USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 583 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 27 HIS : no HD1:sc= -0.0428 X(o=-0.74,f=-0.69) USER MOD Set 1.2: A 57 TYR OH : rot 180:sc= -0.694 USER MOD Set 2.1: A 48 THR OG1 : rot 140:sc= 0.319 USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.333 USER MOD Single : A 14 ASN : amide:sc= -0.0306 K(o=-0.031,f=-1.1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -109:sc= -0.481 (180deg=-2.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.0655 K(o=0.065,f=-1.6) USER MOD Single : A 26 MET CE :methyl 130:sc= -0.166 (180deg=-0.79) USER MOD Single : A 28 CYS SG : rot -14:sc= 0.0178 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.135 K(o=-0.14,f=-1.5!) USER MOD Single : A 42 GLN : amide:sc=-0.000561 K(o=-0.00056,f=-1.1) USER MOD Single : A 46 MET CE :methyl -134:sc= -0.112 (180deg=-0.566) USER MOD Single : A 66 ASN : amide:sc= -4.73! C(o=-4.7!,f=-10!) USER MOD Single : A 69 CYS SG : rot 61:sc=0.000192 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc=-0.00325 K(o=-0.0032,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -8.009 2.152 -10.444 1.00 0.00 N ATOM 67 CA MET A 8 -7.151 1.790 -9.321 1.00 0.00 C ATOM 68 C MET A 8 -7.984 1.362 -8.117 1.00 0.00 C ATOM 69 O MET A 8 -8.082 0.174 -7.809 1.00 0.00 O ATOM 70 CB MET A 8 -6.249 2.965 -8.941 1.00 0.00 C ATOM 71 CG MET A 8 -4.895 2.941 -9.632 1.00 0.00 C ATOM 72 SD MET A 8 -4.216 4.591 -9.889 1.00 0.00 S ATOM 73 CE MET A 8 -2.857 4.583 -8.723 1.00 0.00 C ATOM 0 HA MET A 8 -6.529 0.949 -9.627 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.757 3.897 -9.188 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.097 2.961 -7.862 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.197 2.354 -9.035 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.992 2.438 -10.594 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.337 5.540 -8.764 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.242 4.422 -7.716 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.163 3.782 -8.978 1.00 0.00 H new ATOM 83 N ILE A 9 -8.580 2.337 -7.440 1.00 0.00 N ATOM 84 CA ILE A 9 -9.404 2.061 -6.270 1.00 0.00 C ATOM 85 C ILE A 9 -10.380 0.921 -6.542 1.00 0.00 C ATOM 86 O ILE A 9 -10.580 0.047 -5.699 1.00 0.00 O ATOM 87 CB ILE A 9 -10.197 3.307 -5.832 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.247 4.478 -5.575 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.019 3.002 -4.589 1.00 0.00 C ATOM 90 CD1 ILE A 9 -8.990 5.328 -6.800 1.00 0.00 C ATOM 0 H ILE A 9 -8.508 3.325 -7.682 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.725 1.772 -5.467 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.879 3.586 -6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.663 5.106 -4.787 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.297 4.091 -5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.574 3.892 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.718 2.194 -4.804 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.355 2.701 -3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.308 6.139 -6.544 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.545 4.713 -7.583 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.931 5.745 -7.158 1.00 0.00 H new ATOM 102 N ALA A 10 -10.984 0.936 -7.726 1.00 0.00 N ATOM 103 CA ALA A 10 -11.936 -0.098 -8.111 1.00 0.00 C ATOM 104 C ALA A 10 -11.290 -1.480 -8.074 1.00 0.00 C ATOM 105 O ALA A 10 -11.691 -2.341 -7.292 1.00 0.00 O ATOM 106 CB ALA A 10 -12.494 0.188 -9.497 1.00 0.00 C ATOM 0 H ALA A 10 -10.831 1.653 -8.435 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.755 -0.089 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.204 -0.592 -9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.000 1.154 -9.493 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.679 0.208 -10.220 1.00 0.00 H new ATOM 112 N ALA A 11 -10.290 -1.683 -8.925 1.00 0.00 N ATOM 113 CA ALA A 11 -9.589 -2.960 -8.988 1.00 0.00 C ATOM 114 C ALA A 11 -9.155 -3.417 -7.600 1.00 0.00 C ATOM 115 O ALA A 11 -9.474 -4.527 -7.173 1.00 0.00 O ATOM 116 CB ALA A 11 -8.384 -2.855 -9.912 1.00 0.00 C ATOM 0 H ALA A 11 -9.947 -0.980 -9.580 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.277 -3.705 -9.388 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.870 -3.815 -9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.716 -2.582 -10.913 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.702 -2.093 -9.535 1.00 0.00 H new ATOM 122 N TYR A 12 -8.427 -2.555 -6.899 1.00 0.00 N ATOM 123 CA TYR A 12 -7.946 -2.872 -5.559 1.00 0.00 C ATOM 124 C TYR A 12 -9.108 -3.212 -4.630 1.00 0.00 C ATOM 125 O TYR A 12 -9.276 -4.361 -4.224 1.00 0.00 O ATOM 126 CB TYR A 12 -7.149 -1.698 -4.989 1.00 0.00 C ATOM 127 CG TYR A 12 -5.808 -1.496 -5.657 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.828 -2.480 -5.606 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.520 -0.320 -6.341 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.601 -2.299 -6.215 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.297 -0.131 -6.953 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.340 -1.123 -6.887 1.00 0.00 C ATOM 133 OH TYR A 12 -2.120 -0.939 -7.495 1.00 0.00 O ATOM 0 H TYR A 12 -8.157 -1.631 -7.236 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.295 -3.743 -5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.738 -0.786 -5.091 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.994 -1.859 -3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.029 -3.402 -5.081 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.266 0.459 -6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.850 -3.074 -6.165 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.090 0.788 -7.481 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.098 -0.059 -7.925 1.00 0.00 H new ATOM 143 N GLU A 13 -9.907 -2.202 -4.299 1.00 0.00 N ATOM 144 CA GLU A 13 -11.053 -2.393 -3.418 1.00 0.00 C ATOM 145 C GLU A 13 -11.700 -3.754 -3.654 1.00 0.00 C ATOM 146 O GLU A 13 -11.917 -4.521 -2.717 1.00 0.00 O ATOM 147 CB GLU A 13 -12.082 -1.282 -3.636 1.00 0.00 C ATOM 148 CG GLU A 13 -13.121 -1.189 -2.531 1.00 0.00 C ATOM 149 CD GLU A 13 -13.814 0.159 -2.493 1.00 0.00 C ATOM 150 OE1 GLU A 13 -14.635 0.430 -3.394 1.00 0.00 O ATOM 151 OE2 GLU A 13 -13.536 0.942 -1.561 1.00 0.00 O ATOM 0 H GLU A 13 -9.782 -1.244 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.698 -2.353 -2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.562 -0.327 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.589 -1.449 -4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.866 -1.972 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.641 -1.374 -1.570 1.00 0.00 H new ATOM 158 N ASN A 14 -12.007 -4.046 -4.914 1.00 0.00 N ATOM 159 CA ASN A 14 -12.631 -5.314 -5.275 1.00 0.00 C ATOM 160 C ASN A 14 -11.708 -6.485 -4.952 1.00 0.00 C ATOM 161 O ASN A 14 -12.136 -7.486 -4.377 1.00 0.00 O ATOM 162 CB ASN A 14 -12.988 -5.326 -6.763 1.00 0.00 C ATOM 163 CG ASN A 14 -14.360 -4.741 -7.033 1.00 0.00 C ATOM 164 OD1 ASN A 14 -14.959 -4.107 -6.164 1.00 0.00 O ATOM 165 ND2 ASN A 14 -14.866 -4.953 -8.242 1.00 0.00 N ATOM 0 H ASN A 14 -11.834 -3.422 -5.702 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.544 -5.421 -4.689 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.239 -4.761 -7.318 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.953 -6.350 -7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.787 -4.585 -8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.334 -5.484 -8.931 1.00 0.00 H new ATOM 172 N SER A 15 -10.440 -6.353 -5.326 1.00 0.00 N ATOM 173 CA SER A 15 -9.456 -7.401 -5.080 1.00 0.00 C ATOM 174 C SER A 15 -9.273 -7.633 -3.583 1.00 0.00 C ATOM 175 O SER A 15 -9.304 -6.693 -2.789 1.00 0.00 O ATOM 176 CB SER A 15 -8.116 -7.033 -5.719 1.00 0.00 C ATOM 177 OG SER A 15 -7.203 -8.114 -5.647 1.00 0.00 O ATOM 0 H SER A 15 -10.069 -5.530 -5.801 1.00 0.00 H new ATOM 0 HA SER A 15 -9.823 -8.323 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.271 -6.753 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.695 -6.163 -5.214 1.00 0.00 H new ATOM 0 HG SER A 15 -6.355 -7.854 -6.064 1.00 0.00 H new ATOM 183 N LYS A 16 -9.081 -8.892 -3.205 1.00 0.00 N ATOM 184 CA LYS A 16 -8.890 -9.250 -1.804 1.00 0.00 C ATOM 185 C LYS A 16 -7.408 -9.271 -1.445 1.00 0.00 C ATOM 186 O LYS A 16 -6.551 -9.023 -2.292 1.00 0.00 O ATOM 187 CB LYS A 16 -9.515 -10.617 -1.517 1.00 0.00 C ATOM 188 CG LYS A 16 -10.987 -10.548 -1.147 1.00 0.00 C ATOM 189 CD LYS A 16 -11.469 -11.850 -0.531 1.00 0.00 C ATOM 190 CE LYS A 16 -11.551 -12.960 -1.568 1.00 0.00 C ATOM 191 NZ LYS A 16 -10.224 -13.591 -1.811 1.00 0.00 N ATOM 0 H LYS A 16 -9.053 -9.682 -3.849 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.383 -8.496 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.399 -11.252 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.967 -11.094 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.148 -9.730 -0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.576 -10.325 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.792 -12.148 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.450 -11.699 -0.079 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.258 -13.719 -1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.938 -12.555 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.878 -13.319 -2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.549 -13.269 -1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.317 -14.626 -1.762 1.00 0.00 H new ATOM 205 N TRP A 17 -7.114 -9.570 -0.184 1.00 0.00 N ATOM 206 CA TRP A 17 -5.735 -9.624 0.286 1.00 0.00 C ATOM 207 C TRP A 17 -5.014 -10.843 -0.281 1.00 0.00 C ATOM 208 O TRP A 17 -5.649 -11.796 -0.730 1.00 0.00 O ATOM 209 CB TRP A 17 -5.697 -9.660 1.815 1.00 0.00 C ATOM 210 CG TRP A 17 -4.307 -9.703 2.374 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.484 -8.639 2.606 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.578 -10.871 2.768 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.287 -9.074 3.121 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.320 -10.439 3.231 1.00 0.00 C ATOM 215 CE3 TRP A 17 -3.866 -12.238 2.776 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.353 -11.328 3.695 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -2.906 -13.118 3.237 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.662 -12.661 3.692 1.00 0.00 C ATOM 0 H TRP A 17 -7.812 -9.778 0.530 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.223 -8.727 -0.063 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.211 -8.781 2.205 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.249 -10.533 2.165 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.737 -7.607 2.413 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.501 -8.477 3.380 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.822 -12.600 2.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.393 -10.977 4.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.118 -14.177 3.247 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.933 -13.374 4.047 1.00 0.00 H new ATOM 229 N GLU A 18 -3.686 -10.804 -0.256 1.00 0.00 N ATOM 230 CA GLU A 18 -2.880 -11.906 -0.769 1.00 0.00 C ATOM 231 C GLU A 18 -1.552 -12.001 -0.024 1.00 0.00 C ATOM 232 O GLU A 18 -0.892 -10.998 0.249 1.00 0.00 O ATOM 233 CB GLU A 18 -2.626 -11.727 -2.267 1.00 0.00 C ATOM 234 CG GLU A 18 -1.973 -12.933 -2.922 1.00 0.00 C ATOM 235 CD GLU A 18 -2.956 -14.058 -3.184 1.00 0.00 C ATOM 236 OE1 GLU A 18 -4.126 -13.760 -3.501 1.00 0.00 O ATOM 237 OE2 GLU A 18 -2.554 -15.235 -3.072 1.00 0.00 O ATOM 0 H GLU A 18 -3.145 -10.022 0.114 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.433 -12.832 -0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.573 -11.522 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.991 -10.854 -2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.517 -12.628 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.170 -13.299 -2.282 1.00 0.00 H new ATOM 244 N PRO A 19 -1.149 -13.235 0.312 1.00 0.00 N ATOM 245 CA PRO A 19 0.103 -13.492 1.029 1.00 0.00 C ATOM 246 C PRO A 19 1.331 -13.221 0.166 1.00 0.00 C ATOM 247 O PRO A 19 1.728 -14.055 -0.647 1.00 0.00 O ATOM 248 CB PRO A 19 0.014 -14.979 1.378 1.00 0.00 C ATOM 249 CG PRO A 19 -0.894 -15.557 0.348 1.00 0.00 C ATOM 250 CD PRO A 19 -1.886 -14.476 0.017 1.00 0.00 C ATOM 0 HA PRO A 19 0.216 -12.842 1.897 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.996 -15.452 1.350 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.382 -15.127 2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.336 -15.860 -0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.398 -16.446 0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.196 -14.521 -1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.789 -14.560 0.621 1.00 0.00 H new ATOM 258 N VAL A 20 1.930 -12.048 0.349 1.00 0.00 N ATOM 259 CA VAL A 20 3.114 -11.667 -0.411 1.00 0.00 C ATOM 260 C VAL A 20 4.184 -11.073 0.498 1.00 0.00 C ATOM 261 O VAL A 20 3.876 -10.358 1.453 1.00 0.00 O ATOM 262 CB VAL A 20 2.770 -10.649 -1.514 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.902 -9.531 -0.957 1.00 0.00 C ATOM 264 CG2 VAL A 20 4.039 -10.089 -2.137 1.00 0.00 C ATOM 0 H VAL A 20 1.614 -11.345 1.017 1.00 0.00 H new ATOM 0 HA VAL A 20 3.498 -12.576 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 20 2.206 -11.161 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.669 -8.821 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.977 -9.951 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.437 -9.019 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.777 -9.371 -2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.632 -9.592 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.619 -10.902 -2.574 1.00 0.00 H new ATOM 274 N LYS A 21 5.443 -11.372 0.196 1.00 0.00 N ATOM 275 CA LYS A 21 6.560 -10.866 0.984 1.00 0.00 C ATOM 276 C LYS A 21 6.983 -9.481 0.503 1.00 0.00 C ATOM 277 O LYS A 21 7.442 -9.320 -0.628 1.00 0.00 O ATOM 278 CB LYS A 21 7.746 -11.829 0.903 1.00 0.00 C ATOM 279 CG LYS A 21 9.016 -11.285 1.533 1.00 0.00 C ATOM 280 CD LYS A 21 9.884 -12.401 2.091 1.00 0.00 C ATOM 281 CE LYS A 21 10.245 -13.416 1.018 1.00 0.00 C ATOM 282 NZ LYS A 21 11.509 -13.057 0.318 1.00 0.00 N ATOM 0 H LYS A 21 5.715 -11.963 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 21 6.234 -10.787 2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.478 -12.764 1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.941 -12.064 -0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.580 -10.722 0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.758 -10.589 2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.795 -11.978 2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.357 -12.901 2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.348 -14.402 1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.434 -13.482 0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.721 -13.773 -0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.403 -12.127 -0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.288 -13.019 1.006 1.00 0.00 H new ATOM 296 N TRP A 22 6.826 -8.486 1.368 1.00 0.00 N ATOM 297 CA TRP A 22 7.193 -7.115 1.031 1.00 0.00 C ATOM 298 C TRP A 22 8.694 -6.899 1.190 1.00 0.00 C ATOM 299 O TRP A 22 9.243 -7.076 2.277 1.00 0.00 O ATOM 300 CB TRP A 22 6.427 -6.129 1.914 1.00 0.00 C ATOM 301 CG TRP A 22 4.972 -6.026 1.566 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.913 -6.333 2.372 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.418 -5.589 0.320 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.734 -6.112 1.702 1.00 0.00 N ATOM 305 CE2 TRP A 22 3.016 -5.655 0.442 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.969 -5.147 -0.885 1.00 0.00 C ATOM 307 CZ2 TRP A 22 2.161 -5.296 -0.596 1.00 0.00 C ATOM 308 CZ3 TRP A 22 4.119 -4.791 -1.915 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.728 -4.867 -1.765 1.00 0.00 C ATOM 0 H TRP A 22 6.447 -8.602 2.308 1.00 0.00 H new ATOM 0 HA TRP A 22 6.928 -6.940 -0.012 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.523 -6.435 2.956 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.885 -5.143 1.827 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.991 -6.696 3.386 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.800 -6.264 2.082 1.00 0.00 H new ATOM 0 HE3 TRP A 22 6.040 -5.085 -1.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 1.089 -5.354 -0.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.534 -4.448 -2.851 1.00 0.00 H new ATOM 0 HH2 TRP A 22 2.091 -4.581 -2.589 1.00 0.00 H new ATOM 320 N GLU A 23 9.351 -6.515 0.100 1.00 0.00 N ATOM 321 CA GLU A 23 10.789 -6.276 0.121 1.00 0.00 C ATOM 322 C GLU A 23 11.091 -4.781 0.183 1.00 0.00 C ATOM 323 O GLU A 23 10.207 -3.950 -0.019 1.00 0.00 O ATOM 324 CB GLU A 23 11.448 -6.889 -1.116 1.00 0.00 C ATOM 325 CG GLU A 23 11.312 -8.401 -1.192 1.00 0.00 C ATOM 326 CD GLU A 23 11.840 -8.969 -2.495 1.00 0.00 C ATOM 327 OE1 GLU A 23 13.035 -8.762 -2.792 1.00 0.00 O ATOM 328 OE2 GLU A 23 11.058 -9.622 -3.217 1.00 0.00 O ATOM 0 H GLU A 23 8.911 -6.363 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 23 11.197 -6.749 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.006 -6.448 -2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.506 -6.627 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.850 -8.853 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.263 -8.674 -1.080 1.00 0.00 H new ATOM 335 N ASN A 24 12.346 -4.448 0.464 1.00 0.00 N ATOM 336 CA ASN A 24 12.766 -3.054 0.554 1.00 0.00 C ATOM 337 C ASN A 24 12.869 -2.426 -0.832 1.00 0.00 C ATOM 338 O ASN A 24 13.191 -3.103 -1.809 1.00 0.00 O ATOM 339 CB ASN A 24 14.111 -2.950 1.275 1.00 0.00 C ATOM 340 CG ASN A 24 14.305 -1.604 1.947 1.00 0.00 C ATOM 341 OD1 ASN A 24 14.566 -0.600 1.285 1.00 0.00 O