USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 972 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 116 SER OG : rot 130:sc= 0.00497 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -0.746 K(o=-1.6,f=-4.9!) USER MOD Set 2.2: A 100 MET CE :methyl 162:sc= -0.884 (180deg=-0.0686) USER MOD Set 2.3: A 112 MET CE :methyl -150:sc= -0.0133 (180deg=-0.0697) USER MOD Set 3.1: A 66 LYS NZ :NH3+ -110:sc= 0.454 (180deg=-0.707) USER MOD Set 3.2: A 70 MET CE :methyl -171:sc= 0 (180deg=0) USER MOD Set 4.1: A 23 GLN : amide:sc= -2.46! C(o=-1.8!,f=-2!) USER MOD Set 4.2: A 42 LYS NZ :NH3+ 159:sc= 0.646 (180deg=0.44) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 10 LYS NZ :NH3+ -155:sc= 0.0398 (180deg=0) USER MOD Single : A 13 SER OG : rot 80:sc= 1.03 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -3.81 K(o=-3.8,f=-1.5) USER MOD Single : A 27 SER OG : rot 180:sc= -0.337 USER MOD Single : A 34 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0106) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0.703 (180deg=0.701) USER MOD Single : A 44 THR OG1 : rot 75:sc= 0.493 USER MOD Single : A 56 HIS : no HD1:sc= -0.279 X(o=-0.28,f=0.052) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0391 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.19) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.844 K(o=-0.84,f=-0.22) USER MOD Single : A 77 THR OG1 : rot 180:sc=0.000893 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 152:sc= 0.734 (180deg=0.329) USER MOD Single : A 81 GLN : amide:sc= 0.166 X(o=0.17,f=-0.16) USER MOD Single : A 84 MET CE :methyl 160:sc= -1.81 (180deg=-2.28) USER MOD Single : A 86 LYS NZ :NH3+ -159:sc= 0.688 (180deg=0.452) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -28:sc= 0.517 USER MOD Single : A 101 THR OG1 : rot -34:sc= 0.782 USER MOD Single : A 107 MET CE :methyl 143:sc= -0.0849 (180deg=-0.447) USER MOD Single : A 113 THR OG1 : rot -120:sc= -0.115 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 5 -9.542 -1.175 2.307 1.00 0.00 N ATOM 72 CA GLU A 5 -8.775 -1.235 3.567 1.00 0.00 C ATOM 73 C GLU A 5 -8.111 0.137 3.838 1.00 0.00 C ATOM 74 O GLU A 5 -7.618 0.362 4.918 1.00 0.00 O ATOM 75 CB GLU A 5 -7.678 -2.367 3.498 1.00 0.00 C ATOM 76 CG GLU A 5 -7.752 -3.421 4.622 1.00 0.00 C ATOM 77 CD GLU A 5 -9.032 -4.276 4.552 1.00 0.00 C ATOM 78 OE1 GLU A 5 -9.090 -5.196 3.708 1.00 0.00 O ATOM 79 OE2 GLU A 5 -9.977 -4.040 5.332 1.00 0.00 O ATOM 0 HA GLU A 5 -9.458 -1.472 4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.764 -2.876 2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.694 -1.899 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.881 -4.073 4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.708 -2.919 5.589 1.00 0.00 H new ATOM 86 N LYS A 6 -8.068 0.984 2.782 1.00 0.00 N ATOM 87 CA LYS A 6 -7.487 2.365 2.888 1.00 0.00 C ATOM 88 C LYS A 6 -7.992 3.152 4.142 1.00 0.00 C ATOM 89 O LYS A 6 -7.245 3.961 4.708 1.00 0.00 O ATOM 90 CB LYS A 6 -7.797 3.198 1.617 1.00 0.00 C ATOM 91 CG LYS A 6 -7.286 2.588 0.289 1.00 0.00 C ATOM 92 CD LYS A 6 -7.592 3.482 -0.943 1.00 0.00 C ATOM 93 CE LYS A 6 -9.097 3.763 -1.126 1.00 0.00 C ATOM 94 NZ LYS A 6 -9.373 4.619 -2.301 1.00 0.00 N ATOM 0 H LYS A 6 -8.421 0.750 1.854 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.411 2.222 2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.876 3.333 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.359 4.189 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.210 2.429 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.744 1.609 0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.062 4.429 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.207 2.998 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.629 2.818 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.485 4.246 -0.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.398 4.779 -2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.888 5.532 -2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.028 4.149 -3.162 1.00 0.00 H new ATOM 108 N ASN A 7 -9.243 2.871 4.574 1.00 0.00 N ATOM 109 CA ASN A 7 -9.839 3.516 5.775 1.00 0.00 C ATOM 110 C ASN A 7 -9.241 2.910 7.064 1.00 0.00 C ATOM 111 O ASN A 7 -8.997 3.613 8.038 1.00 0.00 O ATOM 112 CB ASN A 7 -11.379 3.327 5.785 1.00 0.00 C ATOM 113 CG ASN A 7 -12.096 3.991 4.611 1.00 0.00 C ATOM 114 OD1 ASN A 7 -11.653 5.012 4.094 1.00 0.00 O ATOM 115 ND2 ASN A 7 -13.205 3.410 4.174 1.00 0.00 N ATOM 0 H ASN A 7 -9.861 2.204 4.112 1.00 0.00 H new ATOM 0 HA ASN A 7 -9.609 4.581 5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.604 2.260 5.778 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.778 3.730 6.716 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.715 3.811 3.387 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.548 2.562 4.625 1.00 0.00 H new ATOM 122 N GLU A 8 -9.081 1.578 7.029 1.00 0.00 N ATOM 123 CA GLU A 8 -8.444 0.783 8.121 1.00 0.00 C ATOM 124 C GLU A 8 -6.964 1.181 8.330 1.00 0.00 C ATOM 125 O GLU A 8 -6.513 1.380 9.467 1.00 0.00 O ATOM 126 CB GLU A 8 -8.553 -0.750 7.832 1.00 0.00 C ATOM 127 CG GLU A 8 -9.955 -1.373 8.038 1.00 0.00 C ATOM 128 CD GLU A 8 -11.101 -0.743 7.215 1.00 0.00 C ATOM 129 OE1 GLU A 8 -10.899 -0.409 6.029 1.00 0.00 O ATOM 130 OE2 GLU A 8 -12.226 -0.615 7.741 1.00 0.00 O ATOM 0 H GLU A 8 -9.388 1.007 6.242 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.986 1.007 9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.243 -0.930 6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.845 -1.274 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.899 -2.434 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.211 -1.302 9.095 1.00 0.00 H new ATOM 137 N ILE A 9 -6.215 1.251 7.216 1.00 0.00 N ATOM 138 CA ILE A 9 -4.810 1.699 7.223 1.00 0.00 C ATOM 139 C ILE A 9 -4.700 3.151 7.731 1.00 0.00 C ATOM 140 O ILE A 9 -3.800 3.463 8.504 1.00 0.00 O ATOM 141 CB ILE A 9 -4.143 1.546 5.801 1.00 0.00 C ATOM 142 CG1 ILE A 9 -4.181 0.046 5.329 1.00 0.00 C ATOM 143 CG2 ILE A 9 -2.687 2.104 5.779 1.00 0.00 C ATOM 144 CD1 ILE A 9 -3.448 -0.945 6.242 1.00 0.00 C ATOM 0 H ILE A 9 -6.563 1.001 6.290 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.263 1.054 7.911 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.725 2.143 5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.222 -0.265 5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.747 -0.015 4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.265 1.979 4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.699 3.163 6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.078 1.561 6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.533 -1.951 5.830 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.396 -0.668 6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.894 -0.922 7.236 1.00 0.00 H new ATOM 156 N LYS A 10 -5.639 4.013 7.308 1.00 0.00 N ATOM 157 CA LYS A 10 -5.706 5.418 7.781 1.00 0.00 C ATOM 158 C LYS A 10 -5.913 5.448 9.317 1.00 0.00 C ATOM 159 O LYS A 10 -5.255 6.203 10.019 1.00 0.00 O ATOM 160 CB LYS A 10 -6.839 6.182 7.024 1.00 0.00 C ATOM 161 CG LYS A 10 -6.865 7.732 7.190 1.00 0.00 C ATOM 162 CD LYS A 10 -7.525 8.232 8.496 1.00 0.00 C ATOM 163 CE LYS A 10 -7.467 9.760 8.646 1.00 0.00 C ATOM 164 NZ LYS A 10 -8.045 10.214 9.933 1.00 0.00 N ATOM 0 H LYS A 10 -6.367 3.767 6.637 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.766 5.925 7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.753 5.954 5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.799 5.787 7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.842 8.105 7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.395 8.166 6.342 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.566 7.909 8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.029 7.769 9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.431 10.092 8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.007 10.226 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.377 11.195 9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.845 9.601 10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.319 10.165 10.676 1.00 0.00 H new ATOM 178 N ARG A 11 -6.872 4.630 9.778 1.00 0.00 N ATOM 179 CA ARG A 11 -7.188 4.420 11.211 1.00 0.00 C ATOM 180 C ARG A 11 -5.919 4.135 12.070 1.00 0.00 C ATOM 181 O ARG A 11 -5.667 4.849 13.045 1.00 0.00 O ATOM 182 CB ARG A 11 -8.226 3.269 11.352 1.00 0.00 C ATOM 183 CG ARG A 11 -8.645 2.927 12.799 1.00 0.00 C ATOM 184 CD ARG A 11 -9.653 1.761 12.881 1.00 0.00 C ATOM 185 NE ARG A 11 -10.893 2.014 12.107 1.00 0.00 N ATOM 186 CZ ARG A 11 -12.132 1.630 12.470 1.00 0.00 C ATOM 187 NH1 ARG A 11 -12.348 1.049 13.639 1.00 0.00 N ATOM 188 NH2 ARG A 11 -13.156 1.865 11.670 1.00 0.00 N ATOM 0 H ARG A 11 -7.466 4.081 9.156 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.615 5.346 11.596 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.119 3.537 10.787 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.813 2.372 10.890 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.757 2.672 13.377 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.084 3.811 13.262 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.179 0.851 12.512 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.912 1.584 13.925 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.800 2.521 11.227 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.571 0.886 14.279 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.292 0.764 13.900 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.008 2.337 10.778 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.095 1.575 11.944 1.00 0.00 H new ATOM 202 N LEU A 12 -5.145 3.085 11.716 1.00 0.00 N ATOM 203 CA LEU A 12 -3.910 2.709 12.473 1.00 0.00 C ATOM 204 C LEU A 12 -2.778 3.757 12.334 1.00 0.00 C ATOM 205 O LEU A 12 -2.004 3.965 13.272 1.00 0.00 O ATOM 206 CB LEU A 12 -3.442 1.267 12.083 1.00 0.00 C ATOM 207 CG LEU A 12 -3.151 0.973 10.562 1.00 0.00 C ATOM 208 CD1 LEU A 12 -1.679 1.257 10.158 1.00 0.00 C ATOM 209 CD2 LEU A 12 -3.572 -0.464 10.166 1.00 0.00 C ATOM 0 H LEU A 12 -5.344 2.481 10.918 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.167 2.701 13.532 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.535 1.046 12.646 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.205 0.565 12.419 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.768 1.673 9.999 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.543 1.035 9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.447 2.306 10.342 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.012 0.629 10.749 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.356 -0.629 9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.017 -1.184 10.767 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.640 -0.592 10.342 1.00 0.00 H new ATOM 221 N SER A 13 -2.636 4.330 11.127 1.00 0.00 N ATOM 222 CA SER A 13 -1.721 5.479 10.901 1.00 0.00 C ATOM 223 C SER A 13 -2.006 6.643 11.883 1.00 0.00 C ATOM 224 O SER A 13 -1.087 7.171 12.496 1.00 0.00 O ATOM 225 CB SER A 13 -1.821 5.965 9.441 1.00 0.00 C ATOM 226 OG SER A 13 -1.428 4.939 8.538 1.00 0.00 O ATOM 0 H SER A 13 -3.137 4.024 10.293 1.00 0.00 H new ATOM 0 HA SER A 13 -0.704 5.134 11.090 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.844 6.273 9.225 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.188 6.841 9.301 1.00 0.00 H new ATOM 0 HG SER A 13 -2.171 4.312 8.412 1.00 0.00 H new ATOM 232 N ASP A 14 -3.291 7.023 11.986 1.00 0.00 N ATOM 233 CA ASP A 14 -3.792 8.048 12.944 1.00 0.00 C ATOM 234 C ASP A 14 -3.476 7.651 14.413 1.00 0.00 C ATOM 235 O ASP A 14 -3.156 8.497 15.243 1.00 0.00 O ATOM 236 CB ASP A 14 -5.333 8.191 12.738 1.00 0.00 C ATOM 237 CG ASP A 14 -5.969 9.420 13.426 1.00 0.00 C ATOM 238 OD1 ASP A 14 -6.152 9.410 14.662 1.00 0.00 O ATOM 239 OD2 ASP A 14 -6.313 10.397 12.717 1.00 0.00 O ATOM 0 H ASP A 14 -4.028 6.627 11.403 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.293 8.998 12.754 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.539 8.244 11.669 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.820 7.291 13.112 1.00 0.00 H new ATOM 244 N ARG A 15 -3.661 6.350 14.684 1.00 0.00 N ATOM 245 CA ARG A 15 -3.316 5.731 15.999 1.00 0.00 C ATOM 246 C ARG A 15 -1.865 6.087 16.403 1.00 0.00 C ATOM 247 O ARG A 15 -1.629 6.715 17.450 1.00 0.00 O ATOM 248 CB ARG A 15 -3.521 4.189 15.995 1.00 0.00 C ATOM 249 CG ARG A 15 -3.316 3.495 17.363 1.00 0.00 C ATOM 250 CD ARG A 15 -4.254 4.047 18.448 1.00 0.00 C ATOM 251 NE ARG A 15 -4.063 3.376 19.748 1.00 0.00 N ATOM 252 CZ ARG A 15 -4.485 3.847 20.933 1.00 0.00 C ATOM 253 NH1 ARG A 15 -5.080 5.029 21.018 1.00 0.00 N ATOM 254 NH2 ARG A 15 -4.291 3.140 22.037 1.00 0.00 N ATOM 0 H ARG A 15 -4.051 5.690 14.011 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.001 6.144 16.740 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.530 3.973 15.643 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.832 3.748 15.275 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.484 2.424 17.252 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.282 3.624 17.681 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.081 5.117 18.565 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.289 3.925 18.127 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.571 2.483 19.747 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.221 5.590 20.178 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.396 5.377 21.923 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.820 2.236 21.988 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.612 3.500 22.936 1.00 0.00 H new ATOM 268 N LEU A 16 -0.921 5.743 15.511 1.00 0.00 N ATOM 269 CA LEU A 16 0.513 5.989 15.745 1.00 0.00 C ATOM 270 C LEU A 16 0.794 7.505 15.741 1.00 0.00 C ATOM 271 O LEU A 16 1.617 7.962 16.512 1.00 0.00 O ATOM 272 CB LEU A 16 1.375 5.214 14.686 1.00 0.00 C ATOM 273 CG LEU A 16 2.945 5.144 14.894 1.00 0.00 C ATOM 274 CD1 LEU A 16 3.679 6.440 14.464 1.00 0.00 C ATOM 275 CD2 LEU A 16 3.313 4.761 16.352 1.00 0.00 C ATOM 0 H LEU A 16 -1.125 5.293 14.619 1.00 0.00 H new ATOM 0 HA LEU A 16 0.797 5.610 16.727 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.001 4.191 14.638 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.189 5.667 13.712 1.00 0.00 H new ATOM 0 HG LEU A 16 3.294 4.353 14.231 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.750 6.325 14.633 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.496 6.628 13.406 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.308 7.280 15.051 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.397 4.723 16.456 