USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 795 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 56 CYS SG : rot 45:sc= 1.06 USER MOD Set 1.2: A 80 SER OG : rot 96:sc= 0.846 USER MOD Set 2.1: A 45 ASN : amide:sc= -1.7 X(o=-1.4,f=-1.5) USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0.025 USER MOD Set 2.3: A 93 ASN : amide:sc= 0.285 K(o=-1.4,f=-0.85) USER MOD Set 3.1: A 28 HIS : no HE2:sc= -3.63! C(o=-4.1!,f=-5.3!) USER MOD Set 3.2: A 30 TYR OH : rot 69:sc= -0.423 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= -0.26 K(o=-0.26,f=-2.1) USER MOD Single : A 13 ASN : amide:sc= -1.95 K(o=-1.9,f=-8.1!) USER MOD Single : A 21 LYS NZ :NH3+ -123:sc=-0.00106 (180deg=-0.712) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.053 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 23:sc= 0.173 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.11 K(o=-2.1,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -146:sc= -6.63! (180deg=-12!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.116 USER MOD Single : A 60 SER OG : rot 180:sc= -1.14 USER MOD Single : A 62 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0913) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.716 K(o=-0.72,f=-0.055) USER MOD Single : A 75 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 35:sc= 0.524 USER MOD Single : A 85 ASN : amide:sc= -0.395 X(o=-0.4,f=-0.41) USER MOD Single : A 95 ASN : amide:sc= -1.9! C(o=-1.9!,f=-3.5!) USER MOD Single : A 97 SER OG : rot -124:sc= -0.636 USER MOD Single : A 102 LYS NZ :NH3+ -110:sc= -0.127 (180deg=-0.557) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= -0.691 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 9.690 -4.107 7.087 1.00 0.00 N ATOM 67 CA PRO A 8 8.612 -5.099 7.162 1.00 0.00 C ATOM 68 C PRO A 8 8.817 -6.251 6.184 1.00 0.00 C ATOM 69 O PRO A 8 9.613 -6.153 5.250 1.00 0.00 O ATOM 70 CB PRO A 8 7.364 -4.295 6.788 1.00 0.00 C ATOM 71 CG PRO A 8 7.874 -3.168 5.957 1.00 0.00 C ATOM 72 CD PRO A 8 9.235 -2.835 6.502 1.00 0.00 C ATOM 0 HA PRO A 8 8.555 -5.567 8.145 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.652 -4.905 6.233 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.847 -3.930 7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.933 -3.453 4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.208 -2.307 6.016 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.908 -2.490 5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.186 -2.044 7.250 1.00 0.00 H new ATOM 80 N LYS A 9 8.092 -7.343 6.404 1.00 0.00 N ATOM 81 CA LYS A 9 8.192 -8.514 5.542 1.00 0.00 C ATOM 82 C LYS A 9 7.226 -8.408 4.365 1.00 0.00 C ATOM 83 O LYS A 9 7.520 -8.875 3.265 1.00 0.00 O ATOM 84 CB LYS A 9 7.901 -9.787 6.340 1.00 0.00 C ATOM 85 CG LYS A 9 8.800 -9.964 7.551 1.00 0.00 C ATOM 86 CD LYS A 9 10.111 -10.637 7.179 1.00 0.00 C ATOM 87 CE LYS A 9 11.127 -10.538 8.306 1.00 0.00 C ATOM 88 NZ LYS A 9 12.444 -11.116 7.917 1.00 0.00 N ATOM 0 H LYS A 9 7.429 -7.441 7.173 1.00 0.00 H new ATOM 0 HA LYS A 9 9.209 -8.561 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.862 -9.770 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.014 -10.651 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.004 -8.992 7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.285 -10.560 8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.929 -11.685 6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.517 -10.174 6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.258 -9.493 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.747 -11.059 9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.109 -11.030 8.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.324 -12.120 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.819 -10.602 7.094 1.00 0.00 H new ATOM 102 N ILE A 10 6.075 -7.789 4.605 1.00 0.00 N ATOM 103 CA ILE A 10 5.068 -7.620 3.564 1.00 0.00 C ATOM 104 C ILE A 10 5.267 -6.306 2.817 1.00 0.00 C ATOM 105 O ILE A 10 5.936 -5.395 3.306 1.00 0.00 O ATOM 106 CB ILE A 10 3.644 -7.655 4.148 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.633 -7.069 5.562 1.00 0.00 C ATOM 108 CG2 ILE A 10 3.109 -9.079 4.155 1.00 0.00 C ATOM 109 CD1 ILE A 10 3.977 -8.077 6.636 1.00 0.00 C ATOM 0 H ILE A 10 5.816 -7.396 5.510 1.00 0.00 H new ATOM 0 HA ILE A 10 5.187 -8.452 2.870 1.00 0.00 H new ATOM 0 HB ILE A 10 2.995 -7.047 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.342 -6.243 5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.646 -6.654 5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.101 -9.087 4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.084 -9.463 3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.758 -9.708 4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.950 -7.592 7.612 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.253 -8.892 6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.976 -8.474 6.456 1.00 0.00 H new ATOM 121 N HIS A 11 4.680 -6.213 1.628 1.00 0.00 N ATOM 122 CA HIS A 11 4.790 -5.008 0.812 1.00 0.00 C ATOM 123 C HIS A 11 3.642 -4.924 -0.190 1.00 0.00 C ATOM 124 O HIS A 11 3.207 -5.937 -0.737 1.00 0.00 O ATOM 125 CB HIS A 11 6.129 -4.987 0.075 1.00 0.00 C ATOM 126 CG HIS A 11 6.169 -5.889 -1.120 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.721 -5.506 -2.367 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.609 -7.162 -1.255 1.00 0.00 C ATOM 129 CE1 HIS A 11 5.882 -6.505 -3.216 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.420 -7.521 -2.567 1.00 0.00 N ATOM 0 H HIS A 11 4.123 -6.957 1.208 1.00 0.00 H new ATOM 0 HA HIS A 11 4.735 -4.144 1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.343 -3.967 -0.243 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.920 -5.278 0.766 1.00 0.00 H new ATOM 0 HD1 HIS A 11 5.327 -4.594 -2.598 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.030 -7.780 -0.476 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.618 -6.493 -4.263 1.00 0.00 H new ATOM 138 N PHE A 12 3.157 -3.709 -0.425 1.00 0.00 N ATOM 139 CA PHE A 12 2.059 -3.493 -1.360 1.00 0.00 C ATOM 140 C PHE A 12 2.561 -3.506 -2.801 1.00 0.00 C ATOM 141 O PHE A 12 3.695 -3.120 -3.077 1.00 0.00 O ATOM 142 CB PHE A 12 1.363 -2.163 -1.062 1.00 0.00 C ATOM 143 CG PHE A 12 0.422 -2.228 0.107 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.685 -3.061 0.077 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.644 -1.454 1.235 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.553 -3.123 1.151 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.220 -1.512 2.312 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.320 -2.347 2.270 1.00 0.00 C ATOM 0 H PHE A 12 3.507 -2.860 0.019 1.00 0.00 H new ATOM 0 HA PHE A 12 1.343 -4.306 -1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.119 -1.402 -0.868 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.810 -1.845 -1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.872 -3.669 -0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.501 -0.798 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.412 -3.777 1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.035 -0.905 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.997 -2.393 3.111 1.00 0.00 H new ATOM 158 N ASN A 13 1.706 -3.954 -3.715 1.00 0.00 N ATOM 159 CA ASN A 13 2.062 -4.020 -5.127 1.00 0.00 C ATOM 160 C ASN A 13 2.597 -2.677 -5.616 1.00 0.00 C ATOM 161 O ASN A 13 3.315 -2.608 -6.613 1.00 0.00 O ATOM 162 CB ASN A 13 0.849 -4.432 -5.962 1.00 0.00 C ATOM 163 CG ASN A 13 -0.399 -3.653 -5.592 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.396 -2.867 -4.645 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.475 -3.870 -6.340 1.00 0.00 N ATOM 0 H ASN A 13 0.762 -4.277 -3.503 1.00 0.00 H new ATOM 0 HA ASN A 13 2.846 -4.768 -5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.070 -4.279 -7.018 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.663 -5.497 -5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.344 -3.376 -6.139 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.432 -4.531 -7.116 1.00 0.00 H new ATOM 172 N PHE A 14 2.242 -1.611 -4.906 1.00 0.00 N ATOM 173 CA PHE A 14 2.686 -0.270 -5.267 1.00 0.00 C ATOM 174 C PHE A 14 3.026 0.544 -4.022 1.00 0.00 C ATOM 175 O PHE A 14 2.459 0.326 -2.952 1.00 0.00 O ATOM 176 CB PHE A 14 1.605 0.447 -6.079 1.00 0.00 C ATOM 177 CG PHE A 14 0.217 0.239 -5.543 1.00 0.00 C ATOM 178 CD1 PHE A 14 -0.143 0.736 -4.301 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.729 -0.453 -6.283 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.419 0.545 -3.806 1.00 0.00 C ATOM 181 CE2 PHE A 14 -2.007 -0.647 -5.793 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.352 -0.146 -4.553 1.00 0.00 C ATOM 0 H PHE A 14 1.648 -1.650 -4.078 1.00 0.00 H new ATOM 0 HA PHE A 14 3.586 -0.364 -5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.823 1.515 -6.097 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.644 0.097 -7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.582 1.279 -3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.464 -0.845 -7.254 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.686 0.936 -2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.734 -1.189 -6.379 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.350 -0.295 -4.168 1.00 0.00 H new ATOM 192 N GLU A 15 3.956 1.482 -4.171 1.00 0.00 N ATOM 193 CA GLU A 15 4.373 2.327 -3.058 1.00 0.00 C ATOM 194 C GLU A 15 3.279 3.327 -2.694 1.00 0.00 C ATOM 195 O GLU A 15 3.031 3.592 -1.517 1.00 0.00 O ATOM 196 CB GLU A 15 5.663 3.072 -3.410 1.00 0.00 C ATOM 197 CG GLU A 15 6.594 2.283 -4.315 1.00 0.00 C ATOM 198 CD GLU A 15 8.054 2.632 -4.096 1.00 0.00 C ATOM 199 OE1 GLU A 15 8.431 3.793 -4.358 1.00 0.00 O ATOM 200 OE2 GLU A 15 8.818 1.744 -3.663 1.00 0.00 O ATOM 0 H GLU A 15 4.435 1.676 -5.051 1.00 0.00 H new ATOM 0 HA GLU A 15 4.556 1.685 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.408 4.013 -3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.191 3.322 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.449 1.217 -4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.331 2.473 -5.356 1.00 0.00 H new ATOM 207 N LEU A 16 2.627 3.878 -3.712 1.00 0.00 N ATOM 208 CA LEU A 16 1.559 4.848 -3.501 1.00 0.00 C ATOM 209 C LEU A 16 0.324 4.485 -4.319 1.00 0.00 C ATOM 210 O LEU A 16 0.432 3.952 -5.424 1.00 0.00 O ATOM 211 CB LEU A 16 2.038 6.252 -3.875 1.00 0.00 C ATOM 212 CG LEU A 16 0.945 7.263 -4.225 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.393 8.675 -3.879 1.00 0.00 C ATOM 214 CD2 LEU A 16 0.578 7.164 -5.698 1.00 0.00 C ATOM 0 H LEU A 16 2.820 3.669 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 16 1.290 4.831 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.620 6.649 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.714 6.169 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 16 0.059 7.030 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.603 9.381 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.604 8.738 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.294 8.919 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.201 7.891 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.458 7.370 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.213 6.160 -5.915 1.00 0.00 H new ATOM 226 N LEU A 17 -0.850 4.779 -3.770 1.00 0.00 N ATOM 227 CA LEU A 17 -2.107 4.486 -4.450 1.00 0.00 C ATOM 228 C LEU A 17 -2.701 5.749 -5.065 1.00 0.00 C ATOM 229 O LEU A 17 -3.166 6.639 -4.353 1.00 0.00 O ATOM 230 CB LEU A 17 -3.105 3.864 -3.472 1.00 0.00 C ATOM 231 CG LEU A 17 -4.513 3.618 -4.015 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.467 2.686 -5.216 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.412 3.046 -2.928 1.00 0.00 C ATOM 0 H LEU A 17 -0.957 5.220 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.901 3.776 -5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.700 2.913 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.182 4.514 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.929 4.573 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.478 2.523 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.859 3.134 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.031 1.732 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.410 2.877 -3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.999 2.101 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.471 3.749 -2.097 1.00 