ATOM 342 ND2 ASN A 24 14.177 -1.579 3.268 1.00 0.00 N ATOM 0 H ASN A 24 13.090 -5.124 0.633 1.00 0.00 H new ATOM 0 HA ASN A 24 12.013 -2.510 1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.181 -3.740 2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.917 -3.116 0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.296 -0.702 3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.960 -2.437 3.776 1.00 0.00 H new ATOM 349 N ASP A 25 12.594 -1.129 -0.910 1.00 0.00 N ATOM 350 CA ASP A 25 12.658 -0.409 -2.177 1.00 0.00 C ATOM 351 C ASP A 25 11.648 -0.970 -3.172 1.00 0.00 C ATOM 352 O ASP A 25 11.972 -1.199 -4.337 1.00 0.00 O ATOM 353 CB ASP A 25 14.068 -0.488 -2.762 1.00 0.00 C ATOM 354 CG ASP A 25 15.109 0.137 -1.853 1.00 0.00 C ATOM 355 OD1 ASP A 25 14.824 1.204 -1.271 1.00 0.00 O ATOM 356 OD2 ASP A 25 16.208 -0.442 -1.724 1.00 0.00 O ATOM 0 H ASP A 25 12.325 -0.554 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 25 12.411 0.635 -1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.326 -1.532 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.086 0.015 -3.729 1.00 0.00 H new ATOM 361 N MET A 26 10.424 -1.192 -2.705 1.00 0.00 N ATOM 362 CA MET A 26 9.367 -1.727 -3.555 1.00 0.00 C ATOM 363 C MET A 26 8.205 -0.744 -3.661 1.00 0.00 C ATOM 364 O MET A 26 8.081 0.176 -2.851 1.00 0.00 O ATOM 365 CB MET A 26 8.869 -3.065 -3.006 1.00 0.00 C ATOM 366 CG MET A 26 9.626 -4.265 -3.553 1.00 0.00 C ATOM 367 SD MET A 26 8.773 -5.823 -3.243 1.00 0.00 S ATOM 368 CE MET A 26 7.322 -5.626 -4.275 1.00 0.00 C ATOM 0 H MET A 26 10.140 -1.010 -1.743 1.00 0.00 H new ATOM 0 HA MET A 26 9.781 -1.883 -4.551 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.953 -3.057 -1.919 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.811 -3.174 -3.243 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.769 -4.141 -4.626 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.617 -4.302 -3.101 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.196 -6.511 -4.898 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.442 -5.498 -3.645 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.444 -4.749 -4.911 1.00 0.00 H new ATOM 378 N HIS A 27 7.355 -0.945 -4.663 1.00 0.00 N ATOM 379 CA HIS A 27 6.203 -0.076 -4.874 1.00 0.00 C ATOM 380 C HIS A 27 4.901 -0.825 -4.607 1.00 0.00 C ATOM 381 O HIS A 27 4.780 -2.010 -4.920 1.00 0.00 O ATOM 382 CB HIS A 27 6.205 0.472 -6.302 1.00 0.00 C ATOM 383 CG HIS A 27 6.975 1.748 -6.452 1.00 0.00 C ATOM 384 ND1 HIS A 27 6.745 2.651 -7.469 1.00 0.00 N ATOM 385 CD2 HIS A 27 7.975 2.272 -5.705 1.00 0.00 C ATOM 386 CE1 HIS A 27 7.572 3.673 -7.343 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.328 3.468 -6.280 1.00 0.00 N ATOM 0 H HIS A 27 7.442 -1.702 -5.341 1.00 0.00 H new ATOM 0 HA HIS A 27 6.274 0.756 -4.173 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.628 -0.279 -6.970 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.176 0.639 -6.620 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.413 1.832 -4.822 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.621 4.530 -7.998 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.056 4.096 -5.941 1.00 0.00 H new ATOM 395 N CYS A 28 3.931 -0.128 -4.027 1.00 0.00 N ATOM 396 CA CYS A 28 2.639 -0.728 -3.715 1.00 0.00 C ATOM 397 C CYS A 28 1.592 0.347 -3.439 1.00 0.00 C ATOM 398 O CYS A 28 1.913 1.531 -3.352 1.00 0.00 O ATOM 399 CB CYS A 28 2.763 -1.659 -2.508 1.00 0.00 C ATOM 400 SG CYS A 28 3.511 -0.887 -1.055 1.00 0.00 S ATOM 0 H CYS A 28 4.015 0.854 -3.763 1.00 0.00 H new ATOM 0 HA CYS A 28 2.318 -1.308 -4.580 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.772 -2.025 -2.242 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.358 -2.527 -2.792 1.00 0.00 H new ATOM 0 HG CYS A 28 4.070 0.235 -1.399 1.00 0.00 H new ATOM 406 N ALA A 29 0.340 -0.076 -3.303 1.00 0.00 N ATOM 407 CA ALA A 29 -0.754 0.850 -3.036 1.00 0.00 C ATOM 408 C ALA A 29 -1.372 0.590 -1.666 1.00 0.00 C ATOM 409 O ALA A 29 -1.870 -0.503 -1.396 1.00 0.00 O ATOM 410 CB ALA A 29 -1.813 0.744 -4.123 1.00 0.00 C ATOM 0 H ALA A 29 0.058 -1.054 -3.373 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.348 1.862 -3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.624 1.441 -3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.369 0.987 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.206 -0.272 -4.150 1.00 0.00 H new ATOM 416 N VAL A 30 -1.335 1.601 -0.804 1.00 0.00 N ATOM 417 CA VAL A 30 -1.892 1.481 0.539 1.00 0.00 C ATOM 418 C VAL A 30 -3.287 2.093 0.611 1.00 0.00 C ATOM 419 O VAL A 30 -3.608 3.024 -0.127 1.00 0.00 O ATOM 420 CB VAL A 30 -0.989 2.163 1.584 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.726 3.611 1.199 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.616 2.076 2.967 1.00 0.00 C ATOM 0 H VAL A 30 -0.926 2.512 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.953 0.416 0.763 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.033 1.640 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.086 4.076 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.231 3.645 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.672 4.150 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.965 2.563 3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.586 2.573 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.747 1.029 3.242 1.00 0.00 H new ATOM 432 N LYS A 31 -4.112 1.564 1.508 1.00 0.00 N ATOM 433 CA LYS A 31 -5.473 2.058 1.681 1.00 0.00 C ATOM 434 C LYS A 31 -5.601 2.861 2.972 1.00 0.00 C ATOM 435 O LYS A 31 -5.380 2.337 4.064 1.00 0.00 O ATOM 436 CB LYS A 31 -6.464 0.892 1.693 1.00 0.00 C ATOM 437 CG LYS A 31 -7.908 1.318 1.492 1.00 0.00 C ATOM 438 CD LYS A 31 -8.867 0.163 1.724 1.00 0.00 C ATOM 439 CE LYS A 31 -9.242 0.037 3.193 1.00 0.00 C ATOM 440 NZ LYS A 31 -9.822 -1.299 3.505 1.00 0.00 N ATOM 0 H LYS A 31 -3.862 0.793 2.127 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.703 2.714 0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.190 0.186 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.379 0.364 2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.146 2.133 2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.038 1.702 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.768 0.311 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.409 -0.766 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.358 0.202 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.961 0.814 3.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.064 -1.345 4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.680 -1.446 2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.127 -2.040 3.282 1.00 0.00 H new ATOM 454 N ILE A 32 -5.960 4.133 2.839 1.00 0.00 N ATOM 455 CA ILE A 32 -6.120 5.006 3.995 1.00 0.00 C ATOM 456 C ILE A 32 -7.344 4.613 4.816 1.00 0.00 C ATOM 457 O ILE A 32 -8.372 4.219 4.265 1.00 0.00 O ATOM 458 CB ILE A 32 -6.252 6.481 3.573 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.149 6.851 2.579 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.198 7.388 4.793 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.296 8.241 2.001 1.00 0.00 C ATOM 0 H ILE A 32 -6.146 4.582 1.942 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.224 4.889 4.604 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.217 6.618 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.182 6.774 3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.147 6.126 1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.293 8.427 4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.016 7.138 5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.247 7.250 5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.479 8.434 1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.247 8.317 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.267 8.975 2.806 1.00 0.00 H new ATOM 473 N GLN A 33 -7.225 4.724 6.135 1.00 0.00 N ATOM 474 CA GLN A 33 -8.322 4.380 7.032 1.00 0.00 C ATOM 475 C GLN A 33 -9.387 5.473 7.033 1.00 0.00 C ATOM 476 O GLN A 33 -10.466 5.303 6.465 1.00 0.00 O ATOM 477 CB GLN A 33 -7.799 4.161 8.452 1.00 0.00 C ATOM 478 CG GLN A 33 -7.045 2.852 8.627 1.00 0.00 C ATOM 479 CD GLN A 33 -6.993 2.397 10.072 1.00 0.00 C ATOM 480 OE1 GLN A 33 -6.651 3.171 10.967 1.00 0.00 O ATOM 481 NE2 GLN A 33 -7.332 1.136 10.308 1.00 0.00 N ATOM 0 H GLN A 33 -6.381 5.049 6.606 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.775 3.456 6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.142 4.988 8.720 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.638 4.183 9.147 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.521 2.079 8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.029 2.969 8.250 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.609 0.529 9.536 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.316 0.773 11.261 1.00 0.00 H new ATOM 490 N ASP A 34 -9.076 6.594 7.674 1.00 0.00 N ATOM 491 CA ASP A 34 -10.005 7.715 7.748 1.00 