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.909 5.506 17.037 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.892 3.784 16.589 1.00 0.00 H new ATOM 287 N ASP A 17 0.141 8.250 14.828 1.00 0.00 N ATOM 288 CA ASP A 17 0.280 9.726 14.730 1.00 0.00 C ATOM 289 C ASP A 17 -0.036 10.434 16.070 1.00 0.00 C ATOM 290 O ASP A 17 0.766 11.221 16.567 1.00 0.00 O ATOM 291 CB ASP A 17 -0.650 10.262 13.612 1.00 0.00 C ATOM 292 CG ASP A 17 -0.676 11.795 13.511 1.00 0.00 C ATOM 293 OD1 ASP A 17 0.300 12.378 12.991 1.00 0.00 O ATOM 294 OD2 ASP A 17 -1.661 12.422 13.961 1.00 0.00 O ATOM 0 H ASP A 17 -0.496 7.853 14.138 1.00 0.00 H new ATOM 0 HA ASP A 17 1.319 9.946 14.487 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.329 9.849 12.656 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.663 9.901 13.791 1.00 0.00 H new ATOM 299 N ALA A 18 -1.226 10.181 16.609 1.00 0.00 N ATOM 300 CA ALA A 18 -1.638 10.635 17.949 1.00 0.00 C ATOM 301 C ALA A 18 -0.682 10.160 19.056 1.00 0.00 C ATOM 302 O ALA A 18 -0.481 10.880 20.037 1.00 0.00 O ATOM 303 CB ALA A 18 -3.072 10.181 18.233 1.00 0.00 C ATOM 0 H ALA A 18 -1.948 9.647 16.125 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.596 11.724 17.954 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.371 10.519 19.225 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.743 10.607 17.487 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.125 9.093 18.190 1.00 0.00 H new ATOM 309 N ILE A 19 -0.071 8.965 18.884 1.00 0.00 N ATOM 310 CA ILE A 19 0.856 8.408 19.886 1.00 0.00 C ATOM 311 C ILE A 19 2.226 9.115 19.835 1.00 0.00 C ATOM 312 O ILE A 19 2.739 9.489 20.881 1.00 0.00 O ATOM 313 CB ILE A 19 0.977 6.832 19.813 1.00 0.00 C ATOM 314 CG1 ILE A 19 -0.369 6.202 20.328 1.00 0.00 C ATOM 315 CG2 ILE A 19 2.203 6.285 20.618 1.00 0.00 C ATOM 316 CD1 ILE A 19 -0.425 4.693 20.362 1.00 0.00 C ATOM 0 H ILE A 19 -0.205 8.374 18.064 1.00 0.00 H new ATOM 0 HA ILE A 19 0.423 8.614 20.865 1.00 0.00 H new ATOM 0 HB ILE A 19 1.151 6.545 18.776 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.560 6.575 21.334 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.180 6.561 19.695 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.238 5.199 20.534 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.122 6.710 20.215 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.104 6.565 21.667 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.399 4.373 20.733 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.273 4.301 19.356 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.357 4.315 21.021 1.00 0.00 H new ATOM 328 N ARG A 20 2.811 9.326 18.640 1.00 0.00 N ATOM 329 CA ARG A 20 4.087 10.048 18.470 1.00 0.00 C ATOM 330 C ARG A 20 3.958 11.511 18.934 1.00 0.00 C ATOM 331 O ARG A 20 4.907 12.047 19.494 1.00 0.00 O ATOM 332 CB ARG A 20 4.579 9.997 16.982 1.00 0.00 C ATOM 333 CG ARG A 20 3.730 10.834 16.008 1.00 0.00 C ATOM 334 CD ARG A 20 4.191 10.810 14.546 1.00 0.00 C ATOM 335 NE ARG A 20 3.342 11.709 13.730 1.00 0.00 N ATOM 336 CZ ARG A 20 3.746 12.435 12.676 1.00 0.00 C ATOM 337 NH1 ARG A 20 4.994 12.384 12.241 1.00 0.00 N ATOM 338 NH2 ARG A 20 2.887 13.227 12.066 1.00 0.00 N ATOM 0 H ARG A 20 2.410 8.999 17.761 1.00 0.00 H new ATOM 0 HA ARG A 20 4.829 9.548 19.092 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.611 10.347 16.940 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.580 8.960 16.647 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.701 10.479 16.052 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.726 11.868 16.353 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.233 11.122 14.480 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.137 9.793 14.156 1.00 0.00 H new ATOM 0 HE ARG A 20 2.359 11.783 13.994 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.673 11.783 12.709 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.277 12.945 11.438 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.924 13.285 12.396 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.186 13.782 11.264 1.00 0.00 H new ATOM 352 N HIS A 21 2.783 12.146 18.690 1.00 0.00 N ATOM 353 CA HIS A 21 2.506 13.552 19.050 1.00 0.00 C ATOM 354 C HIS A 21 2.341 13.729 20.564 1.00 0.00 C ATOM 355 O HIS A 21 2.943 14.622 21.158 1.00 0.00 O ATOM 356 CB HIS A 21 1.215 14.005 18.314 1.00 0.00 C ATOM 357 CG HIS A 21 0.968 15.495 18.329 1.00 0.00 C ATOM 358 ND1 HIS A 21 0.123 16.108 19.220 1.00 0.00 N ATOM 359 CD2 HIS A 21 1.469 16.488 17.552 1.00 0.00 C ATOM 360 CE1 HIS A 21 0.110 17.405 18.999 1.00 0.00 C ATOM 361 NE2 HIS A 21 0.918 17.663 17.992 1.00 0.00 N ATOM 0 H HIS A 21 1.995 11.687 18.232 1.00 0.00 H new ATOM 0 HA HIS A 21 3.353 14.166 18.745 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.267 13.670 17.278 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.360 13.504 18.768 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.171 16.374 16.739 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -0.466 18.134 19.550 1.00 0.00 H new ATOM 0 HE2 HIS A 21 1.104 18.587 17.603 1.00 0.00 H new ATOM 370 N GLN A 22 1.516 12.847 21.157 1.00 0.00 N ATOM 371 CA GLN A 22 1.273 12.841 22.626 1.00 0.00 C ATOM 372 C GLN A 22 2.599 12.591 23.363 1.00 0.00 C ATOM 373 O GLN A 22 2.813 13.097 24.461 1.00 0.00 O ATOM 374 CB GLN A 22 0.195 11.786 23.053 1.00 0.00 C ATOM 375 CG GLN A 22 0.703 10.337 23.145 1.00 0.00 C ATOM 376 CD GLN A 22 -0.355 9.288 23.467 1.00 0.00 C ATOM 377 OE1 GLN A 22 -1.373 9.571 24.090 1.00 0.00 O ATOM 378 NE2 GLN A 22 -0.083 8.047 23.091 1.00 0.00 N ATOM 0 H GLN A 22 1.003 12.127 20.649 1.00 0.00 H new ATOM 0 HA GLN A 22 0.876 13.818 22.902 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.210 12.075 24.023 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.629 11.822 22.340 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.173 10.075 22.197 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.479 10.291 23.909 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.773 7.847 22.574 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.730 7.292 23.319 1.00 0.00 H new ATOM 387 N GLN A 23 3.486 11.810 22.723 1.00 0.00 N ATOM 388 CA GLN A 23 4.817 11.453 23.209 1.00 0.00 C ATOM 389 C GLN A 23 5.818 12.594 22.963 1.00 0.00 C ATOM 390 O GLN A 23 6.771 12.737 23.710 1.00 0.00 O ATOM 391 CB GLN A 23 5.242 10.157 22.454 1.00 0.00 C ATOM 392 CG GLN A 23 5.977 9.107 23.277 1.00 0.00 C ATOM 393 CD GLN A 23 7.443 9.379 23.493 1.00 0.00 C ATOM 394 OE1 GLN A 23 8.114 10.012 22.677 1.00 0.00 O ATOM 395 NE2 GLN A 23 7.959 8.863 24.580 1.00 0.00 N ATOM 0 H GLN A 23 3.280 11.396 21.814 1.00 0.00 H new ATOM 0 HA GLN A 23 4.803 11.282 24.285 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.348 9.697 22.033 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.878 10.442 21.616 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.491 9.024 24.249 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.871 8.141 22.784 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.367 8.346 25.230 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.953 8.978 24.777 1.00 0.00 H new ATOM 404 N ALA A 24 5.596 13.363 21.874 1.00 0.00 N ATOM 405 CA ALA A 24 6.415 14.542 21.500 1.00 0.00 C ATOM 406 C ALA A 24 6.264 15.689 22.505 1.00 0.00 C ATOM 407 O ALA A 24 7.260 16.317 22.882 1.00 0.00 O ATOM 408 CB ALA A 24 6.073 15.017 20.082 1.00 0.00 C ATOM 0 H ALA A 24 4.834 13.182 21.221 1.00 0.00 H new ATOM 0 HA ALA A 24 7.458 14.227 21.520 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.686 15.882 19.830 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.270 14.214 19.372 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.020 15.293 20.035 1.00 0.00 H new ATOM 414 N ASP A 25 5.005 15.975 22.911 1.00 0.00 N ATOM 415 CA ASP A 25 4.732 16.932 24.016 1.00 0.00 C ATOM 416 C ASP A 25 5.349 16.450 25.351 1.00 0.00 C ATOM 417 O ASP A 25 5.449 17.219 26.304 1.00 0.00 O ATOM 418 CB ASP A 25 3.205 17.138 24.187 1.00 0.00 C ATOM 419 CG ASP A 25 2.535 17.753 22.949 1.00 0.00 C ATOM 420 OD1 ASP A 25 2.722 18.963 22.703 1.00 0.00 O ATOM 421 OD2 ASP A 25 1.819 17.038 22.212 1.00 0.00 O ATOM 0 H ASP A 25 4.169 15.563 22.497 1.00 0.00 H new ATOM 0 HA ASP A 25 5.197 17.881 23.751 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.738 16.178 24.406 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.026 17.783 25.047 1.00 0.00 H new ATOM 426 N LEU A 26 5.736 15.165 25.387 1.00 0.00 N ATOM 427 CA LEU A 26 6.462 14.610 26.543 1.00 0.00 C ATOM 428 C LEU A 26 7.958 14.493 26.249 1.00 0.00 C ATOM 429 O LEU A 26 8.396 14.436 25.096 1.00 0.00 O ATOM 430 CB LEU A 26 5.917 13.228 26.953 1.00 0.00 C ATOM 431 CG LEU A 26 4.398 13.161 27.274 1.00 0.00 C ATOM 432 CD1 LEU A 26 4.032 11.795 27.868 1.00 0.00 C ATOM 433 CD2 LEU A 26 3.939 14.320 28.196 1.00 0.00 C ATOM 0 H LEU A 26 5.561 14.496 24.637 1.00 0.00 H new ATOM 0 HA LEU A 26 6.308 15.304 27.370 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.129 12.523 26.149 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.468 12.888 27.830 1.00 0.00 H new ATOM 0 HG LEU A 26 3.861 13.282 26.333 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.964 11.767 28.086 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.277 11.010 27.153 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.595 11.636 28.788 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.870 14.229 28.391 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.485 14.273 29.138 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.138 15.274 27.708 1.00 0.00 H new ATOM 445 N SER A 27 8.714 14.436 27.331 1.00 0.00 N ATOM 446 CA SER A 27 10.150 14.204 27.324 1.00 0.00 C ATOM 447 C SER A 27 10.473 13.289 28.500 1.00 0.00 C ATOM 448 O SER A 27 9.683 13.194 29.451 1.00 0.00 O ATOM 449 CB SER A 27 10.912 15.538 27.440 1.00 0.00 C ATOM 450 OG SER A 27 12.315 15.339 27.516 1.00 0.00 O ATOM 0 H SER A 27 8.334 14.554 28.270 1.00 0.00 H new ATOM 0 HA SER A 27 10.458 13.737 26.389 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.680 16.165 26.579 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.573 16.075 28.326 1.00 0.00 H new ATOM 0 HG SER A 27 12.765 16.207 27.587 1.00 0.00 H new ATOM 456 N LEU A 28 11.617 12.597 28.416 1.00 0.00 N ATOM 457 CA LEU A 28 12.159 11.809 29.538 1.00 0.00 C ATOM 458 C LEU A 28 12.402 12.715 30.763 1.00 0.00 C ATOM 459 O LEU A 28 12.329 12.261 31.904 1.00 0.00 O ATOM 460 CB LEU A 28 13.470 11.062 29.141 1.00 0.00 C ATOM 461 CG LEU A 28 14.766 11.923 28.877 1.00 0.00 C ATOM 462 CD1 LEU A 28 16.018 11.023 28.757 1.00 0.00 C ATOM 463 CD2 LEU A 28 14.626 12.823 27.629 1.00 0.00 C ATOM 0 H LEU A 28 12.192 12.566 27.574 1.00 0.00 H new ATOM 0 HA LEU A 28 11.418 11.053 29.798 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.700 10.348 29.932 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.265 10.484 28.240 1.00 0.00 H new ATOM 0 HG LEU A 28 14.889 12.578 29.740 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.896 11.643 28.575 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.154 10.464 29.683 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.888 10.327 27.928 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.543 13.396 27.489 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.448 12.202 26.751 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.788 13.507 27.766 1.00 0.00 H new ATOM 475 N VAL A 29 12.674 14.007 30.476 1.00 0.00 N ATOM 476 CA VAL A 29 12.886 15.056 31.482 1.00 0.00 C ATOM 477 C VAL A 29 11.592 15.314 32.285 1.00 0.00 C ATOM 478 O VAL A 29 11.563 15.120 33.506 1.00 0.00 O ATOM 479 CB VAL A 29 13.374 16.397 30.793 1.00 0.00 C ATOM 480 CG1 VAL A 29 13.578 17.547 31.820 1.00 0.00 C ATOM 481 CG2 VAL A 29 14.662 16.154 29.962 1.00 0.00 C ATOM 0 H VAL A 29 12.753 14.350 29.519 1.00 0.00 H new ATOM 0 HA VAL A 29 13.659 14.713 32.170 1.00 0.00 H new ATOM 0 HB VAL A 29 12.583 16.716 30.115 1.00 0.00 H new ATOM 0 HG11 VAL A 29 13.912 18.444 31.300 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.636 17.752 32.328 1.00 0.00 H new ATOM 0 HG13 VAL A 29 14.329 17.251 32.553 1.00 0.00 H new ATOM 0 HG21 VAL A 29 14.978 17.089 29.499 1.00 0.00 H new ATOM 0 HG22 VAL A 29 15.453 15.788 30.616 1.00 0.00 H new ATOM 0 HG23 VAL A 29 14.461 15.415 29.187 1.00 0.00 H new ATOM 491 N GLU A 30 10.516 15.715 31.578 1.00 0.00 N ATOM 492 CA GLU A 30 9.281 16.246 32.213 1.00 0.00 C ATOM 493 C GLU A 30 8.330 15.124 32.697 1.00 0.00 C ATOM 494 O GLU A 30 7.712 15.238 33.762 1.00 0.00 O ATOM 495 CB GLU A 30 8.548 17.193 31.222 1.00 0.00 C ATOM 496 CG GLU A 30 8.034 16.506 29.941 1.00 0.00 C ATOM 497 CD GLU A 30 7.464 17.478 28.905 1.00 0.00 C ATOM 498 OE1 GLU A 30 6.368 18.029 29.131 1.00 0.00 O ATOM 499 OE2 GLU A 30 8.124 17.712 27.874 1.00 0.00 O ATOM 0 H GLU A 30 10.473 15.683 30.559 1.00 0.00 H new ATOM 0 HA GLU A 30 9.582 16.803 33.100 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.704 17.653 31.736 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.226 17.998 30.940 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.851 15.945 29.488 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.263 15.784 30.211 1.00 0.00 H new ATOM 506 N ALA A 31 8.209 14.054 31.899 1.00 0.00 N ATOM 507 CA ALA A 31 7.286 12.937 32.180 1.00 0.00 C ATOM 508 C ALA A 31 8.017 11.618 31.927 1.00 0.00 C ATOM 509 O ALA A 31 7.858 11.025 30.879 1.00 0.00 O ATOM 510 CB ALA A 31 6.008 13.064 31.321 1.00 0.00 C ATOM 0 H ALA A 31 8.746 13.935 31.040 1.00 0.00 H new ATOM 0 HA ALA A 31 6.970 12.964 33.223 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.338 12.233 31.540 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.507 14.004 31.551 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.276 13.045 30.265 1.00 0.00 H new ATOM 516 N ALA A 32 8.836 11.197 32.906 1.00 0.00 N ATOM 517 CA ALA A 32 9.781 10.067 32.760 1.00 0.00 C ATOM 518 C ALA A 32 9.065 8.740 32.425 1.00 0.00 C ATOM 519 O ALA A 32 9.352 8.126 31.392 1.00 0.00 O ATOM 520 CB ALA A 32 10.636 9.931 34.035 1.00 0.00 C ATOM 0 H ALA A 32 8.864 11.631 33.828 1.00 0.00 H new ATOM 0 HA ALA A 32 10.433 10.286 31.915 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.329 9.098 33.921 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.198 10.851 34.196 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.986 9.748 34.891 1.00 0.00 H new ATOM 526 N ASP A 33 8.128 8.318 33.303 1.00 0.00 N ATOM 527 CA ASP A 33 7.375 7.053 33.149 1.00 0.00 C ATOM 528 C ASP A 33 6.485 7.079 31.897 1.00 0.00 C ATOM 529 O ASP A 33 6.595 6.202 31.048 1.00 0.00 O ATOM 530 CB ASP A 33 6.504 6.776 34.405 1.00 0.00 C ATOM 531 CG ASP A 33 5.646 5.499 34.284 1.00 0.00 C ATOM 532 OD1 ASP A 33 6.187 4.393 34.489 1.00 0.00 O ATOM 533 OD2 ASP A 33 4.433 5.595 33.975 1.00 0.00 O ATOM 0 H ASP A 33 7.872 8.845 34.138 1.00 0.00 H new ATOM 0 HA ASP A 33 8.105 6.251 33.036 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.153 6.688 35.276 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.849 7.630 34.580 1.00 0.00 H new ATOM 538 N LYS A 34 5.553 8.053 31.862 1.00 0.00 N ATOM 539 CA LYS A 34 4.667 8.302 30.702 1.00 0.00 C ATOM 540 C LYS A 34 5.429 8.255 29.348 1.00 0.00 C ATOM 541 O LYS A 34 4.968 7.614 28.403 1.00 0.00 O ATOM 542 CB LYS A 34 3.908 9.665 30.893 1.00 0.00 C ATOM 543 CG LYS A 34 2.365 9.580 30.763 1.00 0.00 C ATOM 544 CD LYS A 34 1.917 9.022 29.398 1.00 0.00 C ATOM 545 CE LYS A 34 0.397 8.978 29.227 1.00 0.00 C ATOM 546 NZ LYS A 34 -0.240 8.038 30.176 1.00 0.00 N ATOM 0 H LYS A 34 5.392 8.693 32.640 1.00 0.00 H new ATOM 0 HA LYS A 34 3.936 7.495 30.661 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.153 10.065 31.877 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.281 10.377 30.157 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.971 8.946 31.558 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.937 10.572 30.904 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.347 9.634 28.605 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.318 8.016 29.276 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.014 9.977 29.375 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.155 8.682 28.