0.00 H new ATOM 245 N ASP A 18 -2.684 5.818 -6.392 1.00 0.00 N ATOM 246 CA ASP A 18 -3.224 6.971 -7.104 1.00 0.00 C ATOM 247 C ASP A 18 -4.628 6.679 -7.625 1.00 0.00 C ATOM 248 O ASP A 18 -4.800 5.920 -8.580 1.00 0.00 O ATOM 249 CB ASP A 18 -2.305 7.356 -8.265 1.00 0.00 C ATOM 250 CG ASP A 18 -2.149 6.236 -9.275 1.00 0.00 C ATOM 251 OD1 ASP A 18 -1.912 5.085 -8.854 1.00 0.00 O ATOM 252 OD2 ASP A 18 -2.264 6.512 -10.488 1.00 0.00 O ATOM 0 H ASP A 18 -2.303 5.090 -6.996 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.282 7.805 -6.405 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.705 8.239 -8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.325 7.628 -7.874 1.00 0.00 H new ATOM 257 N ILE A 19 -5.626 7.285 -6.992 1.00 0.00 N ATOM 258 CA ILE A 19 -7.014 7.090 -7.392 1.00 0.00 C ATOM 259 C ILE A 19 -7.501 8.240 -8.267 1.00 0.00 C ATOM 260 O ILE A 19 -8.660 8.273 -8.679 1.00 0.00 O ATOM 261 CB ILE A 19 -7.940 6.963 -6.168 1.00 0.00 C ATOM 262 CG1 ILE A 19 -7.833 8.210 -5.288 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.595 5.714 -5.370 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.646 8.123 -4.015 1.00 0.00 C ATOM 0 H ILE A 19 -5.500 7.915 -6.200 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.050 6.162 -7.963 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.969 6.875 -6.517 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.787 8.375 -5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.161 9.078 -5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.258 5.638 -4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.718 4.834 -6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.562 5.774 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.523 9.041 -3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.699 7.990 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.303 7.275 -3.422 1.00 0.00 H new ATOM 276 N GLY A 20 -6.606 9.183 -8.548 1.00 0.00 N ATOM 277 CA GLY A 20 -6.963 10.321 -9.374 1.00 0.00 C ATOM 278 C GLY A 20 -8.109 11.125 -8.790 1.00 0.00 C ATOM 279 O GLY A 20 -8.255 11.217 -7.571 1.00 0.00 O ATOM 0 H GLY A 20 -5.641 9.179 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.093 10.967 -9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.238 9.972 -10.369 1.00 0.00 H new ATOM 283 N LYS A 21 -8.923 11.710 -9.661 1.00 0.00 N ATOM 284 CA LYS A 21 -10.062 12.511 -9.227 1.00 0.00 C ATOM 285 C LYS A 21 -11.254 11.622 -8.887 1.00 0.00 C ATOM 286 O LYS A 21 -11.495 10.611 -9.547 1.00 0.00 O ATOM 287 CB LYS A 21 -10.452 13.512 -10.316 1.00 0.00 C ATOM 288 CG LYS A 21 -9.591 14.763 -10.329 1.00 0.00 C ATOM 289 CD LYS A 21 -10.269 15.899 -11.078 1.00 0.00 C ATOM 290 CE LYS A 21 -10.128 15.736 -12.584 1.00 0.00 C ATOM 291 NZ LYS A 21 -11.213 14.890 -13.154 1.00 0.00 N ATOM 0 H LYS A 21 -8.815 11.645 -10.673 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.770 13.056 -8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.383 13.024 -11.288 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.494 13.800 -10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.384 15.074 -9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.631 14.540 -10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.325 15.932 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.833 16.850 -10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.145 16.717 -13.059 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.161 15.288 -12.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.795 14.082 -13.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.821 14.541 -12.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.782 15.455 -13.816 1.00 0.00 H new ATOM 305 N VAL A 22 -11.997 12.006 -7.854 1.00 0.00 N ATOM 306 CA VAL A 22 -13.166 11.245 -7.429 1.00 0.00 C ATOM 307 C VAL A 22 -14.308 12.171 -7.026 1.00 0.00 C ATOM 308 O VAL A 22 -14.086 13.221 -6.423 1.00 0.00 O ATOM 309 CB VAL A 22 -12.831 10.316 -6.247 1.00 0.00 C ATOM 310 CG1 VAL A 22 -12.004 9.130 -6.717 1.00 0.00 C ATOM 311 CG2 VAL A 22 -12.103 11.086 -5.155 1.00 0.00 C ATOM 0 H VAL A 22 -11.810 12.839 -7.296 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.477 10.640 -8.281 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.764 9.935 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.777 8.485 -5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.567 8.566 -7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.074 9.487 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.874 10.415 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.177 11.497 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.736 11.898 -4.799 1.00 0.00 H new ATOM 321 N PHE A 23 -15.531 11.775 -7.363 1.00 0.00 N ATOM 322 CA PHE A 23 -16.709 12.570 -7.036 1.00 0.00 C ATOM 323 C PHE A 23 -16.929 12.622 -5.528 1.00 0.00 C ATOM 324 O PHE A 23 -16.634 11.664 -4.811 1.00 0.00 O ATOM 325 CB PHE A 23 -17.947 11.991 -7.724 1.00 0.00 C ATOM 326 CG PHE A 23 -19.109 12.942 -7.766 1.00 0.00 C ATOM 327 CD1 PHE A 23 -19.027 14.127 -8.481 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.284 12.652 -7.091 1.00 0.00 C ATOM 329 CE1 PHE A 23 -20.094 15.004 -8.520 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.355 13.525 -7.127 1.00 0.00 C ATOM 331 CZ PHE A 23 -21.260 14.702 -7.843 1.00 0.00 C ATOM 0 H PHE A 23 -15.732 10.909 -7.862 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.543 13.585 -7.396 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.686 11.704 -8.743 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.250 11.082 -7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -18.119 14.367 -9.014 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.364 11.733 -6.530 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -20.017 15.925 -9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.265 13.287 -6.596 1.00 0.00 H new ATOM 0 HZ PHE A 23 -22.096 15.385 -7.874 1.00 0.00 H new ATOM 341 N THR A 24 -17.450 13.748 -5.050 1.00 0.00 N ATOM 342 CA THR A 24 -17.708 13.927 -3.627 1.00 0.00 C ATOM 343 C THR A 24 -18.961 13.173 -3.196 1.00 0.00 C ATOM 344 O THR A 24 -19.982 13.202 -3.882 1.00 0.00 O ATOM 345 CB THR A 24 -17.871 15.416 -3.268 1.00 0.00 C ATOM 346 OG1 THR A 24 -18.109 15.559 -1.864 1.00 0.00 O ATOM 347 CG2 THR A 24 -19.020 16.038 -4.048 1.00 0.00 C ATOM 0 H THR A 24 -17.702 14.550 -5.628 1.00 0.00 H new ATOM 0 HA THR A 24 -16.844 13.525 -3.097 1.00 0.00 H new ATOM 0 HB THR A 24 -16.949 15.934 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.210 16.509 -1.644 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.116 17.090 -3.778 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.822 15.954 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.947 15.516 -3.809 1.00 0.00 H new ATOM 355 N GLY A 25 -18.876 12.496 -2.055 1.00 0.00 N ATOM 356 CA GLY A 25 -20.010 11.744 -1.552 1.00 0.00 C ATOM 357 C GLY A 25 -20.033 10.318 -2.066 1.00 0.00 C ATOM 358 O GLY A 25 -19.858 9.371 -1.298 1.00 0.00 O ATOM 0 H GLY A 25 -18.041 12.455 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -19.981 11.734 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -20.933 12.247 -1.842 1.00 0.00 H new ATOM 362 N SER A 26 -20.252 10.163 -3.368 1.00 0.00 N ATOM 363 CA SER A 26 -20.303 8.841 -3.982 1.00 0.00 C ATOM 364 C SER A 26 -19.296 7.899 -3.329 1.00 0.00 C ATOM 365 O SER A 26 -18.272 8.335 -2.804 1.00 0.00 O ATOM 366 CB SER A 26 -20.024 8.943 -5.483 1.00 0.00 C ATOM 367 OG SER A 26 -20.049 7.664 -6.094 1.00 0.00 O ATOM 0 H SER A 26 -20.397 10.936 -4.018 1.00 0.00 H new ATOM 0 HA SER A 26 -21.303 8.435 -3.831 1.00 0.00 H new ATOM 0 HB2 SER A 26 -20.767 9.588 -5.951 1.00 0.00 H new ATOM 0 HB3 SER A 26 -19.051 9.408 -5.645 1.00 0.00 H new ATOM 0 HG SER A 26 -19.870 7.756 -7.053 1.00 0.00 H new ATOM 373 N ALA A 27 -19.596 6.605 -3.367 1.00 0.00 N ATOM 374 CA ALA A 27 -18.717 5.600 -2.781 1.00 0.00 C ATOM 375 C ALA A 27 -17.812 4.979 -3.839 1.00 0.00 C ATOM 376 O ALA A 27 -18.288 4.407 -4.820 1.00 0.00 O ATOM 377 CB ALA A 27 -19.537 4.523 -2.087 1.00 0.00 C ATOM 0 H ALA A 27 -20.441 6.228 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 27 -18.084 6.092 -2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.868 3.779 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -20.137 4.975 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -20.194 4.042 -2.812 1.00 0.00 H new ATOM 383 N HIS A 28 -16.503 5.095 -3.634 1.00 0.00 N ATOM 384 CA HIS A 28 -15.531 4.545 -4.571 1.00 0.00 C ATOM 385 C HIS A 28 -15.018 3.191 -4.090 1.00 0.00 C ATOM 386 O HIS A 28 -14.955 2.933 -2.887 1.00 0.00 O ATOM 387 CB HIS A 28 -14.360 5.512 -4.751 1.00 0.00 C ATOM 388 CG HIS A 28 -14.582 6.526 -5.831 1.00 0.00 C ATOM 389 ND1 HIS A 28 -14.077 6.390 -7.107 1.00 0.00 N ATOM 390 CD2 HIS A 28 -15.260 7.698 -5.819 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.434 7.434 -7.833 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.153 8.243 -7.075 1.00 0.00 N ATOM 0 H HIS A 28 -16.092 5.565 -2.827 1.00 0.00 H new ATOM 0 HA HIS A 28 -16.028 4.405 -5.531 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -14.179 6.030 -3.809 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.460 4.941 -4.979 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -13.515 5.606 -7.438 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -15.787 8.125 -4.978 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.181 7.599 -8.870 1.00 0.00 H new ATOM 400 N CYS A 29 -14.653 2.332 -5.034 1.00 0.00 N ATOM 401 CA CYS A 29 -14.148 1.004 -4.706 1.00 0.00 C ATOM 402 C CYS A 29 -12.751 0.796 -5.282 1.00 0.00 C ATOM 403 O CYS A 29 -12.488 1.134 -6.437 1.00 0.00 O ATOM 404 CB CYS A 29 -15.096 -0.072 -5.237 1.00 0.00 C ATOM 405 SG CYS A 29 -15.212 -0.129 -7.041 1.00 0.00 S ATOM 0 H CYS A 29 -14.697 2.531 -6.033 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.090 0.923 -3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.764 -1.045 -4.874 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.090 0.100 -4.825 1.00 0.00 H new ATOM 0 HG CYS A 29 -14.141 0.392 -7.561 1.00 0.00 H new ATOM 411 N TYR A 30 -11.859 0.240 -4.471 1.00 0.00 N ATOM 412 CA TYR A 30 -10.487 -0.009 -4.898 1.00 0.00 C ATOM 413 C TYR A 30 -9.989 -1.354 -4.377 1.00 0.00 C ATOM 414 O TYR A 30 -10.660 -2.009 -3.580 1.00 0.00 O ATOM 415 CB TYR A 30 -9.567 1.112 -4.410 1.00 0.00 C ATOM 416 CG TYR A 30 -10.000 2.489 -4.860 1.00 0.00 C ATOM 417 CD1 TYR A 30 -10.216 2.766 -6.204 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.193 3.512 -3.941 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.610 4.023 -6.620 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.589 4.772 -4.347 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.796 5.023 -5.687 1.00 0.00 C ATOM 422 OH TYR A 30 -11.190 6.276 -6.097 1.00 0.00 O ATOM 0 H TYR A 30 -12.061 -0.047 -3.513 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.472 -0.034 -5.988 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.528 1.090 -3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.555 0.923 -4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.073 1.985 -6.936 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.031 3.319 -2.891 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.772 4.222 -7.669 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.736 5.556 -3.619 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.114 6.238 -6.422 1.00 0.00 H new ATOM 432 N GLU A 31 -8.808 -1.758 -4.833 1.00 0.00 N ATOM 433 CA GLU A 31 -8.220 -3.024 -4.414 1.00 0.00 C ATOM 434 C GLU A 31 -6.708 -2.896 -4.254 1.00 0.00 C ATOM 435 O GLU A 31 -6.021 -2.386 -5.138 1.00 0.00 O ATOM 436 CB GLU A 31 -8.545 -4.124 -5.427 1.00 0.00 C ATOM 437 CG GLU A 31 -8.392 -5.529 -4.870 1.00 0.00 C ATOM 438 CD GLU A 31 -8.742 -6.600 -5.885 1.00 0.00 C ATOM 439 OE1 GLU A 31 -8.186 -6.562 -7.003 1.00 0.00 O ATOM 440 OE2 GLU A 31 -9.571 -7.476 -5.562 1.00 0.00 O ATOM 0 H GLU A 31 -8.240 -1.227 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.649 -3.291 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.568 -3.991 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.893 -4.013 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.365 -5.673 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.032 -5.640 -3.994 1.00 0.00 H new ATOM 447 N ALA A 32 -6.197 -3.362 -3.119 1.00 0.00 N ATOM 448 CA ALA A 32 -4.767 -3.300 -2.843 1.00 0.00 C ATOM 449 C ALA A 32 -4.220 -4.675 -2.472 1.00 0.00 C ATOM 