USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 901 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 41 GLN : amide:sc= -4.42 K(o=-6.6,f=-8.8!) USER MOD Set 1.2: A 42 THR OG1 : rot -110:sc= -2.13 USER MOD Single : A 8 GLN : amide:sc= -0.0513 K(o=-0.051,f=-0.85) USER MOD Single : A 10 SER OG : rot -170:sc= -1.48! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= -0.0353 (180deg=-0.0353) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= -1.51 (180deg=-3.79!) USER MOD Single : A 22 SER OG : rot 130:sc= 1.97 USER MOD Single : A 25 CYS SG : rot 40:sc= -3.74! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -139:sc= 0.0211 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -7.3 K(o=-7.3,f=-12!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.696 K(o=-0.7,f=-2.6!) USER MOD Single : A 48 CYS SG : rot 180:sc= -2.67! USER MOD Single : A 53 SER OG : rot 180:sc= -0.54 USER MOD Single : A 60 THR OG1 : rot -11:sc= 0.844 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.782 K(o=0.78,f=-5.4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0683 X(o=-0.068,f=0) USER MOD Single : A 72 SER OG : rot -47:sc= 0.0408 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.023 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl -109:sc= -0.369 (180deg=-3.73!) USER MOD Single : A 104 ASN : amide:sc=-0.000209 X(o=-0.00021,f=0) USER MOD Single : A 107 CYS SG : rot 180:sc= -2.1 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.0057) USER MOD Single : A 122 MET CE :methyl 168:sc= -0.277 (180deg=-0.554) USER MOD Single : A 124 CYS SG : rot -41:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.655 2.808 -19.289 1.00 0.00 N ATOM 59 CA VAL A 4 2.369 4.026 -18.937 1.00 0.00 C ATOM 60 C VAL A 4 2.045 5.170 -19.893 1.00 0.00 C ATOM 61 O VAL A 4 2.011 4.992 -21.110 1.00 0.00 O ATOM 62 CB VAL A 4 3.891 3.795 -18.922 1.00 0.00 C ATOM 63 CG1 VAL A 4 4.273 2.849 -17.794 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.367 3.257 -20.263 1.00 0.00 C ATOM 0 HA VAL A 4 2.036 4.302 -17.937 1.00 0.00 H new ATOM 0 HB VAL A 4 4.383 4.752 -18.749 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.352 2.696 -17.797 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.970 3.280 -16.840 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.771 1.892 -17.936 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.445 3.101 -20.230 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.869 2.310 -20.472 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.128 3.974 -21.048 1.00 0.00 H new ATOM 74 N VAL A 5 1.813 6.347 -19.323 1.00 0.00 N ATOM 75 CA VAL A 5 1.496 7.540 -20.100 1.00 0.00 C ATOM 76 C VAL A 5 2.736 8.412 -20.280 1.00 0.00 C ATOM 77 O VAL A 5 3.628 8.404 -19.431 1.00 0.00 O ATOM 78 CB VAL A 5 0.390 8.373 -19.427 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.959 7.685 -19.566 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.723 8.619 -17.964 1.00 0.00 C ATOM 0 H VAL A 5 1.839 6.501 -18.315 1.00 0.00 H new ATOM 0 HA VAL A 5 1.140 7.203 -21.074 1.00 0.00 H new ATOM 0 HB VAL A 5 0.332 9.338 -19.930 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.727 8.290 -19.084 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.200 7.567 -20.622 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.918 6.705 -19.091 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.070 9.209 -17.505 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.812 7.664 -17.445 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.666 9.160 -17.892 1.00 0.00 H new ATOM 90 N PRO A 6 2.809 9.176 -21.390 1.00 0.00 N ATOM 91 CA PRO A 6 3.938 10.060 -21.684 1.00 0.00 C ATOM 92 C PRO A 6 4.609 10.602 -20.424 1.00 0.00 C ATOM 93 O PRO A 6 5.826 10.508 -20.269 1.00 0.00 O ATOM 94 CB PRO A 6 3.266 11.176 -22.474 1.00 0.00 C ATOM 95 CG PRO A 6 2.169 10.495 -23.232 1.00 0.00 C ATOM 96 CD PRO A 6 1.789 9.254 -22.449 1.00 0.00 C ATOM 0 HA PRO A 6 4.745 9.555 -22.214 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.871 11.947 -21.813 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.970 11.664 -23.148 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.310 11.157 -23.345 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.501 10.230 -24.236 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.786 9.337 -22.032 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.799 8.365 -23.080 1.00 0.00 H new ATOM 104 N ASP A 7 3.804 11.144 -19.517 1.00 0.00 N ATOM 105 CA ASP A 7 4.310 11.669 -18.264 1.00 0.00 C ATOM 106 C ASP A 7 3.540 11.042 -17.108 1.00 0.00 C ATOM 107 O ASP A 7 2.549 11.584 -16.625 1.00 0.00 O ATOM 108 CB ASP A 7 4.201 13.192 -18.238 1.00 0.00 C ATOM 109 CG ASP A 7 5.150 13.857 -19.216 1.00 0.00 C ATOM 110 OD1 ASP A 7 6.314 13.412 -19.309 1.00 0.00 O ATOM 111 OD2 ASP A 7 4.730 14.821 -19.889 1.00 0.00 O ATOM 0 H ASP A 7 2.794 11.229 -19.632 1.00 0.00 H new ATOM 0 HA ASP A 7 5.365 11.414 -18.163 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.178 13.484 -18.473 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.411 13.551 -17.231 1.00 0.00 H new ATOM 116 N GLN A 8 4.009 9.880 -16.686 1.00 0.00 N ATOM 117 CA GLN A 8 3.388 9.138 -15.597 1.00 0.00 C ATOM 118 C GLN A 8 3.338 9.993 -14.348 1.00 0.00 C ATOM 119 O GLN A 8 2.311 10.084 -13.677 1.00 0.00 O ATOM 120 CB GLN A 8 4.162 7.845 -15.323 1.00 0.00 C ATOM 121 CG GLN A 8 5.673 8.021 -15.307 1.00 0.00 C ATOM 122 CD GLN A 8 6.403 6.847 -15.933 1.00 0.00 C ATOM 123 OE1 GLN A 8 5.878 5.736 -15.990 1.00 0.00 O ATOM 124 NE2 GLN A 8 7.619 7.091 -16.406 1.00 0.00 N ATOM 0 H GLN A 8 4.829 9.424 -17.086 1.00 0.00 H new ATOM 0 HA GLN A 8 2.370 8.878 -15.887 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.843 7.439 -14.363 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.900 7.109 -16.083 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.935 8.934 -15.842 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.010 8.147 -14.278 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.014 8.029 -16.337 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.158 6.341 -16.839 1.00 0.00 H new ATOM 133 N ARG A 9 4.453 10.642 -14.059 1.00 0.00 N ATOM 134 CA ARG A 9 4.536 11.521 -12.910 1.00 0.00 C ATOM 135 C ARG A 9 3.636 12.720 -13.118 1.00 0.00 C ATOM 136 O ARG A 9 3.193 13.336 -12.159 1.00 0.00 O ATOM 137 CB ARG A 9 5.978 11.974 -12.681 1.00 0.00 C ATOM 138 CG ARG A 9 6.593 12.682 -13.877 1.00 0.00 C ATOM 139 CD ARG A 9 8.083 12.401 -13.986 1.00 0.00 C ATOM 140 NE ARG A 9 8.670 13.007 -15.179 1.00 0.00 N ATOM 141 CZ ARG A 9 9.979 13.144 -15.373 1.00 0.00 C ATOM 142 NH1 ARG A 9 10.842 12.721 -14.457 1.00 0.00 N ATOM 143 NH2 ARG A 9 10.429 13.707 -16.486 1.00 0.00 N ATOM 0 H ARG A 9 5.312 10.575 -14.605 1.00 0.00 H new ATOM 0 HA ARG A 9 4.206 10.975 -12.026 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.007 12.642 -11.820 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.587 11.105 -12.431 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.093 12.358 -14.790 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.430 13.756 -13.789 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.589 12.783 -13.099 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.248 11.324 -14.008 1.00 0.00 H new ATOM 0 HE ARG A 9 8.039 13.345 -15.906 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.503 12.288 -13.598 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.844 12.829 -14.612 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.772 14.035 -17.193 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.433 13.812 -16.635 1.00 0.00 H new ATOM 157 N SER A 10 3.356 13.046 -14.375 1.00 0.00 N ATOM 158 CA SER A 10 2.491 14.184 -14.665 1.00 0.00 C ATOM 159 C SER A 10 1.103 13.965 -14.082 1.00 0.00 C ATOM 160 O SER A 10 0.453 14.912 -13.641 1.00 0.00 O ATOM 161 CB SER A 10 2.388 14.441 -16.173 1.00 0.00 C ATOM 162 OG SER A 10 3.393 15.342 -16.608 1.00 0.00 O ATOM 0 H SER A 10 3.707 12.550 -15.194 1.00 0.00 H new ATOM 0 HA SER A 10 2.939 15.062 -14.199 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.482 13.499 -16.713 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.404 14.847 -16.409 1.00 0.00 H new ATOM 0 HG SER A 10 3.212 15.612 -17.533 1.00 0.00 H new ATOM 168 N LYS A 11 0.654 12.717 -14.074 1.00 0.00 N ATOM 169 CA LYS A 11 -0.658 12.399 -13.533 1.00 0.00 C ATOM 170 C LYS A 11 -0.599 12.214 -12.034 1.00 0.00 C ATOM 171 O LYS A 11 -1.435 12.737 -11.306 1.00 0.00 O ATOM 172 CB LYS A 11 -1.234 11.151 -14.204 1.00 0.00 C ATOM 173 CG LYS A 11 -1.077 11.146 -15.716 1.00 0.00 C ATOM 174 CD LYS A 11 -1.796 12.323 -16.357 1.00 0.00 C ATOM 175 CE LYS A 11 -0.877 13.101 -17.287 1.00 0.00 C ATOM 176 NZ LYS A 11 -1.120 14.568 -17.209 1.00 0.00 N ATOM 0 H LYS A 11 1.174 11.916 -14.433 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.318 13.240 -13.745 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.743 10.269 -13.793 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.293 11.071 -13.957 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.018 11.182 -15.973 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.471 10.214 -16.120 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.659 11.962 -16.916 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.174 12.987 -15.579 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.161 12.891 -17.030 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.027 12.762 -18.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.474 15.062 -17.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.104 14.772 -17.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.952 14.896 -16.237 1.00 0.00 H new ATOM 190 N PHE A 12 0.398 11.492 -11.567 1.00 0.00 N ATOM 191 CA PHE A 12 0.553 11.276 -10.152 1.00 0.00 C ATOM 192 C PHE A 12 0.879 12.601 -9.462 1.00 0.00 C ATOM 193 O PHE A 12 0.690 12.744 -8.254 1.00 0.00 O ATOM 194 CB PHE A 12 1.630 10.209 -9.913 1.00 0.00 C ATOM 195 CG PHE A 12 2.412 10.375 -8.648 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.480 11.246 -8.606 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.089 9.650 -7.512 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.218 11.403 -7.447 1.00 0.00 C ATOM 199 CE2 PHE A 12 2.822 9.796 -6.349 1.00 0.00 C ATOM 200 CZ PHE A 12 3.889 10.675 -6.316 1.00 0.00 C ATOM 0 H PHE A 12 1.109 11.048 -12.148 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.376 10.906 -9.719 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.153 9.229 -9.902 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.322 10.218 -10.755 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.743 11.812 -9.488 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.256 8.963 -7.535 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.049 12.092 -7.424 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.562 9.226 -5.469 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.465 10.793 -5.410 1.00 0.00 H new ATOM 210 N GLU A 13 1.375 13.571 -10.239 1.00 0.00 N ATOM 211 CA GLU A 13 1.727 14.877 -9.689 1.00 0.00 C ATOM 212 C GLU A 13 0.646 15.930 -9.951 1.00 0.00 C ATOM 213 O GLU A 13 0.505 16.881 -9.184 1.00 0.00 O ATOM 214 CB GLU A 13 3.078 15.340 -10.257 1.00 0.00 C ATOM 215 CG GLU A 13 3.214 16.846 -10.401 1.00 0.00 C ATOM 216 CD GLU A 13 3.142 17.572 -9.072 1.00 0.00 C ATOM 217 OE1 GLU A 13 3.856 17.162 -8.132 1.00 0.00 O ATOM 218 OE2 GLU A 13 2.371 18.549 -8.970 1.00 0.00 O ATOM 0 H GLU A 13 1.539 13.474 -11.241 1.00 0.00 H new ATOM 0 HA GLU A 13 1.807 14.766 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.875 14.976 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.225 14.879 -11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.163 17.076 -10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.425 17.217 -11.056 1.00 0.00 H new ATOM 225 N ASN A 14 -0.081 15.791 -11.057 1.00 0.00 N ATOM 226 CA ASN A 14 -1.100 16.777 -11.416 1.00 0.00 C ATOM 227 C ASN A 14 -2.515 16.340 -11.046 1.00 0.00 C ATOM 228 O ASN A 14 -3.371 17.181 -10.771 1.00 0.00 O ATOM 229 CB ASN A 14 -1.033 17.076 -12.914 1.00 0.00 C ATOM 230 CG ASN A 14 -1.771 18.348 -13.284 1.00 0.00 C ATOM 231 OD1 ASN A 14 -1.760 19.325 -12.535 1.00 0.00 O ATOM 232 ND2 ASN A 14 -2.418 18.342 -14.444 1.00 0.00 N ATOM 0 H ASN A 14 0.013 15.016 -11.713 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.881 17.675 -10.838 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.010 17.163 -13.218 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.458 16.239 -13.468 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.933 19.170 -14.745 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.400 17.510 -15.034 1.00 0.00 H new ATOM 239 N GLU A 15 -2.775 15.038 -11.045 1.00 0.00 N ATOM 240 CA GLU A 15 -4.112 14.549 -10.710 1.00 0.00 C ATOM 241 C GLU A 15 -4.467 14.905 -9.265 1.00 0.00 C ATOM 242 O GLU A 15 -3.642 14.766 -8.365 1.00 0.00 O ATOM 243 CB GLU A 15 -4.207 13.043 -10.942 1.00 0.00 C ATOM 244 CG GLU A 15 -4.547 12.674 -12.375 1.00 0.00 C ATOM 245 CD GLU A 15 -5.948 13.096 -12.770 1.00 0.00 C ATOM 246 OE1 GLU A 15 -6.135 14.278 -13.126 1.00 0.00 O ATOM 247 OE2 GLU A 15 -6.861 12.243 -12.723 1.00 0.00 O ATOM 0 H GLU A 15 -2.094 14.312 -11.267 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.833 15.037 -11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.258 12.581 -10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.965 12.628 -10.278 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.828 13.142 -13.047 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.447 11.596 -12.502 1.00 0.00 H new ATOM 254 N GLU A 16 -5.690 15.399 -9.064 1.00 0.00 N ATOM 255 CA GLU A 16 -6.145 15.821 -7.734 1.00 0.00 C ATOM 256 C GLU A 16 -6.224 14.661 -6.742 1.00 0.00 C ATOM 257 O GLU A 16 -5.572 14.699 -5.699 1.00 0.00 O ATOM 258 CB GLU A 16 -7.487 16.567 -7.824 1.00 0.00 C ATOM 259 CG GLU A 16 -8.700 15.689 -8.104 1.00 0.00 C ATOM 260 CD GLU A 16 -8.647 15.029 -9.468 1.00 0.00 C ATOM 261 OE1 GLU A 16 -8.825 15.740 -10.479 1.00 0.00 O ATOM 262 OE2 GLU A 16 -8.428 13.801 -9.525 1.00 0.00 O ATOM 0 H GLU A 16 -6.384 15.517 -9.803 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.393 16.509 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.652 17.099 -6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.414 17.319 -8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.770 14.919 -7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.604 16.294 -8.033 1.00 0.00 H new ATOM 269 N PHE A 17 -6.997 13.625 -7.058 1.00 0.00 N ATOM 270 CA PHE A 17 -7.108 12.475 -6.168 1.00 0.00 C ATOM 271 C PHE A 17 -5.752 11.816 -6.055 1.00 0.00 C ATOM 272 O PHE A 17 -5.307 11.442 -4.971 1.00 0.00 O ATOM 273 CB PHE A 17 -8.166 11.490 -6.699 1.00 0.00 C ATOM 274 CG PHE A 17 -7.780 10.038 -6.588 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.870 9.481 -7.473 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.326 9.234 -5.601 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.512 8.150 -7.374 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.972 7.902 -5.498 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.063 7.360 -6.385 1.00 0.00 C ATOM 0 H PHE A 17 -7.549 13.559 -7.913 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.430 12.798 -5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.097 11.648 -6.154 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.366 11.721 -7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.436 10.094 -8.249 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.037 9.653 -4.904 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.802 7.728 -8.070 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.406 7.286 -4.725 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.784 6.320 -6.305 1.00 0.00 H new ATOM 289 N PHE A 18 -5.100 11.693 -7.194 1.00 0.00 N ATOM 290 CA PHE A 18 -3.797 11.102 -7.277 1.00 0.00 C ATOM 291 C PHE A 18 -2.820 11.920 -6.441 1.00 0.00 C ATOM 292 O PHE A 18 -1.832 11.395 -5.942 1.00 0.00 O ATOM 293 CB PHE A 18 -3.403 11.128 -8.740 1.00 0.00 C ATOM 294 CG PHE A 18 -2.601 9.969 -9.200 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.643 9.375 -8.407 1.00 0.00 C ATOM 296 CD2 PHE A 18 -2.843 9.474 -10.455 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.928 8.285 -8.876 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.142 8.390 -10.936 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.181 7.792 -10.147 1.00 0.00 C ATOM 0 H PHE A 18 -5.471 12.006 -8.091 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.788 10.080 -6.897 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.310 11.184 -9.343 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.837 12.040 -8.931 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.449 9.760 -7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.594 9.940 -11.076 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.177 7.821 -8.254 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.344 8.010 -11.927 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.627 6.942 -10.518 1.00 0.00 H new ATOM 309 N ARG A 19 -3.120 13.214 -6.284 1.00 0.00 N ATOM 310 CA ARG A 19 -2.279 14.109 -5.496 1.00 0.00 C ATOM 311 C ARG A 19 -2.633 14.010 -4.016 1.00 0.00 C ATOM 312 O ARG A 19 -1.811 13.588 -3.200 1.00 0.00 O ATOM 313 CB ARG A 19 -2.447 15.556 -5.967 1.00 0.00 C ATOM 314 CG ARG A 19 -1.391 15.998 -6.967 1.00 0.00 C ATOM 315 CD ARG A 19 -1.040 17.466 -6.786 1.00 0.00 C ATOM 316 NE ARG A 19 -2.051 18.345 -7.369 1.00 0.00 N ATOM 317 CZ ARG A 19 -1.837 19.624 -7.670 1.00 0.00 C ATOM 318 NH1 ARG A 19 -0.652 20.177 -7.442 1.00 0.00 N ATOM 319 NH2 ARG A 19 -2.810 20.352 -8.201 1.00 0.00 N ATOM 0 H ARG A 19 -3.940 13.661 -6.694 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.241 13.807 -5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.433 15.670 -6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.414 16.217 -5.101 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.495 15.390 -6.845 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.755 15.831 -7.981 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.937 17.686 -5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.074 17.668 -7.248 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.975 17.956 -7.556 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.100 19.622 -7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.493 21.157 -7.675 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.722 19.932 -8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.646 21.332 -8.432 1.00 0.00 H new ATOM 333 N LYS A 20 -3.870 14.382 -3.670 1.00 0.00 N ATOM 334 CA LYS A 20 -4.312 14.309 -2.279 1.00 0.00 C ATOM 335 C LYS A 20 -3.994 12.935 -1.711 1.00 0.00 C ATOM 336 O LYS A 20 -3.743 12.786 -0.515 1.00 0.00 O ATOM 337 CB LYS A 20 -5.807 14.613 -2.146 1.00 0.00 C ATOM 338 CG LYS A 20 -6.677 13.900 -3.164 1.00 0.00 C ATOM 339 CD LYS A 20 -7.700 14.843 -3.779 1.00 0.00 C ATOM 340 CE LYS A 20 -9.019 14.808 -3.023 1.00 0.00 C ATOM 341 NZ LYS A 20 -9.503 13.415 -2.816 1.00 0.00 N ATOM 0 H LYS A 20 -4.571 14.731 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.774 15.067 -1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.136 14.335 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.958 15.688 -2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.050 13.479 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.190 13.066 -2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.306 15.859 -3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.869 14.568 -4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.897 15.297 -2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.769 15.375 -3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.541 13.414 -2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.206 12.822 -3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.101 13.035 -1.935 1.00 0.00 H new ATOM 355 N LEU A 21 -3.976 11.933 -2.588 1.00 0.00 N ATOM 356 CA LEU A 21 -3.653 10.577 -2.175 1.00 0.00 C ATOM 357 C LEU A 21 -2.146 10.350 -2.269 1.00 0.00 C ATOM 358 O LEU A 21 -1.557 9.709 -1.399 1.00 0.00 O ATOM 359 CB LEU A 21 -4.398 9.548 -3.034 1.00 0.00 C ATOM 360 CG LEU A 21 -5.923 9.490 -2.844 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.416 8.058 -2.977 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.337 10.068 -1.496 1.00 0.00 C ATOM 0 H LEU A 21 -4.180 12.037 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.972 10.448 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.190 9.761 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.987 8.561 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.381 10.098 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.497 8.031 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.166 7.678 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.939 7.437 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.421 10.012 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.867 9.497 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.020 11.109 -1.434 1.00 0.00 H new ATOM 374 N SER A 22 -1.518 10.904 -3.315 1.00 0.00 N ATOM 375 CA SER A 22 -0.068 10.777 -3.498 1.00 0.00 C ATOM 376 C SER A 22 0.683 11.281 -2.270 1.00 0.00 C ATOM 377 O SER A 22 1.872 11.014 -2.107 1.00 0.00 O ATOM 378 CB SER A 22 0.399 11.551 -4.733 1.00 0.00 C ATOM 379 OG SER A 22 1.767 11.912 -4.630 1.00 0.00 O ATOM 0 H SER A 22 -1.989 11.441 -4.043 1.00 0.00 H new ATOM 0 HA SER A 22 0.151 9.719 -3.639 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.248 10.942 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.208 12.448 -4.853 1.00 0.00 H new ATOM 0 HG SER A 22 2.237 11.648 -5.448 1.00 0.00 H new ATOM 385 N ARG A 23 -0.012 12.021 -1.416 1.00 0.00 N ATOM 386 CA ARG A 23 0.597 12.565 -0.214 1.00 0.00 C ATOM 387 C ARG A 23 0.265 11.694 0.991 1.00 0.00 C ATOM 388 O ARG A 23 -0.233 10.577 0.839 1.00 0.00 O ATOM 389 CB ARG A 23 0.109 13.996 0.014 1.00 0.00 C ATOM 390 CG ARG A 23 0.004 14.811 -1.267 1.00 0.00 C ATOM 391 CD ARG A 23 1.260 15.631 -1.512 1.00 0.00 C ATOM 392 NE ARG A 23 0.950 16.992 -1.947 1.00 0.00 N ATOM 393 CZ ARG A 23 0.618 17.977 -1.117 1.00 0.00 C ATOM 394 NH1 ARG A 23 0.543 17.759 0.191 1.00 0.00 N ATOM 395 NH2 ARG A 23 0.359 19.187 -1.596 1.00 0.00 N ATOM 0 H ARG A 23 -0.997 12.257 -1.535 1.00 0.00 H new ATOM 0 HA ARG A 23 1.679 12.577 -0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.867 13.966 0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.790 14.499 0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.166 14.143 -2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.859 15.475 -1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.852 15.669 -0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.872 15.139 -2.268 1.00 0.00 H new ATOM 0 HE ARG A 23 0.991 17.198 -2.945 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.741 16.831 0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.288 18.520 0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.415 19.361 -2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.104 19.943 -0.961 1.00 0.00 H new ATOM 409 N GLU A 24 0.562 12.199 2.183 1.00 0.00 N ATOM 410 CA GLU A 24 0.308 11.455 3.412 1.00 0.00 C ATOM 411 C GLU A 24 -0.848 12.054 4.206 1.00 0.00 C ATOM 412 O GLU A 24 -0.827 13.232 4.561 1.00 0.00 O ATOM 413 CB GLU A 24 1.569 11.423 4.278 1.00 0.00 C ATOM 414 CG GLU A 24 2.165 12.799 4.535 1.00 0.00 C ATOM 415 CD GLU A 24 2.414 13.063 6.007 1.00 0.00 C ATOM 416 OE1 GLU A 24 3.443 12.587 6.530 1.00 0.00 O ATOM 417 OE2 GLU A 24 1.579 13.745 6.638 1.00 0.00 O ATOM 0 H GLU A 24 0.978 13.119 2.325 1.00 0.00 H new ATOM 0 HA GLU A 24 0.031 10.439 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.332 10.954 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.317 10.797 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.104 12.891 3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.492 13.561 4.142 1.00 0.00 H new ATOM 424 N CYS A 25 -1.851 11.227 4.491 1.00 0.00 N ATOM 425 CA CYS A 25 -3.014 11.667 5.255 1.00 0.00 C ATOM 426 C CYS A 25 -3.615 10.519 6.053 1.00 0.00 C ATOM 427 O CYS A 25 -3.528 9.354 5.663 1.00 0.00 O ATOM 428 CB CYS A 25 -4.068 12.308 4.344 1.00 0.00 C ATOM 429 SG CYS A 25 -4.094 11.672 2.650 1.00 0.00 S ATOM 0 H CYS A 25 -1.881 10.249 4.204 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.675 12.426 5.960 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.052 12.158 4.789 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.894 13.383 4.311 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.924 10.383 2.668 1.00 0.00 H new ATOM 435 N GLU A 26 -4.206 10.870 7.190 1.00 0.00 N ATOM 436 CA GLU A 26 -4.815 9.899 8.094 1.00 0.00 C ATOM 437 C GLU A 26 -5.595 8.812 7.358 1.00 0.00 C ATOM 438 O GLU A 26 -6.236 9.060 6.336 1.00 0.00 O ATOM 439 CB GLU A 26 -5.738 10.610 9.084 1.00 0.00 C ATOM 440 CG GLU A 26 -6.641 11.647 8.437 1.00 0.00 C ATOM 441 CD GLU A 26 -6.154 13.065 8.662 1.00 0.00 C ATOM 442 OE1 GLU A 26 -5.769 13.386 9.807 1.00 0.00 O ATOM 443 OE2 GLU A 26 -6.157 13.856 7.695 1.00 0.00 O ATOM 0 H GLU A 26 -4.277 11.835 7.512 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.999 9.409 8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.355 9.868 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.132 11.095 9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.702 11.453 7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.650 11.545 8.837 1.00 0.00 H new ATOM 450 N ILE A 27 -5.537 7.610 7.912 1.00 0.00 N ATOM 451 CA ILE A 27 -6.240 6.456 7.357 1.00 0.00 C ATOM 452 C ILE A 27 -6.877 5.634 8.476 1.00 0.00 C ATOM 453 O ILE A 27 -6.561 5.826 9.650 1.00 0.00 O ATOM 454 CB ILE A 27 -5.302 5.557 6.535 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.080 5.165 7.363 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.881 6.259 5.251 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.203 4.141 6.683 1.00 0.00 C ATOM 0 H ILE A 27 -5.004 7.404 8.757 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.015 6.839 6.693 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.840 4.648 6.266 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.490 6.057 7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.412 4.769 8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.217 5.608 4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.764 6.488 4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.359 7.184 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.353 3.907 7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.779 3.234 6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.843 4.542 5.736 1.00 0.00 H new ATOM 469 N LYS A 28 -7.783 4.727 8.115 1.00 0.00 N ATOM 470 CA LYS A 28 -8.461 3.897 9.110 1.00 0.00 C ATOM 471 C LYS A 28 -9.016 2.614 8.496 1.00 0.00 C ATOM 472 O LYS A 28 -9.127 2.494 7.277 1.00 0.00 O ATOM 473 CB LYS A 28 -9.594 4.687 9.766 1.00 0.00 C ATOM 474 CG LYS A 28 -10.670 5.132 8.787 1.00 0.00 C ATOM 475 CD LYS A 28 -11.921 4.273 8.900 1.00 0.00 C ATOM 476 CE LYS A 28 -13.066 5.037 9.544 1.00 0.00 C ATOM 477 NZ LYS A 28 -13.055 4.908 11.028 1.00 0.00 N ATOM 0 H LYS A 28 -8.063 4.549 7.151 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.724 3.616 9.862 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.052 4.074 10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.176 5.565 10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.926 6.175 8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.282 5.078 7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.221 3.934 7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.700 3.383 9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.999 6.090 9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.014 4.666 9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.851 5.443 11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.145 3.906 11.