USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=25 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 :FLIP amide:sc= 0.957 F(o=0.93,f=2.2) USER MOD Set 1.2: A 42 THR OG1 : rot -40:sc= 1.24 USER MOD Set 2.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.37! C(o=-1.4!,f=-1.5!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= -3.99! (180deg=-4.77!) USER MOD Single : A 22 SER OG : rot 98:sc= 0.865 USER MOD Single : A 25 CYS SG : rot -122:sc= -0.367 USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.104) USER MOD Single : A 29 TYR OH : rot -153:sc= -0.568! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= -4.48! C(o=-4.5!,f=-7.7!) USER MOD Single : A 45 GLN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 46 ASN : amide:sc= 0.274 K(o=0.27,f=-3!) USER MOD Single : A 48 CYS SG : rot 57:sc= 0.0258 USER MOD Single : A 53 SER OG : rot -170:sc= -2.48 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 65 SER OG : rot 180:sc= -1.11 USER MOD Single : A 67 GLN : amide:sc= -0.0818 X(o=-0.082,f=-0.54) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -170:sc= 0.622 USER MOD Single : A 85 TYR OH : rot 30:sc= 0 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+ -168:sc= 0 (180deg=-0.0963) USER MOD Single : A 101 MET CE :methyl -141:sc= 0 (180deg=-0.276) USER MOD Single : A 104 ASN : amide:sc= -0.254 K(o=-0.25,f=-2.1!) USER MOD Single : A 107 CYS SG : rot 31:sc= -1.84 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.207 F(o=-0.94,f=-0.21) USER MOD Single : A 122 MET CE :methyl -165:sc= -2.11 (180deg=-2.99!) USER MOD Single : A 124 CYS SG : rot -46:sc= -2.13 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 2.354 2.765 -18.684 1.00 0.00 N ATOM 59 CA VAL A 4 2.845 4.041 -18.189 1.00 0.00 C ATOM 60 C VAL A 4 2.767 5.129 -19.254 1.00 0.00 C ATOM 61 O VAL A 4 3.145 4.920 -20.407 1.00 0.00 O ATOM 62 CB VAL A 4 4.294 3.920 -17.690 1.00 0.00 C ATOM 63 CG1 VAL A 4 4.348 3.090 -16.416 1.00 0.00 C ATOM 64 CG2 VAL A 4 5.184 3.316 -18.767 1.00 0.00 C ATOM 0 HA VAL A 4 2.200 4.324 -17.357 1.00 0.00 H new ATOM 0 HB VAL A 4 4.667 4.919 -17.465 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.380 3.013 -16.075 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.746 3.569 -15.644 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.957 2.092 -16.615 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.205 3.239 -18.394 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.817 2.323 -19.028 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.168 3.953 -19.652 1.00 0.00 H new ATOM 74 N VAL A 5 2.275 6.294 -18.850 1.00 0.00 N ATOM 75 CA VAL A 5 2.141 7.436 -19.747 1.00 0.00 C ATOM 76 C VAL A 5 3.453 8.209 -19.852 1.00 0.00 C ATOM 77 O VAL A 5 4.249 8.217 -18.914 1.00 0.00 O ATOM 78 CB VAL A 5 1.032 8.395 -19.277 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.340 7.777 -19.502 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.227 8.761 -17.813 1.00 0.00 C ATOM 0 H VAL A 5 1.959 6.474 -17.897 1.00 0.00 H new ATOM 0 HA VAL A 5 1.875 7.038 -20.726 1.00 0.00 H new ATOM 0 HB VAL A 5 1.094 9.309 -19.867 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.111 8.469 -19.164 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.477 7.572 -20.564 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.416 6.846 -18.940 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.434 9.439 -17.499 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.194 7.857 -17.204 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.193 9.249 -17.686 1.00 0.00 H new ATOM 90 N PRO A 6 3.696 8.868 -21.004 1.00 0.00 N ATOM 91 CA PRO A 6 4.908 9.649 -21.252 1.00 0.00 C ATOM 92 C PRO A 6 5.508 10.252 -19.984 1.00 0.00 C ATOM 93 O PRO A 6 6.688 10.056 -19.694 1.00 0.00 O ATOM 94 CB PRO A 6 4.393 10.737 -22.187 1.00 0.00 C ATOM 95 CG PRO A 6 3.326 10.068 -22.995 1.00 0.00 C ATOM 96 CD PRO A 6 2.796 8.913 -22.170 1.00 0.00 C ATOM 0 HA PRO A 6 5.720 9.045 -21.658 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.994 11.584 -21.628 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.190 11.122 -22.824 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.526 10.770 -23.232 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.728 9.711 -23.943 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.761 9.078 -21.870 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.820 7.978 -22.730 1.00 0.00 H new ATOM 104 N ASP A 7 4.688 10.968 -19.219 1.00 0.00 N ATOM 105 CA ASP A 7 5.138 11.570 -17.981 1.00 0.00 C ATOM 106 C ASP A 7 4.299 11.042 -16.828 1.00 0.00 C ATOM 107 O ASP A 7 3.322 11.658 -16.411 1.00 0.00 O ATOM 108 CB ASP A 7 5.053 13.095 -18.065 1.00 0.00 C ATOM 109 CG ASP A 7 5.934 13.660 -19.161 1.00 0.00 C ATOM 110 OD1 ASP A 7 5.461 13.751 -20.315 1.00 0.00 O ATOM 111 OD2 ASP A 7 7.096 14.012 -18.867 1.00 0.00 O ATOM 0 H ASP A 7 3.708 11.142 -19.441 1.00 0.00 H new ATOM 0 HA ASP A 7 6.181 11.304 -17.809 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.019 13.390 -18.245 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.346 13.526 -17.108 1.00 0.00 H new ATOM 116 N GLN A 8 4.690 9.884 -16.326 1.00 0.00 N ATOM 117 CA GLN A 8 3.988 9.245 -15.225 1.00 0.00 C ATOM 118 C GLN A 8 3.970 10.172 -14.025 1.00 0.00 C ATOM 119 O GLN A 8 2.932 10.385 -13.396 1.00 0.00 O ATOM 120 CB GLN A 8 4.660 7.922 -14.862 1.00 0.00 C ATOM 121 CG GLN A 8 4.707 6.928 -16.011 1.00 0.00 C ATOM 122 CD GLN A 8 6.123 6.611 -16.450 1.00 0.00 C ATOM 123 OE1 GLN A 8 6.678 7.278 -17.323 1.00 0.00 O ATOM 124 NE2 GLN A 8 6.715 5.587 -15.847 1.00 0.00 N ATOM 0 H GLN A 8 5.498 9.362 -16.667 1.00 0.00 H new ATOM 0 HA GLN A 8 2.963 9.037 -15.531 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.677 8.121 -14.523 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.128 7.471 -14.024 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.209 6.006 -15.710 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.150 7.330 -16.857 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.217 5.061 -15.128 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.667 5.326 -16.102 1.00 0.00 H new ATOM 133 N ARG A 9 5.125 10.747 -13.736 1.00 0.00 N ATOM 134 CA ARG A 9 5.249 11.685 -12.637 1.00 0.00 C ATOM 135 C ARG A 9 4.420 12.922 -12.927 1.00 0.00 C ATOM 136 O ARG A 9 4.011 13.626 -12.012 1.00 0.00 O ATOM 137 CB ARG A 9 6.715 12.067 -12.413 1.00 0.00 C ATOM 138 CG ARG A 9 7.426 12.533 -13.676 1.00 0.00 C ATOM 139 CD ARG A 9 8.623 11.653 -14.005 1.00 0.00 C ATOM 140 NE ARG A 9 9.797 12.439 -14.381 1.00 0.00 N ATOM 141 CZ ARG A 9 10.988 11.908 -14.653 1.00 0.00 C ATOM 142 NH1 ARG A 9 11.166 10.595 -14.592 1.00 0.00 N ATOM 143 NH2 ARG A 9 12.003 12.693 -14.987 1.00 0.00 N ATOM 0 H ARG A 9 5.991 10.579 -14.249 1.00 0.00 H new ATOM 0 HA ARG A 9 4.880 11.211 -11.727 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.765 12.859 -11.666 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.247 11.208 -12.003 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.727 12.523 -14.512 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.756 13.564 -13.548 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.864 11.032 -13.142 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.363 10.978 -14.820 1.00 0.00 H new ATOM 0 HE ARG A 9 9.698 13.453 -14.438 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.389 9.986 -14.336 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.080 10.194 -14.801 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.872 13.703 -15.036 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.915 12.287 -15.195 1.00 0.00 H new ATOM 157 N SER A 10 4.168 13.184 -14.207 1.00 0.00 N ATOM 158 CA SER A 10 3.374 14.347 -14.586 1.00 0.00 C ATOM 159 C SER A 10 1.960 14.237 -14.029 1.00 0.00 C ATOM 160 O SER A 10 1.373 15.233 -13.607 1.00 0.00 O ATOM 161 CB SER A 10 3.330 14.517 -16.110 1.00 0.00 C ATOM 162 OG SER A 10 2.301 15.413 -16.493 1.00 0.00 O ATOM 0 H SER A 10 4.497 12.616 -14.988 1.00 0.00 H new ATOM 0 HA SER A 10 3.853 15.228 -14.159 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.291 14.888 -16.466 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.168 13.548 -16.583 1.00 0.00 H new ATOM 0 HG SER A 10 2.294 15.506 -17.469 1.00 0.00 H new ATOM 168 N LYS A 11 1.421 13.025 -14.025 1.00 0.00 N ATOM 169 CA LYS A 11 0.078 12.798 -13.508 1.00 0.00 C ATOM 170 C LYS A 11 0.101 12.617 -12.007 1.00 0.00 C ATOM 171 O LYS A 11 -0.739 13.158 -11.301 1.00 0.00 O ATOM 172 CB LYS A 11 -0.564 11.584 -14.181 1.00 0.00 C ATOM 173 CG LYS A 11 -1.275 11.915 -15.482 1.00 0.00 C ATOM 174 CD LYS A 11 -0.326 11.849 -16.669 1.00 0.00 C ATOM 175 CE LYS A 11 -0.493 13.052 -17.583 1.00 0.00 C ATOM 176 NZ LYS A 11 0.482 13.033 -18.709 1.00 0.00 N ATOM 0 H LYS A 11 1.890 12.188 -14.372 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.523 13.678 -13.738 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.206 10.838 -14.377 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.277 11.132 -13.492 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.099 11.218 -15.635 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.709 12.913 -15.417 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.703 11.802 -16.312 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.510 10.934 -17.233 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.507 13.067 -17.981 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.363 13.967 -17.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.336 13.870 -19.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.450 13.044 -18.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.342 12.172 -19.275 1.00 0.00 H new ATOM 190 N PHE A 12 1.074 11.880 -11.515 1.00 0.00 N ATOM 191 CA PHE A 12 1.191 11.671 -10.097 1.00 0.00 C ATOM 192 C PHE A 12 1.551 12.992 -9.416 1.00 0.00 C ATOM 193 O PHE A 12 1.345 13.158 -8.214 1.00 0.00 O ATOM 194 CB PHE A 12 2.219 10.566 -9.824 1.00 0.00 C ATOM 195 CG PHE A 12 2.972 10.708 -8.537 1.00 0.00 C ATOM 196 CD1 PHE A 12 4.046 11.568 -8.460 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.613 9.977 -7.416 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.758 11.705 -7.283 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.317 10.103 -6.235 1.00 0.00 C ATOM 200 CZ PHE A 12 4.393 10.971 -6.167 1.00 0.00 C ATOM 0 H PHE A 12 1.790 11.420 -12.077 1.00 0.00 H new ATOM 0 HA PHE A 12 0.241 11.338 -9.679 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.705 9.605 -9.823 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.934 10.545 -10.646 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.335 12.141 -9.329 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.773 9.301 -7.467 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.597 12.383 -7.234 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.029 9.527 -5.368 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.947 11.076 -5.246 1.00 0.00 H new ATOM 210 N GLU A 13 2.095 13.932 -10.199 1.00 0.00 N ATOM 211 CA GLU A 13 2.482 15.236 -9.660 1.00 0.00 C ATOM 212 C GLU A 13 1.443 16.325 -9.948 1.00 0.00 C ATOM 213 O GLU A 13 1.352 17.307 -9.214 1.00 0.00 O ATOM 214 CB GLU A 13 3.847 15.664 -10.214 1.00 0.00 C ATOM 215 CG GLU A 13 3.787 16.276 -11.607 1.00 0.00 C ATOM 216 CD GLU A 13 5.154 16.386 -12.256 1.00 0.00 C ATOM 217 OE1 GLU A 13 5.636 15.371 -12.800 1.00 0.00 O ATOM 218 OE2 GLU A 13 5.740 17.488 -12.221 1.00 0.00 O ATOM 0 H GLU A 13 2.274 13.814 -11.196 1.00 0.00 H new ATOM 0 HA GLU A 13 2.544 15.120 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.295 16.385 -9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.506 14.796 -10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.137 15.670 -12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.338 17.267 -11.545 1.00 0.00 H new ATOM 225 N ASN A 14 0.695 16.176 -11.039 1.00 0.00 N ATOM 226 CA ASN A 14 -0.289 17.189 -11.422 1.00 0.00 C ATOM 227 C ASN A 14 -1.727 16.781 -11.104 1.00 0.00 C ATOM 228 O ASN A 14 -2.581 17.639 -10.888 1.00 0.00 O ATOM 229 CB ASN A 14 -0.165 17.498 -12.916 1.00 0.00 C ATOM 230 CG ASN A 14 -0.913 18.755 -13.312 1.00 0.00 C ATOM 231 OD1 ASN A 14 -0.821 19.784 -12.641 1.00 0.00 O ATOM 232 ND2 ASN A 14 -1.661 18.679 -14.407 1.00 0.00 N ATOM 0 H ASN A 14 0.749 15.374 -11.667 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.069 18.077 -10.829 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.888 17.609 -13.175 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.548 16.655 -13.491 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.188 19.493 -14.722 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.708 17.806 -14.933 1.00 0.00 H new ATOM 239 N GLU A 15 -2.002 15.483 -11.084 1.00 0.00 N ATOM 240 CA GLU A 15 -3.356 15.010 -10.798 1.00 0.00 C ATOM 241 C GLU A 15 -3.775 15.402 -9.379 1.00 0.00 C ATOM 242 O GLU A 15 -2.986 15.303 -8.443 1.00 0.00 O ATOM 243 CB GLU A 15 -3.453 13.500 -11.000 1.00 0.00 C ATOM 244 CG GLU A 15 -3.722 13.100 -12.441 1.00 0.00 C ATOM 245 CD GLU A 15 -5.100 13.519 -12.914 1.00 0.00 C ATOM 246 OE1 GLU A 15 -6.007 13.647 -12.065 1.00 0.00 O ATOM 247 OE2 GLU A 15 -5.274 13.719 -14.134 1.00 0.00 O ATOM 0 H GLU A 15 -1.319 14.746 -11.259 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.043 15.488 -11.497 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.524 13.036 -10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.248 13.107 -10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.968 13.550 -13.086 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.621 12.019 -12.539 1.00 0.00 H new ATOM 254 N GLU A 16 -5.013 15.880 -9.240 1.00 0.00 N ATOM 255 CA GLU A 16 -5.527 16.334 -7.942 1.00 0.00 C ATOM 256 C GLU A 16 -5.737 15.188 -6.953 1.00 0.00 C ATOM 257 O GLU A 16 -5.100 15.157 -5.900 1.00 0.00 O ATOM 258 CB GLU A 16 -6.824 17.134 -8.121 1.00 0.00 C ATOM 259 CG GLU A 16 -7.973 16.339 -8.721 1.00 0.00 C ATOM 260 CD GLU A 16 -9.015 17.226 -9.375 1.00 0.00 C ATOM 261 OE1 GLU A 16 -9.446 18.208 -8.735 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.401 16.936 -10.527 1.00 0.00 O ATOM 0 H GLU A 16 -5.679 15.964 -10.008 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.763 16.983 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.134 17.522 -7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.621 17.994 -8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.580 15.640 -9.460 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.446 15.744 -7.940 1.00 0.00 H new ATOM 269 N PHE A 17 -6.613 14.240 -7.280 1.00 0.00 N ATOM 270 CA PHE A 17 -6.862 13.108 -6.397 1.00 0.00 C ATOM 271 C PHE A 17 -5.581 12.317 -6.241 1.00 0.00 C ATOM 272 O PHE A 17 -5.302 11.754 -5.185 1.00 0.00 O ATOM 273 CB PHE A 17 -8.021 12.259 -6.962 1.00 0.00 C ATOM 274 CG PHE A 17 -7.873 10.765 -6.819 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.857 10.087 -7.470 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.769 10.041 -6.046 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.729 8.715 -7.349 1.00 0.00 C ATOM 278 CE2 PHE A 17 -8.649 8.668 -5.924 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.627 8.005 -6.575 1.00 0.00 C ATOM 0 H PHE A 17 -7.157 14.234 -8.143 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.166 13.445 -5.406 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.943 12.562 -6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.136 12.494 -8.020 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.155 10.636 -8.080 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.569 10.555 -5.534 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.928 8.199 -7.859 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -9.354 8.115 -5.320 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.530 6.934 -6.479 1.00 0.00 H new ATOM 289 N PHE A 18 -4.805 12.293 -7.305 1.00 0.00 N ATOM 290 CA PHE A 18 -3.550 11.596 -7.319 1.00 0.00 C ATOM 291 C PHE A 18 -2.552 12.362 -6.457 1.00 0.00 C ATOM 292 O PHE A 18 -1.603 11.788 -5.938 1.00 0.00 O ATOM 293 CB PHE A 18 -3.085 11.543 -8.761 1.00 0.00 C ATOM 294 CG PHE A 18 -2.382 10.293 -9.144 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.171 9.922 -8.598 1.00 0.00 C ATOM 296 CD2 PHE A 18 -2.977 9.486 -10.079 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.561 8.744 -8.995 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.383 8.312 -10.486 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.172 7.939 -9.944 1.00 0.00 C ATOM 0 H PHE A 18 -5.034 12.759 -8.183 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.642 10.586 -6.920 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.950 11.670 -9.412 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.421 12.387 -8.945 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.697 10.552 -7.859 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.927 9.776 -10.503 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.387 8.453 -8.567 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.863 7.688 -11.225 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.699 7.020 -10.258 1.00 0.00 H new ATOM 309 N ARG A 19 -2.798 13.669 -6.300 1.00 0.00 N ATOM 310 CA ARG A 19 -1.944 14.524 -5.486 1.00 0.00 C ATOM 311 C ARG A 19 -2.362 14.437 -4.021 1.00 0.00 C ATOM 312 O ARG A 19 -1.596 13.970 -3.172 1.00 0.00 O ATOM 313 CB ARG A 19 -2.027 15.978 -5.961 1.00 0.00 C ATOM 314 CG ARG A 19 -0.963 16.351 -6.983 1.00 0.00 C ATOM 315 CD ARG A 19 0.025 17.365 -6.427 1.00 0.00 C ATOM 316 NE ARG A 19 -0.643 18.461 -5.726 1.00 0.00 N ATOM 317 CZ ARG A 19 -1.152 19.531 -6.334 1.00 0.00 C ATOM 318 NH1 ARG A 19 -1.087 19.648 -7.655 1.00 0.00 N ATOM 319 NH2 ARG A 19 -1.731 20.486 -5.619 1.00 0.00 N ATOM 0 H ARG A 19 -3.586 14.153 -6.730 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.915 14.180 -5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.012 16.153 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.936 16.638 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.427 15.454 -7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.442 16.760 -7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.711 16.864 -5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.625 17.770 -7.242 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.724 18.402 -4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.645 18.916 -8.211 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.479 20.470 -8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.786 20.401 -4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.121 21.306 -6.084 1.00 0.00 H new ATOM 333 N LYS A 20 -3.598 14.865 -3.727 1.00 0.00 N ATOM 334 CA LYS A 20 -4.108 14.804 -2.360 1.00 0.00 C ATOM 335 C LYS A 20 -3.866 13.415 -1.791 1.00 0.00 C ATOM 336 O LYS A 20 -3.662 13.248 -0.588 1.00 0.00 O ATOM 337 CB LYS A 20 -5.597 15.165 -2.294 1.00 0.00 C ATOM 338 CG LYS A 20 -6.451 14.481 -3.349 1.00 0.00 C ATOM 339 CD LYS A 20 -7.406 15.463 -4.018 1.00 0.00 C ATOM 340 CE LYS A 20 -8.855 15.213 -3.626 1.00 0.00 C ATOM 341 NZ LYS A 20 -9.210 13.765 -3.654 1.00 0.00 N ATOM 0 H LYS A 20 -4.251 15.251 -4.409 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.573 15.540 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.979 14.903 -1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.703 16.245 -2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.807 14.028 -4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.021 13.673 -2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.128 16.481 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.306 15.385 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.031 15.608 -2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.511 15.758 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.243 13.660 -3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.866 13.340 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.769 13.284 -2.844 1.00 0.00 H new ATOM 355 N LEU A 21 -3.849 12.422 -2.678 1.00 0.00 N ATOM 356 CA LEU A 21 -3.583 11.052 -2.271 1.00 0.00 C ATOM 357 C LEU A 21 -2.078 10.800 -2.313 1.00 0.00 C ATOM 358 O LEU A 21 -1.536 10.100 -1.458 1.00 0.00 O ATOM 359 CB LEU A 21 -4.310 10.061 -3.177 1.00 0.00 C ATOM 360 CG LEU A 21 -5.834 10.095 -3.081 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.445 9.140 -4.087 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.287 9.746 -1.675 1.00 0.00 C ATOM 0 H LEU A 21 -4.016 12.543 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.951 10.907 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.022 10.257 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.968 9.054 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.173 11.105 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.532 9.174 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.145 9.431 -5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.098 8.127 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.375 9.775 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.939 8.745 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.872 10.466 -0.970 1.00 0.00 H new ATOM 374 N SER A 22 -1.401 11.409 -3.296 1.00 0.00 N ATOM 375 CA SER A 22 0.055 11.278 -3.426 1.00 0.00 C ATOM 376 C SER A 22 0.751 11.654 -2.121 1.00 0.00 C ATOM 377 O SER A 22 1.924 11.341 -1.920 1.00 0.00 O ATOM 378 CB SER A 22 0.589 12.165 -4.554 1.00 0.00 C ATOM 379 OG SER A 22 1.967 12.446 -4.378 1.00 0.00 O ATOM 0 H SER A 22 -1.836 11.994 -4.009 1.00 0.00 H new ATOM 0 HA SER A 22 0.268 10.235 -3.662 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.436 11.670 -5.513 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.026 13.098 -4.584 1.00 0.00 H new ATOM 0 HG SER A 22 2.499 11.834 -4.928 1.00 0.00 H new ATOM 385 N ARG A 23 0.028 12.341 -1.243 1.00 0.00 N ATOM 386 CA ARG A 23 0.581 12.770 0.032 1.00 0.00 C ATOM 387 C ARG A 23 0.171 11.813 1.146 1.00 0.00 C ATOM 388 O ARG A 23 -0.331 10.718 0.883 1.00 0.00 O ATOM 389 CB ARG A 23 0.104 14.186 0.355 1.00 0.00 C ATOM 390 CG ARG A 23 0.059 15.104 -0.859 1.00 0.00 C ATOM 391 CD ARG A 23 1.414 15.742 -1.132 1.00 0.00 C ATOM 392 NE ARG A 23 1.356 17.202 -1.074 1.00 0.00 N ATOM 393 CZ ARG A 23 1.498 17.909 0.045 1.00 0.00 C ATOM 394 NH1 ARG A 23 1.699 17.300 1.208 1.00 0.00 N ATOM 395 NH2 ARG A 23 1.436 19.233 0.003 1.00 0.00 N ATOM 0 H ARG A 23 -0.944 12.612 -1.393 1.00 0.00 H new ATOM 0 HA ARG A 23 1.668 12.766 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.891 14.134 0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.764 14.621 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.259 14.536 -1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.685 15.884 -0.698 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.139 15.379 -0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.769 15.432 -2.115 1.00 0.00 H new ATOM 0 HE ARG A 23 1.197 17.710 -1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.746 16.282 1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.807 17.850 2.060 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.280 19.708 -0.886 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.545 19.776 0.860 1.00 0.00 H new ATOM 409 N GLU A 24 0.408 12.224 2.388 1.00 0.00 N ATOM 410 CA GLU A 24 0.081 11.397 3.546 1.00 0.00 C ATOM 411 C GLU A 24 -1.126 11.944 4.301 1.00 0.00 C ATOM 412 O GLU A 24 -1.309 13.156 4.408 1.00 0.00 O ATOM 413 CB GLU A 24 1.285 11.312 4.488 1.00 0.00 C ATOM 414 CG GLU A 24 1.733 12.661 5.025 1.00 0.00 C ATOM 415 CD GLU A 24 3.012 12.571 5.835 1.00 0.00 C ATOM 416 OE1 GLU A 24 3.052 11.776 6.797 1.00 0.00 O ATOM 417 OE2 GLU A 24 3.975 13.296 5.506 1.00 0.00 O ATOM 0 H GLU A 24 0.826 13.125 2.619 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.170 10.400 3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.035 10.661 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.117 10.846 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.882 13.348 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.942 13.081 5.647 1.00 0.00 H new ATOM 424 N CYS A 25 -1.942 11.035 4.827 1.00 0.00 N ATOM 425 CA CYS A 25 -3.131 11.416 5.579 1.00 0.00 C ATOM 426 C CYS A 25 -3.466 10.371 6.638 1.00 0.00 C ATOM 427 O CYS A 25 -2.626 9.547 7.000 1.00 0.00 O ATOM 428 CB CYS A 25 -4.318 11.622 4.629 1.00 0.00 C ATOM 429 SG CYS A 25 -5.209 10.105 4.201 1.00 0.00 S ATOM 0 H CYS A 25 -1.800 10.028 4.746 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.925 12.357 6.089 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.017 12.322 5.087 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.957 12.087 3.712 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.206 9.949 2.910 1.00 0.00 H new ATOM 435 N GLU A 26 -4.701 10.411 7.128 1.00 0.00 N ATOM 436 CA GLU A 26 -5.150 9.470 8.142 1.00 0.00 C ATOM 437 C GLU A 26 -5.979 8.350 7.522 1.00 0.00 C ATOM 438 O GLU A 26 -6.998 8.593 6.873 1.00 0.00 O ATOM 439 CB GLU A 26 -5.973 10.196 9.210 1.00 0.00 C ATOM 440 CG GLU A 26 -5.379 11.529 9.634 1.00 0.00 C ATOM 441 CD GLU A 26 -5.186 11.633 11.135 1.00 0.00 C ATOM 442 OE1 GLU A 26 -4.429 10.812 11.694 1.00 0.00 O ATOM 443 OE2 GLU A 26 -5.791 12.536 11.750 1.00 0.00 O ATOM 0 H GLU A 26 -5.408 11.087 6.837 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.268 9.028 8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.981 10.361 8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.064 9.553 10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.419 11.668 9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.031 12.336 9.299 1.00 0.00 H new ATOM 450 N ILE A 27 -5.538 7.118 7.735 1.00 0.00 N ATOM 451 CA ILE A 27 -6.241 5.952 7.212 1.00 0.00 C ATOM 452 C ILE A 27 -6.911 5.182 8.346 1.00 0.00 C ATOM 453 O ILE A 27 -6.544 5.340 9.511 1.00 0.00 O ATOM 454 CB ILE A 27 -5.292 5.009 6.447 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.166 4.524 7.361 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.724 5.709 5.222 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.408 3.341 6.803 1.00 0.00 C ATOM 0 H ILE A 27 -4.696 6.899 8.267 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.997 6.316 6.517 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.860 4.140 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.469 5.344 7.533 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.586 4.253 8.330 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.056 5.030 4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.539 6.005 4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.170 6.594 5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.624 3.049 7.502 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.093 2.506 6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.959 3.614 5.848 1.00 0.00 H new ATOM 469 N LYS A 28 -7.899 4.357 8.010 1.00 0.00 N ATOM 470 CA LYS A 28 -8.611 3.583 9.031 1.00 0.00 C ATOM 471 C LYS A 28 -9.276 2.340 8.446 1.00 0.00 C ATOM 472 O LYS A 28 -9.462 2.233 7.236 1.00 0.00 O ATOM 473 CB LYS A 28 -9.660 4.458 9.718 1.00 0.00 C ATOM 474 CG LYS A 28 -10.669 5.068 8.759 1.00 0.00 C ATOM 475 CD LYS A 28 -11.957 4.258 8.714 1.00 0.00 C ATOM 476 CE LYS A 28 -13.178 5.136 8.934 1.00 0.00 C ATOM 477 NZ LYS A 28 -13.297 6.193 7.892 1.00 0.00 N ATOM 0 H LYS A 28 -8.224 4.206 7.055 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.874 3.252 9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.191 3.860 10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.155 5.259 10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.891 6.090 9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.237 5.121 7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.038 3.756 7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.925 3.480 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.076 4.518 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.118 5.601 9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.258 6.590 7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.607 6.948 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.109 5.780 6.956 1.00 0.00 H new ATOM 491 N TYR A 29 -9.631 1.399 9.322 1.00 0.00 N ATOM 492 CA TYR A 29 -10.274 0.156 8.901 1.00 0.00 C ATOM 493 C TYR A 29 -11.774 0.340 8.684 1.00 0.00 C ATOM 494 O TYR A 29 -12.452 1.005 9.469 1.00 0.00 O ATOM 495 CB TYR A 29 -10.029 -0.945 9.938 1.00 0.00 C ATOM 496 CG TYR A 29 -9.277 -2.142 9.394 1.00 0.00 C ATOM 497 CD1 TYR A 29 -8.302 -1.994 8.413 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.547 -3.423 9.859 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.620 -3.087 7.913 1.00 0.00 C ATOM 500 CE2 TYR A 29 -8.868 -4.521 9.365 1.00 0.00 C ATOM 501 CZ TYR A 29 -7.906 -4.347 8.390 