0.00 C ATOM 492 C ASP A 34 -10.605 8.016 6.378 1.00 0.00 C ATOM 493 O ASP A 34 -11.821 8.137 6.234 1.00 0.00 O ATOM 494 CB ASP A 34 -9.297 8.957 8.293 1.00 0.00 C ATOM 495 CG ASP A 34 -8.784 8.759 9.705 1.00 0.00 C ATOM 496 OD1 ASP A 34 -9.562 8.281 10.558 1.00 0.00 O ATOM 497 OD2 ASP A 34 -7.605 9.080 9.959 1.00 0.00 O ATOM 0 H ASP A 34 -8.188 6.751 8.150 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.813 7.440 8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.463 9.212 7.639 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.986 9.801 8.275 1.00 0.00 H new ATOM 502 N LYS A 35 -9.742 8.137 5.374 1.00 0.00 N ATOM 503 CA LYS A 35 -10.185 8.424 4.015 1.00 0.00 C ATOM 504 C LYS A 35 -10.517 7.136 3.268 1.00 0.00 C ATOM 505 O LYS A 35 -10.434 6.043 3.828 1.00 0.00 O ATOM 506 CB LYS A 35 -9.106 9.201 3.258 1.00 0.00 C ATOM 507 CG LYS A 35 -8.501 10.340 4.061 1.00 0.00 C ATOM 508 CD LYS A 35 -9.409 11.558 4.074 1.00 0.00 C ATOM 509 CE LYS A 35 -9.237 12.394 2.815 1.00 0.00 C ATOM 510 NZ LYS A 35 -10.458 13.187 2.504 1.00 0.00 N ATOM 0 H LYS A 35 -8.732 8.041 5.477 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.088 9.032 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.313 8.513 2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.536 9.603 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.320 10.009 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.534 10.611 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.447 11.238 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.189 12.168 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.389 13.067 2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.005 11.740 1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.300 13.743 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.262 12.544 2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.666 13.829 3.295 1.00 0.00 H new ATOM 524 N ASN A 36 -10.891 7.272 2.000 1.00 0.00 N ATOM 525 CA ASN A 36 -11.234 6.118 1.176 1.00 0.00 C ATOM 526 C ASN A 36 -10.493 6.162 -0.157 1.00 0.00 C ATOM 527 O ASN A 36 -10.995 5.682 -1.173 1.00 0.00 O ATOM 528 CB ASN A 36 -12.744 6.071 0.931 1.00 0.00 C ATOM 529 CG ASN A 36 -13.522 5.720 2.185 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.605 4.554 2.571 1.00 0.00 O ATOM 531 ND2 ASN A 36 -14.097 6.730 2.826 1.00 0.00 N ATOM 0 H ASN A 36 -10.964 8.169 1.521 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.931 5.218 1.711 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.079 7.039 0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.961 5.337 0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.634 6.555 3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.002 7.681 2.469 1.00 0.00 H new ATOM 538 N GLN A 37 -9.296 6.740 -0.143 1.00 0.00 N ATOM 539 CA GLN A 37 -8.486 6.846 -1.350 1.00 0.00 C ATOM 540 C GLN A 37 -7.243 5.968 -1.251 1.00 0.00 C ATOM 541 O GLN A 37 -6.721 5.735 -0.161 1.00 0.00 O ATOM 542 CB GLN A 37 -8.079 8.301 -1.591 1.00 0.00 C ATOM 543 CG GLN A 37 -7.810 8.624 -3.052 1.00 0.00 C ATOM 544 CD GLN A 37 -9.052 9.096 -3.783 1.00 0.00 C ATOM 545 OE1 GLN A 37 -9.938 9.713 -3.191 1.00 0.00 O ATOM 546 NE2 GLN A 37 -9.123 8.806 -5.077 1.00 0.00 N ATOM 0 H GLN A 37 -8.866 7.142 0.690 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.087 6.500 -2.191 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.868 8.956 -1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.184 8.520 -1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.041 9.394 -3.114 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.415 7.738 -3.549 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.365 8.293 -5.527 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.935 9.097 -5.621 1.00 0.00 H new ATOM 555 N TRP A 38 -6.775 5.483 -2.395 1.00 0.00 N ATOM 556 CA TRP A 38 -5.593 4.629 -2.436 1.00 0.00 C ATOM 557 C TRP A 38 -4.350 5.437 -2.791 1.00 0.00 C ATOM 558 O TRP A 38 -4.287 6.064 -3.849 1.00 0.00 O ATOM 559 CB TRP A 38 -5.789 3.500 -3.450 1.00 0.00 C ATOM 560 CG TRP A 38 -6.730 2.434 -2.977 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.095 2.476 -3.002 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.376 1.169 -2.407 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.611 1.314 -2.482 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.577 0.495 -2.110 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.162 0.540 -2.120 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.596 -0.775 -1.540 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.183 -0.721 -1.554 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.393 -1.368 -1.270 1.00 0.00 C ATOM 0 H TRP A 38 -7.195 5.666 -3.306 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.453 4.198 -1.445 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.166 3.920 -4.382 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.822 3.049 -3.672 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.682 3.302 -3.376 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.603 1.096 -2.388 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.224 1.030 -2.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.528 -1.275 -1.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.250 -1.216 -1.327 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.376 -2.354 -0.829 1.00 0.00 H new ATOM 579 N ARG A 39 -3.363 5.418 -1.902 1.00 0.00 N ATOM 580 CA ARG A 39 -2.122 6.151 -2.122 1.00 0.00 C ATOM 581 C ARG A 39 -0.959 5.192 -2.357 1.00 0.00 C ATOM 582 O ARG A 39 -0.988 4.044 -1.913 1.00 0.00 O ATOM 583 CB ARG A 39 -1.818 7.053 -0.924 1.00 0.00 C ATOM 584 CG ARG A 39 -2.669 8.312 -0.879 1.00 0.00 C ATOM 585 CD ARG A 39 -2.008 9.459 -1.626 1.00 0.00 C ATOM 586 NE ARG A 39 -2.973 10.478 -2.029 1.00 0.00 N ATOM 587 CZ ARG A 39 -3.811 10.334 -3.050 1.00 0.00 C ATOM 588 NH1 ARG A 39 -3.802 9.219 -3.767 1.00 0.00 N ATOM 589 NH2 ARG A 39 -4.660 11.307 -3.355 1.00 0.00 N ATOM 0 H ARG A 39 -3.398 4.903 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.247 6.769 -3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.972 6.487 -0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.766 7.336 -0.951 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.646 8.107 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.838 8.601 0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.245 9.912 -0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.500 9.071 -2.509 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.006 11.348 -1.498 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.151 8.469 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.446 9.111 -4.550 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.670 12.166 -2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.303 11.196 -4.139 1.00 0.00 H new ATOM 603 N ARG A 40 0.064 5.670 -3.058 1.00 0.00 N ATOM 604 CA ARG A 40 1.236 4.855 -3.354 1.00 0.00 C ATOM 605 C ARG A 40 2.296 5.012 -2.267 1.00 0.00 C ATOM 606 O ARG A 40 2.574 6.121 -1.814 1.00 0.00 O ATOM 607 CB ARG A 40 1.822 5.240 -4.713 1.00 0.00 C ATOM 608 CG ARG A 40 1.102 4.603 -5.890 1.00 0.00 C ATOM 609 CD ARG A 40 1.918 4.714 -7.169 1.00 0.00 C ATOM 610 NE ARG A 40 1.759 6.018 -7.807 1.00 0.00 N ATOM 611 CZ ARG A 40 2.209 6.300 -9.025 1.00 0.00 C ATOM 612 NH1 ARG A 40 2.841 5.374 -9.732 1.00 0.00 N ATOM 613 NH2 ARG A 40 2.027 7.510 -9.537 1.00 0.00 N ATOM 0 H ARG A 40 0.105 6.618 -3.432 1.00 0.00 H new ATOM 0 HA ARG A 40 0.923 3.811 -3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.787 6.324 -4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.873 4.951 -4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.905 3.553 -5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.135 5.086 -6.031 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.971 4.547 -6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.613 3.931 -7.863 1.00 0.00 H new ATOM 0 HE ARG A 40 1.276 6.752 -7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.983 4.443 -9.341 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.186 5.593 -10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.541 8.225 -8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.373 7.725 -10.472 1.00 0.00 H new ATOM 627 N GLY A 41 2.884 3.893 -1.854 1.00 0.00 N ATOM 628 CA GLY A 41 3.905 3.928 -0.825 1.00 0.00 C ATOM 629 C GLY A 41 5.120 3.096 -1.184 1.00 0.00 C ATOM 630 O GLY A 41 5.042 2.209 -2.034 1.00 0.00 O ATOM 0 H GLY A 41 2.671 2.963 -2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.212 4.960 -0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.484 3.565 0.112 1.00 0.00 H new ATOM 634 N GLN A 42 6.245 3.383 -0.537 1.00 0.00 N ATOM 635 CA GLN A 42 7.481 2.654 -0.796 1.00 0.00 C ATOM 636 C GLN A 42 7.945 1.909 0.451 1.00 0.00 C ATOM 637 O GLN A 42 8.207 2.518 1.489 1.00 0.00 O ATOM 638 CB GLN A 42 8.575 3.615 -1.266 1.00 0.00 C ATOM 639 CG GLN A 42 9.787 2.915 -1.859 1.00 0.00 C ATOM 640 CD GLN A 42 10.913 3.874 -2.187 