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.263 8.000 29.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.169 7.090 30.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.074 8.363 31.150 1.00 0.00 H new ATOM 560 N TYR A 35 6.616 8.885 29.302 1.00 0.00 N ATOM 561 CA TYR A 35 7.490 8.878 28.110 1.00 0.00 C ATOM 562 C TYR A 35 7.928 7.438 27.811 1.00 0.00 C ATOM 563 O TYR A 35 7.764 6.966 26.698 1.00 0.00 O ATOM 564 CB TYR A 35 8.729 9.785 28.342 1.00 0.00 C ATOM 565 CG TYR A 35 9.754 9.852 27.191 1.00 0.00 C ATOM 566 CD1 TYR A 35 10.817 8.941 27.099 1.00 0.00 C ATOM 567 CD2 TYR A 35 9.653 10.825 26.198 1.00 0.00 C ATOM 568 CE1 TYR A 35 11.734 9.013 26.070 1.00 0.00 C ATOM 569 CE2 TYR A 35 10.574 10.896 25.171 1.00 0.00 C ATOM 570 CZ TYR A 35 11.601 9.983 25.105 1.00 0.00 C ATOM 571 OH TYR A 35 12.509 10.047 24.069 1.00 0.00 O ATOM 0 H TYR A 35 6.998 9.413 30.087 1.00 0.00 H new ATOM 0 HA TYR A 35 6.938 9.270 27.256 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.379 10.797 28.547 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.244 9.438 29.238 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.920 8.169 27.847 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.841 11.536 26.232 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.553 8.310 26.023 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.488 11.668 24.420 1.00 0.00 H new ATOM 0 HH TYR A 35 12.273 10.788 23.472 1.00 0.00 H new ATOM 581 N ALA A 36 8.436 6.767 28.863 1.00 0.00 N ATOM 582 CA ALA A 36 8.990 5.402 28.772 1.00 0.00 C ATOM 583 C ALA A 36 7.958 4.413 28.204 1.00 0.00 C ATOM 584 O ALA A 36 8.239 3.714 27.228 1.00 0.00 O ATOM 585 CB ALA A 36 9.505 4.938 30.148 1.00 0.00 C ATOM 0 H ALA A 36 8.474 7.158 29.804 1.00 0.00 H new ATOM 0 HA ALA A 36 9.832 5.425 28.080 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.910 3.930 30.064 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.287 5.616 30.491 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.683 4.940 30.864 1.00 0.00 H new ATOM 591 N GLU A 37 6.753 4.372 28.797 1.00 0.00 N ATOM 592 CA GLU A 37 5.644 3.512 28.380 1.00 0.00 C ATOM 593 C GLU A 37 5.163 3.843 26.964 1.00 0.00 C ATOM 594 O GLU A 37 5.041 2.962 26.156 1.00 0.00 O ATOM 595 CB GLU A 37 4.475 3.655 29.385 1.00 0.00 C ATOM 596 CG GLU A 37 4.819 3.258 30.832 1.00 0.00 C ATOM 597 CD GLU A 37 5.125 1.755 30.996 1.00 0.00 C ATOM 598 OE1 GLU A 37 4.192 0.935 30.888 1.00 0.00 O ATOM 599 OE2 GLU A 37 6.293 1.389 31.243 1.00 0.00 O ATOM 0 H GLU A 37 6.522 4.954 29.602 1.00 0.00 H new ATOM 0 HA GLU A 37 6.002 2.483 28.369 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.132 4.690 29.378 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.642 3.041 29.042 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.681 3.836 31.165 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.986 3.525 31.482 1.00 0.00 H new ATOM 606 N LEU A 38 4.800 5.107 26.748 1.00 0.00 N ATOM 607 CA LEU A 38 4.434 5.581 25.381 1.00 0.00 C ATOM 608 C LEU A 38 5.478 5.174 24.290 1.00 0.00 C ATOM 609 O LEU A 38 5.094 4.922 23.153 1.00 0.00 O ATOM 610 CB LEU A 38 4.178 7.089 25.338 1.00 0.00 C ATOM 611 CG LEU A 38 2.916 7.610 26.080 1.00 0.00 C ATOM 612 CD1 LEU A 38 2.786 9.131 25.893 1.00 0.00 C ATOM 613 CD2 LEU A 38 1.629 6.873 25.633 1.00 0.00 C ATOM 0 H LEU A 38 4.747 5.821 27.475 1.00 0.00 H new ATOM 0 HA LEU A 38 3.501 5.071 25.143 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.049 7.593 25.756 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.106 7.391 24.293 1.00 0.00 H new ATOM 0 HG LEU A 38 3.040 7.397 27.142 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.899 9.487 26.416 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.669 9.624 26.299 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.698 9.361 24.831 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.774 7.271 26.179 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.478 7.021 24.564 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.729 5.808 25.842 1.00 0.00 H new ATOM 625 N GLU A 39 6.782 5.176 24.650 1.00 0.00 N ATOM 626 CA GLU A 39 7.878 4.606 23.810 1.00 0.00 C ATOM 627 C GLU A 39 7.711 3.083 23.580 1.00 0.00 C ATOM 628 O GLU A 39 8.021 2.588 22.508 1.00 0.00 O ATOM 629 CB GLU A 39 9.271 4.884 24.452 1.00 0.00 C ATOM 630 CG GLU A 39 9.786 6.332 24.337 1.00 0.00 C ATOM 631 CD GLU A 39 10.131 6.779 22.903 1.00 0.00 C ATOM 632 OE1 GLU A 39 9.211 7.000 22.088 1.00 0.00 O ATOM 633 OE2 GLU A 39 11.333 6.913 22.583 1.00 0.00 O ATOM 0 H GLU A 39 7.112 5.572 25.531 1.00 0.00 H new ATOM 0 HA GLU A 39 7.817 5.102 22.841 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.223 4.618 25.508 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.002 4.221 23.990 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.030 7.005 24.741 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.674 6.438 24.960 1.00 0.00 H new ATOM 640 N LYS A 40 7.269 2.367 24.621 1.00 0.00 N ATOM 641 CA LYS A 40 7.006 0.898 24.561 1.00 0.00 C ATOM 642 C LYS A 40 5.753 0.585 23.688 1.00 0.00 C ATOM 643 O LYS A 40 5.802 -0.278 22.819 1.00 0.00 O ATOM 644 CB LYS A 40 6.831 0.328 25.992 1.00 0.00 C ATOM 645 CG LYS A 40 8.049 0.555 26.908 1.00 0.00 C ATOM 646 CD LYS A 40 7.810 0.095 28.362 1.00 0.00 C ATOM 647 CE LYS A 40 8.999 0.428 29.284 1.00 0.00 C ATOM 648 NZ LYS A 40 8.800 -0.053 30.671 1.00 0.00 N ATOM 0 H LYS A 40 7.079 2.777 25.536 1.00 0.00 H new ATOM 0 HA LYS A 40 7.865 0.417 24.093 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.954 0.786 26.450 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.634 -0.742 25.925 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.907 0.020 26.501 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.304 1.615 26.906 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.909 0.572 28.748 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.632 -0.980 28.376 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.906 -0.018 28.876 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.152 1.507 29.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.613 0.227 31.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.932 0.365 31.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.715 -1.090 30.670 1.00 0.00 H new ATOM 662 N GLU A 41 4.636 1.272 24.001 1.00 0.00 N ATOM 663 CA GLU A 41 3.383 1.279 23.192 1.00 0.00 C ATOM 664 C GLU A 41 3.659 1.586 21.705 1.00 0.00 C ATOM 665 O GLU A 41 3.093 0.960 20.808 1.00 0.00 O ATOM 666 CB GLU A 41 2.408 2.348 23.766 1.00 0.00 C ATOM 667 CG GLU A 41 1.986 2.119 25.234 1.00 0.00 C ATOM 668 CD GLU A 41 1.067 0.899 25.426 1.00 0.00 C ATOM 669 OE1 GLU A 41 1.573 -0.223 25.618 1.00 0.00 O ATOM 670 OE2 GLU A 41 -0.174 1.061 25.370 1.00 0.00 O ATOM 0 H GLU A 41 4.570 1.851 24.838 1.00 0.00 H new ATOM 0 HA GLU A 41 2.940 0.285 23.251 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.878 3.328 23.687 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.512 2.373 23.145 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.880 1.990 25.845 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.475 3.010 25.600 1.00 0.00 H new ATOM 677 N LYS A 42 4.542 2.561 21.494 1.00 0.00 N ATOM 678 CA LYS A 42 5.000 2.961 20.161 1.00 0.00 C ATOM 679 C LYS A 42 5.807 1.810 19.526 1.00 0.00 C ATOM 680 O LYS A 42 5.486 1.368 18.447 1.00 0.00 O ATOM 681 CB LYS A 42 5.857 4.242 20.255 1.00 0.00 C ATOM 682 CG LYS A 42 6.276 4.850 18.903 1.00 0.00 C ATOM 683 CD LYS A 42 7.214 6.065 19.070 1.00 0.00 C ATOM 684 CE LYS A 42 6.595 7.201 19.916 1.00 0.00 C ATOM 685 NZ LYS A 42 7.535 8.341 20.098 1.00 0.00 N ATOM 0 H LYS A 42 4.964 3.101 22.249 1.00 0.00 H new ATOM 0 HA LYS A 42 4.137 3.175 19.531 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.300 4.992 20.816 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.756 4.017 20.829 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.775 4.088 18.304 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.386 5.155 18.353 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.143 5.737 19.537 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.473 6.454 18.085 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.684 7.556 19.434 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.307 6.810 20.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.999 9.198 20.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.204 8.120 20.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.060 8.503 19.215 1.00 0.00 H new ATOM 699 N ALA A 43 6.821 1.332 20.274 1.00 0.00 N ATOM 700 CA ALA A 43 7.733 0.229 19.870 1.00 0.00 C ATOM 701 C ALA A 43 6.972 -1.036 19.421 1.00 0.00 C ATOM 702 O ALA A 43 7.300 -1.626 18.390 1.00 0.00 O ATOM 703 CB ALA A 43 8.726 -0.110 20.996 1.00 0.00 C ATOM 0 H ALA A 43 7.039 1.706 21.198 1.00 0.00 H new ATOM 0 HA ALA A 43 8.292 0.591 19.007 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.380 -0.920 20.673 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.326 0.770 21.229 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.176 -0.421 21.885 1.00 0.00 H new ATOM 709 N THR A 44 5.924 -1.424 20.172 1.00 0.00 N ATOM 710 CA THR A 44 5.045 -2.564 19.900 1.00 0.00 C ATOM 711 C THR A 44 4.157 -2.297 18.674 1.00 0.00 C ATOM 712 O THR A 44 3.927 -3.200 17.879 1.00 0.00 O ATOM 713 CB THR A 44 4.176 -2.896 21.162 1.00 0.00 C ATOM 714 OG1 THR A 44 5.045 -3.105 22.294 1.00 0.00 O ATOM 715 CG2 THR A 44 3.285 -4.144 20.961 1.00 0.00 C ATOM 0 H THR A 44 5.660 -0.925 21.022 1.00 0.00 H new ATOM 0 HA THR A 44 5.667 -3.430 19.674 1.00 0.00 H new ATOM 0 HB THR A 44 3.512 -2.049 21.334 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.382 -2.241 22.612 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.706 -4.327 21.866 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.607 -3.976 20.124 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.913 -5.010 20.751 1.00 0.00 H new ATOM 723 N LEU A 45 3.605 -1.066 18.601 1.00 0.00 N ATOM 724 CA LEU A 45 2.983 -0.613 17.329 1.00 0.00 C ATOM 725 C LEU A 45 3.930 -0.862 16.137 1.00 0.00 C ATOM 726 O LEU A 45 3.556 -1.564 15.229 1.00 0.00 O ATOM 727 CB LEU A 45 2.487 0.859 17.324 1.00 0.00 C ATOM 728 CG LEU A 45 1.069 1.123 17.924 1.00 0.00 C ATOM 729 CD1 LEU A 45 0.671 2.598 17.756 1.00 0.00 C ATOM 730 CD2 LEU A 45 0.004 0.190 17.291 1.00 0.00 C ATOM 0 H LEU A 45 3.574 -0.393 19.367 1.00 0.00 H new ATOM 0 HA LEU A 45 2.084 -1.220 17.228 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.208 1.463 17.875 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.493 1.217 16.294 1.00 0.00 H new ATOM 0 HG LEU A 45 1.114 0.899 18.990 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.320 2.758 18.181 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.394 3.231 18.271 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.657 2.853 16.696 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.971 0.400 17.731 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.038 0.363 16.216 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.272 -0.849 17.481 1.00 0.00 H new ATOM 742 N GLU A 46 5.183 -0.387 16.198 1.00 0.00 N ATOM 743 CA GLU A 46 6.189 -0.522 15.126 1.00 0.00 C ATOM 744 C GLU A 46 6.553 -2.012 14.870 1.00 0.00 C ATOM 745 O GLU A 46 6.849 -2.401 13.739 1.00 0.00 O ATOM 746 CB GLU A 46 7.446 0.305 15.500 1.00 0.00 C ATOM 747 CG GLU A 46 7.140 1.776 15.859 1.00 0.00 C ATOM 748 CD GLU A 46 8.382 2.592 16.248 1.00 0.00 C ATOM 749 OE1 GLU A 46 8.825 2.504 17.417 1.00 0.00 O ATOM 750 OE2 GLU A 46 8.917 3.324 15.390 1.00 0.00 O ATOM 0 H GLU A 46 5.537 0.114 17.013 1.00 0.00 H new ATOM 0 HA GLU A 46 5.769 -0.136 14.197 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.943 -0.170 16.346 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.146 0.283 14.665 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.655 2.254 15.008 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.429 1.798 16.685 1.00 0.00 H new ATOM 757 N ALA A 47 6.384 -2.843 15.919 1.00 0.00 N ATOM 758 CA ALA A 47 6.671 -4.292 15.935 1.00 0.00 C ATOM 759 C ALA A 47 5.601 -5.043 15.126 1.00 0.00 C ATOM 760 O ALA A 47 5.910 -5.713 14.135 1.00 0.00 O ATOM 761 CB ALA A 47 6.767 -4.818 17.381 1.00 0.00 C ATOM 0 H ALA A 47 6.029 -2.509 16.815 1.00 0.00 H new ATOM 0 HA ALA A 47 7.639 -4.469 15.466 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.979 -5.887 17.366 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.568 -4.297 17.905 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.822 -4.643 17.895 1.00 0.00 H new ATOM 767 N GLU A 48 4.350 -4.868 15.562 1.00 0.00 N ATOM 768 CA GLU A 48 3.110 -5.370 14.960 1.00 0.00 C ATOM 769 C GLU A 48 2.941 -4.870 13.512 1.00 0.00 C ATOM 770 O GLU A 48 2.898 -5.650 12.585 1.00 0.00 O ATOM 771 CB GLU A 48 1.932 -4.854 15.850 1.00 0.00 C ATOM 772 CG GLU A 48 0.506 -5.051 15.290 1.00 0.00 C ATOM 773 CD GLU A 48 -0.004 -6.495 15.420 1.00 0.00 C ATOM 774 OE1 GLU A 48 -0.491 -6.864 16.507 1.00 0.00 O ATOM 775 OE2 GLU A 48 0.114 -7.275 14.455 1.00 0.00 O ATOM 0 H GLU A 48 4.163 -4.331 16.409 1.00 0.00 H new ATOM 0 HA GLU A 48 3.129 -6.459 14.916 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.991 -5.354 16.817 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.083 -3.790 16.032 