1.00 0.00 C ATOM 502 OH TYR A 29 -7.228 -5.435 7.889 1.00 0.00 O ATOM 0 H TYR A 29 -9.483 1.475 10.328 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.831 -0.136 7.949 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.469 -0.526 10.774 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.988 -1.279 10.333 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.074 -1.008 8.036 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.301 -3.563 10.620 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.866 -2.954 7.151 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.089 -5.510 9.740 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.787 -6.235 7.972 1.00 0.00 H new ATOM 512 N THR A 30 -12.283 -0.269 7.614 1.00 0.00 N ATOM 513 CA THR A 30 -13.704 -0.197 7.280 1.00 0.00 C ATOM 514 C THR A 30 -14.062 -1.223 6.201 1.00 0.00 C ATOM 515 O THR A 30 -15.024 -1.043 5.454 1.00 0.00 O ATOM 516 CB THR A 30 -14.078 1.220 6.826 1.00 0.00 C ATOM 517 OG1 THR A 30 -15.412 1.525 7.191 1.00 0.00 O ATOM 518 CG2 THR A 30 -13.955 1.438 5.335 1.00 0.00 C ATOM 0 H THR A 30 -11.728 -0.821 6.960 1.00 0.00 H new ATOM 0 HA THR A 30 -14.278 -0.434 8.176 1.00 0.00 H new ATOM 0 HB THR A 30 -13.364 1.873 7.327 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.633 2.433 6.895 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.236 2.463 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.925 1.262 5.025 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.615 0.747 4.811 1.00 0.00 H new ATOM 526 N GLY A 31 -13.282 -2.300 6.126 1.00 0.00 N ATOM 527 CA GLY A 31 -13.536 -3.330 5.136 1.00 0.00 C ATOM 528 C GLY A 31 -14.244 -4.537 5.718 1.00 0.00 C ATOM 529 O GLY A 31 -15.412 -4.782 5.419 1.00 0.00 O ATOM 0 H GLY A 31 -12.481 -2.476 6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.140 -2.913 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.591 -3.646 4.695 1.00 0.00 H new ATOM 533 N PHE A 32 -13.537 -5.293 6.553 1.00 0.00 N ATOM 534 CA PHE A 32 -14.113 -6.481 7.177 1.00 0.00 C ATOM 535 C PHE A 32 -14.154 -6.348 8.700 1.00 0.00 C ATOM 536 O PHE A 32 -14.447 -7.314 9.406 1.00 0.00 O ATOM 537 CB PHE A 32 -13.328 -7.734 6.781 1.00 0.00 C ATOM 538 CG PHE A 32 -11.835 -7.552 6.773 1.00 0.00 C ATOM 539 CD1 PHE A 32 -11.213 -6.841 5.761 1.00 0.00 C ATOM 540 CD2 PHE A 32 -11.054 -8.110 7.771 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.839 -6.687 5.747 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.678 -7.964 7.764 1.00 0.00 C ATOM 543 CZ PHE A 32 -9.070 -7.249 6.749 1.00 0.00 C ATOM 0 H PHE A 32 -12.569 -5.106 6.813 1.00 0.00 H new ATOM 0 HA PHE A 32 -15.137 -6.576 6.817 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.580 -8.540 7.470 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.649 -8.051 5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.808 -6.402 4.974 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.526 -8.667 8.567 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.366 -6.128 4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.082 -8.407 8.548 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.997 -7.130 6.739 1.00 0.00 H new ATOM 553 N ARG A 33 -13.870 -5.150 9.201 1.00 0.00 N ATOM 554 CA ARG A 33 -13.886 -4.896 10.638 1.00 0.00 C ATOM 555 C ARG A 33 -15.278 -4.485 11.101 1.00 0.00 C ATOM 556 O ARG A 33 -15.550 -4.412 12.300 1.00 0.00 O ATOM 557 CB ARG A 33 -12.851 -3.818 10.990 1.00 0.00 C ATOM 558 CG ARG A 33 -13.439 -2.443 11.292 1.00 0.00 C ATOM 559 CD ARG A 33 -14.076 -1.818 10.061 1.00 0.00 C ATOM 560 NE ARG A 33 -15.471 -1.445 10.289 1.00 0.00 N ATOM 561 CZ ARG A 33 -15.862 -0.534 11.177 1.00 0.00 C ATOM 562 NH1 ARG A 33 -14.967 0.111 11.916 1.00 0.00 N ATOM 563 NH2 ARG A 33 -17.152 -0.263 11.324 1.00 0.00 N ATOM 0 H ARG A 33 -13.626 -4.339 8.633 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.622 -5.816 11.159 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.279 -4.152 11.856 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.149 -3.724 10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.185 -2.532 12.082 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.654 -1.787 11.668 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.509 -0.934 9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.021 -2.521 9.229 1.00 0.00 H new ATOM 0 HE ARG A 33 -16.188 -1.911 9.734 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.973 -0.091 11.805 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.273 0.808 12.595 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.844 -0.753 10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.452 0.435 12.004 1.00 0.00 H new ATOM 577 N ASP A 34 -16.152 -4.213 10.143 1.00 0.00 N ATOM 578 CA ASP A 34 -17.515 -3.803 10.440 1.00 0.00 C ATOM 579 C ASP A 34 -18.227 -4.802 11.351 1.00 0.00 C ATOM 580 O ASP A 34 -19.300 -4.503 11.876 1.00 0.00 O ATOM 581 CB ASP A 34 -18.306 -3.627 9.143 1.00 0.00 C ATOM 582 CG ASP A 34 -18.153 -4.808 8.205 1.00 0.00 C ATOM 583 OD1 ASP A 34 -17.031 -5.022 7.698 1.00 0.00 O ATOM 584 OD2 ASP A 34 -19.154 -5.519 7.977 1.00 0.00 O ATOM 0 H ASP A 34 -15.939 -4.270 9.147 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.462 -2.851 10.969 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.361 -3.490 9.380 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.973 -2.720 8.638 1.00 0.00 H new ATOM 589 N ARG A 35 -17.645 -5.991 11.543 1.00 0.00 N ATOM 590 CA ARG A 35 -18.277 -6.993 12.400 1.00 0.00 C ATOM 591 C ARG A 35 -17.379 -7.394 13.581 1.00 0.00 C ATOM 592 O ARG A 35 -17.687 -7.051 14.722 1.00 0.00 O ATOM 593 CB ARG A 35 -18.726 -8.218 11.586 1.00 0.00 C ATOM 594 CG ARG A 35 -18.875 -7.951 10.091 1.00 0.00 C ATOM 595 CD ARG A 35 -17.533 -7.942 9.371 1.00 0.00 C ATOM 596 NE ARG A 35 -17.209 -9.249 8.804 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.755 -9.730 7.689 1.00 0.00 C ATOM 598 NH1 ARG A 35 -18.641 -9.012 7.011 1.00 0.00 N ATOM 599 NH2 ARG A 35 -17.410 -10.933 7.249 1.00 0.00 N ATOM 0 H ARG A 35 -16.759 -6.276 11.127 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.169 -6.535 12.827 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.004 -9.022 11.731 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.680 -8.572 11.978 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.517 -8.714 9.650 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.371 -6.992 9.943 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.553 -7.196 8.576 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.749 -7.644 10.068 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.524 -9.827 9.291 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.908 -8.085 7.343 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -19.055 -9.387 6.158 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.727 -11.488 7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.828 -11.303 6.395 1.00 0.00 H new ATOM 613 N PRO A 36 -16.266 -8.128 13.355 1.00 0.00 N ATOM 614 CA PRO A 36 -15.374 -8.555 14.419 1.00 0.00 C ATOM 615 C PRO A 36 -14.100 -7.718 14.490 1.00 0.00 C ATOM 616 O PRO A 36 -12.998 -8.261 14.529 1.00 0.00 O ATOM 617 CB PRO A 36 -15.045 -9.973 13.971 1.00 0.00 C ATOM 618 CG PRO A 36 -15.041 -9.905 12.470 1.00 0.00 C ATOM 619 CD PRO A 36 -15.766 -8.633 12.072 1.00 0.00 C ATOM 0 HA PRO A 36 -15.816 -8.465 15.411 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.078 -10.296 14.356 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.786 -10.685 14.334 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.020 -9.900 12.089 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.536 -10.778 12.045 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.097 -7.920 11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.577 -8.832 11.372 1.00 0.00 H new ATOM 627 N HIS A 37 -14.255 -6.398 14.493 1.00 0.00 N ATOM 628 CA HIS A 37 -13.114 -5.482 14.545 1.00 0.00 C ATOM 629 C HIS A 37 -12.042 -5.955 15.536 1.00 0.00 C ATOM 630 O HIS A 37 -10.847 -5.913 15.236 1.00 0.00 O ATOM 631 CB HIS A 37 -13.595 -4.074 14.914 1.00 0.00 C ATOM 632 CG HIS A 37 -12.488 -3.099 15.182 1.00 0.00 C ATOM 633 ND1 HIS A 37 -11.944 -2.910 16.434 1.00 0.00 N ATOM 634 CD2 HIS A 37 -11.831 -2.247 14.356 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.007 -1.984 16.369 1.00 0.00 C ATOM 636 NE2 HIS A 37 -10.916 -1.564 15.121 1.00 0.00 N ATOM 0 H HIS A 37 -15.163 -5.934 14.460 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.656 -5.464 13.556 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.215 -3.690 14.104 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.230 -4.139 15.798 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.223 -3.409 17.279 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -11.996 -2.128 13.295 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.413 -1.629 17.198 1.00 0.00 H new ATOM 645 N GLU A 38 -12.471 -6.391 16.716 1.00 0.00 N ATOM 646 CA GLU A 38 -11.543 -6.851 17.748 1.00 0.00 C ATOM 647 C GLU A 38 -10.746 -8.072 17.299 1.00 0.00 C ATOM 648 O GLU A 38 -9.574 -8.216 17.649 1.00 0.00 O ATOM 649 CB GLU A 38 -12.298 -7.167 19.041 1.00 0.00 C ATOM 650 CG GLU A 38 -13.387 -8.213 18.872 1.00 0.00 C ATOM 651 CD GLU A 38 -14.767 -7.599 18.734 1.00 0.00 C ATOM 652 OE1 GLU A 38 -14.856 -6.433 18.297 1.00 0.00 O ATOM 653 OE2 GLU A 38 -15.758 -8.285 19.064 1.00 0.00 O ATOM 0 H GLU A 38 -13.454 -6.436 16.983 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.835 -6.042 17.929 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.587 -7.513 19.791 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.744 -6.249 19.424 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.172 -8.817 17.991 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.376 -8.886 19.730 1.00 0.00 H new ATOM 660 N GLU A 39 -11.365 -8.934 16.503 1.00 0.00 N ATOM 661 CA GLU A 39 -10.675 -10.114 15.993 1.00 0.00 C ATOM 662 C GLU A 39 -9.931 -9.713 14.749 1.00 0.00 C ATOM 663 O GLU A 39 -8.799 -10.124 14.500 1.00 0.00 O ATOM 664 CB GLU A 39 -11.663 -11.234 15.674 1.00 0.00 C ATOM 665 CG GLU A 39 -11.168 -12.614 16.072 1.00 0.00 C ATOM 666 CD GLU A 39 -11.819 -13.123 17.343 1.00 0.00 C ATOM 667 OE1 GLU A 39 -12.969 -13.606 17.269 1.00 0.00 O ATOM 668 OE2 GLU A 39 -11.180 -13.039 18.413 1.00 0.00 O ATOM 0 H GLU A 39 -12.334 -8.841 16.198 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.986 -10.491 16.749 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.604 -11.033 16.186 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.874 -11.227 14.605 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.366 -13.315 15.261 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.087 -12.583 16.209 1.00 0.00 H new ATOM 675 N ARG A 40 -10.603 -8.871 13.988 1.00 0.00 N ATOM 676 CA ARG A 40 -10.076 -8.335 12.765 1.00 0.00 C ATOM 677 C ARG A 40 -8.731 -7.668 13.019 1.00 0.00 C ATOM 678 O ARG A 40 -7.900 -7.566 12.117 1.00 0.00 O ATOM 679 CB ARG A 40 -11.083 -7.339 12.208 1.00 0.00 C ATOM 680 CG ARG A 40 -12.288 -7.985 11.529 1.00 0.00 C ATOM 681 CD ARG A 40 -11.919 -9.240 10.749 1.00 0.00 C ATOM 682 NE ARG A 40 -12.009 -10.452 11.563 1.00 0.00 N ATOM 683 CZ ARG A 40 -12.579 -11.586 11.150 1.00 0.00 C ATOM 684 NH1 ARG A 40 -13.084 -11.683 9.925 1.00 0.00 N ATOM 685 NH2 ARG A 40 -12.637 -12.631 11.964 1.00 0.00 N ATOM 0 H ARG A 40 -11.542 -8.541 14.212 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.915 -9.133 12.040 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.435 -6.702 13.020 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.579 -6.692 11.490 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.033 -8.237 12.283 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.749 -7.264 10.853 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.579 -9.335 9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.904 -9.139 10.364 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.612 -10.429 12.502 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.038 -10.886 9.290 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.517 -12.554 9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.246 -12.567 12.904 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.072 -13.498 11.650 1.00 0.00 H new ATOM 699 N GLN A 41 -8.502 -7.247 14.266 1.00 0.00 N ATOM 700 CA GLN A 41 -7.231 -6.633 14.625 1.00 0.00 C ATOM 701 C GLN A 41 -6.122 -7.643 14.369 1.00 0.00 C ATOM 702 O GLN A 41 -5.030 -7.298 13.913 1.00 0.00 O ATOM 703 CB GLN A 41 -7.231 -6.170 16.088 1.00 0.00 C ATOM 704 CG GLN A 41 -7.040 -7.289 17.103 1.00 0.00 C ATOM 705 CD GLN A 41 -5.607 -7.398 17.586 1.00 0.00 C ATOM 706 OE1 GLN A 41 -4.955 -8.508 17.261 1.00 0.00 O flip ATOM 707 NE2 GLN A 41 -5.091 -6.494 18.243 1.00 0.00 N flip ATOM 0 H GLN A 41 -9.173 -7.321 15.031 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.068 -5.745 14.014 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.438 -5.434 16.223 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.174 -5.664 16.296 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.695 -7.116 17.957 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.342 -8.236 16.656 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.629 -5.658 18.470 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.125 -6.581 18.560 1.00 0.00 H new ATOM 716 N THR A 42 -6.447 -8.908 14.620 1.00 0.00 N ATOM 717 CA THR A 42 -5.524 -10.000 14.377 1.00 0.00 C ATOM 718 C THR A 42 -5.609 -10.384 12.913 1.00 0.00 C ATOM 719 O THR A 42 -4.607 -10.743 12.296 1.00 0.00 O ATOM 720 CB THR A 42 -5.857 -11.201 15.264 1.00 0.00 C ATOM 721 OG1 THR A 42 -5.935 -10.814 16.624 1.00 0.00 O ATOM 722 CG2 THR A 42 -4.841 -12.318 15.161 1.00 0.00 C ATOM 0 H THR A 42 -7.350 -9.198 14.994 1.00 0.00 H new ATOM 0 HA THR A 42 -4.510 -9.682 14.620 1.00 0.00 H new ATOM 0 HB THR A 42 -6.817 -11.570 14.904 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.224 -10.169 16.822 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.136 -13.139 15.814 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.793 -12.673 14.131 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.861 -11.948 15.463 1.00 0.00 H new ATOM 730 N ARG A 43 -6.812 -10.275 12.346 1.00 0.00 N ATOM 731 CA ARG A 43 -6.997 -10.584 10.933 1.00 0.00 C ATOM 732 C ARG A 43 -6.145 -9.644 10.096 1.00 0.00 C ATOM 733 O ARG A 43 -5.611 -10.028 