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.018 4.951 -1.598 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.763 3.489 -3.131 1.00 0.00 N ATOM 0 H GLN A 42 6.326 4.114 0.169 1.00 0.00 H new ATOM 0 HA GLN A 42 7.285 1.924 -1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.157 4.292 -2.011 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.896 4.227 -0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.148 2.164 -1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.489 2.387 -2.765 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.638 2.588 -3.593 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.541 4.094 -3.394 1.00 0.00 H new ATOM 651 N ILE A 43 8.043 0.588 0.342 1.00 0.00 N ATOM 652 CA ILE A 43 8.476 -0.240 1.461 1.00 0.00 C ATOM 653 C ILE A 43 9.717 0.342 2.129 1.00 0.00 C ATOM 654 O ILE A 43 10.845 0.037 1.739 1.00 0.00 O ATOM 655 CB ILE A 43 8.778 -1.682 1.011 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.550 -2.295 0.334 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.213 -2.528 2.198 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.305 -2.256 1.191 1.00 0.00 C ATOM 0 H ILE A 43 7.829 0.069 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 43 7.655 -0.256 2.177 1.00 0.00 H new ATOM 0 HB ILE A 43 9.594 -1.658 0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.356 -1.764 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.769 -3.330 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.423 -3.544 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.112 -2.099 2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.416 -2.548 2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.475 -2.707 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.480 -2.811 2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.061 -1.221 1.432 1.00 0.00 H new ATOM 670 N ILE A 44 9.502 1.181 3.137 1.00 0.00 N ATOM 671 CA ILE A 44 10.603 1.803 3.860 1.00 0.00 C ATOM 672 C ILE A 44 11.348 0.782 4.713 1.00 0.00 C ATOM 673 O ILE A 44 12.518 0.489 4.468 1.00 0.00 O ATOM 674 CB ILE A 44 10.107 2.947 4.765 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.580 4.106 3.916 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.225 3.421 5.681 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.165 5.311 4.730 1.00 0.00 C ATOM 0 H ILE A 44 8.575 1.445 3.471 1.00 0.00 H new ATOM 0 HA ILE A 44 11.282 2.211 3.111 1.00 0.00 H new ATOM 0 HB ILE A 44 9.291 2.573 5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.351 4.405 3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.726 3.760 3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.859 4.229 6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.559 2.593 6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.060 3.781 5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.802 6.093 4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.372 5.027 5.422 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.021 5.683 5.293 1.00 0.00 H new ATOM 689 N ARG A 45 10.661 0.242 5.715 1.00 0.00 N ATOM 690 CA ARG A 45 11.257 -0.747 6.604 1.00 0.00 C ATOM 691 C ARG A 45 10.179 -1.592 7.277 1.00 0.00 C ATOM 692 O ARG A 45 9.272 -1.062 7.919 1.00 0.00 O ATOM 693 CB ARG A 45 12.117 -0.059 7.665 1.00 0.00 C ATOM 694 CG ARG A 45 11.342 0.348 8.908 1.00 0.00 C ATOM 695 CD ARG A 45 12.079 1.417 9.699 1.00 0.00 C ATOM 696 NE ARG A 45 13.157 0.855 10.508 1.00 0.00 N ATOM 697 CZ ARG A 45 13.969 1.587 11.261 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.827 2.904 11.309 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.927 1.002 11.970 1.00 0.00 N ATOM 0 H ARG A 45 9.691 0.473 5.931 1.00 0.00 H new ATOM 0 HA ARG A 45 11.888 -1.403 6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.926 -0.729 7.955 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.578 0.827 7.228 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.359 0.720 8.619 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.179 -0.526 9.539 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.490 2.157 9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.374 1.939 10.346 1.00 0.00 H new ATOM 0 HE ARG A 45 13.294 -0.156 10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.092 3.358 10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.453 3.464 11.889 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.040 -0.011 11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.550 1.566 12.548 1.00 0.00 H new ATOM 713 N MET A 46 10.285 -2.908 7.126 1.00 0.00 N ATOM 714 CA MET A 46 9.320 -3.826 7.720 1.00 0.00 C ATOM 715 C MET A 46 9.445 -3.836 9.241 1.00 0.00 C ATOM 716 O MET A 46 10.463 -4.260 9.787 1.00 0.00 O ATOM 717 CB MET A 46 9.522 -5.239 7.170 1.00 0.00 C ATOM 718 CG MET A 46 8.844 -5.472 5.830 1.00 0.00 C ATOM 719 SD MET A 46 8.546 -7.219 5.497 1.00 0.00 S ATOM 720 CE MET A 46 7.181 -7.547 6.611 1.00 0.00 C ATOM 0 H MET A 46 11.029 -3.363 6.597 1.00 0.00 H new ATOM 0 HA MET A 46 8.319 -3.482 7.457 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.590 -5.430 7.066 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.138 -5.960 7.892 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.896 -4.935 5.809 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.464 -5.055 5.036 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.367 -8.476 7.150 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.087 -6.727 7.323 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.258 -7.638 6.038 1.00 0.00 H new ATOM 730 N VAL A 47 8.402 -3.367 9.919 1.00 0.00 N ATOM 731 CA VAL A 47 8.395 -3.323 11.376 1.00 0.00 C ATOM 732 C VAL A 47 8.075 -4.693 11.965 1.00 0.00 C ATOM 733 O VAL A 47 8.928 -5.329 12.585 1.00 0.00 O ATOM 734 CB VAL A 47 7.372 -2.299 11.902 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.393 -2.255 13.422 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.649 -0.922 11.317 1.00 0.00 C ATOM 0 H VAL A 47 7.551 -3.012 9.482 1.00 0.00 H new ATOM 0 HA VAL A 47 9.394 -3.020 11.688 1.00 0.00 H new ATOM 0 HB VAL A 47 6.377 -2.610 11.586 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.664 -1.526 13.775 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.143 -3.239 13.818 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.387 -1.968 13.764 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.917 -0.210 11.699 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.651 -0.600 11.602 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.578 -0.967 10.230 1.00 0.00 H new ATOM 746 N THR A 48 6.840 -5.142 11.768 1.00 0.00 N ATOM 747 CA THR A 48 6.406 -6.436 12.280 1.00 0.00 C ATOM 748 C THR A 48 5.910 -7.335 11.153 1.00 0.00 C ATOM 749 O THR A 48 5.919 -6.945 9.985 1.00 0.00 O ATOM 750 CB THR A 48 5.288 -6.279 13.327 1.00 0.00 C ATOM 751 OG1 THR A 48 4.166 -5.603 12.749 1.00 0.00 O ATOM 752 CG2 THR A 48 5.785 -5.504 14.538 1.00 0.00 C ATOM 0 H THR A 48 6.122 -4.628 11.257 1.00 0.00 H new ATOM 0 HA THR A 48 7.274 -6.896 12.753 1.00 0.00 H new ATOM 0 HB THR A 48 4.984 -7.274 13.652 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.336 -6.017 13.066 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.978 -5.406 15.264 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.620 -6.037 14.994 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.114 -4.513 14.226 1.00 0.00 H new ATOM 760 N ASP A 49 5.475 -8.538 11.511 1.00 0.00 N ATOM 761 CA ASP A 49 4.972 -9.492 10.529 1.00 0.00 C ATOM 762 C ASP A 49 3.619 -9.049 9.984 1.00 0.00 C ATOM 763 O ASP A 49 3.070 -9.668 9.072 1.00 0.00 O ATOM 764 CB ASP A 49 4.854 -10.884 11.153 1.00 0.00 C ATOM 765 CG ASP A 49 6.189 -11.599 11.232 1.00 0.00 C ATOM 766 OD1 ASP A 49 6.693 -12.032 10.174 1.00 0.00 O ATOM 767 OD2 ASP A 49 6.729 -11.724 12.350 1.00 0.00 O ATOM 0 H ASP A 49 5.460 -8.876 12.473 1.00 0.00 H new ATOM 0 HA ASP A 49 5.681 -9.532 9.702 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.433 -10.795 12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.158 -11.484 10.567 1.00 0.00 H new ATOM 772 N THR A 50 3.083 -7.971 10.549 1.00 0.00 N ATOM 773 CA THR A 50 1.792 -7.446 10.122 1.00 0.00 C ATOM 774 C THR A 50 1.891 -5.967 9.767 1.00 0.00 C ATOM 775 O THR A 50 1.118 -5.460 8.952 1.00 0.00 O ATOM 776 CB THR A 50 0.722 -7.628 11.215 1.00 0.00 C ATOM 777 OG1 THR A 50 1.147 -6.998 12.428 1.00 0.00 O ATOM 778 CG2 THR A 50 0.456 -9.104 11.470 1.00 0.00 C ATOM 0 H THR A 50 3.523 -7.445 11.304 1.00 0.00 H new ATOM 0 HA THR A 50 1.498 -8.011 9.238 1.00 0.00 H new ATOM 0 HB THR A 50 -0.201 -7.162 10.870 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.460 -7.117 13.117 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.303 -9.208 12.245 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.104 -9.574 10.552 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.376 -9.589 11.796 1.00 0.00 H new ATOM 786 N LEU A 51 2.847 -5.278 10.380 1.00 0.00 N ATOM 787 CA LEU A 51 3.049 -3.856 10.127 1.00 0.00 C ATOM 788 C LEU A 51 4.254 -3.629 