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.178 -4.383 15.814 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.493 -4.761 14.239 1.00 0.00 H new ATOM 782 N ILE A 49 2.820 -3.538 13.414 1.00 0.00 N ATOM 783 CA ILE A 49 2.517 -2.895 12.114 1.00 0.00 C ATOM 784 C ILE A 49 3.563 -3.298 11.036 1.00 0.00 C ATOM 785 O ILE A 49 3.160 -3.672 9.930 1.00 0.00 O ATOM 786 CB ILE A 49 2.265 -1.331 12.141 1.00 0.00 C ATOM 787 CG1 ILE A 49 3.593 -0.520 12.306 1.00 0.00 C ATOM 788 CG2 ILE A 49 1.213 -0.965 13.228 1.00 0.00 C ATOM 789 CD1 ILE A 49 3.416 0.974 12.508 1.00 0.00 C ATOM 0 H ILE A 49 2.923 -2.892 14.196 1.00 0.00 H new ATOM 0 HA ILE A 49 1.541 -3.295 11.840 1.00 0.00 H new ATOM 0 HB ILE A 49 1.856 -1.043 11.172 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.143 -0.923 13.156 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.210 -0.681 11.422 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.053 0.113 13.231 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.272 -1.470 13.009 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.575 -1.281 14.206 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.393 1.445 12.612 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.898 1.399 11.648 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.830 1.152 13.409 1.00 0.00 H new ATOM 801 N ALA A 50 4.898 -3.302 11.339 1.00 0.00 N ATOM 802 CA ALA A 50 5.933 -3.809 10.406 1.00 0.00 C ATOM 803 C ALA A 50 5.882 -5.339 10.203 1.00 0.00 C ATOM 804 O ALA A 50 6.279 -5.817 9.152 1.00 0.00 O ATOM 805 CB ALA A 50 7.324 -3.401 10.886 1.00 0.00 C ATOM 0 H ALA A 50 5.273 -2.958 12.223 1.00 0.00 H new ATOM 0 HA ALA A 50 5.719 -3.354 9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.074 -3.780 10.192 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.389 -2.314 10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.504 -3.818 11.877 1.00 0.00 H new ATOM 811 N ARG A 51 5.449 -6.094 11.231 1.00 0.00 N ATOM 812 CA ARG A 51 5.234 -7.565 11.129 1.00 0.00 C ATOM 813 C ARG A 51 4.168 -7.867 10.051 1.00 0.00 C ATOM 814 O ARG A 51 4.366 -8.688 9.153 1.00 0.00 O ATOM 815 CB ARG A 51 4.807 -8.183 12.491 1.00 0.00 C ATOM 816 CG ARG A 51 4.871 -9.726 12.534 1.00 0.00 C ATOM 817 CD ARG A 51 6.320 -10.235 12.483 1.00 0.00 C ATOM 818 NE ARG A 51 6.414 -11.688 12.284 1.00 0.00 N ATOM 819 CZ ARG A 51 7.561 -12.369 12.100 1.00 0.00 C ATOM 820 NH1 ARG A 51 8.745 -11.765 12.157 1.00 0.00 N ATOM 821 NH2 ARG A 51 7.518 -13.665 11.845 1.00 0.00 N ATOM 0 H ARG A 51 5.237 -5.712 12.153 1.00 0.00 H new ATOM 0 HA ARG A 51 6.182 -8.021 10.844 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.448 -7.782 13.276 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.789 -7.866 12.718 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.391 -10.085 13.444 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.311 -10.137 11.694 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.848 -9.729 11.675 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.825 -9.968 13.411 1.00 0.00 H new ATOM 0 HE ARG A 51 5.544 -12.221 12.285 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.798 -10.764 12.344 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.600 -12.303 12.014 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.619 -14.144 11.788 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.384 -14.186 11.705 1.00 0.00 H new ATOM 835 N LEU A 52 3.042 -7.167 10.194 1.00 0.00 N ATOM 836 CA LEU A 52 1.953 -7.136 9.211 1.00 0.00 C ATOM 837 C LEU A 52 2.475 -6.732 7.823 1.00 0.00 C ATOM 838 O LEU A 52 2.085 -7.329 6.818 1.00 0.00 O ATOM 839 CB LEU A 52 0.814 -6.179 9.662 1.00 0.00 C ATOM 840 CG LEU A 52 0.180 -6.479 11.062 1.00 0.00 C ATOM 841 CD1 LEU A 52 -1.043 -5.577 11.342 1.00 0.00 C ATOM 842 CD2 LEU A 52 -0.160 -7.982 11.222 1.00 0.00 C ATOM 0 H LEU A 52 2.855 -6.592 11.015 1.00 0.00 H new ATOM 0 HA LEU A 52 1.543 -8.144 9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.204 -5.161 9.672 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.023 -6.209 8.913 1.00 0.00 H new ATOM 0 HG LEU A 52 0.929 -6.238 11.816 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.454 -5.816 12.323 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.736 -4.531 11.322 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.803 -5.747 10.579 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.598 -8.153 12.205 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.871 -8.278 10.451 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.750 -8.574 11.122 1.00 0.00 H new ATOM 854 N ARG A 53 3.403 -5.755 7.763 1.00 0.00 N ATOM 855 CA ARG A 53 3.973 -5.238 6.513 1.00 0.00 C ATOM 856 C ARG A 53 5.224 -6.031 6.053 1.00 0.00 C ATOM 857 O ARG A 53 5.773 -5.691 5.015 1.00 0.00 O ATOM 858 CB ARG A 53 4.382 -3.758 6.678 1.00 0.00 C ATOM 859 CG ARG A 53 3.269 -2.736 7.000 1.00 0.00 C ATOM 860 CD ARG A 53 3.855 -1.315 7.260 1.00 0.00 C ATOM 861 NE ARG A 53 5.131 -1.318 8.044 1.00 0.00 N ATOM 862 CZ ARG A 53 6.384 -1.277 7.513 1.00 0.00 C ATOM 863 NH1 ARG A 53 6.571 -1.383 6.195 1.00 0.00 N ATOM 864 NH2 ARG A 53 7.438 -1.187 8.303 1.00 0.00 N ATOM 0 H ARG A 53 3.779 -5.301 8.595 1.00 0.00 H new ATOM 0 HA ARG A 53 3.194 -5.346 5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.128 -3.703 7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.872 -3.441 5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.562 -2.693 6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.712 -3.067 7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.030 -0.824 6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.114 -0.719 7.793 1.00 0.00 H new ATOM 0 HE ARG A 53 5.055 -1.354 9.061 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.770 -1.496 5.574 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.515 -1.351 5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.315 -1.148 9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.375 -1.157 7.902 1.00 0.00 H new ATOM 878 N GLU A 54 5.727 -7.013 6.839 1.00 0.00 N ATOM 879 CA GLU A 54 6.833 -7.903 6.369 1.00 0.00 C ATOM 880 C GLU A 54 6.227 -9.168 5.759 1.00 0.00 C ATOM 881 O GLU A 54 6.802 -9.783 4.873 1.00 0.00 O ATOM 882 CB GLU A 54 7.857 -8.252 7.483 1.00 0.00 C ATOM 883 CG GLU A 54 7.395 -9.283 8.520 1.00 0.00 C ATOM 884 CD GLU A 54 8.482 -9.636 9.532 1.00 0.00 C ATOM 885 OE1 GLU A 54 8.649 -8.887 10.516 1.00 0.00 O ATOM 886 OE2 GLU A 54 9.185 -10.657 9.344 1.00 0.00 O ATOM 0 H GLU A 54 5.397 -7.212 7.783 1.00 0.00 H new ATOM 0 HA GLU A 54 7.401 -7.359 5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.766 -8.624 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.122 -7.333 8.006 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.525 -8.894 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.076 -10.190 8.006 1.00 0.00 H new ATOM 893 N VAL A 55 5.045 -9.516 6.275 1.00 0.00 N ATOM 894 CA VAL A 55 4.166 -10.478 5.595 1.00 0.00 C ATOM 895 C VAL A 55 3.773 -9.847 4.245 1.00 0.00 C ATOM 896 O VAL A 55 3.898 -10.468 3.198 1.00 0.00 O ATOM 897 CB VAL A 55 2.901 -10.851 6.446 1.00 0.00 C ATOM 898 CG1 VAL A 55 1.927 -11.756 5.646 1.00 0.00 C ATOM 899 CG2 VAL A 55 3.337 -11.535 7.763 1.00 0.00 C ATOM 0 H VAL A 55 4.675 -9.151 7.153 1.00 0.00 H new ATOM 0 HA VAL A 55 4.694 -11.420 5.448 1.00 0.00 H new ATOM 0 HB VAL A 55 2.365 -9.933 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.062 -11.996 6.264 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.598 -11.232 4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.436 -12.677 5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.455 -11.791 8.349 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.897 -12.442 7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.967 -10.854 8.335 1.00 0.00 H new ATOM 909 N HIS A 56 3.382 -8.557 4.321 1.00 0.00 N ATOM 910 CA HIS A 56 3.243 -7.700 3.115 1.00 0.00 C ATOM 911 C HIS A 56 4.586 -7.060 2.646 1.00 0.00 C ATOM 912 O HIS A 56 4.598 -5.902 2.215 1.00 0.00 O ATOM 913 CB HIS A 56 2.166 -6.606 3.379 1.00 0.00 C ATOM 914 CG HIS A 56 0.758 -7.142 3.473 1.00 0.00 C ATOM 915 ND1 HIS A 56 -0.160 -7.016 2.454 1.00 0.00 N ATOM 916 CD2 HIS A 56 0.112 -7.798 4.470 1.00 0.00 C ATOM 917 CE1 HIS A 56 -1.301 -7.563 2.822 1.00 0.00 C ATOM 918 NE2 HIS A 56 -1.161 -8.047 4.038 1.00 0.00 N ATOM 0 H HIS A 56 3.157 -8.085 5.197 1.00 0.00 H new ATOM 0 HA HIS A 56 2.926 -8.345 2.296 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.409 -6.087 4.306 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.210 -5.867 2.579 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.527 -8.073 5.428 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -2.200 -7.607 2.226 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.884 -8.529 4.571 1.00 0.00 H new ATOM 927 N SER A 57 5.703 -7.822 2.683 1.00 0.00 N ATOM 928 CA SER A 57 7.002 -7.396 2.081 1.00 0.00 C ATOM 929 C SER A 57 7.664 -8.602 1.401 1.00 0.00 C ATOM 930 O SER A 57 7.974 -8.555 0.200 1.00 0.00 O ATOM 931 CB SER A 57 7.954 -6.779 3.125 1.00 0.00 C ATOM 932 OG SER A 57 9.174 -6.362 2.534 1.00 0.00 O ATOM 0 H SER A 57 5.737 -8.741 3.124 1.00 0.00 H new ATOM 0 HA SER A 57 6.795 -6.620 1.344 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.470 -5.927 3.602 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.159 -7.509 3.908 1.00 0.00 H new ATOM 0 HG SER A 57 9.755 -5.974 3.221 1.00 0.00 H new ATOM 938 N GLN A 58 7.882 -9.676 2.195 1.00 0.00 N ATOM 939 CA GLN A 58 8.250 -11.021 1.688 1.00 0.00 C ATOM 940 C GLN A 58 7.207 -11.450 0.643 1.00 0.00 C ATOM 941 O GLN A 58 7.542 -11.931 -0.444 1.00 0.00 O ATOM 942 CB GLN A 58 8.278 -12.046 2.861 1.00 0.00 C ATOM 943 CG GLN A 58 9.165 -11.651 4.065 1.00 0.00 C ATOM 944 CD GLN A 58 8.941 -12.523 5.309 1.00 0.00 C ATOM 945 OE1 GLN A 58 8.657 -13.716 5.205 1.00 0.00 O ATOM 946 NE2 GLN A 58 9.021 -11.924 6.494 1.00 0.00 N ATOM 0 H GLN A 58 7.807 -9.635 3.211 1.00 0.00 H new ATOM 0 HA GLN A 58 9.241 -10.988 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.258 -12.195 3.216 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.624 -13.005 2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.212 -11.716 3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.970 -10.610 4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.258 -10.934 6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.845 -12.455 7.347 1.00 0.00 H new ATOM 955 N LYS A 59 5.934 -11.218 1.002 1.00 0.00 N ATOM 956 CA LYS A 59 4.804 -11.296 0.089 1.00 0.00 C ATOM 957 C LYS A 59 4.201 -9.884 0.000 1.00 0.00 C ATOM 958 O LYS A 59 3.144 -9.631 0.588 1.00 0.00 O ATOM 959 CB LYS A 59 3.767 -12.355 0.582 1.00 0.00 C ATOM 960 CG LYS A 59 2.639 -12.674 -0.431 1.00 0.00 C ATOM 961 CD LYS A 59 1.583 -13.658 0.125 1.00 0.00 C ATOM 962 CE LYS A 59 2.183 -15.012 0.548 1.00 0.00 C ATOM 963 NZ LYS A 59 1.140 -15.956 1.005 1.00 0.00 N ATOM 0 H LYS A 59 5.667 -10.967 1.954 1.00 0.00 H new ATOM 0 HA LYS A 59 5.117 -11.625 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.295 -13.278 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.316 -11.998 1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.145 -11.746 -0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.079 -13.096 -1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.087 -13.203 0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.818 -13.827 -0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.725 -15.448 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.907 -14.855 1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.583 -16.856 1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.639 -15.551 1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.463 -16.126 0.234 1.00 0.00 H new ATOM 977 N LEU A 60 4.931 -8.953 -0.698 1.00 0.00 N ATOM 978 CA LEU A 60 4.595 -7.489 -0.776 1.00 0.00 C ATOM 979 C LEU A 60 3.081 -7.268 -0.933 1.00 0.00 C ATOM 980 O LEU A 60 2.446 -6.542 -0.162 1.00 0.00 O ATOM 981 CB LEU A 60 5.406 -6.788 -1.928 1.00 0.00 C ATOM 982 CG LEU A 60 5.385 -5.197 -1.981 1.00 0.00 C ATOM 983 CD1 LEU A 60 6.590 -4.635 -2.773 1.00 0.00 C ATOM 984 CD2 LEU A 60 4.069 -4.618 -2.573 1.00 0.00 C ATOM 0 H LEU A 60 5.770 -9.198 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 60 4.891 -7.027 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.445 -7.108 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.028 -7.161 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 60 5.451 -4.878 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.540 -3.546 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.518 -4.950 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.562 -5.012 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.121 -3.529 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.938 -4.982 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.224 -4.937 -1.962 1.00 0.00 H new ATOM 996 N SER A 61 2.541 -7.936 -1.932 1.00 0.00 N ATOM 997 CA SER A 61 1.111 -8.041 -2.181 1.00 0.00 C ATOM 998 C SER A 61 0.882 -9.308 -3.005 1.00 0.00 C ATOM 999 O SER A 61 1.854 -9.957 -3.402 1.00 0.00 O ATOM 1000 CB SER A 61 0.588 -6.778 -2.907 1.00 0.00 C ATOM 1001 OG SER A 61 -0.817 -6.814 -3.068 1.00 0.00 O ATOM 0 H SER A 61 3.102 -8.440 -2.619 1.00 0.00 H new ATOM 0 HA SER A 61 0.557 -8.107 -1.244 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.867 -5.890 -2.340 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.065 -6.695 -3.884 1.00 0.00 H new ATOM 0 HG SER A 61 -1.114 -6.001 -3.528 1.00 0.00 H new ATOM 1007 N LYS A 62 -0.385 -9.669 -3.249 1.00 0.00 N ATOM 1008 CA LYS A 62 -0.728 -10.839 -4.070 1.00 0.00 C ATOM 1009 C LYS A 62 -0.171 -10.652 -5.503 1.00 0.00 C ATOM 1010 O LYS A 62 0.831 -11.292 -5.878 1.00 0.00 O ATOM 1011 CB LYS A 62 -2.269 -11.066 -4.069 1.00 0.00 C ATOM 1012 CG LYS A 62 -2.872 -11.298 -2.662 1.00 0.00 C ATOM 1013 CD LYS A 62 -4.401 -11.555 -2.681 1.00 0.00 C ATOM 1014 CE LYS A 62 -4.786 -12.856 -3.416 1.00 0.00 C ATOM 1015 NZ LYS A 62 -6.241 -13.153 -3.309 1.00 0.00 N ATOM 0 H LYS A 62 -1.194 -9.164 -2.887 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.269 -11.732 -3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.753 -10.201 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.499 -11.926 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.374 -12.149 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.665 -10.428 -2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.769 -11.601 -1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.899 -10.712 -3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.510 -12.773 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.216 -13.688 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.454 -14.035 -3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.501 -13.259 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.786 -12.373 -3.727 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.825 -9.760 -6.277 1.00 0.00 N ATOM 1030 CA GLU A 63 -0.439 -9.342 -7.637 1.00 0.00 C ATOM 1031 C GLU A 63 1.066 -8.997 -7.737 1.00 0.00 C ATOM 1032 O GLU A 63 1.723 -9.436 -8.659 1.00 0.00 O ATOM 1033 CB GLU A 63 -1.271 -8.097 -8.076 1.00 0.00 C ATOM 1034 CG GLU A 63 -1.028 -7.621 -9.530 1.00 0.00 C ATOM 1035 CD GLU A 63 -1.245 -8.721 -10.588 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -2.315 -9.370 -10.584 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -0.351 -8.956 -11.424 1.00 0.00 O ATOM 0 H GLU A 63 -1.673 -9.293 -5.955 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.642 -10.186 -8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.330 -8.328 -7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.047 -7.273 -7.399 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.695 -6.786 -9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.008 -7.245 -9.614 1.00 0.00 H new ATOM 1044 N ALA A 64 1.579 -8.220 -6.757 1.00 0.00 N ATOM 1045 CA ALA A 64 2.955 -7.668 -6.779 1.00 0.00 C ATOM 1046 C ALA A 64 4.026 -8.769 -6.634 1.00 0.00 C ATOM 1047 O ALA A 64 4.931 -8.862 -7.463 1.00 0.00 O ATOM 1048 CB ALA A 64 3.122 -6.613 -5.674 1.00 0.00 C ATOM 0 H ALA A 64 1.050 -7.957 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 64 3.102 -7.199 -7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.137 -6.215 -5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.411 -5.803 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.938 -7.071 -4.702 1.00 0.00 H new ATOM 1054 N GLN A 65 3.986 -9.481 -5.489 1.00 0.00 N ATOM 1055 CA GLN A 65 4.892 -10.648 -5.252 1.00 0.00 C ATOM 1056 C GLN A 65 4.861 -11.615 -6.482 1.00 0.00 C ATOM 1057 O GLN A 65 5.897 -12.157 -6.886 1.00 0.00 O ATOM 1058 CB GLN A 65 4.495 -11.402 -3.944 1.00 0.00 C ATOM 1059 CG GLN A 65 5.610 -12.214 -3.229 1.00 0.00 C ATOM 1060 CD GLN A 65 6.175 -13.395 -4.011 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.624 -14.494 -3.992 1.00 0.00 O ATOM 1062 NE2 GLN A 65 7.317 -13.199 -4.640 1.00 0.00 N ATOM 0 H GLN A 65 3.349 -9.281 -4.718 1.00 0.00 H new ATOM 0 HA GLN A 65 5.909 -10.277 -5.129 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.103 -10.670 -3.237 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.679 -12.084 -4.181 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.429 -11.537 -2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.214 -12.584 -2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.749 -12.275 -4.637 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.769 -13.971 -5.130 1.00 0.00 H new ATOM 1071 N LYS A 66 3.676 -11.819 -7.088 1.00 0.00 N ATOM 1072 CA LYS A 66 3.515 -12.542 -8.359 1.00 0.00 C ATOM 1073 C LYS A 66 4.256 -11.878 -9.542 1.00 0.00 C ATOM 1074 O LYS A 66 4.889 -12.586 -10.326 1.00 0.00 O ATOM 1075 CB LYS A 66 2.015 -12.721 -8.664 1.00 0.00 C ATOM 1076 CG LYS A 66 1.705 -13.450 -9.988 1.00 0.00 C ATOM 1077 CD LYS A 66 0.214 -13.829 -10.116 1.00 0.00 C ATOM 1078 CE LYS A 66 -0.707 -12.601 -10.149 1.00 0.00 C ATOM 1079 NZ LYS A 66 -0.464 -11.765 -11.353 1.00 0.00 N ATOM 0 H LYS A 66 2.794 -11.481 -6.702 1.00 0.00 H new ATOM 0 HA LYS A 66 3.982 -13.520 -8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.556 -13.275 -7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.544 -11.738 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.988 -12.812 -10.826 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.313 -14.352 -10.054 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.068 -14.412 -11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.068 -14.467 -9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.747 -12.926 -10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.548 -12.002 -9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.015 -10.871 -11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.162 -12.274 -12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.369 -11.564 -11.824 1.00 0.00 H new ATOM 1093 N LEU A 67 4.123 -10.536 -9.697 1.00 0.00 N ATOM 1094 CA LEU A 67 4.896 -9.746 -10.698 1.00 0.00 C ATOM 1095 C LEU A 67 6.391 -10.083 -10.620 1.00 0.00 C ATOM 1096 O LEU A 67 7.042 -10.273 -11.642 1.00 0.00 O ATOM 1097 CB LEU A 67 4.689 -8.203 -10.536 1.00 0.00 C ATOM 1098 CG LEU A 67 3.249 -7.656 -10.798 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.188 -6.112 -10.672 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.727 -8.113 -12.168 1.00 0.00 C ATOM 0 H LEU A 67 3.483 -9.972 -9.138 1.00 0.00 H new ATOM 0 HA LEU A 67 4.512 -10.027 -11.679 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.979 -7.925 -9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.374 -7.695 -11.214 1.00 0.00 H new ATOM 0 HG LEU A 67 2.600 -8.073 -10.028 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.170 -5.771 -10.861 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.488 -5.817 -9.667 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.863 -5.661 -11.399 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.723 -7.718 -12.325 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.389 -7.743 -12.951 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.698 -9.202 -12.202 1.00 0.00 H new ATOM 1112 N MET A 68 6.907 -10.173 -9.392 1.00 0.00 N ATOM 1113 CA MET A 68 8.261 -10.631 -9.073 1.00 0.00 C ATOM 1114 C MET A 68 8.552 -12.051 -9.606 1.00 0.00 C ATOM 1115 O MET A 68 9.558 -12.248 -10.292 1.00 0.00 O ATOM 1116 CB MET A 68 8.511 -10.522 -7.547 1.00 0.00 C ATOM 1117 CG MET A 68 8.264 -9.108 -6.993 1.00 0.00 C ATOM 1118 SD MET A 68 8.436 -8.989 -5.200 1.00 0.00 S ATOM 1119 CE MET A 68 7.971 -7.275 -4.938 1.00 0.00 C ATOM 0 H MET A 68 6.373 -9.919 -8.561 1.00 0.00 H new ATOM 0 HA MET A 68 8.963 -9.976 -9.588 1.00 0.00 H new ATOM 0 HB2 MET A 68 7.862 -11.227 -7.028 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.538 -10.816 -7.332 1.00 0.00 H new ATOM 0 HG2 MET A 68 8.963 -8.416 -7.463 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.261 -8.787 -7.275 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.026 -7.042 -3.875 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.652 -6.625 -5.488 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.952 -7.116 -5.292 1.00 0.00 H new ATOM 1129 N LYS A 69 7.675 -13.036 -9.331 1.00 0.00 N ATOM 1130 CA LYS A 69 7.881 -14.440 -9.802 1.00 0.00 C ATOM 1131 C LYS A 69 7.193 -14.729 -11.168 1.00 0.00 C ATOM 1132 O LYS A 69 6.897 -15.894 -11.477 1.00 0.00 O ATOM 1133 CB LYS A 69 7.366 -15.422 -8.702 1.00 0.00 C ATOM 1134 CG LYS A 69 5.857 -15.311 -8.405 1.00 0.00 C ATOM 1135 CD LYS A 69 5.370 -16.258 -7.289 1.00 0.00 C ATOM 1136 CE LYS A 69 3.860 -16.105 -7.027 1.00 0.00 C ATOM 1137 NZ LYS A 69 3.378 -17.019 -5.972 1.00 0.00 N ATOM 0 H LYS A 69 6.821 -12.898 -8.791 1.00 0.00 H new ATOM 0 HA LYS A 69 8.948 -14.586 -9.968 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.589 -16.443 -9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.920 -15.239 -7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.626 -14.284 -8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.300 -15.524 -9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.588 -17.289 -7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.921 -16.052 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.646 -15.076 -6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.312 -16.298 -7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.357 -16.879 -5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.557 -18.003 -6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.880 -16.819 -5.084 1.00 0.00 H new ATOM 1151 N MET A 70 6.974 -13.682 -11.997 1.00 0.00 N ATOM 1152 CA MET A 70 6.414 -13.843 -13.365 1.00 0.00 C ATOM 1153 C MET A 70 7.407 -14.592 -14.283 1.00 0.00 C ATOM 1154 O MET A 70 8.616 -14.477 -14.087 1.00 0.00 O ATOM 1155 CB MET A 70 6.043 -12.466 -13.992 1.00 0.00 C ATOM 1156 CG MET A 70 4.656 -11.938 -13.611 1.00 0.00 C ATOM 1157 SD MET A 70 3.314 -12.921 -14.315 1.00 0.00 S ATOM 1158 CE MET A 70 1.914 -11.814 -14.115 1.00 0.00 C ATOM 0 H MET A 70 7.176 -12.715 -11.745 1.00 0.00 H new ATOM 0 HA MET A 70 5.503 -14.435 -13.276 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.791 -11.732 -13.691 1.00 0.00 H new ATOM 0 HB3 MET A 70 6.098 -12.550 -15.077 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.562 -11.928 -12.525 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.560 -10.906 -13.949 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.993 -12.345 -14.356 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.871 -11.464 -13.084 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.027 -10.960 -14.783 1.00 0.00 H new ATOM 1168 N PRO A 71 6.902 -15.413 -15.262 1.00 0.00 N ATOM 1169 CA PRO A 71 7.755 -16.087 -16.251 1.00 0.00 C ATOM 1170 C PRO A 71 8.180 -15.170 -17.439 1.00 0.00 C ATOM 1171 O PRO A 71 9.368 -14.869 -17.584 1.00 0.00 O ATOM 1172 CB PRO A 71 6.884 -17.297 -16.685 1.00 0.00 C ATOM 1173 CG PRO A 71 5.463 -16.863 -16.498 1.00 0.00 C ATOM 1174 CD PRO A 71 5.470 -15.792 -15.422 1.00 0.00 C ATOM 0 HA PRO A 71 8.721 -16.384 -15.842 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.078 -17.566 -17.723 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.107 -18.176 -16.081 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.052 -16.473 -17.429 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.837 -17.705 -16.202 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.865 -14.934 -15.716 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.055 -16.169 -14.487 1.00 0.00 H new ATOM 1182 N PHE A 72 7.211 -14.736 -18.274 1.00 0.00 N ATOM 1183 CA PHE A 72 7.482 -14.010 -19.541 1.00 0.00 C ATOM 1184 C PHE A 72 7.339 -12.513 -19.229 1.00 0.00 C ATOM 1185 O PHE A 72 6.220 -12.089 -18.960 1.00 0.00 O ATOM 1186 CB PHE A 72 6.453 -14.403 -20.644 1.00 0.00 C ATOM 1187 CG PHE A 72 6.423 -15.885 -21.018 1.00 0.00 C ATOM 1188 CD1 PHE A 72 5.718 -16.801 -20.243 1.00 0.00 C ATOM 1189 CD2 PHE A 72 7.074 -16.356 -22.156 1.00 0.00 C ATOM 1190 CE1 PHE A 72 5.670 -18.135 -20.588 1.00 0.00 C ATOM 1191 CE2 PHE A 72 7.027 -17.694 -22.499 1.00 0.00 C ATOM 1192 CZ PHE A 72 6.324 -18.581 -21.717 1.00 0.00 C ATOM 0 H PHE A 72 6.217 -14.878 -18.091 1.00 0.00 H new ATOM 0 HA PHE A 72 8.477 -14.258 -19.912 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.458 -14.111 -20.309 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.670 -13.824 -21.542 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.201 -16.462 -19.358 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.623 -15.666 -22.779 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.119 -18.832 -19.973 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.542 -18.043 -23.381 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.284 -19.626 -21.987 1.00 0.00 H new ATOM 1202 N GLN A 73 8.414 -11.683 -19.249 1.00 0.00 N ATOM 1203 CA GLN A 73 8.327 -10.297 -18.732 1.00 0.00 C ATOM 1204 C GLN A 73 9.465 -9.429 -19.323 1.00 0.00 C ATOM 1205 O GLN A 73 10.372 -9.943 -19.988 1.00 0.00 O ATOM 1206 CB GLN A 73 8.360 -10.236 -17.163 1.00 0.00 C ATOM 1207 CG GLN A 73 9.741 -10.471 -16.499 1.00 0.00 C ATOM 1208 CD GLN A 73 10.235 -11.911 -16.608 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.920 -12.289 -17.552 1.00 0.00 O ATOM 1210 NE2 GLN A 73 9.890 -12.724 -15.631 1.00 0.00 N ATOM 0 H GLN A 73 9.332 -11.944 -19.610 1.00 0.00 H new ATOM 0 HA GLN A 73 7.363 -9.900 -19.050 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.991 -9.259 -16.850 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.663 -10.979 -16.776 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.474 -9.809 -16.960 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.680 -10.195 -15.446 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.319 -12.380 -14.859 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.194 -13.698 -15.646 1.00 0.00 H new ATOM 1219 N ARG A 74 9.375 -8.120 -19.031 1.00 0.00 N ATOM 1220 CA ARG A 74 10.401 -7.104 -19.410 1.00 0.00 C ATOM 1221 C ARG A 74 10.058 -5.734 -18.832 1.00 0.00 C ATOM 1222 O ARG A 74 9.129 -5.611 -18.069 1.00 0.00 O ATOM 1223 CB ARG A 74 10.593 -7.021 -20.959 1.00 0.00 C ATOM 1224 CG ARG A 74 9.351 -6.576 -21.770 1.00 0.00 C ATOM 1225 CD ARG A 74 9.610 -6.646 -23.282 1.00 0.00 C ATOM 1226 NE ARG A 74 8.441 -6.260 -24.103 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.117 -6.817 -25.283 1.00 0.00 C ATOM 1228 NH1 ARG A 74 8.767 -7.881 -25.736 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.125 -6.324 -25.993 1.00 0.00 N ATOM 0 H ARG A 74 8.586 -7.723 -18.521 1.00 0.00 H new ATOM 0 HA ARG A 74 11.348 -7.429 -18.980 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.408 -6.328 -21.168 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.907 -8.000 -21.320 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.503 -7.211 -21.516 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.081 -5.557 -21.493 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.448 -5.994 -23.529 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.908 -7.661 -23.544 1.00 0.00 H new ATOM 0 HE ARG A 74 7.838 -5.518 -23.748 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.524 -8.288 -25.187 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.509 -8.292 -26.633 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.602 -5.519 -25.648 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.879 -6.747 -26.888 1.00 0.00 H new ATOM 1243 N ALA A 75 10.848 -4.705 -19.146 1.00 0.00 N ATOM 1244 CA ALA A 75 10.521 -3.313 -18.826 1.00 0.00 C ATOM 1245 C ALA A 75 10.460 -2.582 -20.158 1.00 0.00 C ATOM 1246 O ALA A 75 11.506 -2.381 -20.778 1.00 0.00 O ATOM 1247 CB ALA A 75 11.559 -2.708 -17.872 1.00 0.00 C ATOM 0 H ALA A 75 11.738 -4.814 -19.632 1.00 0.00 H new ATOM 0 HA ALA A 75 9.569 -3.230 -18.302 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.292 -1.675 -17.651 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.581 -3.283 -16.946 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.543 -2.736 -18.340 1.00 0.00 H new ATOM 1253 N ILE A 76 9.262 -2.157 -20.608 1.00 0.00 N ATOM 1254 CA ILE A 76 8.895 -2.020 -22.013 1.00 0.00 C ATOM 1255 C ILE A 76 9.713 -0.893 -22.679 1.00 0.00 C ATOM 1256 O ILE A 76 9.767 0.232 -22.161 1.00 0.00 O ATOM 1257 CB ILE A 76 7.357 -1.676 -22.137 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.470 -2.679 -21.314 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.924 -1.630 -23.614 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.514 -4.130 -21.787 