USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 770 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 53 TYR OH : rot -176:sc= 0.34 USER MOD Set 1.2: A 111 HIS : no HD1:sc= 0.158 K(o=0.5,f=-0.093) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= 0.0739 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.0702 X(o=0.14,f=0.012) USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= -1.13 (180deg=-3.38!) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 2.13 (180deg=2.06) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -89:sc= 0.824 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= 1.09 (180deg=0.985) USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= 0.957 (180deg=0.932) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -172:sc=-0.00722 (180deg=-0.177) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 49:sc= 0.909 USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= 0.117 (180deg=-0.0734) USER MOD Single : A 83 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.059) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0107) USER MOD Single : A 91 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0518) USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= 0.664 (180deg=0.53) USER MOD Single : A 110 ASN : amide:sc= 1.58 K(o=1.6,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -174:sc= 0.997 (180deg=0.822) USER MOD Single : A 120 HIS : no HD1:sc= -0.0344 X(o=-0.034,f=-0.0071) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot -89:sc= -0.2 USER MOD Single : A 135 LYS NZ :NH3+ -166:sc= 1.8 (180deg=1.3) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 43 -16.650 -4.836 -0.487 1.00 1.02 N ATOM 102 CA GLU A 43 -15.704 -5.686 0.229 1.00 0.97 C ATOM 103 C GLU A 43 -14.275 -5.369 -0.196 1.00 0.80 C ATOM 104 O GLU A 43 -13.959 -5.358 -1.388 1.00 0.79 O ATOM 105 CB GLU A 43 -16.004 -7.163 -0.049 1.00 1.17 C ATOM 106 CG GLU A 43 -17.365 -7.630 0.447 1.00 1.78 C ATOM 107 CD GLU A 43 -17.474 -7.651 1.961 1.00 2.27 C ATOM 108 OE1 GLU A 43 -17.079 -8.661 2.575 1.00 2.15 O ATOM 109 OE2 GLU A 43 -17.940 -6.646 2.544 1.00 3.10 O ATOM 0 HA GLU A 43 -15.809 -5.491 1.296 1.00 0.97 H new ATOM 0 HB2 GLU A 43 -15.942 -7.338 -1.123 1.00 1.17 H new ATOM 0 HB3 GLU A 43 -15.231 -7.773 0.419 1.00 1.17 H new ATOM 0 HG2 GLU A 43 -18.136 -6.975 0.043 1.00 1.78 H new ATOM 0 HG3 GLU A 43 -17.562 -8.630 0.061 1.00 1.78 H new ATOM 116 N TRP A 44 -13.420 -5.095 0.776 1.00 0.71 N ATOM 117 CA TRP A 44 -12.013 -4.842 0.501 1.00 0.60 C ATOM 118 C TRP A 44 -11.282 -6.173 0.355 1.00 0.60 C ATOM 119 O TRP A 44 -11.000 -6.853 1.342 1.00 0.64 O ATOM 120 CB TRP A 44 -11.398 -3.992 1.618 1.00 0.57 C ATOM 121 CG TRP A 44 -10.105 -3.330 1.246 1.00 0.48 C ATOM 122 CD1 TRP A 44 -9.857 -2.584 0.128 1.00 0.50 C ATOM 123 CD2 TRP A 44 -8.891 -3.324 2.010 1.00 0.44 C ATOM 124 NE1 TRP A 44 -8.561 -2.129 0.143 1.00 0.46 N ATOM 125 CE2 TRP A 44 -7.949 -2.565 1.289 1.00 0.41 C ATOM 126 CE3 TRP A 44 -8.506 -3.886 3.232 1.00 0.48 C ATOM 127 CZ2 TRP A 44 -6.652 -2.356 1.749 1.00 0.41 C ATOM 128 CZ3 TRP A 44 -7.217 -3.674 3.688 1.00 0.49 C ATOM 129 CH2 TRP A 44 -6.306 -2.913 2.947 1.00 0.44 C ATOM 0 H TRP A 44 -13.674 -5.042 1.762 1.00 0.71 H new ATOM 0 HA TRP A 44 -11.916 -4.285 -0.431 1.00 0.60 H new ATOM 0 HB2 TRP A 44 -12.115 -3.225 1.912 1.00 0.57 H new ATOM 0 HB3 TRP A 44 -11.232 -4.624 2.490 1.00 0.57 H new ATOM 0 HD1 TRP A 44 -10.575 -2.382 -0.653 1.00 0.50 H new ATOM 0 HE1 TRP A 44 -8.125 -1.559 -0.582 1.00 0.46 H new ATOM 0 HE3 TRP A 44 -9.203 -4.475 3.809 1.00 0.48 H new ATOM 0 HZ2 TRP A 44 -5.944 -1.774 1.178 1.00 0.41 H new ATOM 0 HZ3 TRP A 44 -6.909 -4.102 4.630 1.00 0.49 H new ATOM 0 HH2 TRP A 44 -5.308 -2.763 3.331 1.00 0.44 H new ATOM 140 N VAL A 45 -10.996 -6.542 -0.889 1.00 0.61 N ATOM 141 CA VAL A 45 -10.431 -7.853 -1.209 1.00 0.64 C ATOM 142 C VAL A 45 -9.081 -8.101 -0.537 1.00 0.57 C ATOM 143 O VAL A 45 -8.661 -9.242 -0.393 1.00 0.69 O ATOM 144 CB VAL A 45 -10.278 -8.045 -2.732 1.00 0.72 C ATOM 145 CG1 VAL A 45 -11.640 -8.114 -3.397 1.00 1.45 C ATOM 146 CG2 VAL A 45 -9.445 -6.927 -3.338 1.00 1.28 C ATOM 0 H VAL A 45 -11.148 -5.946 -1.702 1.00 0.61 H new ATOM 0 HA VAL A 45 -11.142 -8.580 -0.817 1.00 0.64 H new ATOM 0 HB VAL A 45 -9.759 -8.987 -2.906 1.00 0.72 H new ATOM 0 HG11 VAL A 45 -11.514 -8.250 -4.471 1.00 1.45 H new ATOM 0 HG12 VAL A 45 -12.202 -8.954 -2.989 1.00 1.45 H new ATOM 0 HG13 VAL A 45 -12.184 -7.188 -3.210 1.00 1.45 H new ATOM 0 HG21 VAL A 45 -9.351 -7.085 -4.412 1.00 1.28 H new ATOM 0 HG22 VAL A 45 -9.931 -5.969 -3.153 1.00 1.28 H new ATOM 0 HG23 VAL A 45 -8.454 -6.924 -2.884 1.00 1.28 H new ATOM 156 N VAL A 46 -8.414 -7.036 -0.120 1.00 0.46 N ATOM 157 CA VAL A 46 -7.107 -7.153 0.511 1.00 0.42 C ATOM 158 C VAL A 46 -7.245 -7.576 1.977 1.00 0.38 C ATOM 159 O VAL A 46 -6.296 -8.062 2.592 1.00 0.41 O ATOM 160 CB VAL A 46 -6.333 -5.819 0.423 1.00 0.46 C ATOM 161 CG1 VAL A 46 -4.911 -5.973 0.939 1.00 0.54 C ATOM 162 CG2 VAL A 46 -6.329 -5.294 -1.005 1.00 1.10 C ATOM 0 H VAL A 46 -8.756 -6.079 -0.207 1.00 0.46 H new ATOM 0 HA VAL A 46 -6.548 -7.920 -0.025 1.00 0.42 H new ATOM 0 HB VAL A 46 -6.844 -5.094 1.057 1.00 0.46 H new ATOM 0 HG11 VAL A 46 -4.391 -5.018 0.864 1.00 0.54 H new ATOM 0 HG12 VAL A 46 -4.935 -6.293 1.981 1.00 0.54 H new ATOM 0 HG13 VAL A 46 -4.386 -6.719 0.342 1.00 0.54 H new ATOM 0 HG21 VAL A 46 -5.779 -4.354 -1.045 1.00 1.10 H new ATOM 0 HG22 VAL A 46 -5.851 -6.023 -1.659 1.00 1.10 H new ATOM 0 HG23 VAL A 46 -7.355 -5.129 -1.335 1.00 1.10 H new ATOM 172 N GLY A 47 -8.449 -7.428 2.516 1.00 0.40 N ATOM 173 CA GLY A 47 -8.673 -7.703 3.920 1.00 0.47 C ATOM 174 C GLY A 47 -8.687 -9.186 4.250 1.00 0.49 C ATOM 175 O GLY A 47 -8.686 -9.560 5.422 1.00 0.59 O ATOM 0 H GLY A 47 -9.276 -7.121 2.003 1.00 0.40 H new ATOM 0 HA2 GLY A 47 -7.895 -7.215 4.507 1.00 0.47 H new ATOM 0 HA3 GLY A 47 -9.623 -7.262 4.222 1.00 0.47 H new ATOM 179 N LYS A 48 -8.694 -10.038 3.229 1.00 0.49 N ATOM 180 CA LYS A 48 -8.734 -11.478 3.456 1.00 0.61 C ATOM 181 C LYS A 48 -7.334 -12.034 3.711 1.00 0.60 C ATOM 182 O LYS A 48 -7.173 -13.028 4.423 1.00 0.73 O ATOM 183 CB LYS A 48 -9.397 -12.197 2.274 1.00 0.72 C ATOM 184 CG LYS A 48 -8.665 -12.038 0.951 1.00 0.74 C ATOM 185 CD LYS A 48 -9.383 -12.739 -0.201 1.00 0.96 C ATOM 186 CE LYS A 48 -10.729 -12.097 -0.517 1.00 1.82 C ATOM 187 NZ LYS A 48 -11.811 -12.566 0.390 1.00 2.46 N ATOM 0 H LYS A 48 -8.673 -9.760 2.248 1.00 0.49 H new ATOM 0 HA LYS A 48 -9.335 -11.660 4.347 1.00 0.61 H new ATOM 0 HB2 LYS A 48 -9.474 -13.259 2.507 1.00 0.72 H new ATOM 0 HB3 LYS A 48 -10.414 -11.821 2.160 1.00 0.72 H new ATOM 0 HG2 LYS A 48 -8.564 -10.978 0.720 1.00 0.74 H new ATOM 0 HG3 LYS A 48 -7.657 -12.441 1.046 1.00 0.74 H new ATOM 0 HD2 LYS A 48 -8.752 -12.713 -1.090 1.00 0.96 H new ATOM 0 HD3 LYS A 48 -9.533 -13.789 0.052 1.00 0.96 H new ATOM 0 HE2 LYS A 48 -10.638 -11.014 -0.439 1.00 1.82 H new ATOM 0 HE3 LYS A 48 -11.001 -12.321 -1.548 1.00 1.82 H new ATOM 0 HZ1 LYS A 48 -12.612 -12.913 -0.175 1.00 2.46 H new ATOM 0 HZ2 LYS A 48 -11.452 -13.335 0.990 1.00 2.46 H new ATOM 0 HZ3 LYS A 48 -12.127 -11.778 0.990 1.00 2.46 H new ATOM 201 N ASP A 49 -6.320 -11.375 3.164 1.00 0.48 N ATOM 202 CA ASP A 49 -4.947 -11.829 3.337 1.00 0.50 C ATOM 203 C ASP A 49 -4.251 -11.006 4.412 1.00 0.44 C ATOM 204 O ASP A 49 -3.039 -10.793 4.358 1.00 0.45 O ATOM 205 CB ASP A 49 -4.163 -11.686 2.031 1.00 0.60 C ATOM 206 CG ASP A 49 -4.782 -12.426 0.862 1.00 1.16 C ATOM 207 OD1 ASP A 49 -4.618 -13.663 0.792 1.00 1.52 O ATOM 208 OD2 ASP A 49 -5.459 -11.779 0.034 1.00 1.66 O ATOM 0 H ASP A 49 -6.421 -10.531 2.601 1.00 0.48 H new ATOM 0 HA ASP A 49 -4.977 -12.878 3.632 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -4.085 -10.628 1.779 1.00 0.60 H new ATOM 0 HB3 ASP A 49 -3.148 -12.053 2.185 1.00 0.60 H new ATOM 213 N LYS A 50 -5.007 -10.595 5.418 1.00 0.43 N ATOM 214 CA LYS A 50 -4.475 -9.747 6.476 1.00 0.49 C ATOM 215 C LYS A 50 -3.473 -10.480 7.380 1.00 0.45 C ATOM 216 O LYS A 50 -2.375 -9.970 7.582 1.00 0.45 O ATOM 217 CB LYS A 50 -5.603 -9.129 7.307 1.00 0.70 C ATOM 218 CG LYS A 50 -6.016 -7.743 6.837 1.00 0.72 C ATOM 219 CD LYS A 50 -4.816 -6.815 6.749 1.00 0.90 C ATOM 220 CE LYS A 50 -5.232 -5.391 6.434 1.00 1.01 C ATOM 221 NZ LYS A 50 -5.911 -4.744 7.584 1.00 1.15 N ATOM 0 H LYS A 50 -5.993 -10.835 5.525 1.00 0.43 H new ATOM 0 HA LYS A 50 -3.926 -8.946 5.981 1.00 0.49 H new ATOM 0 HB2 LYS A 50 -6.470 -9.788 7.274 1.00 0.70 H new ATOM 0 HB3 LYS A 50 -5.286 -9.071 8.348 1.00 0.70 H new ATOM 0 HG2 LYS A 50 -6.496 -7.815 5.861 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -6.752 -7.327 7.525 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -4.270 -6.835 7.692 1.00 0.90 H new ATOM 0 HD3 LYS A 50 -4.134 -7.174 5.979 1.00 0.90 H new ATOM 0 HE2 LYS A 50 -4.353 -4.809 6.158 1.00 1.01 H new ATOM 0 HE3 LYS A 50 -5.899 -5.390 5.572 1.00 1.01 H new ATOM 0 HZ1 LYS A 50 -6.118 -3.752 7.351 1.00 1.15 H new ATOM 0 HZ2 LYS A 50 -6.799 -5.244 7.789 1.00 1.15 H new ATOM 0 HZ3 LYS A 50 -5.292 -4.782 8.419 1.00 1.15 H new ATOM 235 N PRO A 51 -3.810 -11.675 7.926 1.00 0.49 N ATOM 236 CA PRO A 51 -2.917 -12.415 8.838 1.00 0.58 C ATOM 237 C PRO A 51 -1.484 -12.536 8.313 1.00 0.46 C ATOM 238 O PRO A 51 -0.518 -12.380 9.061 1.00 0.47 O ATOM 239 CB PRO A 51 -3.559 -13.809 8.939 1.00 0.69 C ATOM 240 CG PRO A 51 -4.672 -13.829 7.941 1.00 0.75 C ATOM 241 CD PRO A 51 -5.075 -12.400 7.733 1.00 0.55 C ATOM 0 HA PRO A 51 -2.825 -11.899 9.794 1.00 0.58 H new ATOM 0 HB2 PRO A 51 -2.830 -14.590 8.724 1.00 0.69 H new ATOM 0 HB3 PRO A 51 -3.935 -13.992 9.945 1.00 0.69 H new ATOM 0 HG2 PRO A 51 -4.347 -14.282 7.004 1.00 0.75 H new ATOM 0 HG3 PRO A 51 -5.511 -14.421 8.306 1.00 0.75 H new ATOM 0 HD2 PRO A 51 -5.487 -12.237 6.737 1.00 0.55 H new ATOM 0 HD3 PRO A 51 -5.835 -12.086 8.448 1.00 0.55 H new ATOM 249 N THR A 52 -1.358 -12.811 7.025 1.00 0.38 N ATOM 250 CA THR A 52 -0.054 -12.964 6.406 1.00 0.36 C ATOM 251 C THR A 52 0.664 -11.617 6.304 1.00 0.26 C ATOM 252 O THR A 52 1.872 -11.510 6.553 1.00 0.28 O ATOM 253 CB THR A 52 -0.193 -13.592 5.006 1.00 0.42 C ATOM 254 OG1 THR A 52 -1.010 -14.771 5.076 1.00 0.68 O ATOM 255 CG2 THR A 52 1.168 -13.950 4.423 1.00 0.66 C ATOM 0 H THR A 52 -2.145 -12.933 6.388 1.00 0.38 H new ATOM 0 HA THR A 52 0.541 -13.626 7.035 1.00 0.36 H new ATOM 0 HB THR A 52 -0.664 -12.856 4.354 1.00 0.42 H new ATOM 0 HG1 THR A 52 -1.095 -15.164 4.182 1.00 0.68 H new ATOM 0 HG21 THR A 52 1.036 -14.391 3.435 1.00 0.66 H new ATOM 0 HG22 THR A 52 1.777 -13.050 4.340 1.00 0.66 H new ATOM 0 HG23 THR A 52 1.667 -14.666 5.076 1.00 0.66 H new ATOM 263 N TYR A 53 -0.080 -10.573 5.972 1.00 0.22 N ATOM 264 CA TYR A 53 0.525 -9.272 5.763 1.00 