USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 730 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 58 CYS SG : rot -62:sc= -1.28! USER MOD Set 1.2: A 76 CYS SG : rot -167:sc= -1.76! USER MOD Set 1.3: A 77 SER OG : rot -22:sc= 0.356 USER MOD Set 1.4: A 80 SER OG : rot -8:sc= -4.44! USER MOD Set 2.1: A 37 MET CE :methyl 146:sc= 0 (180deg=-1.6) USER MOD Set 2.2: A 64 HIS : no HD1:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.04) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 35:sc= 0.792 USER MOD Single : A 22 HIS : no HE2:sc= 0.978 K(o=0.98,f=-6.2!) USER MOD Single : A 28 TYR OH : rot -135:sc= 0.892 USER MOD Single : A 29 LYS NZ :NH3+ -132:sc= 0.0164 (180deg=-0.636) USER MOD Single : A 30 MET CE :methyl -157:sc= -0.177 (180deg=-0.853) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 33 ASN : amide:sc= -0.165 K(o=-0.16,f=-1) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -0.0741 (180deg=-0.384) USER MOD Single : A 41 HIS : no HD1:sc= -0.511 X(o=-0.51,f=-0.63) USER MOD Single : A 42 THR OG1 : rot 119:sc= -0.0299 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00624 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0.213 (180deg=-0.15) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS :FLIP no HE2:sc= 0.18 F(o=-0.65,f=0.18) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.103 K(o=0.1,f=-2.1) USER MOD Single : A 69 SER OG : rot -47:sc= 0.467 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 73:sc= 1.08 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 170:sc= 0.605 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot -46:sc= 0.239 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 96 SER OG : rot 39:sc= 0.16 USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 6 11.616 1.423 -8.691 1.00 0.66 N ATOM 74 CA PRO A 6 11.614 0.575 -7.495 1.00 0.47 C ATOM 75 C PRO A 6 11.322 -0.884 -7.824 1.00 0.48 C ATOM 76 O PRO A 6 10.627 -1.188 -8.799 1.00 0.62 O ATOM 77 CB PRO A 6 10.490 1.153 -6.630 1.00 0.59 C ATOM 78 CG PRO A 6 10.224 2.510 -7.183 1.00 0.87 C ATOM 79 CD PRO A 6 10.540 2.426 -8.648 1.00 0.84 C ATOM 0 HA PRO A 6 12.587 0.577 -7.004 1.00 0.47 H new ATOM 0 HB2 PRO A 6 9.598 0.528 -6.676 1.00 0.59 H new ATOM 0 HB3 PRO A 6 10.788 1.207 -5.583 1.00 0.59 H new ATOM 0 HG2 PRO A 6 9.186 2.800 -7.023 1.00 0.87 H new ATOM 0 HG3 PRO A 6 10.844 3.260 -6.692 1.00 0.87 H new ATOM 0 HD2 PRO A 6 9.674 2.115 -9.232 1.00 0.84 H new ATOM 0 HD3 PRO A 6 10.866 3.386 -9.048 1.00 0.84 H new ATOM 87 N LYS A 7 11.835 -1.780 -7.001 1.00 0.45 N ATOM 88 CA LYS A 7 11.658 -3.200 -7.214 1.00 0.52 C ATOM 89 C LYS A 7 10.973 -3.801 -6.005 1.00 0.42 C ATOM 90 O LYS A 7 11.623 -4.260 -5.067 1.00 0.42 O ATOM 91 CB LYS A 7 13.005 -3.882 -7.454 1.00 0.65 C ATOM 92 CG LYS A 7 12.968 -4.936 -8.544 1.00 1.24 C ATOM 93 CD LYS A 7 12.623 -4.325 -9.894 1.00 1.37 C ATOM 94 CE LYS A 7 13.614 -3.235 -10.284 1.00 1.70 C ATOM 95 NZ LYS A 7 13.324 -2.679 -11.630 1.00 2.49 N ATOM 0 H LYS A 7 12.382 -1.544 -6.173 1.00 0.45 H new ATOM 0 HA LYS A 7 11.040 -3.355 -8.098 1.00 0.52 H new ATOM 0 HB2 LYS A 7 13.744 -3.125 -7.717 1.00 0.65 H new ATOM 0 HB3 LYS A 7 13.339 -4.344 -6.525 1.00 0.65 H new ATOM 0 HG2 LYS A 7 13.936 -5.433 -8.605 1.00 1.24 H new ATOM 0 HG3 LYS A 7 12.233 -5.699 -8.290 1.00 1.24 H new ATOM 0 HD2 LYS A 7 12.619 -5.104 -10.657 1.00 1.37 H new ATOM 0 HD3 LYS A 7 11.617 -3.908 -9.859 1.00 1.37 H new ATOM 0 HE2 LYS A 7 13.582 -2.434 -9.546 1.00 1.70 H new ATOM 0 HE3 LYS A 7 14.625 -3.642 -10.269 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 14.020 -1.941 -11.858 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 13.380 -3.438 -12.339 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 12.369 -2.268 -11.637 1.00 2.49 H new ATOM 109 N ILE A 8 9.657 -3.770 -6.018 1.00 0.41 N ATOM 110 CA ILE A 8 8.892 -4.165 -4.856 1.00 0.34 C ATOM 111 C ILE A 8 8.578 -5.654 -4.907 1.00 0.36 C ATOM 112 O ILE A 8 7.954 -6.139 -5.855 1.00 0.48 O ATOM 113 CB ILE A 8 7.586 -3.354 -4.743 1.00 0.45 C ATOM 114 CG1 ILE A 8 7.863 -1.863 -4.974 1.00 0.72 C ATOM 115 CG2 ILE A 8 6.952 -3.569 -3.376 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.736 -1.223 -3.916 1.00 0.39 C ATOM 0 H ILE A 8 9.097 -3.476 -6.818 1.00 0.41 H new ATOM 0 HA ILE A 8 9.498 -3.959 -3.974 1.00 0.34 H new ATOM 0 HB ILE A 8 6.892 -3.700 -5.509 1.00 0.45 H new ATOM 0 HG12 ILE A 8 8.340 -1.740 -5.946 1.00 0.72 H new ATOM 0 HG13 ILE A 8 6.913 -1.331 -5.016 1.00 0.72 H new ATOM 0 HG21 ILE A 8 6.030 -2.991 -3.308 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.728 -4.627 -3.241 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.643 -3.243 -2.599 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.883 -0.170 -4.154 1.00 0.39 H new ATOM 0 HD12 ILE A 8 8.252 -1.311 -2.943 1.00 0.39 H new ATOM 0 HD13 ILE A 8 9.702 -1.727 -3.888 1.00 0.39 H new ATOM 128 N VAL A 9 9.020 -6.369 -3.886 1.00 0.31 N ATOM 129 CA VAL A 9 8.877 -7.813 -3.830 1.00 0.36 C ATOM 130 C VAL A 9 7.849 -8.198 -2.783 1.00 0.34 C ATOM 131 O VAL A 9 7.848 -7.663 -1.680 1.00 0.47 O ATOM 132 CB VAL A 9 10.218 -8.491 -3.490 1.00 0.41 C ATOM 133 CG1 VAL A 9 10.110 -10.004 -3.604 1.00 0.89 C ATOM 134 CG2 VAL A 9 11.311 -7.953 -4.389 1.00 0.86 C ATOM 0 H VAL A 9 9.487 -5.965 -3.074 1.00 0.31 H new ATOM 0 HA VAL A 9 8.549 -8.152 -4.813 1.00 0.36 H new ATOM 0 HB VAL A 9 10.473 -8.259 -2.456 1.00 0.41 H new ATOM 0 HG11 VAL A 9 11.071 -10.457 -3.359 1.00 0.89 H new ATOM 0 HG12 VAL A 9 9.350 -10.368 -2.912 1.00 0.89 H new ATOM 0 HG13 VAL A 9 9.832 -10.273 -4.623 1.00 0.89 H new ATOM 0 HG21 VAL A 9 12.256 -8.437 -4.143 1.00 0.86 H new ATOM 0 HG22 VAL A 9 11.059 -8.157 -5.430 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.406 -6.877 -4.243 1.00 0.86 H new ATOM 144 N TRP A 10 6.972 -9.112 -3.129 1.00 0.33 N ATOM 145 CA TRP A 10 5.957 -9.556 -2.200 1.00 0.31 C ATOM 146 C TRP A 10 6.546 -10.540 -1.195 1.00 0.34 C ATOM 147 O TRP A 10 6.912 -11.666 -1.541 1.00 0.42 O ATOM 148 CB TRP A 10 4.788 -10.173 -2.963 1.00 0.38 C ATOM 149 CG TRP A 10 3.692 -10.685 -2.079 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.248 -10.132 -0.911 1.00 0.40 C ATOM 151 CD2 TRP A 10 2.893 -11.850 -2.301 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.230 -10.889 -0.389 1.00 0.46 N ATOM 153 CE2 TRP A 10 1.990 -11.947 -1.226 1.00 0.52 C ATOM 154 CE3 TRP A 10 2.851 -12.822 -3.306 1.00 0.60 C ATOM 155 CZ2 TRP A 10 1.060 -12.977 -1.123 1.00 0.62 C ATOM 156 CZ3 TRP A 10 1.926 -13.844 -3.204 1.00 0.71 C ATOM 157 CH2 TRP A 10 1.041 -13.914 -2.118 1.00 0.72 C ATOM 0 H TRP A 10 6.940 -9.562 -4.044 1.00 0.33 H new ATOM 0 HA TRP A 10 5.584 -8.698 -1.641 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.376 -9.427 -3.642 1.00 0.38 H new ATOM 0 HB3 TRP A 10 5.160 -10.993 -3.577 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.641 -9.231 -0.464 1.00 0.40 H new ATOM 0 HE1 TRP A 10 1.733 -10.696 0.480 1.00 0.46 H new ATOM 0 HE3 TRP A 10 3.528 -12.775 -4.146 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 0.378 -13.034 -0.287 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 1.884 -14.601 -3.973 1.00 0.71 H new ATOM 0 HH2 TRP A 10 0.330 -14.725 -2.067 1.00 0.72 H new ATOM 168 N ASN A 11 6.655 -10.096 0.046 1.00 0.34 N ATOM 169 CA ASN A 11 7.130 -10.939 1.122 1.00 0.43 C ATOM 170 C ASN A 11 5.931 -11.660 1.718 1.00 0.45 C ATOM 171 O ASN A 11 5.392 -11.266 2.755 1.00 0.46 O ATOM 172 CB ASN A 11 7.860 -10.100 2.181 1.00 0.47 C ATOM 173 CG ASN A 11 8.753 -10.927 3.089 1.00 0.63 C ATOM 174 OD1 ASN A 11 9.921 -11.166 2.779 1.00 1.39 O ATOM 175 ND2 ASN A 11 8.222 -11.347 4.225 1.00 1.08 N ATOM 0 H ASN A 11 6.417 -9.146 0.331 1.00 0.34 H new ATOM 0 HA ASN A 11 7.846 -11.670 0.745 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.463 -9.342 1.682 1.00 0.47 H new ATOM 0 HB3 ASN A 11 7.124 -9.573 2.788 1.00 0.47 H new ATOM 0 HD21 ASN A 11 8.784 -11.890 4.881 1.00 1.08 H new ATOM 0 HD22 ASN A 11 7.250 -11.128 4.445 1.00 1.08 H new ATOM 182 N GLU A 12 5.496 -12.686 1.000 1.00 0.53 N ATOM 183 CA GLU A 12 4.288 -13.445 1.315 1.00 0.59 C ATOM 184 C GLU A 12 4.299 -14.004 2.733 1.00 0.62 C ATOM 185 O GLU A 12 3.251 -14.114 3.365 1.00 0.65 O ATOM 186 CB GLU A 12 4.095 -14.574 0.295 1.00 0.76 C ATOM 187 CG GLU A 12 5.358 -14.950 -0.475 1.00 1.09 C ATOM 188 CD GLU A 12 6.430 -15.588 0.392 1.00 1.43 C ATOM 189 OE1 GLU A 12 7.178 -14.847 1.064 1.00 1.92 O ATOM 190 OE2 GLU A 12 6.534 -16.831 0.395 1.00 1.71 O ATOM 0 H GLU A 12 5.979 -13.022 0.167 1.00 0.53 H new ATOM 0 HA GLU A 12 3.448 -12.753 1.256 1.00 0.59 H new ATOM 0 HB2 GLU A 12 3.724 -15.457 0.815 1.00 0.76 H new ATOM 0 HB3 GLU A 12 3.325 -14.277 -0.417 1.00 0.76 H new ATOM 0 HG2 GLU A 12 5.093 -15.639 -1.277 1.00 1.09 H new ATOM 0 HG3 GLU A 12 5.767 -14.056 -0.945 1.00 1.09 H new ATOM 197 N GLY A 13 5.486 -14.335 3.232 1.00 0.65 N ATOM 198 CA GLY A 13 5.616 -14.819 4.597 1.00 0.73 C ATOM 199 C GLY A 13 5.074 -13.834 5.620 1.00 0.70 C ATOM 200 O GLY A 13 4.757 -14.209 6.747 1.00 0.80 O ATOM 0 H GLY A 13 6.363 -14.277 2.715 1.00 0.65 H new ATOM 0 HA2 GLY A 13 5.087 -15.767 4.695 1.00 0.73 H new ATOM 0 HA3 GLY A 13 6.666 -15.017 4.810 1.00 0.73 H new ATOM 204 N LYS A 14 4.960 -12.573 5.224 1.00 0.59 N ATOM 205 CA LYS A 14 4.411 -11.539 6.096 1.00 0.59 C ATOM 206 C LYS A 14 3.225 -10.856 5.428 1.00 0.51 C ATOM 207 O LYS A 14 2.665 -9.905 5.970 1.00 0.55 O ATOM 208 CB LYS A 14 5.475 -10.490 6.430 1.00 0.61 C ATOM 209 CG LYS A 14 6.690 -11.045 7.150 1.00 0.86 C ATOM 210 CD LYS A 14 6.307 -11.765 8.434 1.00 1.21 C ATOM 211 CE LYS A 14 7.501 -12.472 9.053 1.00 1.26 C ATOM 212 NZ LYS A 14 7.110 -13.280 10.236 1.00 1.79 N ATOM 0 H LYS A 14 5.241 -12.239 4.302 1.00 0.59 H new ATOM 0 HA LYS A 14 4.082 -12.018 7.018 1.00 0.59 H new ATOM 0 HB2 LYS A 14 5.801 -10.012 5.506 1.00 0.61 H new ATOM 0 HB3 LYS A 14 5.023 -9.714 7.048 1.00 0.61 H new ATOM 0 HG2 LYS A 14 7.219 -11.734 6.491 1.00 0.86 H new ATOM 0 HG3 LYS A 14 7.378 -10.232 7.381 1.00 0.86 H new ATOM 0 HD2 LYS A 14 5.898 -11.048 9.146 1.00 1.21 H new ATOM 0 HD3 LYS A 14 5.521 -12.491 8.225 1.00 1.21 H new ATOM 0 HE2 LYS A 14 7.967 -13.118 8.309 1.00 1.26 H new ATOM 0 HE3 LYS A 14 8.248 -11.735 9.347 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 7.951 -13.747 10.631 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 6.688 -12.659 10.956 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 6.416 -14.000 9.951 1.00 1.79 H new ATOM 226 N ARG A 15 2.852 -11.362 4.251 1.00 0.45 N ATOM 227 CA ARG A 15 1.800 -10.761 3.430 1.00 0.44 C ATOM 228 C ARG A 15 2.050 -9.270 3.236 1.00 0.37 C ATOM 229 O ARG A 15 1.139 -8.454 3.342 1.00 0.52 O ATOM 230 CB ARG A 15 0.422 -11.007 4.055 1.00 0.56 C ATOM 231 CG ARG A 15 0.085 -12.484 4.159 1.00 0.66 C ATOM 232 CD ARG A 15 -1.308 -12.730 4.720 1.00 0.87 C ATOM 233 NE ARG A 15 -1.634 -14.157 4.709 1.00 1.83 N ATOM 234 CZ ARG A 15 -2.627 -14.715 5.405 1.00 2.36 C ATOM 235 NH1 ARG A 15 -3.417 -13.968 6.169 1.00 2.32 N ATOM 236 NH2 ARG A 15 -2.833 -16.023 5.327 1.00 3.42 N ATOM 0 H ARG A 15 3.270 -12.198 3.841 1.00 0.45 H new ATOM 0 HA ARG A 15 1.819 -11.236 2.449 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.393 -10.560 5.049 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.339 -10.505 3.457 1.00 0.56 H new ATOM 0 HG2 ARG A 15 0.161 -12.940 3.172 1.00 0.66 H new ATOM 0 HG3 ARG A 15 0.821 -12.977 4.795 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -1.366 -12.348 