1.00 0.00 C ATOM 0 H ILE A 76 8.506 -1.894 -19.975 1.00 0.00 H new ATOM 0 HA ILE A 76 9.107 -2.964 -22.514 1.00 0.00 H new ATOM 0 HB ILE A 76 7.204 -0.685 -21.709 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.785 -2.645 -20.271 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.436 -2.335 -21.347 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.862 -1.392 -23.675 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.498 -0.866 -24.138 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.105 -2.600 -24.077 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.869 -4.739 -21.154 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.168 -4.187 -22.819 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.537 -4.502 -21.727 1.00 0.00 H new ATOM 1272 N THR A 77 10.325 -1.215 -23.826 1.00 0.00 N ATOM 1273 CA THR A 77 11.097 -0.256 -24.631 1.00 0.00 C ATOM 1274 C THR A 77 10.174 0.816 -25.232 1.00 0.00 C ATOM 1275 O THR A 77 8.987 0.565 -25.419 1.00 0.00 O ATOM 1276 CB THR A 77 11.861 -1.000 -25.781 1.00 0.00 C ATOM 1277 OG1 THR A 77 10.951 -1.863 -26.486 1.00 0.00 O ATOM 1278 CG2 THR A 77 13.050 -1.821 -25.256 1.00 0.00 C ATOM 0 H THR A 77 10.299 -2.153 -24.225 1.00 0.00 H new ATOM 0 HA THR A 77 11.821 0.230 -23.977 1.00 0.00 H new ATOM 0 HB THR A 77 12.260 -0.241 -26.454 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.430 -2.326 -27.205 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.546 -2.317 -26.090 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.756 -1.159 -24.755 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.691 -2.570 -24.550 1.00 0.00 H new ATOM 1286 N LYS A 78 10.743 2.004 -25.513 1.00 0.00 N ATOM 1287 CA LYS A 78 10.066 3.091 -26.269 1.00 0.00 C ATOM 1288 C LYS A 78 9.568 2.588 -27.656 1.00 0.00 C ATOM 1289 O LYS A 78 8.601 3.120 -28.220 1.00 0.00 O ATOM 1290 CB LYS A 78 11.040 4.286 -26.455 1.00 0.00 C ATOM 1291 CG LYS A 78 10.426 5.530 -27.151 1.00 0.00 C ATOM 1292 CD LYS A 78 11.460 6.644 -27.434 1.00 0.00 C ATOM 1293 CE LYS A 78 12.547 6.213 -28.440 1.00 0.00 C ATOM 1294 NZ LYS A 78 13.552 7.279 -28.658 1.00 0.00 N ATOM 0 H LYS A 78 11.691 2.244 -25.223 1.00 0.00 H new ATOM 0 HA LYS A 78 9.197 3.415 -25.697 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.416 4.584 -25.476 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.898 3.949 -27.037 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.967 5.223 -28.091 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.630 5.933 -26.524 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.943 7.523 -27.820 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.935 6.938 -26.498 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.044 5.315 -28.074 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.080 5.954 -29.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.265 6.950 -29.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.082 8.128 -29.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.016 7.508 -27.756 1.00 0.00 H new ATOM 1308 N LYS A 79 10.262 1.556 -28.164 1.00 0.00 N ATOM 1309 CA LYS A 79 9.919 0.840 -29.403 1.00 0.00 C ATOM 1310 C LYS A 79 8.507 0.210 -29.262 1.00 0.00 C ATOM 1311 O LYS A 79 7.654 0.367 -30.138 1.00 0.00 O ATOM 1312 CB LYS A 79 11.014 -0.232 -29.734 1.00 0.00 C ATOM 1313 CG LYS A 79 11.225 -0.526 -31.244 1.00 0.00 C ATOM 1314 CD LYS A 79 10.022 -1.196 -31.937 1.00 0.00 C ATOM 1315 CE LYS A 79 10.252 -1.399 -33.444 1.00 0.00 C ATOM 1316 NZ LYS A 79 9.060 -1.969 -34.113 1.00 0.00 N ATOM 0 H LYS A 79 11.099 1.187 -27.712 1.00 0.00 H new ATOM 0 HA LYS A 79 9.893 1.539 -30.239 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.962 0.099 -29.310 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.749 -1.163 -29.234 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.449 0.410 -31.756 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.098 -1.168 -31.358 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.828 -2.161 -31.469 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.133 -0.584 -31.787 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.505 -0.444 -33.904 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.104 -2.061 -33.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.043 -1.667 -35.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.099 -3.007 -34.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.200 -1.634 -33.635 1.00 0.00 H new ATOM 1330 N GLU A 80 8.277 -0.475 -28.135 1.00 0.00 N ATOM 1331 CA GLU A 80 7.000 -1.139 -27.825 1.00 0.00 C ATOM 1332 C GLU A 80 6.047 -0.192 -27.072 1.00 0.00 C ATOM 1333 O GLU A 80 4.959 -0.603 -26.718 1.00 0.00 O ATOM 1334 CB GLU A 80 7.265 -2.429 -27.012 1.00 0.00 C ATOM 1335 CG GLU A 80 7.841 -3.592 -27.835 1.00 0.00 C ATOM 1336 CD GLU A 80 6.836 -4.114 -28.878 1.00 0.00 C ATOM 1337 OE1 GLU A 80 5.863 -4.790 -28.481 1.00 0.00 O ATOM 1338 OE2 GLU A 80 7.011 -3.851 -30.091 1.00 0.00 O ATOM 0 H GLU A 80 8.979 -0.586 -27.403 1.00 0.00 H new ATOM 0 HA GLU A 80 6.511 -1.410 -28.761 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.955 -2.197 -26.201 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.331 -2.753 -26.553 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.750 -3.264 -28.340 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.124 -4.405 -27.166 1.00 0.00 H new ATOM 1345 N GLN A 81 6.498 1.041 -26.737 1.00 0.00 N ATOM 1346 CA GLN A 81 5.578 2.153 -26.395 1.00 0.00 C ATOM 1347 C GLN A 81 4.990 2.810 -27.655 1.00 0.00 C ATOM 1348 O GLN A 81 3.893 3.378 -27.614 1.00 0.00 O ATOM 1349 CB GLN A 81 6.301 3.193 -25.500 1.00 0.00 C ATOM 1350 CG GLN A 81 6.761 2.619 -24.134 1.00 0.00 C ATOM 1351 CD GLN A 81 7.576 3.591 -23.279 1.00 0.00 C ATOM 1352 OE1 GLN A 81 7.403 4.807 -23.355 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.472 3.058 -22.459 1.00 0.00 N ATOM 0 H GLN A 81 7.486 1.290 -26.696 1.00 0.00 H new ATOM 0 HA GLN A 81 4.741 1.739 -25.833 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.169 3.579 -26.034 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.633 4.037 -25.325 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.881 2.309 -23.570 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.357 1.724 -24.313 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.590 2.046 -22.421 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.043 3.661 -21.867 1.00 0.00 H new ATOM 1362 N ALA A 82 5.723 2.726 -28.774 1.00 0.00 N ATOM 1363 CA ALA A 82 5.222 3.058 -30.114 1.00 0.00 C ATOM 1364 C ALA A 82 4.206 2.003 -30.561 1.00 0.00 C ATOM 1365 O ALA A 82 3.079 2.323 -30.961 1.00 0.00 O ATOM 1366 CB ALA A 82 6.382 3.191 -31.116 1.00 0.00 C ATOM 0 H ALA A 82 6.696 2.421 -28.773 1.00 0.00 H new ATOM 0 HA ALA A 82 4.719 4.024 -30.078 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.986 3.437 -32.101 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.057 3.982 -30.788 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.927 2.248 -31.169 1.00 0.00 H new ATOM 1372 N ASP A 83 4.609 0.733 -30.445 1.00 0.00 N ATOM 1373 CA ASP A 83 3.765 -0.417 -30.793 1.00 0.00 C ATOM 1374 C ASP A 83 3.052 -0.963 -29.547 1.00 0.00 C ATOM 1375 O ASP A 83 2.787 -2.160 -29.472 1.00 0.00 O ATOM 1376 CB ASP A 83 4.629 -1.520 -31.463 1.00 0.00 C ATOM 1377 CG ASP A 83 5.328 -1.045 -32.742 1.00 0.00 C ATOM 1378 OD1 ASP A 83 4.622 -0.666 -33.702 1.00 0.00 O ATOM 1379 OD2 ASP A 83 6.578 -1.020 -32.790 1.00 0.00 O ATOM 0 H ASP A 83 5.535 0.472 -30.105 1.00 0.00 H new ATOM 0 HA ASP A 83 3.001 -0.093 -31.500 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.380 -1.866 -30.753 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.996 -2.375 -31.699 1.00 0.00 H new ATOM 1384 N MET A 84 2.673 -0.064 -28.602 1.00 0.00 N ATOM 1385 CA MET A 84 2.028 -0.466 -27.327 1.00 0.00 C ATOM 1386 C MET A 84 0.620 -1.001 -27.546 1.00 0.00 C ATOM 1387 O MET A 84 0.163 -1.901 -26.821 1.00 0.00 O ATOM 1388 CB MET A 84 2.023 0.705 -26.308 1.00 0.00 C ATOM 1389 CG MET A 84 1.479 0.348 -24.915 1.00 0.00 C ATOM 1390 SD MET A 84 2.312 1.204 -23.566 1.00 0.00 S ATOM 1391 CE MET A 84 3.834 0.269 -23.450 1.00 0.00 C ATOM 0 H MET A 84 2.803 0.943 -28.700 1.00 0.00 H new ATOM 0 HA MET A 84 2.623 -1.278 -26.909 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.042 1.078 -26.200 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.427 1.521 -26.717 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.415 0.583 -24.880 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.573 -0.727 -24.763 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.588 0.863 -22.933 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.654 -0.652 -22.895 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.188 0.025 -24.452 1.00 0.00 H new ATOM 1401 N GLY A 85 -0.036 -0.491 -28.589 1.00 0.00 N ATOM 1402 CA GLY A 85 -1.366 -0.933 -28.932 1.00 0.00 C ATOM 1403 C GLY A 85 -1.364 -2.358 -29.434 1.00 0.00 C ATOM 1404 O GLY A 85 -2.235 -3.145 -29.047 1.00 0.00 O ATOM 0 H GLY A 85 0.342 0.229 -29.205 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.013 -0.855 -28.058 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.782 -0.277 -29.697 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.369 -2.712 -30.287 1.00 0.00 N ATOM 1409 CA LYS A 86 -0.214 -4.062 -30.825 1.00 0.00 C ATOM 1410 C LYS A 86 0.256 -4.975 -29.689 1.00 0.00 C ATOM 1411 O LYS A 86 -0.321 -6.039 -29.485 1.00 0.00 O ATOM 1412 CB LYS A 86 0.790 -4.026 -32.031 1.00 0.00 C ATOM 1413 CG LYS A 86 1.271 -5.397 -32.605 1.00 0.00 C ATOM 1414 CD LYS A 86 2.531 -5.963 -31.899 1.00 0.00 C ATOM 1415 CE LYS A 86 3.749 -5.034 -32.008 1.00 0.00 C ATOM 1416 NZ LYS A 86 4.895 -5.516 -31.202 1.00 0.00 N ATOM 0 H LYS A 86 0.343 -2.058 -30.613 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.156 -4.455 -31.208 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.323 -3.466 -32.842 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.670 -3.463 -31.720 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.461 -6.121 -32.518 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.482 -5.281 -33.668 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.305 -6.134 -30.847 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.780 -6.931 -32.333 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.050 -4.954 -33.053 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.471 -4.033 -31.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.542 -4.725 -31.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.548 -5.904 -30.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.401 -6.258 -31.727 1.00 0.00 H new ATOM 1430 N LEU A 87 1.328 -4.538 -28.975 1.00 0.00 N ATOM 1431 CA LEU A 87 1.807 -5.120 -27.714 1.00 0.00 C ATOM 1432 C LEU A 87 0.700 -5.639 -26.795 1.00 0.00 C ATOM 1433 O LEU A 87 0.625 -6.840 -26.568 1.00 0.00 O ATOM 1434 CB LEU A 87 2.703 -4.091 -26.969 1.00 0.00 C ATOM 1435 CG LEU A 87 3.194 -4.482 -25.537 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.042 -5.771 -25.551 1.00 0.00 C ATOM 1437 CD2 LEU A 87 3.950 -3.311 -24.871 1.00 0.00 C ATOM 0 H LEU A 87 1.893 -3.745 -29.280 1.00 0.00 H new ATOM 0 HA LEU A 87 2.388 -6.001 -27.986 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.580 -3.896 -27.586 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.152 -3.154 -26.894 1.00 0.00 H new ATOM 0 HG LEU A 87 2.310 -4.693 -24.935 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.363 -6.007 -24.536 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.446 -6.595 -25.944 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.918 -5.624 -26.183 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.280 -3.610 -23.876 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.817 -3.046 -25.477 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.287 -2.450 -24.789 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.210 -4.759 -26.352 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.017 -5.026 -25.146 1.00 0.00 C ATOM 1451 C LYS A 88 -2.189 -5.962 -25.482 1.00 0.00 C ATOM 1452 O LYS A 88 -2.577 -6.803 -24.656 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.497 -3.677 -24.543 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.385 -2.906 -23.786 1.00 0.00 C ATOM 1455 CD LYS A 88 -0.845 -1.528 -23.256 1.00 0.00 C ATOM 1456 CE LYS A 88 -1.921 -1.621 -22.177 1.00 0.00 C ATOM 1457 NZ LYS A 88 -2.419 -0.294 -21.764 1.00 0.00 N ATOM 0 H LYS A 88 -0.406 -3.865 -26.803 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.411 -5.535 -24.397 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.883 -3.047 -25.344 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.325 -3.868 -23.860 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.039 -3.512 -22.949 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.467 -2.765 -24.451 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.017 -0.996 -22.854 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.226 -0.936 -24.088 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.753 -2.219 -22.548 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.517 -2.141 -21.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.147 -0.409 -21.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.632 0.270 -21.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.830 0.194 -22.586 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.723 -5.846 -26.718 1.00 0.00 N ATOM 1472 CA LYS A 89 -3.792 -6.739 -27.195 1.00 0.00 C ATOM 1473 C LYS A 89 -3.218 -8.149 -27.460 1.00 0.00 C ATOM 1474 O LYS A 89 -3.856 -9.146 -27.123 1.00 0.00 O ATOM 1475 CB LYS A 89 -4.535 -6.140 -28.446 1.00 0.00 C ATOM 1476 CG LYS A 89 -3.665 -5.834 -29.711 1.00 0.00 C ATOM 1477 CD LYS A 89 -3.537 -7.011 -30.717 1.00 0.00 C ATOM 1478 CE LYS A 89 -4.870 -7.364 -31.392 1.00 0.00 C ATOM 1479 NZ LYS A 89 -4.733 -8.461 -32.383 1.00 0.00 N ATOM 0 H LYS A 89 -2.430 -5.144 -27.398 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.550 -6.830 -26.417 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.323 -6.835 -28.737 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.023 -5.215 -28.139 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.093 -4.977 -30.230 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.666 -5.543 -29.385 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.805 -6.751 -31.482 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.155 -7.889 -30.196 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.593 -7.655 -30.630 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.268 -6.479 -31.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.660 -8.661 -32.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.064 -8.176 -33.