0.23 C ATOM 265 C TYR A 53 0.812 -8.580 7.091 1.00 0.23 C ATOM 266 O TYR A 53 1.680 -7.715 7.155 1.00 0.24 O ATOM 267 CB TYR A 53 -0.357 -8.380 4.888 1.00 0.33 C ATOM 268 CG TYR A 53 -0.621 -8.929 3.498 1.00 0.39 C ATOM 269 CD1 TYR A 53 0.275 -9.806 2.899 1.00 0.41 C ATOM 270 CD2 TYR A 53 -1.756 -8.567 2.783 1.00 0.53 C ATOM 271 CE1 TYR A 53 0.046 -10.312 1.634 1.00 0.49 C ATOM 272 CE2 TYR A 53 -1.991 -9.068 1.516 1.00 0.62 C ATOM 273 CZ TYR A 53 -1.123 -9.933 0.951 1.00 0.57 C ATOM 274 OH TYR A 53 -1.310 -10.441 -0.318 1.00 0.69 O ATOM 0 H TYR A 53 -1.091 -10.602 5.843 1.00 0.22 H new ATOM 0 HA TYR A 53 1.469 -9.436 5.244 1.00 0.23 H new ATOM 0 HB2 TYR A 53 -1.311 -8.227 5.392 1.00 0.33 H new ATOM 0 HB3 TYR A 53 0.115 -7.402 4.795 1.00 0.33 H new ATOM 0 HD1 TYR A 53 1.168 -10.098 3.433 1.00 0.41 H new ATOM 0 HD2 TYR A 53 -2.466 -7.883 3.224 1.00 0.53 H new ATOM 0 HE1 TYR A 53 0.754 -10.988 1.177 1.00 0.49 H new ATOM 0 HE2 TYR A 53 -2.875 -8.765 0.975 1.00 0.62 H new ATOM 0 HH TYR A 53 -2.122 -10.056 -0.708 1.00 0.69 H new ATOM 284 N ASP A 54 0.116 -8.973 8.158 1.00 0.28 N ATOM 285 CA ASP A 54 0.418 -8.424 9.476 1.00 0.35 C ATOM 286 C ASP A 54 1.599 -9.178 10.066 1.00 0.33 C ATOM 287 O ASP A 54 2.349 -8.644 10.881 1.00 0.35 O ATOM 288 CB ASP A 54 -0.804 -8.444 10.419 1.00 0.51 C ATOM 289 CG ASP A 54 -1.036 -9.766 11.136 1.00 1.35 C ATOM 290 OD1 ASP A 54 -0.231 -10.115 12.017 1.00 1.83 O ATOM 291 OD2 ASP A 54 -1.994 -10.488 10.785 1.00 2.18 O ATOM 0 H ASP A 54 -0.643 -9.654 8.137 1.00 0.28 H new ATOM 0 HA ASP A 54 0.681 -7.372 9.362 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -0.682 -7.659 11.165 1.00 0.51 H new ATOM 0 HB3 ASP A 54 -1.695 -8.199 9.841 1.00 0.51 H new ATOM 296 N GLU A 55 1.771 -10.417 9.613 1.00 0.35 N ATOM 297 CA GLU A 55 2.971 -11.184 9.907 1.00 0.43 C ATOM 298 C GLU A 55 4.188 -10.433 9.371 1.00 0.38 C ATOM 299 O GLU A 55 5.214 -10.314 10.041 1.00 0.46 O ATOM 300 CB GLU A 55 2.877 -12.568 9.257 1.00 0.54 C ATOM 301 CG GLU A 55 4.065 -13.473 9.534 1.00 1.31 C ATOM 302 CD GLU A 55 4.103 -13.963 10.968 1.00 1.54 C ATOM 303 OE1 GLU A 55 3.339 -14.896 11.299 1.00 1.65 O ATOM 304 OE2 GLU A 55 4.907 -13.431 11.765 1.00 2.33 O ATOM 0 H GLU A 55 1.088 -10.911 9.038 1.00 0.35 H new ATOM 0 HA GLU A 55 3.070 -11.312 10.985 1.00 0.43 H new ATOM 0 HB2 GLU A 55 1.971 -13.061 9.609 1.00 0.54 H new ATOM 0 HB3 GLU A 55 2.774 -12.444 8.179 1.00 0.54 H new ATOM 0 HG2 GLU A 55 4.028 -14.330 8.862 1.00 1.31 H new ATOM 0 HG3 GLU A 55 4.987 -12.934 9.314 1.00 1.31 H new ATOM 311 N ILE A 56 4.054 -9.902 8.159 1.00 0.32 N ATOM 312 CA ILE A 56 5.127 -9.123 7.546 1.00 0.35 C ATOM 313 C ILE A 56 5.196 -7.722 8.166 1.00 0.32 C ATOM 314 O ILE A 56 6.274 -7.154 8.334 1.00 0.45 O ATOM 315 CB ILE A 56 4.926 -8.982 6.016 1.00 0.39 C ATOM 316 CG1 ILE A 56 4.612 -10.342 5.377 1.00 0.45 C ATOM 317 CG2 ILE A 56 6.155 -8.361 5.363 1.00 0.45 C ATOM 318 CD1 ILE A 56 5.678 -11.388 5.592 1.00 0.64 C ATOM 0 H ILE A 56 3.217 -9.996 7.583 1.00 0.32 H new ATOM 0 HA ILE A 56 6.058 -9.659 7.732 1.00 0.35 H new ATOM 0 HB ILE A 56 4.076 -8.320 5.850 1.00 0.39 H new ATOM 0 HG12 ILE A 56 3.670 -10.712 5.781 1.00 0.45 H new ATOM 0 HG13 ILE A 56 4.467 -10.202 4.306 1.00 0.45 H new ATOM 0 HG21 ILE A 56 5.991 -8.272 4.289 1.00 0.45 H new ATOM 0 HG22 ILE A 56 6.331 -7.372 5.786 1.00 0.45 H new ATOM 0 HG23 ILE A 56 7.023 -8.994 5.546 1.00 0.45 H new ATOM 0 HD11 ILE A 56 5.378 -12.318 5.109 1.00 0.64 H new ATOM 0 HD12 ILE A 56 6.618 -11.043 5.162 1.00 0.64 H new ATOM 0 HD13 ILE A 56 5.809 -11.560 6.660 1.00 0.64 H new ATOM 330 N PHE A 57 4.038 -7.182 8.518 1.00 0.20 N ATOM 331 CA PHE A 57 3.940 -5.829 9.055 1.00 0.19 C ATOM 332 C PHE A 57 4.629 -5.718 10.411 1.00 0.16 C ATOM 333 O PHE A 57 5.405 -4.794 10.653 1.00 0.15 O ATOM 334 CB PHE A 57 2.464 -5.431 9.179 1.00 0.21 C ATOM 335 CG PHE A 57 2.243 -4.006 9.593 1.00 0.21 C ATOM 336 CD1 PHE A 57 2.423 -2.971 8.692 1.00 0.26 C ATOM 337 CD2 PHE A 57 1.845 -3.703 10.885 1.00 0.22 C ATOM 338 CE1 PHE A 57 2.210 -1.662 9.072 1.00 0.29 C ATOM 339 CE2 PHE A 57 1.630 -2.396 11.270 1.00 0.25 C ATOM 340 CZ PHE A 57 1.813 -1.375 10.361 1.00 0.27 C ATOM 0 H PHE A 57 3.143 -7.665 8.441 1.00 0.20 H new ATOM 0 HA PHE A 57 4.446 -5.150 8.368 1.00 0.19 H new ATOM 0 HB2 PHE A 57 1.972 -5.599 8.221 1.00 0.21 H new ATOM 0 HB3 PHE A 57 1.982 -6.087 9.904 1.00 0.21 H new ATOM 0 HD1 PHE A 57 2.733 -3.190 7.681 1.00 0.26 H new ATOM 0 HD2 PHE A 57 1.701 -4.500 11.600 1.00 0.22 H new ATOM 0 HE1 PHE A 57 2.354 -0.863 8.360 1.00 0.29 H new ATOM 0 HE2 PHE A 57 1.319 -2.173 12.280 1.00 0.25 H new ATOM 0 HZ PHE A 57 1.645 -0.351 10.659 1.00 0.27 H new ATOM 350 N TYR A 58 4.359 -6.674 11.289 1.00 0.19 N ATOM 351 CA TYR A 58 4.860 -6.616 12.653 1.00 0.22 C ATOM 352 C TYR A 58 6.312 -7.072 12.746 1.00 0.26 C ATOM 353 O TYR A 58 6.949 -6.922 13.787 1.00 0.39 O ATOM 354 CB TYR A 58 3.967 -7.434 13.588 1.00 0.26 C ATOM 355 CG TYR A 58 2.675 -6.726 13.953 1.00 0.40 C ATOM 356 CD1 TYR A 58 1.716 -6.428 12.989 1.00 1.04 C ATOM 357 CD2 TYR A 58 2.414 -6.353 15.268 1.00 1.07 C ATOM 358 CE1 TYR A 58 0.541 -5.777 13.326 1.00 1.17 C ATOM 359 CE2 TYR A 58 1.243 -5.705 15.609 1.00 1.17 C ATOM 360 CZ TYR A 58 0.312 -5.421 14.636 1.00 0.83 C ATOM 361 OH TYR A 58 -0.857 -4.779 14.976 1.00 1.05 O ATOM 0 H TYR A 58 3.796 -7.498 11.080 1.00 0.19 H new ATOM 0 HA TYR A 58 4.831 -5.574 12.970 1.00 0.22 H new ATOM 0 HB2 TYR A 58 3.730 -8.386 13.113 1.00 0.26 H new ATOM 0 HB3 TYR A 58 4.519 -7.662 14.500 1.00 0.26 H new ATOM 0 HD1 TYR A 58 1.891 -6.709 11.961 1.00 1.04 H new ATOM 0 HD2 TYR A 58 3.140 -6.574 16.036 1.00 1.07 H new ATOM 0 HE1 TYR A 58 -0.191 -5.550 12.565 1.00 1.17 H new ATOM 0 HE2 TYR A 58 1.059 -5.422 16.635 1.00 1.17 H new ATOM 0 HH TYR A 58 -0.863 -4.599 15.939 1.00 1.05 H new ATOM 371 N THR A 59 6.852 -7.596 11.658 1.00 0.25 N ATOM 372 CA THR A 59 8.247 -7.997 11.642 1.00 0.29 C ATOM 373 C THR A 59 9.130 -6.860 11.128 1.00 0.29 C ATOM 374 O THR A 59 10.358 -6.964 11.126 1.00 0.36 O ATOM 375 CB THR A 59 8.457 -9.263 10.792 1.00 0.35 C ATOM 376 OG1 THR A 59 7.766 -9.139 9.550 1.00 0.44 O ATOM 377 CG2 THR A 59 7.958 -10.500 11.514 1.00 0.38 C ATOM 0 H THR A 59 6.351 -7.752 10.783 1.00 0.25 H new ATOM 0 HA THR A 59 8.536 -8.228 12.667 1.00 0.29 H new ATOM 0 HB THR A 59 9.527 -9.369 10.614 1.00 0.35 H new ATOM 0 HG1 THR A 59 6.853 -9.482 9.648 1.00 0.44 H new ATOM 0 HG21 THR A 59 8.120 -11.377 10.888 1.00 0.38 H new ATOM 0 HG22 THR A 59 8.501 -10.618 12.452 1.00 0.38 H new ATOM 0 HG23 THR A 59 6.893 -10.395 11.722 1.00 0.38 H new ATOM 385 N LEU A 60 8.498 -5.766 10.708 1.00 0.26 N ATOM 386 CA LEU A 60 9.229 -4.595 10.234 1.00 0.27 C ATOM 387 C LEU A 60 9.146 -3.447 11.237 1.00 0.30 C ATOM 388 O LEU A 60 9.495 -2.313 10.917 1.00 0.38 O ATOM 389 CB LEU A 60 8.697 -4.138 8.873 1.00 0.29 C ATOM 390 CG LEU A 60 8.916 -5.123 7.721 1.00 0.31 C ATOM 391 CD1 LEU A 60 8.401 -4.539 6.417 1.00 1.37 C ATOM 392 CD2 LEU A 60 10.388 -5.483 7.595 1.00 1.22 C ATOM 0 H LEU A 60 7.483 -5.667 10.687 1.00 0.26 H new ATOM 0 HA LEU A 60 10.275 -4.882 10.126 1.00 0.27 H new ATOM 0 HB2 LEU A 60 7.628 -3.944 8.965 1.00 0.29 H new ATOM 0 HB3 LEU A 60 9.172 -3.191 8.615 1.00 0.29 H new ATOM 0 HG LEU A 60 8.357 -6.033 7.939 1.00 0.31 H new ATOM 0 HD11 LEU A 60 8.565 -5.252 5.609 1.00 1.37 H new ATOM 0 HD12 LEU A 60 7.335 -4.331 6.507 1.00 1.37 H new ATOM 0 HD13 LEU A 60 8.933 -3.614 6.197 1.00 1.37 H new ATOM 0 HD21 LEU A 60 10.522 -6.184 6.771 1.00 1.22 H new ATOM 0 HD22 LEU A 60 10.968 -4.581 7.402 1.00 1.22 H new ATOM 0 HD23 LEU A 60 10.731 -5.943 8.522 1.00 1.22 H new ATOM 404 N SER A 61 8.689 -3.762 12.452 1.00 0.27 N ATOM 405 CA SER A 61 8.634 -2.796 13.558 1.00 0.30 C ATOM 406 C SER A 61 7.593 -1.699 13.316 1.00 0.28 C ATOM 407 O SER A 61 7.902 -0.644 12.759 1.00 0.36 O ATOM 408 CB SER A 61 10.015 -2.174 13.797 1.00 0.41 C ATOM 409 OG SER A 61 11.004 -3.183 13.942 1.00 1.24 O ATOM 0 H SER A 61 8.347 -4.691 12.699 1.00 0.27 H new ATOM 0 HA SER A 61 8.329 -3.344 14.449 1.00 0.30 H new ATOM 0 HB2 SER A 61 10.274 -1.521 12.963 1.00 0.41 H new ATOM 0 HB3 SER A 61 9.989 -1.553 14.692 1.00 0.41 H new ATOM 0 HG SER A 61 11.878 -2.765 14.092 1.00 1.24 H new ATOM 415 N PRO A 62 6.336 -1.947 13.712 1.00 0.24 N ATOM 416 CA PRO A 62 5.256 -0.974 13.576 1.00 0.29 C ATOM 417 C PRO A 62 5.264 0.071 14.687 1.00 0.32 C ATOM 418 O PRO A 62 5.494 -0.243 15.855 1.00 0.47 O ATOM 419 CB PRO A 62 3.979 -1.824 13.675 1.00 0.35 C ATOM 420 CG PRO A 62 4.437 -3.243 13.774 1.00 0.33 C ATOM 421 CD PRO A 62 5.844 -3.194 14.299 1.00 0.23 C ATOM 0 HA PRO A 62 5.346 -0.413 12.646 1.00 0.29 H new ATOM 0 HB2 PRO A 62 3.389 -1.542 14.547 1.00 0.35 H new ATOM 0 HB3 PRO A 62 3.344 -1.679 12.801 1.00 0.35 H new ATOM 0 HG2 PRO A 62 3.792 -3.814 14.442 1.00 0.33 H new ATOM 0 HG3 PRO A 62 4.402 -3.732 12.801 1.00 0.33 H new ATOM 0 HD2 PRO A 62 5.874 -3.173 15.388 1.00 0.23 H new ATOM 0 HD3 PRO A 62 6.430 -4.056 13.980 1.00 0.23 H new ATOM 429 N VAL A 63 5.012 1.313 14.311 1.00 0.29 N ATOM 430 CA VAL A 63 4.884 2.397 15.267 1.00 0.36 C ATOM 431 C VAL A 63 3.578 3.155 15.034 1.00 0.37 C ATOM 432 O VAL A 63 3.350 3.709 13.958 1.00 0.38 O ATOM 433 CB VAL A 63 6.086 3.374 15.208 1.00 0.47 C ATOM 434 CG1 VAL A 63 7.330 2.727 15.803 1.00 1.02 C ATOM 435 CG2 VAL A 63 6.365 3.828 13.778 1.00 1.02 C ATOM 0 H VAL A 63 4.891 1.597 13.339 1.00 0.29 H new ATOM 0 HA VAL A 63 4.874 1.953 16.262 1.00 0.36 H new ATOM 0 HB VAL A 63 5.826 4.253 15.798 1.00 0.47 H new ATOM 0 HG11 VAL A 63 8.164 3.427 15.753 1.00 1.02 H new ATOM 0 HG12 VAL A 63 7.140 2.462 16.843 1.00 1.02 H new ATOM 0 HG13 VAL A 63 7.577 1.828 15.239 1.00 1.02 H new ATOM 0 HG21 VAL A 63 7.214 4.512 13.772 1.00 1.02 H new ATOM 0 HG22 VAL A 63 6.594 2.961 13.159 1.00 1.02 H new ATOM 0 HG23 VAL A 63 5.487 4.336 13.380 1.00 1.02 H new ATOM 445 N ASN A 64 2.710 3.133 16.043 1.00 0.44 N ATOM 446 CA ASN A 64 1.419 3.831 16.003 1.00 0.52 C ATOM 447 C ASN A 64 0.485 3.218 14.956 1.00 0.44 C ATOM 448 O ASN A 64 -0.430 3.879 14.464 1.00 0.50 O ATOM 449 CB ASN A 64 1.608 5.336 15.740 1.00 0.64 C ATOM 450 CG ASN A 64 2.396 6.029 16.838 1.00 0.84 C ATOM 451 OD1 ASN A 64 1.836 6.463 17.846 1.00 1.34 O ATOM 452 ND2 ASN A 64 3.700 6.155 16.644 1.00 1.31 N ATOM 0 H ASN A 64 2.879 2.631 16.915 1.00 0.44 H new ATOM 0 HA ASN A 64 0.955 3.711 16.982 1.00 0.52 H new ATOM 0 HB2 ASN A 64 2.122 5.473 14.788 1.00 0.64 H new ATOM 0 HB3 ASN A 64 0.631 5.810 15.646 1.00 0.64 H new ATOM 0 HD21 ASN A 64 4.276 6.625 17.342 1.00 1.31 H new ATOM 0 HD22 ASN A 64 4.128 5.782 15.796 1.00 1.31 H new ATOM 459 N GLY A 65 0.715 1.948 14.631 1.00 0.40 N ATOM 460 CA GLY A 65 -0.153 1.243 13.697 1.00 0.43 C ATOM 461 C GLY A 65 0.342 1.317 