9.057 1.00 0.00 O ATOM 734 CB ARG A 43 -8.461 -10.445 10.514 1.00 0.00 C ATOM 735 CG ARG A 43 -9.399 -11.463 11.146 1.00 0.00 C ATOM 736 CD ARG A 43 -8.723 -12.811 11.368 1.00 0.00 C ATOM 737 NE ARG A 43 -9.690 -13.877 11.622 1.00 0.00 N ATOM 738 CZ ARG A 43 -9.364 -15.072 12.113 1.00 0.00 C ATOM 739 NH1 ARG A 43 -8.100 -15.355 12.400 1.00 0.00 N ATOM 740 NH2 ARG A 43 -10.304 -15.985 12.314 1.00 0.00 N ATOM 0 H ARG A 43 -7.657 -9.980 12.836 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.694 -11.618 10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.806 -9.444 10.772 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.525 -10.535 9.430 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.760 -11.078 12.100 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.271 -11.597 10.506 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.126 -13.065 10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.036 -12.737 12.211 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.671 -13.696 11.411 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.373 -14.656 12.245 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.855 -16.271 12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.277 -15.773 12.093 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.054 -16.900 12.690 1.00 0.00 H new ATOM 754 N PHE A 44 -6.015 -8.407 10.570 1.00 0.00 N ATOM 755 CA PHE A 44 -5.223 -7.407 9.884 1.00 0.00 C ATOM 756 C PHE A 44 -3.739 -7.735 10.034 1.00 0.00 C ATOM 757 O PHE A 44 -3.031 -7.922 9.043 1.00 0.00 O ATOM 758 CB PHE A 44 -5.534 -6.019 10.452 1.00 0.00 C ATOM 759 CG PHE A 44 -4.343 -5.119 10.509 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.921 -4.436 9.383 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.641 -4.971 11.686 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.813 -3.616 9.431 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.531 -4.151 11.747 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.115 -3.471 10.617 1.00 0.00 C ATOM 0 H PHE A 44 -6.453 -8.079 11.431 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.473 -7.408 8.823 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.306 -5.550 9.842 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.945 -6.129 11.456 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.465 -4.546 8.456 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.962 -5.502 12.570 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.491 -3.088 8.545 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.989 -4.041 12.675 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.248 -2.829 10.660 1.00 0.00 H new ATOM 774 N GLN A 45 -3.279 -7.817 11.284 1.00 0.00 N ATOM 775 CA GLN A 45 -1.882 -8.140 11.564 1.00 0.00 C ATOM 776 C GLN A 45 -1.525 -9.495 10.960 1.00 0.00 C ATOM 777 O GLN A 45 -0.376 -9.748 10.598 1.00 0.00 O ATOM 778 CB GLN A 45 -1.625 -8.146 13.073 1.00 0.00 C ATOM 779 CG GLN A 45 -0.478 -7.243 13.497 1.00 0.00 C ATOM 780 CD GLN A 45 0.295 -7.796 14.679 1.00 0.00 C ATOM 781 OE1 GLN A 45 1.526 -7.813 14.677 1.00 0.00 O ATOM 782 NE2 GLN A 45 -0.425 -8.252 15.697 1.00 0.00 N ATOM 0 H GLN A 45 -3.852 -7.665 12.114 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.251 -7.376 11.110 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.533 -7.834 13.589 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.411 -9.166 13.393 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.201 -7.106 12.656 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.871 -6.259 13.753 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.444 -8.219 15.657 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.041 -8.636 16.520 1.00 0.00 H new ATOM 791 N ASN A 46 -2.534 -10.351 10.832 1.00 0.00 N ATOM 792 CA ASN A 46 -2.357 -11.674 10.246 1.00 0.00 C ATOM 793 C ASN A 46 -2.339 -11.552 8.730 1.00 0.00 C ATOM 794 O ASN A 46 -1.736 -12.364 8.030 1.00 0.00 O ATOM 795 CB ASN A 46 -3.481 -12.614 10.685 1.00 0.00 C ATOM 796 CG ASN A 46 -3.293 -14.024 10.159 1.00 0.00 C ATOM 797 OD1 ASN A 46 -2.225 -14.616 10.304 1.00 0.00 O ATOM 798 ND2 ASN A 46 -4.335 -14.569 9.541 1.00 0.00 N ATOM 0 H ASN A 46 -3.489 -10.149 11.129 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.411 -12.092 10.591 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.526 -12.638 11.774 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.436 -12.223 10.335 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.267 -15.515 9.165 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.203 -14.042 9.443 1.00 0.00 H new ATOM 805 N ALA A 47 -2.983 -10.499 8.238 1.00 0.00 N ATOM 806 CA ALA A 47 -3.024 -10.218 6.818 1.00 0.00 C ATOM 807 C ALA A 47 -1.664 -9.705 6.389 1.00 0.00 C ATOM 808 O ALA A 47 -1.219 -9.941 5.264 1.00 0.00 O ATOM 809 CB ALA A 47 -4.112 -9.200 6.504 1.00 0.00 C ATOM 0 H ALA A 47 -3.487 -9.823 8.813 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.261 -11.129 6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.127 -9.002 5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.080 -9.595 6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.909 -8.273 7.041 1.00 0.00 H new ATOM 815 N CYS A 48 -0.989 -9.034 7.319 1.00 0.00 N ATOM 816 CA CYS A 48 0.348 -8.525 7.060 1.00 0.00 C ATOM 817 C CYS A 48 1.293 -9.698 6.862 1.00 0.00 C ATOM 818 O CYS A 48 2.353 -9.566 6.252 1.00 0.00 O ATOM 819 CB CYS A 48 0.828 -7.645 8.215 1.00 0.00 C ATOM 820 SG CYS A 48 -0.230 -6.214 8.543 1.00 0.00 S ATOM 0 H CYS A 48 -1.347 -8.833 8.253 1.00 0.00 H new ATOM 0 HA CYS A 48 0.330 -7.912 6.159 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.890 -8.252 9.118 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.837 -7.295 7.996 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.443 -6.617 8.780 1.00 0.00 H new ATOM 826 N ARG A 49 0.881 -10.860 7.368 1.00 0.00 N ATOM 827 CA ARG A 49 1.672 -12.073 7.229 1.00 0.00 C ATOM 828 C ARG A 49 1.487 -12.646 5.824 1.00 0.00 C ATOM 829 O ARG A 49 2.359 -13.344 5.305 1.00 0.00 O ATOM 830 CB ARG A 49 1.271 -13.093 8.306 1.00 0.00 C ATOM 831 CG ARG A 49 1.222 -14.537 7.826 1.00 0.00 C ATOM 832 CD ARG A 49 0.916 -15.495 8.967 1.00 0.00 C ATOM 833 NE ARG A 49 -0.281 -16.292 8.707 1.00 0.00 N ATOM 834 CZ ARG A 49 -0.307 -17.345 7.895 1.00 0.00 C ATOM 835 NH1 ARG A 49 0.793 -17.728 7.258 1.00 0.00 N ATOM 836 NH2 ARG A 49 -1.437 -18.017 7.718 1.00 0.00 N ATOM 0 H ARG A 49 0.005 -10.983 7.876 1.00 0.00 H new ATOM 0 HA ARG A 49 2.727 -11.839 7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.976 -13.023 9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.291 -12.821 8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.462 -14.638 7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.177 -14.803 7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.767 -16.159 9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.782 -14.929 9.889 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.147 -16.025 9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.664 -17.214 7.390 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.767 -18.536 6.636 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.285 -17.726 8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.458 -18.825 7.095 1.00 0.00 H new ATOM 850 N ASP A 50 0.348 -12.328 5.210 1.00 0.00 N ATOM 851 CA ASP A 50 0.045 -12.789 3.861 1.00 0.00 C ATOM 852 C ASP A 50 0.300 -11.680 2.837 1.00 0.00 C ATOM 853 O ASP A 50 -0.039 -11.819 1.662 1.00 0.00 O ATOM 854 CB ASP A 50 -1.409 -13.258 3.773 1.00 0.00 C ATOM 855 CG ASP A 50 -1.725 -14.354 4.773 1.00 0.00 C ATOM 856 OD1 ASP A 50 -1.508 -14.134 5.983 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.190 -15.431 4.345 1.00 0.00 O ATOM 0 H ASP A 50 -0.381 -11.751 5.629 1.00 0.00 H new ATOM 0 HA ASP A 50 0.703 -13.628 3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.072 -12.410 3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.611 -13.621 2.765 1.00 0.00 H new ATOM 862 N GLY A 51 0.909 -10.584 3.290 1.00 0.00 N ATOM 863 CA GLY A 51 1.210 -9.475 2.404 1.00 0.00 C ATOM 864 C GLY A 51 -0.022 -8.887 1.743 1.00 0.00 C ATOM 865 O GLY A 51 0.034 -8.455 0.595 1.00 0.00 O ATOM 0 H GLY A 51 1.199 -10.447 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.719 -8.694 2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.902 -9.812 1.633 1.00 0.00 H new ATOM 869 N ARG A 52 -1.135 -8.874 2.467 1.00 0.00 N ATOM 870 CA ARG A 52 -2.383 -8.335 1.938 1.00 0.00 C ATOM 871 C ARG A 52 -3.278 -7.767 3.030 1.00 0.00 C ATOM 872 O ARG A 52 -3.580 -8.439 4.013 1.00 0.00 O ATOM 873 CB ARG A 52 -3.137 -9.412 1.173 1.00 0.00 C ATOM 874 CG ARG A 52 -2.646 -9.559 -0.246 1.00 0.00 C ATOM 875 CD ARG A 52 -2.159 -10.970 -0.525 1.00 0.00 C ATOM 876 NE ARG A 52 -3.199 -11.799 -1.131 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.199 -13.130 -1.104 1.00 0.00 C ATOM 878 NH1 ARG A 52 -2.214 -13.790 -0.506 1.00 0.00 N ATOM 879 NH2 ARG A 52 -4.186 -13.805 -1.679 1.00 0.00 N ATOM 0 H ARG A 52 -1.199 -9.230 3.421 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.118 -7.517 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.031 -10.365 1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.200 -9.171 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.450 -9.307 -0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.837 -8.852 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.295 -10.931 -1.188 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.826 -11.429 0.406 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.972 -11.329 -1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.451 -13.277 -0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.220 -14.810 -0.489 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.945 -13.304 -2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.186 -14.825 -1.658 1.00 0.00 H new ATOM 893 N SER A 53 -3.721 -6.535 2.825 1.00 0.00 N ATOM 894 CA SER A 53 -4.618 -5.872 3.772 1.00 0.00 C ATOM 895 C SER A 53 -5.626 -4.991 3.038 1.00 0.00 C ATOM 896 O SER A 53 -5.436 -4.648 1.868 1.00 0.00 O ATOM 897 CB SER A 53 -3.839 -5.040 4.791 1.00 0.00 C ATOM 898 OG SER A 53 -3.595 -3.730 4.307 1.00 0.00 O ATOM 0 H SER A 53 -3.476 -5.970 2.012 1.00 0.00 H new ATOM 0 HA SER A 53 -5.157 -6.651 4.310 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.399 -4.987 5.725 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.891 -5.530 5.015 1.00 0.00 H new ATOM 0 HG SER A 53 -2.965 -3.273 4.903 1.00 0.00 H new ATOM 904 N GLU A 54 -6.687 -4.618 3.741 1.00 0.00 N ATOM 905 CA GLU A 54 -7.726 -3.767 3.176 1.00 0.00 C ATOM 906 C GLU A 54 -8.023 -2.606 4.117 1.00 0.00 C ATOM 907 O GLU A 54 -8.716 -2.774 5.121 1.00 0.00 O ATOM 908 CB GLU A 54 -8.999 -4.576 2.918 1.00 0.00 C ATOM 909 CG GLU A 54 -9.648 -4.275 1.577 1.00 0.00 C ATOM 910 CD GLU A 54 -11.132 -4.590 1.563 1.00 0.00 C ATOM 911 OE1 GLU A 54 -11.491 -5.742 1.240 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.934 -3.685 1.874 1.00 0.00 O ATOM 0 H GLU A 54 -6.851 -4.893 4.709 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.370 -3.369 2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.761 -5.639 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.716 -4.373 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.502 -3.222 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.150 -4.853 0.799 1.00 0.00 H new ATOM 919 N ILE A 55 -7.490 -1.432 3.798 1.00 0.00 N ATOM 920 CA ILE A 55 -7.698 -0.255 4.634 1.00 0.00 C ATOM 921 C ILE A 55 -8.457 0.836 3.894 1.00 0.00 C ATOM 922 O ILE A 55 -8.383 0.946 2.670 1.00 0.00 O ATOM 923 CB ILE A 55 -6.366 0.335 5.144 1.00 0.00 C ATOM 924 CG1 ILE A 55 -5.248 0.134 4.113 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.989 -0.276 6.487 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.681 -1.270 4.085 1.00 0.00 C ATOM 0 H ILE A 55 -6.914 -1.270 2.972 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.289 -0.596 5.484 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.499 1.408 5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.632 0.379 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.442 0.836 4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.047 0.152 6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.771 -0.064 7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.878 -1.355 6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.896 -1.331 3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.264 -1.514 5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.474 -1.978 3.842 1.00 0.00 H new ATOM 938 N ALA A 56 -9.177 1.649 4.656 1.00 0.00 N ATOM 939 CA ALA A 56 -9.944 2.751 4.100 1.00 0.00 C ATOM 940 C ALA A 56 -9.164 4.053 4.208 1.00 0.00 C ATOM 941 O ALA A 56 -8.300 4.200 5.073 1.00 0.00 O ATOM 942 CB ALA A 56 -11.284 2.873 4.807 1.00 0.00 C ATOM 0 H ALA A 56 -9.244 1.563 5.670 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.126 2.547 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.847 3.703 4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.848 1.949 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.120 3.055 5.869 1.00 0.00 H new ATOM 948 N PHE A 57 -9.463 4.990 3.322 1.00 0.00 N ATOM 949 CA PHE A 57 -8.780 6.275 3.312 1.00 0.00 C ATOM 950 C PHE A 57 -9.721 7.352 3.858 1.00 0.00 C ATOM 951 O PHE A 57 -10.831 7.521 3.354 1.00 0.00 O ATOM 952 CB PHE A 57 -8.368 6.594 1.872 1.00 0.00 C ATOM 953 CG PHE A 57 -7.095 7.378 1.729 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.869 6.759 1.913 1.00 0.00 C ATOM 955 CD2 PHE A 57 -7.119 8.716 1.377 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.690 7.460 1.751 1.00 0.00 C ATOM 957 CE2 PHE A 57 -5.942 9.424 1.219 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.726 8.794 1.404 1.00 0.00 C ATOM 0 H PHE A 57 -10.175 4.885 2.599 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.891 6.244 3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.262 5.657 1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.174 7.151 1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.835 5.715 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.066 9.212 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.742 6.964 1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.973 10.470 0.951 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.806 9.345 1.277 1.00 