9.221 1.00 0.00 C ATOM 789 O LEU A 51 5.179 -4.441 9.186 1.00 0.00 O ATOM 790 CB LEU A 51 3.239 -3.105 11.447 1.00 0.00 C ATOM 791 CG LEU A 51 2.137 -3.291 12.490 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.561 -2.699 13.825 1.00 0.00 C ATOM 793 CD2 LEU A 51 0.838 -2.659 12.012 1.00 0.00 C ATOM 0 H LEU A 51 3.495 -5.682 11.056 1.00 0.00 H new ATOM 0 HA LEU A 51 2.162 -3.473 9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.185 -3.419 11.888 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.327 -2.041 11.227 1.00 0.00 H new ATOM 0 HG LEU A 51 1.969 -4.359 12.627 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.764 -2.841 14.555 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.465 -3.198 14.173 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.758 -1.634 13.705 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.065 -2.801 12.767 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.992 -1.593 11.846 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.526 -3.130 11.080 1.00 0.00 H new ATOM 805 N VAL A 52 4.239 -2.518 8.491 1.00 0.00 N ATOM 806 CA VAL A 52 5.332 -2.182 7.587 1.00 0.00 C ATOM 807 C VAL A 52 5.393 -0.680 7.333 1.00 0.00 C ATOM 808 O VAL A 52 4.373 -0.043 7.073 1.00 0.00 O ATOM 809 CB VAL A 52 5.192 -2.915 6.240 1.00 0.00 C ATOM 810 CG1 VAL A 52 6.241 -2.424 5.253 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.297 -4.419 6.438 1.00 0.00 C ATOM 0 H VAL A 52 3.481 -1.835 8.508 1.00 0.00 H new ATOM 0 HA VAL A 52 6.254 -2.503 8.072 1.00 0.00 H new ATOM 0 HB VAL A 52 4.208 -2.694 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.126 -2.953 4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.113 -1.354 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.236 -2.612 5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.196 -4.921 5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.266 -4.662 6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.504 -4.754 7.107 1.00 0.00 H new ATOM 821 N GLU A 53 6.597 -0.121 7.409 1.00 0.00 N ATOM 822 CA GLU A 53 6.790 1.307 7.187 1.00 0.00 C ATOM 823 C GLU A 53 6.929 1.613 5.699 1.00 0.00 C ATOM 824 O GLU A 53 7.770 1.035 5.011 1.00 0.00 O ATOM 825 CB GLU A 53 8.029 1.800 7.938 1.00 0.00 C ATOM 826 CG GLU A 53 7.982 3.278 8.287 1.00 0.00 C ATOM 827 CD GLU A 53 9.004 3.661 9.340 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.210 2.870 10.284 1.00 0.00 O ATOM 829 OE2 GLU A 53 9.598 4.753 9.219 1.00 0.00 O ATOM 0 H GLU A 53 7.452 -0.635 7.622 1.00 0.00 H new ATOM 0 HA GLU A 53 5.912 1.829 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.141 1.222 8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.913 1.607 7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.156 3.866 7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.984 3.532 8.645 1.00 0.00 H new ATOM 836 N VAL A 54 6.096 2.525 5.207 1.00 0.00 N ATOM 837 CA VAL A 54 6.125 2.909 3.801 1.00 0.00 C ATOM 838 C VAL A 54 6.251 4.420 3.646 1.00 0.00 C ATOM 839 O VAL A 54 5.932 5.178 4.563 1.00 0.00 O ATOM 840 CB VAL A 54 4.860 2.432 3.063 1.00 0.00 C ATOM 841 CG1 VAL A 54 4.971 0.956 2.712 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.621 2.696 3.905 1.00 0.00 C ATOM 0 H VAL A 54 5.392 3.012 5.762 1.00 0.00 H new ATOM 0 HA VAL A 54 6.998 2.428 3.360 1.00 0.00 H new ATOM 0 HB VAL A 54 4.768 2.996 2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.068 0.637 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.836 0.799 2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.088 0.373 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.736 2.353 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.703 2.160 4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.535 3.765 4.100 1.00 0.00 H new ATOM 852 N LEU A 55 6.718 4.852 2.480 1.00 0.00 N ATOM 853 CA LEU A 55 6.886 6.275 2.203 1.00 0.00 C ATOM 854 C LEU A 55 5.970 6.721 1.068 1.00 0.00 C ATOM 855 O LEU A 55 6.079 6.235 -0.059 1.00 0.00 O ATOM 856 CB LEU A 55 8.343 6.576 1.847 1.00 0.00 C ATOM 857 CG LEU A 55 8.583 7.834 1.010 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.114 9.071 1.760 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.054 7.957 0.642 1.00 0.00 C ATOM 0 H LEU A 55 6.987 4.238 1.711 1.00 0.00 H new ATOM 0 HA LEU A 55 6.616 6.830 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.911 6.666 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.748 5.721 1.306 1.00 0.00 H new ATOM 0 HG LEU A 55 8.005 7.751 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.293 9.956 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.048 8.986 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.665 9.159 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.206 8.857 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.653 8.017 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.359 7.084 0.064 1.00 0.00 H new ATOM 871 N LEU A 56 5.070 7.649 1.371 1.00 0.00 N ATOM 872 CA LEU A 56 4.136 8.163 0.376 1.00 0.00 C ATOM 873 C LEU A 56 4.826 9.150 -0.560 1.00 0.00 C ATOM 874 O LEU A 56 4.311 10.238 -0.822 1.00 0.00 O ATOM 875 CB LEU A 56 2.949 8.840 1.063 1.00 0.00 C ATOM 876 CG LEU A 56 2.248 8.024 2.150 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.029 8.767 2.674 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.852 6.655 1.617 1.00 0.00 C ATOM 0 H LEU A 56 4.967 8.061 2.298 1.00 0.00 H new ATOM 0 HA LEU A 56 3.774 7.322 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.295 9.775 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.214 9.100 0.301 1.00 0.00 H new ATOM 0 HG LEU A 56 2.944 7.883 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.544 8.171 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.339 9.723 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.329 8.940 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.355 6.088 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.174 6.776 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.744 6.119 1.292 1.00 0.00 H new ATOM 890 N TYR A 57 5.993 8.763 -1.063 1.00 0.00 N ATOM 891 CA TYR A 57 6.754 9.614 -1.970 1.00 0.00 C ATOM 892 C TYR A 57 5.824 10.416 -2.875 1.00 0.00 C ATOM 893 O TYR A 57 6.085 11.580 -3.177 1.00 0.00 O ATOM 894 CB TYR A 57 7.704 8.768 -2.820 1.00 0.00 C ATOM 895 CG TYR A 57 6.998 7.755 -3.692 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.369 8.142 -4.869 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.960 6.412 -3.340 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.721 7.220 -5.669 1.00 0.00 C ATOM 899 CE2 TYR A 57 6.316 5.483 -4.134 1.00 0.00 C ATOM 900 CZ TYR A 57 5.698 5.892 -5.297 1.00 0.00 C ATOM 901 OH TYR A 57 5.055 4.970 -6.092 1.00 0.00 O ATOM 0 H TYR A 57 6.433 7.866 -0.858 1.00 0.00 H new ATOM 0 HA TYR A 57 7.337 10.311 -1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.297 9.428 -3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.400 8.247 -2.162 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.387 9.181 -5.164 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.442 6.088 -2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.236 7.537 -6.580 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.297 4.442 -3.846 1.00 0.00 H new ATOM 0 HH TYR A 57 5.132 4.080 -5.689 1.00 0.00 H new ATOM 911 N ASP A 58 4.736 9.785 -3.302 1.00 0.00 N ATOM 912 CA ASP A 58 3.764 10.439 -4.170 1.00 0.00 C ATOM 913 C ASP A 58 3.388 11.814 -3.627 1.00 0.00 C ATOM 914 O ASP A 58 3.417 12.809 -4.351 1.00 0.00 O ATOM 915 CB ASP A 58 2.511 9.573 -4.312 1.00 0.00 C ATOM 916 CG ASP A 58 1.600 10.051 -5.426 1.00 0.00 C ATOM 917 OD1 ASP A 58 1.374 11.276 -5.524 1.00 0.00 O ATOM 918 OD2 ASP A 58 1.113 9.201 -6.199 1.00 0.00 O ATOM 0 H ASP A 58 4.505 8.821 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 58 4.220 10.568 -5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.806 8.542 -4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.962 9.577 -3.371 1.00 0.00 H new ATOM 923 N VAL A 59 3.034 11.862 -2.346 1.00 0.00 N ATOM 924 CA VAL A 59 2.652 13.115 -1.705 1.00 0.00 C ATOM 925 C VAL A 59 3.815 13.703 -0.913 1.00 0.00 C ATOM 926 O VAL A 59 4.081 14.902 -0.981 1.00 0.00 O ATOM 927 CB VAL A 59 1.450 12.919 -0.762 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.237 12.429 -1.538 1.00 0.00 C ATOM 929 CG2 VAL A 59 1.804 11.953 0.358 1.00 0.00 C ATOM 0 H VAL A 59 3.004 11.048 -1.732 1.00 0.00 H new ATOM 0 HA VAL A 59 2.371 13.806 -2.500 1.00 0.00 H new ATOM 0 HB VAL A 59 1.200 13.881 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.602 12.296 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.028 13.162 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.471 11.477 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.943 11.826 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.081 10.988 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.642 12.351 0.931 1.00 0.00 H new ATOM 939 N GLY A 60 4.505 12.850 -0.163 1.00 0.00 N ATOM 940 CA GLY A 60 5.632 