12.264 1.00 0.33 C ATOM 462 O GLY A 65 -0.346 0.897 11.336 1.00 0.35 O ATOM 0 H GLY A 65 1.488 1.392 14.997 1.00 0.40 H new ATOM 0 HA2 GLY A 65 -0.229 0.198 13.997 1.00 0.43 H new ATOM 0 HA3 GLY A 65 -1.157 1.664 13.752 1.00 0.43 H new ATOM 466 N LYS A 66 1.545 1.847 12.088 1.00 0.28 N ATOM 467 CA LYS A 66 2.128 2.040 10.764 1.00 0.26 C ATOM 468 C LYS A 66 3.626 1.778 10.801 1.00 0.23 C ATOM 469 O LYS A 66 4.260 1.919 11.843 1.00 0.27 O ATOM 470 CB LYS A 66 1.884 3.467 10.262 1.00 0.34 C ATOM 471 CG LYS A 66 0.417 3.827 10.124 1.00 0.64 C ATOM 472 CD LYS A 66 0.226 5.133 9.376 1.00 0.75 C ATOM 473 CE LYS A 66 0.793 6.319 10.132 1.00 1.05 C ATOM 474 NZ LYS A 66 0.520 7.588 9.416 1.00 1.48 N ATOM 0 H LYS A 66 2.143 2.155 12.855 1.00 0.28 H new ATOM 0 HA LYS A 66 1.649 1.335 10.085 1.00 0.26 H new ATOM 0 HB2 LYS A 66 2.357 4.169 10.948 1.00 0.34 H new ATOM 0 HB3 LYS A 66 2.371 3.590 9.294 1.00 0.34 H new ATOM 0 HG2 LYS A 66 -0.106 3.027 9.599 1.00 0.64 H new ATOM 0 HG3 LYS A 66 -0.033 3.906 11.114 1.00 0.64 H new ATOM 0 HD2 LYS A 66 0.707 5.064 8.400 1.00 0.75 H new ATOM 0 HD3 LYS A 66 -0.837 5.294 9.197 1.00 0.75 H new ATOM 0 HE2 LYS A 66 0.357 6.360 11.130 1.00 1.05 H new ATOM 0 HE3 LYS A 66 1.868 6.193 10.259 1.00 1.05 H new ATOM 0 HZ1 LYS A 66 0.717 8.391 10.046 1.00 1.48 H new ATOM 0 HZ2 LYS A 66 1.129 7.650 8.575 1.00 1.48 H new ATOM 0 HZ3 LYS A 66 -0.478 7.614 9.123 1.00 1.48 H new ATOM 488 N ILE A 67 4.187 1.395 9.671 1.00 0.25 N ATOM 489 CA ILE A 67 5.630 1.224 9.572 1.00 0.27 C ATOM 490 C ILE A 67 6.222 2.305 8.683 1.00 0.26 C ATOM 491 O ILE A 67 5.534 2.852 7.819 1.00 0.29 O ATOM 492 CB ILE A 67 6.038 -0.159 9.022 1.00 0.30 C ATOM 493 CG1 ILE A 67 5.451 -0.378 7.625 1.00 0.28 C ATOM 494 CG2 ILE A 67 5.606 -1.259 9.982 1.00 0.33 C ATOM 495 CD1 ILE A 67 5.907 -1.665 6.981 1.00 0.64 C ATOM 0 H ILE A 67 3.674 1.197 8.812 1.00 0.25 H new ATOM 0 HA ILE A 67 6.021 1.302 10.586 1.00 0.27 H new ATOM 0 HB ILE A 67 7.124 -0.195 8.935 1.00 0.30 H new ATOM 0 HG12 ILE A 67 4.363 -0.379 7.692 1.00 0.28 H new ATOM 0 HG13 ILE A 67 5.731 0.459 6.986 1.00 0.28 H new ATOM 0 HG21 ILE A 67 5.901 -2.229 9.581 1.00 0.33 H new ATOM 0 HG22 ILE A 67 6.084 -1.106 10.949 1.00 0.33 H new ATOM 0 HG23 ILE A 67 4.523 -1.231 10.104 1.00 0.33 H new ATOM 0 HD11 ILE A 67 5.454 -1.758 5.994 1.00 0.64 H new ATOM 0 HD12 ILE A 67 6.993 -1.658 6.883 1.00 0.64 H new ATOM 0 HD13 ILE A 67 5.604 -2.509 7.600 1.00 0.64 H new ATOM 507 N THR A 68 7.489 2.620 8.907 1.00 0.32 N ATOM 508 CA THR A 68 8.174 3.631 8.120 1.00 0.36 C ATOM 509 C THR A 68 8.474 3.124 6.715 1.00 0.33 C ATOM 510 O THR A 68 8.632 1.918 6.500 1.00 0.33 O ATOM 511 CB THR A 68 9.485 4.063 8.805 1.00 0.45 C ATOM 512 OG1 THR A 68 10.227 2.905 9.210 1.00 0.55 O ATOM 513 CG2 THR A 68 9.205 4.936 10.020 1.00 0.50 C ATOM 0 H THR A 68 8.064 2.188 9.630 1.00 0.32 H new ATOM 0 HA THR A 68 7.511 4.493 8.046 1.00 0.36 H new ATOM 0 HB THR A 68 10.067 4.642 8.089 1.00 0.45 H new ATOM 0 HG1 THR A 68 11.060 3.185 9.643 1.00 0.55 H new ATOM 0 HG21 THR A 68 10.147 5.227 10.484 1.00 0.50 H new ATOM 0 HG22 THR A 68 8.663 5.829 9.709 1.00 0.50 H new ATOM 0 HG23 THR A 68 8.604 4.378 10.738 1.00 0.50 H new ATOM 521 N GLY A 69 8.559 4.046 5.761 1.00 0.37 N ATOM 522 CA GLY A 69 8.828 3.677 4.387 1.00 0.41 C ATOM 523 C GLY A 69 10.171 2.995 4.210 1.00 0.35 C ATOM 524 O GLY A 69 10.418 2.369 3.186 1.00 0.37 O ATOM 0 H GLY A 69 8.445 5.047 5.919 1.00 0.37 H new ATOM 0 HA2 GLY A 69 8.040 3.012 4.034 1.00 0.41 H new ATOM 0 HA3 GLY A 69 8.795 4.570 3.763 1.00 0.41 H new ATOM 528 N ALA A 70 11.034 3.118 5.213 1.00 0.33 N ATOM 529 CA ALA A 70 12.339 2.472 5.196 1.00 0.33 C ATOM 530 C ALA A 70 12.203 0.955 5.099 1.00 0.31 C ATOM 531 O ALA A 70 12.805 0.315 4.234 1.00 0.34 O ATOM 532 CB ALA A 70 13.122 2.858 6.440 1.00 0.38 C ATOM 0 H ALA A 70 10.849 3.664 6.054 1.00 0.33 H new ATOM 0 HA ALA A 70 12.880 2.813 4.313 1.00 0.33 H new ATOM 0 HB1 ALA A 70 14.097 2.372 6.422 1.00 0.38 H new ATOM 0 HB2 ALA A 70 13.256 3.939 6.464 1.00 0.38 H new ATOM 0 HB3 ALA A 70 12.575 2.540 7.328 1.00 0.38 H new ATOM 538 N ASN A 71 11.380 0.393 5.970 1.00 0.33 N ATOM 539 CA ASN A 71 11.226 -1.052 6.048 1.00 0.36 C ATOM 540 C ASN A 71 10.400 -1.559 4.881 1.00 0.32 C ATOM 541 O ASN A 71 10.643 -2.651 4.360 1.00 0.32 O ATOM 542 CB ASN A 71 10.587 -1.447 7.377 1.00 0.46 C ATOM 543 CG ASN A 71 11.483 -1.111 8.553 1.00 0.76 C ATOM 544 OD1 ASN A 71 12.298 -1.927 8.978 1.00 1.81 O ATOM 545 ND2 ASN A 71 11.348 0.097 9.085 1.00 0.61 N ATOM 0 H ASN A 71 10.808 0.915 6.633 1.00 0.33 H new ATOM 0 HA ASN A 71 12.213 -1.512 5.993 1.00 0.36 H new ATOM 0 HB2 ASN A 71 9.632 -0.933 7.489 1.00 0.46 H new ATOM 0 HB3 ASN A 71 10.375 -2.516 7.375 1.00 0.46 H new ATOM 0 HD21 ASN A 71 11.932 0.375 9.874 1.00 0.61 H new ATOM 0 HD22 ASN A 71 10.660 0.748 8.705 1.00 0.61 H new ATOM 552 N ALA A 72 9.436 -0.751 4.458 1.00 0.32 N ATOM 553 CA ALA A 72 8.663 -1.061 3.272 1.00 0.33 C ATOM 554 C ALA A 72 9.587 -1.122 2.064 1.00 0.30 C ATOM 555 O ALA A 72 9.521 -2.054 1.272 1.00 0.32 O ATOM 556 CB ALA A 72 7.570 -0.031 3.060 1.00 0.39 C ATOM 0 H ALA A 72 9.175 0.120 4.920 1.00 0.32 H new ATOM 0 HA ALA A 72 8.185 -2.032 3.403 1.00 0.33 H new ATOM 0 HB1 ALA A 72 7.002 -0.283 2.164 1.00 0.39 H new ATOM 0 HB2 ALA A 72 6.904 -0.025 3.923 1.00 0.39 H new ATOM 0 HB3 ALA A 72 8.018 0.955 2.940 1.00 0.39 H new ATOM 562 N LYS A 73 10.473 -0.135 1.963 1.00 0.29 N ATOM 563 CA LYS A 73 11.468 -0.080 0.894 1.00 0.30 C ATOM 564 C LYS A 73 12.304 -1.354 0.881 1.00 0.26 C ATOM 565 O LYS A 73 12.643 -1.873 -0.179 1.00 0.27 O ATOM 566 CB LYS A 73 12.376 1.140 1.082 1.00 0.36 C ATOM 567 CG LYS A 73 13.323 1.403 -0.080 1.00 0.47 C ATOM 568 CD LYS A 73 14.237 2.585 0.207 1.00 0.67 C ATOM 569 CE LYS A 73 15.070 2.971 -1.009 1.00 0.84 C ATOM 570 NZ LYS A 73 14.222 3.443 -2.138 1.00 0.76 N ATOM 0 H LYS A 73 10.522 0.647 2.617 1.00 0.29 H new ATOM 0 HA LYS A 73 10.949 0.007 -0.060 1.00 0.30 H new ATOM 0 HB2 LYS A 73 11.753 2.021 1.234 1.00 0.36 H new ATOM 0 HB3 LYS A 73 12.963 1.004 1.990 1.00 0.36 H new ATOM 0 HG2 LYS A 73 13.924 0.514 -0.270 1.00 0.47 H new ATOM 0 HG3 LYS A 73 12.747 1.598 -0.984 1.00 0.47 H new ATOM 0 HD2 LYS A 73 13.637 3.439 0.521 1.00 0.67 H new ATOM 0 HD3 LYS A 73 14.899 2.338 1.037 1.00 0.67 H new ATOM 0 HE2 LYS A 73 15.774 3.755 -0.732 1.00 0.84 H new ATOM 0 HE3 LYS A 73 15.659 2.113 -1.332 1.00 0.84 H new ATOM 0 HZ1 LYS A 73 14.829 3.822 -2.893 1.00 0.76 H new ATOM 0 HZ2 LYS A 73 13.664 2.648 -2.509 1.00 0.76 H new ATOM 0 HZ3 LYS A 73 13.581 4.189 -1.802 1.00 0.76 H new ATOM 584 N LYS A 74 12.618 -1.854 2.068 1.00 0.26 N ATOM 585 CA LYS A 74 13.389 -3.084 2.204 1.00 0.29 C ATOM 586 C LYS A 74 12.610 -4.291 1.666 1.00 0.29 C ATOM 587 O LYS A 74 13.199 -5.219 1.116 1.00 0.35 O ATOM 588 CB LYS A 74 13.783 -3.293 3.668 1.00 0.34 C ATOM 589 CG LYS A 74 14.776 -2.256 4.177 1.00 1.03 C ATOM 590 CD LYS A 74 14.875 -2.258 5.696 1.00 1.05 C ATOM 591 CE LYS A 74 15.288 -3.613 6.245 1.00 1.63 C ATOM 592 NZ LYS A 74 16.696 -3.957 5.908 1.00 1.95 N ATOM 0 H LYS A 74 12.350 -1.426 2.954 1.00 0.26 H new ATOM 0 HA LYS A 74 14.296 -2.991 1.607 1.00 0.29 H new ATOM 0 HB2 LYS A 74 12.886 -3.262 4.287 1.00 0.34 H new ATOM 0 HB3 LYS A 74 14.215 -4.287 3.783 1.00 0.34 H new ATOM 0 HG2 LYS A 74 15.759 -2.455 3.749 1.00 1.03 H new ATOM 0 HG3 LYS A 74 14.474 -1.266 3.835 1.00 1.03 H new ATOM 0 HD2 LYS A 74 15.597 -1.505 6.012 1.00 1.05 H new ATOM 0 HD3 LYS A 74 13.912 -1.974 6.121 1.00 1.05 H new ATOM 0 HE2 LYS A 74 15.166 -3.616 7.328 1.00 1.63 H new ATOM 0 HE3 LYS A 74 14.624 -4.381 5.847 1.00 1.63 H new ATOM 0 HZ1 LYS A 74 16.930 -4.890 6.304 1.00 1.95 H new ATOM 0 HZ2 LYS A 74 16.810 -3.982 4.875 1.00 1.95 H new ATOM 0 HZ3 LYS A 74 17.334 -3.240 6.309 1.00 1.95 H new ATOM 606 N GLU A 75 11.287 -4.267 1.801 1.00 0.31 N ATOM 607 CA GLU A 75 10.452 -5.347 1.276 1.00 0.35 C ATOM 608 C GLU A 75 10.319 -5.216 -0.242 1.00 0.32 C ATOM 609 O GLU A 75 10.358 -6.205 -0.972 1.00 0.35 O ATOM 610 CB GLU A 75 9.072 -5.346 1.955 1.00 0.41 C ATOM 611 CG GLU A 75 8.082 -6.346 1.367 1.00 0.59 C ATOM 612 CD GLU A 75 8.635 -7.760 1.287 1.00 0.93 C ATOM 613 OE1 GLU A 75 9.163 -8.269 2.300 1.00 1.09 O ATOM 614 OE2 GLU A 75 8.529 -8.376 0.205 1.00 1.60 O ATOM 0 H GLU A 75 10.772 -3.519 2.265 1.00 0.31 H new ATOM 0 HA GLU A 75 10.930 -6.301 1.498 1.00 0.35 H new ATOM 0 HB2 GLU A 75 9.202 -5.562 3.015 1.00 0.41 H new ATOM 0 HB3 GLU A 75 8.646 -4.345 1.883 1.00 0.41 H new ATOM 0 HG2 GLU A 75 7.177 -6.351 1.974 1.00 0.59 H new ATOM 0 HG3 GLU A 75 7.794 -6.018 0.368 1.00 0.59 H new ATOM 621 N MET A 76 10.184 -3.987 -0.717 1.00 0.29 N ATOM 622 CA MET A 76 10.127 -3.730 -2.145 1.00 0.30 C ATOM 623 C MET A 76 11.405 -4.187 -2.847 1.00 0.30 C ATOM 624 O MET A 76 11.362 -4.681 -3.973 1.00 0.38 O ATOM 625 CB MET A 76 9.880 -2.249 -2.419 1.00 0.39 C ATOM 626 CG MET A 76 8.409 -1.889 -2.494 1.00 0.56 C ATOM 627 SD MET A 76 7.646 -1.603 -0.891 1.00 1.04 S ATOM 628 CE MET A 76 6.056 -0.983 -1.422 1.00 1.24 C ATOM 0 H MET A 76 10.112 -3.153 -0.134 1.00 0.29 H new ATOM 0 HA MET A 76 9.294 -4.307 -2.547 1.00 0.30 H new ATOM 0 HB2 MET A 76 10.352 -1.658 -1.634 1.00 0.39 H new ATOM 0 HB3 MET A 76 10.362 -1.975 -3.357 1.00 0.39 H new ATOM 0 HG2 MET A 76 8.295 -0.993 -3.105 1.00 0.56 H new ATOM 0 HG3 MET A 76 7.874 -2.691 -3.002 1.00 0.56 H new ATOM 0 HE1 MET A 76 5.500 -0.619 -0.558 1.00 1.24 H new ATOM 0 HE2 MET A 76 6.202 -0.167 -2.130 1.00 1.24 H new ATOM 0 HE3 MET A 76 5.495 -1.784 -1.903 1.00 1.24 H new ATOM 638 N VAL A 77 12.545 -4.027 -2.190 1.00 0.29 N ATOM 639 CA VAL A 77 13.797 -4.483 -2.759 1.00 0.35 C ATOM 640 C VAL A 77 14.000 -5.985 -2.509 1.00 0.33 C ATOM 641 O VAL A 77 14.867 -6.615 -3.117 1.00 0.37 O ATOM 642 CB VAL A 77 14.999 -3.669 -2.233 1.00 0.51 C ATOM 643 CG1 VAL A 77 14.792 -2.182 -2.481 1.00 1.57 C ATOM 644 CG2 VAL A 77 15.264 -3.939 -0.760 1.00 1.14 C ATOM 0 H VAL A 77 12.625 -3.589 -1.272 1.00 0.29 H new ATOM 0 HA VAL A 77 13.741 -4.320 -3.835 1.00 0.35 H new ATOM 0 HB VAL A 77 15.880 -3.993 -2.786 1.00 0.51 H new ATOM 0 HG11 VAL A 77 15.651 -1.627 -2.103 1.00 1.57 H new ATOM 0 HG12 VAL A 77 14.687 -2.003 -3.551 1.00 1.57 H new ATOM 0 HG13 VAL A 77 13.890 -1.850 -1.967 1.00 1.57 H new ATOM 0 HG21 VAL A 77 16.117 -3.347 -0.429 1.00 1.14 H new ATOM 0 HG22 VAL A 77 14.385 -3.666 -0.176 1.00 1.14 H new ATOM 0 HG23 VAL A 77 15.480 -4.998 -0.617 1.00 1.14 H new ATOM 654 N LYS A 78 13.199 -6.554 -1.606 1.00 0.36 N ATOM 655 CA LYS A 78 13.165 -8.001 -1.412 1.00 0.45 C ATOM 656 C LYS A 78 12.430 -8.689 -2.556 1.00 0.42 C ATOM 657 O LYS A 78 12.746 -9.825 -2.919 1.00 0.47 O ATOM 658 CB LYS A 78 12.468 -8.344 -0.093 1.00 0.61 C ATOM 659 CG LYS A 78 13.380 -8.299 