5.739 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -2.043 -12.181 4.131 1.00 0.87 H new ATOM 0 HE ARG A 15 -1.061 -14.769 4.128 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -3.267 -12.961 6.227 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -4.174 -14.402 6.698 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -2.233 -16.599 4.736 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -3.591 -16.452 5.858 1.00 3.42 H new ATOM 250 N ARG A 16 3.293 -8.927 2.922 1.00 0.27 N ATOM 251 CA ARG A 16 3.681 -7.532 2.787 1.00 0.24 C ATOM 252 C ARG A 16 4.525 -7.331 1.536 1.00 0.23 C ATOM 253 O ARG A 16 5.182 -8.257 1.080 1.00 0.29 O ATOM 254 CB ARG A 16 4.453 -7.084 4.036 1.00 0.33 C ATOM 255 CG ARG A 16 5.901 -7.544 4.094 1.00 0.55 C ATOM 256 CD ARG A 16 6.560 -7.074 5.382 1.00 0.68 C ATOM 257 NE ARG A 16 7.996 -7.341 5.408 1.00 0.91 N ATOM 258 CZ ARG A 16 8.720 -7.417 6.523 1.00 1.02 C ATOM 259 NH1 ARG A 16 8.140 -7.278 7.712 1.00 1.02 N ATOM 260 NH2 ARG A 16 10.023 -7.630 6.440 1.00 1.86 N ATOM 0 H ARG A 16 4.046 -9.595 2.757 1.00 0.27 H new ATOM 0 HA ARG A 16 2.782 -6.923 2.691 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.431 -5.995 4.088 1.00 0.33 H new ATOM 0 HB3 ARG A 16 3.933 -7.456 4.919 1.00 0.33 H new ATOM 0 HG2 ARG A 16 5.946 -8.631 4.032 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.447 -7.153 3.236 1.00 0.55 H new ATOM 0 HD2 ARG A 16 6.391 -6.004 5.503 1.00 0.68 H new ATOM 0 HD3 ARG A 16 6.087 -7.569 6.230 1.00 0.68 H new ATOM 0 HE ARG A 16 8.474 -7.478 4.517 1.00 0.91 H new ATOM 0 HH11 ARG A 16 7.135 -7.112 7.773 1.00 1.02 H new ATOM 0 HH12 ARG A 16 8.700 -7.337 8.563 1.00 1.02 H new ATOM 0 HH21 ARG A 16 10.466 -7.735 5.527 1.00 1.86 H new ATOM 0 HH22 ARG A 16 10.585 -7.690 7.289 1.00 1.86 H new ATOM 274 N PHE A 17 4.497 -6.132 0.977 1.00 0.23 N ATOM 275 CA PHE A 17 5.328 -5.815 -0.178 1.00 0.24 C ATOM 276 C PHE A 17 6.563 -5.058 0.275 1.00 0.30 C ATOM 277 O PHE A 17 6.463 -4.007 0.901 1.00 0.55 O ATOM 278 CB PHE A 17 4.559 -4.995 -1.215 1.00 0.28 C ATOM 279 CG PHE A 17 3.336 -5.687 -1.748 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.450 -6.841 -2.505 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.073 -5.185 -1.486 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.325 -7.479 -2.990 1.00 0.39 C ATOM 283 CE2 PHE A 17 0.945 -5.819 -1.969 1.00 0.40 C ATOM 284 CZ PHE A 17 1.081 -6.965 -2.745 1.00 0.41 C ATOM 0 H PHE A 17 3.911 -5.363 1.301 1.00 0.23 H new ATOM 0 HA PHE A 17 5.625 -6.751 -0.651 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.263 -4.046 -0.768 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.224 -4.761 -2.046 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.428 -7.246 -2.718 1.00 0.33 H new ATOM 0 HD2 PHE A 17 1.968 -4.286 -0.896 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.428 -8.387 -3.565 1.00 0.39 H new ATOM 0 HE2 PHE A 17 -0.036 -5.427 -1.745 1.00 0.40 H new ATOM 0 HZ PHE A 17 0.206 -7.448 -3.154 1.00 0.41 H new ATOM 294 N GLU A 18 7.715 -5.607 -0.050 1.00 0.22 N ATOM 295 CA GLU A 18 8.990 -5.091 0.408 1.00 0.25 C ATOM 296 C GLU A 18 9.738 -4.451 -0.744 1.00 0.29 C ATOM 297 O GLU A 18 9.884 -5.049 -1.804 1.00 0.39 O ATOM 298 CB GLU A 18 9.803 -6.247 0.991 1.00 0.34 C ATOM 299 CG GLU A 18 10.639 -5.889 2.206 1.00 1.08 C ATOM 300 CD GLU A 18 11.136 -7.127 2.925 1.00 0.96 C ATOM 301 OE1 GLU A 18 12.219 -7.630 2.565 1.00 0.85 O ATOM 302 OE2 GLU A 18 10.464 -7.592 3.868 1.00 1.16 O ATOM 0 H GLU A 18 7.794 -6.432 -0.645 1.00 0.22 H new ATOM 0 HA GLU A 18 8.829 -4.331 1.173 1.00 0.25 H new ATOM 0 HB2 GLU A 18 9.120 -7.052 1.262 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.463 -6.636 0.215 1.00 0.34 H new ATOM 0 HG2 GLU A 18 11.489 -5.281 1.897 1.00 1.08 H new ATOM 0 HG3 GLU A 18 10.046 -5.283 2.891 1.00 1.08 H new ATOM 309 N THR A 19 10.190 -3.230 -0.540 1.00 0.25 N ATOM 310 CA THR A 19 10.987 -2.538 -1.541 1.00 0.29 C ATOM 311 C THR A 19 12.316 -3.274 -1.733 1.00 0.35 C ATOM 312 O THR A 19 12.680 -4.133 -0.924 1.00 0.37 O ATOM 313 CB THR A 19 11.237 -1.069 -1.104 1.00 0.33 C ATOM 314 OG1 THR A 19 12.063 -0.364 -2.042 1.00 0.46 O ATOM 315 CG2 THR A 19 11.894 -1.029 0.254 1.00 0.37 C ATOM 0 H THR A 19 10.020 -2.693 0.310 1.00 0.25 H new ATOM 0 HA THR A 19 10.447 -2.526 -2.488 1.00 0.29 H new ATOM 0 HB THR A 19 10.264 -0.579 -1.064 1.00 0.33 H new ATOM 0 HG1 THR A 19 11.869 -0.678 -2.950 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.063 0.007 0.546 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.246 -1.512 0.986 1.00 0.37 H new ATOM 0 HG23 THR A 19 12.848 -1.554 0.212 1.00 0.37 H new ATOM 323 N GLU A 20 13.043 -2.934 -2.792 1.00 0.43 N ATOM 324 CA GLU A 20 14.373 -3.488 -3.034 1.00 0.53 C ATOM 325 C GLU A 20 15.321 -3.056 -1.930 1.00 0.56 C ATOM 326 O GLU A 20 16.448 -3.538 -1.813 1.00 0.68 O ATOM 327 CB GLU A 20 14.907 -3.015 -4.386 1.00 0.62 C ATOM 328 CG GLU A 20 15.151 -1.514 -4.454 1.00 0.77 C ATOM 329 CD GLU A 20 13.974 -0.749 -5.018 1.00 1.31 C ATOM 330 OE1 GLU A 20 12.852 -0.941 -4.510 1.00 1.90 O ATOM 331 OE2 GLU A 20 14.165 0.056 -5.958 1.00 1.83 O ATOM 0 H GLU A 20 12.731 -2.272 -3.503 1.00 0.43 H new ATOM 0 HA GLU A 20 14.302 -4.576 -3.044 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.840 -3.536 -4.601 1.00 0.62 H new ATOM 0 HB3 GLU A 20 14.198 -3.295 -5.165 1.00 0.62 H new ATOM 0 HG2 GLU A 20 15.374 -1.142 -3.454 1.00 0.77 H new ATOM 0 HG3 GLU A 20 16.030 -1.322 -5.069 1.00 0.77 H new ATOM 338 N ASP A 21 14.825 -2.150 -1.120 1.00 0.52 N ATOM 339 CA ASP A 21 15.568 -1.591 -0.019 1.00 0.60 C ATOM 340 C ASP A 21 15.350 -2.442 1.231 1.00 0.54 C ATOM 341 O ASP A 21 16.184 -2.462 2.133 1.00 0.59 O ATOM 342 CB ASP A 21 15.124 -0.129 0.140 1.00 