0.00 H new ATOM 968 N VAL A 58 -9.296 8.061 4.904 1.00 0.00 N ATOM 969 CA VAL A 58 -10.138 9.090 5.517 1.00 0.00 C ATOM 970 C VAL A 58 -10.173 10.383 4.703 1.00 0.00 C ATOM 971 O VAL A 58 -11.131 11.151 4.797 1.00 0.00 O ATOM 972 CB VAL A 58 -9.676 9.414 6.951 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.662 10.354 7.630 1.00 0.00 C ATOM 974 CG2 VAL A 58 -9.506 8.136 7.758 1.00 0.00 C ATOM 0 H VAL A 58 -8.382 7.944 5.342 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.145 8.672 5.542 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.709 9.915 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.319 10.572 8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.730 11.282 7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.644 9.882 7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.179 8.384 8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.457 7.606 7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.759 7.501 7.281 1.00 0.00 H new ATOM 984 N ALA A 59 -9.130 10.633 3.921 1.00 0.00 N ATOM 985 CA ALA A 59 -9.059 11.850 3.114 1.00 0.00 C ATOM 986 C ALA A 59 -10.323 12.061 2.285 1.00 0.00 C ATOM 987 O ALA A 59 -10.968 13.107 2.376 1.00 0.00 O ATOM 988 CB ALA A 59 -7.838 11.813 2.210 1.00 0.00 C ATOM 0 H ALA A 59 -8.324 10.014 3.827 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.973 12.692 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.798 12.725 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.937 11.737 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.902 10.950 1.547 1.00 0.00 H new ATOM 994 N THR A 60 -10.670 11.069 1.470 1.00 0.00 N ATOM 995 CA THR A 60 -11.854 11.159 0.618 1.00 0.00 C ATOM 996 C THR A 60 -12.757 9.936 0.777 1.00 0.00 C ATOM 997 O THR A 60 -13.631 9.692 -0.054 1.00 0.00 O ATOM 998 CB THR A 60 -11.440 11.308 -0.847 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.784 10.137 -1.303 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.511 12.479 -1.093 1.00 0.00 C ATOM 0 H THR A 60 -10.151 10.196 1.381 1.00 0.00 H new ATOM 0 HA THR A 60 -12.418 12.038 0.929 1.00 0.00 H new ATOM 0 HB THR A 60 -12.368 11.481 -1.393 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.528 10.250 -2.242 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.257 12.526 -2.152 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.005 13.404 -0.797 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.601 12.351 -0.507 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.546 9.173 1.846 1.00 0.00 N ATOM 1009 CA GLY A 61 -13.356 7.992 2.081 1.00 0.00 C ATOM 1010 C GLY A 61 -13.267 6.985 0.950 1.00 0.00 C ATOM 1011 O GLY A 61 -14.286 6.483 0.476 1.00 0.00 O ATOM 0 H GLY A 61 -11.831 9.351 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.038 7.518 3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.396 8.291 2.215 1.00 0.00 H new ATOM 1015 N THR A 62 -12.045 6.687 0.518 1.00 0.00 N ATOM 1016 CA THR A 62 -11.825 5.731 -0.562 1.00 0.00 C ATOM 1017 C THR A 62 -11.251 4.423 -0.023 1.00 0.00 C ATOM 1018 O THR A 62 -10.291 4.430 0.749 1.00 0.00 O ATOM 1019 CB THR A 62 -10.881 6.322 -1.613 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.501 5.336 -2.556 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.615 6.905 -1.023 1.00 0.00 C ATOM 0 H THR A 62 -11.191 7.094 0.900 1.00 0.00 H new ATOM 0 HA THR A 62 -12.788 5.520 -1.028 1.00 0.00 H new ATOM 0 HB THR A 62 -11.444 7.126 -2.086 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.900 5.733 -3.220 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.992 7.306 -1.823 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.872 7.704 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.068 6.125 -0.493 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.837 3.302 -0.435 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.372 1.991 0.007 1.00 0.00 C ATOM 1031 C ASN A 63 -10.142 1.573 -0.789 1.00 0.00 C ATOM 1032 O ASN A 63 -10.026 1.886 -1.974 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.481 0.948 -0.155 1.00 0.00 C ATOM 1034 CG ASN A 63 -12.164 -0.351 0.563 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.523 -1.242 0.005 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -12.614 -0.465 1.807 1.00 0.00 N ATOM 0 H ASN A 63 -12.633 3.275 -1.073 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.105 2.056 1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.416 1.354 0.230 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.634 0.746 -1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.432 -1.316 2.339 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.141 0.299 2.231 1.00 0.00 H new ATOM 1043 N LEU A 64 -9.216 0.879 -0.134 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.993 0.448 -0.800 1.00 0.00 C ATOM 1045 C LEU A 64 -7.560 -0.950 -0.365 1.00 0.00 C ATOM 1046 O LEU A 64 -7.297 -1.196 0.813 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.864 1.440 -0.517 1.00 0.00 C ATOM 1048 CG LEU A 64 -7.127 2.874 -0.981 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.399 3.865 -0.087 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -6.702 3.050 -2.432 1.00 0.00 C ATOM 0 H LEU A 64 -9.288 0.606 0.846 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.204 0.415 -1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.672 1.451 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.955 1.080 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.197 3.069 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.597 4.880 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.750 3.755 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.327 3.671 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.896 4.076 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.637 2.836 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.268 2.364 -3.063 1.00 0.00 H new ATOM 1062 N SER A 65 -7.453 -1.846 -1.339 1.00 0.00 N ATOM 1063 CA SER A 65 -7.008 -3.212 -1.095 1.00 0.00 C ATOM 1064 C SER A 65 -5.651 -3.401 -1.761 1.00 0.00 C ATOM 1065 O SER A 65 -5.543 -3.328 -2.985 1.00 0.00 O ATOM 1066 CB SER A 65 -8.020 -4.218 -1.649 1.00 0.00 C ATOM 1067 OG SER A 65 -9.339 -3.885 -1.252 1.00 0.00 O ATOM 0 H SER A 65 -7.671 -1.647 -2.315 1.00 0.00 H new ATOM 0 HA SER A 65 -6.924 -3.385 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.959 -4.239 -2.737 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.773 -5.219 -1.297 1.00 0.00 H new ATOM 0 HG SER A 65 -9.967 -4.541 -1.620 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.609 -3.588 -0.960 1.00 0.00 N ATOM 1074 CA LEU A 66 -3.264 -3.717 -1.509 1.00 0.00 C ATOM 1075 C LEU A 66 -2.575 -5.022 -1.137 1.00 0.00 C ATOM 1076 O LEU A 66 -2.816 -5.596 -0.075 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.401 -2.549 -1.041 1.00 0.00 C ATOM 1078 CG LEU A 66 -3.054 -1.175 -1.163 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.617 -0.727 0.177 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.048 -0.165 -1.685 1.00 0.00 C ATOM 0 H LEU A 66 -4.666 -3.653 0.056 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.376 -3.713 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.128 -2.713 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.475 -2.547 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.880 -1.243 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.078 0.255 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.365 -1.444 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.812 -0.670 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.523 0.812 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.206 -0.101 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.691 -0.480 -2.666 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.680 -5.449 -2.023 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.890 -6.653 -1.817 1.00 0.00 C ATOM 1094 C GLN A 67 0.580 -6.266 -1.717 1.00 0.00 C ATOM 1095 O GLN A 67 1.214 -5.930 -2.717 1.00 0.00 O ATOM 1096 CB GLN A 67 -1.102 -7.642 -2.965 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.563 -7.876 -3.309 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.786 -8.077 -4.795 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -2.206 -7.375 -5.622 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -3.633 -9.041 -5.142 1.00 0.00 N ATOM 0 H GLN A 67 -1.484 -4.969 -2.902 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.206 -7.139 -0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.584 -7.273 -3.850 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.643 -8.595 -2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.924 -8.752 -2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.154 -7.026 -2.968 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.092 -9.600 -4.423 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.823 -9.222 -6.128 1.00 0.00 H new ATOM 1109 N PHE A 68 1.108 -6.285 -0.500 1.00 0.00 N ATOM 1110 CA PHE A 68 2.497 -5.903 -0.261 1.00 0.00 C ATOM 1111 C PHE A 68 3.400 -7.092 0.037 1.00 0.00 C ATOM 1112 O PHE A 68 3.170 -7.866 0.966 1.00 0.00 O ATOM 1113 CB PHE A 68 2.593 -4.870 0.865 1.00 0.00 C ATOM 1114 CG PHE A 68 1.377 -4.805 1.738 1.00 0.00 C ATOM 1115 CD1 PHE A 68 0.974 -5.891 2.503 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.630 -3.642 1.784 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.150 -5.810 3.295 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.493 -3.558 2.572 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.884 -4.642 3.329 1.00 0.00 C ATOM 0 H PHE A 68 0.597 -6.561 0.338 1.00 0.00 H new ATOM 0 HA PHE A 68 2.854 -5.458 -1.190 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.460 -5.102 1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.767 -3.887 0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.546 -6.807 2.477 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.933 -2.790 1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.456 -6.659 3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.068 -2.644 2.598 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.766 -4.577 3.949 1.00 0.00 H new ATOM 1129 N PHE A 69 4.445 -7.194 -0.771 1.00 0.00 N ATOM 1130 CA PHE A 69 5.449 -8.243 -0.649 1.00 0.00 C ATOM 1131 C PHE A 69 6.735 -7.814 -1.349 1.00 0.00 C ATOM 1132 O PHE A 69 6.700 -6.998 -2.270 1.00 0.00 O ATOM 1133 CB PHE A 69 4.946 -9.556 -1.251 1.00 0.00 C ATOM 1134 CG PHE A 69 4.232 -10.447 -0.274 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.674 -10.570 1.038 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.118 -11.169 -0.671 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.017 -11.398 1.926 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.459 -11.996 0.217 1.00 0.00 C ATOM 1139 CZ PHE A 69 2.910 -12.111 1.515 1.00 0.00 C ATOM 0 H PHE A 69 4.622 -6.545 -1.538 1.00 0.00 H new ATOM 0 HA PHE A 69 5.647 -8.404 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.273 -9.329 -2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.793 -10.099 -1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.539 -10.013 1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.761 -11.084 -1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.370 -11.488 2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.591 -12.552 -0.105 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.397 -12.759 2.210 1.00 0.00 H new ATOM 1149 N PRO A 70 7.888 -8.360 -0.937 1.00 0.00 N ATOM 1150 CA PRO A 70 9.175 -8.020 -1.552 1.00 0.00 C ATOM 1151 C PRO A 70 9.129 -8.128 -3.074 1.00 0.00 C ATOM 1152 O PRO A 70 8.906 -9.206 -3.624 1.00 0.00 O ATOM 1153 CB PRO A 70 10.132 -9.057 -0.966 1.00 0.00 C ATOM 1154 CG PRO A 70 9.523 -9.440 0.338 1.00 0.00 C ATOM 1155 CD PRO A 70 8.033 -9.352 0.145 1.00 0.00 C ATOM 0 HA PRO A 70 9.470 -6.991 -1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.233 -9.920 -1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.131 -8.642 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.820 -10.449 0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.853 -8.772 1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.606 -10.316 -0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.528 -9.030 1.056 1.00 0.00 H new ATOM 1163 N ALA A 71 9.334 -7.000 -3.747 1.00 0.00 N ATOM 1164 CA ALA A 71 9.309 -6.961 -5.205 1.00 0.00 C ATOM 1165 C ALA A 71 10.305 -7.946 -5.815 1.00 0.00 C ATOM 1166 O ALA A 71 10.166 -8.341 -6.972 1.00 0.00 O ATOM 1167 CB ALA A 71 9.596 -5.551 -5.697 1.00 0.00 C ATOM 0 H ALA A 71 9.520 -6.100 -3.305 1.00 0.00 H new ATOM 0 HA ALA A 71 8.311 -7.259 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.575 -5.534 -6.787 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.839 -4.869 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.580 -5.237 -5.349 1.00 0.00 H new ATOM 1173 N SER A 72 11.310 -8.334 -5.036 1.00 0.00 N ATOM 1174 CA SER A 72 12.325 -9.268 -5.513 1.00 0.00 C ATOM 1175 C SER A 72 11.992 -10.702 -5.112 1.00 0.00 C ATOM 1176 O SER A 72 12.887 -11.498 -4.826 1.00 0.00 O ATOM 1177 CB SER A 72 13.699 -8.880 -4.963 1.00 0.00 C ATOM 1178 OG SER A 72 13.765 -7.492 -4.686 1.00 0.00 O ATOM 0 H SER A 72 11.443 -8.018 -4.075 1.00 0.00 H new ATOM 0 HA SER A 72 12.343 -9.215 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.903 -9.445 -4.054 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.471 -9.147 -5.684 1.00 0.00 H new ATOM 0 HG SER A 72 14.652 -7.270 -4.334 1.00 0.00 H new ATOM 1319 N PRO A 81 7.517 -13.060 5.473 1.00 0.00 N ATOM 1320 CA PRO A 81 7.447 -11.736 4.854 1.00 0.00 C ATOM 1321 C PRO A 81 8.524 -10.789 5.370 1.00 0.00 C ATOM 1322 O PRO A 81 9.169 -11.058 6.384 1.00 0.00 O ATOM 1323 CB PRO A 81 6.051 -11.217 5.246 1.00 0.00 C ATOM 1324 CG PRO A 81 5.464 -12.256 6.151 1.00 0.00 C ATOM 1325 CD PRO A 81 6.183 -13.538 5.841 1.00 0.00 C ATOM 0 HA PRO A 81 7.608 -11.793 3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.120 -10.254 5.751 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.427 -11.070 4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.595 -11.980 7.197 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.392 -12.360 5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 81 6.213 -14.207 6.701 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.707 -14.086 5.027 1.00 0.00 H new ATOM 1333 N SER A 82 8.708 -9.679 4.667 