450 O ALA A 32 -4.691 -5.305 -1.525 1.00 0.00 O ATOM 451 CB ALA A 32 -4.486 -2.300 -1.732 1.00 0.00 C ATOM 0 H ALA A 32 -6.752 -3.787 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.261 -2.969 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.414 -2.265 -1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.832 -1.312 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.010 -2.606 -0.826 1.00 0.00 H new ATOM 457 N ILE A 33 -3.225 -5.133 -3.223 1.00 0.00 N ATOM 458 CA ILE A 33 -2.614 -6.433 -2.971 1.00 0.00 C ATOM 459 C ILE A 33 -1.380 -6.298 -2.086 1.00 0.00 C ATOM 460 O ILE A 33 -0.601 -5.354 -2.227 1.00 0.00 O ATOM 461 CB ILE A 33 -2.216 -7.131 -4.285 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.296 -6.921 -5.348 1.00 0.00 C ATOM 463 CG2 ILE A 33 -1.984 -8.616 -4.045 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.703 -6.944 -4.792 1.00 0.00 C ATOM 0 H ILE A 33 -2.824 -4.624 -4.011 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.361 -7.039 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.287 -6.690 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.125 -5.965 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.202 -7.696 -6.108 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.703 -9.097 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.184 -8.746 -3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.899 -9.070 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.417 -6.789 -5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.892 -7.909 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.815 -6.151 -4.053 1.00 0.00 H new ATOM 476 N LEU A 34 -1.206 -7.249 -1.174 1.00 0.00 N ATOM 477 CA LEU A 34 -0.065 -7.238 -0.266 1.00 0.00 C ATOM 478 C LEU A 34 0.668 -8.576 -0.297 1.00 0.00 C ATOM 479 O LEU A 34 0.148 -9.590 0.169 1.00 0.00 O ATOM 480 CB LEU A 34 -0.525 -6.929 1.160 1.00 0.00 C ATOM 481 CG LEU A 34 0.571 -6.524 2.146 1.00 0.00 C ATOM 482 CD1 LEU A 34 0.969 -5.071 1.935 1.00 0.00 C ATOM 483 CD2 LEU A 34 0.110 -6.750 3.578 1.00 0.00 C ATOM 0 H LEU A 34 -1.841 -8.037 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 34 0.623 -6.459 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.262 -6.127 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.034 -7.808 1.555 1.00 0.00 H new ATOM 0 HG LEU A 34 1.446 -7.149 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.750 -4.801 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.342 -4.940 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.101 -4.430 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.903 -6.456 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.780 -6.151 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.124 -7.805 3.723 1.00 0.00 H new ATOM 495 N TYR A 35 1.877 -8.569 -0.846 1.00 0.00 N ATOM 496 CA TYR A 35 2.681 -9.782 -0.937 1.00 0.00 C ATOM 497 C TYR A 35 3.479 -10.005 0.344 1.00 0.00 C ATOM 498 O TYR A 35 4.139 -9.095 0.844 1.00 0.00 O ATOM 499 CB TYR A 35 3.630 -9.701 -2.134 1.00 0.00 C ATOM 500 CG TYR A 35 2.920 -9.658 -3.468 1.00 0.00 C ATOM 501 CD1 TYR A 35 2.149 -8.560 -3.831 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.019 -10.715 -4.365 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.498 -8.517 -5.049 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.372 -10.679 -5.585 1.00 0.00 C ATOM 505 CZ TYR A 35 1.613 -9.578 -5.922 1.00 0.00 C ATOM 506 OH TYR A 35 0.966 -9.539 -7.136 1.00 0.00 O ATOM 0 H TYR A 35 2.322 -7.738 -1.235 1.00 0.00 H new ATOM 0 HA TYR A 35 2.005 -10.626 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.252 -8.811 -2.034 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.299 -10.561 -2.116 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.057 -7.727 -3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.612 -11.579 -4.104 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.902 -7.657 -5.316 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.460 -11.508 -6.271 1.00 0.00 H new ATOM 0 HH TYR A 35 1.151 -10.364 -7.632 1.00 0.00 H new ATOM 516 N ASN A 36 3.412 -11.224 0.871 1.00 0.00 N ATOM 517 CA ASN A 36 4.128 -11.568 2.094 1.00 0.00 C ATOM 518 C ASN A 36 5.455 -12.249 1.774 1.00 0.00 C ATOM 519 O ASN A 36 5.484 -13.354 1.230 1.00 0.00 O ATOM 520 CB ASN A 36 3.270 -12.483 2.971 1.00 0.00 C ATOM 521 CG ASN A 36 3.995 -12.925 4.227 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.793 -12.177 4.793 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.720 -14.146 4.670 1.00 0.00 N ATOM 0 H ASN A 36 2.870 -11.989 0.470 1.00 0.00 H new ATOM 0 HA ASN A 36 4.335 -10.646 2.636 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.354 -11.962 3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.976 -13.361 2.396 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.177 -14.498 5.511 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.052 -14.732 4.169 1.00 0.00 H new ATOM 530 N LYS A 37 6.553 -11.584 2.117 1.00 0.00 N ATOM 531 CA LYS A 37 7.884 -12.125 1.869 1.00 0.00 C ATOM 532 C LYS A 37 8.461 -12.752 3.135 1.00 0.00 C ATOM 533 O LYS A 37 9.667 -12.696 3.372 1.00 0.00 O ATOM 534 CB LYS A 37 8.818 -11.024 1.362 1.00 0.00 C ATOM 535 CG LYS A 37 8.421 -10.467 0.005 1.00 0.00 C ATOM 536 CD LYS A 37 9.082 -11.234 -1.128 1.00 0.00 C ATOM 537 CE LYS A 37 8.234 -11.203 -2.390 1.00 0.00 C ATOM 538 NZ LYS A 37 9.015 -11.606 -3.592 1.00 0.00 N ATOM 0 H LYS A 37 6.547 -10.669 2.568 1.00 0.00 H new ATOM 0 HA LYS A 37 7.798 -12.900 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.836 -10.211 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.832 -11.419 1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.338 -10.514 -0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.702 -9.415 -0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.062 -10.805 -1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.245 -12.268 -0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.381 -11.870 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.836 -10.199 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.402 -11.572 -4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.815 -10.954 -3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.374 -12.574 -3.464 1.00 0.00 H new ATOM 552 N GLY A 38 7.591 -13.349 3.944 1.00 0.00 N ATOM 553 CA GLY A 38 8.034 -13.979 5.174 1.00 0.00 C ATOM 554 C GLY A 38 8.227 -15.474 5.022 1.00 0.00 C ATOM 555 O GLY A 38 7.685 -16.087 4.103 1.00 0.00 O ATOM 0 H GLY A 38 6.588 -13.408 3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.972 -13.525 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.303 -13.788 5.960 1.00 0.00 H new ATOM 559 N SER A 39 9.004 -16.063 5.926 1.00 0.00 N ATOM 560 CA SER A 39 9.273 -17.496 5.886 1.00 0.00 C ATOM 561 C SER A 39 8.048 -18.291 6.328 1.00 0.00 C ATOM 562 O SER A 39 7.774 -19.372 5.805 1.00 0.00 O ATOM 563 CB SER A 39 10.466 -17.838 6.779 1.00 0.00 C ATOM 564 OG SER A 39 10.772 -19.220 6.716 1.00 0.00 O ATOM 0 H SER A 39 9.458 -15.570 6.695 1.00 0.00 H new ATOM 0 HA SER A 39 9.509 -17.767 4.857 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.334 -17.256 6.470 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.245 -17.558 7.809 1.00 0.00 H new ATOM 0 HG SER A 39 11.539 -19.412 7.295 1.00 0.00 H new ATOM 570 N ILE A 40 7.315 -17.748 7.294 1.00 0.00 N ATOM 571 CA ILE A 40 6.119 -18.405 7.806 1.00 0.00 C ATOM 572 C ILE A 40 4.944 -17.435 7.872 1.00 0.00 C ATOM 573 O ILE A 40 5.060 -16.276 7.475 1.00 0.00 O ATOM 574 CB ILE A 40 6.359 -19.000 9.206 1.00 0.00 C ATOM 575 CG1 ILE A 40 7.224 -18.056 10.043 1.00 0.00 C ATOM 576 CG2 ILE A 40 7.013 -20.369 9.094 1.00 0.00 C ATOM 577 CD1 ILE A 40 8.659 -17.975 9.572 1.00 0.00 C ATOM 0 H ILE A 40 7.528 -16.855 7.738 1.00 0.00 H new ATOM 0 HA ILE A 40 5.882 -19.212 7.113 1.00 0.00 H new ATOM 0 HB ILE A 40 5.397 -19.119 9.705 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.786 -17.058 10.020 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.209 -18.387 11.081 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.176 -20.777 10.092 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.363 -21.038 8.530 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.969 -20.274 8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.213 -17.288 10.211 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.114 -18.964 9.621 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.685 -17.615 8.544 1.00 0.00 H new ATOM 589 N ASP A 41 3.815 -17.916 8.380 1.00 0.00 N ATOM 590 CA ASP A 41 2.619 -17.091 8.502 1.00 0.00 C ATOM 591 C ASP A 41 2.961 -15.721 9.079 1.00 0.00 C ATOM 592 O ASP A 41 3.629 -15.619 10.107 1.00 0.00 O ATOM 593 CB ASP A 41 1.582 -17.786 9.386 1.00 0.00 C ATOM 594 CG ASP A 41 1.634 -19.296 9.261 1.00 0.00 C ATOM 595 OD1 ASP A 41 1.276 -19.815 8.184 1.00 0.00 O ATOM 596 OD2 ASP A 41 2.031 -19.959 10.242 1.00 0.00 O ATOM 0 H ASP A 41 3.703 -18.873 8.714 1.00 0.00 H new ATOM 0 HA ASP A 41 2.200 -16.952 7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.748 -17.504 10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.586 -17.436 9.116 1.00 0.00 H new ATOM 601 N ALA A 42 2.499 -14.670 8.409 1.00 0.00 N ATOM 602 CA ALA A 42 2.755 -13.307 8.855 1.00 0.00 C ATOM 603 C ALA A 42 1.452 -12.577 9.165 1.00 0.00 C ATOM 604 O ALA A 42 0.529 -12.560 8.350 1.00 0.00 O ATOM 605 CB ALA A 42 3.550 -12.548 7.803 1.00 0.00 C ATOM 0 H ALA A 42 1.945 -14.737 7.555 1.00 0.00 H new ATOM 0 HA ALA A 42 3.341 -13.355 9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.734 -11.531 8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.502 -13.051 7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.984 -12.517 6.872 1.00 0.00 H new ATOM 611 N LEU A 43 1.384 -11.975 10.347 1.00 0.00 N ATOM 612 CA LEU A 43 0.193 -11.243 10.765 1.00 0.00 C ATOM 613 C LEU A 43 0.260 -9.789 10.309 1.00 0.00 C ATOM 614 O LEU A 43 1.342 -9.244 10.093 1.00 0.00 O ATOM 615 CB LEU A 43 0.039 -11.306 12.286 1.00 0.00 C ATOM 616 CG LEU A 43 0.379 -12.646 12.940 1.00 0.00 C ATOM 617 CD1 LEU A 43 0.492 -12.490 14.448 1.00 0.00 C ATOM 618 CD2 LEU A 43 -0.667 -13.693 12.586 1.00 0.00 C ATOM 0 H LEU A 43 2.139 -11.979 11.033 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.674 -11.711 10.299 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.674 -10.538 12.728 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.991 -11.052 12.538 1.00 0.00 H new ATOM 0 HG LEU A 43 1.343 -12.982 12.557 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.734 -13.454 14.896 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.279 -11.773 14.682 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.456 -12.132 14.849 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.409 -14.640 13.060 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.644 -13.365 12.940 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.698 -13.825 11.504 1.00 0.00 H new ATOM 630 N PHE A 44 -0.905 -9.165 10.167 1.00 0.00 N ATOM 631 CA PHE A 44 -0.980 -7.773 9.738 1.00 0.00 C ATOM 632 C PHE A 44 -2.315 -7.152 10.136 1.00 0.00 C ATOM 633 O PHE A 44 -3.302 -7.857 10.344 1.00 0.00 O ATOM 634 CB PHE A 44 -0.788 -7.673 8.224 1.00 0.00 C ATOM 635 CG PHE A 44 -1.982 -8.133 7.437 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.331 -9.473 7.402 1.00 0.00 C ATOM 637 CD2 PHE A 44 -2.756 -7.224 6.732 1.00 0.00 C ATOM 638 CE1 PHE A 44 -3.430 -9.899 6.679 1.00 0.00 C ATOM 639 CE2 PHE A 44 -3.855 -7.645 6.008 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.192 -8.984 5.981 1.00 0.00 C ATOM 0 H PHE A 44 -1.810 -9.601 10.343 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.182 -7.222 10.235 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.566 -6.639 7.961 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.079 -8.268 7.936 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.738 -10.193 7.946 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.497 -6.176 6.749 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.692 -10.947 6.660 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.450 -6.927 5.463 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.050 -9.315 5.415 1.00 0.00 H new ATOM 650 N ASN A 45 -2.338 -5.827 10.240 1.00 0.00 N ATOM 651 CA ASN A 45 -3.552 -5.110 10.613 1.00 0.00 C ATOM 652 C ASN A 45 -3.387 -3.610 10.392 1.00 0.00 C ATOM 653 O ASN A 45 -2.311 -3.055 10.611 1.00 0.00 O ATOM 654 CB ASN A 45 -3.902 -5.386 12.077 1.00 0.00 C ATOM 655 CG ASN A 45 -2.886 -4.795 