0.67 C ATOM 343 CG ASP A 21 15.326 0.459 1.517 1.00 0.97 C ATOM 344 OD1 ASP A 21 14.622 0.033 2.458 1.00 1.31 O ATOM 345 OD2 ASP A 21 16.246 1.280 1.672 1.00 1.39 O ATOM 0 H ASP A 21 13.880 -1.776 -1.210 1.00 0.52 H new ATOM 0 HA ASP A 21 16.643 -1.599 -0.198 1.00 0.60 H new ATOM 0 HB2 ASP A 21 15.669 0.480 -0.581 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.067 -0.057 -0.117 1.00 0.67 H new ATOM 350 N HIS A 22 14.240 -3.189 1.228 1.00 0.45 N ATOM 351 CA HIS A 22 13.905 -4.168 2.272 1.00 0.45 C ATOM 352 C HIS A 22 13.612 -3.540 3.636 1.00 0.44 C ATOM 353 O HIS A 22 13.085 -4.212 4.523 1.00 0.51 O ATOM 354 CB HIS A 22 15.006 -5.224 2.407 1.00 0.57 C ATOM 355 CG HIS A 22 15.089 -6.151 1.236 1.00 0.64 C ATOM 356 ND1 HIS A 22 14.270 -7.246 1.091 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.893 -6.142 0.148 1.00 0.74 C ATOM 358 CE1 HIS A 22 14.564 -7.874 -0.029 1.00 0.76 C ATOM 359 NE2 HIS A 22 15.547 -7.225 -0.624 1.00 0.82 N ATOM 0 H HIS A 22 13.538 -3.131 0.490 1.00 0.45 H new ATOM 0 HA HIS A 22 12.980 -4.642 1.942 1.00 0.45 H new ATOM 0 HB2 HIS A 22 15.966 -4.723 2.533 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.830 -5.807 3.311 1.00 0.57 H new ATOM 0 HD1 HIS A 22 13.545 -7.529 1.750 1.00 0.65 H new ATOM 0 HD2 HIS A 22 16.664 -5.418 -0.073 1.00 0.74 H new ATOM 0 HE1 HIS A 22 14.083 -8.768 -0.398 1.00 0.76 H new ATOM 368 N GLU A 23 13.939 -2.271 3.810 1.00 0.47 N ATOM 369 CA GLU A 23 13.668 -1.593 5.066 1.00 0.52 C ATOM 370 C GLU A 23 12.318 -0.894 4.991 1.00 0.40 C ATOM 371 O GLU A 23 11.742 -0.501 6.009 1.00 0.49 O ATOM 372 CB GLU A 23 14.788 -0.600 5.386 1.00 0.69 C ATOM 373 CG GLU A 23 16.180 -1.196 5.220 1.00 0.84 C ATOM 374 CD GLU A 23 17.260 -0.372 5.887 1.00 1.51 C ATOM 375 OE1 GLU A 23 17.043 0.088 7.030 1.00 1.72 O ATOM 376 OE2 GLU A 23 18.348 -0.219 5.297 1.00 2.28 O ATOM 0 H GLU A 23 14.390 -1.692 3.102 1.00 0.47 H new ATOM 0 HA GLU A 23 13.632 -2.326 5.872 1.00 0.52 H new ATOM 0 HB2 GLU A 23 14.692 0.269 4.736 1.00 0.69 H new ATOM 0 HB3 GLU A 23 14.670 -0.246 6.410 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.190 -2.203 5.637 1.00 0.84 H new ATOM 0 HG3 GLU A 23 16.405 -1.288 4.158 1.00 0.84 H new ATOM 383 N ALA A 24 11.822 -0.748 3.770 1.00 0.29 N ATOM 384 CA ALA A 24 10.490 -0.216 3.533 1.00 0.22 C ATOM 385 C ALA A 24 9.559 -1.316 3.057 1.00 0.17 C ATOM 386 O ALA A 24 9.951 -2.176 2.263 1.00 0.19 O ATOM 387 CB ALA A 24 10.532 0.914 2.516 1.00 0.26 C ATOM 0 H ALA A 24 12.330 -0.994 2.920 1.00 0.29 H new ATOM 0 HA ALA A 24 10.111 0.183 4.474 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.524 1.296 2.355 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.169 1.716 2.889 1.00 0.26 H new ATOM 0 HB3 ALA A 24 10.933 0.541 1.574 1.00 0.26 H new ATOM 393 N PHE A 25 8.332 -1.293 3.539 1.00 0.14 N ATOM 394 CA PHE A 25 7.353 -2.292 3.159 1.00 0.15 C ATOM 395 C PHE A 25 5.944 -1.833 3.477 1.00 0.15 C ATOM 396 O PHE A 25 5.738 -0.900 4.257 1.00 0.17 O ATOM 397 CB PHE A 25 7.626 -3.630 3.859 1.00 0.23 C ATOM 398 CG PHE A 25 7.747 -3.534 5.356 1.00 0.30 C ATOM 399 CD1 PHE A 25 6.619 -3.578 6.159 1.00 0.39 C ATOM 400 CD2 PHE A 25 8.989 -3.388 5.957 1.00 0.37 C ATOM 401 CE1 PHE A 25 6.726 -3.481 7.532 1.00 0.49 C ATOM 402 CE2 PHE A 25 9.102 -3.292 7.330 1.00 0.47 C ATOM 403 CZ PHE A 25 7.972 -3.376 8.121 1.00 0.52 C ATOM 0 H PHE A 25 7.989 -0.592 4.196 1.00 0.14 H new ATOM 0 HA PHE A 25 7.442 -2.431 2.082 1.00 0.15 H new ATOM 0 HB2 PHE A 25 6.822 -4.325 3.615 1.00 0.23 H new ATOM 0 HB3 PHE A 25 8.547 -4.055 3.459 1.00 0.23 H new ATOM 0 HD1 PHE A 25 5.645 -3.689 5.706 1.00 0.39 H new ATOM 0 HD2 PHE A 25 9.877 -3.349 5.344 1.00 0.37 H new ATOM 0 HE1 PHE A 25 5.837 -3.487 8.145 1.00 0.49 H new ATOM 0 HE2 PHE A 25 10.072 -3.152 7.785 1.00 0.47 H new ATOM 0 HZ PHE A 25 8.062 -3.360 9.197 1.00 0.52 H new ATOM 413 N ILE A 26 4.987 -2.487 2.849 1.00 0.20 N ATOM 414 CA ILE A 26 3.589 -2.285 3.153 1.00 0.23 C ATOM 415 C ILE A 26 2.978 -3.627 3.520 1.00 0.23 C ATOM 416 O ILE A 26 3.125 -4.608 2.788 1.00 0.26 O ATOM 417 CB ILE A 26 2.838 -1.610 1.971 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.098 -0.365 2.458 1.00 0.41 C ATOM 419 CG2 ILE A 26 1.868 -2.557 1.267 1.00 0.39 C ATOM 420 CD1 ILE A 26 0.903 -0.658 3.348 1.00 0.73 C ATOM 0 H ILE A 26 5.159 -3.173 2.114 1.00 0.20 H new ATOM 0 HA ILE A 26 3.494 -1.603 3.998 1.00 0.23 H new ATOM 0 HB ILE A 26 3.593 -1.326 1.238 1.00 0.31 H new ATOM 0 HG12 ILE A 26 2.797 0.269 3.004 1.00 0.41 H new ATOM 0 HG13 ILE A 26 1.761 0.205 1.592 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.373 -2.030 0.451 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.417 -3.410 0.868 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.121 -2.907 1.979 1.00 0.39 H new ATOM 0 HD11 ILE A 26 0.435 0.279 3.649 1.00 0.73 H new ATOM 0 HD12 ILE A 26 0.181 -1.264 2.800 1.00 0.73 H new ATOM 0 HD13 ILE A 26 1.234 -1.200 4.234 1.00 0.73 H new ATOM 432 N GLU A 27 2.355 -3.684 4.674 1.00 0.22 N ATOM 433 CA GLU A 27 1.771 -4.919 5.163 1.00 0.23 C ATOM 434 C GLU A 27 0.284 -4.918 4.841 1.00 0.22 C ATOM 435 O GLU A 27 -0.287 -3.856 4.609 1.00 0.27 O ATOM 436 CB GLU A 27 2.004 -5.013 6.675 1.00 0.26 C ATOM 437 CG GLU A 27 1.573 -6.321 7.307 1.00 0.65 C ATOM 438 CD GLU A 27 1.584 -6.246 8.816 1.00 1.14 C ATOM 439 OE1 GLU A 27 2.677 -6.143 9.410 1.00 1.23 O ATOM 440 OE2 GLU A 27 0.495 -6.276 9.419 1.00 1.65 O ATOM 0 H GLU A 27 2.237 -2.886 5.298 1.00 0.22 H new ATOM 0 HA GLU A 27 2.233 -5.783 4.685 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.065 -4.862 6.874 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.469 -4.197 7.162 1.00 0.26 H new ATOM 0 HG2 GLU A 27 0.571 -6.578 6.963 1.00 0.65 H new ATOM 0 