13.304 0.631 1.00 0.00 C ATOM 941 C GLY A 60 5.372 13.196 2.121 1.00 0.00 C ATOM 942 O GLY A 60 5.580 14.153 2.866 1.00 0.00 O ATOM 0 H GLY A 60 4.304 11.853 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.513 12.716 0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.856 14.340 0.379 1.00 0.00 H new ATOM 946 N VAL A 61 4.914 12.026 2.557 1.00 0.00 N ATOM 947 CA VAL A 61 4.625 11.796 3.967 1.00 0.00 C ATOM 948 C VAL A 61 5.102 10.417 4.408 1.00 0.00 C ATOM 949 O VAL A 61 4.743 9.405 3.808 1.00 0.00 O ATOM 950 CB VAL A 61 3.118 11.924 4.259 1.00 0.00 C ATOM 951 CG1 VAL A 61 2.794 11.383 5.644 1.00 0.00 C ATOM 952 CG2 VAL A 61 2.671 13.372 4.126 1.00 0.00 C ATOM 0 H VAL A 61 4.735 11.223 1.954 1.00 0.00 H new ATOM 0 HA VAL A 61 5.163 12.560 4.529 1.00 0.00 H new ATOM 0 HB VAL A 61 2.572 11.330 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.725 11.482 5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.076 10.332 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.348 11.947 6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.604 13.444 4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.223 13.990 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.866 13.721 3.112 1.00 0.00 H new ATOM 962 N GLU A 62 5.912 10.386 5.462 1.00 0.00 N ATOM 963 CA GLU A 62 6.438 9.130 5.983 1.00 0.00 C ATOM 964 C GLU A 62 5.511 8.552 7.049 1.00 0.00 C ATOM 965 O GLU A 62 5.267 9.178 8.081 1.00 0.00 O ATOM 966 CB GLU A 62 7.837 9.340 6.567 1.00 0.00 C ATOM 967 CG GLU A 62 8.827 9.931 5.578 1.00 0.00 C ATOM 968 CD GLU A 62 9.914 10.743 6.255 1.00 0.00 C ATOM 969 OE1 GLU A 62 9.574 11.715 6.962 1.00 0.00 O ATOM 970 OE2 GLU A 62 11.103 10.407 6.078 1.00 0.00 O ATOM 0 H GLU A 62 6.218 11.215 5.971 1.00 0.00 H new ATOM 0 HA GLU A 62 6.500 8.421 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.765 9.998 7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.220 8.384 6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.285 9.126 5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.293 10.565 4.870 1.00 0.00 H new ATOM 977 N LEU A 63 4.998 7.354 6.791 1.00 0.00 N ATOM 978 CA LEU A 63 4.097 6.691 7.728 1.00 0.00 C ATOM 979 C LEU A 63 4.202 5.174 7.602 1.00 0.00 C ATOM 980 O LEU A 63 4.904 4.660 6.732 1.00 0.00 O ATOM 981 CB LEU A 63 2.655 7.136 7.481 1.00 0.00 C ATOM 982 CG LEU A 63 1.835 6.262 6.531 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.438 6.834 6.349 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.539 6.129 5.188 1.00 0.00 C ATOM 0 H LEU A 63 5.190 6.822 5.942 1.00 0.00 H new ATOM 0 HA LEU A 63 4.390 6.975 8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.139 7.177 8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.672 8.151 7.085 1.00 0.00 H new ATOM 0 HG LEU A 63 1.743 5.269 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.130 6.198 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.067 6.876 7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.508 7.839 5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.942 5.504 4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.663 7.116 4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.518 5.672 5.334 1.00 0.00 H new ATOM 996 N VAL A 64 3.497 4.463 8.477 1.00 0.00 N ATOM 997 CA VAL A 64 3.507 3.005 8.462 1.00 0.00 C ATOM 998 C VAL A 64 2.091 2.445 8.530 1.00 0.00 C ATOM 999 O VAL A 64 1.301 2.828 9.394 1.00 0.00 O ATOM 1000 CB VAL A 64 4.330 2.438 9.634 1.00 0.00 C ATOM 1001 CG1 VAL A 64 3.872 3.047 10.951 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.225 0.921 9.673 1.00 0.00 C ATOM 0 H VAL A 64 2.912 4.873 9.205 1.00 0.00 H new ATOM 0 HA VAL A 64 3.969 2.701 7.523 1.00 0.00 H new ATOM 0 HB VAL A 64 5.377 2.703 9.483 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.464 2.635 11.768 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.004 4.128 10.917 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.819 2.814 11.113 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.812 0.537 10.507 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.182 0.632 9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.605 0.506 8.740 1.00 0.00 H new ATOM 1012 N VAL A 65 1.776 1.534 7.615 1.00 0.00 N ATOM 1013 CA VAL A 65 0.455 0.918 7.572 1.00 0.00 C ATOM 1014 C VAL A 65 0.550 -0.597 7.713 1.00 0.00 C ATOM 1015 O VAL A 65 1.642 -1.164 7.698 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.279 1.256 6.261 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.199 2.747 5.972 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.296 0.449 5.106 1.00 0.00 C ATOM 0 H VAL A 65 2.418 1.206 6.893 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.111 1.323 8.411 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.330 0.989 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.723 2.966 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.662 3.301 6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.846 3.044 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.234 0.700 4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.354 0.683 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.180 -0.615 5.312 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.601 -1.246 7.850 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.648 -2.697 7.994 1.00 0.00 C ATOM 1030 C ASN A 66 -0.588 -3.381 6.632 1.00 0.00 C ATOM 1031 O ASN A 66 -1.251 -2.961 5.684 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.922 -3.116 8.731 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.744 -4.409 9.503 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -0.747 -4.596 10.201 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.712 -5.310 9.379 1.00 0.00 N ATOM 0 H ASN A 66 -1.514 -0.791 7.864 1.00 0.00 H new ATOM 0 HA ASN A 66 0.220 -3.008 8.576 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.218 -2.324 9.418 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.733 -3.234 8.012 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.647 -6.200 9.873 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.520 -5.112 8.789 1.00 0.00 H new ATOM 1042 N VAL A 67 0.213 -4.438 6.542 1.00 0.00 N ATOM 1043 CA VAL A 67 0.359 -5.182 5.296 1.00 0.00 C ATOM 1044 C VAL A 67 -0.998 -5.611 4.749 1.00 0.00 C ATOM 1045 O VAL A 67 -1.215 -5.620 3.538 1.00 0.00 O ATOM 1046 CB VAL A 67 1.241 -6.431 5.489 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.666 -6.030 5.836 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.656 -7.335 6.564 1.00 0.00 C ATOM 0 H VAL A 67 0.770 -4.798 7.316 1.00 0.00 H new ATOM 0 HA VAL A 67 0.840 -4.513 4.582 1.00 0.00 H new ATOM 0 HB VAL A 67 1.264 -6.987 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.274 -6.925 5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.081 -5.426 5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.666 -5.451 6.760 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.291 -8.212 6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.602 -6.791 7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.345 -7.651 6.269 1.00 0.00 H new ATOM 1058 N ASP A 68 -1.907 -5.965 5.650 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.245 -6.394 5.259 1.00 0.00 C ATOM 1060 C ASP A 68 -3.939 -5.319 4.428 1.00 0.00 C ATOM 1061 O ASP A 68 -4.878 -5.605 3.685 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.082 -6.719 6.497 1.00 0.00 C ATOM 1063 CG ASP A 68 -4.840 -5.513 7.016 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -4.285 -4.396 6.963 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -5.988 -5.686 7.477 1.00 0.00 O ATOM 0 H ASP A 68 -1.742 -5.964 6.657 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.148 -7.293 4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.789 -7.513 6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.430 -7.101 7.283 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.470 -4.083 4.560 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.047 -2.964 3.823 1.00 0.00 C ATOM 1072 C CYS A 69 -3.253 -2.684 2.551 1.00 0.00 C ATOM 1073 O CYS A 69 -3.771 -2.101 1.598 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.085 -1.713 4.701 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.601 -1.538 5.672 1.00 0.00 S ATOM 0 H CYS A 69 -2.692 -3.830 5.170 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.065 -3.232 3.542 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.232 -1.732 5.379 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.969 -0.834 4.067 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.726 -2.557 6.469 1.00 0.00 H new ATOM 1081 N LEU A 70 -1.991 -3.100 2.544 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.124 -2.893 1.390 1.00 0.00 C ATOM 1083 C LEU A 70 -1.578 -3.742 0.207 1.00 0.00 C ATOM 1084 O LEU A 70 -2.184 -4.798 0.385 1.00 0.00 O ATOM 1085 CB LEU A 70 0.324 -3.231 1.749 1.00 0.00 C ATOM 1086 CG LEU A 70 1.020 -2.268 2.711 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.419 -2.764 3.044 