1.115 1.00 0.71 C ATOM 660 CD LYS A 78 14.378 -9.437 1.080 1.00 1.25 C ATOM 661 CE LYS A 78 15.216 -9.479 2.342 1.00 1.79 C ATOM 662 NZ LYS A 78 15.930 -10.773 2.479 1.00 2.79 N ATOM 0 H LYS A 78 12.566 -6.033 -0.999 1.00 0.36 H new ATOM 0 HA LYS A 78 14.195 -8.356 -1.387 1.00 0.45 H new ATOM 0 HB2 LYS A 78 11.643 -7.649 0.061 1.00 0.61 H new ATOM 0 HB3 LYS A 78 12.035 -9.341 -0.171 1.00 0.61 H new ATOM 0 HG2 LYS A 78 13.909 -7.346 1.141 1.00 0.71 H new ATOM 0 HG3 LYS A 78 12.786 -8.359 2.027 1.00 0.71 H new ATOM 0 HD2 LYS A 78 13.849 -10.383 0.961 1.00 1.25 H new ATOM 0 HD3 LYS A 78 15.029 -9.325 0.213 1.00 1.25 H new ATOM 0 HE2 LYS A 78 15.939 -8.663 2.327 1.00 1.79 H new ATOM 0 HE3 LYS A 78 14.576 -9.322 3.210 1.00 1.79 H new ATOM 0 HZ1 LYS A 78 16.494 -10.768 3.353 1.00 2.79 H new ATOM 0 HZ2 LYS A 78 15.238 -11.549 2.518 1.00 2.79 H new ATOM 0 HZ3 LYS A 78 16.559 -10.911 1.662 1.00 2.79 H new ATOM 676 N SER A 79 11.473 -7.983 -3.145 1.00 0.40 N ATOM 677 CA SER A 79 10.683 -8.534 -4.233 1.00 0.43 C ATOM 678 C SER A 79 11.403 -8.376 -5.571 1.00 0.38 C ATOM 679 O SER A 79 11.019 -8.992 -6.566 1.00 0.44 O ATOM 680 CB SER A 79 9.306 -7.876 -4.265 1.00 0.54 C ATOM 681 OG SER A 79 9.349 -6.575 -3.701 1.00 1.27 O ATOM 0 H SER A 79 11.227 -7.028 -2.886 1.00 0.40 H new ATOM 0 HA SER A 79 10.551 -9.602 -4.060 1.00 0.43 H new ATOM 0 HB2 SER A 79 8.951 -7.818 -5.294 1.00 0.54 H new ATOM 0 HB3 SER A 79 8.593 -8.491 -3.716 1.00 0.54 H new ATOM 0 HG SER A 79 10.097 -6.075 -4.090 1.00 1.27 H new ATOM 687 N LYS A 80 12.446 -7.542 -5.571 1.00 0.39 N ATOM 688 CA LYS A 80 13.353 -7.405 -6.713 1.00 0.42 C ATOM 689 C LYS A 80 12.666 -6.756 -7.912 1.00 0.35 C ATOM 690 O LYS A 80 12.989 -7.054 -9.064 1.00 0.45 O ATOM 691 CB LYS A 80 13.924 -8.774 -7.095 1.00 0.54 C ATOM 692 CG LYS A 80 14.649 -9.458 -5.948 1.00 0.85 C ATOM 693 CD LYS A 80 15.104 -10.858 -6.316 1.00 1.32 C ATOM 694 CE LYS A 80 15.690 -11.578 -5.110 1.00 2.10 C ATOM 695 NZ LYS A 80 14.707 -11.704 -4.004 1.00 2.97 N ATOM 0 H LYS A 80 12.685 -6.944 -4.780 1.00 0.39 H new ATOM 0 HA LYS A 80 14.169 -6.747 -6.414 1.00 0.42 H new ATOM 0 HB2 LYS A 80 13.113 -9.416 -7.439 1.00 0.54 H new ATOM 0 HB3 LYS A 80 14.612 -8.654 -7.932 1.00 0.54 H new ATOM 0 HG2 LYS A 80 15.513 -8.861 -5.658 1.00 0.85 H new ATOM 0 HG3 LYS A 80 13.990 -9.507 -5.081 1.00 0.85 H new ATOM 0 HD2 LYS A 80 14.261 -11.426 -6.709 1.00 1.32 H new ATOM 0 HD3 LYS A 80 15.850 -10.805 -7.109 1.00 1.32 H new ATOM 0 HE2 LYS A 80 16.028 -12.570 -5.409 1.00 2.10 H new ATOM 0 HE3 LYS A 80 16.567 -11.036 -4.755 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 15.077 -12.355 -3.283 1.00 2.97 H new ATOM 0 HZ2 LYS A 80 14.544 -10.770 -3.576 1.00 2.97 H new ATOM 0 HZ3 LYS A 80 13.810 -12.075 -4.377 1.00 2.97 H new ATOM 709 N LEU A 81 11.736 -5.852 -7.638 1.00 0.31 N ATOM 710 CA LEU A 81 11.076 -5.097 -8.694 1.00 0.30 C ATOM 711 C LEU A 81 11.907 -3.859 -9.039 1.00 0.30 C ATOM 712 O LEU A 81 12.634 -3.345 -8.188 1.00 0.41 O ATOM 713 CB LEU A 81 9.665 -4.688 -8.260 1.00 0.37 C ATOM 714 CG LEU A 81 8.698 -5.846 -7.996 1.00 0.42 C ATOM 715 CD1 LEU A 81 7.352 -5.313 -7.522 1.00 0.52 C ATOM 716 CD2 LEU A 81 8.533 -6.698 -9.251 1.00 0.47 C ATOM 0 H LEU A 81 11.422 -5.624 -6.695 1.00 0.31 H new ATOM 0 HA LEU A 81 10.991 -5.727 -9.579 1.00 0.30 H new ATOM 0 HB2 LEU A 81 9.742 -4.087 -7.354 1.00 0.37 H new ATOM 0 HB3 LEU A 81 9.237 -4.048 -9.032 1.00 0.37 H new ATOM 0 HG LEU A 81 9.113 -6.476 -7.209 1.00 0.42 H new ATOM 0 HD11 LEU A 81 6.675 -6.147 -7.338 1.00 0.52 H new ATOM 0 HD12 LEU A 81 7.489 -4.747 -6.601 1.00 0.52 H new ATOM 0 HD13 LEU A 81 6.928 -4.663 -8.288 1.00 0.52 H new ATOM 0 HD21 LEU A 81 7.843 -7.517 -9.047 1.00 0.47 H new ATOM 0 HD22 LEU A 81 8.137 -6.083 -10.059 1.00 0.47 H new ATOM 0 HD23 LEU A 81 9.501 -7.104 -9.545 1.00 0.47 H new ATOM 728 N PRO A 82 11.823 -3.374 -10.296 1.00 0.28 N ATOM 729 CA PRO A 82 12.562 -2.182 -10.744 1.00 0.34 C ATOM 730 C PRO A 82 12.303 -0.961 -9.859 1.00 0.33 C ATOM 731 O PRO A 82 11.179 -0.743 -9.401 1.00 0.27 O ATOM 732 CB PRO A 82 12.025 -1.939 -12.158 1.00 0.43 C ATOM 733 CG PRO A 82 11.538 -3.270 -12.611 1.00 0.44 C ATOM 734 CD PRO A 82 11.013 -3.959 -11.383 1.00 0.37 C ATOM 0 HA PRO A 82 13.640 -2.337 -10.701 1.00 0.34 H new ATOM 0 HB2 PRO A 82 11.221 -1.203 -12.155 1.00 0.43 H new ATOM 0 HB3 PRO A 82 12.804 -1.557 -12.817 1.00 0.43 H new ATOM 0 HG2 PRO A 82 10.756 -3.164 -13.363 1.00 0.44 H new ATOM 0 HG3 PRO A 82 12.343 -3.846 -13.067 1.00 0.44 H new ATOM 0 HD2 PRO A 82 9.949 -3.770 -11.239 1.00 0.37 H new ATOM 0 HD3 PRO A 82 11.140 -5.040 -11.443 1.00 0.37 H new ATOM 742 N ASN A 83 13.353 -0.167 -9.651 1.00 0.44 N ATOM 743 CA ASN A 83 13.310 0.993 -8.755 1.00 0.49 C ATOM 744 C ASN A 83 12.145 1.926 -9.077 1.00 0.42 C ATOM 745 O ASN A 83 11.401 2.327 -8.181 1.00 0.41 O ATOM 746 CB ASN A 83 14.623 1.780 -8.833 1.00 0.64 C ATOM 747 CG ASN A 83 15.839 0.939 -8.489 1.00 1.05 C ATOM 748 OD1 ASN A 83 16.204 0.800 -7.321 1.00 1.85 O ATOM 749 ND2 ASN A 83 16.491 0.393 -9.506 1.00 1.79 N ATOM 0 H ASN A 83 14.259 -0.308 -10.098 1.00 0.44 H new ATOM 0 HA ASN A 83 13.168 0.607 -7.745 1.00 0.49 H new ATOM 0 HB2 ASN A 83 14.740 2.183 -9.839 1.00 0.64 H new ATOM 0 HB3 ASN A 83 14.572 2.630 -8.153 1.00 0.64 H new ATOM 0 HD21 ASN A 83 17.327 -0.166 -9.335 1.00 1.79 H new ATOM 0 HD22 ASN A 83 16.157 0.532 -10.460 1.00 1.79 H new ATOM 756 N THR A 84 11.980 2.263 -10.353 1.00 0.43 N ATOM 757 CA THR A 84 10.913 3.169 -10.765 1.00 0.45 C ATOM 758 C THR A 84 9.545 2.558 -10.480 1.00 0.35 C ATOM 759 O THR A 84 8.647 3.228 -9.971 1.00 0.34 O ATOM 760 CB THR A 84 11.019 3.517 -12.262 1.00 0.59 C ATOM 761 OG1 THR A 84 11.082 2.314 -13.041 1.00 1.47 O ATOM 762 CG2 THR A 84 12.250 4.370 -12.535 1.00 1.27 C ATOM 0 H THR A 84 12.568 1.925 -11.115 1.00 0.43 H new ATOM 0 HA THR A 84 11.025 4.086 -10.186 1.00 0.45 H new ATOM 0 HB THR A 84 10.133 4.087 -12.544 1.00 0.59 H new ATOM 0 HG1 THR A 84 11.148 2.543 -13.992 1.00 1.47 H new ATOM 0 HG21 THR A 84 12.303 4.603 -13.599 1.00 1.27 H new ATOM 0 HG22 THR A 84 12.185 5.296 -11.964 1.00 1.27 H new ATOM 0 HG23 THR A 84 13.145 3.823 -12.238 1.00 1.27 H new ATOM 770 N VAL A 85 9.411 1.270 -10.782 1.00 0.32 N ATOM 771 CA VAL A 85 8.166 0.550 -10.549 1.00 0.32 C ATOM 772 C VAL A 85 7.800 0.577 -9.069 1.00 0.26 C ATOM 773 O VAL A 85 6.637 0.745 -8.717 1.00 0.31 O ATOM 774 CB VAL A 85 8.262 -0.912 -11.044 1.00 0.36 C ATOM 775 CG1 VAL A 85 6.983 -1.679 -10.746 1.00 0.44 C ATOM 776 CG2 VAL A 85 8.562 -0.947 -12.534 1.00 0.45 C ATOM 0 H VAL A 85 10.154 0.703 -11.190 1.00 0.32 H new ATOM 0 HA VAL A 85 7.383 1.052 -11.117 1.00 0.32 H new ATOM 0 HB VAL A 85 9.078 -1.395 -10.507 1.00 0.36 H new ATOM 0 HG11 VAL A 85 7.081 -2.703 -11.106 1.00 0.44 H new ATOM 0 HG12 VAL A 85 6.806 -1.687 -9.671 1.00 0.44 H new ATOM 0 HG13 VAL A 85 6.144 -1.197 -11.248 1.00 0.44 H new ATOM 0 HG21 VAL A 85 8.627 -1.983 -12.868 1.00 0.45 H new ATOM 0 HG22 VAL A 85 7.765 -0.440 -13.078 1.00 0.45 H new ATOM 0 HG23 VAL A 85 9.510 -0.444 -12.726 1.00 0.45 H new ATOM 786 N LEU A 86 8.805 0.444 -8.208 1.00 0.24 N ATOM 787 CA LEU A 86 8.592 0.511 -6.766 1.00 0.28 C ATOM 788 C LEU A 86 8.138 1.905 -6.358 1.00 0.24 C ATOM 789 O LEU A 86 7.408 2.069 -5.378 1.00 0.28 O ATOM 790 CB LEU A 86 9.868 0.135 -6.021 1.00 0.37 C ATOM 791 CG LEU A 86 10.353 -1.290 -6.272 1.00 0.51 C ATOM 792 CD1 LEU A 86 11.706 -1.526 -5.618 1.00 0.90 C ATOM 793 CD2 LEU A 86 9.330 -2.295 -5.771 1.00 0.82 C ATOM 0 H LEU A 86 9.775 0.289 -8.484 1.00 0.24 H new ATOM 0 HA LEU A 86 7.810 -0.201 -6.502 1.00 0.28 H new ATOM 0 HB2 LEU A 86 10.658 0.829 -6.307 1.00 0.37 H new ATOM 0 HB3 LEU A 86 9.701 0.265 -4.952 1.00 0.37 H new ATOM 0 HG LEU A 86 10.471 -1.426 -7.347 1.00 0.51 H new ATOM 0 HD11 LEU A 86 12.030 -2.549 -5.811 1.00 0.90 H new ATOM 0 HD12 LEU A 86 12.436 -0.830 -6.031 1.00 0.90 H new ATOM 0 HD13 LEU A 86 11.623 -1.369 -4.543 1.00 0.90 H new ATOM 0 HD21 LEU A 86 9.692 -3.306 -5.958 1.00 0.82 H new ATOM 0 HD22 LEU A 86 9.177 -2.156 -4.701 1.00 0.82 H new ATOM 0 HD23 LEU A 86 8.386 -2.145 -6.295 1.00 0.82 H new ATOM 805 N GLY A 87 8.567 2.903 -7.118 1.00 0.23 N ATOM 806 CA GLY A 87 8.117 4.258 -6.890 1.00 0.26 C ATOM 807 C GLY A 87 6.647 4.393 -7.167 1.00 0.27 C ATOM 808 O GLY A 87 5.914 5.050 -6.426 1.00 0.32 O ATOM 0 H GLY A 87 9.222 2.795 -7.892 1.00 0.23 H new ATOM 0 HA2 GLY A 87 8.324 4.545 -5.859 1.00 0.26 H new ATOM 0 HA3 GLY A 87 8.675 4.942 -7.529 1.00 0.26 H new ATOM 812 N LYS A 88 6.211 3.757 -8.236 1.00 0.27 N ATOM 813 CA LYS A 88 4.815 3.779 -8.600 1.00 0.36 C ATOM 814 C LYS A 88 4.000 2.868 -7.684 1.00 0.33 C ATOM 815 O LYS A 88 2.816 3.110 -7.455 1.00 0.35 O ATOM 816 CB LYS A 88 4.632 3.392 -10.060 1.00 0.50 C ATOM 817 CG LYS A 88 4.893 4.541 -11.024 1.00 0.74 C ATOM 818 CD LYS A 88 6.375 4.836 -11.167 1.00 1.03 C ATOM 819 CE LYS A 88 6.714 5.432 -12.528 1.00 1.50 C ATOM 820 NZ LYS A 88 5.982 6.702 -12.793 1.00 1.89 N ATOM 0 H LYS A 88 6.806 3.219 -8.866 1.00 0.27 H new ATOM 0 HA LYS A 88 4.446 4.797 -8.473 1.00 0.36 H new ATOM 0 HB2 LYS A 88 5.305 2.568 -10.297 1.00 0.50 H new ATOM 0 HB3 LYS A 88 3.616 3.027 -10.207 1.00 0.50 H new ATOM 0 HG2 LYS A 88 4.476 4.297 -12.001 1.00 0.74 H new ATOM 0 HG3 LYS A 88 4.378 5.434 -10.672 1.00 0.74 H new ATOM 0 HD2 LYS A 88 6.684 5.527 -10.383 1.00 1.03 H new ATOM 0 HD3 LYS A 88 6.942 3.916 -11.023 1.00 1.03 H new ATOM 0 HE2 LYS A 88 7.787 5.617 -12.583 1.00 1.50 H new ATOM 0 HE3 LYS A 88 6.474 4.709 -13.308 1.00 1.50 H new ATOM 0 HZ1 LYS A 88 6.297 7.102 -13.700 1.00 1.89 H new ATOM 0 HZ2 LYS A 88 4.960 6.512 -12.835 1.00 1.89 H new ATOM 0 HZ3 LYS A 88 6.176 7.381 -12.029 1.00 1.89 H new ATOM 834 N ILE A 89 4.646 1.825 -7.160 1.00 0.34 N ATOM 835 CA ILE A 89 4.034 0.959 -6.156 1.00 0.38 C ATOM 836 C ILE A 89 3.665 1.768 -4.916 1.00 0.30 C ATOM 837 O ILE A 89 2.545 1.684 -4.429 1.00 0.31 O ATOM 838 CB ILE A 89 4.969 -0.212 -5.748 1.00 0.49 C ATOM 839 CG1 ILE A 89 5.075 -1.247 -6.876 1.00 0.59 C ATOM 840 CG2 ILE A 89 4.473 -0.878 -4.467 1.00 0.55 C ATOM 841 CD1 ILE A 89 3.811 -2.061 -7.090 1.00 0.71 C ATOM 0 H ILE A 89 5.597 1.560 -7.417 1.00 0.34 H new ATOM 0 HA ILE A 89 3.136 0.533 -6.603 1.00 0.38 H new ATOM 0 HB ILE A 89 5.961 0.201 -5.565 1.00 0.49 H new ATOM 0 HG12 ILE A 89 5.325 -0.733 -7.804 1.00 0.59 H new ATOM 0 HG13 ILE A 89 5.899 -1.926 -6.656 1.00 0.59 H new ATOM 0 HG21 ILE A 89 5.142 -1.695 -4.199 1.00 0.55 H new ATOM 0 HG22 ILE A 89 4.454 -0.146 -3.660 1.00 0.55 H new ATOM 0 HG23 ILE A 89 3.468 -1.269 -4.626 1.00 0.55 H new ATOM 0 HD11 ILE A 89 3.968 -2.769 -7.904 1.00 0.71 H new ATOM 0 HD12 ILE A 89 3.570 -2.605 -6.177 1.00 0.71 H new ATOM 0 HD13 ILE A 89 2.987 -1.394 -7.343 1.00 0.71 H new ATOM 