1.00 0.00 N ATOM 1334 CA SER A 82 9.702 -8.686 5.054 1.00 0.00 C ATOM 1335 C SER A 82 9.024 -7.422 5.570 1.00 0.00 C ATOM 1336 O SER A 82 7.922 -7.082 5.142 1.00 0.00 O ATOM 1337 CB SER A 82 10.605 -8.345 3.867 1.00 0.00 C ATOM 1338 OG SER A 82 11.614 -7.423 4.241 1.00 0.00 O ATOM 0 H SER A 82 8.182 -9.443 3.826 1.00 0.00 H new ATOM 0 HA SER A 82 10.312 -9.107 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.065 -9.256 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.006 -7.925 3.059 1.00 0.00 H new ATOM 0 HG SER A 82 12.072 -7.095 3.439 1.00 0.00 H new ATOM 1344 N ARG A 83 9.692 -6.722 6.482 1.00 0.00 N ATOM 1345 CA ARG A 83 9.141 -5.489 7.038 1.00 0.00 C ATOM 1346 C ARG A 83 9.209 -4.359 6.010 1.00 0.00 C ATOM 1347 O ARG A 83 8.624 -3.294 6.207 1.00 0.00 O ATOM 1348 CB ARG A 83 9.866 -5.078 8.329 1.00 0.00 C ATOM 1349 CG ARG A 83 10.344 -6.244 9.188 1.00 0.00 C ATOM 1350 CD ARG A 83 9.223 -6.795 10.053 1.00 0.00 C ATOM 1351 NE ARG A 83 8.651 -8.020 9.498 1.00 0.00 N ATOM 1352 CZ ARG A 83 9.209 -9.223 9.625 1.00 0.00 C ATOM 1353 NH1 ARG A 83 10.353 -9.366 10.284 1.00 0.00 N ATOM 1354 NH2 ARG A 83 8.622 -10.285 9.091 1.00 0.00 N ATOM 0 H ARG A 83 10.607 -6.983 6.849 1.00 0.00 H new ATOM 0 HA ARG A 83 8.097 -5.679 7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.725 -4.461 8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.197 -4.456 8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.732 -7.035 8.546 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.167 -5.916 9.823 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.604 -6.995 11.055 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.440 -6.043 10.153 1.00 0.00 H new ATOM 0 HE ARG A 83 7.773 -7.950 8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.809 -8.552 10.696 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.775 -10.290 10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.744 -10.181 8.583 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.049 -11.206 9.188 1.00 0.00 H new ATOM 1368 N GLU A 84 9.916 -4.604 4.907 1.00 0.00 N ATOM 1369 CA GLU A 84 10.048 -3.618 3.841 1.00 0.00 C ATOM 1370 C GLU A 84 8.690 -3.289 3.247 1.00 0.00 C ATOM 1371 O GLU A 84 8.361 -2.124 3.026 1.00 0.00 O ATOM 1372 CB GLU A 84 10.981 -4.140 2.747 1.00 0.00 C ATOM 1373 CG GLU A 84 12.455 -3.956 3.064 1.00 0.00 C ATOM 1374 CD GLU A 84 13.351 -4.808 2.185 1.00 0.00 C ATOM 1375 OE1 GLU A 84 13.311 -6.048 2.323 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.089 -4.233 1.357 1.00 0.00 O ATOM 0 H GLU A 84 10.407 -5.481 4.731 1.00 0.00 H new ATOM 0 HA GLU A 84 10.474 -2.709 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.782 -5.200 2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.753 -3.628 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.722 -2.906 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.632 -4.208 4.110 1.00 0.00 H new ATOM 1383 N TYR A 85 7.907 -4.326 2.980 1.00 0.00 N ATOM 1384 CA TYR A 85 6.586 -4.150 2.400 1.00 0.00 C ATOM 1385 C TYR A 85 5.497 -4.464 3.420 1.00 0.00 C ATOM 1386 O TYR A 85 4.365 -4.003 3.288 1.00 0.00 O ATOM 1387 CB TYR A 85 6.440 -5.019 1.155 1.00 0.00 C ATOM 1388 CG TYR A 85 7.196 -4.474 -0.039 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.482 -3.954 0.099 1.00 0.00 C ATOM 1390 CD2 TYR A 85 6.624 -4.477 -1.304 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.169 -3.456 -0.992 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.307 -3.981 -2.398 1.00 0.00 C ATOM 1393 CZ TYR A 85 8.577 -3.472 -2.237 1.00 0.00 C ATOM 1394 OH TYR A 85 9.260 -2.978 -3.325 1.00 0.00 O ATOM 0 H TYR A 85 8.165 -5.297 3.156 1.00 0.00 H new ATOM 0 HA TYR A 85 6.471 -3.106 2.107 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.798 -6.025 1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.384 -5.105 0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.948 -3.940 1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.628 -4.874 -1.435 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.165 -3.056 -0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.847 -3.992 -3.375 1.00 0.00 H new ATOM 0 HH TYR A 85 10.223 -3.104 -3.192 1.00 0.00 H new ATOM 1404 N VAL A 86 5.853 -5.223 4.452 1.00 0.00 N ATOM 1405 CA VAL A 86 4.920 -5.566 5.515 1.00 0.00 C ATOM 1406 C VAL A 86 5.661 -5.750 6.828 1.00 0.00 C ATOM 1407 O VAL A 86 6.385 -6.726 7.021 1.00 0.00 O ATOM 1408 CB VAL A 86 4.107 -6.839 5.228 1.00 0.00 C ATOM 1409 CG1 VAL A 86 2.670 -6.488 4.876 1.00 0.00 C ATOM 1410 CG2 VAL A 86 4.746 -7.675 4.130 1.00 0.00 C ATOM 0 H VAL A 86 6.788 -5.613 4.573 1.00 0.00 H new ATOM 0 HA VAL A 86 4.219 -4.733 5.576 1.00 0.00 H new ATOM 0 HB VAL A 86 4.102 -7.442 6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.111 -7.402 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.211 -5.956 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.657 -5.854 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.144 -8.566 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.803 -7.089 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.750 -7.970 4.435 1.00 0.00 H new ATOM 1420 N ASP A 87 5.467 -4.799 7.723 1.00 0.00 N ATOM 1421 CA ASP A 87 6.109 -4.819 9.028 1.00 0.00 C ATOM 1422 C ASP A 87 5.196 -5.432 10.078 1.00 0.00 C ATOM 1423 O ASP A 87 3.974 -5.306 10.005 1.00 0.00 O ATOM 1424 CB ASP A 87 6.502 -3.400 9.444 1.00 0.00 C ATOM 1425 CG ASP A 87 7.209 -3.363 10.786 1.00 0.00 C ATOM 1426 OD1 ASP A 87 8.307 -3.948 10.895 1.00 0.00 O ATOM 1427 OD2 ASP A 87 6.663 -2.750 11.727 1.00 0.00 O ATOM 0 H ASP A 87 4.862 -3.992 7.568 1.00 0.00 H new ATOM 0 HA ASP A 87 7.006 -5.434 8.953 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.152 -2.968 8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.608 -2.778 9.490 1.00 0.00 H new ATOM 1515 N GLY A 93 4.608 1.540 17.553 1.00 0.00 N ATOM 1516 CA GLY A 93 3.367 1.134 18.190 1.00 0.00 C ATOM 1517 C GLY A 93 2.347 0.610 17.194 1.00 0.00 C ATOM 1518 O GLY A 93 1.347 0.006 17.580 1.00 0.00 O ATOM 0 HA2 GLY A 93 3.578 0.362 18.930 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.943 1.983 18.727 1.00 0.00 H new ATOM 1522 N LYS A 94 2.602 0.844 15.909 1.00 0.00 N ATOM 1523 CA LYS A 94 1.707 0.396 14.849 1.00 0.00 C ATOM 1524 C LYS A 94 2.493 -0.382 13.795 1.00 0.00 C ATOM 1525 O LYS A 94 3.713 -0.507 13.892 1.00 0.00 O ATOM 1526 CB LYS A 94 1.001 1.594 14.197 1.00 0.00 C ATOM 1527 CG LYS A 94 1.004 2.853 15.053 1.00 0.00 C ATOM 1528 CD LYS A 94 2.168 3.764 14.702 1.00 0.00 C ATOM 1529 CE LYS A 94 2.731 4.449 15.938 1.00 0.00 C ATOM 1530 NZ LYS A 94 3.509 5.670 15.590 1.00 0.00 N ATOM 0 H LYS A 94 3.426 1.344 15.577 1.00 0.00 H new ATOM 0 HA LYS A 94 0.952 -0.257 15.286 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.483 1.813 13.244 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.030 1.319 13.976 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.066 3.390 14.914 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.061 2.578 16.106 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.953 3.183 14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.839 4.517 13.985 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.914 4.718 16.608 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.371 3.752 16.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.876 6.108 16.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.304 5.411 14.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.892 6.346 15.096 1.00 0.00 H new ATOM 1544 N VAL A 95 1.793 -0.904 12.793 1.00 0.00 N ATOM 1545 CA VAL A 95 2.442 -1.668 11.729 1.00 0.00 C ATOM 1546 C VAL A 95 2.214 -1.012 10.366 1.00 0.00 C ATOM 1547 O VAL A 95 1.076 -0.765 9.969 1.00 0.00 O ATOM 1548 CB VAL A 95 1.951 -3.146 11.697 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.787 -3.357 12.656 1.00 0.00 C ATOM 1550 CG2 VAL A 95 1.563 -3.579 10.287 1.00 0.00 C ATOM 0 H VAL A 95 0.782 -0.814 12.694 1.00 0.00 H new ATOM 0 HA VAL A 95 3.510 -1.671 11.945 1.00 0.00 H new ATOM 0 HB VAL A 95 2.784 -3.769 12.022 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.464 -4.397 12.613 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.104 -3.117 13.671 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.041 -2.708 12.371 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.226 -4.615 10.305 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.759 -2.942 9.919 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.427 -3.490 9.628 1.00 0.00 H new ATOM 1560 N TYR A 96 3.306 -0.748 9.648 1.00 0.00 N ATOM 1561 CA TYR A 96 3.222 -0.136 8.322 1.00 0.00 C ATOM 1562 C TYR A 96 3.683 -1.086 7.229 1.00 0.00 C ATOM 1563 O TYR A 96 4.520 -1.960 7.453 1.00 0.00 O ATOM 1564 CB TYR A 96 4.015 1.177 8.236 1.00 0.00 C ATOM 1565 CG TYR A 96 5.056 1.376 9.316 1.00 0.00 C ATOM 1566 CD1 TYR A 96 5.998 0.399 9.612 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.093 2.560 10.038 1.00 0.00 C ATOM 1568 CE1 TYR A 96 6.945 0.600 10.600 1.00 0.00 C ATOM 1569 CE2 TYR A 96 6.032 2.771 11.022 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.958 1.788 11.302 1.00 0.00 C ATOM 1571 OH TYR A 96 7.899 1.993 12.285 1.00 0.00 O ATOM 0 H TYR A 96 4.256 -0.948 9.961 1.00 0.00 H new ATOM 0 HA TYR A 96 2.168 0.091 8.164 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.509 1.221 7.266 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.313 2.010 8.274 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.991 -0.531 9.063 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.370 3.333 9.823 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.671 -0.169 10.821 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.044 3.701 11.572 1.00 0.00 H new ATOM 0 HH TYR A 96 7.771 2.880 12.681 1.00 0.00 H new ATOM 1581 N LEU A 97 3.123 -0.898 6.039 1.00 0.00 N ATOM 1582 CA LEU A 97 3.461 -1.723 4.890 1.00 0.00 C ATOM 1583 C LEU A 97 3.553 -0.878 3.625 1.00 0.00 C ATOM 1584 O LEU A 97 2.923 0.181 3.517 1.00 0.00 O ATOM 1585 CB LEU A 97 2.434 -2.852 4.694 1.00 0.00 C ATOM 1586 CG LEU A 97 1.015 -2.570 5.208 1.00 0.00 C ATOM 1587 CD1 LEU A 97 0.992 -2.429 6.724 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.445 -1.330 4.548 1.00 0.00 C ATOM 0 H LEU A 97 2.429 -0.176 5.847 1.00 0.00 H new ATOM 0 HA LEU A 97 4.435 -2.173 5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.374 -3.081 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.808 -3.747 5.192 1.00 0.00 H new ATOM 0 HG LEU A 97 0.390 -3.423 4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.027 -2.230 7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.348 -3.352 7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.638 -1.604 7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.561 -1.147 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.079 -0.473 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.406 -1.477 3.469 1.00 0.00 H new ATOM 1600 N LYS A 98 4.340 -1.367 2.671 1.00 0.00 N ATOM 1601 CA LYS A 98 4.532 -0.697 1.393 1.00 0.00 C ATOM 1602 C LYS A 98 4.110 -1.628 0.264 1.00 0.00 C ATOM 1603 O LYS A 98 4.597 -2.754 0.169 1.00 0.00 O ATOM 1604 CB LYS A 98 6.002 -0.299 1.221 1.00 0.00 C ATOM 1605 CG LYS A 98 6.230 1.201 1.156 1.00 0.00 C ATOM 1606 CD LYS A 98 7.664 1.531 0.776 1.00 0.00 C ATOM 1607 CE LYS A 98 8.630 1.175 1.894 1.00 0.00 C ATOM 1608 NZ LYS A 98 8.501 2.099 3.054 1.00 0.00 N ATOM 0 H LYS A 98 4.861 -2.239 2.764 1.00 0.00 H new ATOM 0 HA LYS A 98 3.921 0.205 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.579 -0.709 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.387 -0.755 0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.549 1.642 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.997 1.648 2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.936 0.988 -0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.746 2.593 0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.445 0.152 2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.652 1.208 1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.302 1.956 3.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.500 3.083 2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.611 1.905 3.555 1.00 0.00 H new ATOM 1622 N ALA A 99 3.195 -1.169 -0.583 1.00 0.00 N ATOM 1623 CA ALA A 99 2.715 -1.993 -1.684 1.00 0.00 C ATOM 1624 C ALA A 99 2.786 -1.260 -3.021 1.00 0.00 C ATOM 1625 O ALA A 99 2.382 -0.100 -3.126 1.00 0.00 O ATOM 1626 CB ALA A 99 1.289 -2.446 -1.413 1.00 0.00 C ATOM 0 H ALA A 99 2.775 -0.241 -0.529 1.00 0.00 H new ATOM 0 HA ALA A 99 3.368 -2.863 -1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.939 -3.061 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.261 -3.028 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.643 -1.574 -1.311 1.00 0.00 H new ATOM 1632 N PRO A 100 3.292 -1.935 -4.071 1.00 0.00 N ATOM 1633 CA PRO A 100 3.402 -1.360 -5.403 1.00 0.00 C ATOM 1634 C PRO A 100 2.161 -1.652 -6.240 1.00 0.00 C ATOM 1635 O PRO A 100 1.855 -2.808 -6.532 1.00 0.00 O ATOM 1636 CB PRO A 100 4.622 -2.084 -5.970 1.00 0.00 C ATOM 1637 CG PRO A 100 4.636 -3.426 -5.300 1.00 0.00 C ATOM 1638 CD PRO A 100 3.791 -3.320 -4.048 1.00 0.00 C ATOM 0 HA PRO A 100 3.495 -0.274 -5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.550 -2.186 -7.053 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.538 -1.532 -5.762 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.239 -4.191 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.656 -3.719 -5.050 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.972 -4.039 -4.057 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.379 -3.518 -3.152 1.00 0.00 H new ATOM 1646 N MET A 101 1.439 -0.600 -6.613 1.00 0.00 N ATOM 1647 CA MET A 101 0.223 -0.752 -7.402 1.00 0.00 C ATOM 1648 C MET A 101 0.306 0.040 -8.700 1.00 0.00 C ATOM 1649 O MET A 101 1.202 0.865 -8.882 1.00 0.00 O ATOM 1650 CB MET A 101 -0.993 -0.283 -6.596 1.00 0.00 C ATOM 1651 CG MET A 101 -1.650 -1.383 -5.777 1.00 0.00 C ATOM 1652 SD MET A 101 -3.451 -1.339 -5.867 1.00 0.00 S ATOM 1653 CE MET A 101 -3.805 0.201 -5.018 1.00 0.00 C ATOM 0 H MET A 101 1.675 0.365 -6.382 1.00 0.00 H new ATOM 0 HA MET A 101 0.115 -1.809 -7.646 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.685 0.520 -5.927 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.730 0.137 -7.280 