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.161 5.285 11.403 1.00 0.00 H new ATOM 491 N TYR A 29 -9.371 1.658 9.354 1.00 0.00 N ATOM 492 CA TYR A 29 -9.925 0.383 8.902 1.00 0.00 C ATOM 493 C TYR A 29 -11.424 0.488 8.613 1.00 0.00 C ATOM 494 O TYR A 29 -12.164 1.143 9.348 1.00 0.00 O ATOM 495 CB TYR A 29 -9.669 -0.704 9.945 1.00 0.00 C ATOM 496 CG TYR A 29 -8.936 -1.902 9.386 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.749 -1.751 8.680 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.438 -3.184 9.558 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.083 -2.845 8.162 1.00 0.00 C ATOM 500 CE2 TYR A 29 -8.777 -4.284 9.046 1.00 0.00 C ATOM 501 CZ TYR A 29 -7.600 -4.109 8.347 1.00 0.00 C ATOM 502 OH TYR A 29 -6.939 -5.202 7.829 1.00 0.00 O ATOM 0 H TYR A 29 -9.285 1.743 10.367 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.423 0.117 7.972 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.090 -0.282 10.766 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.622 -1.031 10.362 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.340 -0.762 8.534 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.361 -3.324 10.101 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.162 -2.710 7.615 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.179 -5.276 9.192 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.590 -5.830 7.453 1.00 0.00 H new ATOM 512 N THR A 30 -11.864 -0.173 7.541 1.00 0.00 N ATOM 513 CA THR A 30 -13.275 -0.168 7.156 1.00 0.00 C ATOM 514 C THR A 30 -13.547 -1.177 6.034 1.00 0.00 C ATOM 515 O THR A 30 -14.400 -0.949 5.175 1.00 0.00 O ATOM 516 CB THR A 30 -13.710 1.241 6.734 1.00 0.00 C ATOM 517 OG1 THR A 30 -15.088 1.436 6.993 1.00 0.00 O ATOM 518 CG2 THR A 30 -13.476 1.542 5.268 1.00 0.00 C ATOM 0 H THR A 30 -11.262 -0.719 6.924 1.00 0.00 H new ATOM 0 HA THR A 30 -13.863 -0.468 8.024 1.00 0.00 H new ATOM 0 HB THR A 30 -13.090 1.915 7.324 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.348 2.340 6.719 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.809 2.556 5.047 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.413 1.452 5.043 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.037 0.835 4.657 1.00 0.00 H new ATOM 526 N GLY A 31 -12.816 -2.289 6.043 1.00 0.00 N ATOM 527 CA GLY A 31 -12.995 -3.301 5.014 1.00 0.00 C ATOM 528 C GLY A 31 -13.826 -4.487 5.473 1.00 0.00 C ATOM 529 O GLY A 31 -15.049 -4.488 5.333 1.00 0.00 O ATOM 0 H GLY A 31 -12.105 -2.507 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.473 -2.846 4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.017 -3.656 4.690 1.00 0.00 H new ATOM 533 N PHE A 32 -13.159 -5.499 6.022 1.00 0.00 N ATOM 534 CA PHE A 32 -13.839 -6.702 6.506 1.00 0.00 C ATOM 535 C PHE A 32 -14.040 -6.638 8.015 1.00 0.00 C ATOM 536 O PHE A 32 -14.570 -7.566 8.627 1.00 0.00 O ATOM 537 CB PHE A 32 -13.032 -7.953 6.152 1.00 0.00 C ATOM 538 CG PHE A 32 -11.547 -7.771 6.287 1.00 0.00 C ATOM 539 CD1 PHE A 32 -10.905 -8.031 7.489 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.794 -7.338 5.211 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.535 -7.863 7.610 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.428 -7.168 5.323 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.797 -7.431 6.525 1.00 0.00 C ATOM 0 H PHE A 32 -12.146 -5.512 6.144 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.813 -6.754 6.020 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.349 -8.773 6.796 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.262 -8.245 5.127 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.479 -8.368 8.339 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.281 -7.130 4.270 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.045 -8.069 8.550 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.854 -6.830 4.473 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.729 -7.299 6.615 1.00 0.00 H new ATOM 553 N ARG A 33 -13.591 -5.541 8.602 1.00 0.00 N ATOM 554 CA ARG A 33 -13.681 -5.327 10.035 1.00 0.00 C ATOM 555 C ARG A 33 -15.000 -4.674 10.439 1.00 0.00 C ATOM 556 O ARG A 33 -15.314 -4.570 11.625 1.00 0.00 O ATOM 557 CB ARG A 33 -12.494 -4.474 10.474 1.00 0.00 C ATOM 558 CG ARG A 33 -12.822 -3.006 10.700 1.00 0.00 C ATOM 559 CD ARG A 33 -13.350 -2.340 9.441 1.00 0.00 C ATOM 560 NE ARG A 33 -14.613 -1.644 9.677 1.00 0.00 N ATOM 561 CZ ARG A 33 -14.771 -0.666 10.566 1.00 0.00 C ATOM 562 NH1 ARG A 33 -13.743 -0.237 11.288 1.00 0.00 N ATOM 563 NH2 ARG A 33 -15.962 -0.102 10.723 1.00 0.00 N ATOM 0 H ARG A 33 -13.153 -4.772 8.095 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.653 -6.295 10.536 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.086 -4.888 11.396 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.712 -4.546 9.719 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.563 -2.918 11.494 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.928 -2.483 11.039 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.610 -1.632 9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.490 -3.092 8.665 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.424 -1.925 9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.822 -0.657 11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.874 0.513 11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.754 -0.418 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.086 0.648 11.404 1.00 0.00 H new ATOM 577 N ASP A 34 -15.763 -4.226 9.452 1.00 0.00 N ATOM 578 CA ASP A 34 -17.043 -3.566 9.704 1.00 0.00 C ATOM 579 C ASP A 34 -17.943 -4.385 10.633 1.00 0.00 C ATOM 580 O ASP A 34 -18.967 -3.886 11.099 1.00 0.00 O ATOM 581 CB ASP A 34 -17.769 -3.307 8.383 1.00 0.00 C ATOM 582 CG ASP A 34 -18.592 -2.033 8.418 1.00 0.00 C ATOM 583 OD1 ASP A 34 -19.161 -1.724 9.485 1.00 0.00 O ATOM 584 OD2 ASP A 34 -18.665 -1.347 7.377 1.00 0.00 O ATOM 0 H ASP A 34 -15.520 -4.306 8.465 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.826 -2.620 10.201 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.039 -3.243 7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.420 -4.151 8.157 1.00 0.00 H new ATOM 589 N ARG A 35 -17.563 -5.629 10.916 1.00 0.00 N ATOM 590 CA ARG A 35 -18.353 -6.470 11.804 1.00 0.00 C ATOM 591 C ARG A 35 -17.524 -6.926 13.008 1.00 0.00 C ATOM 592 O ARG A 35 -17.878 -6.634 14.150 1.00 0.00 O ATOM 593 CB ARG A 35 -18.944 -7.677 11.058 1.00 0.00 C ATOM 594 CG ARG A 35 -19.133 -7.448 9.565 1.00 0.00 C ATOM 595 CD ARG A 35 -17.857 -7.723 8.787 1.00 0.00 C ATOM 596 NE ARG A 35 -17.987 -7.366 7.376 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.174 -7.808 6.420 1.00 0.00 C ATOM 598 NH1 ARG A 35 -16.171 -8.626 6.718 1.00 0.00 N ATOM 599 NH2 ARG A 35 -17.363 -7.434 5.163 1.00 0.00 N ATOM 0 H ARG A 35 -16.721 -6.071 10.546 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.185 -5.869 12.171 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.290 -8.537 11.204 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.907 -7.930 11.502 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.930 -8.093 9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.450 -6.420 9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.035 -7.160 9.229 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -17.602 -8.779 8.871 1.00 0.00 H new ATOM 0 HE ARG A 35 -18.747 -6.740 7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.021 -8.918 7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.551 -8.962 5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.132 -6.807 4.928 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.739 -7.773 4.431 1.00 0.00 H new ATOM 613 N PRO A 36 -16.414 -7.659 12.782 1.00 0.00 N ATOM 614 CA PRO A 36 -15.557 -8.159 13.841 1.00 0.00 C ATOM 615 C PRO A 36 -14.242 -7.385 13.956 1.00 0.00 C ATOM 616 O PRO A 36 -13.182 -7.903 13.601 1.00 0.00 O ATOM 617 CB PRO A 36 -15.289 -9.568 13.329 1.00 0.00 C ATOM 618 CG PRO A 36 -15.197 -9.408 11.836 1.00 0.00 C ATOM 619 CD PRO A 36 -15.889 -8.103 11.486 1.00 0.00 C ATOM 0 HA PRO A 36 -16.002 -8.084 14.833 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.366 -9.973 13.744 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.091 -10.252 13.607 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.156 -9.391 11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.674 -10.246 11.328 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.195 -7.378 11.060 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.685 -8.250 10.756 1.00 0.00 H new ATOM 627 N HIS A 37 -14.301 -6.148 14.445 1.00 0.00 N ATOM 628 CA HIS A 37 -13.090 -5.343 14.584 1.00 0.00 C ATOM 629 C HIS A 37 -12.101 -6.012 15.543 1.00 0.00 C ATOM 630 O HIS A 37 -10.976 -6.331 15.166 1.00 0.00 O ATOM 631 CB HIS A 37 -13.420 -3.920 15.055 1.00 0.00 C ATOM 632 CG HIS A 37 -12.289 -2.949 14.860 1.00 0.00 C ATOM 633 ND1 HIS A 37 -11.354 -2.684 15.838 1.00 0.00 N ATOM 634 CD2 HIS A 37 -11.924 -2.194 13.787 1.00 0.00 C ATOM 635 CE1 HIS A 37 -10.467 -1.820 15.378 1.00 0.00 C ATOM 636 NE2 HIS A 37 -10.791 -1.506 14.139 1.00 0.00 N ATOM 0 H HIS A 37 -15.159 -5.687 14.747 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.623 -5.272 13.602 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.295 -3.560 14.514 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -13.687 -3.948 16.111 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.432 -2.146 12.835 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -9.619 -1.435 15.925 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -10.282 -0.857 13.540 1.00 0.00 H new ATOM 645 N GLU A 38 -12.520 -6.231 16.785 1.00 0.00 N ATOM 646 CA GLU A 38 -11.651 -6.866 17.778 1.00 0.00 C ATOM 647 C GLU A 38 -10.974 -8.115 17.217 1.00 0.00 C ATOM 648 O GLU A 38 -9.866 -8.463 17.623 1.00 0.00 O ATOM 649 CB GLU A 38 -12.446 -7.218 19.038 1.00 0.00 C ATOM 650 CG GLU A 38 -12.288 -6.205 20.160 1.00 0.00 C ATOM 651 CD GLU A 38 -13.274 -6.427 21.290 1.00 0.00 C ATOM 652 OE1 GLU A 38 -14.465 -6.097 21.112 1.00 0.00 O ATOM 653 OE2 GLU A 38 -12.856 -6.933 22.353 1.00 0.00 O ATOM 0 H GLU A 38 -13.447 -5.982 17.129 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.871 -6.150 18.037 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.502 -7.300 18.780 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.128 -8.197 19.396 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.273 -6.259 20.553 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.421 -5.200 19.759 1.00 0.00 H new ATOM 660 N GLU A 39 -11.623 -8.762 16.257 1.00 0.00 N ATOM 661 CA GLU A 39 -11.053 -9.939 15.617 1.00 0.00 C ATOM 662 C GLU A 39 -10.149 -9.476 14.504 1.00 0.00 C ATOM 663 O GLU A 39 -9.063 -10.013 14.285 1.00 0.00 O ATOM 664 CB GLU A 39 -12.141 -10.854 15.061 1.00 0.00 C ATOM 665 CG GLU A 39 -11.628 -12.221 14.636 1.00 0.00 C ATOM 666 CD GLU A 39 -12.379 -13.360 15.298 1.00 0.00 C ATOM 667 OE1 GLU A 39 -12.209 -13.552 16.520 1.00 0.00 O ATOM 668 OE2 GLU A 39 -13.137 -14.059 14.594 1.00 0.00 O ATOM 0 H GLU A 39 -12.542 -8.492 15.906 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.492 -10.513 16.355 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.915 -10.985 15.817 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.610 -10.369 14.205 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.713 -12.316 13.553 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.569 -12.299 14.881 1.00 0.00 H new ATOM 675 N ARG A 40 -10.612 -8.436 13.821 1.00 0.00 N ATOM 676 CA ARG A 40 -9.868 -7.831 12.740 1.00 0.00 C ATOM 677 C ARG A 40 -8.432 -7.589 13.185 1.00 0.00 C ATOM 678 O ARG A 40 -7.509 -7.608 12.377 1.00 0.00 O ATOM 679 CB ARG A 40 -10.560 -6.530 12.319 1.00 0.00 C ATOM 680 CG ARG A 40 -9.655 -5.307 12.257 1.00 0.00 C ATOM 681 CD ARG A 40 -9.652 -4.535 13.571 1.00 0.00 C ATOM 682 NE ARG A 40 -8.373 -4.629 14.281 1.00 0.00 N ATOM 683 CZ ARG A 40 -8.236 -4.461 15.594 1.00 0.00 C ATOM 684 NH1 ARG A 40 -9.300 -4.392 16.379 1.00 0.00 N ATOM 685 NH2 ARG A 40 -7.024 -4.409 16.132 1.00 0.00 N ATOM 0 H ARG A 40 -11.513 -7.994 14.006 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.842 -8.496 11.876 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.012 -6.678 11.338 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.372 -6.327 13.017 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.639 -5.619 12.017 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.985 -4.651 11.451 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.876 -3.487 13.372 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.447 -4.915 14.212 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.537 -4.836 13.735 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.235 -4.468 15.979 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.185 -4.263 17.384 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.199 -4.498 15.539 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.918 -4.280 17.138 1.00 0.00 H new ATOM 699 N GLN A 41 -8.253 -7.381 14.489 1.00 0.00 N ATOM 700 CA GLN A 41 -6.921 -7.165 15.043 1.00 0.00 C ATOM 701 C GLN A 41 -5.991 -8.267 14.554 1.00 0.00 C ATOM 702 O GLN A 41 -4.864 -8.013 14.126 1.00 0.00 O ATOM 703 CB GLN A 41 -6.962 -7.136 16.579 1.00 0.00 C ATOM 704 CG GLN A 41 -7.175 -8.494 17.231 1.00 0.00 C ATOM 705 CD GLN A 41 -5.875 -9.230 17.486 1.00 0.00 C ATOM 706 OE1 GLN A 41 -4.830 -8.880 16.938 1.00 0.00 O ATOM 707 NE2 GLN A 41 -5.932 -10.257 18.327 1.00 0.00 N ATOM 0 H GLN A 41 -9.008 -7.358 15.175 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.548 -6.198 14.705 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.027 -6.713 16.947 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.761 -6.466 16.896 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.703 -8.361 18.175 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.814 -9.103 16.592 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.819 -10.513 18.760 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.088 -10.789 18.540 1.00 0.00 H new ATOM 716 N THR A 42 -6.501 -9.493 14.586 1.00 0.00 N ATOM 717 CA THR A 42 -5.756 -10.645 14.119 1.00 0.00 C ATOM 718 C THR A 42 -5.935 -10.798 12.618 1.00 0.00 C ATOM 719 O THR A 42 -5.044 -11.288 11.927 1.00 0.00 O ATOM 720 CB THR A 42 -6.218 -11.916 14.836 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.347 -11.688 16.227 1.00 0.00 O ATOM 722 CG2 THR A 42 -5.276 -13.084 14.648 1.00 0.00 C ATOM 0 H THR A 42 -7.435 -9.710 14.934 1.00 0.00 H new ATOM 0 HA THR A 42 -4.700 -10.491 14.342 1.00 0.00 H new ATOM 0 HB THR A 42 -7.178 -12.168 14.387 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.641 -12.172 16.705 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.662 -13.952 15.182 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.193 -13.318 13.587 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.293 -12.825 15.040 1.00 0.00 H new ATOM 730 N ARG A 43 -7.089 -10.364 12.110 1.00 0.00 N ATOM 731 CA ARG A 43 -7.349 -10.457 10.677 1.00 0.00 C ATOM 732 C ARG A 43 -6.402 -9.546 