13.035 1.00 0.00 C ATOM 656 OD1 ASN A 45 -2.977 -3.626 13.409 1.00 0.00 O ATOM 657 ND2 ASN A 45 -1.913 -5.604 13.438 1.00 0.00 N ATOM 0 H ASN A 45 -1.530 -5.228 10.071 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.364 -5.465 9.979 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.887 -4.974 12.296 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.964 -6.463 12.236 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.201 -5.263 14.084 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.878 -6.566 13.101 1.00 0.00 H new ATOM 664 N MET A 46 -4.462 -2.960 9.957 1.00 0.00 N ATOM 665 CA MET A 46 -4.437 -1.523 9.709 1.00 0.00 C ATOM 666 C MET A 46 -4.634 -0.743 11.005 1.00 0.00 C ATOM 667 O MET A 46 -5.334 -1.194 11.912 1.00 0.00 O ATOM 668 CB MET A 46 -5.520 -1.140 8.699 1.00 0.00 C ATOM 669 CG MET A 46 -5.584 -2.066 7.495 1.00 0.00 C ATOM 670 SD MET A 46 -4.310 -1.703 6.272 1.00 0.00 S ATOM 671 CE MET A 46 -4.575 0.049 6.015 1.00 0.00 C ATOM 0 H MET A 46 -5.360 -3.405 9.769 1.00 0.00 H new ATOM 0 HA MET A 46 -3.460 -1.267 9.298 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.488 -1.141 9.199 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.340 -0.122 8.355 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.478 -3.098 7.829 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.565 -1.981 7.028 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.363 0.300 4.976 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.611 0.298 6.244 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.912 0.617 6.668 1.00 0.00 H new ATOM 681 N THR A 47 -4.012 0.429 11.086 1.00 0.00 N ATOM 682 CA THR A 47 -4.118 1.270 12.271 1.00 0.00 C ATOM 683 C THR A 47 -5.347 2.170 12.198 1.00 0.00 C ATOM 684 O THR A 47 -5.676 2.728 11.152 1.00 0.00 O ATOM 685 CB THR A 47 -2.864 2.146 12.452 1.00 0.00 C ATOM 686 OG1 THR A 47 -1.709 1.318 12.627 1.00 0.00 O ATOM 687 CG2 THR A 47 -3.019 3.070 13.651 1.00 0.00 C ATOM 0 H THR A 47 -3.429 0.817 10.344 1.00 0.00 H new ATOM 0 HA THR A 47 -4.211 0.601 13.126 1.00 0.00 H new ATOM 0 HB THR A 47 -2.741 2.756 11.557 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.916 1.882 12.740 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.122 3.679 13.759 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.882 3.719 13.501 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.165 2.475 14.553 1.00 0.00 H new ATOM 695 N PRO A 48 -6.042 2.316 13.336 1.00 0.00 N ATOM 696 CA PRO A 48 -7.245 3.148 13.427 1.00 0.00 C ATOM 697 C PRO A 48 -6.930 4.636 13.313 1.00 0.00 C ATOM 698 O PRO A 48 -6.286 5.227 14.180 1.00 0.00 O ATOM 699 CB PRO A 48 -7.797 2.823 14.817 1.00 0.00 C ATOM 700 CG PRO A 48 -6.612 2.376 15.600 1.00 0.00 C ATOM 701 CD PRO A 48 -5.707 1.680 14.621 1.00 0.00 C ATOM 0 HA PRO A 48 -7.945 2.943 12.617 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.265 3.696 15.271 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.557 2.043 14.769 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.108 3.224 16.063 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -6.907 1.703 16.405 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.656 1.819 14.876 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.890 0.606 14.598 1.00 0.00 H new ATOM 709 N PRO A 49 -7.395 5.258 12.220 1.00 0.00 N ATOM 710 CA PRO A 49 -7.176 6.686 11.968 1.00 0.00 C ATOM 711 C PRO A 49 -7.964 7.571 12.926 1.00 0.00 C ATOM 712 O PRO A 49 -9.104 7.265 13.277 1.00 0.00 O ATOM 713 CB PRO A 49 -7.675 6.873 10.533 1.00 0.00 C ATOM 714 CG PRO A 49 -8.666 5.779 10.330 1.00 0.00 C ATOM 715 CD PRO A 49 -8.171 4.616 11.145 1.00 0.00 C ATOM 0 HA PRO A 49 -6.134 6.970 12.112 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.134 7.853 10.398 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.856 6.803 9.817 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.660 6.088 10.654 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.743 5.512 9.276 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.995 4.024 11.543 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.553 3.943 10.551 1.00 0.00 H new ATOM 723 N THR A 50 -7.350 8.673 13.348 1.00 0.00 N ATOM 724 CA THR A 50 -7.995 9.603 14.267 1.00 0.00 C ATOM 725 C THR A 50 -8.298 10.930 13.582 1.00 0.00 C ATOM 726 O THR A 50 -8.225 11.991 14.203 1.00 0.00 O ATOM 727 CB THR A 50 -7.118 9.866 15.506 1.00 0.00 C ATOM 728 OG1 THR A 50 -5.836 10.361 15.103 1.00 0.00 O ATOM 729 CG2 THR A 50 -6.943 8.595 16.324 1.00 0.00 C ATOM 0 H THR A 50 -6.407 8.943 13.068 1.00 0.00 H new ATOM 0 HA THR A 50 -8.929 9.139 14.584 1.00 0.00 H new ATOM 0 HB THR A 50 -7.616 10.612 16.125 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.285 10.527 15.896 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.320 8.805 17.194 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.918 8.237 16.654 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.465 7.831 15.711 1.00 0.00 H new ATOM 737 N SER A 51 -8.640 10.865 12.299 1.00 0.00 N ATOM 738 CA SER A 51 -8.952 12.063 11.529 1.00 0.00 C ATOM 739 C SER A 51 -10.333 11.954 10.891 1.00 0.00 C ATOM 740 O SER A 51 -10.966 10.900 10.930 1.00 0.00 O ATOM 741 CB SER A 51 -7.894 12.289 10.447 1.00 0.00 C ATOM 742 OG SER A 51 -7.727 11.132 9.647 1.00 0.00 O ATOM 0 H SER A 51 -8.708 9.995 11.771 1.00 0.00 H new ATOM 0 HA SER A 51 -8.952 12.914 12.211 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.186 13.130 9.819 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.944 12.553 10.912 1.00 0.00 H new ATOM 0 HG SER A 51 -7.047 11.303 8.962 1.00 0.00 H new ATOM 748 N ALA A 52 -10.794 13.054 10.303 1.00 0.00 N ATOM 749 CA ALA A 52 -12.100 13.083 9.654 1.00 0.00 C ATOM 750 C ALA A 52 -12.033 12.472 8.259 1.00 0.00 C ATOM 751 O ALA A 52 -12.955 11.777 7.829 1.00 0.00 O ATOM 752 CB ALA A 52 -12.622 14.510 9.584 1.00 0.00 C ATOM 0 H ALA A 52 -10.283 13.936 10.263 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.789 12.485 10.251 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.597 14.517 9.097 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.717 14.913 10.592 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.927 15.124 9.012 1.00 0.00 H new ATOM 758 N LEU A 53 -10.937 12.736 7.555 1.00 0.00 N ATOM 759 CA LEU A 53 -10.750 12.213 6.206 1.00 0.00 C ATOM 760 C LEU A 53 -10.242 10.775 6.245 1.00 0.00 C ATOM 761 O LEU A 53 -10.711 9.920 5.495 1.00 0.00 O ATOM 762 CB LEU A 53 -9.769 13.091 5.428 1.00 0.00 C ATOM 763 CG LEU A 53 -9.973 13.147 3.914 1.00 0.00 C ATOM 764 CD1 LEU A 53 -10.364 11.779 3.377 1.00 0.00 C ATOM 765 CD2 LEU A 53 -11.027 14.184 3.556 1.00 0.00 C ATOM 0 H LEU A 53 -10.165 13.309 7.896 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.716 12.224 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.831 14.106 5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.758 12.734 5.625 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.031 13.441 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.505 11.838 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.575 11.061 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.293 11.456 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.159 14.210 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.972 13.921 4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.706 15.165 3.906 1.00 0.00 H new ATOM 777 N GLY A 54 -9.282 10.516 7.127 1.00 0.00 N ATOM 778 CA GLY A 54 -8.728 9.180 7.249 1.00 0.00 C ATOM 779 C GLY A 54 -9.754 8.167 7.717 1.00 0.00 C ATOM 780 O GLY A 54 -9.651 6.981 7.407 1.00 0.00 O ATOM 0 H GLY A 54 -8.878 11.207 7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.327 8.867 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.894 9.199 7.951 1.00 0.00 H new ATOM 784 N ALA A 55 -10.746 8.635 8.468 1.00 0.00 N ATOM 785 CA ALA A 55 -11.795 7.762 8.979 1.00 0.00 C ATOM 786 C ALA A 55 -12.767 7.367 7.873 1.00 0.00 C ATOM 787 O ALA A 55 -13.697 6.591 8.099 1.00 0.00 O ATOM 788 CB ALA A 55 -12.538 8.442 10.120 1.00 0.00 C ATOM 0 H ALA A 55 -10.845 9.614 8.736 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.326 6.853 9.356 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.319 7.779 10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.839 8.668 10.926 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.989 9.367 9.761 1.00 0.00 H new ATOM 794 N CYS A 56 -12.547 7.904 6.678 1.00 0.00 N ATOM 795 CA CYS A 56 -13.406 7.608 5.537 1.00 0.00 C ATOM 796 C CYS A 56 -12.902 6.382 4.781 1.00 0.00 C ATOM 797 O CYS A 56 -13.683 5.652 4.170 1.00 0.00 O ATOM 798 CB CYS A 56 -13.470 8.811 4.595 1.00 0.00 C ATOM 799 SG CYS A 56 -13.846 10.375 5.421 1.00 0.00 S ATOM 0 H CYS A 56 -11.781 8.546 6.474 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.407 7.396 5.912 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.515 8.906 4.078 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.227 8.623 3.834 1.00 0.00 H new ATOM 0 HG CYS A 56 -13.140 10.472 6.508 1.00 0.00 H new ATOM 805 N PHE A 57 -11.592 6.162 4.826 1.00 0.00 N ATOM 806 CA PHE A 57 -10.984 5.026 4.144 1.00 0.00 C ATOM 807 C PHE A 57 -11.217 3.735 4.923 1.00 0.00 C ATOM 808 O PHE A 57 -10.777 3.597 6.064 1.00 0.00 O ATOM 809 CB PHE A 57 -9.483 5.260 3.959 1.00 0.00 C ATOM 810 CG PHE A 57 -9.158 6.234 2.863 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.028 5.804 1.552 1.00 0.00 C ATOM 812 CD2 PHE A 57 -8.983 7.579 3.143 1.00 0.00 C ATOM 813 CE1 PHE A 57 -8.730 6.698 0.541 1.00 0.00 C ATOM 814 CE2 PHE A 57 -8.685 8.478 2.136 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.557 8.036 0.834 1.00 0.00 C ATOM 0 H PHE A 57 -10.931 6.756 5.328 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.453 4.928 3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.062 5.626 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.999 4.308 3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.161 4.758 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.080 7.930 4.160 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.633 6.350 -0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.552 9.525 2.367 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.322 8.736 0.046 1.00 0.00 H new ATOM 825 N VAL A 58 -11.914 2.791 4.297 1.00 0.00 N ATOM 826 CA VAL A 58 -12.206 1.511 4.931 1.00 0.00 C ATOM 827 C VAL A 58 -11.306 0.409 4.383 1.00 0.00 C ATOM 828 O VAL A 58 -11.384 0.056 3.206 1.00 0.00 O ATOM 829 CB VAL A 58 -13.677 1.106 4.725 1.00 0.00 C ATOM 830 CG1 VAL A 58 -13.969 -0.218 5.414 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.606 2.198 5.235 1.00 0.00 C ATOM 0 H VAL A 58 -12.286 2.889 3.352 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.017 1.635 5.997 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.854 0.978 3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -15.013 -0.487 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.327 -0.994 4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.776 -0.123 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.642 1.895 5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.429 2.359 6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.414 3.123 4.691 1.00 0.00 H new ATOM 841 N PHE A 59 -10.450 -0.131 5.245 1.00 0.00 N ATOM 842 CA PHE A 59 -9.533 -1.194 4.847 1.00 0.00 C ATOM 843 C PHE A 59 -10.009 -2.546 5.370 1.00 0.00 C ATOM 844 O PHE A 59 -10.382 -2.676 6.536 1.00 0.00 O ATOM 845 CB PHE A 59 -8.124 -0.900 5.366 1.00 0.00 C ATOM 846 CG PHE A 59 -7.523 0.352 4.794 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.913 1.598 5.258 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.568 0.283 3.792 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.362 2.751 4.733 1.00 0.00 C ATOM 850 CE2 PHE A 59 -6.014 1.433 3.263 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.411 2.669 3.735 1.00 0.00 C ATOM 0 H PHE A 59 -10.372 0.150 6.223 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.511 -1.233 3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.156 -0.814 6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.476 -1.744 5.132 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.656 1.669 6.039 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.253 -0.681 3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.675 3.716 5.103 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.272 1.366 2.482 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.979 3.569 3.324 1.00 0.00 H new ATOM 861 N SER A 60 -9.993 -3.549 4.499 1.00 0.00 N ATOM 862 CA SER A 60 -10.426 -4.891 4.871 1.00 0.00 C ATOM 863 C SER A 60 -9.670 -5.947 4.070 1.00 0.00 C ATOM 864 O SER A 60 -9.374 -5.773 2.888 1.00 0.00 O ATOM 865 CB SER A 60 -11.932 -5.045 4.644 1.00 0.00 C ATOM 866 OG SER A 60 -12.496 -5.956 5.571 1.00 0.00 O ATOM 0 H SER A 60 -9.685 -3.458 3.531 1.00 0.00 H new ATOM 0 HA SER A 60 -10.208 -5.036 5.929 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.419 -4.075 4.741 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.116 -5.394 3.628 1.00 0.00 H new ATOM 0 HG SER A 60 -13.459 -6.036 5.407 1.00 0.00 H new ATOM 872 N PRO A 61 -9.350 -7.071 4.729 1.00 0.00 N ATOM 873 CA PRO A 61 -9.697 -7.289 6.137 1.00 0.00 C ATOM 874 C PRO A 61 -8.898 -6.393 7.077 1.00 0.00 C ATOM 875 O PRO A 61 -7.695 -6.201 6.895 1.00 0.00 O ATOM 876 CB PRO A 61 -9.339 -8.760 6.367 1.00 0.00 C ATOM 877 CG PRO A 61 -8.290 -9.057 5.351 1.00 0.00 C ATOM 878 CD PRO A 61 -8.624 -8.214 4.152 1.00 0.00 C ATOM 0 HA PRO A 61 -10.742 -7.053 6.340 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.968 -8.924 7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.209 -9.404 6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.298 -8.817 5.733 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.285 -10.116 5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.726 -7.894 3.623 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.238 -8.760 3.436 1.00 0.00 H new ATOM 886 N LYS A 62 -9.572 -5.847 8.083 1.00 0.00 N ATOM 887 CA LYS A 62 -8.926 -4.972 9.053 1.00 0.00 C ATOM 888 C LYS A 62 -7.693 -5.642 9.652 1.00 0.00 C ATOM 889 O LYS A 62 -6.797 -4.970 10.162 1.00 0.00 O ATOM 890 CB LYS A 62 -9.907 -4.597 10.166 1.00 0.00 C ATOM 891 CG LYS A 62 -10.582 -5.795 10.811 1.00 0.00 C ATOM 892 CD LYS A 62 -11.867 -5.397 11.518 1.00 0.00 C ATOM 893 CE LYS A 62 -11.609 -5.011 12.966 1.00 0.00 C ATOM 894 NZ LYS A 62 -11.292 -3.563 13.106 1.00 0.00 N ATOM 0 H LYS A 62 -10.568 -5.996 8.248 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.611 -4.066 8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.375 -4.034 10.933 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.672 -3.936 9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.801 -6.544 10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.901 -6.257 11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.328 -4.560 10.994 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.575 -6.225 11.482 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.486 -5.251 13.567 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.782 -5.603 13.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.532 -3.440 13.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.982 -3.185 12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.140 -3.051 13.422 1.00 0.00 H new ATOM 908 N GLU A 63 -7.654 -6.969 9.585 1.00 0.00 N ATOM 909 CA GLU A 63 -6.530 -7.728 10.121 1.00 0.00 C ATOM 910 C GLU A 63 -6.662 -9.209 9.779 1.00 0.00 C ATOM 911 O GLU A 63 -7.766 -9.749 9.722 1.00 0.00 O ATOM 912 CB GLU A 63 -6.443 -7.549 11.638 1.00 0.00 C ATOM 913 CG GLU A 63 -7.397 -8.442 12.413 1.00 0.00 C ATOM 914 CD GLU A 63 -6.788 -9.788 12.756 1.00 0.00 C ATOM 915 OE1 GLU A 63 -5.550 -9.858 12.900 1.00 0.00 O ATOM 916 OE2 GLU A 63 -7.549 -10.770 12.881 1.00 0.00 O ATOM 0 H GLU A 63 -8.387 -7.540 9.165 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.616 -7.348 9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.423 -7.755 11.962 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.652 -6.508 11.885 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.695 -7.938 13.332 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.302 -8.596 11.826 1.00 0.00 H new ATOM 923 N GLY A 64 -5.525 -9.861 9.552 1.00 0.00 N ATOM 924 CA GLY A 64 -5.535 -11.273 9.217 1.00 0.00 C ATOM 925 C GLY A 64 -4.139 -11.859 9.136 1.00 0.00 C ATOM 926 O GLY A 64 -3.184 -11.277 9.651 1.00 0.00 O ATOM 0 H GLY A 64 -4.598 -9.437 9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.111 -11.817 9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.041 -11.413 8.262 1.00 0.00 H new ATOM 930 N ILE A 65 -4.020 -13.013 8.488 1.00 0.00 N ATOM 931 CA ILE A 65 -2.731 -13.677 8.342 1.00 0.00 C ATOM 932 C ILE A 65 -2.402 -13.920 6.873 1.00 0.00 C ATOM 933 O ILE A 65 -3.176 -14.545 6.148 1.00 0.00 O ATOM 934 CB ILE A 65 -2.702 -15.022 9.092 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.418 -14.895 10.438 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.267 -15.486 9.291 1.00 0.00 C ATOM 937 CD1 ILE A 65 -3.668 -16.224 11.117 1.00 0.00 C ATOM 0 H ILE A 65 -4.801 -13.507 8.056 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.983 -13.013 8.775 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.225 -15.767 8.493 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.823 -14.265 11.099 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.371 -14.388 10.287 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.263 -16.438 9.822 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.787 -15.610 8.320 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.722 -14.743 9.873 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.179 -16.058 12.065 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.289 -16.849 10.475 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.717 -16.724 11.300 1.00 0.00 H new ATOM 949 N ILE A 66 -1.247 -13.424 6.441 1.00 0.00 N ATOM 950 CA ILE A 66 -0.814 -13.590 5.059 1.00 0.00 C ATOM 951 C ILE A 66 0.178 -14.740 4.929 1.00 0.00 C ATOM 952 O ILE A 66 1.309 -14.654 5.406 1.00 0.00 O ATOM 953 CB ILE A 66 -0.165 -12.304 4.514 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.025 -11.086 4.861 1.00 0.00 C ATOM 955 CG2 ILE A 66 0.033 -12.407 3.009 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.535 -9.801 4.233 1.00 0.00 C ATOM 0 H ILE A 66 -0.595 -12.904 7.028 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.706 -13.814 4.474 1.00 0.00 H new ATOM 0 HB ILE A 66 0.812 -12.181 4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.049 -11.271 4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.049 -10.965 5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.493 -11.491 2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.681 -13.254 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.933 -12.550 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.192 -8.981 4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.478 -9.592 4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.537 -9.902 3.148 1.00 0.00 H new ATOM 968 N GLU A 67 -0.254 -15.816 4.278 1.00 0.00 N ATOM 969 CA GLU A 67 0.598 -16.984 4.084 1.00 0.00 C ATOM 970 C GLU A 67 1.919 -16.591 3.428 1.00 0.00 C ATOM 971 O GLU A 67 2.011 -15.599 2.705 1.00 0.00 O ATOM 972 CB GLU A 67 -0.119 -18.029 3.226 1.00 0.00 C ATOM 973 CG GLU A 67 -0.645 -17.479 1.911 1.00 0.00 C ATOM 974 CD GLU A 67 -1.751 -18.333 1.323 1.00 0.00 C ATOM 975 OE1 GLU A 67 -1.556 -19.562 1.210 1.00 0.00 O ATOM 976 OE2 GLU A 67 -2.812 -17.774 0.975 1.00 0.00 O ATOM 0 H GLU A 67 -1.188 -15.903 3.877 1.00 0.00 H new ATOM 0 HA GLU A 67 0.812 -17.413 5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.568 -18.850 3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.950 -18.445 3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.017 -16.467 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.175 -17.410 1.196 1.00 0.00 H new ATOM 983 N PRO A 68 2.967 -17.388 3.686 1.00 0.00 N ATOM 984 CA PRO A 68 4.301 -17.144 3.131 1.00 0.00 C ATOM 985 C PRO A 68 4.358 -17.392 1.627 1.00 0.00 C ATOM 986 O PRO A 68 3.748 -18.333 1.120 1.00 0.00 O ATOM 987 CB PRO A 68 5.183 -18.152 3.872 1.00 0.00 C ATOM 988 CG PRO A 68 4.254 -19.246 4.271 1.00 0.00 C ATOM 989 CD PRO A 68 2.929 -18.588 4.538 1.00 0.00 C ATOM 0 HA PRO A 68 4.613 -16.107 3.260 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.982 -18.525 3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.658 -17.698 4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.167 -19.992 3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.619 -19.763 5.158 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.096 -19.241 4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.813 -18.330 5.591 1.00 0.00 H new ATOM 997 N SER A 69 5.094 -16.541 0.919 1.00 0.00 N ATOM 998 CA SER A 69 5.228 -16.666 -0.527 1.00 0.00 C ATOM 999 C SER A 69 3.872 -16.525 -1.212 1.00 0.00 C ATOM 1000 O SER A 69 3.648 -17.075 -2.290 1.00 0.00 O ATOM 1001 CB SER A 69 5.857 -18.013 -0.888 1.00 0.00 C ATOM 1002 OG SER A 69 7.255 -18.000 -0.663 1.00 0.00 O ATOM 0 H SER A 69 5.607 -15.758 1.324 1.00 0.00 H new ATOM 0 HA SER A 69 5.878 -15.864 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.397 -18.803 -0.294 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.656 -18.243 -1.934 1.00 0.00 H new ATOM 0 HG SER A 69 7.633 -18.873 -0.900 1.00 0.00 H new ATOM 1008 N GLY A 70 2.970 -15.783 -0.578 1.00 0.00 N ATOM 1009 CA GLY A 70 1.647 -15.582 -1.139 1.00 0.00 C ATOM 1010 C GLY A 70 1.256 -14.118 -1.195 1.00 0.00 C ATOM 1011 O GLY A 70 2.114 -13.244 -1.318 1.00 0.00 O ATOM 0 H GLY A 70 3.132 -15.317 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.615 -16.002 -2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.916 -16.127 -0.542 1.00 0.00 H new ATOM 1015 N VAL A 71 -0.043 -13.850 -1.105 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.545 -12.482 -1.146 1.00 0.00 C ATOM 1017 C VAL A 71 -1.892 -12.370 -0.441 1.00 0.00 C ATOM 1018 O VAL A 71 -2.498 -13.377 -0.075 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.694 -11.982 -2.595 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.640 -12.049 -3.323 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.753 -12.789 -3.331 1.00 0.00 C ATOM 0 H VAL A 71 -0.766 -14.562 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 71 0.186 -11.861 -0.628 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.015 -10.941 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.515 -11.692 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.368 -11.424 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.994 -13.080 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.845 -12.422 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.464 -13.840 -3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.710 -12.684 -2.820 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.355 -11.138 -0.253 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.631 -10.895 0.409 1.00 0.00 C ATOM 1033 C GLN A 72 -4.348 -9.701 -0.213 1.00 0.00 C ATOM 1034 O GLN A 72 -3.846 -8.578 -0.182 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.416 -10.654 1.904 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.684 -10.263 2.646 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.780 -11.303 2.517 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.776 -12.316 3.216 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.726 -11.056 1.619 1.00 0.00 N ATOM 0 H GLN A 72 -1.866 -10.294 -0.550 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.255 -11.779 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.006 -11.558 2.354 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.672 -9.868 2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.452 -10.114 3.701 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.046 -9.309 2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.689 -10.203 1.061 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.490 -11.719 1.487 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.525 -9.952 -0.776 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.312 -8.898 -1.404 1.00 0.00 C ATOM 1050 C ALA A 73 -6.931 -7.977 -0.357 1.00 0.00 C ATOM 1051 O ALA A 73 -7.518 -8.441 0.621 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.395 -9.501 -2.285 1.00 0.00 C ATOM 0 H ALA A 73 -5.955 -10.876 -0.810 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.644 -8.302 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.975 -8.702 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.934 -10.111 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.053 -10.123 -1.678 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.794 -6.673 -0.569 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.340 -5.688 0.357 1.00 0.00 C ATOM 1060 C ILE A 74 -8.404 -4.829 -0.318 1.00 0.00 C ATOM 1061 O ILE A 74 -8.179 -4.281 -1.397 1.00 0.00 O ATOM 1062 CB ILE