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.297 -2.352 -6.129 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.340 -1.289 -4.736 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.694 0.079 -4.399 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.958 0.472 -4.387 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.978 0.989 -5.751 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.645 -0.205 -9.593 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.692 0.495 -10.866 1.00 0.00 C ATOM 1665 C ILE A 102 -1.813 1.528 -10.857 1.00 0.00 C ATOM 1666 O ILE A 102 -2.992 1.183 -10.951 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.903 -0.481 -12.045 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.277 -1.453 -12.146 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -1.083 0.283 -13.352 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.523 -0.844 -12.757 1.00 0.00 C ATOM 0 H ILE A 102 -1.394 -0.884 -9.457 1.00 0.00 H new ATOM 0 HA ILE A 102 0.268 0.993 -11.002 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.811 -1.055 -11.861 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.517 -1.823 -11.149 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.024 -2.314 -12.742 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.230 -0.423 -14.169 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.953 0.935 -13.275 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.195 0.884 -13.547 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.314 -1.593 -12.794 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.302 -0.499 -13.767 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.851 -0.001 -12.150 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.437 2.795 -10.749 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.408 3.882 -10.732 1.00 0.00 C ATOM 1684 C LEU A 103 -2.373 4.631 -12.052 1.00 0.00 C ATOM 1685 O LEU A 103 -1.343 4.675 -12.700 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.133 4.839 -9.572 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.848 4.491 -8.265 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.508 5.503 -7.182 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.352 4.427 -8.486 1.00 0.00 C ATOM 0 H LEU A 103 -0.466 3.096 -10.672 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.401 3.455 -10.592 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.059 4.862 -9.386 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.426 5.845 -9.873 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.505 3.511 -7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.026 5.238 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.432 5.501 -7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.821 6.497 -7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.847 4.178 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.709 5.394 -8.840 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.578 3.663 -9.229 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.509 5.203 -12.446 1.00 0.00 N ATOM 1702 CA ASN A 104 -3.637 5.946 -13.710 1.00 0.00 C ATOM 1703 C ASN A 104 -2.352 5.950 -14.550 1.00 0.00 C ATOM 1704 O ASN A 104 -1.583 6.912 -14.528 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.038 7.389 -13.406 1.00 0.00 C ATOM 1706 CG ASN A 104 -4.589 8.106 -14.623 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -3.991 8.078 -15.698 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -5.738 8.751 -14.459 1.00 0.00 N ATOM 0 H ASN A 104 -4.371 5.168 -11.901 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.400 5.436 -14.299 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.787 7.396 -12.614 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.171 7.932 -13.030 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -6.159 9.250 -15.243 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.199 8.748 -13.549 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.146 4.866 -15.302 1.00 0.00 N ATOM 1716 CA GLY A 105 -0.975 4.739 -16.168 1.00 0.00 C ATOM 1717 C GLY A 105 0.313 5.238 -15.538 1.00 0.00 C ATOM 1718 O GLY A 105 1.025 6.047 -16.133 1.00 0.00 O ATOM 0 H GLY A 105 -2.776 4.064 -15.327 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.851 3.692 -16.444 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.155 5.292 -17.090 1.00 0.00 H new ATOM 1722 N VAL A 106 0.609 4.755 -14.338 1.00 0.00 N ATOM 1723 CA VAL A 106 1.806 5.150 -13.613 1.00 0.00 C ATOM 1724 C VAL A 106 2.102 4.154 -12.499 1.00 0.00 C ATOM 1725 O VAL A 106 1.187 3.557 -11.930 1.00 0.00 O ATOM 1726 CB VAL A 106 1.640 6.555 -12.992 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.782 6.869 -12.037 1.00 0.00 C ATOM 1728 CG2 VAL A 106 1.539 7.612 -14.078 1.00 0.00 C ATOM 0 H VAL A 106 0.026 4.080 -13.842 1.00 0.00 H new ATOM 0 HA VAL A 106 2.632 5.168 -14.325 1.00 0.00 H new ATOM 0 HB VAL A 106 0.713 6.563 -12.419 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.640 7.864 -11.614 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.798 6.132 -11.234 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.728 6.836 -12.578 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.423 8.594 -13.620 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.445 7.599 -14.684 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.677 7.402 -14.711 1.00 0.00 H new ATOM 1738 N CYS A 107 3.377 3.994 -12.173 1.00 0.00 N ATOM 1739 CA CYS A 107 3.772 3.087 -11.105 1.00 0.00 C ATOM 1740 C CYS A 107 3.695 3.814 -9.769 1.00 0.00 C ATOM 1741 O CYS A 107 4.405 4.795 -9.549 1.00 0.00 O ATOM 1742 CB CYS A 107 5.190 2.560 -11.346 1.00 0.00 C ATOM 1743 SG CYS A 107 6.455 3.849 -11.388 1.00 0.00 S ATOM 0 H CYS A 107 4.151 4.477 -12.629 1.00 0.00 H new ATOM 0 HA CYS A 107 3.092 2.235 -11.090 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.439 1.846 -10.561 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.209 2.016 -12.290 1.00 0.00 H new ATOM 0 HG CYS A 107 6.107 4.825 -10.603 1.00 0.00 H new ATOM 1749 N VAL A 108 2.813 3.353 -8.890 1.00 0.00 N ATOM 1750 CA VAL A 108 2.636 3.995 -7.596 1.00 0.00 C ATOM 1751 C VAL A 108 3.005 3.073 -6.440 1.00 0.00 C ATOM 1752 O VAL A 108 3.237 1.878 -6.625 1.00 0.00 O ATOM 1753 CB VAL A 108 1.187 4.478 -7.418 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.917 5.676 -8.317 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.210 3.350 -7.714 1.00 0.00 C ATOM 0 H VAL A 108 2.214 2.543 -9.049 1.00 0.00 H new ATOM 0 HA VAL A 108 3.312 4.850 -7.579 1.00 0.00 H new ATOM 0 HB VAL A 108 1.046 4.787 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.112 6.008 -8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.597 6.487 -8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.072 5.392 -9.358 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.811 3.709 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.346 3.011 -8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.393 2.521 -7.030 1.00 0.00 H new ATOM 1765 N ILE A 109 3.064 3.652 -5.246 1.00 0.00 N ATOM 1766 CA ILE A 109 3.413 2.915 -4.040 1.00 0.00 C ATOM 1767 C ILE A 109 2.689 3.492 -2.827 1.00 0.00 C ATOM 1768 O ILE A 109 3.011 4.588 -2.367 1.00 0.00 O ATOM 1769 CB ILE A 109 4.930 2.966 -3.773 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.719 2.784 -5.077 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.322 1.906 -2.751 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.219 2.750 -4.881 1.00 0.00 C ATOM 0 H ILE A 109 2.872 4.641 -5.088 1.00 0.00 H new ATOM 0 HA ILE A 109 3.108 1.880 -4.198 1.00 0.00 H new ATOM 0 HB ILE A 109 5.177 3.946 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.403 1.857 -5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.469 3.597 -5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.396 1.953 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.790 2.087 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.061 0.919 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.709 2.619 -5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.548 3.686 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.481 1.920 -4.225 1.00 0.00 H new ATOM 1784 N TRP A 110 1.717 2.751 -2.309 1.00 0.00 N ATOM 1785 CA TRP A 110 0.960 3.197 -1.145 1.00 0.00 C ATOM 1786 C TRP A 110 1.571 2.638 0.137 1.00 0.00 C ATOM 1787 O TRP A 110 1.649 1.424 0.322 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.507 2.773 -1.269 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.304 2.988 -0.017 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -2.034 4.093 0.321 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.451 2.068 1.067 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.621 3.915 1.549 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.277 2.679 2.028 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.960 0.786 1.318 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.624 2.049 3.220 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.304 0.163 2.499 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -2.129 0.793 3.438 1.00 0.00 C ATOM 0 H TRP A 110 1.435 1.842 -2.675 1.00 0.00 H new ATOM 0 HA TRP A 110 1.004 4.285 -1.100 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.969 3.330 -2.084 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.550 1.718 -1.540 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.134 4.978 -0.290 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.216 4.592 2.026 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.322 0.291 0.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.260 2.534 3.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.930 -0.829 2.703 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.380 0.277 4.353 1.00 0.00 H new ATOM 1808 N LYS A 111 2.005 3.534 1.017 1.00 0.00 N ATOM 1809 CA LYS A 111 2.612 3.139 2.279 1.00 0.00 C ATOM 1810 C LYS A 111 1.849 3.742 3.454 1.00 0.00 C ATOM 1811 O LYS A 111 1.410 4.891 3.393 1.00 0.00 O ATOM 1812 CB LYS A 111 4.078 3.582 2.307 1.00 0.00 C ATOM 1813 CG LYS A 111 4.722 3.507 3.680 1.00 0.00 C ATOM 1814 CD LYS A 111 4.469 4.779 4.468 1.00 0.00 C ATOM 1815 CE LYS A 111 4.225 4.486 5.939 1.00 0.00 C ATOM 1816 NZ LYS A 111 3.846 5.713 6.693 1.00 0.00 N ATOM 0 H LYS A 111 1.946 4.543 0.877 1.00 0.00 H new ATOM 0 HA LYS A 111 2.567 2.054 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.647 2.961 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.144 4.607 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.325 2.651 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.795 3.347 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 111 5.324 5.447 4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.607 5.300 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.434 3.742 6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 111 5.124 4.054 6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.688 5.472 7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.611 6.414 6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.974 6.112 6.291 1.00 0.00 H new ATOM 1830 N GLY A 112 1.692 2.965 4.520 1.00 0.00 N ATOM 1831 CA GLY A 112 0.977 3.460 5.687 1.00 0.00 C ATOM 1832 C GLY A 112 0.940 2.463 6.828 1.00 0.00 C ATOM 1833 O GLY A 112 1.128 1.264 6.618 1.00 0.00 O ATOM 0 H GLY A 112 2.042 2.010 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.449 4.380 6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.044 3.713 5.400 1.00 0.00 H new ATOM 1837 N TRP A 113 0.692 2.957 8.041 1.00 0.00 N ATOM 1838 CA TRP A 113 0.628 2.090 9.214 1.00 0.00 C ATOM 1839 C TRP A 113 -0.756 2.105 9.848 1.00 0.00 C ATOM 1840 O TRP A 113 -1.494 3.087 9.747 1.00 0.00 O ATOM 1841 CB TRP A 113 1.674 2.491 10.261 1.00 0.00 C ATOM 1842 CG TRP A 113 1.592 3.925 10.693 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.388 4.953 10.274 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.680 4.485 11.644 1.00 0.00 C ATOM 1845 NE1 TRP A 113 2.013 6.120 10.894 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.970 5.859 11.741 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.359 3.962 12.419 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.261 6.713 12.582 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.061 4.811 13.254 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.748 6.173 13.329 1.00 0.00 C ATOM 0 H TRP A 113 0.533 3.946 8.235 1.00 0.00 H new ATOM 0 HA TRP A 113 0.842 1.079 8.868 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.559 1.852 11.137 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.668 2.301 9.856 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.194 4.862 9.560 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.442 7.033 10.747 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.609 2.913 12.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.500 7.765 12.