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.379 -9.316 -31.908 1.00 0.00 H new ATOM 1493 N SER A 90 -2.007 -8.217 -28.070 1.00 0.00 N ATOM 1494 CA SER A 90 -1.277 -9.472 -28.404 1.00 0.00 C ATOM 1495 C SER A 90 -0.916 -10.352 -27.170 1.00 0.00 C ATOM 1496 O SER A 90 -0.306 -11.410 -27.328 1.00 0.00 O ATOM 1497 CB SER A 90 0.021 -9.103 -29.163 1.00 0.00 C ATOM 1498 OG SER A 90 0.714 -10.245 -29.645 1.00 0.00 O ATOM 0 H SER A 90 -1.496 -7.380 -28.351 1.00 0.00 H new ATOM 0 HA SER A 90 -1.951 -10.072 -29.015 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.225 -8.451 -30.001 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.676 -8.537 -28.501 1.00 0.00 H new ATOM 0 HG SER A 90 0.526 -11.011 -29.064 1.00 0.00 H new ATOM 1504 N VAL A 91 -1.370 -9.966 -25.967 1.00 0.00 N ATOM 1505 CA VAL A 91 -1.096 -10.736 -24.732 1.00 0.00 C ATOM 1506 C VAL A 91 -2.426 -11.061 -24.009 1.00 0.00 C ATOM 1507 O VAL A 91 -2.455 -11.914 -23.110 1.00 0.00 O ATOM 1508 CB VAL A 91 -0.145 -9.960 -23.740 1.00 0.00 C ATOM 1509 CG1 VAL A 91 0.643 -10.929 -22.826 1.00 0.00 C ATOM 1510 CG2 VAL A 91 0.814 -9.016 -24.483 1.00 0.00 C ATOM 0 H VAL A 91 -1.929 -9.126 -25.818 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.591 -11.654 -25.032 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.789 -9.349 -23.107 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.286 -10.357 -22.158 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.056 -11.523 -22.237 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.254 -11.591 -23.439 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.450 -8.502 -23.762 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.435 -9.593 -25.168 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.238 -8.282 -25.046 1.00 0.00 H new ATOM 1520 N ARG A 92 -3.504 -10.341 -24.434 1.00 0.00 N ATOM 1521 CA ARG A 92 -4.870 -10.389 -23.847 1.00 0.00 C ATOM 1522 C ARG A 92 -4.871 -9.586 -22.535 1.00 0.00 C ATOM 1523 O ARG A 92 -5.425 -8.487 -22.459 1.00 0.00 O ATOM 1524 CB ARG A 92 -5.393 -11.845 -23.625 1.00 0.00 C ATOM 1525 CG ARG A 92 -6.836 -11.943 -23.066 1.00 0.00 C ATOM 1526 CD ARG A 92 -7.128 -13.306 -22.420 1.00 0.00 C ATOM 1527 NE ARG A 92 -6.343 -13.482 -21.179 1.00 0.00 N ATOM 1528 CZ ARG A 92 -5.723 -14.602 -20.780 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -5.768 -15.712 -21.511 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -5.054 -14.598 -19.636 1.00 0.00 N ATOM 0 H ARG A 92 -3.441 -9.692 -25.219 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.562 -9.941 -24.560 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.350 -12.380 -24.574 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.718 -12.357 -22.939 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.990 -11.155 -22.329 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.547 -11.768 -23.873 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.192 -13.386 -22.196 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -6.889 -14.104 -23.122 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.266 -12.671 -20.566 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.281 -15.722 -22.393 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.290 -16.554 -21.190 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.015 -13.750 -19.071 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.578 -15.443 -19.321 1.00 0.00 H new ATOM 1544 N GLY A 93 -4.223 -10.155 -21.516 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.885 -9.457 -20.280 1.00 0.00 C ATOM 1546 C GLY A 93 -2.378 -9.465 -20.136 1.00 0.00 C ATOM 1547 O GLY A 93 -1.745 -10.499 -20.409 1.00 0.00 O ATOM 0 H GLY A 93 -3.915 -11.127 -21.529 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.260 -8.434 -20.305 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.352 -9.947 -19.426 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.777 -8.363 -19.679 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.331 -8.063 -19.723 1.00 0.00 C ATOM 1553 C LEU A 94 -0.218 -6.942 -18.679 1.00 0.00 C ATOM 1554 O LEU A 94 -1.124 -6.093 -18.623 1.00 0.00 O ATOM 1555 CB LEU A 94 0.124 -7.517 -21.110 1.00 0.00 C ATOM 1556 CG LEU A 94 1.426 -6.633 -21.140 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.676 -7.408 -20.680 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.649 -5.995 -22.526 1.00 0.00 C ATOM 0 H LEU A 94 -2.310 -7.610 -19.243 1.00 0.00 H new ATOM 0 HA LEU A 94 0.285 -8.944 -19.542 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.277 -8.367 -21.775 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.694 -6.929 -21.527 1.00 0.00 H new ATOM 0 HG LEU A 94 1.267 -5.829 -20.422 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.546 -6.752 -20.720 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.532 -7.758 -19.658 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.836 -8.263 -21.337 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.557 -5.392 -22.507 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.750 -6.780 -23.276 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.798 -5.361 -22.776 1.00 0.00 H new ATOM 1570 N VAL A 95 0.820 -6.842 -17.856 1.00 0.00 N ATOM 1571 CA VAL A 95 0.848 -5.890 -16.739 1.00 0.00 C ATOM 1572 C VAL A 95 1.844 -4.814 -17.175 1.00 0.00 C ATOM 1573 O VAL A 95 2.877 -5.158 -17.713 1.00 0.00 O ATOM 1574 CB VAL A 95 1.290 -6.544 -15.390 1.00 0.00 C ATOM 1575 CG1 VAL A 95 1.261 -5.506 -14.235 1.00 0.00 C ATOM 1576 CG2 VAL A 95 0.401 -7.775 -15.077 1.00 0.00 C ATOM 0 H VAL A 95 1.662 -7.411 -17.938 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.148 -5.494 -16.540 1.00 0.00 H new ATOM 0 HB VAL A 95 2.320 -6.889 -15.487 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.573 -5.985 -13.307 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.941 -4.686 -14.466 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.249 -5.117 -14.121 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.718 -8.223 -14.135 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.640 -7.461 -14.998 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.499 -8.508 -15.878 1.00 0.00 H new ATOM 1586 N VAL A 96 1.459 -3.540 -17.056 1.00 0.00 N ATOM 1587 CA VAL A 96 2.300 -2.379 -17.442 1.00 0.00 C ATOM 1588 C VAL A 96 2.292 -1.382 -16.263 1.00 0.00 C ATOM 1589 O VAL A 96 1.221 -0.978 -15.823 1.00 0.00 O ATOM 1590 CB VAL A 96 1.805 -1.675 -18.770 1.00 0.00 C ATOM 1591 CG1 VAL A 96 2.754 -0.519 -19.186 1.00 0.00 C ATOM 1592 CG2 VAL A 96 1.640 -2.695 -19.932 1.00 0.00 C ATOM 0 H VAL A 96 0.547 -3.272 -16.686 1.00 0.00 H new ATOM 0 HA VAL A 96 3.310 -2.731 -17.653 1.00 0.00 H new ATOM 0 HB VAL A 96 0.825 -1.248 -18.559 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.385 -0.057 -20.102 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.789 0.227 -18.392 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.755 -0.914 -19.357 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.299 -2.175 -20.827 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.598 -3.175 -20.134 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.908 -3.452 -19.651 1.00 0.00 H new ATOM 1602 N VAL A 97 3.478 -0.982 -15.752 1.00 0.00 N ATOM 1603 CA VAL A 97 3.614 -0.213 -14.489 1.00 0.00 C ATOM 1604 C VAL A 97 4.549 0.984 -14.755 1.00 0.00 C ATOM 1605 O VAL A 97 5.686 0.785 -15.181 1.00 0.00 O ATOM 1606 CB VAL A 97 4.214 -1.083 -13.310 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.171 -0.307 -11.966 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.521 -2.471 -13.177 1.00 0.00 C ATOM 0 H VAL A 97 4.371 -1.182 -16.203 1.00 0.00 H new ATOM 0 HA VAL A 97 2.620 0.111 -14.179 1.00 0.00 H new ATOM 0 HB VAL A 97 5.257 -1.276 -13.563 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.589 -0.928 -11.174 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.755 0.609 -12.056 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.138 -0.056 -11.724 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.972 -3.025 -12.354 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.458 -2.330 -12.981 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.648 -3.031 -14.103 1.00 0.00 H new ATOM 1618 N HIS A 98 4.075 2.214 -14.512 1.00 0.00 N ATOM 1619 CA HIS A 98 4.801 3.442 -14.877 1.00 0.00 C ATOM 1620 C HIS A 98 5.826 3.792 -13.753 1.00 0.00 C ATOM 1621 O HIS A 98 5.544 3.548 -12.574 1.00 0.00 O ATOM 1622 CB HIS A 98 3.772 4.587 -15.086 1.00 0.00 C ATOM 1623 CG HIS A 98 4.309 5.775 -15.831 1.00 0.00 C ATOM 1624 ND1 HIS A 98 4.980 6.786 -15.194 1.00 0.00 N ATOM 1625 CD2 HIS A 98 4.298 6.031 -17.163 1.00 0.00 C ATOM 1626 CE1 HIS A 98 5.363 7.617 -16.149 1.00 0.00 C ATOM 1627 NE2 HIS A 98 4.972 7.202 -17.352 1.00 0.00 N ATOM 0 H HIS A 98 3.179 2.387 -14.057 1.00 0.00 H new ATOM 0 HA HIS A 98 5.356 3.300 -15.804 1.00 0.00 H new ATOM 0 HB2 HIS A 98 2.912 4.192 -15.627 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.411 4.917 -14.112 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.842 5.422 -17.930 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.925 8.523 -15.974 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.143 7.669 -18.242 1.00 0.00 H new ATOM 1635 N PRO A 99 7.042 4.343 -14.085 1.00 0.00 N ATOM 1636 CA PRO A 99 8.068 4.684 -13.064 1.00 0.00 C ATOM 1637 C PRO A 99 7.709 5.909 -12.199 1.00 0.00 C ATOM 1638 O PRO A 99 8.219 6.040 -11.095 1.00 0.00 O ATOM 1639 CB PRO A 99 9.320 4.972 -13.914 1.00 0.00 C ATOM 1640 CG PRO A 99 8.776 5.473 -15.214 1.00 0.00 C ATOM 1641 CD PRO A 99 7.535 4.649 -15.458 1.00 0.00 C ATOM 0 HA PRO A 99 8.186 3.879 -12.339 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.962 5.714 -13.439 1.00 0.00 H new ATOM 0 HB3 PRO A 99 9.921 4.074 -14.054 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.540 6.536 -15.161 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.499 5.347 -16.020 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.794 5.201 -16.036 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.761 3.740 -16.015 1.00 0.00 H new ATOM 1649 N MET A 100 6.867 6.821 -12.729 1.00 0.00 N ATOM 1650 CA MET A 100 6.507 8.065 -12.004 1.00 0.00 C ATOM 1651 C MET A 100 5.321 7.850 -11.060 1.00 0.00 C ATOM 1652 O MET A 100 5.061 8.689 -10.186 1.00 0.00 O ATOM 1653 CB MET A 100 6.236 9.239 -12.973 1.00 0.00 C ATOM 1654 CG MET A 100 7.422 9.582 -13.887 1.00 0.00 C ATOM 1655 SD MET A 100 7.264 11.200 -14.683 1.00 0.00 S ATOM 1656 CE MET A 100 5.667 11.097 -15.497 1.00 0.00 C ATOM 0 H MET A 100 6.427 6.725 -13.644 1.00 0.00 H new ATOM 0 HA MET A 100 7.371 8.333 -11.395 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.373 8.994 -13.592 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.971 10.122 -12.392 1.00 0.00 H new ATOM 0 HG2 MET A 100 8.341 9.560 -13.302 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.515 8.814 -14.655 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.317 12.100 -15.740 1.00 0.00 H new ATOM 0 HE2 MET A 100 5.763 10.515 -16.413 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.951 10.614 -14.833 1.00 0.00 H new ATOM 1666 N THR A 101 4.611 6.723 -11.231 1.00 0.00 N ATOM 1667 CA THR A 101 3.541 6.307 -10.317 1.00 0.00 C ATOM 1668 C THR A 101 4.165 5.603 -9.102 1.00 0.00 C ATOM 1669 O THR A 101 5.127 4.840 -9.260 1.00 0.00 O ATOM 1670 CB THR A 101 2.505 5.370 -11.023 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.137 4.151 -11.444 1.00 0.00 O ATOM 1672 CG2 THR A 101 1.848 6.048 -12.245 1.00 0.00 C ATOM 0 H THR A 101 4.764 6.078 -12.006 1.00 0.00 H new ATOM 0 HA THR A 101 2.998 7.194 -9.992 1.00 0.00 H new ATOM 0 HB THR A 101 1.725 5.152 -10.293 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.063 4.336 -11.708 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.137 5.361 -12.703 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.327 6.950 -11.924 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.617 6.312 -12.971 1.00 0.00 H new ATOM 1680 N ALA A 102 3.596 5.853 -7.910 1.00 0.00 N ATOM 1681 CA ALA A 102 4.173 5.436 -6.614 1.00 0.00 C ATOM 1682 C ALA A 102 4.392 3.912 -6.505 1.00 0.00 C ATOM 1683 O ALA A 102 5.371 3.485 -5.881 1.00 0.00 O ATOM 1684 CB ALA A 102 3.289 5.935 -5.460 1.00 0.00 C ATOM 0 H ALA A 102 2.713 6.355 -7.815 1.00 0.00 H new ATOM 0 HA ALA A 102 5.161 5.893 -6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.722 5.623 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.229 7.023 -5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.289 5.513 -5.559 1.00 0.00 H new ATOM 1690 N LEU A 103 3.479 3.112 -7.120 1.00 0.00 N ATOM 1691 CA LEU A 103 3.594 1.628 -7.068 1.00 0.00 C ATOM 1692 C LEU A 103 4.913 1.230 -7.780 1.00 0.00 C ATOM 1693 O LEU A 103 5.725 0.460 -7.241 1.00 0.00 O ATOM 1694 CB LEU A 103 2.389 0.878 -7.722 1.00 0.00 C ATOM 1695 CG LEU A 103 2.411 -0.691 -7.555 1.00 0.00 C ATOM 1696 CD1 LEU A 103 2.345 -1.106 -6.063 1.00 0.00 C ATOM 1697 CD2 LEU A 103 1.296 -1.391 -8.376 1.00 0.00 C ATOM 0 H LEU A 103 2.675 3.458 -7.644 1.00 0.00 H new ATOM 0 HA LEU A 103 3.591 1.329 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.464 1.261 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.367 1.115 -8.786 1.00 0.00 H new ATOM 0 HG LEU A 103 3.365 -1.030 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.362 -2.193 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.202 -0.691 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.425 -0.726 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.356 -2.469 -8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.321 -1.032 -8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.427 -1.164 -9.434 1.00 0.00 H new ATOM 1709 N GLY A 104 5.160 1.852 -8.965 1.00 0.00 N ATOM 1710 CA GLY A 104 6.435 1.746 -9.663 1.00 0.00 C ATOM 1711 C GLY A 104 7.627 2.367 -8.964 1.00 0.00 C ATOM 1712 O GLY A 104 8.748 1.961 -9.228 1.00 0.00 O ATOM 0 H GLY A 104 4.474 2.433 -9.446 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.647 0.690 -9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.330 2.211 -10.643 1.00 0.00 H new ATOM 1716 N ARG A 105 7.433 3.317 -8.032 1.00 0.00 N ATOM 1717 CA ARG A 105 8.579 4.014 -7.415 1.00 0.00 C ATOM 1718 C ARG A 105 9.014 3.227 -6.188 1.00 0.00 C ATOM 1719 O ARG A 105 10.196 3.225 -5.821 1.00 0.00 O ATOM 1720 CB ARG A 105 8.233 5.462 -6.991 1.00 0.00 C ATOM 1721 CG ARG A 105 7.729 6.360 -8.131 1.00 0.00 C ATOM 1722 CD ARG A 105 7.835 7.855 -7.813 1.00 0.00 C ATOM 1723 NE ARG A 105 9.244 8.268 -7.660 1.00 0.00 N ATOM 1724 CZ ARG A 105 9.666 9.397 -7.085 1.00 0.00 C ATOM 1725 NH1 ARG A 105 8.811 10.244 -6.537 1.00 0.00 N ATOM 1726 NH2 ARG A 105 10.964 9.665 -7.047 1.00 0.00 N ATOM 0 H ARG A 105 6.518 3.616 -7.695 1.00 0.00 H new ATOM 0 HA ARG A 105 9.377 4.074 -8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.472 