853 N TRP A 90 4.610 2.557 -4.412 1.00 0.27 N ATOM 854 CA TRP A 90 4.353 3.406 -3.253 1.00 0.23 C ATOM 855 C TRP A 90 3.264 4.429 -3.568 1.00 0.26 C ATOM 856 O TRP A 90 2.349 4.642 -2.775 1.00 0.29 O ATOM 857 CB TRP A 90 5.637 4.122 -2.826 1.00 0.25 C ATOM 858 CG TRP A 90 5.471 4.972 -1.599 1.00 0.24 C ATOM 859 CD1 TRP A 90 5.077 6.280 -1.553 1.00 0.29 C ATOM 860 CD2 TRP A 90 5.688 4.572 -0.240 1.00 0.23 C ATOM 861 NE1 TRP A 90 5.023 6.710 -0.253 1.00 0.30 N ATOM 862 CE2 TRP A 90 5.400 5.685 0.573 1.00 0.26 C ATOM 863 CE3 TRP A 90 6.096 3.382 0.368 1.00 0.26 C ATOM 864 CZ2 TRP A 90 5.511 5.642 1.960 1.00 0.30 C ATOM 865 CZ3 TRP A 90 6.209 3.343 1.743 1.00 0.32 C ATOM 866 CH2 TRP A 90 5.916 4.465 2.527 1.00 0.33 C ATOM 0 H TRP A 90 5.556 2.626 -4.786 1.00 0.27 H new ATOM 0 HA TRP A 90 4.010 2.774 -2.433 1.00 0.23 H new ATOM 0 HB2 TRP A 90 6.413 3.379 -2.641 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.984 4.748 -3.648 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.842 6.886 -2.415 1.00 0.29 H new ATOM 0 HE1 TRP A 90 4.746 7.644 0.051 1.00 0.30 H new ATOM 0 HE3 TRP A 90 6.319 2.509 -0.227 1.00 0.26 H new ATOM 0 HZ2 TRP A 90 5.285 6.507 2.566 1.00 0.30 H new ATOM 0 HZ3 TRP A 90 6.529 2.430 2.223 1.00 0.32 H new ATOM 0 HH2 TRP A 90 6.012 4.400 3.601 1.00 0.33 H new ATOM 877 N LYS A 91 3.380 5.053 -4.739 1.00 0.30 N ATOM 878 CA LYS A 91 2.417 6.050 -5.205 1.00 0.41 C ATOM 879 C LYS A 91 0.989 5.497 -5.205 1.00 0.41 C ATOM 880 O LYS A 91 0.021 6.235 -4.982 1.00 0.47 O ATOM 881 CB LYS A 91 2.808 6.513 -6.614 1.00 0.58 C ATOM 882 CG LYS A 91 1.760 7.368 -7.313 1.00 0.90 C ATOM 883 CD LYS A 91 2.197 7.733 -8.718 1.00 1.49 C ATOM 884 CE LYS A 91 3.094 8.965 -8.736 1.00 2.16 C ATOM 885 NZ LYS A 91 2.328 10.219 -8.502 1.00 2.70 N ATOM 0 H LYS A 91 4.145 4.882 -5.392 1.00 0.30 H new ATOM 0 HA LYS A 91 2.439 6.897 -4.519 1.00 0.41 H new ATOM 0 HB2 LYS A 91 3.737 7.079 -6.551 1.00 0.58 H new ATOM 0 HB3 LYS A 91 3.010 5.635 -7.228 1.00 0.58 H new ATOM 0 HG2 LYS A 91 0.814 6.828 -7.353 1.00 0.90 H new ATOM 0 HG3 LYS A 91 1.585 8.276 -6.737 1.00 0.90 H new ATOM 0 HD2 LYS A 91 2.728 6.891 -9.162 1.00 1.49 H new ATOM 0 HD3 LYS A 91 1.317 7.916 -9.335 1.00 1.49 H new ATOM 0 HE2 LYS A 91 3.864 8.863 -7.971 1.00 2.16 H new ATOM 0 HE3 LYS A 91 3.605 9.027 -9.697 1.00 2.16 H new ATOM 0 HZ1 LYS A 91 2.939 11.039 -8.689 1.00 2.70 H new ATOM 0 HZ2 LYS A 91 1.506 10.248 -9.138 1.00 2.70 H new ATOM 0 HZ3 LYS A 91 2.003 10.248 -7.515 1.00 2.70 H new ATOM 899 N LEU A 92 0.870 4.205 -5.458 1.00 0.40 N ATOM 900 CA LEU A 92 -0.409 3.548 -5.568 1.00 0.47 C ATOM 901 C LEU A 92 -0.848 2.928 -4.233 1.00 0.46 C ATOM 902 O LEU A 92 -2.026 2.956 -3.888 1.00 0.61 O ATOM 903 CB LEU A 92 -0.286 2.490 -6.665 1.00 0.54 C ATOM 904 CG LEU A 92 -1.317 1.379 -6.634 1.00 0.97 C ATOM 905 CD1 LEU A 92 -2.700 1.904 -6.983 1.00 1.51 C ATOM 906 CD2 LEU A 92 -0.914 0.262 -7.579 1.00 1.66 C ATOM 0 H LEU A 92 1.667 3.583 -5.593 1.00 0.40 H new ATOM 0 HA LEU A 92 -1.181 4.273 -5.826 1.00 0.47 H new ATOM 0 HB2 LEU A 92 -0.347 2.989 -7.632 1.00 0.54 H new ATOM 0 HB3 LEU A 92 0.705 2.041 -6.600 1.00 0.54 H new ATOM 0 HG LEU A 92 -1.358 0.981 -5.620 1.00 0.97 H new ATOM 0 HD11 LEU A 92 -3.418 1.085 -6.953 1.00 1.51 H new ATOM 0 HD12 LEU A 92 -2.991 2.669 -6.263 1.00 1.51 H new ATOM 0 HD13 LEU A 92 -2.684 2.335 -7.984 1.00 1.51 H new ATOM 0 HD21 LEU A 92 -1.663 -0.529 -7.547 1.00 1.66 H new ATOM 0 HD22 LEU A 92 -0.842 0.653 -8.594 1.00 1.66 H new ATOM 0 HD23 LEU A 92 0.052 -0.140 -7.275 1.00 1.66 H new ATOM 918 N ALA A 93 0.105 2.391 -3.481 1.00 0.37 N ATOM 919 CA ALA A 93 -0.206 1.670 -2.250 1.00 0.42 C ATOM 920 C ALA A 93 -0.432 2.619 -1.084 1.00 0.38 C ATOM 921 O ALA A 93 -1.344 2.424 -0.282 1.00 0.43 O ATOM 922 CB ALA A 93 0.905 0.694 -1.914 1.00 0.47 C ATOM 0 H ALA A 93 1.100 2.440 -3.701 1.00 0.37 H new ATOM 0 HA ALA A 93 -1.131 1.119 -2.419 1.00 0.42 H new ATOM 0 HB1 ALA A 93 0.658 0.164 -0.994 1.00 0.47 H new ATOM 0 HB2 ALA A 93 1.017 -0.024 -2.727 1.00 0.47 H new ATOM 0 HB3 ALA A 93 1.840 1.239 -1.780 1.00 0.47 H new ATOM 928 N ASP A 94 0.412 3.640 -0.980 1.00 0.33 N ATOM 929 CA ASP A 94 0.263 4.634 0.074 1.00 0.35 C ATOM 930 C ASP A 94 -0.854 5.591 -0.313 1.00 0.32 C ATOM 931 O ASP A 94 -0.656 6.527 -1.097 1.00 0.37 O ATOM 932 CB ASP A 94 1.586 5.379 0.322 1.00 0.37 C ATOM 933 CG ASP A 94 1.559 6.260 1.563 1.00 0.45 C ATOM 934 OD1 ASP A 94 0.620 6.138 2.387 1.00 0.46 O ATOM 935 OD2 ASP A 94 2.486 7.078 1.736 1.00 0.79 O ATOM 0 H ASP A 94 1.200 3.800 -1.608 1.00 0.33 H new ATOM 0 HA ASP A 94 0.002 4.140 1.010 1.00 0.35 H new ATOM 0 HB2 ASP A 94 2.392 4.651 0.419 1.00 0.37 H new ATOM 0 HB3 ASP A 94 1.816 5.995 -0.547 1.00 0.37 H new ATOM 940 N VAL A 95 -2.040 5.322 0.208 1.00 0.35 N ATOM 941 CA VAL A 95 -3.239 6.043 -0.189 1.00 0.42 C ATOM 942 C VAL A 95 -3.192 7.483 0.293 1.00 0.50 C ATOM 943 O VAL A 95 -3.491 8.411 -0.456 1.00 0.61 O ATOM 944 CB VAL A 95 -4.510 5.370 0.369 1.00 0.49 C ATOM 945 CG1 VAL A 95 -5.764 6.048 -0.158 1.00 0.59 C ATOM 946 CG2 VAL A 95 -4.524 3.886 0.039 1.00 0.51 C ATOM 0 H VAL A 95 -2.199 4.603 0.913 1.00 0.35 H new ATOM 0 HA VAL A 95 -3.275 6.025 -1.278 1.00 0.42 H new ATOM 0 HB VAL A 95 -4.498 5.480 1.453 1.00 0.49 H new ATOM 0 HG11 VAL A 95 -6.645 5.553 0.252 1.00 0.59 H new ATOM 0 HG12 VAL A 95 -5.764 7.096 0.142 1.00 0.59 H new ATOM 0 HG13 VAL A 95 -5.784 5.982 -1.246 1.00 0.59 H new ATOM 0 HG21 VAL A 95 -5.429 3.432 0.442 1.00 0.51 H new ATOM 0 HG22 VAL A 95 -4.503 3.754 -1.043 1.00 0.51 H new ATOM 0 HG23 VAL A 95 -3.650 3.407 0.481 1.00 0.51 H new ATOM 956 N ASP A 96 -2.801 7.665 1.539 1.00 0.49 N ATOM 957 CA ASP A 96 -2.780 8.991 2.141 1.00 0.59 C ATOM 958 C ASP A 96 -1.452 9.698 1.900 1.00 0.53 C ATOM 959 O ASP A 96 -1.368 10.922 2.019 1.00 0.67 O ATOM 960 CB ASP A 96 -3.088 8.918 3.639 1.00 0.66 C ATOM 961 CG ASP A 96 -2.238 7.913 4.408 1.00 0.64 C ATOM 962 OD1 ASP A 96 -1.390 7.209 3.805 1.00 0.56 O ATOM 963 OD2 ASP A 96 -2.440 7.802 5.630 1.00 0.96 O ATOM 0 H ASP A 96 -2.493 6.914 2.157 1.00 0.49 H new ATOM 0 HA ASP A 96 -3.560 9.579 1.657 1.00 0.59 H new ATOM 0 HB2 ASP A 96 -2.945 9.906 4.076 1.00 0.66 H new ATOM 0 HB3 ASP A 96 -4.139 8.661 3.769 1.00 0.66 H new ATOM 968 N LYS A 97 -0.434 8.917 1.542 1.00 0.40 N ATOM 969 CA LYS A 97 0.891 9.444 1.230 1.00 0.43 C ATOM 970 C LYS A 97 1.465 10.222 2.400 1.00 0.37 C ATOM 971 O LYS A 97 1.542 11.451 2.393 1.00 0.54 O ATOM 972 CB LYS A 97 0.847 10.268 -0.052 1.00 0.65 C ATOM 973 CG LYS A 97 0.446 9.413 -1.236 1.00 0.87 C ATOM 974 CD LYS A 97 0.268 10.212 -2.508 1.00 1.21 C ATOM 975 CE LYS A 97 -0.040 9.288 -3.676 1.00 2.08 C ATOM 976 NZ LYS A 97 -1.149 8.336 -3.369 1.00 2.96 N ATOM 0 H LYS A 97 -0.506 7.903 1.461 1.00 0.40 H new ATOM 0 HA LYS A 97 1.567 8.607 1.056 1.00 0.43 H new ATOM 0 HB2 LYS A 97 0.140 11.089 0.064 1.00 0.65 H new ATOM 0 HB3 LYS A 97 1.825 10.713 -0.236 1.00 0.65 H new ATOM 0 HG2 LYS A 97 1.204 8.647 -1.398 1.00 0.87 H new ATOM 0 HG3 LYS A 97 -0.485 8.896 -1.005 1.00 0.87 H new ATOM 0 HD2 LYS A 97 -0.541 10.932 -2.383 1.00 1.21 H new ATOM 0 HD3 LYS A 97 1.173 10.782 -2.716 1.00 1.21 H new ATOM 0 HE2 LYS A 97 -0.308 9.885 -4.548 1.00 2.08 H new ATOM 0 HE3 LYS A 97 0.856 8.726 -3.938 1.00 2.08 H new ATOM 0 HZ1 LYS A 97 -1.380 7.785 -4.221 1.00 2.96 H new ATOM 0 HZ2 LYS A 97 -0.852 7.691 -2.609 1.00 2.96 H new ATOM 0 HZ3 LYS A 97 -1.989 8.868 -3.063 1.00 2.96 H new ATOM 990 N ASP A 98 1.859 9.475 3.417 1.00 0.36 N ATOM 991 CA ASP A 98 2.296 10.056 4.673 1.00 0.37 C ATOM 992 C ASP A 98 3.711 9.603 5.018 1.00 0.36 C ATOM 993 O ASP A 98 4.213 9.877 6.110 1.00 0.41 O ATOM 994 CB ASP A 98 1.327 9.636 5.784 1.00 0.42 C ATOM 995 CG ASP A 98 1.295 8.128 5.989 1.00 0.35 C ATOM 996 OD1 ASP A 98 0.892 7.390 5.050 1.00 0.37 O ATOM 997 OD2 ASP A 98 1.664 7.670 7.084 1.00 0.43 O ATOM 0 H ASP A 98 1.885 8.456 3.395 1.00 0.36 H new ATOM 0 HA ASP A 98 2.302 11.142 4.577 1.00 0.37 H new ATOM 0 HB2 ASP A 98 1.616 10.120 6.717 1.00 0.42 H new ATOM 0 HB3 ASP A 98 0.325 9.988 5.540 1.00 0.42 H new ATOM 1002 N GLY A 99 4.364 8.938 4.070 1.00 0.35 N ATOM 1003 CA GLY A 99 5.716 8.450 4.293 1.00 0.41 C ATOM 1004 C GLY A 99 5.745 7.181 5.129 1.00 0.41 C ATOM 1005 O GLY A 99 6.807 6.600 5.369 1.00 0.44 O ATOM 0 H GLY A 99 3.981 8.727 3.148 1.00 0.35 H new ATOM 0 HA2 GLY A 99 6.193 8.259 3.332 1.00 0.41 H new ATOM 0 HA3 GLY A 99 6.301 9.223 4.791 1.00 0.41 H new ATOM 1009 N LEU A 100 4.574 6.762 5.586 1.00 0.46 N ATOM 1010 CA LEU A 100 4.427 5.521 6.325 1.00 0.48 C ATOM 1011 C LEU A 100 3.319 4.687 5.710 1.00 0.38 C ATOM 1012 O LEU A 100 2.535 5.178 4.893 1.00 0.40 O ATOM 1013 CB LEU A 100 4.105 5.786 7.799 1.00 0.61 C ATOM 1014 CG LEU A 100 5.174 6.545 8.581 1.00 0.60 C ATOM 1015 CD1 LEU A 100 4.849 8.030 8.643 1.00 1.11 C ATOM 1016 CD2 LEU A 100 5.318 5.961 9.971 1.00 0.88 C ATOM 0 H LEU A 100 3.701 7.273 5.454 1.00 0.46 H new ATOM 0 HA LEU A 100 5.373 4.982 6.271 1.00 0.48 H new ATOM 0 HB2 LEU A 100 3.173 6.348 7.853 1.00 0.61 H new ATOM 0 HB3 LEU A 100 3.930 4.830 8.292 1.00 0.61 H new ATOM 0 HG LEU A 100 6.126 6.437 8.062 1.00 0.60 H new ATOM 0 HD11 LEU A 100 5.625 8.549 9.205 1.00 1.11 H new ATOM 0 HD12 LEU A 100 4.801 8.435 7.632 1.00 1.11 H new ATOM 0 HD13 LEU A 100 3.887 8.172 9.136 1.00 1.11 H new ATOM 0 HD21 LEU A 100 6.083 6.511 10.519 1.00 0.88 H new ATOM 0 HD22 LEU A 100 4.367 6.039 10.499 1.00 0.88 H new ATOM 0 HD23 LEU A 100 5.607 4.913 9.897 1.00 0.88 H new ATOM 1028 N LEU A 101 3.260 3.431 6.092 1.00 0.35 N ATOM 1029 CA LEU A 101 2.213 2.549 5.629 1.00 0.31 C ATOM 1030 C LEU A 101 1.480 1.958 6.813 1.00 0.34 C ATOM 1031 O LEU A 101 2.106 1.412 7.725 1.00 0.42 O ATOM 1032 CB LEU A 101 2.786 1.427 4.757 1.00 0.33 C ATOM 1033 CG LEU A 101 3.334 1.872 3.404 1.00 0.33 C ATOM 1034 CD1 LEU A 101 3.916 0.685 2.654 1.00 0.39 C ATOM 1035 CD2 LEU A 101 2.241 2.541 2.584 1.00 0.30 C ATOM 0 H LEU A 101 3.930 2.995 6.726 1.00 0.35 H new ATOM 0 HA LEU A 101 1.517 3.130 5.024 1.00 0.31 H new ATOM 0 HB2 LEU A 101 3.584 0.931 5.309 1.00 0.33 H new ATOM 0 HB3 LEU A 101 2.006 0.685 4.589 1.00 0.33 H new ATOM 0 HG LEU A 101 4.130 2.597 3.571 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.303 1.017 1.691 1.00 0.39 H new ATOM 0 HD12 LEU A 101 4.725 0.247 3.238 1.00 0.39 H new ATOM 0 HD13 LEU A 101 3.138 -0.061 2.494 1.00 0.39 H new ATOM 0 HD21 LEU A 101 2.647 2.853 1.622 1.00 0.30 H new ATOM 0 HD22 LEU A 101 1.425 1.837 2.422 1.00 0.30 H new ATOM 0 HD23 LEU A 101 1.867 3.413 3.120 1.00 0.30 H new ATOM 1047 N ASP A 102 0.160 2.087 6.805 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.678 1.456 7.825 1.00 0.39 C ATOM 1049 C ASP A 102 -0.655 -0.038 7.617 1.00 0.24 C ATOM 1050 O ASP A 102 -0.200 -0.506 6.575 1.00 