A 74 -6.238 -4.772 0.920 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -5.086 -5.610 1.480 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.806 -3.858 1.995 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.319 -6.088 2.896 1.00 0.00 C ATOM 0 H ILE A 74 -6.310 -6.274 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.792 -6.244 1.178 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.853 -4.152 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.929 -6.474 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.170 -5.020 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.014 -3.217 2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.596 -3.241 1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.215 -4.461 2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.463 -6.675 3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.446 -5.228 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.217 -6.706 2.928 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.561 -4.715 0.325 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.659 -3.920 -0.214 1.00 0.00 C ATOM 1079 C GLN A 75 -10.679 -2.528 0.407 1.00 0.00 C ATOM 1080 O GLN A 75 -10.975 -2.370 1.592 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.995 -4.623 0.036 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.085 -6.001 -0.598 1.00 0.00 C ATOM 1083 CD GLN A 75 -12.396 -5.943 -2.080 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -13.548 -5.768 -2.478 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -11.368 -6.090 -2.908 1.00 0.00 N ATOM 0 H GLN A 75 -9.763 -5.162 1.219 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.506 -3.816 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.152 -4.716 1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.802 -4.001 -0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.142 -6.527 -0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.857 -6.580 -0.091 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.429 -6.233 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.517 -6.060 -3.917 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.362 -1.521 -0.400 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.345 -0.141 0.071 1.00 0.00 C ATOM 1096 C ILE A 76 -11.541 0.637 -0.464 1.00 0.00 C ATOM 1097 O ILE A 76 -11.786 0.668 -1.670 1.00 0.00 O ATOM 1098 CB ILE A 76 -9.049 0.580 -0.345 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.828 -0.160 0.205 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.066 2.021 0.141 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.554 0.123 -0.559 1.00 0.00 C ATOM 0 H ILE A 76 -10.114 -1.635 -1.383 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.397 -0.178 1.159 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.986 0.585 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.685 0.118 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.024 -1.232 0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.144 2.518 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.918 2.542 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.148 2.038 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.731 -0.435 -0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.678 -0.181 -1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.334 1.190 -0.517 1.00 0.00 H new ATOM 1113 N SER A 77 -12.284 1.267 0.441 1.00 0.00 N ATOM 1114 CA SER A 77 -13.457 2.045 0.060 1.00 0.00 C ATOM 1115 C SER A 77 -13.357 3.473 0.589 1.00 0.00 C ATOM 1116 O SER A 77 -13.447 3.708 1.794 1.00 0.00 O ATOM 1117 CB SER A 77 -14.729 1.381 0.589 1.00 0.00 C ATOM 1118 OG SER A 77 -15.878 2.143 0.260 1.00 0.00 O ATOM 0 H SER A 77 -12.094 1.254 1.443 1.00 0.00 H new ATOM 0 HA SER A 77 -13.501 2.082 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.821 0.379 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.661 1.269 1.671 1.00 0.00 H new ATOM 0 HG SER A 77 -16.678 1.696 0.608 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.171 4.423 -0.321 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.058 5.828 0.053 1.00 0.00 C ATOM 1126 C PHE A 78 -14.351 6.578 -0.254 1.00 0.00 C ATOM 1127 O PHE A 78 -14.922 6.436 -1.335 1.00 0.00 O ATOM 1128 CB PHE A 78 -11.889 6.481 -0.686 1.00 0.00 C ATOM 1129 CG PHE A 78 -11.821 7.971 -0.503 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -11.883 8.530 0.764 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -11.696 8.812 -1.597 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -11.820 9.900 0.936 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -11.632 10.182 -1.430 1.00 0.00 C ATOM 1134 CZ PHE A 78 -11.696 10.727 -0.163 1.00 0.00 C ATOM 0 H PHE A 78 -13.095 4.246 -1.323 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.875 5.879 1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.956 6.037 -0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.971 6.257 -1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -11.982 7.888 1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -11.648 8.392 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -11.868 10.323 1.929 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.532 10.827 -2.291 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.649 11.798 -0.032 1.00 0.00 H new ATOM 1144 N SER A 79 -14.807 7.376 0.706 1.00 0.00 N ATOM 1145 CA SER A 79 -16.035 8.145 0.541 1.00 0.00 C ATOM 1146 C SER A 79 -16.116 9.266 1.573 1.00 0.00 C ATOM 1147 O SER A 79 -16.340 9.020 2.758 1.00 0.00 O ATOM 1148 CB SER A 79 -17.255 7.232 0.668 1.00 0.00 C ATOM 1149 OG SER A 79 -17.253 6.547 1.908 1.00 0.00 O ATOM 0 H SER A 79 -14.345 7.507 1.606 1.00 0.00 H new ATOM 0 HA SER A 79 -16.025 8.590 -0.454 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.166 7.823 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.260 6.511 -0.149 1.00 0.00 H new ATOM 0 HG SER A 79 -16.882 7.130 2.603 1.00 0.00 H new ATOM 1155 N SER A 80 -15.932 10.500 1.113 1.00 0.00 N ATOM 1156 CA SER A 80 -15.980 11.660 1.995 1.00 0.00 C ATOM 1157 C SER A 80 -16.748 12.806 1.344 1.00 0.00 C ATOM 1158 O SER A 80 -17.282 12.664 0.244 1.00 0.00 O ATOM 1159 CB SER A 80 -14.563 12.117 2.349 1.00 0.00 C ATOM 1160 OG SER A 80 -14.564 12.924 3.514 1.00 0.00 O ATOM 0 H SER A 80 -15.748 10.722 0.134 1.00 0.00 H new ATOM 0 HA SER A 80 -16.500 11.370 2.908 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.925 11.247 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.139 12.677 1.515 1.00 0.00 H new ATOM 0 HG SER A 80 -14.363 12.369 4.296 1.00 0.00 H new ATOM 1166 N ILE A 81 -16.799 13.942 2.032 1.00 0.00 N ATOM 1167 CA ILE A 81 -17.500 15.113 1.521 1.00 0.00 C ATOM 1168 C ILE A 81 -16.576 16.324 1.461 1.00 0.00 C ATOM 1169 O ILE A 81 -16.987 17.411 1.053 1.00 0.00 O ATOM 1170 CB ILE A 81 -18.725 15.459 2.389 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -18.328 15.529 3.865 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -19.829 14.433 2.180 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -19.314 16.292 4.721 1.00 0.00 C ATOM 0 H ILE A 81 -16.363 14.076 2.944 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.836 14.865 0.514 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.102 16.436 2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.229 14.516 4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.348 15.999 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.688 14.691 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.127 14.428 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.464 13.444 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.968 16.301 5.755 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -19.395 17.316 4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -20.290 15.810 4.669 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.326 16.129 1.867 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.343 17.204 1.856 1.00 0.00 C ATOM 1187 C ILE A 82 -13.664 17.315 0.495 1.00 0.00 C ATOM 1188 O ILE A 82 -13.000 16.382 0.042 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.267 16.995 2.938 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -13.880 17.136 4.332 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.128 17.986 2.751 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -14.460 15.847 4.870 1.00 0.00 C ATOM 0 H ILE A 82 -14.970 15.236 2.208 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.884 18.127 2.066 1.00 0.00 H new ATOM 0 HB ILE A 82 -12.865 15.987 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.116 17.497 5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -14.664 17.893 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.376 17.826 3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -11.677 17.841 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.514 19.003 2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.877 16.022 5.862 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -15.247 15.495 4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.675 15.094 4.934 1.00 0.00 H new ATOM 1204 N LEU A 83 -13.834 18.462 -0.153 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.237 18.697 -1.463 1.00 0.00 C ATOM 1206 C LEU A 83 -11.788 19.156 -1.327 1.00 0.00 C ATOM 1207 O LEU A 83 -11.323 19.459 -0.229 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.044 19.743 -2.234 1.00 0.00 C ATOM 1209 CG LEU A 83 -15.563 19.566 -2.214 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.237 20.646 -3.046 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -15.946 18.183 -2.720 1.00 0.00 C ATOM 0 H LEU A 83 -14.381 19.244 0.207 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.251 17.757 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -13.807 20.727 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.711 19.737 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 83 -15.907 19.662 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.317 20.504 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -15.990 21.626 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -15.887 20.583 -4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -17.030 18.075 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.589 18.058 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.493 17.424 -2.082 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.080 19.206 -2.451 1.00 0.00 N ATOM 1224 CA GLY A 84 -9.693 19.631 -2.436 1.00 0.00 C ATOM 1225 C GLY A 84 -8.734 18.475 -2.234 1.00 0.00 C ATOM 1226 O GLY A 84 -9.082 17.474 -1.608 1.00 0.00 O ATOM 0 H GLY A 84 -11.443 18.960 -3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.460 20.132 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.549 20.362 -1.640 1.00 0.00 H new ATOM 1230 N ASN A 85 -7.525 18.611 -2.767 1.00 0.00 N ATOM 1231 CA ASN A 85 -6.513 17.567 -2.645 1.00 0.00 C ATOM 1232 C ASN A 85 -6.338 17.148 -1.188 1.00 0.00 C ATOM 1233 O ASN A 85 -6.505 17.956 -0.274 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.178 18.052 -3.212 1.00 0.00 C ATOM 1235 CG ASN A 85 -5.356 18.979 -4.399 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -6.019 18.632 -5.377 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -4.764 20.165 -4.318 1.00 0.00 N ATOM 0 H ASN A 85 -7.221 19.434 -3.288 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.849 16.701 -3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.621 18.569 -2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.580 17.192 -3.513 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.849 20.831 -5.086 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.224 20.410 -3.488 1.00 0.00 H new ATOM 1244 N PHE A 86 -5.999 15.880 -0.979 1.00 0.00 N ATOM 1245 CA PHE A 86 -5.801 15.353 0.366 1.00 0.00 C ATOM 1246 C PHE A 86 -4.714 14.282 0.376 1.00 0.00 C ATOM 1247 O PHE A 86 -4.734 13.356 -0.434 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.109 14.773 0.907 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.555 13.530 0.193 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -6.928 12.317 0.429 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.600 13.573 -0.716 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.336 11.171 -0.227 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -9.012 12.430 -1.376 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.380 11.228 -1.130 1.00 0.00 C ATOM 0 H PHE A 86 -5.856 15.198 -1.724 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.483 16.175 