HG3 GLU A 27 2.238 -7.120 6.978 1.00 0.65 H new ATOM 447 N TYR A 28 -0.350 -6.081 4.786 1.00 0.23 N ATOM 448 CA TYR A 28 -1.793 -6.106 4.630 1.00 0.22 C ATOM 449 C TYR A 28 -2.404 -7.369 5.201 1.00 0.28 C ATOM 450 O TYR A 28 -1.756 -8.410 5.302 1.00 0.45 O ATOM 451 CB TYR A 28 -2.220 -5.903 3.166 1.00 0.29 C ATOM 452 CG TYR A 28 -1.774 -6.973 2.193 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.456 -8.179 2.101 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.653 -6.792 1.393 1.00 0.40 C ATOM 455 CE1 TYR A 28 -2.032 -9.173 1.242 1.00 0.56 C ATOM 456 CE2 TYR A 28 -0.229 -7.778 0.526 1.00 0.50 C ATOM 457 CZ TYR A 28 -0.990 -8.905 0.357 1.00 0.60 C ATOM 458 OH TYR A 28 -0.490 -9.959 -0.394 1.00 0.70 O ATOM 0 H TYR A 28 0.099 -6.995 4.845 1.00 0.23 H new ATOM 0 HA TYR A 28 -2.178 -5.264 5.205 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -3.307 -5.838 3.131 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.832 -4.944 2.824 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.332 -8.342 2.711 1.00 0.44 H new ATOM 0 HD2 TYR A 28 -0.104 -5.864 1.451 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.502 -10.145 1.256 1.00 0.56 H new ATOM 0 HE2 TYR A 28 0.698 -7.662 -0.017 1.00 0.50 H new ATOM 0 HH TYR A 28 0.490 -9.930 -0.387 1.00 0.70 H new ATOM 468 N LYS A 29 -3.665 -7.247 5.577 1.00 0.24 N ATOM 469 CA LYS A 29 -4.390 -8.314 6.233 1.00 0.32 C ATOM 470 C LYS A 29 -5.700 -8.547 5.511 1.00 0.25 C ATOM 471 O LYS A 29 -6.474 -7.614 5.313 1.00 0.31 O ATOM 472 CB LYS A 29 -4.665 -7.920 7.680 1.00 0.49 C ATOM 473 CG LYS A 29 -3.435 -7.387 8.384 1.00 0.58 C ATOM 474 CD LYS A 29 -3.789 -6.622 9.641 1.00 0.74 C ATOM 475 CE LYS A 29 -2.552 -6.309 10.468 1.00 1.09 C ATOM 476 NZ LYS A 29 -1.834 -7.547 10.872 1.00 1.52 N ATOM 0 H LYS A 29 -4.215 -6.400 5.434 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.798 -9.229 6.213 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -5.449 -7.163 7.703 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -5.042 -8.787 8.223 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -2.775 -8.216 8.638 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -2.883 -6.736 7.706 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -4.294 -5.694 9.374 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -4.490 -7.205 10.238 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -1.881 -5.670 9.893 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -2.841 -5.749 11.357 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -1.617 -7.506 11.888 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -2.433 -8.375 10.679 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -0.949 -7.627 10.332 1.00 1.52 H new ATOM 490 N MET A 30 -5.949 -9.774 5.104 1.00 0.32 N ATOM 491 CA MET A 30 -7.176 -10.079 4.394 1.00 0.27 C ATOM 492 C MET A 30 -8.309 -10.313 5.388 1.00 0.30 C ATOM 493 O MET A 30 -8.428 -11.383 5.987 1.00 0.39 O ATOM 494 CB MET A 30 -6.982 -11.287 3.480 1.00 0.36 C ATOM 495 CG MET A 30 -5.932 -11.065 2.407 1.00 1.00 C ATOM 496 SD MET A 30 -5.658 -12.526 1.382 1.00 1.12 S ATOM 497 CE MET A 30 -5.108 -13.708 2.613 1.00 1.85 C ATOM 0 H MET A 30 -5.327 -10.569 5.250 1.00 0.32 H new ATOM 0 HA MET A 30 -7.443 -9.229 3.766 1.00 0.27 H new ATOM 0 HB2 MET A 30 -6.698 -12.149 4.084 1.00 0.36 H new ATOM 0 HB3 MET A 30 -7.932 -11.530 3.004 1.00 0.36 H new ATOM 0 HG2 MET A 30 -6.238 -10.234 1.772 1.00 1.00 H new ATOM 0 HG3 MET A 30 -4.993 -10.776 2.879 1.00 1.00 H new ATOM 0 HE1 MET A 30 -4.526 -14.493 2.130 1.00 1.85 H new ATOM 0 HE2 MET A 30 -4.489 -13.201 3.353 1.00 1.85 H new ATOM 0 HE3 MET A 30 -5.974 -14.150 3.106 1.00 1.85 H new ATOM 507 N ARG A 31 -9.120 -9.283 5.557 1.00 0.29 N ATOM 508 CA ARG A 31 -10.220 -9.283 6.504 1.00 0.39 C ATOM 509 C ARG A 31 -11.474 -9.830 5.852 1.00 0.42 C ATOM 510 O ARG A 31 -11.486 -10.096 4.648 1.00 0.38 O ATOM 511 CB ARG A 31 -10.491 -7.859 6.988 1.00 0.46 C ATOM 512 CG ARG A 31 -9.399 -7.289 7.876 1.00 0.67 C ATOM 513 CD ARG A 31 -9.559 -5.789 8.052 1.00 0.66 C ATOM 514 NE ARG A 31 -10.938 -5.409 8.365 1.00 0.98 N ATOM 515 CZ ARG A 31 -11.373 -4.150 8.405 1.00 1.28 C ATOM 516 NH1 ARG A 31 -10.537 -3.143 8.195 1.00 1.41 N ATOM 517 NH2 ARG A 31 -12.650 -3.893 8.658 1.00 2.03 N ATOM 0 H ARG A 31 -9.031 -8.412 5.033 1.00 0.29 H new ATOM 0 HA ARG A 31 -9.947 -9.914 7.350 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.616 -7.210 6.122 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.434 -7.846 7.535 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -9.428 -7.777 8.850 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.423 -7.504 7.440 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -8.900 -5.447 8.850 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -9.243 -5.283 7.140 1.00 0.66 H new ATOM 0 HE ARG A 31 -11.606 -6.153 8.565 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -9.553 -3.329 8.001 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -10.878 -2.182 8.227 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -13.302 -4.660 8.823 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -12.980 -2.928 8.688 1.00 2.03 H new ATOM 531 N ASN A 32 -12.525 -9.990 6.649 1.00 0.55 N ATOM 532 CA ASN A 32 -13.818 -10.442 6.145 1.00 0.64 C ATOM 533 C ASN A 32 -13.669 -11.824 5.517 1.00 0.65 C ATOM 534 O ASN A 32 -14.117 -12.065 4.398 1.00 0.66 O ATOM 535 CB ASN A 32 -14.360 -9.438 5.118 1.00 0.64 C ATOM 536 CG ASN A 32 -15.864 -9.526 4.937 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.374 -10.314 4.139 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.579 -8.691 5.669 1.00 0.99 N ATOM 0 H ASN A 32 -12.507 -9.812 7.653 1.00 0.55 H new ATOM 0 HA ASN A 32 -14.526 -10.507 6.971 