9.907 1.00 0.00 C ATOM 733 O ARG A 43 -5.949 -9.886 8.814 1.00 0.00 O ATOM 734 CB ARG A 43 -8.797 -10.096 10.349 1.00 0.00 C ATOM 735 CG ARG A 43 -9.819 -10.835 11.195 1.00 0.00 C ATOM 736 CD ARG A 43 -9.692 -12.341 11.034 1.00 0.00 C ATOM 737 NE ARG A 43 -9.790 -12.751 9.635 1.00 0.00 N ATOM 738 CZ ARG A 43 -10.920 -12.729 8.933 1.00 0.00 C ATOM 739 NH1 ARG A 43 -12.051 -12.323 9.496 1.00 0.00 N ATOM 740 NH2 ARG A 43 -10.921 -13.115 7.664 1.00 0.00 N ATOM 0 H ARG A 43 -7.844 -9.953 12.659 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.179 -11.491 10.376 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.934 -9.023 10.485 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.986 -10.311 9.297 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.686 -10.568 12.243 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.823 -10.521 10.911 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.737 -12.670 11.442 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.473 -12.835 11.612 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.942 -13.073 9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.057 -12.026 10.472 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.914 -12.308 8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.055 -13.429 7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.788 -13.098 7.126 1.00 0.00 H new ATOM 754 N PHE A 44 -6.090 -8.392 10.492 1.00 0.00 N ATOM 755 CA PHE A 44 -5.188 -7.445 9.875 1.00 0.00 C ATOM 756 C PHE A 44 -3.747 -7.905 10.086 1.00 0.00 C ATOM 757 O PHE A 44 -2.952 -7.946 9.147 1.00 0.00 O ATOM 758 CB PHE A 44 -5.416 -6.055 10.468 1.00 0.00 C ATOM 759 CG PHE A 44 -4.191 -5.206 10.473 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.822 -4.493 9.347 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.406 -5.138 11.601 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.684 -3.717 9.349 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.261 -4.365 11.616 1.00 0.00 C ATOM 764 CZ PHE A 44 -1.899 -3.652 10.486 1.00 0.00 C ATOM 0 H PHE A 44 -6.455 -8.097 11.397 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.380 -7.393 8.803 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.197 -5.549 9.900 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.781 -6.159 11.490 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.432 -4.545 8.457 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.688 -5.694 12.483 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.406 -3.161 8.466 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.651 -4.317 12.506 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.005 -3.046 10.492 1.00 0.00 H new ATOM 774 N GLN A 45 -3.425 -8.268 11.329 1.00 0.00 N ATOM 775 CA GLN A 45 -2.089 -8.748 11.662 1.00 0.00 C ATOM 776 C GLN A 45 -1.791 -10.042 10.909 1.00 0.00 C ATOM 777 O GLN A 45 -0.636 -10.355 10.620 1.00 0.00 O ATOM 778 CB GLN A 45 -1.964 -8.976 13.170 1.00 0.00 C ATOM 779 CG GLN A 45 -1.280 -7.833 13.904 1.00 0.00 C ATOM 780 CD GLN A 45 -0.528 -8.298 15.135 1.00 0.00 C ATOM 781 OE1 GLN A 45 0.665 -8.592 15.074 1.00 0.00 O ATOM 782 NE2 GLN A 45 -1.226 -8.368 16.263 1.00 0.00 N ATOM 0 H GLN A 45 -4.071 -8.238 12.117 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.364 -7.991 11.363 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.959 -9.123 13.590 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.405 -9.895 13.345 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.587 -7.334 13.226 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.027 -7.095 14.196 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.214 -8.114 16.268 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.774 -8.675 17.124 1.00 0.00 H new ATOM 791 N ASN A 46 -2.850 -10.774 10.576 1.00 0.00 N ATOM 792 CA ASN A 46 -2.724 -12.022 9.834 1.00 0.00 C ATOM 793 C ASN A 46 -2.686 -11.725 8.343 1.00 0.00 C ATOM 794 O ASN A 46 -2.085 -12.461 7.560 1.00 0.00 O ATOM 795 CB ASN A 46 -3.888 -12.964 10.154 1.00 0.00 C ATOM 796 CG ASN A 46 -3.733 -14.319 9.493 1.00 0.00 C ATOM 797 OD1 ASN A 46 -2.620 -14.759 9.204 1.00 0.00 O ATOM 798 ND2 ASN A 46 -4.853 -14.990 9.250 1.00 0.00 N ATOM 0 H ASN A 46 -3.810 -10.521 10.810 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.797 -12.514 10.130 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.959 -13.095 11.234 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.822 -12.508 9.826 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.812 -15.908 8.807 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.754 -14.587 9.506 1.00 0.00 H new ATOM 805 N ALA A 47 -3.307 -10.612 7.966 1.00 0.00 N ATOM 806 CA ALA A 47 -3.323 -10.176 6.584 1.00 0.00 C ATOM 807 C ALA A 47 -1.930 -9.712 6.209 1.00 0.00 C ATOM 808 O ALA A 47 -1.483 -9.882 5.074 1.00 0.00 O ATOM 809 CB ALA A 47 -4.339 -9.061 6.385 1.00 0.00 C ATOM 0 H ALA A 47 -3.807 -9.996 8.607 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.617 -11.004 5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.336 -8.748 5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.332 -9.422 6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.078 -8.214 7.019 1.00 0.00 H new ATOM 815 N CYS A 48 -1.232 -9.161 7.198 1.00 0.00 N ATOM 816 CA CYS A 48 0.133 -8.710 7.001 1.00 0.00 C ATOM 817 C CYS A 48 1.019 -9.916 6.721 1.00 0.00 C ATOM 818 O CYS A 48 2.101 -9.790 6.149 1.00 0.00 O ATOM 819 CB CYS A 48 0.635 -7.955 8.234 1.00 0.00 C ATOM 820 SG CYS A 48 1.520 -6.425 7.854 1.00 0.00 S ATOM 0 H CYS A 48 -1.593 -9.018 8.141 1.00 0.00 H new ATOM 0 HA CYS A 48 0.167 -8.027 6.152 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.215 -7.721 8.874 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.293 -8.610 8.805 1.00 0.00 H new ATOM 0 HG CYS A 48 1.902 -5.859 8.960 1.00 0.00 H new ATOM 826 N ARG A 49 0.535 -11.093 7.121 1.00 0.00 N ATOM 827 CA ARG A 49 1.269 -12.330 6.901 1.00 0.00 C ATOM 828 C ARG A 49 1.059 -12.812 5.466 1.00 0.00 C ATOM 829 O ARG A 49 1.929 -13.459 4.883 1.00 0.00 O ATOM 830 CB ARG A 49 0.825 -13.399 7.915 1.00 0.00 C ATOM 831 CG ARG A 49 0.712 -14.804 7.341 1.00 0.00 C ATOM 832 CD ARG A 49 0.439 -15.829 8.429 1.00 0.00 C ATOM 833 NE ARG A 49 0.410 -17.192 7.902 1.00 0.00 N ATOM 834 CZ ARG A 49 1.501 -17.902 7.621 1.00 0.00 C ATOM 835 NH1 ARG A 49 2.706 -17.384 7.817 1.00 0.00 N ATOM 836 NH2 ARG A 49 1.385 -19.135 7.146 1.00 0.00 N ATOM 0 H ARG A 49 -0.359 -11.211 7.597 1.00 0.00 H new ATOM 0 HA ARG A 49 2.333 -12.147 7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.535 -13.414 8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.141 -13.110 8.329 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.089 -14.833 6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.635 -15.061 6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.207 -15.754 9.199 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.514 -15.605 8.907 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.499 -17.625 7.740 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.801 -16.437 8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.538 -17.932 7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.460 -19.539 6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.220 -19.679 6.931 1.00 0.00 H new ATOM 850 N ASP A 50 -0.101 -12.480 4.903 1.00 0.00 N ATOM 851 CA ASP A 50 -0.427 -12.865 3.535 1.00 0.00 C ATOM 852 C ASP A 50 -0.063 -11.754 2.551 1.00 0.00 C ATOM 853 O ASP A 50 -0.361 -11.848 1.360 1.00 0.00 O ATOM 854 CB ASP A 50 -1.916 -13.197 3.419 1.00 0.00 C ATOM 855 CG ASP A 50 -2.205 -14.661 3.686 1.00 0.00 C ATOM 856 OD1 ASP A 50 -1.282 -15.487 3.528 1.00 0.00 O ATOM 857 OD2 ASP A 50 -3.354 -14.981 4.054 1.00 0.00 O ATOM 0 H ASP A 50 -0.830 -11.945 5.375 1.00 0.00 H new ATOM 0 HA ASP A 50 0.158 -13.750 3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.478 -12.584 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.267 -12.937 2.420 1.00 0.00 H new ATOM 862 N GLY A 51 0.588 -10.704 3.052 1.00 0.00 N ATOM 863 CA GLY A 51 0.985 -9.598 2.202 1.00 0.00 C ATOM 864 C GLY A 51 -0.196 -8.883 1.574 1.00 0.00 C ATOM 865 O GLY A 51 -0.086 -8.340 0.477 1.00 0.00 O ATOM 0 H GLY A 51 0.846 -10.602 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.565 -8.885 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.640 -9.969 1.414 1.00 0.00 H new ATOM 869 N ARG A 52 -1.328 -8.885 2.269 1.00 0.00 N ATOM 870 CA ARG A 52 -2.529 -8.230 1.770 1.00 0.00 C ATOM 871 C ARG A 52 -3.410 -7.724 2.899 1.00 0.00 C ATOM 872 O ARG A 52 -3.765 -8.468 3.809 1.00 0.00 O ATOM 873 CB ARG A 52 -3.323 -9.187 0.894 1.00 0.00 C ATOM 874 CG ARG A 52 -2.812 -9.222 -0.525 1.00 0.00 C ATOM 875 CD ARG A 52 -2.388 -10.621 -0.934 1.00 0.00 C ATOM 876 NE ARG A 52 -3.533 -11.470 -1.257 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.487 -12.800 -1.280 1.00 0.00 C ATOM 878 NH1 ARG A 52 -2.358 -13.438 -1.004 1.00 0.00 N ATOM 879 NH2 ARG A 52 -4.576 -13.494 -1.583 1.00 0.00 N ATOM 0 H ARG A 52 -1.438 -9.333 3.179 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.209 -7.370 1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.276 -10.189 1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.372 -8.890 0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.589 -8.865 -1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.966 -8.542 -0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.727 -10.561 -1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.816 -11.077 -0.126 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.420 -11.017 -1.478 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.517 -12.909 -0.772 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.330 -14.457 -1.024 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.447 -13.008 -1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.543 -14.513 -1.601 1.00 0.00 H new ATOM 893 N SER A 53 -3.773 -6.452 2.812 1.00 0.00 N ATOM 894 CA SER A 53 -4.637 -5.832 3.811 1.00 0.00 C ATOM 895 C SER A 53 -5.579 -4.819 3.166 1.00 0.00 C ATOM 896 O SER A 53 -5.237 -4.183 2.164 1.00 0.00 O ATOM 897 CB SER A 53 -3.806 -5.165 4.913 1.00 0.00 C ATOM 898 OG SER A 53 -3.825 -3.751 4.798 1.00 0.00 O ATOM 0 H SER A 53 -3.483 -5.827 2.060 1.00 0.00 H new ATOM 0 HA SER A 53 -5.240 -6.618 4.264 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.194 -5.456 5.889 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.777 -5.521 4.860 1.00 0.00 H new ATOM 0 HG SER A 53 -3.287 -3.357 5.516 1.00 0.00 H new ATOM 904 N GLU A 54 -6.758 -4.663 3.758 1.00 0.00 N ATOM 905 CA GLU A 54 -7.747 -3.715 3.262 1.00 0.00 C ATOM 906 C GLU A 54 -7.813 -2.508 4.189 1.00 0.00 C ATOM 907 O GLU A 54 -8.436 -2.565 5.251 1.00 0.00 O ATOM 908 CB GLU A 54 -9.122 -4.378 3.161 1.00 0.00 C ATOM 909 CG GLU A 54 -10.021 -3.758 2.105 1.00 0.00 C ATOM 910 CD GLU A 54 -11.146 -4.681 1.681 1.00 0.00 C ATOM 911 OE1 GLU A 54 -10.963 -5.914 1.762 1.00 0.00 O ATOM 912 OE2 GLU A 54 -12.208 -4.172 1.268 1.00 0.00 O ATOM 0 H GLU A 54 -7.052 -5.183 4.585 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.450 -3.386 2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.990 -5.437 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.618 -4.316 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.443 -2.831 2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.423 -3.496 1.232 1.00 0.00 H new ATOM 919 N ILE A 55 -7.156 -1.424 3.794 1.00 0.00 N ATOM 920 CA ILE A 55 -7.129 -0.213 4.607 1.00 0.00 C ATOM 921 C ILE A 55 -7.909 0.917 3.948 1.00 0.00 C ATOM 922 O ILE A 55 -7.843 1.111 2.734 1.00 0.00 O ATOM 923 CB ILE A 55 -5.680 0.264 4.883 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.671 -0.538 4.053 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.359 0.148 6.368 1.00 0.00 C ATOM 926 CD1 ILE A 55 -3.231 -0.138 4.294 1.00 0.00 C ATOM 0 H ILE A 55 -6.636 -1.358 2.919 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.601 -0.469 5.555 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.604 1.311 4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.787 -1.598 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.902 -0.412 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.338 0.486 6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.052 0.766 6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.457 -0.891 6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.575 -0.748 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.098 0.913 4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.982 -0.291 5.344 1.00 0.00 H new ATOM 938 N ALA A 56 -8.643 1.668 4.763 1.00 0.00 N ATOM 939 CA ALA A 56 -9.431 2.788 4.272 1.00 0.00 C ATOM 940 C ALA A 56 -8.606 4.065 4.287 1.00 0.00 C ATOM 941 O ALA A 56 -7.657 4.191 5.061 1.00 0.00 O ATOM 942 CB ALA A 56 -10.689 2.963 5.107 1.00 0.00 C ATOM 0 H ALA A 56 -8.707 1.519 5.770 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.725 2.576 3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.265 3.805 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.291 2.056 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.414 3.153 6.144 1.00 0.00 H new ATOM 948 N PHE A 57 -8.958 5.007 3.424 1.00 0.00 N ATOM 949 CA PHE A 57 -8.230 6.263 3.343 1.00 0.00 C ATOM 950 C PHE A 57 -9.124 7.419 3.795 1.00 0.00 C ATOM 951 O PHE A 57 -10.210 7.618 3.253 1.00 0.00 O ATOM 952 CB PHE A 57 -7.764 6.480 1.901 1.00 0.00 C ATOM 953 CG PHE A 57 -6.460 7.217 1.774 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.948 7.957 2.827 1.00 0.00 C ATOM 955 CD2 PHE A 57 -5.736 7.146 0.596 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.740 8.615 2.705 1.00 0.00 C ATOM 957 CE2 PHE A 57 -4.527 7.799 0.467 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.028 8.536 1.523 1.00 0.00 C ATOM 0 H PHE A 57 -9.739 4.926 2.773 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.361 6.226 4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.668 5.510 1.413 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.534 7.033 1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.499 8.020 3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.123 6.572 -0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.352 9.191 3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.972 7.734 -0.457 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.083 9.050 