USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 561 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 61 THR OG1 : rot 139:sc= 0.161 USER MOD Set 1.2: A 68 GLN : amide:sc= -3.27 K(o=-3.1,f=-5.7!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 179:sc= -0.283 (180deg=-0.357) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0.00639 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.322 USER MOD Single : A 17 ASN : amide:sc= 0.411 K(o=0.41,f=-0.4) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -12.4! C(o=-15!,f=-12!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 143:sc= 0.353 (180deg=0.0124) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.207 USER MOD Single : A 46 GLN : amide:sc= -0.0335 X(o=-0.034,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -2.15! (180deg=-2.57!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -149:sc= -0.341 (180deg=-1.36!) USER MOD Single : A 75 SER OG : rot -73:sc= 1.45 USER MOD Single : A 77 GLN :FLIP amide:sc= -1.68 F(o=-8.1!,f=-1.7) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 5:sc= 0.162 USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00713 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.367 -5.419 -2.618 1.00 0.00 N ATOM 91 CA VAL A 7 -14.523 -4.154 -1.915 1.00 0.00 C ATOM 92 C VAL A 7 -13.626 -3.049 -2.489 1.00 0.00 C ATOM 93 O VAL A 7 -14.135 -2.079 -3.048 1.00 0.00 O ATOM 94 CB VAL A 7 -14.289 -4.287 -0.383 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.439 -3.644 0.378 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.135 -5.746 0.035 1.00 0.00 C ATOM 0 HA VAL A 7 -15.562 -3.865 -2.073 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.361 -3.770 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.266 -3.742 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.503 -2.588 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.373 -4.141 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.973 -5.801 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.039 -6.296 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.282 -6.185 -0.483 1.00 0.00 H new ATOM 106 N PRO A 8 -12.287 -3.138 -2.331 1.00 0.00 N ATOM 107 CA PRO A 8 -11.366 -2.118 -2.801 1.00 0.00 C ATOM 108 C PRO A 8 -10.530 -2.554 -4.022 1.00 0.00 C ATOM 109 O PRO A 8 -11.073 -2.830 -5.092 1.00 0.00 O ATOM 110 CB PRO A 8 -10.505 -1.990 -1.551 1.00 0.00 C ATOM 111 CG PRO A 8 -10.330 -3.414 -1.104 1.00 0.00 C ATOM 112 CD PRO A 8 -11.523 -4.187 -1.644 1.00 0.00 C ATOM 0 HA PRO A 8 -11.845 -1.206 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.548 -1.516 -1.769 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.993 -1.386 -0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.396 -3.828 -1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.287 -3.477 -0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.219 -4.982 -2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.100 -4.655 -0.846 1.00 0.00 H new ATOM 120 N LEU A 9 -9.204 -2.596 -3.847 1.00 0.00 N ATOM 121 CA LEU A 9 -8.267 -2.972 -4.904 1.00 0.00 C ATOM 122 C LEU A 9 -8.530 -4.378 -5.435 1.00 0.00 C ATOM 123 O LEU A 9 -8.543 -5.349 -4.677 1.00 0.00 O ATOM 124 CB LEU A 9 -6.840 -2.899 -4.332 1.00 0.00 C ATOM 125 CG LEU A 9 -5.652 -3.051 -5.311 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.057 -3.709 -6.616 1.00 0.00 C ATOM 127 CD2 LEU A 9 -5.003 -1.706 -5.588 1.00 0.00 C ATOM 0 H LEU A 9 -8.752 -2.368 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.394 -2.283 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.733 -1.940 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.746 -3.674 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.929 -3.705 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.187 -3.792 -7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.455 -4.703 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.821 -3.105 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.170 -1.839 -6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.737 -1.032 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.635 -1.280 -4.654 1.00 0.00 H new ATOM 139 N THR A 10 -8.685 -4.483 -6.753 1.00 0.00 N ATOM 140 CA THR A 10 -8.883 -5.771 -7.397 1.00 0.00 C ATOM 141 C THR A 10 -7.557 -6.250 -7.980 1.00 0.00 C ATOM 142 O THR A 10 -6.942 -5.562 -8.794 1.00 0.00 O ATOM 143 CB THR A 10 -9.935 -5.686 -8.499 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.219 -5.438 -7.954 1.00 0.00 O ATOM 145 CG2 THR A 10 -10.022 -6.952 -9.328 1.00 0.00 C ATOM 0 H THR A 10 -8.677 -3.689 -7.393 1.00 0.00 H new ATOM 0 HA THR A 10 -9.240 -6.480 -6.650 1.00 0.00 H new ATOM 0 HB THR A 10 -9.620 -4.864 -9.142 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.877 -5.386 -8.678 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.787 -6.832 -10.096 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.059 -7.144 -9.802 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.283 -7.792 -8.684 1.00 0.00 H new ATOM 153 N PHE A 11 -7.118 -7.419 -7.546 1.00 0.00 N ATOM 154 CA PHE A 11 -5.858 -7.984 -8.008 1.00 0.00 C ATOM 155 C PHE A 11 -6.058 -8.829 -9.269 1.00 0.00 C ATOM 156 O PHE A 11 -7.174 -8.954 -9.772 1.00 0.00 O ATOM 157 CB PHE A 11 -5.237 -8.820 -6.892 1.00 0.00 C ATOM 158 CG PHE A 11 -5.878 -10.152 -6.736 1.00 0.00 C ATOM 159 CD1 PHE A 11 -7.089 -10.288 -6.082 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.269 -11.266 -7.259 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.679 -11.526 -5.956 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.847 -12.504 -7.141 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.057 -12.637 -6.489 1.00 0.00 C ATOM 0 H PHE A 11 -7.617 -7.999 -6.871 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.183 -7.168 -8.266 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.175 -8.956 -7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.314 -8.274 -5.952 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.575 -9.417 -5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.323 -11.166 -7.770 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.624 -11.627 -5.443 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.357 -13.372 -7.557 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.517 -13.610 -6.396 1.00 0.00 H new ATOM 173 N THR A 12 -4.967 -9.399 -9.777 1.00 0.00 N ATOM 174 CA THR A 12 -5.027 -10.226 -10.987 1.00 0.00 C ATOM 175 C THR A 12 -5.367 -11.679 -10.651 1.00 0.00 C ATOM 176 O THR A 12 -5.889 -11.969 -9.585 1.00 0.00 O ATOM 177 CB THR A 12 -3.695 -10.159 -11.742 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.863 -10.577 -13.089 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.609 -11.012 -11.120 1.00 0.00 C ATOM 0 H THR A 12 -4.034 -9.306 -9.374 1.00 0.00 H new ATOM 0 HA THR A 12 -5.819 -9.831 -11.623 1.00 0.00 H new ATOM 0 HB THR A 12 -3.382 -9.116 -11.690 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.003 -10.526 -13.557 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.693 -10.918 -11.704 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.424 -10.678 -10.099 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.927 -12.055 -11.109 1.00 0.00 H new ATOM 187 N ASP A 13 -5.071 -12.590 -11.570 1.00 0.00 N ATOM 188 CA ASP A 13 -5.337 -14.007 -11.355 1.00 0.00 C ATOM 189 C ASP A 13 -4.128 -14.701 -10.743 1.00 0.00 C ATOM 190 O ASP A 13 -4.256 -15.532 -9.846 1.00 0.00 O ATOM 191 CB ASP A 13 -5.703 -14.679 -12.676 1.00 0.00 C ATOM 192 CG ASP A 13 -6.945 -14.080 -13.308 1.00 0.00 C ATOM 193 OD1 ASP A 13 -8.061 -14.464 -12.901 1.00 0.00 O ATOM 194 OD2 ASP A 13 -6.800 -13.227 -14.208 1.00 0.00 O ATOM 0 H ASP A 13 -4.646 -12.373 -12.472 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.174 -14.093 -10.662 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.867 -14.589 -13.370 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.863 -15.744 -12.506 1.00 0.00 H new ATOM 199 N ALA A 14 -2.955 -14.361 -11.254 1.00 0.00 N ATOM 200 CA ALA A 14 -1.710 -14.952 -10.787 1.00 0.00 C ATOM 201 C ALA A 14 -1.473 -14.667 -9.313 1.00 0.00 C ATOM 202 O ALA A 14 -1.060 -15.553 -8.565 1.00 0.00 O ATOM 203 CB ALA A 14 -0.545 -14.451 -11.621 1.00 0.00 C ATOM 0 H ALA A 14 -2.839 -13.673 -11.998 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.789 -16.033 -10.903 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.380 -14.901 -11.261 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.700 -14.725 -12.664 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.478 -13.366 -11.537 1.00 0.00 H new ATOM 209 N ALA A 15 -1.747 -13.439 -8.882 1.00 0.00 N ATOM 210 CA ALA A 15 -1.568 -13.096 -7.481 1.00 0.00 C ATOM 211 C ALA A 15 -2.303 -14.118 -6.628 1.00 0.00 C ATOM 212 O ALA A 15 -1.854 -14.489 -5.543 1.00 0.00 O ATOM 213 CB ALA A 15 -2.043 -11.678 -7.201 1.00 0.00 C ATOM 0 H ALA A 15 -2.087 -12.680 -9.472 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.508 -13.124 -7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.898 -11.447 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.471 -10.976 -7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.101 -11.593 -7.449 1.00 0.00 H new ATOM 219 N ALA A 16 -3.413 -14.616 -7.168 1.00 0.00 N ATOM 220 CA ALA A 16 -4.186 -15.649 -6.500 1.00 0.00 C ATOM 221 C ALA A 16 -3.402 -16.945 -6.533 1.00 0.00 C ATOM 222 O ALA A 16 -3.322 -17.677 -5.548 1.00 0.00 O ATOM 223 CB ALA A 16 -5.513 -15.857 -7.204 1.00 0.00 C ATOM 0 H ALA A 16 -3.794 -14.318 -8.066 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.376 -15.343 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.079 -16.634 -6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.081 -14.927 -7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.334 -16.160 -8.236 1.00 0.00 H new ATOM 229 N ASN A 17 -2.829 -17.209 -7.702 1.00 0.00 N ATOM 230 CA ASN A 17 -2.043 -18.401 -7.932 1.00 0.00 C ATOM 231 C ASN A 17 -0.888 -18.508 -6.941 1.00 0.00 C ATOM 232 O ASN A 17 -0.627 -19.585 -6.399 1.00 0.00 O ATOM 233 CB ASN A 17 -1.504 -18.400 -9.366 1.00 0.00 C ATOM 234 CG ASN A 17 -2.553 -18.784 -10.386 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.488 -19.859 -10.986 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.527 -17.913 -10.593 1.00 0.00 N ATOM 0 H ASN A 17 -2.901 -16.597 -8.515 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.691 -19.265 -7.786 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.118 -17.409 -9.604 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.666 -19.093 -9.435 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.261 -18.120 -11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.544 -17.034 -10.075 1.00 0.00 H new ATOM 243 N LYS A 18 -0.201 -17.399 -6.701 1.00 0.00 N ATOM 244 CA LYS A 18 0.915 -17.386 -5.768 1.00 0.00 C ATOM 245 C LYS A 18 0.451 -17.848 -4.392 1.00 0.00 C ATOM 246 O LYS A 18 1.214 -18.441 -3.631 1.00 0.00 O ATOM 247 CB LYS A 18 1.522 -15.978 -5.691 1.00 0.00 C ATOM 248 CG LYS A 18 2.332 -15.712 -4.431 1.00 0.00 C ATOM 249 CD LYS A 18 1.452 -15.192 -3.307 1.00 0.00 C ATOM 250 CE LYS A 18 2.271 -14.543 -2.203 1.00 0.00 C ATOM 251 NZ LYS A 18 2.621 -13.134 -2.525 1.00 0.00 N ATOM 0 H LYS A 18 -0.397 -16.499 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 18 1.683 -18.073 -6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.162 -15.823 -6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.718 -15.245 -5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.826 -16.630 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.116 -14.986 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.742 -14.468 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.869 -16.014 -2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.709 -14.573 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.184 -15.116 -2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.165 -12.723 -1.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.193 -13.108 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.750 -12.584 -2.668 1.00 0.00 H new ATOM 265 N VAL A 19 -0.810 -17.565 -4.084 1.00 0.00 N ATOM 266 CA VAL A 19 -1.393 -17.938 -2.807 1.00 0.00 C ATOM 267 C VAL A 19 -1.865 -19.388 -2.809 1.00 0.00 C ATOM 268 O VAL A 19 -1.293 -20.229 -2.129 1.00 0.00 O ATOM 269 CB VAL A 19 -2.581 -17.016 -2.467 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.206 -17.397 -1.132 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.139 -15.563 -2.462 1.00 0.00 C ATOM 0 H VAL A 19 -1.450 -17.075 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.616 -17.828 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.342 -17.143 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.041 -16.730 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.565 -18.425 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.460 -17.309 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.989 -14.925 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.357 -15.423 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.754 -15.297 -3.446 1.00 0.00 H new ATOM 281 N LYS A 20 -2.916 -19.653 -3.572 1.00 0.00 N ATOM 282 CA LYS A 20 -3.495 -20.990 -3.669 1.00 0.00 C ATOM 283 C LYS A 20 -2.457 -22.051 -4.006 1.00 0.00 C ATOM 284 O LYS A 20 -2.698 -23.243 -3.813 1.00 0.00 O ATOM 285 CB LYS A 20 -4.574 -21.016 -4.748 1.00 0.00 C ATOM 286 CG LYS A 20 -4.186 -20.270 -6.013 1.00 0.00 C ATOM 287 CD LYS A 20 -4.106 -21.211 -7.211 1.00 0.00 C ATOM 288 CE LYS A 20 -2.747 -21.878 -7.301 1.00 0.00 C ATOM 289 NZ LYS A 20 -2.603 -22.682 -8.552 1.00 0.00 N ATOM 0 H LYS A 20 -3.391 -18.952 -4.140 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.917 -21.219 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.798 -22.052 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.489 -20.581 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.916 -19.485 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.223 -19.780 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.882 -21.972 -7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.301 -20.653 -8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.966 -21.118 -7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.602 -22.524 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.661 -23.122 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.332 -23.424 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.716 -22.061 -9.379 1.00 0.00 H new ATOM 303 N SER A 21 -1.328 -21.633 -4.553 1.00 0.00 N ATOM 304 CA SER A 21 -0.297 -22.573 -4.958 1.00 0.00 C ATOM 305 C SER A 21 0.646 -22.941 -3.823 1.00 0.00 C ATOM 306 O SER A 21 0.974 -24.113 -3.635 1.00 0.00 O ATOM 307 CB SER A 21 0.502 -22.015 -6.136 1.00 0.00 C ATOM 308 OG SER A 21 1.527 -22.916 -6.529 1.00 0.00 O ATOM 0 H SER A 21 -1.103 -20.653 -4.726 1.00 0.00 H new ATOM 0 HA SER A 21 -0.810 -23.486 -5.260 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.166 -21.829 -6.977 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.942 -21.057 -5.860 1.00 0.00 H new ATOM 0 HG SER A 21 2.023 -22.538 -7.285 1.00 0.00 H new ATOM 314 N LEU A 22 1.093 -21.948 -3.070 1.00 0.00 N ATOM 315 CA LEU A 22 2.010 -22.203 -1.970 1.00 0.00 C ATOM 316 C LEU A 22 1.245 -22.606 -0.717 1.00 0.00 C ATOM 317 O LEU A 22 1.778 -23.306 0.142 1.00 0.00 O ATOM 318 CB LEU A 22 2.932 -20.993 -1.730 1.00 0.00 C ATOM 319 CG LEU A 22 2.598 -20.074 -0.546 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.238 -19.436 -0.738 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.668 -20.816 0.783 1.00 0.00 C ATOM 0 H LEU A 22 0.839 -20.968 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 22 2.653 -23.041 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.947 -21.365 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.935 -20.387 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 22 3.351 -19.286 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.017 -18.788 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.239 -18.846 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.478 -20.214 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.425 -20.131 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.955 -21.640 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.674 -21.209 0.928 1.00 0.00 H new ATOM 333 N ILE A 23 -0.010 -22.180 -0.620 1.00 0.00 N ATOM 334 CA ILE A 23 -0.825 -22.532 0.520 1.00 0.00 C ATOM 335 C ILE A 23 -1.219 -23.990 0.436 1.00 0.00 C ATOM 336 O ILE A 23 -1.057 -24.758 1.387 1.00 0.00 O ATOM 337 CB ILE A 23 -2.078 -21.658 0.604 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.881 -21.760 -0.683 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.695 -20.225 0.864 1.00 0.00 C ATOM 340 CD1 ILE A 23 -4.006 -22.764 -0.625 1.00 0.00 C ATOM 0 H ILE A 23 -0.475 -21.596 -1.315 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.237 -22.362 1.422 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.695 -22.013 1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.294 -20.780 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.209 -22.029 -1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.595 -19.613 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.150 -20.159 1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.062 -19.865 0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.531 -22.778 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.600 -23.754 -0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.701 -22.486 0.167 1.00 0.00 H new ATOM 352 N SER A 24 -1.694 -24.388 -0.736 1.00 0.00 N ATOM 353 CA SER A 24 -2.069 -25.763 -0.980 1.00 0.00 C ATOM 354 C SER A 24 -0.849 -26.653 -0.799 1.00 0.00 C ATOM 355 O SER A 24 -0.962 -27.840 -0.518 1.00 0.00 O ATOM 356 CB SER A 24 -2.616 -25.909 -2.396 1.00 0.00 C ATOM 357 OG SER A 24 -2.888 -27.270 -2.704 1.00 0.00 O ATOM 0 H SER A 24 -1.827 -23.768 -1.535 1.00 