0.20 O ATOM 1051 CB ASP A 102 -2.138 1.920 7.731 1.00 0.57 C ATOM 1052 CG ASP A 102 -2.332 3.395 7.993 1.00 0.70 C ATOM 1053 OD1 ASP A 102 -1.901 4.207 7.157 1.00 0.97 O ATOM 1054 OD2 ASP A 102 -2.942 3.749 9.024 1.00 1.72 O ATOM 0 H ASP A 102 -0.356 2.621 6.106 1.00 0.33 H new ATOM 0 HA ASP A 102 -0.282 1.736 8.801 1.00 0.39 H new ATOM 0 HB2 ASP A 102 -2.520 1.685 6.738 1.00 0.57 H new ATOM 0 HB3 ASP A 102 -2.735 1.353 8.445 1.00 0.57 H new ATOM 1059 N ASP A 103 -1.162 -0.786 8.580 1.00 0.26 N ATOM 1060 CA ASP A 103 -1.346 -2.214 8.397 1.00 0.29 C ATOM 1061 C ASP A 103 -2.248 -2.435 7.176 1.00 0.25 C ATOM 1062 O ASP A 103 -2.110 -3.415 6.442 1.00 0.28 O ATOM 1063 CB ASP A 103 -1.949 -2.844 9.662 1.00 0.45 C ATOM 1064 CG ASP A 103 -3.467 -2.746 9.717 1.00 0.68 C ATOM 1065 OD1 ASP A 103 -3.993 -1.742 10.244 1.00 1.17 O ATOM 1066 OD2 ASP A 103 -4.142 -3.681 9.230 1.00 1.60 O ATOM 0 H ASP A 103 -1.452 -0.431 9.491 1.00 0.26 H new ATOM 0 HA ASP A 103 -0.385 -2.698 8.224 1.00 0.29 H new ATOM 0 HB2 ASP A 103 -1.657 -3.893 9.712 1.00 0.45 H new ATOM 0 HB3 ASP A 103 -1.528 -2.354 10.540 1.00 0.45 H new ATOM 1071 N GLU A 104 -3.136 -1.469 6.947 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.034 -1.476 5.803 1.00 0.28 C ATOM 1073 C GLU A 104 -3.276 -1.309 4.482 1.00 0.23 C ATOM 1074 O GLU A 104 -3.334 -2.180 3.616 1.00 0.24 O ATOM 1075 CB GLU A 104 -5.044 -0.340 5.950 1.00 0.37 C ATOM 1076 CG GLU A 104 -5.917 -0.444 7.184 1.00 0.59 C ATOM 1077 CD GLU A 104 -7.159 -1.271 6.945 1.00 1.07 C ATOM 1078 OE1 GLU A 104 -8.155 -0.723 6.431 1.00 1.63 O ATOM 1079 OE2 GLU A 104 -7.132 -2.475 7.271 1.00 1.66 O ATOM 0 H GLU A 104 -3.250 -0.658 7.555 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.541 -2.441 5.780 1.00 0.28 H new ATOM 0 HB2 GLU A 104 -4.507 0.608 5.977 1.00 0.37 H new ATOM 0 HB3 GLU A 104 -5.683 -0.320 5.067 1.00 0.37 H new ATOM 0 HG2 GLU A 104 -5.341 -0.886 7.997 1.00 0.59 H new ATOM 0 HG3 GLU A 104 -6.207 0.556 7.506 1.00 0.59 H new ATOM 1086 N GLU A 105 -2.540 -0.207 4.329 1.00 0.22 N ATOM 1087 CA GLU A 105 -1.902 0.080 3.048 1.00 0.24 C ATOM 1088 C GLU A 105 -0.623 -0.734 2.843 1.00 0.18 C ATOM 1089 O GLU A 105 -0.158 -0.894 1.715 1.00 0.18 O ATOM 1090 CB GLU A 105 -1.651 1.586 2.847 1.00 0.33 C ATOM 1091 CG GLU A 105 -1.413 2.395 4.111 1.00 0.33 C ATOM 1092 CD GLU A 105 -1.248 3.878 3.807 1.00 0.35 C ATOM 1093 OE1 GLU A 105 -2.045 4.416 3.016 1.00 0.44 O ATOM 1094 OE2 GLU A 105 -0.334 4.524 4.372 1.00 0.37 O ATOM 0 H GLU A 105 -2.374 0.486 5.059 1.00 0.22 H new ATOM 0 HA GLU A 105 -2.607 -0.233 2.278 1.00 0.24 H new ATOM 0 HB2 GLU A 105 -0.787 1.706 2.194 1.00 0.33 H new ATOM 0 HB3 GLU A 105 -2.508 2.010 2.323 1.00 0.33 H new ATOM 0 HG2 GLU A 105 -2.249 2.255 4.796 1.00 0.33 H new ATOM 0 HG3 GLU A 105 -0.521 2.026 4.617 1.00 0.33 H new ATOM 1101 N PHE A 106 -0.066 -1.272 3.918 1.00 0.18 N ATOM 1102 CA PHE A 106 1.069 -2.171 3.783 1.00 0.17 C ATOM 1103 C PHE A 106 0.576 -3.530 3.315 1.00 0.18 C ATOM 1104 O PHE A 106 1.253 -4.227 2.549 1.00 0.23 O ATOM 1105 CB PHE A 106 1.842 -2.295 5.098 1.00 0.18 C ATOM 1106 CG PHE A 106 3.096 -3.115 4.971 1.00 0.24 C ATOM 1107 CD1 PHE A 106 4.127 -2.710 4.140 1.00 0.35 C ATOM 1108 CD2 PHE A 106 3.245 -4.291 5.692 1.00 0.33 C ATOM 1109 CE1 PHE A 106 5.286 -3.458 4.033 1.00 0.42 C ATOM 1110 CE2 PHE A 106 4.399 -5.044 5.588 1.00 0.42 C ATOM 1111 CZ PHE A 106 5.409 -4.637 4.714 1.00 0.42 C ATOM 0 H PHE A 106 -0.374 -1.106 4.876 1.00 0.18 H new ATOM 0 HA PHE A 106 1.757 -1.761 3.044 1.00 0.17 H new ATOM 0 HB2 PHE A 106 2.102 -1.298 5.455 1.00 0.18 H new ATOM 0 HB3 PHE A 106 1.196 -2.745 5.851 1.00 0.18 H new ATOM 0 HD1 PHE A 106 4.025 -1.799 3.569 1.00 0.35 H new ATOM 0 HD2 PHE A 106 2.449 -4.622 6.343 1.00 0.33 H new ATOM 0 HE1 PHE A 106 6.096 -3.109 3.410 1.00 0.42 H new ATOM 0 HE2 PHE A 106 4.519 -5.940 6.178 1.00 0.42 H new ATOM 0 HZ PHE A 106 6.286 -5.252 4.576 1.00 0.42 H new ATOM 1121 N ALA A 107 -0.618 -3.897 3.769 1.00 0.18 N ATOM 1122 CA ALA A 107 -1.285 -5.083 3.263 1.00 0.19 C ATOM 1123 C ALA A 107 -1.557 -4.910 1.776 1.00 0.18 C ATOM 1124 O ALA A 107 -1.314 -5.813 0.975 1.00 0.22 O ATOM 1125 CB ALA A 107 -2.581 -5.330 4.017 1.00 0.21 C ATOM 0 H ALA A 107 -1.139 -3.390 4.484 1.00 0.18 H new ATOM 0 HA ALA A 107 -0.640 -5.949 3.412 1.00 0.19 H new ATOM 0 HB1 ALA A 107 -3.066 -6.223 3.623 1.00 0.21 H new ATOM 0 HB2 ALA A 107 -2.365 -5.471 5.076 1.00 0.21 H new ATOM 0 HB3 ALA A 107 -3.243 -4.473 3.893 1.00 0.21 H new ATOM 1131 N LEU A 108 -2.043 -3.725 1.417 1.00 0.17 N ATOM 1132 CA LEU A 108 -2.322 -3.391 0.026 1.00 0.19 C ATOM 1133 C LEU A 108 -1.033 -3.479 -0.799 1.00 0.20 C ATOM 1134 O LEU A 108 -1.021 -4.080 -1.874 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.936 -1.981 -0.058 1.00 0.23 C ATOM 1136 CG LEU A 108 -3.765 -1.683 -1.318 1.00 0.32 C ATOM 1137 CD1 LEU A 108 -4.603 -0.438 -1.104 1.00 1.33 C ATOM 1138 CD2 LEU A 108 -2.877 -1.500 -2.541 1.00 1.14 C ATOM 0 H LEU A 108 -2.253 -2.976 2.077 1.00 0.17 H new ATOM 0 HA LEU A 108 -3.039 -4.103 -0.383 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -3.571 -1.830 0.815 1.00 0.23 H new ATOM 0 HB3 LEU A 108 -2.129 -1.250 0.004 1.00 0.23 H new ATOM 0 HG LEU A 108 -4.417 -2.538 -1.498 1.00 0.32 H new ATOM 0 HD11 LEU A 108 -5.187 -0.234 -2.001 1.00 1.33 H new ATOM 0 HD12 LEU A 108 -5.276 -0.593 -0.260 1.00 1.33 H new ATOM 0 HD13 LEU A 108 -3.949 0.409 -0.896 1.00 1.33 H new ATOM 0 HD21 LEU A 108 -3.497 -1.291 -3.413 1.00 1.14 H new ATOM 0 HD22 LEU A 108 -2.194 -0.667 -2.373 1.00 1.14 H new ATOM 0 HD23 LEU A 108 -2.303 -2.411 -2.714 1.00 1.14 H new ATOM 1150 N ALA A 109 0.050 -2.900 -0.275 1.00 0.23 N ATOM 1151 CA ALA A 109 1.354 -2.940 -0.941 1.00 0.28 C ATOM 1152 C ALA A 109 1.793 -4.374 -1.217 1.00 0.29 C ATOM 1153 O ALA A 109 2.181 -4.709 -2.335 1.00 0.32 O ATOM 1154 CB ALA A 109 2.411 -2.228 -0.103 1.00 0.32 C ATOM 0 H ALA A 109 0.049 -2.396 0.612 1.00 0.23 H new ATOM 0 HA ALA A 109 1.249 -2.423 -1.895 1.00 0.28 H new ATOM 0 HB1 ALA A 109 3.371 -2.270 -0.617 1.00 0.32 H new ATOM 0 HB2 ALA A 109 2.121 -1.187 0.040 1.00 0.32 H new ATOM 0 HB3 ALA A 109 2.497 -2.718 0.867 1.00 0.32 H new ATOM 1160 N ASN A 110 1.725 -5.221 -0.194 1.00 0.30 N ATOM 1161 CA ASN A 110 2.111 -6.625 -0.337 1.00 0.33 C ATOM 1162 C ASN A 110 1.184 -7.358 -1.292 1.00 0.33 C ATOM 1163 O ASN A 110 1.604 -8.273 -2.002 1.00 0.39 O ATOM 1164 CB ASN A 110 2.133 -7.337 1.018 1.00 0.36 C ATOM 1165 CG ASN A 110 3.434 -7.119 1.759 1.00 0.58 C ATOM 1166 OD1 ASN A 110 4.382 -7.890 1.612 1.00 1.20 O ATOM 1167 ND2 ASN A 110 3.498 -6.069 2.558 1.00 0.71 N ATOM 0 H ASN A 110 1.408 -4.963 0.740 1.00 0.30 H new ATOM 0 HA ASN A 110 3.119 -6.639 -0.752 1.00 0.33 H new ATOM 0 HB2 ASN A 110 1.305 -6.977 1.629 1.00 0.36 H new ATOM 0 HB3 ASN A 110 1.978 -8.405 0.867 1.00 0.36 H new ATOM 0 HD21 ASN A 110 4.354 -5.875 3.078 1.00 0.71 H new ATOM 0 HD22 ASN A 110 2.692 -5.452 2.655 1.00 0.71 H new ATOM 1174 N HIS A 111 -0.077 -6.954 -1.314 1.00 0.29 N ATOM 1175 CA HIS A 111 -1.048 -7.552 -2.217 1.00 0.30 C ATOM 1176 C HIS A 111 -0.707 -7.179 -3.661 1.00 0.33 C ATOM 1177 O HIS A 111 -0.893 -7.982 -4.572 1.00 0.46 O ATOM 1178 CB HIS A 111 -2.466 -7.090 -1.865 1.00 0.26 C ATOM 1179 CG HIS A 111 -3.546 -8.027 -2.326 1.00 0.31 C ATOM 1180 ND1 HIS A 111 -3.954 -9.130 -1.603 1.00 0.46 N ATOM 1181 CD2 HIS A 111 -4.312 -8.008 -3.440 1.00 0.36 C ATOM 1182 CE1 HIS A 111 -4.928 -9.746 -2.253 1.00 0.52 C ATOM 1183 NE2 HIS A 111 -5.164 -9.084 -3.371 1.00 0.45 N ATOM 0 H HIS A 111 -0.451 -6.216 -0.718 1.00 0.29 H new ATOM 0 HA HIS A 111 -1.008 -8.636 -2.111 1.00 0.30 H new ATOM 0 HB2 HIS A 111 -2.540 -6.970 -0.784 1.00 0.26 H new ATOM 0 HB3 HIS A 111 -2.638 -6.109 -2.307 1.00 0.26 H new ATOM 0 HD2 HIS A 111 -4.263 -7.281 -4.237 1.00 0.36 H new ATOM 0 HE1 HIS A 111 -5.442 -10.638 -1.925 1.00 0.52 H new ATOM 0 HE2 HIS A 111 -5.865 -9.331 -4.070 1.00 0.45 H new ATOM 1192 N LEU A 112 -0.207 -5.958 -3.854 1.00 0.27 N ATOM 1193 CA LEU A 112 0.248 -5.505 -5.170 1.00 0.32 C ATOM 1194 C LEU A 112 1.461 -6.313 -5.618 1.00 0.36 C ATOM 1195 O LEU A 112 1.522 -6.781 -6.756 1.00 0.40 O ATOM 1196 CB LEU A 112 0.613 -4.019 -5.140 1.00 0.36 C ATOM 1197 CG LEU A 112 -0.533 -3.062 -4.820 1.00 0.43 C ATOM 1198 CD1 LEU A 112 -0.001 -1.643 -4.687 1.00 0.55 C ATOM 1199 CD2 LEU A 112 -1.611 -3.133 -5.894 1.00 0.52 C ATOM 0 H LEU A 112 -0.106 -5.263 -3.114 1.00 0.27 H new ATOM 0 HA LEU A 112 -0.569 -5.654 -5.876 1.00 0.32 H new ATOM 0 HB2 LEU A 112 1.401 -3.872 -4.402 1.00 0.36 H new ATOM 0 HB3 LEU A 112 1.030 -3.746 -6.110 1.00 0.36 H new ATOM 0 HG LEU A 112 -0.983 -3.359 -3.873 1.00 0.43 H new ATOM 0 HD11 LEU A 112 -0.824 -0.966 -4.459 1.00 0.55 H new ATOM 0 HD12 LEU A 112 0.735 -1.604 -3.884 1.00 0.55 H new ATOM 0 HD13 LEU A 112 0.468 -1.341 -5.623 1.00 0.55 H new ATOM 0 HD21 LEU A 112 -2.418 -2.443 -5.646 1.00 0.52 H new ATOM 0 HD22 LEU A 112 -1.183 -2.859 -6.858 1.00 0.52 H new ATOM 0 HD23 LEU A 112 -2.005 -4.148 -5.948 1.00 0.52 H new ATOM 1211 N ILE A 113 2.421 -6.469 -4.708 1.00 0.39 N ATOM 1212 CA ILE A 113 3.615 -7.267 -4.971 1.00 0.49 C ATOM 1213 C ILE A 113 3.211 -8.681 -5.365 1.00 0.54 C ATOM 1214 O ILE A 113 3.720 -9.244 -6.335 1.00 0.60 O ATOM 1215 CB ILE A 113 4.540 -7.328 -3.734 1.00 0.55 C ATOM 1216 CG1 ILE A 113 4.999 -5.921 -3.337 1.00 0.57 C ATOM 1217 CG2 ILE A 113 5.744 -8.217 -4.010 1.00 0.73 C ATOM 1218 CD1 ILE A 113 5.914 -5.889 -2.129 1.00 0.84 C ATOM 0 H ILE A 113 2.394 -6.051 -3.778 1.00 0.39 H new ATOM 0 HA ILE A 113 4.162 -6.791 -5.785 1.00 0.49 H new ATOM 0 HB ILE A 113 3.976 -7.756 -2.906 1.00 0.55 H new ATOM 0 HG12 ILE A 113 5.515 -5.466 -4.183 1.00 0.57 H new ATOM 0 HG13 ILE A 113 4.121 -5.308 -3.132 1.00 0.57 H new ATOM 0 HG21 ILE A 113 6.384 -8.248 -3.128 1.00 0.73 H new ATOM 0 HG22 ILE A 113 5.405 -9.225 -4.248 1.00 0.73 H new ATOM 0 HG23 ILE A 113 6.307 -7.816 -4.853 1.00 0.73 H new ATOM 0 HD11 ILE A 113 6.194 -4.858 -1.912 1.00 0.84 H new ATOM 0 HD12 ILE A 113 5.396 -6.313 -1.269 1.00 0.84 H new ATOM 0 HD13 ILE A 113 6.811 -6.473 -2.336 1.00 0.84 H new ATOM 1230 N LYS A 114 2.266 -9.227 -4.609 1.00 0.56 N ATOM 1231 CA LYS A 114 1.730 -10.559 -4.865 1.00 0.70 C ATOM 1232 C LYS A 114 1.168 -10.657 -6.278 1.00 0.66 C ATOM 1233 O LYS A 114 1.500 -11.577 -7.018 1.00 0.68 O ATOM 1234 CB LYS A 114 0.640 -10.900 -3.841 1.00 0.86 C ATOM 1235 CG LYS A 114 -0.062 -12.222 -4.116 1.00 1.54 C ATOM 1236 CD LYS A 114 0.855 -13.413 -3.887 1.00 2.03 C ATOM 1237 CE LYS A 114 1.118 -13.630 -2.407 1.00 2.96 C ATOM 1238 NZ LYS A 114 1.827 -14.913 -2.152 1.00 3.83 N ATOM 0 H LYS A 114 1.850 -8.760 -3.803 1.00 0.56 H new ATOM 0 HA LYS A 114 2.545 -11.276 -4.769 1.00 0.70 H new ATOM 0 HB2 LYS A 114 1.085 -10.935 -2.847 1.00 