1.425 1.00 0.00 H new ATOM 968 N VAL A 58 -8.670 8.170 4.796 1.00 0.00 N ATOM 969 CA VAL A 58 -9.449 9.292 5.316 1.00 0.00 C ATOM 970 C VAL A 58 -9.369 10.509 4.399 1.00 0.00 C ATOM 971 O VAL A 58 -10.208 11.407 4.477 1.00 0.00 O ATOM 972 CB VAL A 58 -8.991 9.700 6.730 1.00 0.00 C ATOM 973 CG1 VAL A 58 -9.967 10.698 7.336 1.00 0.00 C ATOM 974 CG2 VAL A 58 -8.846 8.476 7.624 1.00 0.00 C ATOM 0 H VAL A 58 -7.774 8.024 5.260 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.482 8.947 5.362 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.015 10.178 6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.630 10.976 8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.015 11.588 6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.957 10.246 7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.522 8.787 8.617 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.806 7.965 7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.106 7.799 7.197 1.00 0.00 H new ATOM 984 N ALA A 59 -8.359 10.539 3.531 1.00 0.00 N ATOM 985 CA ALA A 59 -8.179 11.652 2.603 1.00 0.00 C ATOM 986 C ALA A 59 -9.498 12.029 1.932 1.00 0.00 C ATOM 987 O ALA A 59 -9.938 13.176 2.005 1.00 0.00 O ATOM 988 CB ALA A 59 -7.133 11.300 1.555 1.00 0.00 C ATOM 0 H ALA A 59 -7.654 9.806 3.452 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.833 12.515 3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.008 12.138 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.183 11.088 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.457 10.421 0.998 1.00 0.00 H new ATOM 994 N THR A 60 -10.124 11.052 1.287 1.00 0.00 N ATOM 995 CA THR A 60 -11.396 11.273 0.609 1.00 0.00 C ATOM 996 C THR A 60 -12.338 10.084 0.809 1.00 0.00 C ATOM 997 O THR A 60 -13.329 9.938 0.093 1.00 0.00 O ATOM 998 CB THR A 60 -11.169 11.530 -0.885 1.00 0.00 C ATOM 999 OG1 THR A 60 -12.378 11.385 -1.610 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.145 10.607 -1.513 1.00 0.00 C ATOM 0 H THR A 60 -9.771 10.097 1.219 1.00 0.00 H new ATOM 0 HA THR A 60 -11.865 12.154 1.048 1.00 0.00 H new ATOM 0 HB THR A 60 -10.791 12.551 -0.941 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.060 10.983 -1.032 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.038 10.848 -2.571 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.185 10.734 -1.013 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.474 9.573 -1.408 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.025 9.238 1.789 1.00 0.00 N ATOM 1009 CA GLY A 61 -12.855 8.079 2.063 1.00 0.00 C ATOM 1010 C GLY A 61 -12.822 7.063 0.939 1.00 0.00 C ATOM 1011 O GLY A 61 -13.849 6.771 0.325 1.00 0.00 O ATOM 0 H GLY A 61 -11.212 9.336 2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.520 7.606 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.883 8.403 2.226 1.00 0.00 H new ATOM 1015 N THR A 62 -11.638 6.526 0.665 1.00 0.00 N ATOM 1016 CA THR A 62 -11.475 5.541 -0.397 1.00 0.00 C ATOM 1017 C THR A 62 -10.915 4.229 0.145 1.00 0.00 C ATOM 1018 O THR A 62 -9.911 4.218 0.857 1.00 0.00 O ATOM 1019 CB THR A 62 -10.550 6.089 -1.487 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.325 5.115 -2.490 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.198 6.529 -0.962 1.00 0.00 C ATOM 0 H THR A 62 -10.778 6.756 1.163 1.00 0.00 H new ATOM 0 HA THR A 62 -12.459 5.342 -0.823 1.00 0.00 H new ATOM 0 HB THR A 62 -11.065 6.960 -1.891 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.733 5.485 -3.178 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.593 6.906 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.334 7.317 -0.221 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.693 5.680 -0.500 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.561 3.121 -0.211 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.112 1.804 0.226 1.00 0.00 C ATOM 1031 C ASN A 63 -9.949 1.346 -0.644 1.00 0.00 C ATOM 1032 O ASN A 63 -9.930 1.609 -1.847 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.258 0.793 0.150 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.856 -0.577 0.659 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.016 -0.699 1.550 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -12.457 -1.618 0.093 1.00 0.00 N ATOM 0 H ASN A 63 -12.394 3.110 -0.799 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.782 1.870 1.263 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.102 1.161 0.733 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.596 0.709 -0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.228 -2.565 0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.148 -1.470 -0.643 1.00 0.00 H new ATOM 1043 N LEU A 64 -8.967 0.684 -0.040 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.802 0.235 -0.791 1.00 0.00 C ATOM 1045 C LEU A 64 -7.305 -1.134 -0.343 1.00 0.00 C ATOM 1046 O LEU A 64 -6.923 -1.325 0.811 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.668 1.249 -0.647 1.00 0.00 C ATOM 1048 CG LEU A 64 -6.987 2.658 -1.156 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.766 3.687 -0.058 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -6.141 2.990 -2.377 1.00 0.00 C ATOM 0 H LEU A 64 -8.954 0.450 0.953 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.112 0.150 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.391 1.314 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.796 0.874 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.037 2.687 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.998 4.681 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.416 3.462 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.726 3.656 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.382 3.995 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.085 2.941 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.350 2.272 -3.170 1.00 0.00 H new ATOM 1062 N SER A 65 -7.266 -2.067 -1.286 1.00 0.00 N ATOM 1063 CA SER A 65 -6.759 -3.406 -1.024 1.00 0.00 C ATOM 1064 C SER A 65 -5.358 -3.500 -1.608 1.00 0.00 C ATOM 1065 O SER A 65 -5.190 -3.596 -2.824 1.00 0.00 O ATOM 1066 CB SER A 65 -7.671 -4.464 -1.649 1.00 0.00 C ATOM 1067 OG SER A 65 -9.036 -4.141 -1.453 1.00 0.00 O ATOM 0 H SER A 65 -7.582 -1.918 -2.244 1.00 0.00 H new ATOM 0 HA SER A 65 -6.734 -3.590 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.463 -4.544 -2.716 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.458 -5.438 -1.209 1.00 0.00 H new ATOM 0 HG SER A 65 -9.598 -4.831 -1.863 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.350 -3.418 -0.749 1.00 0.00 N ATOM 1074 CA LEU A 66 -2.967 -3.437 -1.211 1.00 0.00 C ATOM 1075 C LEU A 66 -2.286 -4.779 -0.990 1.00 0.00 C ATOM 1076 O LEU A 66 -2.544 -5.476 -0.008 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.169 -2.339 -0.506 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.873 -0.982 -0.421 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -2.867 -0.463 1.009 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.212 0.022 -1.355 1.00 0.00 C ATOM 0 H LEU A 66 -4.461 -3.338 0.262 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.992 -3.261 -2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.934 -2.673 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.221 -2.208 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.909 -1.114 -0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.372 0.502 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.387 -1.171 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.838 -0.348 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.726 0.981 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.167 0.148 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.270 -0.342 -2.381 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.383 -5.108 -1.908 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.611 -6.337 -1.830 1.00 0.00 C ATOM 1094 C GLN A 67 0.849 -5.993 -1.561 1.00 0.00 C ATOM 1095 O GLN A 67 1.560 -5.525 -2.449 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.736 -7.135 -3.130 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.144 -7.639 -3.401 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.409 -7.864 -4.877 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -3.455 -7.475 -5.398 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -1.462 -8.497 -5.559 1.00 0.00 N ATOM 0 H GLN A 67 -1.169 -4.532 -2.722 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.997 -6.952 -1.017 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.416 -6.509 -3.963 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.056 -7.986 -3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.302 -8.573 -2.861 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.865 -6.920 -3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.611 -8.802 -5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.586 -8.678 -6.555 1.00 0.00 H new ATOM 1109 N PHE A 68 1.278 -6.203 -0.325 1.00 0.00 N ATOM 1110 CA PHE A 68 2.646 -5.891 0.075 1.00 0.00 C ATOM 1111 C PHE A 68 3.465 -7.121 0.440 1.00 0.00 C ATOM 1112 O PHE A 68 3.098 -7.917 1.303 1.00 0.00 O ATOM 1113 CB PHE A 68 2.663 -4.861 1.211 1.00 0.00 C ATOM 1114 CG PHE A 68 1.350 -4.700 1.924 1.00 0.00 C ATOM 1115 CD1 PHE A 68 0.714 -5.771 2.538 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.745 -3.456 1.958 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.502 -5.593 3.169 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.466 -3.273 2.587 1.00 0.00 C ATOM 1119 CZ PHE A 68 -1.092 -4.342 3.193 1.00 0.00 C ATOM 0 H PHE A 68 0.699 -6.589 0.421 1.00 0.00 H new ATOM 0 HA PHE A 68 3.128 -5.457 -0.801 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.423 -5.151 1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.962 -3.895 0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.173 -6.749 2.522 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.230 -2.616 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.992 -6.430 3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.924 -2.295 2.606 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.043 -4.203 3.686 1.00 0.00 H new ATOM 1129 N PHE A 69 4.598 -7.231 -0.242 1.00 0.00 N ATOM 1130 CA PHE A 69 5.553 -8.314 -0.055 1.00 0.00 C ATOM 1131 C PHE A 69 6.916 -7.867 -0.571 1.00 0.00 C ATOM 1132 O PHE A 69 6.996 -7.006 -1.446 1.00 0.00 O ATOM 1133 CB PHE A 69 5.110 -9.572 -0.804 1.00 0.00 C ATOM 1134 CG PHE A 69 4.252 -10.504 0.005 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.564 -10.794 1.327 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.139 -11.099 -0.564 1.00 0.00 C ATOM 1137 CE1 PHE A 69 3.775 -11.662 2.060 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.348 -11.965 0.166 1.00 0.00 C ATOM 1139 CZ PHE A 69 2.669 -12.247 1.479 1.00 0.00 C ATOM 0 H PHE A 69 4.883 -6.558 -0.953 1.00 0.00 H new ATOM 0 HA PHE A 69 5.610 -8.552 1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.561 -9.274 -1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.996 -10.112 -1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.429 -10.338 1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.886 -10.883 -1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.025 -11.882 3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.481 -12.420 -0.289 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.054 -12.926 2.051 1.00 0.00 H new ATOM 1149 N PRO A 70 8.009 -8.438 -0.051 1.00 0.00 N ATOM 1150 CA PRO A 70 9.355 -8.072 -0.492 1.00 0.00 C ATOM 1151 C PRO A 70 9.538 -8.280 -1.991 1.00 0.00 C ATOM 1152 O PRO A 70 9.593 -9.414 -2.470 1.00 0.00 O ATOM 1153 CB PRO A 70 10.270 -9.010 0.300 1.00 0.00 C ATOM 1154 CG PRO A 70 9.455 -9.457 1.466 1.00 0.00 C ATOM 1155 CD PRO A 70 8.028 -9.477 0.992 1.00 0.00 C ATOM 0 HA PRO A 70 9.569 -7.017 -0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.586 -9.858 -0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.174 -8.496 0.625 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.767 -10.445 1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.576 -8.778 2.310 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.749 -10.453 0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.332 -9.251 1.799 1.00 0.00 H new ATOM 1163 N ALA A 71 9.623 -7.177 -2.728 1.00 0.00 N ATOM 1164 CA ALA A 71 9.793 -7.227 -4.177 1.00 0.00 C ATOM 1165 C ALA A 71 10.998 -8.078 -4.571 1.00 0.00 C ATOM 1166 O ALA A 71 11.074 -8.574 -5.695 1.00 0.00 O ATOM 1167 CB ALA A 71 9.929 -5.821 -4.739 1.00 0.00 C ATOM 0 H ALA A 71 9.577 -6.233 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 71 8.905 -7.695 -4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.055 -5.872 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.032 -5.247 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.797 -5.334 -4.295 1.00 0.00 H new ATOM 1173 N SER A 72 11.938 -8.242 -3.646 1.00 0.00 N ATOM 1174 CA SER A 72 13.137 -9.034 -3.906 1.00 0.00 C ATOM 1175 C SER A 72 12.901 -10.518 -3.625 1.00 0.00 C ATOM 1176 O SER A 72 13.839 -11.315 -3.648 1.00 0.00 O ATOM 1177 CB SER A 72 14.301 -8.523 -3.057 1.00 0.00 C ATOM 1178 OG SER A 72 15.547 -8.860 -3.643 1.00 0.00 O ATOM 0 H SER A 72 11.894 -7.838 -2.710 1.00 0.00 H new ATOM 0 HA SER A 72 13.383 -8.926 -4.962 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.228 -7.441 -2.948 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.239 -8.949 -2.056 1.00 0.00 H new ATOM 0 HG SER A 72 15.536 -9.801 -3.916 1.00 0.00 H new ATOM 1319 N PRO A 81 6.180 -13.147 5.539 1.00 0.00 N ATOM 1320 CA PRO A 81 6.706 -11.938 4.900 1.00 0.00 C ATOM 1321 C PRO A 81 7.867 -11.323 5.669 1.00 0.00 C ATOM 1322 O PRO A 81 8.203 -11.761 6.769 1.00 0.00 O ATOM 1323 CB PRO A 81 5.510 -10.971 4.894 1.00 0.00 C ATOM 1324 CG PRO A 81 4.413 -11.664 5.639 1.00 0.00 C ATOM 1325 CD PRO A 81 4.716 -13.132 5.571 1.00 0.00 C ATOM 0 HA PRO A 81 7.102 -12.158 3.908 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.770 -10.027 5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.202 -10.738 3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.371 -11.324 6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.443 -11.447 5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.323 -13.669 6.434 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.285 -13.596 4.684 1.00 0.00 H new ATOM 1333 N SER