0.00 H new ATOM 0 HA SER A 24 -2.844 -26.061 -0.274 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.528 -25.321 -2.499 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.896 -25.509 -3.110 1.00 0.00 H new ATOM 0 HG SER A 24 -3.239 -27.335 -3.617 1.00 0.00 H new ATOM 363 N GLU A 25 0.322 -26.040 -0.949 1.00 0.00 N ATOM 364 CA GLU A 25 1.580 -26.738 -0.795 1.00 0.00 C ATOM 365 C GLU A 25 1.958 -26.809 0.677 1.00 0.00 C ATOM 366 O GLU A 25 2.764 -27.654 1.075 1.00 0.00 O ATOM 367 CB GLU A 25 2.685 -26.038 -1.589 1.00 0.00 C ATOM 368 CG GLU A 25 3.545 -26.992 -2.402 1.00 0.00 C ATOM 369 CD GLU A 25 4.898 -27.239 -1.763 1.00 0.00 C ATOM 370 OE1 GLU A 25 4.951 -27.969 -0.755 1.00 0.00 O ATOM 371 OE2 GLU A 25 5.904 -26.704 -2.276 1.00 0.00 O ATOM 0 H GLU A 25 0.418 -25.051 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 25 1.465 -27.750 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.232 -25.308 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.322 -25.485 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.021 -27.941 -2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.688 -26.585 -3.403 1.00 0.00 H new ATOM 378 N GLU A 26 1.360 -25.942 1.484 1.00 0.00 N ATOM 379 CA GLU A 26 1.632 -25.927 2.909 1.00 0.00 C ATOM 380 C GLU A 26 0.833 -27.019 3.600 1.00 0.00 C ATOM 381 O GLU A 26 1.133 -27.403 4.729 1.00 0.00 O ATOM 382 CB GLU A 26 1.304 -24.566 3.505 1.00 0.00 C ATOM 383 CG GLU A 26 2.084 -23.425 2.872 1.00 0.00 C ATOM 384 CD GLU A 26 2.991 -22.720 3.860 1.00 0.00 C ATOM 385 OE1 GLU A 26 3.765 -23.403 4.549 1.00 0.00 O ATOM 386 OE2 GLU A 26 2.920 -21.477 3.933 1.00 0.00 O ATOM 0 H GLU A 26 0.685 -25.243 1.174 1.00 0.00 H new ATOM 0 HA GLU A 26 2.694 -26.116 3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.237 -24.375 3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.510 -24.587 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.683 -23.813 2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.385 -22.704 2.447 1.00 0.00 H new ATOM 393 N GLU A 27 -0.211 -27.489 2.909 1.00 0.00 N ATOM 394 CA GLU A 27 -1.085 -28.510 3.449 1.00 0.00 C ATOM 395 C GLU A 27 -2.081 -27.880 4.407 1.00 0.00 C ATOM 396 O GLU A 27 -2.786 -28.581 5.132 1.00 0.00 O ATOM 397 CB GLU A 27 -0.283 -29.602 4.163 1.00 0.00 C ATOM 398 CG GLU A 27 -0.723 -31.019 3.806 1.00 0.00 C ATOM 399 CD GLU A 27 -1.917 -31.474 4.618 1.00 0.00 C ATOM 400 OE1 GLU A 27 -1.724 -31.875 5.786 1.00 0.00 O ATOM 401 OE2 GLU A 27 -3.046 -31.444 4.083 1.00 0.00 O ATOM 0 H GLU A 27 -0.463 -27.171 1.973 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.623 -28.974 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.772 -29.486 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.375 -29.463 5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.970 -31.063 2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.107 -31.706 3.969 1.00 0.00 H new ATOM 408 N ASN A 28 -2.152 -26.551 4.389 1.00 0.00 N ATOM 409 CA ASN A 28 -3.086 -25.847 5.255 1.00 0.00 C ATOM 410 C ASN A 28 -4.486 -26.338 4.994 1.00 0.00 C ATOM 411 O ASN A 28 -5.082 -27.018 5.831 1.00 0.00 O ATOM 412 CB ASN A 28 -3.061 -24.324 5.043 1.00 0.00 C ATOM 413 CG ASN A 28 -1.734 -23.794 4.565 1.00 0.00 C ATOM 414 OD1 ASN A 28 -1.707 -23.356 3.318 1.00 0.00 O flip ATOM 415 ND2 ASN A 28 -0.748 -23.790 5.298 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.582 -25.950 3.793 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.779 -26.051 6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.830 -24.056 4.319 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.321 -23.833 5.981 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.821 -24.139 6.253 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.144 -23.437 4.951 1.00 0.00 H new ATOM 422 N THR A 29 -5.005 -25.990 3.822 1.00 0.00 N ATOM 423 CA THR A 29 -6.359 -26.386 3.433 1.00 0.00 C ATOM 424 C THR A 29 -6.928 -25.496 2.326 1.00 0.00 C ATOM 425 O THR A 29 -7.515 -25.997 1.361 1.00 0.00 O ATOM 426 CB THR A 29 -7.295 -26.299 4.642 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.652 -26.266 4.232 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.038 -25.068 5.490 1.00 0.00 C ATOM 0 H THR A 29 -4.511 -25.435 3.123 1.00 0.00 H new ATOM 0 HA THR A 29 -6.294 -27.408 3.060 1.00 0.00 H new ATOM 0 HB THR A 29 -7.093 -27.190 5.237 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.231 -26.212 5.021 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.729 -25.056 6.333 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.013 -25.089 5.861 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.187 -24.173 4.886 1.00 0.00 H new ATOM 436 N ASP A 30 -6.779 -24.187 2.487 1.00 0.00 N ATOM 437 CA ASP A 30 -7.304 -23.223 1.527 1.00 0.00 C ATOM 438 C ASP A 30 -7.130 -21.825 2.099 1.00 0.00 C ATOM 439 O ASP A 30 -8.094 -21.151 2.446 1.00 0.00 O ATOM 440 CB ASP A 30 -8.782 -23.496 1.231 1.00 0.00 C ATOM 441 CG ASP A 30 -8.986 -24.201 -0.093 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.556 -23.650 -1.130 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.574 -25.304 -0.094 1.00 0.00 O ATOM 0 H ASP A 30 -6.295 -23.766 3.280 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.757 -23.312 0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.204 -24.104 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.329 -22.553 1.225 1.00 0.00 H new ATOM 448 N LEU A 31 -5.878 -21.450 2.220 1.00 0.00 N ATOM 449 CA LEU A 31 -5.500 -20.174 2.782 1.00 0.00 C ATOM 450 C LEU A 31 -6.087 -18.998 2.023 1.00 0.00 C ATOM 451 O LEU A 31 -6.396 -19.088 0.836 1.00 0.00 O ATOM 452 CB LEU A 31 -3.983 -20.078 2.772 1.00 0.00 C ATOM 453 CG LEU A 31 -3.331 -20.006 4.140 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.958 -18.898 4.951 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.465 -21.334 4.860 1.00 0.00 C ATOM 0 H LEU A 31 -5.088 -22.025 1.929 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.896 -20.123 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.584 -20.943 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.695 -19.194 2.203 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.270 -19.791 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.485 -18.852 5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.819 -17.947 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.024 -19.093 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.992 -21.266 5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.521 -21.577 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.979 -22.115 4.276 1.00 0.00 H new ATOM 467 N LYS A 32 -6.206 -17.887 2.733 1.00 0.00 N ATOM 468 CA LYS A 32 -6.724 -16.653 2.170 1.00 0.00 C ATOM 469 C LYS A 32 -5.653 -15.574 2.258 1.00 0.00 C ATOM 470 O LYS A 32 -5.136 -15.293 3.340 1.00 0.00 O ATOM 471 CB LYS A 32 -7.993 -16.200 2.902 1.00 0.00 C ATOM 472 CG LYS A 32 -8.533 -17.200 3.908 1.00 0.00 C ATOM 473 CD LYS A 32 -10.014 -16.990 4.164 1.00 0.00 C ATOM 474 CE LYS A 32 -10.287 -15.599 4.710 1.00 0.00 C ATOM 475 NZ LYS A 32 -10.443 -15.607 6.188 1.00 0.00 N ATOM 0 H LYS A 32 -5.945 -17.817 3.717 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.987 -16.827 1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.784 -15.263 3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.768 -15.992 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.367 -18.213 3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.984 -17.107 4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.570 -17.135 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.373 -17.738 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.469 -14.933 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.191 -15.199 4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.018 -14.745 6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.454 -15.639 6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.966 -16.443 6.583 1.00 0.00 H new ATOM 489 N LEU A 33 -5.312 -14.979 1.123 1.00 0.00 N ATOM 490 CA LEU A 33 -4.291 -13.949 1.091 1.00 0.00 C ATOM 491 C LEU A 33 -4.672 -12.779 1.989 1.00 0.00 C ATOM 492 O LEU A 33 -5.847 -12.440 2.115 1.00 0.00 O ATOM 493 CB LEU A 33 -4.096 -13.467 -0.348 1.00 0.00 C ATOM 494 CG LEU A 33 -2.789 -12.721 -0.630 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.852 -11.304 -0.082 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.598 -13.470 -0.049 1.00 0.00 C ATOM 0 H LEU A 33 -5.728 -15.193 0.217 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.357 -14.371 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.150 -14.331 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.929 -12.813 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.658 -12.666 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.914 -10.790 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.674 -10.767 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.014 -11.337 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.682 -12.919 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.720 -13.566 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.538 -14.462 -0.497 1.00 0.00 H new ATOM 508 N ARG A 34 -3.668 -12.161 2.600 1.00 0.00 N ATOM 509 CA ARG A 34 -3.895 -11.021 3.474 1.00 0.00 C ATOM 510 C ARG A 34 -2.813 -9.972 3.260 1.00 0.00 C ATOM 511 O ARG A 34 -1.712 -10.067 3.801 1.00 0.00 O ATOM 512 CB ARG A 34 -3.945 -11.458 4.936 1.00 0.00 C ATOM 513 CG ARG A 34 -4.106 -10.303 5.914 1.00 0.00 C ATOM 514 CD ARG A 34 -2.897 -10.167 6.827 1.00 0.00 C ATOM 515 NE ARG A 34 -3.226 -9.469 8.067 1.00 0.00 N ATOM 516 CZ ARG A 34 -2.319 -8.953 8.887 1.00 0.00 C ATOM 517 NH1 ARG A 34 -1.023 -9.055 8.611 1.00 0.00 N ATOM 518 NH2 ARG A 34 -2.706 -8.333 9.993 1.00 0.00 N ATOM 0 H ARG A 34 -2.689 -12.432 2.505 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.860 -10.580 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.773 -12.154 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.030 -12.001 5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.251 -9.375 5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.001 -10.458 6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.506 -11.157 7.061 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.107 -9.627 6.305 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.210 -9.372 8.317 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.718 -9.533 7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.333 -8.655 9.247 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.699 -8.253 10.212 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.011 -7.936 10.625 1.00 0.00 H new ATOM 532 N VAL A 35 -3.133 -8.987 2.439 1.00 0.00 N ATOM 533 CA VAL A 35 -2.198 -7.923 2.104 1.00 0.00 C ATOM 534 C VAL A 35 -1.947 -6.955 3.249 1.00 0.00 C ATOM 535 O VAL A 35 -2.790 -6.751 4.124 1.00 0.00 O ATOM 536 CB VAL A 35 -2.701 -7.106 0.908 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.627 -6.147 0.419 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.153 -8.021 -0.207 1.00 0.00 C ATOM 0 H VAL A 35 -4.043 -8.901 1.987 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.263 -8.432 1.868 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.557 -6.515 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.006 -5.578 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.357 -5.462 1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.747 -6.712 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.507 -7.423 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.317 -8.642 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.962 -8.658 0.151 1.00 0.00 H new ATOM 548 N TYR A 36 -0.779 -6.332 3.189 1.00 0.00 N ATOM 549 CA TYR A 36 -0.362 -5.330 4.160 1.00 0.00 C ATOM 550 C TYR A 36 0.389 -4.224 3.431 1.00 0.00 C ATOM 551 O TYR A 36 0.546 -4.280 2.210 1.00 0.00 O ATOM 552 CB TYR A 36 0.517 -5.937 5.260 1.00 0.00 C ATOM 553 CG TYR A 36 1.246 -7.193 4.847 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.552 -8.369 4.600 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.628 -7.204 4.705 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.212 -9.520 4.223 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.298 -8.352 4.329 1.00 0.00 C ATOM 558 CZ TYR A 36 2.585 -9.508 4.089 1.00 0.00 C ATOM 559 OH TYR A 36 3.247 -10.654 3.713 1.00 0.00 O ATOM 0 H TYR A 36 -0.088 -6.509 2.459 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.249 -4.924 4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.248 -5.193 5.577 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.106 -6.160 6.126 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.523 -8.383 4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.188 -6.300 4.892 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.656 -10.427 4.034 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.373 -8.344 4.224 1.00 0.00 H new ATOM 0 HH TYR A 36 4.209 -10.475 3.664 1.00 0.00 H new ATOM 569 N ILE A 37 0.849 -3.218 4.160 1.00 0.00 N ATOM 570 CA ILE A 37 1.571 -2.117 3.537 1.00 0.00 C ATOM 571 C ILE A 37 3.070 -2.401 3.462 1.00 0.00 C ATOM 572 O ILE A 37 3.761 -2.443 4.481 1.00 0.00 O ATOM 573 CB ILE A 37 1.325 -0.786 4.280 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.098 -0.292 4.020 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.330 0.269 3.842 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.381 -0.007 2.562 1.00 0.00 C ATOM 0 H ILE A 37 0.738 -3.140 5.171 1.00 0.00 H new ATOM 0 HA ILE A 37 1.186 -2.023 2.522 1.00 0.00 H new ATOM 0 HB ILE A 37 1.451 -0.962 5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.805 -1.040 4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.271 0.615 4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.138 1.199 4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.340 -0.076 4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.233 0.441 2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.409 0.339 2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.302 0.763 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.241 -0.917 1.979 1.00 0.00 H new ATOM 672 N GLN A 46 3.196 -1.938 -4.030 1.00 0.00 N ATOM 673 CA GLN A 46 3.511 -3.349 -3.836 1.00 0.00 C ATOM 674 C GLN A 46 2.563 -3.998 -2.839 1.00 0.00 C ATOM 675 O GLN A 46 1.675 -4.754 -3.219 1.00 0.00 O ATOM 676 CB GLN A 46 4.950 -3.518 -3.355 1.00 0.00 C ATOM 677 CG GLN A 46 5.986 -3.182 -4.409 1.00 0.00 C ATOM 678 CD GLN A 46 7.320 -2.816 -3.799 1.00 0.00 C ATOM 679 OE1 GLN A 46 8.298 -3.553 -3.915 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.360 -1.667 -3.142 1.00 0.00 N ATOM 0 HA GLN A 46 3.392 -3.844 -4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.110 -2.882 -2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.097 -4.548 -3.029 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.114 -4.035 -5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.627 -2.353 -5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.522 -1.090 -3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.229 -1.359 -2.705 1.00 0.00 H new ATOM 689 N TYR A 47 2.767 -3.707 -1.561 1.00 0.00 N ATOM 690 CA TYR A 47 1.939 -4.274 -0.505 1.00 0.00 C ATOM 691 C TYR A 47 2.268 -5.747 -0.305 1.00 0.00 C ATOM 692 O TYR A 47 2.062 -6.573 -1.195 1.00 0.00 O ATOM 693 CB TYR A 47 0.458 -4.090 -0.826 1.00 0.00 C ATOM 694 CG TYR A 47 0.123 -2.690 -1.277 1.00 0.00 C ATOM 695 CD1 TYR A 47 -0.044 -1.668 -0.353 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.017 -2.389 -2.624 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.343 -0.383 -0.757 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.318 -1.104 -3.038 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.479 -0.106 -2.100 1.00 0.00 C ATOM 700 OH TYR A 47 -0.777 1.175 -2.506 1.00 0.00 O ATOM 0 H TYR A 47 3.500 -3.080 -1.230 1.00 0.00 H new ATOM 0 HA TYR A 47 2.154 -3.745 0.424 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.170 -4.796 -1.605 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.133 -4.332 0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.062 -1.882 0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.111 -3.169 -3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.470 0.401 -0.025 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.426 -0.884 -4.090 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.838 1.203 -3.484 1.00 0.00 H new ATOM 710 N GLY A 48 2.802 -6.060 0.868 1.00 0.00 N ATOM 711 CA GLY A 48 3.183 -7.426 1.179 1.00 0.00 C ATOM 712 C GLY A 48 1.998 -8.362 1.315 1.00 0.00 C ATOM 713 O GLY A 48 1.005 -8.033 1.962 1.00 0.00 O ATOM 0 H GLY A 48 2.979 -5.388 1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.844 -7.799 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.753 -7.435 2.108 1.00 0.00 H new ATOM 717 N PHE A 49 2.104 -9.529 0.686 1.00 0.00 N ATOM 718 CA PHE A 49 1.043 -10.526 0.717 1.00 0.00 C ATOM 719 C PHE A 49 1.377 -11.697 1.635 1.00 0.00 C ATOM 720 O PHE A 49 2.476 -12.250 1.585 1.00 0.00 O ATOM 721 CB PHE A 49 0.794 -11.057 -0.691 1.00 0.00 C ATOM 722 CG PHE A 49 -0.137 -10.203 -1.487 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.083 -8.826 -1.384 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.072 -10.776 -2.328 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.944 -8.032 -2.103 1.00 0.00 C ATOM 726 CE2 PHE A 49 -1.941 -9.990 -3.053 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.881 -8.613 -2.940 1.00 0.00 C ATOM 0 H PHE A 49 2.922 -9.807 0.145 1.00 0.00 H new ATOM 0 HA PHE A 49 0.151 -10.035 1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.746 -11.133 -1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.385 -12.065 -0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.645 -8.368 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.122 -11.851 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.890 -6.957 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.667 -10.448 -3.708 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.563 -7.993 -3.503 1.00 0.00 H new ATOM 737 N THR A 50 0.401 -12.089 2.447 1.00 0.00 N ATOM 738 CA THR A 50 0.561 -13.222 3.355 1.00 0.00 C ATOM 739 C THR A 50 -0.632 -14.163 3.217 1.00 0.00 C ATOM 740 O THR A 50 -1.661 -13.790 2.660 1.00 0.00 O ATOM 741 CB THR A 50 0.694 -12.757 4.807 1.00 0.00 C ATOM 742 OG1 THR A 50 1.192 -13.802 5.620 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.614 -12.296 5.405 1.00 0.00 C ATOM 0 H THR A 50 -0.513 -11.638 2.496 1.00 0.00 H new ATOM 0 HA THR A 50 1.477 -13.749 3.086 1.00 0.00 H new ATOM 0 HB THR A 50 1.382 -11.912 4.782 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.272 -13.487 6.545 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.452 -11.980 6.435 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.004 -11.459 4.826 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.332 -13.116 5.386 1.00 0.00 H new ATOM 751 N PHE A 51 -0.494 -15.379 3.723 1.00 0.00 N ATOM 752 CA PHE A 51 -1.565 -16.356 3.642 1.00 0.00 C ATOM 753 C PHE A 51 -2.206 -16.536 5.008 1.00 0.00 C ATOM 754 O PHE A 51 -1.688 -17.235 5.873 1.00 0.00 O ATOM 755 CB PHE A 51 -1.007 -17.660 3.071 1.00 0.00 C ATOM 756 CG PHE A 51 -0.012 -17.383 1.981 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.438 -16.937 0.742 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.346 -17.510 2.216 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.474 -16.622 -0.246 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.264 -17.206 1.229 1.00 0.00 C ATOM 761 CZ PHE A 51 1.828 -16.757 -0.002 1.00 0.00 C ATOM 0 H PHE A 51 0.348 -15.711 4.193 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.351 -16.011 2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.532 -18.236 3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.822 -18.269 2.679 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.495 -16.834 0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.692 -17.850 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.130 -16.271 -1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.321 -17.319 1.420 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.544 -16.512 -0.773 1.00 0.00 H new ATOM 771 N ASP A 52 -3.326 -15.845 5.187 1.00 0.00 N ATOM 772 CA ASP A 52 -4.067 -15.849 6.439 1.00 0.00 C ATOM 773 C ASP A 52 -5.438 -16.503 6.297 1.00 0.00 C ATOM 774 O ASP A 52 -6.356 -15.919 5.722 1.00 0.00 O ATOM 775 CB ASP A 52 -4.196 -14.405 6.933 1.00 0.00 C ATOM 776 CG ASP A 52 -5.181 -14.245 8.070 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.393 -14.416 7.836 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.741 -13.943 9.198 1.00 0.00 O ATOM 0 H ASP A 52 -3.746 -15.263 4.462 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.520 -16.446 7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.217 -14.051 7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.505 -13.771 6.102 1.00 0.00 H new ATOM 783 N GLU A 53 -5.559 -17.725 6.810 1.00 0.00 N ATOM 784 CA GLU A 53 -6.802 -18.485 6.736 1.00 0.00 C ATOM 785 C GLU A 53 -7.872 -17.951 7.689 1.00 0.00 C ATOM 786 O GLU A 53 -9.064 -18.102 7.439 1.00 0.00 O ATOM 787 CB GLU A 53 -6.531 -19.961 7.035 1.00 0.00 C ATOM 788 CG GLU A 53 -7.014 -20.902 5.945 1.00 0.00 C ATOM 789 CD GLU A 53 -8.152 -21.794 6.403 1.00 0.00 C ATOM 790 OE1 GLU A 53 -7.973 -22.517 7.402 1.00 0.00 O ATOM 791 OE2 GLU A 53 -9.222 -21.763 5.762 1.00 0.00 O ATOM 0 H GLU A 53 -4.801 -18.214 7.287 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.186 -18.375 5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.460 -20.103 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.016 -20.228 7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.340 -20.318 5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.182 -21.523 5.612 1.00 0.00 H new ATOM 881 N LEU A 60 -10.779 -5.882 5.496 1.00 0.00 N ATOM 882 CA LEU A 60 -11.701 -6.110 4.390 1.00 0.00 C ATOM 883 C LEU A 60 -11.300 -7.368 3.642 1.00 0.00 C ATOM 884 O LEU A 60 -10.185 -7.858 3.819 1.00 0.00 O ATOM 885 CB LEU A 60 -11.747 -4.905 3.446 1.00 0.00 C ATOM 886 CG LEU A 60 -11.896 -3.535 4.123 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.685 -2.591 3.231 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.565 -3.666 5.485 1.00 0.00 C ATOM 0 HA LEU A 60 -12.704 -6.242 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.834 -4.898 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.578 -5.040 2.754 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.899 -3.122 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.784 -1.623 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.163 -2.465 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.676 -3.007 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.657 -2.680 5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.556 -4.104 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.961 -4.308 6.127 1.00 0.00 H new ATOM 900 N THR A 61 -12.199 -7.918 2.833 1.00 0.00 N ATOM 901 CA THR A 61 -11.878 -9.147 2.119 1.00 0.00 C ATOM 902 C THR A 61 -12.446 -9.193 0.701 1.00 0.00 C ATOM 903 O THR A 61 -13.618 -8.926 0.464 1.00 0.00 O ATOM 904 CB THR A 61 -12.359 -10.357 2.921 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.673 -10.724 2.546 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.353 -10.120 4.415 1.00 0.00 C ATOM 0 H THR A 61 -13.132 -7.544 2.658 1.00 0.00 H new ATOM 0 HA THR A 61 -10.793 -9.173 2.015 1.00 0.00 H new ATOM 0 HB THR A 61 -11.652 -11.154 2.691 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.737 -11.700 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.705 -11.016 4.927 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.339 -9.889 4.743 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.011 -9.284 4.653 1.00 0.00 H new ATOM 914 N ILE A 62 -11.572 -9.571 -0.227 1.00 0.00 N ATOM 915 CA ILE A 62 -11.904 -9.715 -1.637 1.00 0.00 C ATOM 916 C ILE A 62 -11.557 -11.135 -2.077 1.00 0.00 C ATOM 917 O ILE A 62 -10.422 -11.568 -1.919 1.00 0.00 O ATOM 918 CB ILE A 62 -11.115 -8.715 -2.513 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.817 -8.273 -1.819 1.00 0.00 C ATOM 920 CG2 ILE A 62 -11.978 -7.515 -2.861 1.00 0.00 C ATOM 921 CD1 ILE A 62 -10.023 -7.312 -0.663 1.00 0.00 C ATOM 0 H ILE A 62 -10.598 -9.789 -0.015 1.00 0.00 H new ATOM 0 HA ILE A 62 -12.968 -9.512 -1.762 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.840 -9.221 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.295 -9.157 -1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.167 -7.802 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.406 -6.822 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.859 -7.847 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.290 -7.013 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.057 -7.051 -0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.515 -6.409 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.645 -7.785 0.097 1.00 0.00 H new ATOM 933 N GLU A 63 -12.523 -11.872 -2.609 1.00 0.00 N ATOM 934 CA GLU A 63 -12.265 -13.247 -3.031 1.00 0.00 C ATOM 935 C GLU A 63 -11.170 -13.299 -4.092 1.00 0.00 C ATOM 936 O GLU A 63 -10.959 -12.335 -4.828 1.00 0.00 O ATOM 937 CB GLU A 63 -13.540 -13.889 -3.566 1.00 0.00 C ATOM 938 CG GLU A 63 -13.475 -15.406 -3.635 1.00 0.00 C ATOM 939 CD GLU A 63 -14.596 -16.000 -4.463 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.174 -15.268 -5.294 1.00 0.00 O ATOM 941 OE2 GLU A 63 -14.894 -17.198 -4.283 1.00 0.00 O ATOM 0 H GLU A 63 -13.479 -11.550 -2.758 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.925 -13.806 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.377 -13.598 -2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.744 -13.497 -4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.517 -15.706 -4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.518 -15.814 -2.625 1.00 0.00 H new ATOM 948 N LYS A 64 -10.470 -14.430 -4.161 1.00 0.00 N ATOM 949 CA LYS A 64 -9.394 -14.600 -5.128 1.00 0.00 C ATOM 950 C LYS A 64 -9.730 -15.689 -6.140 1.00 0.00 C ATOM 951 O LYS A 64 -10.720 -16.407 -5.996 1.00 0.00 O ATOM 952 CB LYS A 64 -8.076 -14.926 -4.418 1.00 0.00 C ATOM 953 CG LYS A 64 -7.612 -13.821 -3.477 1.00 0.00 C ATOM 954 CD LYS A 64 -6.192 -14.044 -2.962 1.00 0.00 C ATOM 955 CE LYS A 64 -5.148 -13.582 -3.965 1.00 0.00 C ATOM 956 NZ LYS A 64 -4.775 -12.155 -3.763 1.00 0.00 N ATOM 0 H LYS A 64 -10.630 -15.238 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.279 -13.659 -5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.194 -15.850 -3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.303 -15.106 -5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.660 -12.864 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.296 -13.759 -2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.057 -13.506 -2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.046 -15.102 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.258 -14.206 -3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.532 -13.717 -4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.898 -11.949 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.538 -11.543 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.628 -11.975 -2.749 1.00 0.00 H new ATOM 970 N SER A 65 -8.896 -15.797 -7.167 1.00 0.00 N ATOM 971 CA SER A 65 -9.088 -16.785 -8.224 1.00 0.00 C ATOM 972 C SER A 65 -9.302 -18.179 -7.662 1.00 0.00 C ATOM 973 O SER A 65 -10.141 -18.932 -8.154 1.00 0.00 O ATOM 974 CB SER A 65 -7.878 -16.786 -9.157 1.00 0.00 C ATOM 975 OG SER A 65 -8.279 -16.761 -10.516 1.00 0.00 O ATOM 0 H SER A 65 -8.073 -15.207 -7.291 1.00 0.00 H new ATOM 0 HA SER A 65 -9.985 -16.508 -8.778 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.251 -15.920 -8.944 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.272 -17.673 -8.970 1.00 0.00 H new ATOM 0 HG SER A 65 -7.486 -16.760 -11.091 1.00 0.00 H new ATOM 981 N GLY A 66 -8.530 -18.534 -6.643 1.00 0.00 N ATOM 982 CA GLY A 66 -8.646 -19.845 -6.046 1.00 0.00 C ATOM 983 C GLY A 66 -8.735 -19.813 -4.533 1.00 0.00 C ATOM 984 O GLY A 66 -8.691 -20.853 -3.880 1.00 0.00 O ATOM 0 H GLY A 66 -7.823 -17.933 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.532 -20.340 -6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.786 -20.447 -6.339 1.00 0.00 H new ATOM 988 N VAL A 67 -8.859 -18.620 -3.973 1.00 0.00 N ATOM 989 CA VAL A 67 -8.952 -18.461 -2.527 1.00 0.00 C ATOM 990 C VAL A 67 -9.691 -17.165 -2.174 1.00 0.00 C ATOM 991 O VAL A 67 -10.565 -16.725 -2.921 1.00 0.00 O ATOM 992 CB VAL A 67 -7.550 -18.467 -1.880 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.779 -19.706 -2.295 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.776 -17.213 -2.251 1.00 0.00 C ATOM 0 H VAL A 67 -8.898 -17.746 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.517 -19.305 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.677 -18.481 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.793 -19.694 -1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.321 -20.596 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.668 -19.720 -3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.792 -17.241 -1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.662 -17.163 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.319 -16.334 -1.903 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.338 -16.552 -1.045 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.974 -15.314 -0.625 1.00 0.00 C ATOM 1006 C GLN A 68 -8.928 -14.326 -0.095 1.00 0.00 C ATOM 1007 O GLN A 68 -8.068 -14.684 0.706 1.00 0.00 O ATOM 1008 CB GLN A 68 -11.073 -15.627 0.401 1.00 0.00 C ATOM 1009 CG GLN A 68 -10.940 -14.933 1.743 1.00 0.00 C ATOM 1010 CD GLN A 68 -11.697 -13.629 1.809 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.284 -13.291 2.834 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -11.691 -12.888 0.713 1.00 0.00 N ATOM 0 H GLN A 68 -8.617 -16.895 -0.410 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.450 -14.830 -1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.036 -15.357 -0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.090 -16.704 0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.303 -15.598 2.527 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.886 -14.746 1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.190 -13.208 -0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.187 -11.997 0.697 1.00 0.00 H new ATOM 1021 N LEU A 69 -8.994 -13.087 -0.573 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.044 -12.053 -0.169 1.00 0.00 C ATOM 1023 C LEU A 69 -8.621 -11.158 0.928 1.00 0.00 C ATOM 1024 O LEU A 69 -9.787 -10.781 0.880 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.651 -11.208 -1.387 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.817 -9.956 -1.096 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.789 -10.219 -0.008 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.123 -9.499 -2.363 1.00 0.00 C ATOM 0 H LEU A 69 -9.697 -12.773 -1.242 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.159 -12.545 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.092 -11.840 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.562 -10.902 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.488 -9.173 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.213 -9.312 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.298 -10.518 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.118 -11.016 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.531 -8.608 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.469 -10.292 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.869 -9.267 -3.123 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.792 -10.822 1.911 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.211 -9.963 3.015 1.00 0.00 C ATOM 1042 C VAL A 70 -7.083 -8.992 3.376 1.00 0.00 C ATOM 1043 O VAL A 70 -6.024 -9.403 3.838 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.651 -10.794 4.257 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -9.008 -12.218 3.861 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.587 -10.807 5.348 1.00 0.00 C ATOM 0 H VAL A 70 -6.822 -11.133 1.966 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.080 -9.391 2.690 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.537 -10.305 4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.312 -12.777 4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.828 -12.201 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.140 -12.698 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.939 -11.399 6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.669 -11.245 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.390 -9.786 5.677 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.298 -7.703 3.139 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.264 -6.712 3.426 1.00 0.00 C ATOM 1058 C ILE A 71 -6.596 -5.879 4.659 1.00 0.00 C ATOM 1059 O ILE A 71 -7.698 -5.962 5.205 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.995 -5.790 2.211 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -7.014 -4.654 2.134 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -6.013 -6.600 0.924 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.425 -5.131 1.879 1.00 0.00 C ATOM 0 H ILE A 71 -8.163 -7.323 2.755 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.353 -7.273 3.635 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.008 -5.345 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.991 -4.092 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.722 -3.966 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.823 -5.941 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.241 -7.368 0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.988 -7.072 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.097 -4.274 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.462 -5.669 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.736 -5.795 2.685 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.621 -5.092 5.102 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.788 -4.256 6.287 1.00 0.00 C ATOM 1077 C ASP A 72 -6.252 -2.842 5.937 1.00 0.00 C ATOM 1078 O ASP A 72 -5.841 -2.272 4.927 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.476 -4.188 7.072 1.00 0.00 C ATOM 1080 CG ASP A 72 -3.335 -3.634 6.241 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -3.251 -3.977 5.043 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -2.524 -2.859 6.789 1.00 0.00 O ATOM 0 H ASP A 72 -4.706 -5.015 4.658 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.563 -4.716 6.899 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.616 -3.564 7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.214 -5.186 7.425 1.00 0.00 H new ATOM 1087 N PRO A 73 -7.120 -2.257 6.788 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.647 -0.903 6.590 1.00 0.00 C ATOM 1089 C PRO A 73 -6.561 0.092 6.197 1.00 0.00 C ATOM 1090 O PRO A 73 -6.796 1.003 5.405 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.223 -0.552 7.959 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.634 -1.861 8.538 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.652 -2.877 8.016 1.00 0.00 C ATOM 0 HA PRO A 73 -8.374 -0.860 5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.482 -0.056 8.586 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.071 0.127 7.870 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.618 -1.827 9.627 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.652 -2.115 8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.860 -3.076 8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.137 -3.830 7.805 1.00 0.00 H new ATOM 1101 N MET A 74 -5.368 -0.091 6.749 1.00 0.00 N ATOM 1102 CA MET A 74 -4.246 0.780 6.449 1.00 0.00 C ATOM 1103 C MET A 74 -3.972 0.763 4.946 1.00 0.00 C ATOM 1104 O MET A 74 -3.839 1.805 4.293 1.00 0.00 O ATOM 1105 CB MET A 74 -3.015 0.335 7.258 1.00 0.00 C ATOM 1106 CG MET A 74 -1.679 0.491 6.543 1.00 0.00 C ATOM 1107 SD MET A 74 -0.338 0.920 7.671 1.00 0.00 S ATOM 1108 CE MET A 74 -0.919 2.491 8.306 1.00 0.00 C ATOM 0 H MET A 74 -5.155 -0.839 7.409 1.00 0.00 H new ATOM 0 HA MET A 74 -4.481 1.805 6.735 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.982 0.908 8.185 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.141 -0.712 7.535 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.434 -0.439 6.030 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.768 1.263 5.779 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.065 3.126 8.543 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.538 2.981 7.554 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.508 2.324 9.208 1.00 0.00 H new ATOM 1118 N SER A 75 -3.919 -0.435 4.397 1.00 0.00 N ATOM 1119 CA SER A 75 -3.689 -0.598 2.976 1.00 0.00 C ATOM 1120 C SER A 75 -4.935 -0.203 2.196 1.00 0.00 C ATOM 1121 O SER A 75 -4.847 0.278 1.070 1.00 0.00 O ATOM 1122 CB SER A 75 -3.313 -2.049 2.660 1.00 0.00 C ATOM 1123 OG SER A 75 -4.340 -2.940 3.059 1.00 0.00 O ATOM 0 H SER A 75 -4.032 -1.308 4.913 1.00 0.00 H new ATOM 0 HA SER A 75 -2.864 0.050 2.681 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.129 -2.156 1.591 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.385 -2.307 3.170 1.00 0.00 H new ATOM 0 HG SER A 75 -4.353 -3.007 4.037 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.099 -0.417 2.807 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.373 -0.100 2.174 1.00 0.00 C ATOM 1131 C LEU A 76 -7.343 1.281 1.510 1.00 0.00 C ATOM 1132 O LEU A 76 -7.748 1.421 0.362 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.500 -0.229 3.201 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.658 0.753 3.070 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.846 0.247 3.854 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.239 2.110 3.581 1.00 0.00 C ATOM 0 H LEU A 76 -6.183 -0.811 3.744 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.560 -0.815 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.902 -1.240 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.069 -0.117 4.196 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.937 0.842 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.672 0.952 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.151 -0.725 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.573 0.149 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.071 2.808 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.951 2.031 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.392 2.473 2.998 1.00 0.00 H new ATOM 1148 N GLN A 77 -6.847 2.290 2.223 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.759 3.639 1.658 1.00 0.00 C ATOM 1150 C GLN A 77 -5.658 3.707 0.609 1.00 0.00 C ATOM 1151 O GLN A 77 -5.674 4.578 -0.259 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.467 4.710 2.718 1.00 0.00 C ATOM 1153 CG GLN A 77 -7.390 4.691 3.921 1.00 0.00 C ATOM 1154 CD GLN A 77 -6.716 4.143 5.162 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -5.734 3.268 4.971 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -7.073 4.502 6.284 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.504 2.204 3.180 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.734 3.843 1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.441 4.586 3.064 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.528 5.691 2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.743 5.703 4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.268 4.087 3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.832 5.176 6.386 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.610 4.125 7.111 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.688 2.801 0.705 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.575 2.788 -0.229 1.00 0.00 C ATOM 1167 C TYR A 78 -3.917 2.040 -1.515 1.00 0.00 C ATOM 1168 O TYR A 78 -3.503 2.438 -2.603 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.347 2.148 0.419 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.727 2.978 1.521 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.487 3.439 2.589 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.374 3.292 1.495 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.917 4.189 3.598 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.204 4.043 2.501 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.572 4.489 3.550 1.00 0.00 C ATOM 1176 OH TYR A 78 0.000 5.236 4.554 1.00 0.00 O ATOM 0 H TYR A 78 -4.654 2.072 1.417 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.360 3.825 -0.487 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.629 1.177 0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.597 1.966 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.541 3.207 2.630 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.236 2.943 0.675 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.522 4.539 4.421 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.257 4.279 2.466 1.00 0.00 H new ATOM 0 HH TYR A 78 0.955 5.356 4.369 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.645 0.937 -1.382 1.00 0.00 N ATOM 1187 CA LEU A 79 -5.006 0.117 -2.537 1.00 0.00 C ATOM 1188 C LEU A 79 -6.333 0.525 -3.181 1.00 0.00 C ATOM 1189 O LEU A 79 -6.629 0.116 -4.299 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.962 -1.388 -2.198 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.995 -1.961 -1.208 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.349 -2.190 0.144 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.220 -1.077 -1.059 1.00 0.00 C ATOM 0 H LEU A 79 -4.997 0.589 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.245 0.307 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.061 -1.939 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.970 -1.607 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.337 -2.911 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.087 -2.595 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.525 -2.896 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.969 -1.244 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.912 -1.531 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.918 -0.095 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.711 -0.969 -2.026 1.00 0.00 H new ATOM 1205 N ILE A 80 -7.142 1.299 -2.461 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.466 1.728 -2.943 1.00 0.00 C ATOM 1207 C ILE A 80 -8.643 1.573 -4.460 1.00 0.00 C ATOM 1208 O ILE A 80 -7.910 2.152 -5.259 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.757 3.203 -2.579 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.895 4.148 -3.413 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.520 3.449 -1.104 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.414 3.883 -3.284 1.00 0.00 C ATOM 0 H ILE A 80 -6.906 1.648 -1.532 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.170 1.065 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.805 3.402 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.182 4.060 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.100 5.175 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.731 4.493 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.177 2.806 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.481 3.225 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.862 4.591 -3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.113 4.000 -2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.196 2.867 -3.613 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.654 0.785 -4.818 1.00 0.00 N ATOM 1225 CA GLY A 81 -10.006 0.524 -6.209 1.00 0.00 C ATOM 1226 C GLY A 81 -8.848 0.545 -7.198 1.00 0.00 C ATOM 1227 O GLY A 81 -9.033 0.939 -8.350 1.00 0.00 O ATOM 0 H GLY A 81 -10.255 0.307 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.490 -0.451 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.742 1.264 -6.523 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.669 0.109 -6.775 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.534 0.083 -7.687 1.00 0.00 C ATOM 1233 C GLY A 82 -6.475 -1.217 -8.471 1.00 0.00 C ATOM 1234 O GLY A 82 -7.508 -1.840 -8.717 1.00 0.00 O ATOM 0 H GLY A 82 -7.475 -0.224 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.603 0.923 -8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.610 0.210 -7.123 1.00 0.00 H new ATOM 1238 N THR A 83 -5.273 -1.634 -8.858 1.00 0.00 N ATOM 1239 CA THR A 83 -5.101 -2.877 -9.606 1.00 0.00 C ATOM 1240 C THR A 83 -3.777 -3.541 -9.245 1.00 0.00 C ATOM 