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.096 -8.428 5.432 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.874 -9.611 4.158 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.596 -8.682 5.586 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -16.115 -8.055 6.318 1.00 0.99 H new ATOM 545 N ASN A 33 -12.997 -12.714 6.250 1.00 0.73 N ATOM 546 CA ASN A 33 -12.708 -14.083 5.796 1.00 0.83 C ATOM 547 C ASN A 33 -11.651 -14.087 4.684 1.00 0.78 C ATOM 548 O ASN A 33 -11.241 -15.145 4.201 1.00 1.04 O ATOM 549 CB ASN A 33 -13.990 -14.795 5.326 1.00 0.95 C ATOM 550 CG ASN A 33 -13.795 -16.286 5.107 1.00 1.62 C ATOM 551 OD1 ASN A 33 -12.973 -16.924 5.769 1.00 1.82 O ATOM 552 ND2 ASN A 33 -14.550 -16.854 4.179 1.00 2.33 N ATOM 0 H ASN A 33 -12.634 -12.508 7.181 1.00 0.73 H new ATOM 0 HA ASN A 33 -12.307 -14.633 6.647 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -14.776 -14.642 6.065 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -14.333 -14.339 4.397 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -14.463 -17.853 3.991 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -15.219 -16.293 3.652 1.00 2.33 H new ATOM 559 N GLY A 34 -11.198 -12.902 4.298 1.00 0.55 N ATOM 560 CA GLY A 34 -10.181 -12.789 3.270 1.00 0.52 C ATOM 561 C GLY A 34 -10.692 -12.112 2.013 1.00 0.48 C ATOM 562 O GLY A 34 -10.159 -12.327 0.926 1.00 0.62 O ATOM 0 H GLY A 34 -11.518 -12.012 4.680 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.334 -12.226 3.663 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -9.813 -13.784 3.018 1.00 0.52 H new ATOM 566 N LYS A 35 -11.721 -11.290 2.160 1.00 0.40 N ATOM 567 CA LYS A 35 -12.309 -10.587 1.023 1.00 0.40 C ATOM 568 C LYS A 35 -11.793 -9.153 0.942 1.00 0.28 C ATOM 569 O LYS A 35 -11.894 -8.500 -0.101 1.00 0.28 O ATOM 570 CB LYS A 35 -13.832 -10.570 1.144 1.00 0.52 C ATOM 571 CG LYS A 35 -14.452 -11.948 1.304 1.00 0.67 C ATOM 572 CD LYS A 35 -14.187 -12.834 0.100 1.00 0.85 C ATOM 573 CE LYS A 35 -14.785 -14.216 0.295 1.00 1.14 C ATOM 574 NZ LYS A 35 -16.244 -14.155 0.581 1.00 1.60 N ATOM 0 H LYS A 35 -12.168 -11.092 3.055 1.00 0.40 H new ATOM 0 HA LYS A 35 -12.020 -11.117 0.115 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.112 -9.955 1.999 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.252 -10.094 0.258 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -14.052 -12.424 2.199 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.527 -11.847 1.450 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -14.610 -12.374 -0.793 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -13.113 -12.919 -0.063 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -14.615 -14.814 -0.600 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -14.275 -14.719 1.116 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -16.659 -15.103 0.474 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -16.393 -13.820 1.554 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -16.701 -13.500 -0.085 1.00 1.60 H new ATOM 588 N VAL A 36 -11.257 -8.660 2.049 1.00 0.25 N ATOM 589 CA VAL A 36 -10.793 -7.284 2.121 1.00 0.19 C ATOM 590 C VAL A 36 -9.329 -7.222 2.529 1.00 0.16 C ATOM 591 O VAL A 36 -8.948 -7.739 3.563 1.00 0.22 O ATOM 592 CB VAL A 36 -11.646 -6.469 3.121 1.00 0.24 C ATOM 593 CG1 VAL A 36 -11.050 -5.091 3.355 1.00 0.31 C ATOM 594 CG2 VAL A 36 -13.075 -6.349 2.620 1.00 0.30 C ATOM 0 H VAL A 36 -11.133 -9.193 2.910 1.00 0.25 H new ATOM 0 HA VAL A 36 -10.898 -6.849 1.127 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.650 -7.000 4.073 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.671 -4.541 4.062 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -10.043 -5.194 3.760 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -11.008 -4.548 2.411 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.664 -5.773 3.334 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -13.081 -5.844 1.654 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.507 -7.344 2.512 1.00 0.30 H new ATOM 604 N MET A 37 -8.515 -6.577 1.720 1.00 0.15 N ATOM 605 CA MET A 37 -7.107 -6.417 2.032 1.00 0.18 C ATOM 606 C MET A 37 -6.876 -5.135 2.806 1.00 0.16 C ATOM 607 O MET A 37 -7.041 -4.041 2.276 1.00 0.17 O ATOM 608 CB MET A 37 -6.261 -6.419 0.756 1.00 0.24 C ATOM 609 CG MET A 37 -6.085 -7.803 0.152 1.00 0.51 C ATOM 610 SD MET A 37 -4.890 -7.835 -1.199 1.00 1.03 S ATOM 611 CE MET A 37 -4.887 -9.585 -1.576 1.00 1.66 C ATOM 0 H MET A 37 -8.804 -6.153 0.838 1.00 0.15 H new ATOM 0 HA MET A 37 -6.802 -7.261 2.650 1.00 0.18 H new ATOM 0 HB2 MET A 37 -6.727 -5.765 0.019 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.280 -6.000 0.979 1.00 0.24 H new ATOM 0 HG2 MET A 37 -5.764 -8.495 0.930 1.00 0.51 H new ATOM 0 HG3 MET A 37 -7.048 -8.159 -0.214 1.00 0.51 H new ATOM 0 HE1 MET A 37 -4.739 -9.726 -2.647 1.00 1.66 H new ATOM 0 HE2 MET A 37 -4.080 -10.073 -1.030 1.00 1.66 H new ATOM 0 HE3 MET A 37 -5.841 -10.022 -1.281 1.00 1.66 H new ATOM 621 N ASP A 38 -6.517 -5.270 4.068 1.00 0.17 N ATOM 622 CA ASP A 38 -6.233 -4.114 4.895 1.00 0.18 C ATOM 623 C ASP A 38 -4.785 -3.716 4.724 1.00 0.18 C ATOM 624 O ASP A 38 -3.894 -4.386 5.228 1.00 0.20 O ATOM 625 CB ASP A 38 -6.514 -4.432 6.362 1.00 0.24 C ATOM 626 CG ASP A 38 -6.825 -3.198 7.189 1.00 0.32 C ATOM 627 OD1 ASP A 38 -6.020 -2.249 7.190 1.00 0.97 O ATOM 628 OD2 ASP A 38 -7.887 -3.173 7.848 1.00 0.81 O ATOM 0 H ASP A 38 -6.415 -6.167 4.542 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.875 -3.289 4.587 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.354 -5.124 6.423 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.650 -4.940 6.790 1.00 0.24 H new ATOM 633 N LEU A 39 -4.567 -2.624 4.018 1.00 0.18 N