A 82 8.469 -10.292 5.085 1.00 0.00 N ATOM 1334 CA SER A 82 9.587 -9.605 5.718 1.00 0.00 C ATOM 1335 C SER A 82 9.193 -8.183 6.098 1.00 0.00 C ATOM 1336 O SER A 82 8.190 -7.661 5.614 1.00 0.00 O ATOM 1337 CB SER A 82 10.797 -9.582 4.783 1.00 0.00 C ATOM 1338 OG SER A 82 12.005 -9.730 5.508 1.00 0.00 O ATOM 0 H SER A 82 8.201 -9.915 4.176 1.00 0.00 H new ATOM 0 HA SER A 82 9.854 -10.148 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.709 -10.384 4.050 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.814 -8.643 4.229 1.00 0.00 H new ATOM 0 HG SER A 82 12.763 -9.714 4.887 1.00 0.00 H new ATOM 1344 N ARG A 83 9.993 -7.557 6.956 1.00 0.00 N ATOM 1345 CA ARG A 83 9.724 -6.186 7.385 1.00 0.00 C ATOM 1346 C ARG A 83 10.058 -5.190 6.273 1.00 0.00 C ATOM 1347 O ARG A 83 9.899 -3.981 6.445 1.00 0.00 O ATOM 1348 CB ARG A 83 10.512 -5.838 8.655 1.00 0.00 C ATOM 1349 CG ARG A 83 10.706 -7.004 9.616 1.00 0.00 C ATOM 1350 CD ARG A 83 9.417 -7.347 10.342 1.00 0.00 C ATOM 1351 NE ARG A 83 9.510 -8.622 11.051 1.00 0.00 N ATOM 1352 CZ ARG A 83 9.341 -9.808 10.471 1.00 0.00 C ATOM 1353 NH1 ARG A 83 9.076 -9.889 9.172 1.00 0.00 N ATOM 1354 NH2 ARG A 83 9.441 -10.917 11.190 1.00 0.00 N ATOM 0 H ARG A 83 10.829 -7.973 7.367 1.00 0.00 H new ATOM 0 HA ARG A 83 8.660 -6.116 7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.491 -5.454 8.367 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.996 -5.034 9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.058 -7.876 9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.479 -6.753 10.343 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.179 -6.554 11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.597 -7.390 9.625 1.00 0.00 H new ATOM 0 HE ARG A 83 9.717 -8.602 12.050 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.001 -9.039 8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.948 -10.801 8.734 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.647 -10.861 12.187 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.312 -11.826 10.746 1.00 0.00 H new ATOM 1368 N GLU A 84 10.505 -5.705 5.126 1.00 0.00 N ATOM 1369 CA GLU A 84 10.841 -4.862 3.987 1.00 0.00 C ATOM 1370 C GLU A 84 9.603 -4.131 3.503 1.00 0.00 C ATOM 1371 O GLU A 84 9.618 -2.915 3.311 1.00 0.00 O ATOM 1372 CB GLU A 84 11.441 -5.711 2.862 1.00 0.00 C ATOM 1373 CG GLU A 84 12.907 -5.414 2.594 1.00 0.00 C ATOM 1374 CD GLU A 84 13.526 -6.381 1.604 1.00 0.00 C ATOM 1375 OE1 GLU A 84 13.437 -7.605 1.835 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.098 -5.913 0.597 1.00 0.00 O ATOM 0 H GLU A 84 10.641 -6.703 4.965 1.00 0.00 H new ATOM 0 HA GLU A 84 11.583 -4.125 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.333 -6.765 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.872 -5.543 1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.004 -4.398 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.460 -5.457 3.532 1.00 0.00 H new ATOM 1383 N TYR A 85 8.527 -4.883 3.315 1.00 0.00 N ATOM 1384 CA TYR A 85 7.271 -4.311 2.863 1.00 0.00 C ATOM 1385 C TYR A 85 6.225 -4.402 3.964 1.00 0.00 C ATOM 1386 O TYR A 85 5.375 -3.529 4.098 1.00 0.00 O ATOM 1387 CB TYR A 85 6.793 -5.009 1.594 1.00 0.00 C ATOM 1388 CG TYR A 85 7.527 -4.546 0.358 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.909 -4.391 0.366 1.00 0.00 C ATOM 1390 CD2 TYR A 85 6.842 -4.260 -0.815 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.585 -3.965 -0.762 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.510 -3.833 -1.945 1.00 0.00 C ATOM 1393 CZ TYR A 85 8.881 -3.688 -1.915 1.00 0.00 C ATOM 1394 OH TYR A 85 9.551 -3.264 -3.040 1.00 0.00 O ATOM 0 H TYR A 85 8.501 -5.891 3.469 1.00 0.00 H new ATOM 0 HA TYR A 85 7.428 -3.258 2.629 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.923 -6.085 1.706 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.726 -4.829 1.466 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.463 -4.607 1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.768 -4.373 -0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.659 -3.850 -0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.961 -3.613 -2.849 1.00 0.00 H new ATOM 0 HH TYR A 85 8.910 -3.113 -3.765 1.00 0.00 H new ATOM 1404 N VAL A 86 6.308 -5.449 4.774 1.00 0.00 N ATOM 1405 CA VAL A 86 5.381 -5.617 5.881 1.00 0.00 C ATOM 1406 C VAL A 86 6.139 -5.891 7.169 1.00 0.00 C ATOM 1407 O VAL A 86 6.709 -6.965 7.358 1.00 0.00 O ATOM 1408 CB VAL A 86 4.361 -6.742 5.643 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.061 -6.177 5.092 1.00 0.00 C ATOM 1410 CG2 VAL A 86 4.920 -7.808 4.712 1.00 0.00 C ATOM 0 H VAL A 86 7.004 -6.190 4.685 1.00 0.00 H new ATOM 0 HA VAL A 86 4.826 -4.682 5.962 1.00 0.00 H new ATOM 0 HB VAL A 86 4.155 -7.214 6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.351 -6.988 4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.643 -5.466 5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.256 -5.671 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.174 -8.589 4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.169 -7.358 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.817 -8.242 5.153 1.00 0.00 H new ATOM 1420 N ASP A 87 6.143 -4.900 8.042 1.00 0.00 N ATOM 1421 CA ASP A 87 6.838 -4.993 9.315 1.00 0.00 C ATOM 1422 C ASP A 87 5.879 -5.330 10.447 1.00 0.00 C ATOM 1423 O ASP A 87 4.710 -4.945 10.429 1.00 0.00 O ATOM 1424 CB ASP A 87 7.564 -3.679 9.617 1.00 0.00 C ATOM 1425 CG ASP A 87 8.312 -3.715 10.937 1.00 0.00 C ATOM 1426 OD1 ASP A 87 7.649 -3.745 11.994 1.00 0.00 O ATOM 1427 OD2 ASP A 87 9.561 -3.712 10.912 1.00 0.00 O ATOM 0 H ASP A 87 5.667 -4.011 7.890 1.00 0.00 H new ATOM 0 HA ASP A 87 7.568 -5.799 9.240 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.266 -3.463 8.812 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.840 -2.864 9.636 1.00 0.00 H new ATOM 1515 N GLY A 93 4.587 2.175 17.957 1.00 0.00 N ATOM 1516 CA GLY A 93 3.355 1.723 18.581 1.00 0.00 C ATOM 1517 C GLY A 93 2.348 1.205 17.567 1.00 0.00 C ATOM 1518 O GLY A 93 1.268 0.742 17.936 1.00 0.00 O ATOM 0 HA2 GLY A 93 3.582 0.935 19.299 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.912 2.546 19.142 1.00 0.00 H new ATOM 1522 N LYS A 94 2.703 1.287 16.288 1.00 0.00 N ATOM 1523 CA LYS A 94 1.835 0.831 15.209 1.00 0.00 C ATOM 1524 C LYS A 94 2.655 0.056 14.181 1.00 0.00 C ATOM 1525 O LYS A 94 3.872 -0.068 14.317 1.00 0.00 O ATOM 1526 CB LYS A 94 1.136 2.019 14.534 1.00 0.00 C ATOM 1527 CG LYS A 94 1.115 3.284 15.382 1.00 0.00 C ATOM 1528 CD LYS A 94 2.335 4.152 15.119 1.00 0.00 C ATOM 1529 CE LYS A 94 2.553 5.159 16.237 1.00 0.00 C ATOM 1530 NZ LYS A 94 3.925 5.739 16.207 1.00 0.00 N ATOM 0 H LYS A 94 3.595 1.669 15.973 1.00 0.00 H new ATOM 0 HA LYS A 94 1.071 0.178 15.630 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.637 2.234 13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.111 1.737 14.294 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.210 3.852 15.167 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.079 3.015 16.438 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.218 3.520 15.019 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.211 4.678 14.173 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.819 5.960 16.151 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.385 4.675 17.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.031 6.420 16.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.626 4.978 16.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.077 6.224 15.300 1.00 0.00 H new ATOM 1544 N VAL A 95 1.992 -0.465 13.156 1.00 0.00 N ATOM 1545 CA VAL A 95 2.679 -1.227 12.117 1.00 0.00 C ATOM 1546 C VAL A 95 2.526 -0.555 10.754 1.00 0.00 C ATOM 1547 O VAL A 95 1.426 -0.178 10.358 1.00 0.00 O ATOM 1548 CB VAL A 95 2.149 -2.678 12.036 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.644 -2.714 12.256 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.515 -3.320 10.702 1.00 0.00 C ATOM 0 H VAL A 95 0.985 -0.375 13.021 1.00 0.00 H new ATOM 0 HA VAL A 95 3.735 -1.255 12.387 1.00 0.00 H new ATOM 0 HB VAL A 95 2.625 -3.255 12.829 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.292 -3.744 12.195 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.410 -2.308 13.240 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.150 -2.116 11.490 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.131 -4.339 10.671 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.077 -2.742 9.888 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.599 -3.338 10.592 1.00 0.00 H new ATOM 1560 N TYR A 96 3.643 -0.428 10.039 1.00 0.00 N ATOM 1561 CA TYR A 96 3.643 0.184 8.711 1.00 0.00 C ATOM 1562 C TYR A 96 4.167 -0.761 7.639 1.00 0.00 C ATOM 1563 O TYR A 96 5.052 -1.582 7.886 1.00 0.00 O ATOM 1564 CB TYR A 96 4.429 1.503 8.684 1.00 0.00 C ATOM 1565 CG TYR A 96 5.374 1.725 9.848 1.00 0.00 C ATOM 1566 CD1 TYR A 96 6.258 0.743 10.284 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.374 2.945 10.510 1.00 0.00 C ATOM 1568 CE1 TYR A 96 7.111 0.976 11.348 1.00 0.00 C ATOM 1569 CE2 TYR A 96 6.220 3.185 11.571 1.00 0.00 C ATOM 1570 CZ TYR A 96 7.088 2.198 11.988 1.00 0.00 C ATOM 1571 OH TYR A 96 7.935 2.434 13.046 1.00 0.00 O ATOM 0 H TYR A 96 4.560 -0.741 10.357 1.00 0.00 H new ATOM 0 HA TYR A 96 2.600 0.404 8.484 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.004 1.544 7.759 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.718 2.329 8.654 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.279 -0.215 9.785 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.697 3.722 10.187 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.792 0.205 11.676 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.203 4.141 12.073 1.00 0.00 H new ATOM 0 HH TYR A 96 7.792 3.343 13.383 1.00 0.00 H new ATOM 1581 N LEU A 97 3.600 -0.631 6.443 1.00 0.00 N ATOM 1582 CA LEU A 97 3.982 -1.460 5.309 1.00 0.00 C ATOM 1583 C LEU A 97 4.021 -0.653 4.016 1.00 0.00 C ATOM 1584 O LEU A 97 3.516 0.473 3.946 1.00 0.00 O ATOM 1585 CB LEU A 97 3.032 -2.650 5.146 1.00 0.00 C ATOM 1586 CG LEU A 97 1.648 -2.487 5.771 1.00 0.00 C ATOM 1587 CD1 LEU A 97 1.019 -1.163 5.366 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.761 -3.645 5.359 1.00 0.00 C ATOM 0 H LEU A 97 2.868 0.048 6.235 1.00 0.00 H new ATOM 0 HA LEU A 97 4.984 -1.836 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.908 -2.848 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.505 -3.530 5.581 1.00 0.00 H new ATOM 0 HG LEU A 97 1.754 -2.487 6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.034 -1.073 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.652 -0.342 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.919 -1.124 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.225 -3.525 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.667 -3.663 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.203 -4.581 5.700 1.00 0.00 H new ATOM 1600 N LYS A 98 4.625 -1.258 2.998 1.00 0.00 N ATOM 1601 CA LYS A 98 4.757 -0.652 1.679 1.00 0.00 C ATOM 1602 C LYS A 98 4.271 -1.625 0.611 1.00 0.00 C ATOM 1603 O LYS A 98 4.747 -2.758 0.538 1.00 0.00 O ATOM 1604 CB LYS A 98 6.218 -0.287 1.411 1.00 0.00 C ATOM 1605 CG LYS A 98 6.455 0.316 0.035 1.00 0.00 C ATOM 1606 CD LYS A 98 7.926 0.630 -0.189 1.00 0.00 C ATOM 1607 CE LYS A 98 8.743 -0.636 -0.391 1.00 0.00 C ATOM 1608 NZ LYS A 98 10.190 -0.410 -0.123 1.00 0.00 N ATOM 0 H LYS A 98 5.039 -2.188 3.066 1.00 0.00 H new ATOM 0 HA LYS A 98 4.151 0.253 1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.552 0.420 2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.832 -1.181 1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.109 -0.377 -0.732 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.867 1.228 -0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.032 1.276 -1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.315 1.183 0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.369 -1.419 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.614 -0.992 -1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.713 -1.296 -0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.553 0.319 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.316 -0.094 0.860 1.00 0.00 H new ATOM 1622 N ALA A 99 3.323 -1.191 -0.211 1.00 0.00 N ATOM 1623 CA ALA A 99 2.785 -2.049 -1.260 1.00 0.00 C ATOM 1624 C ALA A 99 2.934 -1.419 -2.644 1.00 0.00 C ATOM 1625 O ALA A 99 2.598 -0.252 -2.842 1.00 0.00 O ATOM 1626 CB ALA A 99 1.321 -2.359 -0.981 1.00 0.00 C ATOM 0 H ALA A 99 2.913 -0.258 -0.173 1.00 0.00 H new ATOM 0 HA ALA A 99 3.360 -2.975 -1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.928 -3.000 -1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.233 -2.869 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.752 -1.430 -0.951 1.00 0.00 H new ATOM 1632 N PRO A 100 3.427 -2.195 -3.630 1.00 0.00 N ATOM 1633 CA PRO A 100 3.602 -1.725 -4.994 1.00 0.00 C ATOM 1634 C PRO A 100 2.365 -2.013 -5.841 1.00 0.00 C ATOM 1635 O PRO A 100 1.987 -3.171 -6.024 1.00 0.00 O ATOM 1636 CB PRO A 100 4.799 -2.547 -5.475 1.00 0.00 C ATOM 1637 CG PRO A 100 4.756 -3.824 -4.685 1.00 0.00 C ATOM 1638 CD PRO A 100 3.844 -3.599 -3.498 1.00 0.00 C ATOM 0 HA PRO A 100 3.754 -0.648 -5.065 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.734 -2.746 -6.545 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.734 -2.013 -5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.386 -4.643 -5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.756 -4.102 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.988 -4.273 -3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.364 -3.774 -2.556 1.00 0.00 H new ATOM 1646 N MET A 101 1.721 -0.959 -6.338 1.00 0.00 N ATOM 1647 CA MET A 101 0.513 -1.118 -7.140 1.00 0.00 C ATOM 1648 C MET A 101 0.589 -0.334 -8.442 1.00 0.00 C ATOM 1649 O MET A 101 1.506 0.458 -8.658 1.00 0.00 O ATOM 1650 CB MET A 101 -0.712 -0.658 -6.348 1.00 0.00 C ATOM 1651 CG MET A 101 -1.243 -1.703 -5.383 1.00 0.00 C ATOM 1652 SD MET A 101 -3.030 -1.922 -5.500 1.00 0.00 S ATOM 1653 CE MET A 101 -3.613 -0.428 -4.700 1.00 0.00 C ATOM 0 H MET A 101 2.014 0.008 -6.200 1.00 0.00 H new ATOM 0 HA MET A 101 0.425 -2.177 -7.383 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.455 0.242 -5.790 