1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.987 14.549 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -7.891 15.528 0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.111 12.267 1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.099 14.511 -0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.839 10.232 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.827 12.478 -2.083 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.701 10.333 -1.643 1.00 0.00 H new ATOM 1264 N GLU A 87 -3.767 14.417 1.299 1.00 0.00 N ATOM 1265 CA GLU A 87 -2.671 13.462 1.413 1.00 0.00 C ATOM 1266 C GLU A 87 -2.709 12.750 2.762 1.00 0.00 C ATOM 1267 O GLU A 87 -2.554 13.375 3.810 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.327 14.171 1.236 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.184 13.231 0.890 1.00 0.00 C ATOM 1270 CD GLU A 87 1.172 13.901 0.986 1.00 0.00 C ATOM 1271 OE1 GLU A 87 1.320 14.828 1.811 1.00 0.00 O ATOM 1272 OE2 GLU A 87 2.087 13.499 0.237 1.00 0.00 O ATOM 0 H GLU A 87 -3.737 15.178 1.978 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.787 12.718 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.421 14.920 0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.083 14.704 2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.209 12.372 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.326 12.850 -0.121 1.00 0.00 H new ATOM 1279 N GLU A 88 -2.917 11.437 2.726 1.00 0.00 N ATOM 1280 CA GLU A 88 -2.977 10.640 3.946 1.00 0.00 C ATOM 1281 C GLU A 88 -2.078 9.411 3.837 1.00 0.00 C ATOM 1282 O GLU A 88 -1.989 8.787 2.781 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.417 10.208 4.229 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.440 11.308 3.994 1.00 0.00 C ATOM 1285 CD GLU A 88 -6.662 11.167 4.881 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -7.542 10.345 4.551 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -6.738 11.879 5.904 1.00 0.00 O ATOM 0 H GLU A 88 -3.047 10.903 1.866 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.622 11.257 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.662 9.354 3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.490 9.871 5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.974 12.277 4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.750 11.293 2.949 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.414 9.072 4.938 1.00 0.00 N ATOM 1295 CA GLU A 89 -0.522 7.919 4.965 1.00 0.00 C ATOM 1296 C GLU A 89 -0.956 6.921 6.035 1.00 0.00 C ATOM 1297 O GLU A 89 -0.849 7.190 7.231 1.00 0.00 O ATOM 1298 CB GLU A 89 0.918 8.367 5.225 1.00 0.00 C ATOM 1299 CG GLU A 89 1.450 9.340 4.186 1.00 0.00 C ATOM 1300 CD GLU A 89 0.983 10.762 4.425 1.00 0.00 C ATOM 1301 OE1 GLU A 89 0.886 11.165 5.603 1.00 0.00 O ATOM 1302 OE2 GLU A 89 0.716 11.473 3.433 1.00 0.00 O ATOM 0 H GLU A 89 -1.477 9.578 5.821 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.573 7.429 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.972 8.833 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.563 7.489 5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.540 9.313 4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.130 9.018 3.195 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.446 5.767 5.594 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.898 4.728 6.512 1.00 0.00 C ATOM 1311 C PHE A 90 -0.747 3.802 6.895 1.00 0.00 C ATOM 1312 O PHE A 90 0.212 3.641 6.140 1.00 0.00 O ATOM 1313 CB PHE A 90 -3.031 3.917 5.879 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.266 4.726 5.603 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.372 5.479 4.445 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.321 4.734 6.502 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.508 6.225 4.188 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.458 5.477 6.250 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.551 6.224 5.092 1.00 0.00 C ATOM 0 H PHE A 90 -1.540 5.528 4.607 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.268 5.212 7.416 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.677 3.480 4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.289 3.090 6.541 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.558 5.484 3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.253 4.153 7.410 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.579 6.807 3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.274 5.474 6.958 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.439 6.807 4.894 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.850 3.197 8.073 1.00 0.00 N ATOM 1330 CA LEU A 91 0.182 2.287 8.558 1.00 0.00 C ATOM 1331 C LEU A 91 -0.402 0.909 8.852 1.00 0.00 C ATOM 1332 O LEU A 91 -1.524 0.790 9.345 1.00 0.00 O ATOM 1333 CB LEU A 91 0.838 2.854 9.818 1.00 0.00 C ATOM 1334 CG LEU A 91 1.592 4.174 9.646 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.246 4.590 10.954 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.632 4.054 8.542 1.00 0.00 C ATOM 0 H LEU A 91 -1.637 3.320 8.710 1.00 0.00 H new ATOM 0 HA LEU A 91 0.936 2.183 7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.065 2.996 10.573 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.533 2.110 10.208 1.00 0.00 H new ATOM 0 HG LEU A 91 0.876 4.945 9.361 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.778 5.531 10.812 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.480 4.718 11.719 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.950 3.820 11.270 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.159 5.002 8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.345 3.270 8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.139 3.804 7.603 1.00 0.00 H new ATOM 1348 N VAL A 92 0.368 -0.131 8.548 1.00 0.00 N ATOM 1349 CA VAL A 92 -0.071 -1.502 8.782 1.00 0.00 C ATOM 1350 C VAL A 92 0.838 -2.207 9.782 1.00 0.00 C ATOM 1351 O VAL A 92 2.013 -2.446 9.507 1.00 0.00 O ATOM 1352 CB VAL A 92 -0.102 -2.313 7.473 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -0.425 -3.772 7.756 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -1.107 -1.715 6.500 1.00 0.00 C ATOM 0 H VAL A 92 1.299 -0.050 8.139 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.080 -1.446 9.190 1.00 0.00 H new ATOM 0 HB VAL A 92 0.886 -2.267 7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.443 -4.329 6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.336 -4.192 8.414 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.400 -3.842 8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.116 -2.300 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.100 -1.729 6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.826 -0.687 6.273 1.00 0.00 H new ATOM 1364 N ASN A 93 0.286 -2.538 10.945 1.00 0.00 N ATOM 1365 CA ASN A 93 1.048 -3.216 11.988 1.00 0.00 C ATOM 1366 C ASN A 93 1.260 -4.685 11.638 1.00 0.00 C ATOM 1367 O ASN A 93 0.304 -5.419 11.385 1.00 0.00 O ATOM 1368 CB ASN A 93 0.327 -3.099 13.332 1.00 0.00 C ATOM 1369 CG ASN A 93 0.161 -1.658 13.776 1.00 0.00 C ATOM 1370 OD1 ASN A 93 1.131 -0.993 14.138 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -1.074 -1.170 13.750 1.00 0.00 N ATOM 0 H ASN A 93 -0.686 -2.348 11.189 1.00 0.00 H new ATOM 0 HA ASN A 93 2.023 -2.734 12.063 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.654 -3.568 13.257 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.886 -3.648 14.090 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.248 -0.207 14.038 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.848 -1.758 13.442 1.00 0.00 H new ATOM 1378 N VAL A 94 2.520 -5.109 11.625 1.00 0.00 N ATOM 1379 CA VAL A 94 2.858 -6.492 11.308 1.00 0.00 C ATOM 1380 C VAL A 94 3.268 -7.258 12.561 1.00 0.00 C ATOM 1381 O VAL A 94 3.706 -6.667 13.546 1.00 0.00 O ATOM 1382 CB VAL A 94 3.999 -6.567 10.276 1.00 0.00 C ATOM 1383 CG1 VAL A 94 4.498 -7.998 10.136 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.540 -6.020 8.933 1.00 0.00 C ATOM 0 H VAL A 94 3.323 -4.515 11.830 1.00 0.00 H new ATOM 0 HA VAL A 94 1.964 -6.949 10.884 1.00 0.00 H new ATOM 0 HB VAL A 94 4.826 -5.951 10.629 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.304 -8.032 9.403 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.868 -8.350 11.099 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.680 -8.638 9.806 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.359 -6.081 8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.696 -6.607 8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.236 -4.980 9.049 1.00 0.00 H new ATOM 1394 N ASN A 95 3.123 -8.578 12.514 1.00 0.00 N ATOM 1395 CA ASN A 95 3.478 -9.427 13.645 1.00 0.00 C ATOM 1396 C ASN A 95 4.888 -9.115 14.137 1.00 0.00 C ATOM 1397 O ASN A 95 5.866 -9.306 13.414 1.00 0.00 O ATOM 1398 CB ASN A 95 3.377 -10.903 13.254 1.00 0.00 C ATOM 1399 CG ASN A 95 4.684 -11.448 12.712 1.00 0.00 C ATOM 1400 OD1 ASN A 95 5.624 -11.701 13.465 1.00 0.00 O ATOM 1401 ND2 ASN A 95 4.749 -11.631 11.398 1.00 0.00 N ATOM 0 H ASN A 95 2.762 -9.083 11.705 1.00 0.00 H new ATOM 0 HA ASN A 95 2.776 -9.224 14.454 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.076 -11.487 14.124 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.596 -11.025 12.503 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.603 -11.995 10.975 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.945 -11.408 10.812 1.00 0.00 H new ATOM 1408 N GLY A 96 4.986 -8.635 15.373 1.00 0.00 N ATOM 1409 CA GLY A 96 6.280 -8.305 15.941 1.00 0.00 C ATOM 1410 C GLY A 96 7.247 -7.766 14.906 1.00 0.00 C ATOM 1411 O GLY A 96 8.299 -8.357 14.663 1.00 0.00 O ATOM 0 H GLY A 96 4.192 -8.469 15.991 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.149 -7.565 16.731 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.707 -9.194 16.405 1.00 0.00 H new ATOM 1415 N SER A 97 6.890 -6.642 14.293 1.00 0.00 N ATOM 1416 CA SER A 97 7.732 -6.027 13.274 1.00 0.00 C ATOM 1417 C SER A 97 8.335 -4.721 13.783 1.00 0.00 C ATOM 1418 O SER A 97 7.728 -3.992 14.568 1.00 0.00 O ATOM 1419 CB SER A 97 6.922 -5.766 12.003 1.00 0.00 C ATOM 1420 OG SER A 97 7.613 -4.892 11.127 1.00 0.00 O ATOM 0 H SER A 97 6.024 -6.139 14.484 1.00 0.00 H new ATOM 0 HA SER A 97 8.544 -6.717 13.044 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.721 -6.710 11.496 1.00 0.00 H new ATOM 0 HB3 SER A 97 5.957 -5.334 12.266 1.00 0.00 H new ATOM 0 HG SER A 97 7.049 -4.116 10.927 1.00 0.00 H new ATOM 1426 N PRO A 98 9.559 -4.417 13.326 1.00 0.00 N ATOM 1427 CA PRO A 98 10.271 -3.198 13.721 1.00 0.00 C ATOM 1428 C PRO A 98 9.635 -1.941 13.139 1.00 0.00 C ATOM 1429 O PRO A 98 9.568 -0.906 13.801 1.00 0.00 O ATOM 1430 CB PRO A 98 11.674 -3.405 13.143 1.00 0.00 C ATOM 1431 CG PRO A 98 11.478 -4.337 11.997 1.00 0.00 C ATOM 1432 CD PRO A 98 10.341 -5.240 12.388 1.00 0.00 C ATOM 0 HA PRO A 98 10.257 -3.049 14.801 1.00 0.00 H new ATOM 0 HB2 PRO A 98 12.110 -2.461 12.816 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.350 -3.828 13.886 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.245 -3.789 11.084 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.383 -4.912 11.802 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.748 -5.537 11.523 1.00 0.00 H new ATOM 0 HD3 PRO A 98 10.699 -6.156 12.859 1.00 0.00 H new ATOM 1440 N GLU A 99 9.169 -2.039 11.898 1.00 0.00 N ATOM 1441 CA GLU A 99 8.538 -0.907 11.228 1.00 0.00 C ATOM 1442 C GLU A 99 7.345 -1.365 10.394 1.00 0.00 C ATOM 1443 O GLU A 99 7.398 -2.372 9.688 1.00 0.00 O ATOM 1444 CB GLU A 99 9.550 -0.185 10.337 1.00 0.00 C ATOM 1445 CG GLU A 99 10.589 0.607 11.113 1.00 0.00 C ATOM 1446 CD GLU A 99 11.590 1.299 10.209 1.00 0.00 C ATOM 1447 OE1 GLU A 99 11.248 1.560 9.036 1.00 0.00 O ATOM 1448 OE2 GLU A 99 12.715 1.580 10.673 1.00 0.00 O ATOM 0 H GLU A 99 9.216 -2.889 11.337 1.00 0.00 H new ATOM 0 HA GLU A 99 8.181 -0.217 11.993 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.058 -0.918 9.711 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.016 0.490 9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.086 1.352 11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.119 -0.062 11.791 1.00 0.00 H new ATOM 1455 N PRO A 100 6.240 -0.608 10.478 1.00 0.00 N ATOM 1456 CA PRO A 100 5.012 -0.915 9.738 1.00 0.00 C ATOM 1457 C PRO A 100 5.169 -0.695 8.237 1.00 0.00 C ATOM 1458 O PRO A 100 6.219 -0.253 7.771 1.00 0.00 O ATOM 1459 CB PRO A 100 3.993 0.067 10.319 1.00 0.00 C ATOM 1460 CG PRO A 100 4.810 