ATOM 634 CA LEU A 39 -3.224 -2.139 3.738 1.00 0.19 C ATOM 635 C LEU A 39 -2.667 -1.466 4.972 1.00 0.20 C ATOM 636 O LEU A 39 -2.841 -0.272 5.170 1.00 0.28 O ATOM 637 CB LEU A 39 -3.238 -1.169 2.550 1.00 0.20 C ATOM 638 CG LEU A 39 -3.249 -1.816 1.166 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.187 -3.011 1.099 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.618 -0.787 0.110 1.00 0.22 C ATOM 0 H LEU A 39 -5.310 -2.048 3.623 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.586 -2.982 3.473 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -4.115 -0.528 2.638 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.363 -0.523 2.622 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.243 -2.187 0.969 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.161 -3.438 0.096 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -3.870 -3.763 1.822 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.203 -2.690 1.331 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.623 -1.259 -0.872 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.608 -0.385 0.324 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.888 0.022 0.120 1.00 0.22 H new ATOM 652 N VAL A 40 -2.000 -2.245 5.795 1.00 0.17 N ATOM 653 CA VAL A 40 -1.585 -1.805 7.105 1.00 0.20 C ATOM 654 C VAL A 40 -0.107 -1.467 7.119 1.00 0.18 C ATOM 655 O VAL A 40 0.723 -2.300 6.774 1.00 0.23 O ATOM 656 CB VAL A 40 -1.844 -2.903 8.163 1.00 0.29 C ATOM 657 CG1 VAL A 40 -1.407 -2.445 9.541 1.00 0.84 C ATOM 658 CG2 VAL A 40 -3.305 -3.311 8.179 1.00 0.88 C ATOM 0 H VAL A 40 -1.730 -3.203 5.572 1.00 0.17 H new ATOM 0 HA VAL A 40 -2.168 -0.916 7.346 1.00 0.20 H new ATOM 0 HB VAL A 40 -1.249 -3.774 7.887 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.600 -3.236 10.266 1.00 0.84 H new ATOM 0 HG12 VAL A 40 -0.341 -2.218 9.528 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.965 -1.552 9.821 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -3.459 -4.084 8.932 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.922 -2.445 8.417 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -3.586 -3.698 7.199 1.00 0.88 H new ATOM 668 N HIS A 41 0.213 -0.232 7.469 1.00 0.16 N ATOM 669 CA HIS A 41 1.573 0.121 7.853 1.00 0.17 C ATOM 670 C HIS A 41 2.461 0.284 6.637 1.00 0.14 C ATOM 671 O HIS A 41 3.128 -0.650 6.197 1.00 0.17 O ATOM 672 CB HIS A 41 2.149 -0.931 8.821 1.00 0.22 C ATOM 673 CG HIS A 41 3.535 -0.659 9.345 1.00 0.42 C ATOM 674 ND1 HIS A 41 4.248 -1.608 10.042 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.335 0.439 9.291 1.00 0.56 C ATOM 676 CE1 HIS A 41 5.415 -1.113 10.398 1.00 1.03 C ATOM 677 NE2 HIS A 41 5.497 0.128 9.957 1.00 0.67 N ATOM 0 H HIS A 41 -0.449 0.544 7.496 1.00 0.16 H new ATOM 0 HA HIS A 41 1.542 1.081 8.368 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.473 -1.023 9.671 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.157 -1.896 8.314 1.00 0.22 H new ATOM 0 HD2 HIS A 41 4.101 1.379 8.814 1.00 0.56 H new ATOM 0 HE1 HIS A 41 6.177 -1.635 10.957 1.00 1.03 H new ATOM 0 HE2 HIS A 41 6.292 0.754 10.089 1.00 0.67 H new ATOM 686 N THR A 42 2.427 1.474 6.086 1.00 0.16 N ATOM 687 CA THR A 42 3.378 1.864 5.076 1.00 0.16 C ATOM 688 C THR A 42 4.577 2.484 5.772 1.00 0.20 C ATOM 689 O THR A 42 4.423 3.396 6.588 1.00 0.31 O ATOM 690 CB THR A 42 2.763 2.873 4.079 1.00 0.20 C ATOM 691 OG1 THR A 42 3.755 3.322 3.155 1.00 0.22 O ATOM 692 CG2 THR A 42 2.156 4.068 4.806 1.00 0.31 C ATOM 0 H THR A 42 1.744 2.194 6.324 1.00 0.16 H new ATOM 0 HA THR A 42 3.676 0.985 4.504 1.00 0.16 H new ATOM 0 HB THR A 42 1.968 2.363 3.535 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.489 3.075 2.244 1.00 0.22 H new ATOM 0 HG21 THR A 42 1.732 4.760 4.078 1.00 0.31 H new ATOM 0 HG22 THR A 42 1.371 3.724 5.480 1.00 0.31 H new ATOM 0 HG23 THR A 42 2.930 4.576 5.381 1.00 0.31 H new ATOM 700 N TYR A 43 5.759 1.964 5.522 1.00 0.22 N ATOM 701 CA TYR A 43 6.933 2.546 6.122 1.00 0.29 C ATOM 702 C TYR A 43 8.088 2.555 5.151 1.00 0.27 C ATOM 703 O TYR A 43 8.186 1.698 4.277 1.00 0.37 O ATOM 704 CB TYR A 43 7.323 1.824 7.408 1.00 0.45 C ATOM 705 CG TYR A 43 8.042 2.738 8.368 1.00 0.74 C ATOM 706 CD1 TYR A 43 7.381 3.757 9.042 1.00 1.15 C ATOM 707 CD2 TYR A 43 9.393 2.553 8.623 1.00 0.94 C ATOM 708 CE1 TYR A 43 8.052 4.565 9.943 1.00 1.53 C ATOM 709 CE2 TYR A 43 10.069 3.356 9.514 1.00 1.34 C ATOM 710 CZ TYR A 43 9.339 4.484 10.098 1.00 1.58 C ATOM 711 OH TYR A 43 10.069 5.155 11.075 1.00 2.02 O ATOM 0 H TYR A 43 5.929 1.158 4.921 1.00 0.22 H new ATOM 0 HA TYR A 43 6.689 3.577 6.379 1.00 0.29 H new ATOM 0 HB2 TYR A 43 6.428 1.426 7.887 1.00 0.45 H new ATOM 0 HB3 TYR A 43 7.962 0.974 7.168 1.00 0.45 H new ATOM 0 HD1 TYR A 43 6.329 3.921 8.860 1.00 1.15 H new ATOM 0 HD2 TYR A 43 9.925 1.764 8.113 1.00 0.94 H new ATOM 0 HE1 TYR A 43 7.493 5.279 10.530 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.099 3.162 9.773 1.00 1.34 H new ATOM 0 HH TYR A 43 11.019 4.930 10.986 1.00 2.02 H new ATOM 721 N VAL A 44 8.946 3.537 5.320 1.00 0.25 N ATOM 722 CA VAL A 44 10.101 3.720 4.466 1.00 0.28 C ATOM 723 C VAL A 44 11.228 4.365 5.282 1.00 0.34 C ATOM 724 O VAL A 44 10.973 5.271 6.079 1.00 0.36 O ATOM 725 CB VAL A 44 9.740 4.596 3.238 1.00 0.33 C ATOM 726 CG1 VAL A 44 9.292 5.988 3.659 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.899 4.677 2.264 1.00 0.60 C ATOM 0 H VAL A 44 8.862 4.236 6.058 1.00 0.25 H new ATOM 0 HA VAL A 44 10.434 2.751 4.094 1.00 0.28 H new ATOM 0 HB VAL A 44 8.903 4.116 2.731 1.00 0.33 H new ATOM 0 HG11 VAL A 44 9.047 6.575 2.774 1.00 0.71 H new ATOM 0 HG12 VAL A 44 8.412 5.909 4.297 1.00 0.71 H new ATOM 0 HG13 VAL A 44 10.096 6.478 4.208 1.00 0.71 H new ATOM 0 HG21 VAL A 44 10.617 5.297 