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.504 -0.385 -7.046 1.00 0.00 H new ATOM 0 HG2 MET A 101 -0.751 -2.656 -5.580 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.983 -1.415 -4.364 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.047 -0.679 -3.732 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.778 0.257 -4.556 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.369 0.048 -5.325 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.402 -0.557 -9.300 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.479 0.129 -10.581 1.00 0.00 C ATOM 1665 C ILE A 102 -1.636 1.125 -10.579 1.00 0.00 C ATOM 1666 O ILE A 102 -2.802 0.740 -10.665 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.662 -0.869 -11.747 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.583 -1.751 -11.893 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -0.958 -0.135 -13.050 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.753 -1.052 -12.555 1.00 0.00 C ATOM 0 H ILE A 102 -1.165 -1.211 -9.128 1.00 0.00 H new ATOM 0 HA ILE A 102 0.462 0.660 -10.726 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.515 -1.508 -11.520 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.890 -2.097 -10.906 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.324 -2.636 -12.475 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.083 -0.859 -13.855 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.873 0.447 -12.940 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.130 0.533 -13.288 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.596 -1.739 -12.623 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.466 -0.730 -13.556 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.040 -0.183 -11.963 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.302 2.406 -10.486 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.305 3.465 -10.481 1.00 0.00 C ATOM 1684 C LEU A 103 -2.364 4.132 -11.843 1.00 0.00 C ATOM 1685 O LEU A 103 -1.371 4.166 -12.550 1.00 0.00 O ATOM 1686 CB LEU A 103 -1.998 4.499 -9.397 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.630 4.213 -8.033 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.226 5.278 -7.024 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.147 4.135 -8.154 1.00 0.00 C ATOM 0 H LEU A 103 -0.340 2.738 -10.413 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.276 3.020 -10.262 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.917 4.564 -9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.338 5.476 -9.741 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.264 3.249 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.685 5.058 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.141 5.285 -6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.562 6.255 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.580 3.931 -7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.531 5.083 -8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.416 3.335 -8.844 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.537 4.645 -12.204 1.00 0.00 N ATOM 1702 CA ASN A 104 -3.761 5.306 -13.500 1.00 0.00 C ATOM 1703 C ASN A 104 -2.527 5.296 -14.414 1.00 0.00 C ATOM 1704 O ASN A 104 -1.753 6.253 -14.447 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.199 6.751 -13.259 1.00 0.00 C ATOM 1706 CG ASN A 104 -5.342 7.170 -14.162 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -5.195 7.231 -15.383 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -6.491 7.462 -13.565 1.00 0.00 N ATOM 0 H ASN A 104 -4.365 4.617 -11.609 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.537 4.738 -14.014 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.501 6.867 -12.218 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.351 7.416 -13.420 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.296 7.750 -14.121 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.569 7.398 -12.550 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.374 4.206 -15.171 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.262 4.062 -16.107 1.00 0.00 C ATOM 1717 C GLY A 105 0.070 4.566 -15.575 1.00 0.00 C ATOM 1718 O GLY A 105 0.762 5.324 -16.254 1.00 0.00 O ATOM 0 H GLY A 105 -3.010 3.409 -15.152 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.160 3.010 -16.373 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.501 4.601 -17.024 1.00 0.00 H new ATOM 1722 N VAL A 106 0.426 4.142 -14.368 1.00 0.00 N ATOM 1723 CA VAL A 106 1.675 4.548 -13.737 1.00 0.00 C ATOM 1724 C VAL A 106 2.027 3.604 -12.592 1.00 0.00 C ATOM 1725 O VAL A 106 1.146 2.998 -11.982 1.00 0.00 O ATOM 1726 CB VAL A 106 1.580 5.986 -13.180 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.814 6.336 -12.361 1.00 0.00 C ATOM 1728 CG2 VAL A 106 1.382 6.991 -14.304 1.00 0.00 C ATOM 0 H VAL A 106 -0.140 3.510 -13.802 1.00 0.00 H new ATOM 0 HA VAL A 106 2.451 4.511 -14.502 1.00 0.00 H new ATOM 0 HB VAL A 106 0.712 6.033 -12.523 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.722 7.353 -11.981 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.904 5.643 -11.525 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.701 6.263 -12.990 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.318 7.996 -13.887 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.225 6.937 -14.993 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.461 6.761 -14.839 1.00 0.00 H new ATOM 1738 N CYS A 107 3.316 3.501 -12.288 1.00 0.00 N ATOM 1739 CA CYS A 107 3.772 2.651 -11.196 1.00 0.00 C ATOM 1740 C CYS A 107 3.731 3.437 -9.891 1.00 0.00 C ATOM 1741 O CYS A 107 4.336 4.504 -9.785 1.00 0.00 O ATOM 1742 CB CYS A 107 5.189 2.138 -11.470 1.00 0.00 C ATOM 1743 SG CYS A 107 5.873 1.113 -10.148 1.00 0.00 S ATOM 0 H CYS A 107 4.061 3.994 -12.781 1.00 0.00 H new ATOM 0 HA CYS A 107 3.111 1.788 -11.115 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.182 1.562 -12.395 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.848 2.991 -11.631 1.00 0.00 H new ATOM 0 HG CYS A 107 7.071 0.727 -10.474 1.00 0.00 H new ATOM 1749 N VAL A 108 2.994 2.930 -8.906 1.00 0.00 N ATOM 1750 CA VAL A 108 2.865 3.625 -7.633 1.00 0.00 C ATOM 1751 C VAL A 108 3.130 2.716 -6.440 1.00 0.00 C ATOM 1752 O VAL A 108 3.270 1.500 -6.580 1.00 0.00 O ATOM 1753 CB VAL A 108 1.467 4.251 -7.488 1.00 0.00 C ATOM 1754 CG1 VAL A 108 1.237 5.285 -8.580 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.391 3.173 -7.524 1.00 0.00 C ATOM 0 H VAL A 108 2.483 2.049 -8.965 1.00 0.00 H new ATOM 0 HA VAL A 108 3.623 4.408 -7.637 1.00 0.00 H new ATOM 0 HB VAL A 108 1.408 4.753 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.244 5.720 -8.466 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.989 6.070 -8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.313 4.806 -9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.591 3.635 -7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.442 2.639 -8.473 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.551 2.472 -6.705 1.00 0.00 H new ATOM 1765 N ILE A 109 3.204 3.333 -5.266 1.00 0.00 N ATOM 1766 CA ILE A 109 3.461 2.618 -4.024 1.00 0.00 C ATOM 1767 C ILE A 109 2.629 3.203 -2.883 1.00 0.00 C ATOM 1768 O ILE A 109 2.407 4.411 -2.828 1.00 0.00 O ATOM 1769 CB ILE A 109 4.949 2.701 -3.633 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.846 2.546 -4.868 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.278 1.644 -2.588 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.320 2.425 -4.540 1.00 0.00 C ATOM 0 H ILE A 109 3.088 4.340 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 109 3.186 1.576 -4.189 1.00 0.00 H new ATOM 0 HB ILE A 109 5.140 3.684 -3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.533 1.662 -5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.698 3.404 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.332 1.713 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.667 1.807 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.071 0.654 -2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.891 2.319 -5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.650 3.319 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.482 1.550 -3.910 1.00 0.00 H new ATOM 1784 N TRP A 110 2.182 2.347 -1.969 1.00 0.00 N ATOM 1785 CA TRP A 110 1.390 2.800 -0.829 1.00 0.00 C ATOM 1786 C TRP A 110 2.093 2.466 0.482 1.00 0.00 C ATOM 1787 O TRP A 110 2.393 1.305 0.759 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.006 2.170 -0.846 1.00 0.00 C ATOM 1789 CG TRP A 110 -0.922 2.739 0.198 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -1.907 3.669 0.010 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -0.937 2.420 1.595 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.528 3.949 1.205 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -1.952 3.194 2.190 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.193 1.555 2.403 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.238 3.130 3.550 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -0.480 1.494 3.753 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -1.495 2.277 4.314 1.00 0.00 C ATOM 0 H TRP A 110 2.353 1.342 -1.994 1.00 0.00 H new ATOM 0 HA TRP A 110 1.284 3.882 -0.907 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.452 2.316 -1.830 1.00 0.00 H new ATOM 0 HB3 TRP A 110 0.085 1.095 -0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.160 4.118 -0.939 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.293 4.611 1.335 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.592 0.946 1.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.020 3.734 3.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 0.089 0.830 4.387 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.695 2.205 5.373 1.00 0.00 H new ATOM 1808 N LYS A 111 2.352 3.491 1.286 1.00 0.00 N ATOM 1809 CA LYS A 111 3.019 3.309 2.570 1.00 0.00 C ATOM 1810 C LYS A 111 2.190 3.913 3.696 1.00 0.00 C ATOM 1811 O LYS A 111 1.673 5.023 3.565 1.00 0.00 O ATOM 1812 CB LYS A 111 4.405 3.955 2.547 1.00 0.00 C ATOM 1813 CG LYS A 111 5.513 3.001 2.137 1.00 0.00 C ATOM 1814 CD LYS A 111 6.244 3.494 0.900 1.00 0.00 C ATOM 1815 CE LYS A 111 6.941 4.821 1.157 1.00 0.00 C ATOM 1816 NZ LYS A 111 8.176 4.967 0.337 1.00 0.00 N ATOM 0 H LYS A 111 2.110 4.458 1.071 1.00 0.00 H new ATOM 0 HA LYS A 111 3.127 2.239 2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.391 4.800 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.628 4.353 3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 111 6.221 2.889 2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.092 2.015 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 111 6.978 2.750 0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 111 5.536 3.606 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 111 6.257 5.640 0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 111 7.196 4.899 2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 8.622 5.884 0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 8.839 4.200 0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 7.930 4.918 -0.672 1.00 0.00 H new ATOM 1830 N GLY A 112 2.063 3.188 4.803 1.00 0.00 N ATOM 1831 CA GLY A 112 1.288 3.701 5.920 1.00 0.00 C ATOM 1832 C GLY A 112 1.230 2.746 7.093 1.00 0.00 C ATOM 1833 O GLY A 112 1.515 1.558 6.950 1.00 0.00 O ATOM 0 H GLY A 112 2.476 2.267 4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.720 4.646 6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.274 3.914 5.583 1.00 0.00 H new ATOM 1837 N TRP A 113 0.855 3.268 8.260 1.00 0.00 N ATOM 1838 CA TRP A 113 0.758 2.448 9.461 1.00 0.00 C ATOM 1839 C TRP A 113 -0.610 2.575 10.119 1.00 0.00 C ATOM 1840 O TRP A 113 -1.290 3.597 9.988 1.00 0.00 O ATOM 1841 CB TRP A 113 1.846 2.824 10.474 1.00 0.00 C ATOM 1842 CG TRP A 113 1.749 4.235 10.967 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.567 5.275 10.632 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.790 4.759 11.895 1.00 0.00 C ATOM 1845 NE1 TRP A 113 2.164 6.418 11.280 1.00 0.00 N ATOM 1846 CE2 TRP A 113 1.078 6.126 12.063 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.287 4.207 12.595 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.329 6.948 12.903 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.028 5.024 13.427 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.719 6.380 13.575 1.00 0.00 C ATOM 0 H TRP A 113 0.615 4.250 8.397 1.00 0.00 H new ATOM 0 HA TRP A 113 0.900 1.413 9.149 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.787 2.146 11.326 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.824 2.675 10.016 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.407 5.209 9.957 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.602 7.335 11.192 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.535 3.161 12.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.567 7.995 13.