5.426 -6.211 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.119 5.919 -6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 105 8.301 6.146 -9.034 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.689 6.114 -8.346 1.00 0.00 H new ATOM 0 HD2 ARG A 105 7.368 8.433 -8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.287 8.075 -6.897 1.00 0.00 H new ATOM 0 HE ARG A 105 9.957 7.636 -8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.812 10.040 -6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 105 9.151 11.102 -6.102 1.00 0.00 H new ATOM 0 HH21 ARG A 105 11.632 9.011 -7.455 1.00 0.00 H new ATOM 0 HH22 ARG A 105 11.295 10.525 -6.610 1.00 0.00 H new ATOM 1740 N GLU A 106 8.041 2.529 -5.573 1.00 0.00 N ATOM 1741 CA GLU A 106 8.221 1.833 -4.304 1.00 0.00 C ATOM 1742 C GLU A 106 8.737 0.423 -4.595 1.00 0.00 C ATOM 1743 O GLU A 106 9.596 -0.090 -3.870 1.00 0.00 O ATOM 1744 CB GLU A 106 6.877 1.783 -3.521 1.00 0.00 C ATOM 1745 CG GLU A 106 7.000 1.381 -2.039 1.00 0.00 C ATOM 1746 CD GLU A 106 7.895 2.347 -1.241 1.00 0.00 C ATOM 1747 OE1 GLU A 106 7.477 3.507 -1.019 1.00 0.00 O ATOM 1748 OE2 GLU A 106 9.021 1.963 -0.850 1.00 0.00 O ATOM 0 H GLU A 106 7.100 2.437 -5.955 1.00 0.00 H new ATOM 0 HA GLU A 106 8.944 2.364 -3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.404 2.764 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.210 1.079 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.008 1.354 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.408 0.372 -1.972 1.00 0.00 H new ATOM 1755 N MET A 107 8.199 -0.200 -5.689 1.00 0.00 N ATOM 1756 CA MET A 107 8.671 -1.548 -6.104 1.00 0.00 C ATOM 1757 C MET A 107 10.070 -1.392 -6.787 1.00 0.00 C ATOM 1758 O MET A 107 10.725 -2.387 -7.103 1.00 0.00 O ATOM 1759 CB MET A 107 7.669 -2.240 -7.082 1.00 0.00 C ATOM 1760 CG MET A 107 6.395 -2.814 -6.432 1.00 0.00 C ATOM 1761 SD MET A 107 5.223 -3.486 -7.638 1.00 0.00 S ATOM 1762 CE MET A 107 6.208 -4.715 -8.503 1.00 0.00 C ATOM 0 H MET A 107 7.465 0.197 -6.276 1.00 0.00 H new ATOM 0 HA MET A 107 8.744 -2.183 -5.221 1.00 0.00 H new ATOM 0 HB2 MET A 107 7.374 -1.517 -7.843 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.190 -3.048 -7.595 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.675 -3.599 -5.730 1.00 0.00 H new ATOM 0 HG3 MET A 107 5.904 -2.030 -5.855 1.00 0.00 H new ATOM 0 HE1 MET A 107 5.586 -5.578 -8.740 1.00 0.00 H new ATOM 0 HE2 MET A 107 6.598 -4.285 -9.425 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.038 -5.028 -7.869 1.00 0.00 H new ATOM 1772 N GLY A 108 10.488 -0.116 -7.032 1.00 0.00 N ATOM 1773 CA GLY A 108 11.873 0.231 -7.409 1.00 0.00 C ATOM 1774 C GLY A 108 12.059 0.581 -8.883 1.00 0.00 C ATOM 1775 O GLY A 108 13.166 0.950 -9.301 1.00 0.00 O ATOM 0 H GLY A 108 9.869 0.692 -6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.200 1.077 -6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.524 -0.608 -7.163 1.00 0.00 H new ATOM 1779 N LEU A 109 10.978 0.486 -9.664 1.00 0.00 N ATOM 1780 CA LEU A 109 11.002 0.600 -11.131 1.00 0.00 C ATOM 1781 C LEU A 109 11.278 2.064 -11.564 1.00 0.00 C ATOM 1782 O LEU A 109 10.426 2.938 -11.397 1.00 0.00 O ATOM 1783 CB LEU A 109 9.638 0.101 -11.705 1.00 0.00 C ATOM 1784 CG LEU A 109 9.062 -1.210 -11.057 1.00 0.00 C ATOM 1785 CD1 LEU A 109 7.658 -1.551 -11.606 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.033 -2.407 -11.216 1.00 0.00 C ATOM 0 H LEU A 109 10.043 0.325 -9.290 1.00 0.00 H new ATOM 0 HA LEU A 109 11.807 -0.018 -11.527 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.902 0.896 -11.586 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.755 -0.067 -12.776 1.00 0.00 H new ATOM 0 HG LEU A 109 8.958 -1.015 -9.990 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.294 -2.464 -11.134 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.973 -0.732 -11.388 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.715 -1.699 -12.684 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.597 -3.293 -10.755 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.206 -2.597 -12.275 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.980 -2.174 -10.730 1.00 0.00 H new ATOM 1798 N GLU A 110 12.489 2.312 -12.098 1.00 0.00 N ATOM 1799 CA GLU A 110 12.914 3.639 -12.635 1.00 0.00 C ATOM 1800 C GLU A 110 12.621 3.737 -14.160 1.00 0.00 C ATOM 1801 O GLU A 110 13.103 4.639 -14.853 1.00 0.00 O ATOM 1802 CB GLU A 110 14.423 3.815 -12.356 1.00 0.00 C ATOM 1803 CG GLU A 110 15.302 2.753 -13.047 1.00 0.00 C ATOM 1804 CD GLU A 110 16.758 2.776 -12.573 1.00 0.00 C ATOM 1805 OE1 GLU A 110 17.043 2.241 -11.481 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.620 3.337 -13.275 1.00 0.00 O ATOM 0 H GLU A 110 13.213 1.598 -12.174 1.00 0.00 H new ATOM 0 HA GLU A 110 12.352 4.433 -12.144 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.733 4.805 -12.689 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.593 3.773 -11.280 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.881 1.765 -12.861 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.275 2.913 -14.125 1.00 0.00 H new ATOM 1813 N GLU A 111 11.760 2.822 -14.609 1.00 0.00 N ATOM 1814 CA GLU A 111 11.397 2.692 -16.036 1.00 0.00 C ATOM 1815 C GLU A 111 10.042 1.977 -16.152 1.00 0.00 C ATOM 1816 O GLU A 111 9.641 1.263 -15.216 1.00 0.00 O ATOM 1817 CB GLU A 111 12.524 1.926 -16.780 1.00 0.00 C ATOM 1818 CG GLU A 111 12.804 0.515 -16.221 1.00 0.00 C ATOM 1819 CD GLU A 111 14.149 -0.057 -16.680 1.00 0.00 C ATOM 1820 OE1 GLU A 111 14.216 -0.668 -17.766 1.00 0.00 O ATOM 1821 OE2 GLU A 111 15.152 0.120 -15.959 1.00 0.00 O ATOM 0 H GLU A 111 11.292 2.149 -14.002 1.00 0.00 H new ATOM 0 HA GLU A 111 11.296 3.674 -16.499 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.256 1.841 -17.833 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.441 2.513 -16.731 1.00 0.00 H new ATOM 0 HG2 GLU A 111 12.784 0.552 -15.132 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.005 -0.158 -16.532 1.00 0.00 H new ATOM 1828 N MET A 112 9.302 2.223 -17.266 1.00 0.00 N ATOM 1829 CA MET A 112 8.000 1.575 -17.507 1.00 0.00 C ATOM 1830 C MET A 112 8.222 0.071 -17.653 1.00 0.00 C ATOM 1831 O MET A 112 8.928 -0.363 -18.552 1.00 0.00 O ATOM 1832 CB MET A 112 7.295 2.130 -18.777 1.00 0.00 C ATOM 1833 CG MET A 112 6.084 1.289 -19.241 1.00 0.00 C ATOM 1834 SD MET A 112 5.069 2.093 -20.496 1.00 0.00 S ATOM 1835 CE MET A 112 4.199 3.301 -19.501 1.00 0.00 C ATOM 0 H MET A 112 9.590 2.865 -18.005 1.00 0.00 H new ATOM 0 HA MET A 112 7.349 1.788 -16.659 1.00 0.00 H new ATOM 0 HB2 MET A 112 6.963 3.149 -18.580 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.020 2.183 -19.589 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.444 0.338 -19.634 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.461 1.061 -18.376 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.220 3.495 -19.938 1.00 0.00 H new ATOM 0 HE2 MET A 112 4.075 2.917 -18.489 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.772 4.227 -19.470 1.00 0.00 H new ATOM 1845 N THR A 113 7.645 -0.685 -16.733 1.00 0.00 N ATOM 1846 CA THR A 113 7.867 -2.126 -16.655 1.00 0.00 C ATOM 1847 C THR A 113 6.643 -2.892 -17.178 1.00 0.00 C ATOM 1848 O THR A 113 5.534 -2.367 -17.158 1.00 0.00 O ATOM 1849 CB THR A 113 8.235 -2.542 -15.195 1.00 0.00 C ATOM 1850 OG1 THR A 113 9.202 -1.614 -14.666 1.00 0.00 O ATOM 1851 CG2 THR A 113 8.834 -3.957 -15.123 1.00 0.00 C ATOM 0 H THR A 113 7.012 -0.322 -16.021 1.00 0.00 H new ATOM 0 HA THR A 113 8.710 -2.388 -17.294 1.00 0.00 H new ATOM 0 HB THR A 113 7.313 -2.531 -14.613 1.00 0.00 H new ATOM 0 HG1 THR A 113 10.021 -2.096 -14.426 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.073 -4.199 -14.087 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.112 -4.678 -15.507 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.742 -3.999 -15.724 1.00 0.00 H new ATOM 1859 N GLY A 114 6.869 -4.125 -17.676 1.00 0.00 N ATOM 1860 CA GLY A 114 5.758 -5.048 -17.927 1.00 0.00 C ATOM 1861 C GLY A 114 5.985 -6.484 -17.484 1.00 0.00 C ATOM 1862 O GLY A 114 7.110 -6.899 -17.223 1.00 0.00 O ATOM 0 H GLY A 114 7.792 -4.493 -17.906 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.871 -4.667 -17.421 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.542 -5.046 -18.995 1.00 0.00 H new ATOM 1866 N PHE A 115 4.904 -7.297 -17.477 1.00 0.00 N ATOM 1867 CA PHE A 115 4.908 -8.645 -16.872 1.00 0.00 C ATOM 1868 C PHE A 115 3.761 -9.470 -17.486 1.00 0.00 C ATOM 1869 O PHE A 115 2.678 -8.922 -17.718 1.00 0.00 O ATOM 1870 CB PHE A 115 4.670 -8.595 -15.332 1.00 0.00 C ATOM 1871 CG PHE A 115 5.650 -7.771 -14.491 1.00 0.00 C ATOM 1872 CD1 PHE A 115 6.858 -8.309 -14.057 1.00 0.00 C ATOM 1873 CD2 PHE A 115 5.343 -6.457 -14.123 1.00 0.00 C ATOM 1874 CE1 PHE A 115 7.721 -7.572 -13.270 1.00 0.00 C ATOM 1875 CE2 PHE A 115 6.211 -5.721 -13.338 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.400 -6.278 -12.913 1.00 0.00 C ATOM 0 H PHE A 115 4.008 -7.037 -17.890 1.00 0.00 H new ATOM 0 HA PHE A 115 5.884 -9.089 -17.067 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.667 -8.204 -15.159 1.00 0.00 H new ATOM 0 HB3 PHE A 115 4.682 -9.618 -14.956 1.00 0.00 H new ATOM 0 HD1 PHE A 115 7.124 -9.317 -14.340 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.417 -6.012 -14.456 1.00 0.00 H new ATOM 0 HE1 PHE A 115 8.649 -8.009 -12.933 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.958 -4.709 -13.057 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.079 -5.702 -12.302 1.00 0.00 H new ATOM 1886 N SER A 116 4.002 -10.776 -17.742 1.00 0.00 N ATOM 1887 CA SER A 116 2.859 -11.707 -17.942 1.00 0.00 C ATOM 1888 C SER A 116 3.223 -13.190 -17.700 1.00 0.00 C ATOM 1889 O SER A 116 4.396 -13.567 -17.530 1.00 0.00 O ATOM 1890 CB SER A 116 2.324 -11.537 -19.400 1.00 0.00 C ATOM 1891 OG SER A 116 1.141 -12.288 -19.638 1.00 0.00 O ATOM 0 H SER A 116 4.928 -11.198 -17.813 1.00 0.00 H new ATOM 0 HA SER A 116 2.099 -11.449 -17.204 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.125 -10.482 -19.590 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.095 -11.847 -20.105 1.00 0.00 H new ATOM 0 HG SER A 116 0.462 -11.709 -20.042 1.00 0.00 H new ATOM 1897 N LYS A 117 2.158 -14.016 -17.725 1.00 0.00 N ATOM 1898 CA LYS A 117 2.210 -15.485 -17.655 1.00 0.00 C ATOM 1899 C LYS A 117 2.288 -16.096 -19.065 1.00 0.00 C ATOM 1900 O LYS A 117 2.552 -17.294 -19.224 1.00 0.00 O ATOM 1901 CB LYS A 117 0.943 -15.993 -16.921 1.00 0.00 C ATOM 1902 CG LYS A 117 0.864 -15.586 -15.432 1.00 0.00 C ATOM 1903 CD LYS A 117 1.880 -16.350 -14.552 1.00 0.00 C ATOM 1904 CE LYS A 117 1.642 -17.869 -14.563 1.00 0.00 C ATOM 1905 NZ LYS A 117 2.552 -18.584 -13.641 1.00 0.00 N ATOM 0 H LYS A 117 1.204 -13.662 -17.797 1.00 0.00 H new ATOM 0 HA LYS A 117 3.103 -15.789 -17.109 1.00 0.00 H new ATOM 0 HB2 LYS A 117 0.061 -15.612 -17.437 1.00 0.00 H new ATOM 0 HB3 LYS A 117 0.908 -17.080 -16.991 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.044 -14.515 -15.342 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.144 -15.772 -15.061 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.890 -16.141 -14.904 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.817 -15.983 -13.528 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.609 -18.075 -14.284 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.780 -18.249 -15.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.356 -19.604 -13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.538 -18.410 -13.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.403 -18.241 -12.671 1.00 0.00 H new ATOM 1919 N THR A 118 2.050 -15.255 -20.075 1.00 0.00 N ATOM 1920 CA THR A 118 2.068 -15.631 -21.492 1.00 0.00 C ATOM 1921 C THR A 118 3.083 -14.749 -22.219 1.00 0.00 C ATOM 1922 O THR A 118 3.382 -13.635 -21.767 1.00 0.00 O ATOM 1923 CB THR A 118 0.655 -15.446 -22.152 1.00 0.00 C ATOM 1924 OG1 THR A 118 0.156 -14.120 -21.875 1.00 0.00 O ATOM 1925 CG2 THR A 118 -0.366 -16.491 -21.661 1.00 0.00 C ATOM 0 H THR A 118 1.834 -14.269 -19.927 1.00 0.00 H new ATOM 0 HA THR A 118 2.342 -16.683 -21.570 1.00 0.00 H new ATOM 0 HB THR A 118 0.780 -15.588 -23.226 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.725 -14.009 -22.290 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.326 -16.319 -22.148 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.009 -17.491 -21.906 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.486 -16.403 -20.581 1.00 0.00 H new ATOM 1933 N THR A 119 3.624 -15.270 -23.332 1.00 0.00 N ATOM 1934 CA THR A 119 4.464 -14.499 -24.257 1.00 0.00 C ATOM 1935 C THR A 119 3.648 -13.329 -24.851 1.00 0.00 C ATOM 1936 O THR A 119 2.431 -13.460 -25.039 1.00 0.00 O ATOM 1937 CB THR A 119 5.036 -15.425 -25.390 1.00 0.00 C ATOM 1938 OG1 THR A 119 5.903 -14.678 -26.258 1.00 0.00 O ATOM 1939 CG2 THR A 119 3.934 -16.112 -26.226 1.00 0.00 C ATOM 0 H THR A 119 3.490 -16.241 -23.615 1.00 0.00 H new ATOM 0 HA THR A 119 5.312 -14.087 -23.709 1.00 0.00 H new ATOM 0 HB THR A 119 5.598 -16.212 -24.887 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.253 -15.268 -26.958 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.394 -16.737 -26.991 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.316 -16.731 -25.575 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.313 -15.354 -26.702 1.00 0.00 H new ATOM 1947 N PHE A 120 4.304 -12.190 -25.114 1.00 0.00 N ATOM 1948 CA PHE A 120 3.611 -10.974 -25.567 1.00 0.00 C ATOM 1949 C PHE A 120 3.400 -11.039 -27.107 1.00 0.00 C ATOM 1950 O PHE A 120 4.210 -10.468 -27.867 1.00 0.00 O ATOM 1951 CB PHE A 120 4.395 -9.678 -25.163 1.00 0.00 C ATOM 1952 CG PHE A 120 4.853 -9.522 -23.696 1.00 0.00 C ATOM 1953 CD1 PHE A 120 4.561 -10.466 -22.706 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.609 -8.407 -23.324 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.008 -10.296 -21.409 1.00 0.00 C ATOM 1956 CE2 PHE A 120 6.054 -8.241 -22.025 1.00 0.00 C ATOM 1957 CZ PHE A 120 5.756 -9.186 -21.070 1.00 0.00 C ATOM 1958 OXT PHE A 120 2.457 -11.715 -27.551 1.00 0.00 O ATOM 0 H PHE A 120 5.314 -12.085 -25.021 1.00 0.00 H new ATOM 0 HA PHE A 120 2.640 -10.926 -25.074 1.00 0.00 H new ATOM 0 HB2 PHE A 120 5.281 -9.615 -25.795 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.767 -8.821 -25.408 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.978 -11.340 -22.958 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.851 -7.660 -24.066 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.771 -11.035 -20.658 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.635 -7.370 -21.760 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.107 -9.060 -20.056 1.00 0.00 H new