM 1147 CA PRO A 169 66.939 -3.561 0.021 1.00 0.00 C ATOM 1148 C PRO A 169 67.249 -4.970 -0.492 1.00 0.00 C ATOM 1149 O PRO A 169 66.411 -5.849 -0.468 1.00 0.00 O ATOM 1150 CB PRO A 169 66.386 -3.614 1.441 1.00 0.00 C ATOM 1151 CG PRO A 169 64.897 -3.642 1.283 1.00 0.00 C ATOM 1152 CD PRO A 169 64.566 -2.968 -0.025 1.00 0.00 C ATOM 0 HA PRO A 169 67.870 -2.999 -0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.742 -4.498 1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 169 66.704 -2.747 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.530 -4.668 1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.414 -3.126 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 169 63.797 -3.515 -0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.188 -1.958 0.133 1.00 0.00 H new ATOM 1160 N LYS A 170 68.451 -5.193 -0.950 1.00 0.00 N ATOM 1161 CA LYS A 170 68.818 -6.545 -1.458 1.00 0.00 C ATOM 1162 C LYS A 170 70.196 -6.943 -0.951 1.00 0.00 C ATOM 1163 O LYS A 170 70.724 -6.365 -0.022 1.00 0.00 O ATOM 1164 CB LYS A 170 68.863 -6.415 -2.975 1.00 0.00 C ATOM 1165 CG LYS A 170 67.779 -7.295 -3.602 1.00 0.00 C ATOM 1166 CD LYS A 170 68.198 -7.687 -5.021 1.00 0.00 C ATOM 1167 CE LYS A 170 66.954 -7.839 -5.899 1.00 0.00 C ATOM 1168 NZ LYS A 170 67.471 -7.867 -7.295 1.00 0.00 N ATOM 0 H LYS A 170 69.195 -4.497 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 170 68.106 -7.300 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 170 68.713 -5.375 -3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 170 69.844 -6.711 -3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 170 67.626 -8.188 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 170 66.830 -6.760 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 170 68.860 -6.928 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 170 68.758 -8.622 -5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 170 66.411 -8.754 -5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 170 66.262 -7.010 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 66.676 -7.969 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 67.977 -6.981 -7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 68.122 -8.670 -7.408 1.00 0.00 H new ATOM 1182 N ARG A 171 70.782 -7.927 -1.564 1.00 0.00 N ATOM 1183 CA ARG A 171 72.131 -8.365 -1.133 1.00 0.00 C ATOM 1184 C ARG A 171 73.211 -7.618 -1.915 1.00 0.00 C ATOM 1185 O ARG A 171 72.936 -6.679 -2.636 1.00 0.00 O ATOM 1186 CB ARG A 171 72.184 -9.863 -1.429 1.00 0.00 C ATOM 1187 CG ARG A 171 72.348 -10.637 -0.120 1.00 0.00 C ATOM 1188 CD ARG A 171 71.878 -12.079 -0.319 1.00 0.00 C ATOM 1189 NE ARG A 171 70.719 -12.234 0.602 1.00 0.00 N ATOM 1190 CZ ARG A 171 70.024 -13.338 0.594 1.00 0.00 C ATOM 1191 NH1 ARG A 171 69.551 -13.805 -0.529 1.00 0.00 N ATOM 1192 NH2 ARG A 171 69.802 -13.978 1.710 1.00 0.00 N ATOM 0 H ARG A 171 70.384 -8.447 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 171 72.310 -8.157 -0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 171 71.272 -10.176 -1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 171 73.014 -10.083 -2.100 1.00 0.00 H new ATOM 0 HG2 ARG A 171 73.391 -10.623 0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 171 71.770 -10.161 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 171 71.588 -12.261 -1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 171 72.670 -12.789 -0.081 1.00 0.00 H new ATOM 0 HE ARG A 171 70.468 -11.478 1.239 1.00 0.00 H new ATOM 0 HH11 ARG A 171 69.725 -13.307 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 171 69.008 -14.668 -0.534 1.00 0.00 H new ATOM 0 HH21 ARG A 171 70.172 -13.615 2.588 1.00 0.00 H new ATOM 0 HH22 ARG A 171 69.259 -14.841 1.703 1.00 0.00 H new