0.86 H new ATOM 0 HB3 LYS A 114 -0.100 -10.100 -3.831 1.00 0.86 H new ATOM 0 HG2 LYS A 114 -0.937 -12.309 -3.471 1.00 1.54 H new ATOM 0 HG3 LYS A 114 -0.422 -12.234 -5.145 1.00 1.54 H new ATOM 0 HD2 LYS A 114 0.404 -14.309 -4.314 1.00 2.03 H new ATOM 0 HD3 LYS A 114 1.800 -13.253 -4.407 1.00 2.03 H new ATOM 0 HE2 LYS A 114 1.713 -12.803 -2.019 1.00 2.96 H new ATOM 0 HE3 LYS A 114 0.172 -13.624 -1.865 1.00 2.96 H new ATOM 0 HZ1 LYS A 114 1.988 -15.024 -1.130 1.00 3.83 H new ATOM 0 HZ2 LYS A 114 1.248 -15.704 -2.499 1.00 3.83 H new ATOM 0 HZ3 LYS A 114 2.741 -14.909 -2.648 1.00 3.83 H new ATOM 1252 N VAL A 115 0.329 -9.695 -6.643 1.00 0.64 N ATOM 1253 CA VAL A 115 -0.308 -9.676 -7.959 1.00 0.70 C ATOM 1254 C VAL A 115 0.725 -9.651 -9.082 1.00 0.71 C ATOM 1255 O VAL A 115 0.591 -10.367 -10.080 1.00 0.82 O ATOM 1256 CB VAL A 115 -1.263 -8.465 -8.090 1.00 0.80 C ATOM 1257 CG1 VAL A 115 -1.709 -8.252 -9.529 1.00 1.19 C ATOM 1258 CG2 VAL A 115 -2.471 -8.653 -7.187 1.00 1.07 C ATOM 0 H VAL A 115 0.071 -8.912 -6.043 1.00 0.64 H new ATOM 0 HA VAL A 115 -0.887 -10.595 -8.052 1.00 0.70 H new ATOM 0 HB VAL A 115 -0.716 -7.575 -7.780 1.00 0.80 H new ATOM 0 HG11 VAL A 115 -2.378 -7.393 -9.579 1.00 1.19 H new ATOM 0 HG12 VAL A 115 -0.837 -8.070 -10.157 1.00 1.19 H new ATOM 0 HG13 VAL A 115 -2.232 -9.140 -9.883 1.00 1.19 H new ATOM 0 HG21 VAL A 115 -3.137 -7.796 -7.287 1.00 1.07 H new ATOM 0 HG22 VAL A 115 -3.002 -9.560 -7.474 1.00 1.07 H new ATOM 0 HG23 VAL A 115 -2.141 -8.738 -6.152 1.00 1.07 H new ATOM 1268 N LYS A 116 1.759 -8.844 -8.918 1.00 0.65 N ATOM 1269 CA LYS A 116 2.792 -8.731 -9.932 1.00 0.73 C ATOM 1270 C LYS A 116 3.626 -10.013 -10.000 1.00 0.76 C ATOM 1271 O LYS A 116 3.936 -10.496 -11.088 1.00 0.90 O ATOM 1272 CB LYS A 116 3.677 -7.513 -9.658 1.00 0.72 C ATOM 1273 CG LYS A 116 4.715 -7.255 -10.743 1.00 0.95 C ATOM 1274 CD LYS A 116 4.076 -7.119 -12.122 1.00 0.93 C ATOM 1275 CE LYS A 116 3.237 -5.858 -12.249 1.00 1.06 C ATOM 1276 NZ LYS A 116 2.615 -5.755 -13.597 1.00 1.32 N ATOM 0 H LYS A 116 1.905 -8.259 -8.095 1.00 0.65 H new ATOM 0 HA LYS A 116 2.313 -8.592 -10.901 1.00 0.73 H new ATOM 0 HB2 LYS A 116 3.045 -6.631 -9.555 1.00 0.72 H new ATOM 0 HB3 LYS A 116 4.187 -7.652 -8.705 1.00 0.72 H new ATOM 0 HG2 LYS A 116 5.267 -6.345 -10.508 1.00 0.95 H new ATOM 0 HG3 LYS A 116 5.437 -8.072 -10.756 1.00 0.95 H new ATOM 0 HD2 LYS A 116 4.857 -7.111 -12.882 1.00 0.93 H new ATOM 0 HD3 LYS A 116 3.450 -7.990 -12.317 1.00 0.93 H new ATOM 0 HE2 LYS A 116 2.458 -5.858 -11.486 1.00 1.06 H new ATOM 0 HE3 LYS A 116 3.861 -4.983 -12.067 1.00 1.06 H new ATOM 0 HZ1 LYS A 116 2.133 -4.838 -13.688 1.00 1.32 H new ATOM 0 HZ2 LYS A 116 3.352 -5.833 -14.326 1.00 1.32 H new ATOM 0 HZ3 LYS A 116 1.924 -6.522 -13.720 1.00 1.32 H new ATOM 1290 N LEU A 117 3.955 -10.578 -8.841 1.00 0.67 N ATOM 1291 CA LEU A 117 4.736 -11.813 -8.785 1.00 0.74 C ATOM 1292 C LEU A 117 3.930 -12.994 -9.310 1.00 0.78 C ATOM 1293 O LEU A 117 4.486 -13.943 -9.860 1.00 0.85 O ATOM 1294 CB LEU A 117 5.191 -12.109 -7.354 1.00 0.74 C ATOM 1295 CG LEU A 117 6.188 -11.114 -6.759 1.00 0.79 C ATOM 1296 CD1 LEU A 117 6.589 -11.538 -5.354 1.00 0.90 C ATOM 1297 CD2 LEU A 117 7.415 -10.991 -7.650 1.00 0.96 C ATOM 0 H LEU A 117 3.694 -10.202 -7.929 1.00 0.67 H new ATOM 0 HA LEU A 117 5.613 -11.671 -9.417 1.00 0.74 H new ATOM 0 HB2 LEU A 117 4.311 -12.142 -6.712 1.00 0.74 H new ATOM 0 HB3 LEU A 117 5.639 -13.102 -7.332 1.00 0.74 H new ATOM 0 HG LEU A 117 5.707 -10.138 -6.700 1.00 0.79 H new ATOM 0 HD11 LEU A 117 7.299 -10.819 -4.946 1.00 0.90 H new ATOM 0 HD12 LEU A 117 5.704 -11.575 -4.719 1.00 0.90 H new ATOM 0 HD13 LEU A 117 7.052 -12.524 -5.390 1.00 0.90 H new ATOM 0 HD21 LEU A 117 8.114 -10.279 -7.211 1.00 0.96 H new ATOM 0 HD22 LEU A 117 7.898 -11.964 -7.741 1.00 0.96 H new ATOM 0 HD23 LEU A 117 7.114 -10.642 -8.638 1.00 0.96 H new ATOM 1309 N GLU A 118 2.617 -12.928 -9.126 1.00 0.78 N ATOM 1310 CA GLU A 118 1.718 -13.981 -9.581 1.00 0.90 C ATOM 1311 C GLU A 118 1.540 -13.914 -11.098 1.00 1.00 C ATOM 1312 O GLU A 118 1.087 -14.869 -11.727 1.00 1.17 O ATOM 1313 CB GLU A 118 0.367 -13.865 -8.867 1.00 0.95 C ATOM 1314 CG GLU A 118 -0.545 -15.060 -9.075 1.00 1.31 C ATOM 1315 CD GLU A 118 -1.837 -14.947 -8.298 1.00 1.52 C ATOM 1316 OE1 GLU A 118 -1.877 -15.401 -7.137 1.00 2.18 O ATOM 1317 OE2 GLU A 118 -2.818 -14.401 -8.847 1.00 1.90 O ATOM 0 H GLU A 118 2.149 -12.150 -8.661 1.00 0.78 H new ATOM 0 HA GLU A 118 2.156 -14.948 -9.335 1.00 0.90 H new ATOM 0 HB2 GLU A 118 0.542 -13.736 -7.799 1.00 0.95 H new ATOM 0 HB3 GLU A 118 -0.142 -12.967 -9.218 1.00 0.95 H new ATOM 0 HG2 GLU A 118 -0.771 -15.159 -10.137 1.00 1.31 H new ATOM 0 HG3 GLU A 118 -0.022 -15.968 -8.774 1.00 1.31 H new ATOM 1324 N GLY A 119 1.907 -12.779 -11.678 1.00 0.95 N ATOM 1325 CA GLY A 119 1.864 -12.636 -13.119 1.00 1.06 C ATOM 1326 C GLY A 119 0.627 -11.905 -13.606 1.00 1.06 C ATOM 1327 O GLY A 119 0.112 -12.200 -14.682 1.00 1.16 O ATOM 0 H GLY A 119 2.234 -11.954 -11.175 1.00 0.95 H new ATOM 0 HA2 GLY A 119 2.752 -12.098 -13.452 1.00 1.06 H new ATOM 0 HA3 GLY A 119 1.899 -13.624 -13.578 1.00 1.06 H new ATOM 1331 N HIS A 120 0.138 -10.962 -12.815 1.00 0.96 N ATOM 1332 CA HIS A 120 -1.017 -10.164 -13.207 1.00 0.97 C ATOM 1333 C HIS A 120 -0.631 -8.691 -13.264 1.00 0.94 C ATOM 1334 O HIS A 120 0.522 -8.332 -13.008 1.00 0.95 O ATOM 1335 CB HIS A 120 -2.189 -10.380 -12.238 1.00 0.94 C ATOM 1336 CG HIS A 120 -2.709 -11.784 -12.218 1.00 1.40 C ATOM 1337 ND1 HIS A 120 -3.807 -12.198 -12.943 1.00 1.80 N ATOM 1338 CD2 HIS A 120 -2.275 -12.873 -11.547 1.00 1.83 C ATOM 1339 CE1 HIS A 120 -4.024 -13.478 -12.712 1.00 2.36 C ATOM 1340 NE2 HIS A 120 -3.106 -13.915 -11.871 1.00 2.42 N ATOM 0 H HIS A 120 0.521 -10.730 -11.899 1.00 0.96 H new ATOM 0 HA HIS A 120 -1.342 -10.484 -14.197 1.00 0.97 H new ATOM 0 HB2 HIS A 120 -1.871 -10.106 -11.232 1.00 0.94 H new ATOM 0 HB3 HIS A 120 -3.001 -9.706 -12.510 1.00 0.94 H new ATOM 0 HD2 HIS A 120 -1.428 -12.915 -10.878 1.00 1.83 H new ATOM 0 HE1 HIS A 120 -4.820 -14.070 -13.140 1.00 2.36 H new ATOM 0 HE2 HIS A 120 -3.027 -14.869 -11.520 1.00 2.42 H new ATOM 1349 N GLU A 121 -1.584 -7.839 -13.598 1.00 1.03 N ATOM 1350 CA GLU A 121 -1.295 -6.426 -13.761 1.00 1.05 C ATOM 1351 C GLU A 121 -2.068 -5.587 -12.753 1.00 0.98 C ATOM 1352 O GLU A 121 -3.162 -5.957 -12.328 1.00 1.14 O ATOM 1353 CB GLU A 121 -1.629 -5.981 -15.188 1.00 1.25 C ATOM 1354 CG GLU A 121 -1.154 -4.574 -15.512 1.00 1.61 C ATOM 1355 CD GLU A 121 0.323 -4.391 -15.231 1.00 1.79 C ATOM 1356 OE1 GLU A 121 0.674 -4.017 -14.097 1.00 2.53 O ATOM 1357 OE2 GLU A 121 1.140 -4.595 -16.157 1.00 1.77 O ATOM 0 H GLU A 121 -2.557 -8.098 -13.760 1.00 1.03 H new ATOM 0 HA GLU A 121 -0.231 -6.274 -13.580 1.00 1.05 H new ATOM 0 HB2 GLU A 121 -1.178 -6.679 -15.893 1.00 1.25 H new ATOM 0 HB3 GLU A 121 -2.708 -6.034 -15.333 1.00 1.25 H new ATOM 0 HG2 GLU A 121 -1.352 -4.358 -16.562 1.00 1.61 H new ATOM 0 HG3 GLU A 121 -1.726 -3.855 -14.925 1.00 1.61 H new ATOM 1364 N LEU A 122 -1.474 -4.469 -12.367 1.00 0.90 N ATOM 1365 CA LEU A 122 -2.122 -3.512 -11.488 1.00 0.87 C ATOM 1366 C LEU A 122 -2.501 -2.261 -12.276 1.00 0.93 C ATOM 1367 O LEU A 122 -1.781 -1.853 -13.189 1.00 1.02 O ATOM 1368 CB LEU A 122 -1.214 -3.176 -10.293 1.00 0.89 C ATOM 1369 CG LEU A 122 0.250 -2.856 -10.627 1.00 1.05 C ATOM 1370 CD1 LEU A 122 0.434 -1.382 -10.952 1.00 1.33 C ATOM 1371 CD2 LEU A 122 1.152 -3.269 -9.475 1.00 1.16 C ATOM 0 H LEU A 122 -0.532 -4.201 -12.654 1.00 0.90 H new ATOM 0 HA LEU A 122 -3.036 -3.951 -11.088 1.00 0.87 H new ATOM 0 HB2 LEU A 122 -1.641 -2.322 -9.767 1.00 0.89 H new ATOM 0 HB3 LEU A 122 -1.232 -4.018 -9.601 1.00 0.89 H new ATOM 0 HG LEU A 122 0.529 -3.426 -11.514 1.00 1.05 H new ATOM 0 HD11 LEU A 122 1.481 -1.189 -11.184 1.00 1.33 H new ATOM 0 HD12 LEU A 122 -0.183 -1.119 -11.812 1.00 1.33 H new ATOM 0 HD13 LEU A 122 0.135 -0.780 -10.094 1.00 1.33 H new ATOM 0 HD21 LEU A 122 2.188 -3.037 -9.723 1.00 1.16 H new ATOM 0 HD22 LEU A 122 0.864 -2.726 -8.575 1.00 1.16 H new ATOM 0 HD23 LEU A 122 1.052 -4.340 -9.300 1.00 1.16 H new ATOM 1383 N PRO A 123 -3.652 -1.646 -11.959 1.00 0.97 N ATOM 1384 CA PRO A 123 -4.153 -0.483 -12.702 1.00 1.06 C ATOM 1385 C PRO A 123 -3.369 0.797 -12.415 1.00 1.07 C ATOM 1386 O PRO A 123 -3.508 1.785 -13.136 1.00 1.18 O ATOM 1387 CB PRO A 123 -5.593 -0.342 -12.207 1.00 1.18 C ATOM 1388 CG PRO A 123 -5.588 -0.942 -10.844 1.00 1.33 C ATOM 1389 CD PRO A 123 -4.569 -2.049 -10.878 1.00 1.02 C ATOM 0 HA PRO A 123 -4.061 -0.629 -13.778 1.00 1.06 H new ATOM 0 HB2 PRO A 123 -5.901 0.703 -12.178 1.00 1.18 H new ATOM 0 HB3 PRO A 123 -6.290 -0.861 -12.865 1.00 1.18 H new ATOM 0 HG2 PRO A 123 -5.329 -0.197 -10.091 1.00 1.33 H new ATOM 0 HG3 PRO A 123 -6.574 -1.328 -10.585 1.00 1.33 H new ATOM 0 HD2 PRO A 123 -4.048 -2.143 -9.925 1.00 1.02 H new ATOM 0 HD3 PRO A 123 -5.032 -3.014 -11.085 1.00 1.02 H new ATOM 1397 N ALA A 124 -2.559 0.765 -11.353 1.00 1.00 N ATOM 1398 CA ALA A 124 -1.777 1.924 -10.904 1.00 1.07 C ATOM 1399 C ALA A 124 -2.684 3.094 -10.520 1.00 1.11 C ATOM 1400 O ALA A 124 -2.240 4.236 -10.405 1.00 1.25 O ATOM 1401 CB ALA A 124 -0.768 2.346 -11.965 1.00 1.23 C ATOM 0 H ALA A 124 -2.426 -0.067 -10.778 1.00 1.00 H new ATOM 0 HA ALA A 124 -1.227 1.624 -10.012 1.00 1.07 H new ATOM 0 HB1 ALA A 124 -0.202 3.206 -11.607 1.00 1.23 H new ATOM 0 HB2 ALA A 124 -0.085 1.521 -12.166 1.00 1.23 H new ATOM 0 HB3 ALA A 124 -1.294 2.613 -12.881 1.00 1.23 H new ATOM 1407 N ASP A 125 -3.953 2.785 -10.297 1.00 1.06 N ATOM 1408 CA ASP A 125 -4.918 3.755 -9.806 1.00 1.15 C ATOM 1409 C ASP A 125 -5.714 3.096 -8.692 1.00 1.07 C ATOM 1410 O ASP A 125 -5.692 1.868 -8.576 1.00 1.04 O ATOM 1411 CB ASP A 125 -5.849 4.228 -10.934 1.00 1.24 C ATOM 1412 CG ASP A 125 -6.697 5.422 -10.530 1.00 1.94 C ATOM 1413 OD1 ASP A 125 -6.133 6.517 -10.338 1.00 2.11 O ATOM 1414 OD2 ASP A 125 -7.931 5.270 -10.399 1.00 2.73 O ATOM 0 H ASP A 125 -4.342 1.855 -10.452 1.00 1.06 H new ATOM 0 HA ASP A 125 -4.400 4.637 -9.430 1.00 1.15 H new ATOM 0 HB2 ASP A 125 -5.252 4.490 -11.807 1.00 1.24 H new ATOM 0 HB3 ASP A 125 -6.502 3.407 -11.230 1.00 1.24 H new ATOM 1419 N LEU A 126 -6.402 3.880 -7.880 1.00 1.07 N ATOM 1420 CA LEU A 126 -7.140 3.332 -6.747 1.00 1.02 C ATOM 1421 C LEU A 126 -8.648 3.405 -6.973 1.00 1.10 C ATOM 1422 O LEU A 126 -9.276 4.436 -6.712 1.00 1.20 O ATOM 1423 CB LEU A 126 -6.768 4.062 -5.453 1.00 1.00 C ATOM 1424 CG LEU A 126 -5.393 3.719 -4.885 1.00 0.91 C ATOM 1425 CD1 LEU A 126 -5.080 4.605 -3.691 1.00 1.17 C ATOM 1426 CD2 LEU A 126 -5.335 2.251 -4.486 1.00 1.66 C ATOM 0 H LEU A 126 -6.467 4.893 -7.980 1.00 1.07 H new ATOM 0 HA LEU A 126 -6.861 2.282 -6.654 1.00 1.02 H new ATOM 0 HB2 LEU A 