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.864 4.417 13.859 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.316 6.810 13.991 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.082 1.008 10.520 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.358 0.866 11.205 1.00 0.00 C ATOM 1863 C ILE A 114 -2.112 0.626 12.684 1.00 0.00 C ATOM 1864 O ILE A 114 -1.163 -0.067 13.050 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.201 -0.307 10.652 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.904 -0.555 9.171 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.683 -0.031 10.855 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -3.145 0.655 8.296 1.00 0.00 C ATOM 0 H ILE A 114 -0.471 0.195 10.605 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.915 1.789 11.041 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.929 -1.207 11.203 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.866 -0.869 9.065 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.524 -1.379 8.817 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.265 -0.864 10.462 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.889 0.085 11.919 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.958 0.884 10.330 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.914 0.407 7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.189 0.957 8.373 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.505 1.474 8.624 1.00 0.00 H new ATOM 1880 N ASP A 115 -2.960 1.185 13.535 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.795 1.004 14.968 1.00 0.00 C ATOM 1882 C ASP A 115 -3.471 -0.291 15.406 1.00 0.00 C ATOM 1883 O ASP A 115 -4.551 -0.637 14.928 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.340 2.217 15.733 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.801 2.082 16.102 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.663 2.373 15.246 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.081 1.684 17.250 1.00 0.00 O ATOM 0 H ASP A 115 -3.758 1.759 13.263 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.733 0.927 15.201 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.754 2.359 16.641 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.207 3.112 15.125 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.798 -1.022 16.283 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.287 -2.312 16.759 1.00 0.00 C ATOM 1894 C LEU A 116 -4.425 -2.198 17.777 1.00 0.00 C ATOM 1895 O LEU A 116 -4.783 -3.189 18.412 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.123 -3.099 17.359 1.00 0.00 C ATOM 1897 CG LEU A 116 -0.837 -3.071 16.525 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.372 -2.777 17.402 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.652 -4.382 15.774 1.00 0.00 C ATOM 0 H LEU A 116 -1.903 -0.742 16.684 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.704 -2.834 15.898 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.906 -2.702 18.351 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.432 -4.136 17.491 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.927 -2.269 15.793 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.272 -2.762 16.788 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.245 -1.807 17.883 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.465 -3.551 18.164 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.267 -4.340 15.189 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.591 -5.204 16.487 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.500 -4.542 15.108 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.002 -1.010 17.931 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.102 -0.832 18.873 1.00 0.00 C ATOM 1913 C HIS A 117 -7.388 -0.479 18.134 1.00 0.00 C ATOM 1914 O HIS A 117 -8.368 -1.224 18.164 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.765 0.265 19.885 1.00 0.00 C ATOM 1916 CG HIS A 117 -4.362 0.194 20.406 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -3.173 0.332 19.772 1.00 0.00 N flip ATOM 1918 CD2 HIS A 117 -4.061 -0.045 21.730 1.00 0.00 C flip ATOM 1919 CE1 HIS A 117 -2.188 0.175 20.715 1.00 0.00 C flip ATOM 1920 NE2 HIS A 117 -2.749 -0.050 21.889 1.00 0.00 N flip ATOM 0 H HIS A 117 -4.731 -0.167 17.424 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.250 -1.771 19.406 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.921 1.238 19.418 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.458 0.199 20.724 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -4.785 -0.204 22.515 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -1.126 0.227 20.527 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -2.254 -0.202 22.768 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.363 0.667 17.474 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.505 1.160 16.709 1.00 0.00 C ATOM 1931 C ARG A 118 -8.475 0.647 15.270 1.00 0.00 C ATOM 1932 O ARG A 118 -9.465 0.755 14.547 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.527 2.694 16.711 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.735 3.327 17.849 1.00 0.00 C ATOM 1935 CD ARG A 118 -8.398 3.074 19.193 1.00 0.00 C ATOM 1936 NE ARG A 118 -7.542 3.470 20.309 1.00 0.00 N ATOM 1937 CZ ARG A 118 -7.989 3.694 21.542 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -9.281 3.562 21.821 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -7.144 4.051 22.498 1.00 0.00 N ATOM 0 H ARG A 118 -6.552 1.285 17.451 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.410 0.785 17.188 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.129 3.053 15.762 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.562 3.032 16.771 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -6.723 2.923 17.859 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.648 4.400 17.681 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -9.337 3.625 19.243 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.644 2.016 19.282 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.544 3.581 20.133 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -9.936 3.288 21.088 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -9.619 3.735 22.768 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -6.151 4.154 22.289 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -7.486 4.223 23.443 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.330 0.104 14.857 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.161 -0.414 13.500 1.00 0.00 C ATOM 1955 C LEU A 119 -7.185 0.715 12.482 1.00 0.00 C ATOM 1956 O LEU A 119 -7.769 0.602 11.403 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.239 -1.433 13.163 1.00 0.00 C ATOM 1958 CG LEU A 119 -7.971 -2.854 13.664 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -8.996 -3.822 13.094 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -6.558 -3.290 13.298 1.00 0.00 C ATOM 0 H LEU A 119 -6.502 0.011 15.446 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.190 -0.907 13.457 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.185 -1.090 13.582 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.362 -1.464 12.080 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.061 -2.861 14.750 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.790 -4.828 13.461 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.995 -3.519 13.406 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.938 -3.814 12.006 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.384 -4.303 13.662 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.440 -3.268 12.215 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.838 -2.612 13.755 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.532 1.794 12.844 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.437 2.971 11.990 1.00 0.00 C ATOM 1974 C ASP A 120 -5.133 3.710 12.257 1.00 0.00 C ATOM 1975 O ASP A 120 -4.633 3.714 13.381 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.629 3.904 12.220 1.00 0.00 C ATOM 1977 CG ASP A 120 -7.785 4.297 13.674 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -6.756 4.555 14.334 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -8.937 4.351 14.154 1.00 0.00 O ATOM 0 H ASP A 120 -6.049 1.888 13.737 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.452 2.644 10.950 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.505 4.802 11.615 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -8.541 3.414 11.879 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.578 4.327 11.220 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.330 5.045 11.381 1.00 0.00 C ATOM 1986 C GLY A 121 -3.146 6.152 10.365 1.00 0.00 C ATOM 1987 O GLY A 121 -3.957 7.075 10.287 1.00 0.00 O ATOM 0 H GLY A 121 -4.967 4.343 10.277 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.289 5.470 12.384 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.501 4.343 11.298 1.00 0.00 H new ATOM 1991 N MET A 122 -2.069 6.064 9.591 1.00 0.00 N ATOM 1992 CA MET A 122 -1.773 7.072 8.581 1.00 0.00 C ATOM 1993 C MET A 122 -1.255 6.435 7.297 1.00 0.00 C ATOM 1994 O MET A 122 -0.336 5.615 7.324 1.00 0.00 O ATOM 1995 CB MET A 122 -0.738 8.064 9.113 1.00 0.00 C ATOM 1996 CG MET A 122 -1.220 8.867 10.309 1.00 0.00 C ATOM 1997 SD MET A 122 -0.445 10.492 10.409 1.00 0.00 S ATOM 1998 CE MET A 122 -1.875 11.528 10.704 1.00 0.00 C ATOM 0 H MET A 122 -1.388 5.306 9.644 1.00 0.00 H new ATOM 0 HA MET A 122 -2.701 7.598 8.355 1.00 0.00 H new ATOM 0 HB2 MET A 122 0.164 7.520 9.392 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.461 8.751 8.313 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.302 8.987 10.249 1.00 0.00 H new ATOM 0 HG3 MET A 122 -1.011 8.312 11.223 1.00 0.00 H new ATOM 0 HE1 MET A 122 -1.612 12.571 10.526 1.00 0.00 H new ATOM 0 HE2 MET A 122 -2.680 11.237 10.030 1.00 0.00 H new ATOM 0 HE3 MET A 122 -2.205 11.408 11.736 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.842 6.829 6.173 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.421 6.301 4.890 1.00 0.00 C ATOM 2010 C GLY A 123 -0.805 7.373 4.015 1.00 0.00 C ATOM 2011 O GLY A 123 -0.804 8.549 4.378 1.00 0.00 O ATOM 0 H GLY A 123 -2.603 7.506 6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.699 5.500 5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -2.278 5.862 4.379 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.275 6.975 2.864 1.00 0.00 N ATOM 2016 CA CYS A 124 0.345 7.929 1.953 1.00 0.00 C ATOM 2017 C CYS A 124 0.727 7.270 0.634 1.00 0.00 C ATOM 2018 O CYS A 124 1.157 6.117 0.604 1.00 0.00 O ATOM 2019 CB CYS A 124 1.586 8.545 2.604 1.00 0.00 C ATOM 2020 SG CYS A 124 2.489 9.701 1.546 1.00 0.00 S ATOM 0 H CYS A 124 -0.262 6.007 2.542 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.383 8.713 1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.284 9.064 3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 124 2.260 7.743 2.903 1.00 0.00 H new ATOM 0 HG CYS A 124 2.626 9.187 0.360 1.00 0.00 H new ATOM 2026 N LEU A 125 0.579 8.016 -0.455 1.00 0.00 N ATOM 2027 CA LEU A 125 0.922 7.508 -1.778 1.00 0.00 C ATOM 2028 C LEU A 125 2.288 8.035 -2.211 1.00 0.00 C ATOM 2029 O LEU A 125 2.730 9.088 -1.757 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.139 7.907 -2.808 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.503 7.229 -2.660 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.371 7.510 -3.879 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -1.342 5.732 -2.458 1.00 0.00 C ATOM 0 H LEU A 125 0.225 8.972 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 125 0.960 6.420 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.283 8.986 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.248 7.688 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.995 7.641 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.338 7.021 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.519 8.585 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.879 7.125 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.324 5.271 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.828 5.302 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.758 5.547 -1.556 1.00 0.00 H new ATOM 2045 N GLU A 126 2.947 7.295 -3.091 1.00 0.00 N ATOM 2046 CA GLU A 126 4.258 7.680 -3.593 1.00 0.00 C ATOM 2047 C GLU A 126 4.442 7.147 -5.005 1.00 0.00 C ATOM 2048 O GLU A 126 3.785 6.187 -5.397 1.00 0.00 O ATOM 2049 CB GLU A 126 5.360 7.146 -2.676 1.00 0.00 C ATOM 2050 CG GLU A 126 6.450 8.163 -2.377 1.00 0.00 C ATOM 2051 CD GLU A 126 6.797 8.230 -0.903 1.00 0.00 C ATOM 2052 OE1 GLU A 126 7.124 7.176 -0.321 1.00 0.00 O ATOM 2053 OE2 GLU A 126 6.741 9.339 -0.330 1.00 0.00 O ATOM 0 H GLU A 126 2.592 6.419 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 126 4.325 8.768 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.913 6.819 -1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.811 6.268 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 126 7.344 7.909 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.126 9.147 -2.715 1.00 0.00 H new ATOM 2060 N PHE A 127 5.331 7.759 -5.772 1.00 0.00 N ATOM 2061 CA PHE A 127 5.575 7.315 -7.126 1.00 0.00 C ATOM 2062 C PHE A 127 6.919 6.595 -7.193 1.00 0.00 C ATOM 2063 O PHE A 127 7.868 6.970 -6.504 1.00 0.00 O ATOM 2064 CB PHE A 127 5.521 8.517 -8.075 1.00 0.00 C ATOM 2065 CG PHE A 127 6.245 8.310 -9.364 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.621 8.316 -9.389 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.551 8.112 -10.543 1.00 0.00 C ATOM 2068 CE1 PHE A 127 8.304 8.125 -10.574 1.00 0.00 C ATOM 2069 CE2 PHE A 127 6.224 7.923 -11.731 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.606 7.929 -11.747 1.00 0.00 C ATOM 0 H PHE A 127 5.890 8.560 -5.478 1.00 0.00 H new ATOM 0 HA PHE A 127 4.805 6.609 -7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.478 8.750 -8.290 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.944 9.385 -7.569 1.00 0.00 H new ATOM 0 HD1 PHE A 127 8.172 8.472 -8.473 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.471 8.105 -10.533 1.00 0.00 H new ATOM 0 HE1 PHE A 127 9.384 8.129 -10.582 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.673 7.771 -12.647 1.00 0.00 H new ATOM 0 HZ PHE A 127 8.138 7.781 -12.675 1.00 0.00 H new ATOM 2080 N ASP A 128 6.993 5.549 -8.009 1.00 0.00 N ATOM 2081 CA ASP A 128 8.220 4.773 -8.138 1.00 0.00 C ATOM 2082 C ASP A 128 9.121 5.334 -9.234 1.00 0.00 C ATOM 2083 O ASP A 128 8.808 5.232 -10.420 1.00 0.00 O ATOM 2084 CB ASP A 128 7.887 3.308 -8.433 1.00 0.00 C ATOM 2085 CG ASP A 128 8.645 2.350 -7.535 1.00 0.00 C ATOM 2086 OD1 ASP A 128 9.691 2.754 -6.985 1.00 0.00 O ATOM 2087 OD2 ASP A 128 8.192 1.197 -7.380 1.00 0.00 O ATOM 0 H ASP A 128 6.221 5.220 -8.589 1.00 0.00 H new ATOM 0 HA ASP A 128 8.759 4.838 -7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.816 3.149 -8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 128 8.121 3.088 -9.474 1.00 0.00 H new ATOM 2092 N GLU A 129 10.244 5.920 -8.831 1.00 0.00 N ATOM 2093 CA GLU A 129 11.197 6.489 -9.780 1.00 0.00 C ATOM 2094 C GLU A 129 12.234 5.452 -10.206 1.00 0.00 C ATOM 2095 O GLU A 129 12.906 5.617 -11.224 1.00 0.00 O ATOM 2096 CB GLU A 129 11.897 7.705 -9.166 1.00 0.00 C ATOM 2097 CG GLU A 129 11.190 9.026 -9.436 1.00 0.00 C ATOM 2098 CD GLU A 129 11.971 10.220 -8.924 1.00 0.00 C ATOM 2099 OE1 GLU A 129 12.222 10.286 -7.701 1.00 0.00 O ATOM 2100 OE2 GLU A 129 12.333 11.090 -9.744 1.00 0.00 O ATOM 0 H GLU A 129 10.517 6.014 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 129 10.643 6.804 -10.664 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.976 7.560 -8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.913 7.762 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.028 9.135 -10.508 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.207 9.011 -8.965 1.00 0.00 H new