1241 O THR A 83 -2.745 -2.880 -9.163 1.00 0.00 O ATOM 1242 CB THR A 83 -5.165 -2.614 -11.112 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.490 -2.311 -11.513 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.692 -3.788 -11.945 1.00 0.00 C ATOM 0 H THR A 83 -4.406 -1.132 -8.667 1.00 0.00 H new ATOM 0 HA THR A 83 -5.914 -3.551 -9.336 1.00 0.00 H new ATOM 0 HB THR A 83 -4.497 -1.771 -11.286 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.067 -2.256 -10.722 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.763 -3.536 -13.003 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.656 -4.017 -11.695 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.316 -4.657 -11.737 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.812 -4.853 -9.026 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.609 -5.594 -8.666 1.00 0.00 C ATOM 1254 C VAL A 84 -2.415 -6.816 -9.550 1.00 0.00 C ATOM 1255 O VAL A 84 -3.378 -7.418 -10.022 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.618 -6.054 -7.186 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.971 -5.840 -6.529 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.199 -7.513 -7.064 1.00 0.00 C ATOM 0 H VAL A 84 -4.656 -5.421 -9.091 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.783 -4.899 -8.815 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.892 -5.434 -6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.930 -6.177 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.225 -4.780 -6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.730 -6.409 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.214 -7.809 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.891 -8.139 -7.628 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.192 -7.637 -7.462 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.158 -7.195 -9.734 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.831 -8.370 -10.521 1.00 0.00 C ATOM 1270 C ASP A 85 0.477 -8.997 -10.049 1.00 0.00 C ATOM 1271 O ASP A 85 1.400 -8.295 -9.637 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.747 -8.029 -12.007 1.00 0.00 C ATOM 1273 CG ASP A 85 -0.069 -6.695 -12.262 1.00 0.00 C ATOM 1274 OD1 ASP A 85 1.179 -6.649 -12.233 1.00 0.00 O ATOM 1275 OD2 ASP A 85 -0.786 -5.699 -12.491 1.00 0.00 O ATOM 0 H ASP A 85 -0.351 -6.705 -9.349 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.632 -9.095 -10.379 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.200 -8.816 -12.526 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.752 -8.008 -12.429 1.00 0.00 H new ATOM 1280 N TYR A 86 0.549 -10.321 -10.115 1.00 0.00 N ATOM 1281 CA TYR A 86 1.741 -11.042 -9.699 1.00 0.00 C ATOM 1282 C TYR A 86 2.341 -11.817 -10.864 1.00 0.00 C ATOM 1283 O TYR A 86 1.620 -12.340 -11.714 1.00 0.00 O ATOM 1284 CB TYR A 86 1.398 -12.000 -8.564 1.00 0.00 C ATOM 1285 CG TYR A 86 2.276 -11.844 -7.348 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.646 -12.060 -7.420 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.729 -11.486 -6.126 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.449 -11.922 -6.304 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.522 -11.346 -5.003 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.882 -11.566 -5.097 1.00 0.00 C ATOM 1291 OH TYR A 86 4.676 -11.429 -3.981 1.00 0.00 O ATOM 0 H TYR A 86 -0.207 -10.916 -10.454 1.00 0.00 H new ATOM 0 HA TYR A 86 2.477 -10.317 -9.352 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.359 -11.846 -8.272 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.478 -13.024 -8.929 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.091 -12.340 -8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.666 -11.314 -6.050 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.513 -12.092 -6.376 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.081 -11.066 -4.058 1.00 0.00 H new ATOM 0 HH TYR A 86 4.122 -11.173 -3.214 1.00 0.00 H new ATOM 1301 N THR A 87 3.662 -11.891 -10.891 1.00 0.00 N ATOM 1302 CA THR A 87 4.364 -12.610 -11.943 1.00 0.00 C ATOM 1303 C THR A 87 5.681 -13.173 -11.421 1.00 0.00 C ATOM 1304 O THR A 87 6.718 -12.514 -11.482 1.00 0.00 O ATOM 1305 CB THR A 87 4.618 -11.691 -13.140 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.394 -11.241 -13.694 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.407 -12.353 -14.251 1.00 0.00 C ATOM 0 H THR A 87 4.271 -11.461 -10.195 1.00 0.00 H new ATOM 0 HA THR A 87 3.737 -13.441 -12.267 1.00 0.00 H new ATOM 0 HB THR A 87 5.205 -10.861 -12.746 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.577 -10.654 -14.457 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.550 -11.645 -15.067 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.378 -12.669 -13.869 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.861 -13.223 -14.617 1.00 0.00 H new ATOM 1413 N PHE A 95 6.155 -8.303 -7.454 1.00 0.00 N ATOM 1414 CA PHE A 95 4.790 -7.836 -7.252 1.00 0.00 C ATOM 1415 C PHE A 95 4.624 -6.393 -7.710 1.00 0.00 C ATOM 1416 O PHE A 95 5.457 -5.538 -7.410 1.00 0.00 O ATOM 1417 CB PHE A 95 4.418 -7.959 -5.774 1.00 0.00 C ATOM 1418 CG PHE A 95 2.941 -7.912 -5.511 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.049 -8.549 -6.362 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.444 -7.234 -4.410 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.693 -8.507 -6.117 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.087 -7.190 -4.161 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.211 -7.827 -5.016 1.00 0.00 C ATOM 0 HA PHE A 95 4.125 -8.457 -7.852 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.816 -8.897 -5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.901 -7.154 -5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.421 -9.083 -7.224 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.126 -6.734 -3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.008 -9.006 -6.786 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.712 -6.658 -3.299 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.851 -7.794 -4.824 1.00 0.00 H new ATOM 1433 N THR A 96 3.543 -6.125 -8.437 1.00 0.00 N ATOM 1434 CA THR A 96 3.279 -4.775 -8.927 1.00 0.00 C ATOM 1435 C THR A 96 1.801 -4.419 -8.810 1.00 0.00 C ATOM 1436 O THR A 96 0.932 -5.164 -9.262 1.00 0.00 O ATOM 1437 CB THR A 96 3.733 -4.630 -10.378 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.783 -5.535 -10.669 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.222 -3.236 -10.710 1.00 0.00 C ATOM 0 H THR A 96 2.841 -6.818 -8.698 1.00 0.00 H new ATOM 0 HA THR A 96 3.848 -4.085 -8.304 1.00 0.00 H new ATOM 0 HB THR A 96 2.851 -4.845 -10.982 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.058 -5.427 -11.603 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.530 -3.198 -11.755 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.418 -2.519 -10.542 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.070 -2.986 -10.072 1.00 0.00 H new ATOM 1447 N VAL A 97 1.527 -3.270 -8.198 1.00 0.00 N ATOM 1448 CA VAL A 97 0.158 -2.800 -8.015 1.00 0.00 C ATOM 1449 C VAL A 97 0.001 -1.380 -8.555 1.00 0.00 C ATOM 1450 O VAL A 97 0.991 -0.701 -8.826 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.255 -2.826 -6.528 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.765 -2.743 -6.381 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.274 -4.075 -5.838 1.00 0.00 C ATOM 0 H VAL A 97 2.239 -2.645 -7.819 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.492 -3.476 -8.570 1.00 0.00 H new ATOM 0 HB VAL A 97 0.186 -1.953 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.029 -2.763 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.124 -1.815 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.227 -3.591 -6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.031 -4.069 -4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.130 -4.961 -6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.362 -4.091 -5.899 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.242 -0.939 -8.718 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.513 0.398 -9.235 1.00 0.00 C ATOM 1465 C ASN A 98 -2.581 1.105 -8.407 1.00 0.00 C ATOM 1466 O ASN A 98 -3.424 0.462 -7.782 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.952 0.319 -10.698 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.807 -0.047 -11.622 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.184 0.678 -11.718 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.937 -1.175 -12.309 1.00 0.00 N ATOM 0 H ASN A 98 -2.075 -1.486 -8.500 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.592 0.978 -9.167 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.747 -0.420 -10.797 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.369 1.279 -11.002 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.199 -1.471 -12.947 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.775 -1.746 -12.199 1.00 0.00 H new