126 -6.810 5.136 -5.635 1.00 1.00 H new ATOM 0 HB3 LEU A 126 -7.522 3.837 -4.698 1.00 1.00 H new ATOM 0 HG LEU A 126 -4.644 3.898 -5.656 1.00 0.91 H new ATOM 0 HD11 LEU A 126 -4.097 4.349 -3.296 1.00 1.17 H new ATOM 0 HD12 LEU A 126 -5.086 5.650 -4.002 1.00 1.17 H new ATOM 0 HD13 LEU A 126 -5.833 4.452 -2.917 1.00 1.17 H new ATOM 0 HD21 LEU A 126 -4.348 2.022 -4.083 1.00 1.66 H new ATOM 0 HD22 LEU A 126 -6.092 2.050 -3.728 1.00 1.66 H new ATOM 0 HD23 LEU A 126 -5.523 1.628 -5.361 1.00 1.66 H new ATOM 1438 N PRO A 127 -9.246 2.323 -7.498 1.00 1.08 N ATOM 1439 CA PRO A 127 -10.694 2.216 -7.637 1.00 1.16 C ATOM 1440 C PRO A 127 -11.356 1.928 -6.293 1.00 1.08 C ATOM 1441 O PRO A 127 -10.714 1.396 -5.387 1.00 0.96 O ATOM 1442 CB PRO A 127 -10.873 1.039 -8.597 1.00 1.17 C ATOM 1443 CG PRO A 127 -9.669 0.191 -8.380 1.00 1.11 C ATOM 1444 CD PRO A 127 -8.551 1.130 -8.009 1.00 1.03 C ATOM 0 HA PRO A 127 -11.153 3.136 -7.999 1.00 1.16 H new ATOM 0 HB2 PRO A 127 -11.789 0.489 -8.383 1.00 1.17 H new ATOM 0 HB3 PRO A 127 -10.938 1.377 -9.631 1.00 1.17 H new ATOM 0 HG2 PRO A 127 -9.844 -0.537 -7.588 1.00 1.11 H new ATOM 0 HG3 PRO A 127 -9.422 -0.371 -9.281 1.00 1.11 H new ATOM 0 HD2 PRO A 127 -7.897 0.694 -7.254 1.00 1.03 H new ATOM 0 HD3 PRO A 127 -7.928 1.369 -8.871 1.00 1.03 H new ATOM 1452 N PRO A 128 -12.643 2.287 -6.145 1.00 1.19 N ATOM 1453 CA PRO A 128 -13.395 2.113 -4.893 1.00 1.21 C ATOM 1454 C PRO A 128 -13.196 0.753 -4.214 1.00 1.10 C ATOM 1455 O PRO A 128 -13.127 0.680 -2.990 1.00 1.18 O ATOM 1456 CB PRO A 128 -14.843 2.272 -5.344 1.00 1.37 C ATOM 1457 CG PRO A 128 -14.770 3.221 -6.490 1.00 1.54 C ATOM 1458 CD PRO A 128 -13.464 2.937 -7.187 1.00 1.37 C ATOM 0 HA PRO A 128 -13.064 2.826 -4.138 1.00 1.21 H new ATOM 0 HB2 PRO A 128 -15.273 1.317 -5.645 1.00 1.37 H new ATOM 0 HB3 PRO A 128 -15.469 2.664 -4.542 1.00 1.37 H new ATOM 0 HG2 PRO A 128 -15.612 3.079 -7.168 1.00 1.54 H new ATOM 0 HG3 PRO A 128 -14.810 4.254 -6.144 1.00 1.54 H new ATOM 0 HD2 PRO A 128 -13.604 2.286 -8.050 1.00 1.37 H new ATOM 0 HD3 PRO A 128 -12.997 3.852 -7.551 1.00 1.37 H new ATOM 1466 N HIS A 129 -13.083 -0.317 -4.998 1.00 1.01 N ATOM 1467 CA HIS A 129 -12.989 -1.662 -4.423 1.00 0.97 C ATOM 1468 C HIS A 129 -11.562 -1.992 -3.975 1.00 0.84 C ATOM 1469 O HIS A 129 -11.261 -3.141 -3.652 1.00 0.85 O ATOM 1470 CB HIS A 129 -13.518 -2.734 -5.403 1.00 1.00 C ATOM 1471 CG HIS A 129 -12.638 -3.035 -6.588 1.00 0.91 C ATOM 1472 ND1 HIS A 129 -12.715 -2.347 -7.775 1.00 1.07 N ATOM 1473 CD2 HIS A 129 -11.699 -3.992 -6.777 1.00 0.84 C ATOM 1474 CE1 HIS A 129 -11.871 -2.868 -8.643 1.00 1.02 C ATOM 1475 NE2 HIS A 129 -11.239 -3.874 -8.066 1.00 0.89 N ATOM 0 H HIS A 129 -13.054 -0.284 -6.017 1.00 1.01 H new ATOM 0 HA HIS A 129 -13.623 -1.672 -3.537 1.00 0.97 H new ATOM 0 HB2 HIS A 129 -13.676 -3.659 -4.848 1.00 1.00 H new ATOM 0 HB3 HIS A 129 -14.492 -2.413 -5.771 1.00 1.00 H new ATOM 0 HD2 HIS A 129 -11.371 -4.717 -6.047 1.00 0.84 H new ATOM 0 HE1 HIS A 129 -11.721 -2.529 -9.657 1.00 1.02 H new ATOM 0 HE2 HIS A 129 -10.530 -4.463 -8.503 1.00 0.89 H new ATOM 1484 N LEU A 130 -10.686 -0.991 -3.963 1.00 0.79 N ATOM 1485 CA LEU A 130 -9.323 -1.182 -3.478 1.00 0.70 C ATOM 1486 C LEU A 130 -8.961 -0.154 -2.407 1.00 0.65 C ATOM 1487 O LEU A 130 -7.846 -0.162 -1.884 1.00 0.61 O ATOM 1488 CB LEU A 130 -8.315 -1.106 -4.630 1.00 0.73 C ATOM 1489 CG LEU A 130 -8.346 -2.287 -5.605 1.00 0.84 C ATOM 1490 CD1 LEU A 130 -7.319 -2.093 -6.709 1.00 1.36 C ATOM 1491 CD2 LEU A 130 -8.089 -3.596 -4.868 1.00 1.29 C ATOM 0 H LEU A 130 -10.894 -0.045 -4.282 1.00 0.79 H new ATOM 0 HA LEU A 130 -9.277 -2.175 -3.032 1.00 0.70 H new ATOM 0 HB2 LEU A 130 -8.497 -0.189 -5.190 1.00 0.73 H new ATOM 0 HB3 LEU A 130 -7.312 -1.029 -4.209 1.00 0.73 H new ATOM 0 HG LEU A 130 -9.337 -2.333 -6.057 1.00 0.84 H new ATOM 0 HD11 LEU A 130 -7.355 -2.941 -7.392 1.00 1.36 H new ATOM 0 HD12 LEU A 130 -7.541 -1.177 -7.256 1.00 1.36 H new ATOM 0 HD13 LEU A 130 -6.323 -2.022 -6.271 1.00 1.36 H new ATOM 0 HD21 LEU A 130 -8.115 -4.424 -5.577 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -7.110 -3.558 -4.390 1.00 1.29 H new ATOM 0 HD23 LEU A 130 -8.858 -3.744 -4.110 1.00 1.29 H new ATOM 1503 N VAL A 131 -9.905 0.709 -2.059 1.00 0.71 N ATOM 1504 CA VAL A 131 -9.654 1.749 -1.065 1.00 0.71 C ATOM 1505 C VAL A 131 -9.874 1.205 0.347 1.00 0.69 C ATOM 1506 O VAL A 131 -10.954 0.699 0.660 1.00 0.76 O ATOM 1507 CB VAL A 131 -10.566 2.974 -1.288 1.00 0.76 C ATOM 1508 CG1 VAL A 131 -10.227 4.091 -0.313 1.00 1.19 C ATOM 1509 CG2 VAL A 131 -10.466 3.467 -2.722 1.00 1.28 C ATOM 0 H VAL A 131 -10.848 0.712 -2.447 1.00 0.71 H new ATOM 0 HA VAL A 131 -8.616 2.063 -1.178 1.00 0.71 H new ATOM 0 HB VAL A 131 -11.595 2.664 -1.103 1.00 0.76 H new ATOM 0 HG11 VAL A 131 -10.884 4.942 -0.492 1.00 1.19 H new ATOM 0 HG12 VAL A 131 -10.363 3.736 0.709 1.00 1.19 H new ATOM 0 HG13 VAL A 131 -9.191 4.397 -0.456 1.00 1.19 H new ATOM 0 HG21 VAL A 131 -11.117 4.331 -2.856 1.00 1.28 H new ATOM 0 HG22 VAL A 131 -9.436 3.752 -2.938 1.00 1.28 H new ATOM 0 HG23 VAL A 131 -10.773 2.672 -3.402 1.00 1.28 H new ATOM 1519 N PRO A 132 -8.841 1.293 1.205 1.00 0.62 N ATOM 1520 CA PRO A 132 -8.917 0.834 2.597 1.00 0.65 C ATOM 1521 C PRO A 132 -10.059 1.495 3.364 1.00 0.77 C ATOM 1522 O PRO A 132 -10.187 2.721 3.368 1.00 0.81 O ATOM 1523 CB PRO A 132 -7.565 1.244 3.191 1.00 0.64 C ATOM 1524 CG PRO A 132 -6.656 1.366 2.019 1.00 0.64 C ATOM 1525 CD PRO A 132 -7.513 1.837 0.878 1.00 0.57 C ATOM 0 HA PRO A 132 -9.113 -0.236 2.659 1.00 0.65 H new ATOM 0 HB2 PRO A 132 -7.641 2.187 3.733 1.00 0.64 H new ATOM 0 HB3 PRO A 132 -7.201 0.498 3.898 1.00 0.64 H new ATOM 0 HG2 PRO A 132 -5.852 2.073 2.221 1.00 0.64 H new ATOM 0 HG3 PRO A 132 -6.188 0.409 1.787 1.00 0.64 H new ATOM 0 HD2 PRO A 132 -7.530 2.925 0.810 1.00 0.57 H new ATOM 0 HD3 PRO A 132 -7.150 1.463 -0.079 1.00 0.57 H new ATOM 1533 N PRO A 133 -10.898 0.685 4.035 1.00 0.88 N ATOM 1534 CA PRO A 133 -12.071 1.180 4.762 1.00 1.03 C ATOM 1535 C PRO A 133 -11.701 2.132 5.901 1.00 1.04 C ATOM 1536 O PRO A 133 -12.532 2.906 6.373 1.00 1.13 O ATOM 1537 CB PRO A 133 -12.726 -0.088 5.323 1.00 1.17 C ATOM 1538 CG PRO A 133 -12.154 -1.212 4.532 1.00 1.03 C ATOM 1539 CD PRO A 133 -10.772 -0.778 4.135 1.00 0.93 C ATOM 0 HA PRO A 133 -12.725 1.757 4.108 1.00 1.03 H new ATOM 0 HB2 PRO A 133 -12.510 -0.205 6.385 1.00 1.17 H new ATOM 0 HB3 PRO A 133 -13.810 -0.048 5.221 1.00 1.17 H new ATOM 0 HG2 PRO A 133 -12.121 -2.127 5.123 1.00 1.03 H new ATOM 0 HG3 PRO A 133 -12.765 -1.421 3.654 1.00 1.03 H new ATOM 0 HD2 PRO A 133 -10.029 -1.069 4.878 1.00 0.93 H new ATOM 0 HD3 PRO A 133 -10.466 -1.222 3.188 1.00 0.93 H new ATOM 1547 N SER A 134 -10.449 2.077 6.320 1.00 1.02 N ATOM 1548 CA SER A 134 -9.959 2.912 7.404 1.00 1.09 C ATOM 1549 C SER A 134 -9.704 4.347 6.942 1.00 1.09 C ATOM 1550 O SER A 134 -9.684 5.273 7.755 1.00 1.22 O ATOM 1551 CB SER A 134 -8.679 2.299 7.964 1.00 1.14 C ATOM 1552 OG SER A 134 -7.819 1.909 6.906 1.00 1.60 O ATOM 0 H SER A 134 -9.746 1.455 5.921 1.00 1.02 H new ATOM 0 HA SER A 134 -10.722 2.955 8.181 1.00 1.09 H new ATOM 0 HB2 SER A 134 -8.173 3.019 8.607 1.00 1.14 H new ATOM 0 HB3 SER A 134 -8.921 1.435 8.583 1.00 1.14 H new ATOM 0 HG SER A 134 -8.023 0.988 6.641 1.00 1.60 H new ATOM 1558 N LYS A 135 -9.522 4.538 5.640 1.00 0.99 N ATOM 1559 CA LYS A 135 -9.167 5.852 5.113 1.00 1.02 C ATOM 1560 C LYS A 135 -10.254 6.407 4.206 1.00 1.11 C ATOM 1561 O LYS A 135 -10.115 7.506 3.670 1.00 1.21 O ATOM 1562 CB LYS A 135 -7.856 5.774 4.333 1.00 0.89 C ATOM 1563 CG LYS A 135 -6.670 5.343 5.166 1.00 0.90 C ATOM 1564 CD LYS A 135 -5.419 5.227 4.316 1.00 0.67 C ATOM 1565 CE LYS A 135 -4.247 4.707 5.128 1.00 0.66 C ATOM 1566 NZ LYS A 135 -3.835 5.654 6.202 1.00 1.15 N ATOM 0 H LYS A 135 -9.613 3.807 4.935 1.00 0.99 H new ATOM 0 HA LYS A 135 -9.053 6.522 5.965 1.00 1.02 H new ATOM 0 HB2 LYS A 135 -7.979 5.076 3.505 1.00 0.89 H new ATOM 0 HB3 LYS A 135 -7.645 6.751 3.898 1.00 0.89 H new ATOM 0 HG2 LYS A 135 -6.504 6.063 5.967 1.00 0.90 H new ATOM 0 HG3 LYS A 135 -6.883 4.384 5.638 1.00 0.90 H new ATOM 0 HD2 LYS A 135 -5.608 4.558 3.476 1.00 0.67 H new ATOM 0 HD3 LYS A 135 -5.170 6.202 3.897 1.00 0.67 H new ATOM 0 HE2 LYS A 135 -4.515 3.749 5.575 1.00 0.66 H new ATOM 0 HE3 LYS A 135 -3.402 4.524 4.465 1.00 0.66 H new ATOM 0 HZ1 LYS A 135 -2.902 5.378 6.570 1.00 1.15 H new ATOM 0 HZ2 LYS A 135 -3.783 6.617 5.814 1.00 1.15 H new ATOM 0 HZ3 LYS A 135 -4.532 5.629 6.973 1.00 1.15 H new ATOM 1760 N GLY B 149 7.824 9.998 -1.850 1.00 0.48 N ATOM 1761 CA GLY B 149 8.032 8.844 -1.006 1.00 0.35 C ATOM 1762 C GLY B 149 9.500 8.508 -0.868 1.00 0.33 C ATOM 1763 O GLY B 149 10.355 9.264 -1.326 1.00 0.39 O ATOM 0 HA2 GLY B 149 7.608 9.033 -0.020 1.00 0.35 H new ATOM 0 HA3 GLY B 149 7.501 7.988 -1.422 1.00 0.35 H new ATOM 1767 N PRO B 150 9.823 7.373 -0.240 1.00 0.28 N ATOM 1768 CA PRO B 150 11.205 6.938 -0.049 1.00 0.29 C ATOM 1769 C PRO B 150 11.779 6.265 -1.295 1.00 0.30 C ATOM 1770 O PRO B 150 12.925 5.814 -1.296 1.00 0.33 O ATOM 1771 CB PRO B 150 11.087 5.943 1.104 1.00 0.29 C ATOM 1772 CG PRO B 150 9.732 5.343 0.943 1.00 0.26 C ATOM 1773 CD PRO B 150 8.860 6.422 0.352 1.00 0.26 C ATOM 0 HA PRO B 150 11.882 7.769 0.151 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.866 5.183 1.053 1.00 0.29 H new ATOM 0 HB3 PRO B 150 11.189 6.440 2.069 1.00 0.29 H new ATOM 0 HG2 PRO B 150 9.768 4.471 0.290 1.00 0.26 H new ATOM 0 HG3 PRO B 150 9.339 5.007 1.903 1.00 0.26 H new ATOM 0 HD2 PRO B 150 8.182 6.020 -0.401 1.00 0.26 H new ATOM 0 HD3 PRO B 150 8.244 6.900 1.114 1.00 0.26 H new ATOM 1781 N PHE B 151 10.961 6.160 -2.340 1.00 0.31 N ATOM 1782 CA PHE B 151 11.372 5.491 -3.570 1.00 0.36 C ATOM 1783 C PHE B 151 11.766 6.474 -4.667 1.00 0.51 C ATOM 1784 O PHE B 151 12.816 6.310 -5.291 1.00 0.75 O ATOM 1785 CB PHE B 151 10.257 4.580 -4.092 1.00 0.34 C ATOM 1786 CG PHE B 151 10.059 3.341 -3.268 1.00 0.29 C ATOM 1787 CD1 PHE B 151 11.035 2.361 -3.215 1.00 0.32 C ATOM 1788 CD2 PHE B 151 8.887 3.158 -2.552 1.00 0.34 C ATOM 1789 CE1 PHE B 151 10.845 1.219 -2.462 1.00 0.39 C ATOM 1790 CE2 PHE B 151 8.690 2.019 -1.800 1.00 0.40 C ATOM 1791 CZ PHE B 151 9.719 1.058 -1.730 1.00 0.41 C ATOM 0 H PHE B 151 10.011 6.530 -2.359 1.00 0.31 H new ATOM 0 HA PHE B 151 12.250 4.897 -3.316 1.00 0.36 H new ATOM 0 HB2 PHE B 151 9.323 5.141 -4.119 1.00 0.34 H new ATOM 0 HB3 PHE B 151 10.485 4.291 -5.118 1.00 0.34 H new ATOM 0 HD1 PHE B 151 11.954 2.491 -3.768 1.00 0.32 H new ATOM 0 HD2 PHE B 151 8.119 3.916 -2.583 1.00 0.34 H new ATOM 0 HE1 PHE B 151 11.602 0.448 -2.458 1.00 0.39 H new ATOM 0 HE2 PHE B 151 7.760 1.865 -1.272 1.00 0.40 H new ATOM 0 HZ PHE B 151 9.608 0.194 -1.092 1.00 0.41 H new