1.205 10.826 1.00 0.00 C ATOM 1461 CD PRO A 100 6.105 0.606 11.300 1.00 0.00 C ATOM 0 HA PRO A 100 4.724 -1.961 9.843 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.283 0.396 9.560 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.413 -0.392 11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.985 1.940 10.041 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.298 1.721 11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.942 1.288 11.150 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.073 0.370 12.364 1.00 0.00 H new ATOM 1469 N VAL A 101 4.118 -1.006 7.485 1.00 0.00 N ATOM 1470 CA VAL A 101 4.138 -0.840 6.037 1.00 0.00 C ATOM 1471 C VAL A 101 3.446 0.453 5.622 1.00 0.00 C ATOM 1472 O VAL A 101 2.250 0.464 5.329 1.00 0.00 O ATOM 1473 CB VAL A 101 3.457 -2.025 5.327 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.394 -1.784 3.826 1.00 0.00 C ATOM 1475 CG2 VAL A 101 4.188 -3.323 5.636 1.00 0.00 C ATOM 0 H VAL A 101 3.242 -1.374 7.855 1.00 0.00 H new ATOM 0 HA VAL A 101 5.185 -0.800 5.738 1.00 0.00 H new ATOM 0 HB VAL A 101 2.437 -2.111 5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.910 -2.632 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.823 -0.877 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.404 -1.670 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.693 -4.150 5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.220 -3.250 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.176 -3.500 6.711 1.00 0.00 H new ATOM 1485 N LYS A 102 4.206 1.543 5.599 1.00 0.00 N ATOM 1486 CA LYS A 102 3.667 2.843 5.218 1.00 0.00 C ATOM 1487 C LYS A 102 2.880 2.746 3.915 1.00 0.00 C ATOM 1488 O LYS A 102 3.233 1.977 3.020 1.00 0.00 O ATOM 1489 CB LYS A 102 4.799 3.863 5.067 1.00 0.00 C ATOM 1490 CG LYS A 102 4.363 5.297 5.313 1.00 0.00 C ATOM 1491 CD LYS A 102 5.546 6.190 5.643 1.00 0.00 C ATOM 1492 CE LYS A 102 5.120 7.402 6.457 1.00 0.00 C ATOM 1493 NZ LYS A 102 4.572 8.485 5.595 1.00 0.00 N ATOM 0 H LYS A 102 5.197 1.552 5.840 1.00 0.00 H new ATOM 0 HA LYS A 102 2.991 3.173 6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.599 3.611 5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.215 3.786 4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.852 5.680 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.645 5.325 6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.289 5.620 6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.023 6.520 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.367 7.103 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.974 7.781 7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.237 9.284 5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.437 8.125 4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.659 8.804 5.977 1.00 0.00 H new ATOM 1507 N LEU A 103 1.811 3.529 3.815 1.00 0.00 N ATOM 1508 CA LEU A 103 0.974 3.532 2.620 1.00 0.00 C ATOM 1509 C LEU A 103 0.414 4.925 2.351 1.00 0.00 C ATOM 1510 O LEU A 103 -0.485 5.391 3.053 1.00 0.00 O ATOM 1511 CB LEU A 103 -0.171 2.530 2.774 1.00 0.00 C ATOM 1512 CG LEU A 103 -1.033 2.301 1.532 1.00 0.00 C ATOM 1513 CD1 LEU A 103 -0.187 1.770 0.385 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.173 1.342 1.844 1.00 0.00 C ATOM 0 H LEU A 103 1.504 4.170 4.547 1.00 0.00 H new ATOM 0 HA LEU A 103 1.593 3.240 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.249 1.573 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.818 2.869 3.583 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.460 3.257 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.818 1.613 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.594 2.491 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.270 0.824 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.776 1.190 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.765 0.386 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.795 1.762 2.634 1.00 0.00 H new ATOM 1526 N THR A 104 0.949 5.586 1.330 1.00 0.00 N ATOM 1527 CA THR A 104 0.503 6.925 0.967 1.00 0.00 C ATOM 1528 C THR A 104 -0.577 6.872 -0.108 1.00 0.00 C ATOM 1529 O THR A 104 -0.343 6.381 -1.213 1.00 0.00 O ATOM 1530 CB THR A 104 1.673 7.790 0.461 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.808 7.628 1.319 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.277 9.258 0.407 1.00 0.00 C ATOM 0 H THR A 104 1.693 5.215 0.739 1.00 0.00 H new ATOM 0 HA THR A 104 0.092 7.376 1.870 1.00 0.00 H new ATOM 0 HB THR A 104 1.930 7.462 -0.546 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.548 8.180 0.990 1.00 0.00 H new ATOM 0 HG21 THR A 104 2.119 9.849 0.047 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.431 9.382 -0.269 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.997 9.596 1.405 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.759 7.381 0.222 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.874 7.393 -0.717 1.00 0.00 C ATOM 1542 C ILE A 105 -3.198 8.813 -1.168 1.00 0.00 C ATOM 1543 O ILE A 105 -3.600 9.654 -0.364 1.00 0.00 O ATOM 1544 CB ILE A 105 -4.136 6.762 -0.100 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.862 5.313 0.307 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.297 6.832 -1.081 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -4.959 4.704 1.151 1.00 0.00 C ATOM 0 H ILE A 105 -1.969 7.790 1.132 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.566 6.802 -1.580 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.406 7.325 0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.730 4.711 -0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.924 5.271 0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.182 6.382 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.504 7.874 -1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.038 6.290 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.697 3.676 1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.077 5.283 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.895 4.714 0.593 1.00 0.00 H new ATOM 1559 N ARG A 106 -3.022 9.073 -2.459 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.296 10.391 -3.018 1.00 0.00 C ATOM 1561 C ARG A 106 -4.567 10.371 -3.861 1.00 0.00 C ATOM 1562 O ARG A 106 -4.792 9.446 -4.642 1.00 0.00 O ATOM 1563 CB ARG A 106 -2.115 10.864 -3.867 1.00 0.00 C ATOM 1564 CG ARG A 106 -2.086 10.258 -5.261 1.00 0.00 C ATOM 1565 CD ARG A 106 -0.991 10.878 -6.115 1.00 0.00 C ATOM 1566 NE ARG A 106 -1.383 12.179 -6.649 1.00 0.00 N ATOM 1567 CZ ARG A 106 -2.146 12.332 -7.726 1.00 0.00 C ATOM 1568 NH1 ARG A 106 -2.596 11.271 -8.380 1.00 0.00 N ATOM 1569 NH2 ARG A 106 -2.460 13.550 -8.150 1.00 0.00 N ATOM 0 H ARG A 106 -2.691 8.388 -3.138 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.441 11.086 -2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.152 11.950 -3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.186 10.616 -3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.927 9.182 -5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.052 10.405 -5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.086 10.989 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.750 10.206 -6.939 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.053 13.016 -6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.357 10.334 -8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.182 11.392 -9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.116 14.369 -7.649 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.046 13.667 -8.977 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.397 11.397 -3.698 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.636 11.477 -4.450 1.00 0.00 C ATOM 1585 C GLY A 107 -7.266 12.854 -4.385 1.00 0.00 C ATOM 1586 O GLY A 107 -7.177 13.536 -3.363 1.00 0.00 O ATOM 0 H GLY A 107 -5.233 12.174 -3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.443 11.218 -5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.340 10.740 -4.064 1.00 0.00 H new ATOM 1590 N CYS A 108 -7.903 13.263 -5.476 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.548 14.570 -5.539 1.00 0.00 C ATOM 1592 C CYS A 108 -10.065 14.431 -5.455 1.00 0.00 C ATOM 1593 O CYS A 108 -10.673 13.674 -6.212 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.161 15.292 -6.830 1.00 0.00 C ATOM 1595 SG CYS A 108 -9.167 16.750 -7.192 1.00 0.00 S ATOM 0 H CYS A 108 -7.987 12.709 -6.329 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.206 15.158 -4.687 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -7.115 15.593 -6.766 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.241 14.593 -7.662 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.762 17.292 -8.302 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.671 15.167 -4.529 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.117 15.126 -4.345 1.00 0.00 C ATOM 1603 C VAL A 109 -12.793 16.299 -5.046 1.00 0.00 C ATOM 1604 O VAL A 109 -12.531 17.460 -4.728 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.494 15.147 -2.852 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.005 15.124 -2.682 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -11.849 13.978 -2.123 1.00 0.00 C ATOM 0 H VAL A 109 -10.183 15.799 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.466 14.193 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.118 16.071 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.252 15.139 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.439 15.998 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.408 14.219 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.126 14.009 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.193 13.041 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.765 14.045 -2.215 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.665 15.989 -5.999 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.381 17.018 -6.744 1.00 0.00 C ATOM 1619 C ILE A 110 -15.887 16.895 -6.543 1.00 0.00 C ATOM 1620 O ILE A 110 -16.372 15.905 -5.995 1.00 0.00 O ATOM 1621 CB ILE A 110 -14.067 16.944 -8.250 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.530 15.603 -8.824 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.579 17.144 -8.491 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -14.492 15.547 -10.335 1.00 0.00 C ATOM 0 H ILE A 110 -13.893 15.034 -6.274 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.043 17.980 -6.358 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.608 17.742 -8.759 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -13.900 14.809 -8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -15.547 15.404 -8.487 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.373 17.089 -9.560 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.277 18.121 -8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.019 16.366 -7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -14.833 14.568 -10.672 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -15.144 16.319 -10.744 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.471 15.714 -10.680 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.623 17.907 -6.991 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.068 17.892 -6.853 1.00 0.00 C ATOM 1638 C GLY A 111 -18.760 18.744 -7.898 1.00 0.00 C ATOM 1639 O GLY A 111 -18.118 19.393 -8.725 1.00 0.00 O ATOM 0 H GLY A 111 -16.245 18.737 -7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.426 16.866 -6.930 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.339 18.250 -5.860 1.00 0.00 H new ATOM 1643 N PRO A 112 -20.101 18.747 -7.872 1.00 0.00 N ATOM 1644 CA PRO A 112 -20.909 19.520 -8.819 1.00 0.00 C ATOM 1645 C PRO A 112 -20.803 21.023 -8.581 1.00 0.00 C ATOM 1646 O PRO A 112 -21.315 21.823 -9.363 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.335 19.035 -8.548 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.309 18.555 -7.138 1.00 0.00 C ATOM 1649 CD PRO A 112 -20.931 17.996 -6.915 1.00 0.00 C ATOM 0 HA PRO A 112 -20.582 19.372 -9.848 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -23.059 19.839 -8.679 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.619 18.236 -9.233 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.516 19.370 -6.445 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -23.071 17.793 -6.971 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.597 18.147 -5.888 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -20.896 16.924 -7.107 1.00 0.00 H new