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.076 -0.868 2.118 1.00 0.00 C ATOM 0 H LEU A 70 -1.546 -3.583 3.325 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.186 -1.843 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.345 -4.229 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.905 -3.275 0.828 1.00 0.00 H new ATOM 0 HG LEU A 70 0.442 -2.227 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.899 -2.066 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.355 -3.746 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.007 -2.836 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.575 -0.197 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.630 -0.892 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.063 -0.511 1.932 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.280 -3.273 -1.000 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.657 -3.990 -2.213 1.00 0.00 C ATOM 1102 C ARG A 71 -0.547 -3.914 -3.256 1.00 0.00 C ATOM 1103 O ARG A 71 0.133 -2.896 -3.384 1.00 0.00 O ATOM 1104 CB ARG A 71 -2.953 -3.414 -2.788 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.205 -3.902 -2.077 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.728 -5.191 -2.691 1.00 0.00 C ATOM 1107 NE ARG A 71 -3.932 -6.349 -2.293 1.00 0.00 N ATOM 1108 CZ ARG A 71 -3.868 -6.804 -1.047 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -4.550 -6.202 -0.082 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -3.121 -7.863 -0.763 1.00 0.00 N ATOM 0 H ARG A 71 -0.779 -2.400 -1.164 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.816 -5.037 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.914 -2.326 -2.731 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.020 -3.676 -3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.986 -4.063 -1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.977 -3.134 -2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.764 -5.342 -2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.722 -5.103 -3.777 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.396 -6.835 -3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.125 -5.387 -0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.499 -6.554 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.595 -8.329 -1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.073 -8.211 0.195 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.368 -5.000 -4.001 1.00 0.00 N ATOM 1125 CA LYS A 72 0.659 -5.059 -5.035 1.00 0.00 C ATOM 1126 C LYS A 72 0.312 -4.137 -6.199 1.00 0.00 C ATOM 1127 O LYS A 72 -0.785 -4.207 -6.755 1.00 0.00 O ATOM 1128 CB LYS A 72 0.824 -6.494 -5.538 1.00 0.00 C ATOM 1129 CG LYS A 72 1.445 -7.430 -4.516 1.00 0.00 C ATOM 1130 CD LYS A 72 1.024 -8.871 -4.750 1.00 0.00 C ATOM 1131 CE LYS A 72 1.680 -9.448 -5.996 1.00 0.00 C ATOM 1132 NZ LYS A 72 2.989 -10.087 -5.687 1.00 0.00 N ATOM 0 H LYS A 72 -0.921 -5.852 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 72 1.600 -4.724 -4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.152 -6.883 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.443 -6.487 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.531 -7.355 -4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.150 -7.122 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.292 -9.475 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.060 -8.923 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.015 -10.183 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.827 -8.655 -6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.404 -10.468 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.632 -9.380 -5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.846 -10.860 -5.006 1.00 0.00 H new ATOM 1146 N LEU A 73 1.254 -3.274 -6.566 1.00 0.00 N ATOM 1147 CA LEU A 73 1.048 -2.339 -7.666 1.00 0.00 C ATOM 1148 C LEU A 73 1.139 -3.053 -9.012 1.00 0.00 C ATOM 1149 O LEU A 73 2.231 -3.324 -9.508 1.00 0.00 O ATOM 1150 CB LEU A 73 2.080 -1.212 -7.604 1.00 0.00 C ATOM 1151 CG LEU A 73 1.711 0.077 -8.339 1.00 0.00 C ATOM 1152 CD1 LEU A 73 0.940 1.013 -7.421 1.00 0.00 C ATOM 1153 CD2 LEU A 73 2.961 0.762 -8.874 1.00 0.00 C ATOM 0 H LEU A 73 2.167 -3.203 -6.118 1.00 0.00 H new ATOM 0 HA LEU A 73 0.049 -1.915 -7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.262 -0.970 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.019 -1.584 -8.013 1.00 0.00 H new ATOM 0 HG LEU A 73 1.071 -0.179 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.686 1.925 -7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.026 0.523 -7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.555 1.263 -6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.680 1.678 -9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.626 1.005 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.474 0.094 -9.566 1.00 0.00 H new ATOM 1165 N GLU A 74 -0.017 -3.351 -9.597 1.00 0.00 N ATOM 1166 CA GLU A 74 -0.067 -4.032 -10.885 1.00 0.00 C ATOM 1167 C GLU A 74 0.692 -3.242 -11.947 1.00 0.00 C ATOM 1168 O GLU A 74 1.314 -2.223 -11.650 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.519 -4.235 -11.324 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.288 -5.212 -10.452 1.00 0.00 C ATOM 1171 CD GLU A 74 -3.512 -5.776 -11.147 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -3.346 -6.661 -12.013 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -4.634 -5.333 -10.827 1.00 0.00 O ATOM 0 H GLU A 74 -0.930 -3.132 -9.200 1.00 0.00 H new ATOM 0 HA GLU A 74 0.409 -5.006 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.030 -3.272 -11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.532 -4.592 -12.354 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.629 -6.031 -10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.595 -4.710 -9.534 1.00 0.00 H new ATOM 1180 N GLU A 75 0.636 -3.722 -13.186 1.00 0.00 N ATOM 1181 CA GLU A 75 1.319 -3.061 -14.292 1.00 0.00 C ATOM 1182 C GLU A 75 0.368 -2.134 -15.043 1.00 0.00 C ATOM 1183 O GLU A 75 0.760 -1.059 -15.495 1.00 0.00 O ATOM 1184 CB GLU A 75 1.902 -4.099 -15.253 1.00 0.00 C ATOM 1185 CG GLU A 75 2.679 -3.490 -16.408 1.00 0.00 C ATOM 1186 CD GLU A 75 3.365 -4.535 -17.266 1.00 0.00 C ATOM 1187 OE1 GLU A 75 4.343 -5.147 -16.786 1.00 0.00 O ATOM 1188 OE2 GLU A 75 2.925 -4.742 -18.416 1.00 0.00 O ATOM 0 H GLU A 75 0.125 -4.565 -13.448 1.00 0.00 H new ATOM 0 HA GLU A 75 2.131 -2.462 -13.879 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.559 -4.768 -14.697 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.091 -4.708 -15.653 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.001 -2.904 -17.028 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.426 -2.801 -16.015 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.885 -2.559 -15.172 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.893 -1.768 -15.869 1.00 0.00 C ATOM 1197 C ASN A 76 -2.133 -0.441 -15.154 1.00 0.00 C ATOM 1198 O ASN A 76 -2.146 0.620 -15.780 1.00 0.00 O ATOM 1199 CB ASN A 76 -3.204 -2.550 -15.971 1.00 0.00 C ATOM 1200 CG ASN A 76 -4.049 -2.110 -17.150 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -3.805 -1.061 -17.747 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -5.051 -2.912 -17.492 1.00 0.00 N ATOM 0 H ASN A 76 -1.226 -3.447 -14.803 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.524 -1.558 -16.873 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.983 -3.614 -16.062 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.774 -2.421 -15.051 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.654 -2.668 -18.277 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.217 -3.772 -16.969 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.322 -0.509 -13.841 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.561 0.687 -13.040 1.00 0.00 C ATOM 1211 C LEU A 77 -1.262 1.449 -12.798 1.00 0.00 C ATOM 1212 O LEU A 77 -1.275 2.585 -12.325 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.201 0.309 -11.704 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.385 -0.656 -11.775 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -4.707 -1.208 -10.395 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.602 0.036 -12.372 1.00 0.00 C ATOM 0 H LEU A 77 -2.314 -1.379 -13.308 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.242 1.335 -13.592 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.434 -0.135 -11.069 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.532 1.223 -11.211 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.112 -1.489 -12.422 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.552 -1.893 -10.465 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.840 -1.741 -10.005 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.960 -0.387 -9.725 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.435 -0.666 -12.415 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.877 0.888 -11.751 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.367 0.382 -13.379 1.00 0.00 H new