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.861 4.608 13.973 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.319 6.991 14.233 1.00 0.00 H new ATOM 1861 N ILE A 114 -0.982 1.533 10.854 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.242 1.497 11.578 1.00 0.00 C ATOM 1863 C ILE A 114 -1.977 1.088 13.018 1.00 0.00 C ATOM 1864 O ILE A 114 -0.999 0.393 13.293 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.261 0.508 10.957 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.558 -0.657 10.241 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.192 1.240 10.003 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -1.939 -0.275 8.913 1.00 0.00 C ATOM 0 H ILE A 114 -0.417 0.691 10.963 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.676 2.495 11.523 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.851 0.083 11.769 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.780 -1.055 10.893 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.278 -1.459 10.078 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.902 0.533 9.574 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.734 2.015 10.546 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -3.608 1.697 9.204 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.462 -1.149 8.469 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.715 0.095 8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.193 0.505 9.070 1.00 0.00 H new ATOM 1880 N ASP A 115 -2.836 1.508 13.938 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.644 1.159 15.337 1.00 0.00 C ATOM 1882 C ASP A 115 -3.252 -0.210 15.617 1.00 0.00 C ATOM 1883 O ASP A 115 -4.308 -0.557 15.090 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.242 2.230 16.253 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.753 2.238 16.229 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.350 1.199 16.568 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.338 3.282 15.872 1.00 0.00 O ATOM 0 H ASP A 115 -3.658 2.080 13.745 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.575 1.111 15.545 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.899 2.062 17.274 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -2.872 3.210 15.950 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.543 -1.000 16.411 1.00 0.00 N ATOM 1893 CA LEU A 116 -2.958 -2.362 16.730 1.00 0.00 C ATOM 1894 C LEU A 116 -4.164 -2.446 17.671 1.00 0.00 C ATOM 1895 O LEU A 116 -4.457 -3.521 18.195 1.00 0.00 O ATOM 1896 CB LEU A 116 -1.775 -3.114 17.334 1.00 0.00 C ATOM 1897 CG LEU A 116 -0.456 -2.942 16.570 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.697 -2.675 17.530 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.170 -4.167 15.712 1.00 0.00 C ATOM 0 H LEU A 116 -1.667 -0.718 16.851 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.280 -2.818 15.794 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.632 -2.777 18.361 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.019 -4.175 17.378 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.555 -2.078 15.912 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.621 -2.557 16.965 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.497 -1.764 18.094 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.798 -3.513 18.219 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.770 -4.026 15.178 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.096 -5.048 16.349 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.978 -4.305 14.994 1.00 0.00 H new ATOM 1911 N HIS A 117 -4.876 -1.341 17.879 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.048 -1.371 18.753 1.00 0.00 C ATOM 1913 C HIS A 117 -7.307 -0.987 17.980 1.00 0.00 C ATOM 1914 O HIS A 117 -8.200 -1.808 17.774 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.855 -0.421 19.938 1.00 0.00 C ATOM 1916 CG HIS A 117 -4.480 -0.474 20.530 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -4.193 -1.129 21.710 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -3.308 0.051 20.099 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -2.905 -1.004 21.978 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -2.346 -0.293 21.016 1.00 0.00 N ATOM 0 H HIS A 117 -4.669 -0.432 17.465 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.165 -2.387 19.129 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -6.063 0.599 19.613 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.584 -0.664 20.711 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -3.158 0.632 19.201 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.396 -1.414 22.838 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.359 -0.040 20.963 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.354 0.262 17.542 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.485 0.772 16.769 1.00 0.00 C ATOM 1931 C ARG A 118 -8.271 0.559 15.269 1.00 0.00 C ATOM 1932 O ARG A 118 -9.212 0.654 14.480 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.735 2.266 17.053 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.671 2.942 17.912 1.00 0.00 C ATOM 1935 CD ARG A 118 -7.855 2.618 19.386 1.00 0.00 C ATOM 1936 NE ARG A 118 -8.445 3.734 20.121 1.00 0.00 N ATOM 1937 CZ ARG A 118 -8.358 3.884 21.440 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -7.713 2.988 22.177 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -8.920 4.932 22.027 1.00 0.00 N ATOM 0 H ARG A 118 -6.618 0.948 17.708 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.364 0.209 17.082 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.804 2.795 16.103 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.701 2.371 17.547 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -6.682 2.619 17.588 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.717 4.021 17.767 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.492 1.739 19.487 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.890 2.364 19.825 1.00 0.00 H new ATOM 0 HE ARG A 118 -8.954 4.441 19.591 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -7.280 2.178 21.732 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -7.650 3.109 23.188 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -9.419 5.623 21.467 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -8.853 5.047 23.038 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.025 0.294 14.880 1.00 0.00 N ATOM 1954 CA LEU A 119 -6.677 0.092 13.476 1.00 0.00 C ATOM 1955 C LEU A 119 -6.856 1.380 12.689 1.00 0.00 C ATOM 1956 O LEU A 119 -7.440 1.407 11.601 1.00 0.00 O ATOM 1957 CB LEU A 119 -7.503 -1.019 12.856 1.00 0.00 C ATOM 1958 CG LEU A 119 -6.857 -2.409 12.868 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -7.553 -3.316 11.874 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -5.369 -2.330 12.552 1.00 0.00 C ATOM 0 H LEU A 119 -6.236 0.214 15.522 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.628 -0.203 13.435 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.456 -1.076 13.382 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.725 -0.750 11.823 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.967 -2.823 13.870 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.086 -4.301 11.891 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.606 -3.409 12.141 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.469 -2.892 10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -4.940 -3.332 12.568 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -5.230 -1.892 11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.871 -1.710 13.298 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.328 2.436 13.265 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.369 3.763 12.675 1.00 0.00 C ATOM 1974 C ASP A 120 -4.972 4.365 12.707 1.00 0.00 C ATOM 1975 O ASP A 120 -4.242 4.194 13.686 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.349 4.656 13.440 1.00 0.00 C ATOM 1977 CG ASP A 120 -8.268 5.430 12.516 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -7.781 6.357 11.834 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.474 5.112 12.475 1.00 0.00 O ATOM 0 H ASP A 120 -5.852 2.402 14.166 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.710 3.690 11.642 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.948 4.041 14.112 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -6.790 5.356 14.061 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.588 5.054 11.640 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.266 5.644 11.598 1.00 0.00 C ATOM 1986 C GLY A 121 -3.111 6.686 10.514 1.00 0.00 C ATOM 1987 O GLY A 121 -3.947 7.579 10.377 1.00 0.00 O ATOM 0 H GLY A 121 -5.162 5.213 10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.048 6.099 12.564 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.529 4.856 11.443 1.00 0.00 H new ATOM 1991 N MET A 122 -2.032 6.577 9.749 1.00 0.00 N ATOM 1992 CA MET A 122 -1.762 7.527 8.677 1.00 0.00 C ATOM 1993 C MET A 122 -1.137 6.836 7.472 1.00 0.00 C ATOM 1994 O MET A 122 -0.113 6.161 7.589 1.00 0.00 O ATOM 1995 CB MET A 122 -0.836 8.640 9.171 1.00 0.00 C ATOM 1996 CG MET A 122 -1.200 9.175 10.546 1.00 0.00 C ATOM 1997 SD MET A 122 -0.899 10.946 10.705 1.00 0.00 S ATOM 1998 CE MET A 122 -2.560 11.586 10.523 1.00 0.00 C ATOM 0 H MET A 122 -1.331 5.843 9.850 1.00 0.00 H new ATOM 0 HA MET A 122 -2.714 7.960 8.371 1.00 0.00 H new ATOM 0 HB2 MET A 122 0.187 8.264 9.197 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.856 9.461 8.455 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.252 8.970 10.744 1.00 0.00 H new ATOM 0 HG3 MET A 122 -0.623 8.643 11.303 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.578 12.638 10.807 1.00 0.00 H new ATOM 0 HE2 MET A 122 -2.877 11.485 9.485 1.00 0.00 H new ATOM 0 HE3 MET A 122 -3.238 11.025 11.166 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.755 7.018 6.313 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.246 6.418 5.096 1.00 0.00 C ATOM 2010 C GLY A 123 -0.662 7.453 4.159 1.00 0.00 C ATOM 2011 O GLY A 123 -0.687 8.648 4.455 1.00 0.00 O ATOM 0 H GLY A 123 -2.603 7.573 6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.482 5.682 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -2.050 5.883 4.591 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.137 7.001 3.030 1.00 0.00 N ATOM 2016 CA CYS A 124 0.452 7.909 2.056 1.00 0.00 C ATOM 2017 C CYS A 124 0.846 7.172 0.784 1.00 0.00 C ATOM 2018 O CYS A 124 1.344 6.047 0.836 1.00 0.00 O ATOM 2019 CB CYS A 124 1.674 8.608 2.657 1.00 0.00 C ATOM 2020 SG CYS A 124 3.079 7.513 2.969 1.00 0.00 S ATOM 0 H CYS A 124 -0.106 6.016 2.766 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.297 8.657 1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.991 9.404 1.983 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.382 9.082 3.594 1.00 0.00 H new ATOM 0 HG CYS A 124 2.652 6.389 3.464 1.00 0.00 H new ATOM 2026 N LEU A 125 0.627 7.814 -0.357 1.00 0.00 N ATOM 2027 CA LEU A 125 0.970 7.215 -1.640 1.00 0.00 C ATOM 2028 C LEU A 125 2.293 7.767 -2.155 1.00 0.00 C ATOM 2029 O LEU A 125 2.746 8.827 -1.727 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.135 7.465 -2.672 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.329 6.513 -2.595 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.376 6.882 -3.636 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -0.873 5.075 -2.785 1.00 0.00 C ATOM 0 H LEU A 125 0.215 8.745 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 125 1.071 6.140 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.497 8.486 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.300 7.396 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.781 6.606 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.218 6.193 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.724 7.899 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.937 6.818 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.734 4.410 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.398 4.970 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.160 4.813 -2.004 1.00 0.00 H new ATOM 2045 N GLU A 126 2.907 7.041 -3.079 1.00 0.00 N ATOM 2046 CA GLU A 126 4.173 7.450 -3.663 1.00 0.00 C ATOM 2047 C GLU A 126 4.274 6.922 -5.085 1.00 0.00 C ATOM 2048 O GLU A 126 3.611 5.950 -5.436 1.00 0.00 O ATOM 2049 CB GLU A 126 5.343 6.932 -2.824 1.00 0.00 C ATOM 2050 CG GLU A 126 6.503 7.910 -2.729 1.00 0.00 C ATOM 2051 CD GLU A 126 6.317 8.930 -1.622 1.00 0.00 C ATOM 2052 OE1 GLU A 126 5.646 8.602 -0.620 1.00 0.00 O ATOM 2053 OE2 GLU A 126 6.841 10.055 -1.759 1.00 0.00 O ATOM 0 H GLU A 126 2.544 6.159 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 126 4.218 8.539 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.986 6.705 -1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.701 5.997 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 126 7.426 7.357 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.615 8.429 -3.681 1.00 0.00 H new ATOM 2060 N PHE A 127 5.098 7.557 -5.903 1.00 0.00 N ATOM 2061 CA PHE A 127 5.266 7.127 -7.273 1.00 0.00 C ATOM 2062 C PHE A 127 6.643 6.491 -7.441 1.00 0.00 C ATOM 2063 O PHE A 127 7.623 6.954 -6.858 1.00 0.00 O ATOM 2064 CB PHE A 127 5.063 8.322 -8.208 1.00 0.00 C ATOM 2065 CG PHE A 127 5.723 8.181 -9.540 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.082 8.369 -9.660 1.00 0.00 C ATOM 2067 CD2 PHE A 127 4.984 7.866 -10.665 1.00 0.00 C ATOM 2068 CE1 PHE A 127 7.703 8.245 -10.885 1.00 0.00 C ATOM 2069 CE2 PHE A 127 5.596 7.741 -11.895 1.00 0.00 C ATOM 2070 CZ PHE A 127 6.961 7.931 -12.006 1.00 0.00 C ATOM 0 H PHE A 127 5.657 8.368 -5.639 1.00 0.00 H new ATOM 0 HA PHE A 127 4.522 6.374 -7.531 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.994 8.472 -8.360 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.445 9.219 -7.720 1.00 0.00 H new ATOM 0 HD1 PHE A 127 7.667 8.616 -8.786 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.918 7.716 -10.580 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.770 8.393 -10.967 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.011 7.495 -12.769 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.445 7.834 -12.967 1.00 0.00 H new ATOM 2080 N ASP A 128 6.708 5.416 -8.217 1.00 0.00 N ATOM 2081 CA ASP A 128 7.966 4.709 -8.426 1.00 0.00 C ATOM 2082 C ASP A 128 8.732 5.275 -9.618 1.00 0.00 C ATOM 2083 O ASP A 128 8.377 5.031 -10.769 1.00 0.00 O ATOM 2084 CB ASP A 128 7.703 3.218 -8.640 1.00 0.00 C ATOM 2085 CG ASP A 128 8.747 2.346 -7.970 1.00 0.00 C ATOM 2086 OD1 ASP A 128 9.905 2.341 -8.439 1.00 0.00 O ATOM 2087 OD2 ASP A 128 8.406 1.667 -6.979 1.00 0.00 O ATOM 0 H ASP A 128 5.909 5.016 -8.710 1.00 0.00 H new ATOM 0 HA ASP A 128 8.577 4.846 -7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.717 2.966 -8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.686 3.004 -9.709 1.00 0.00 H new ATOM 2092 N GLU A 129 9.790 6.028 -9.329 1.00 0.00 N ATOM 2093 CA GLU A 129 10.616 6.626 -10.372 1.00 0.00 C ATOM 2094 C GLU A 129 11.569 5.594 -10.971 1.00 0.00 C ATOM 2095 O GLU A 129 12.017 5.738 -12.109 1.00 0.00 O ATOM 2096 CB GLU A 129 11.413 7.808 -9.806 1.00 0.00 C ATOM 2097 CG GLU A 129 10.775 9.163 -10.072 1.00 0.00 C ATOM 2098 CD GLU A 129 11.691 10.319 -9.721 1.00 0.00 C ATOM 2099 OE1 GLU A 129 12.536 10.685 -10.565 1.00 0.00 O ATOM 2100 OE2 GLU A 129 11.564 10.858 -8.602 1.00 0.00 O ATOM 0 H GLU A 129 10.095 6.238 -8.379 1.00 0.00 H new ATOM 0 HA GLU A 129 9.957 6.986 -11.162 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.527 7.675 -8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.415 7.798 -10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.499 9.230 -11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.854 9.246 -9.495 1.00 0.00 H new