1.413 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.763 5.116 2.763 1.00 0.60 H new ATOM 0 HG23 VAL A 44 11.151 3.676 1.915 1.00 0.60 H new ATOM 737 N PRO A 45 12.473 3.878 5.140 1.00 0.41 N ATOM 738 CA PRO A 45 13.621 4.423 5.875 1.00 0.48 C ATOM 739 C PRO A 45 13.959 5.852 5.454 1.00 0.51 C ATOM 740 O PRO A 45 13.388 6.387 4.497 1.00 0.50 O ATOM 741 CB PRO A 45 14.768 3.475 5.511 1.00 0.61 C ATOM 742 CG PRO A 45 14.361 2.870 4.217 1.00 0.79 C ATOM 743 CD PRO A 45 12.864 2.749 4.279 1.00 0.48 C ATOM 0 HA PRO A 45 13.423 4.481 6.945 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.712 4.013 5.417 1.00 0.61 H new ATOM 0 HB3 PRO A 45 14.910 2.713 6.277 1.00 0.61 H new ATOM 0 HG2 PRO A 45 14.669 3.494 3.378 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.827 1.895 4.077 1.00 0.79 H new ATOM 0 HD2 PRO A 45 12.412 2.821 3.290 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.554 1.793 4.702 1.00 0.48 H new ATOM 751 N SER A 46 14.919 6.449 6.155 1.00 0.63 N ATOM 752 CA SER A 46 15.312 7.838 5.934 1.00 0.77 C ATOM 753 C SER A 46 15.802 8.080 4.502 1.00 0.80 C ATOM 754 O SER A 46 15.835 9.215 4.030 1.00 0.94 O ATOM 755 CB SER A 46 16.407 8.211 6.928 1.00 0.91 C ATOM 756 OG SER A 46 16.063 7.775 8.235 1.00 1.39 O ATOM 0 H SER A 46 15.447 5.983 6.893 1.00 0.63 H new ATOM 0 HA SER A 46 14.433 8.465 6.084 1.00 0.77 H new ATOM 0 HB2 SER A 46 17.351 7.759 6.624 1.00 0.91 H new ATOM 0 HB3 SER A 46 16.556 9.291 6.926 1.00 0.91 H new ATOM 0 HG SER A 46 16.777 8.021 8.860 1.00 1.39 H new ATOM 762 N PHE A 47 16.161 7.003 3.813 1.00 0.75 N ATOM 763 CA PHE A 47 16.685 7.092 2.456 1.00 0.80 C ATOM 764 C PHE A 47 15.621 7.576 1.470 1.00 0.73 C ATOM 765 O PHE A 47 15.937 8.205 0.465 1.00 0.82 O ATOM 766 CB PHE A 47 17.210 5.724 2.007 1.00 0.83 C ATOM 767 CG PHE A 47 18.307 5.169 2.874 1.00 1.39 C ATOM 768 CD1 PHE A 47 19.635 5.474 2.621 1.00 1.61 C ATOM 769 CD2 PHE A 47 18.008 4.335 3.940 1.00 2.13 C ATOM 770 CE1 PHE A 47 20.642 4.958 3.416 1.00 2.39 C ATOM 771 CE2 PHE A 47 19.010 3.818 4.736 1.00 3.04 C ATOM 772 CZ PHE A 47 20.329 4.129 4.474 1.00 3.12 C ATOM 0 H PHE A 47 16.098 6.052 4.175 1.00 0.75 H new ATOM 0 HA PHE A 47 17.498 7.818 2.464 1.00 0.80 H new ATOM 0 HB2 PHE A 47 16.381 5.016 1.992 1.00 0.83 H new ATOM 0 HB3 PHE A 47 17.577 5.806 0.984 1.00 0.83 H new ATOM 0 HD1 PHE A 47 19.886 6.122 1.794 1.00 1.61 H new ATOM 0 HD2 PHE A 47 16.978 4.087 4.150 1.00 2.13 H new ATOM 0 HE1 PHE A 47 21.673 5.204 3.209 1.00 2.39 H new ATOM 0 HE2 PHE A 47 18.762 3.170 5.564 1.00 3.04 H new ATOM 0 HZ PHE A 47 21.114 3.725 5.095 1.00 3.12 H new ATOM 782 N LYS A 48 14.356 7.282 1.762 1.00 0.61 N ATOM 783 CA LYS A 48 13.267 7.595 0.836 1.00 0.60 C ATOM 784 C LYS A 48 12.059 8.168 1.573 1.00 0.64 C ATOM 785 O LYS A 48 10.913 7.956 1.164 1.00 0.78 O ATOM 786 CB LYS A 48 12.859 6.334 0.062 1.00 0.55 C ATOM 787 CG LYS A 48 13.910 5.842 -0.920 1.00 0.76 C ATOM 788 CD LYS A 48 13.633 4.421 -1.383 1.00 0.81 C ATOM 789 CE LYS A 48 13.980 3.400 -0.307 1.00 0.97 C ATOM 790 NZ LYS A 48 15.444 3.343 -0.036 1.00 1.19 N ATOM 0 H LYS A 48 14.059 6.830 2.627 1.00 0.61 H new ATOM 0 HA LYS A 48 13.625 8.350 0.137 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.641 5.538 0.774 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.936 6.537 -0.481 1.00 0.55 H new ATOM 0 HG2 LYS A 48 13.939 6.506 -1.784 1.00 0.76 H new ATOM 0 HG3 LYS A 48 14.893 5.886 -0.452 1.00 0.76 H new ATOM 0 HD2 LYS A 48 12.581 4.324 -1.651 1.00 0.81 H new ATOM 0 HD3 LYS A 48 14.212 4.212 -2.283 1.00 0.81 H new ATOM 0 HE2 LYS A 48 13.451 3.650 0.613 1.00 0.97 H new ATOM 0 HE3 LYS A 48 13.631 2.415 -0.617 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 15.622 2.725 0.781 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 15.937 2.965 -0.870 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.796 4.299 0.170 1.00 1.19 H new ATOM 804 N ARG A 49 12.320 8.911 2.643 1.00 0.73 N ATOM 805 CA ARG A 49 11.253 9.501 3.449 1.00 0.84 C ATOM 806 C ARG A 49 10.415 10.481 2.638 1.00 0.91 C ATOM 807 O ARG A 49 10.915 11.504 2.172 1.00 1.75 O ATOM 808 CB ARG A 49 11.824 10.214 4.675 1.00 1.03 C ATOM 809 CG ARG A 49 12.262 9.275 5.786 1.00 1.35 C ATOM 810 CD ARG A 49 11.086 8.509 6.375 1.00 1.45 C ATOM 811 NE ARG A 49 10.029 9.403 6.842 1.00 1.92 N ATOM 812 CZ ARG A 49 9.452 9.322 8.039 1.00 2.48 C ATOM 813 NH1 ARG A 49 9.833 8.395 8.912 1.00 2.70 N ATOM 814 NH2 ARG A 49 8.492 10.178 8.363 1.00 3.23 N ATOM 0 H ARG A 49 13.262 9.120 2.974 1.00 0.73 H new ATOM 0 HA ARG A 49 10.612 8.683 3.776 1.00 0.84 H new ATOM 0 HB2 ARG A 49 12.677 10.819 4.367 1.00 1.03 H new ATOM 0 HB3 ARG A 49 11.072 10.899 5.067 1.00 1.03 H new ATOM 0 HG2 ARG A 49 12.997 8.570 5.397 1.00 1.35 H new ATOM 0 HG3 ARG A 49 12.754 9.847 6.573 1.00 1.35 H new ATOM 0 HD2 ARG A 49 10.682 7.831 5.623 1.00 1.45 H new ATOM 0 HD3 ARG A 49 11.433 7.894 7.205 1.00 1.45 H new ATOM 0 HE ARG A 49 9.712 10.138 6.209 1.00 1.92 H new ATOM 0 HH11 ARG A 49 10.574 7.738 8.667 1.00 2.70 H new ATOM 0 HH12 ARG A 49 9.385 8.341 9.827 1.00 2.70 H new ATOM 0 HH21 ARG A 49 8.200 10.893 7.697 1.00 3.23 H new ATOM 0 HH22 ARG A 49 8.046 10.121 9.278 1.00 3.23 H new ATOM 828 N GLY A 50 9.142 10.146 2.462 1.00 1.00 N ATOM 829 CA GLY A 50 8.221 11.026 1.764 1.00 1.07 C ATOM 830 C GLY A 50 8.587 11.226 0.309 1.00 0.98 C ATOM 831 O GLY A 50 8.188 12.213 -0.304 1.00 1.12 O ATOM 0 H GLY A 50 8.728 9.274 2.793 1.00 1.00 H new ATOM 0 HA2 GLY A 50 7.214 10.614 1.827 1.00 1.07 H new ATOM 0 HA3 GLY A 50 8.201 11.994 2.265 1.00 1.07 H new ATOM 835 N LEU A 51 9.352 10.291 -0.240 1.00 0.81 N ATOM 836 CA LEU A 51 9.766 10.365 -1.633 1.00 0.81 C ATOM 837 C LEU A 51 8.660 9.839 -2.539 1.00 0.71 C ATOM 838 O LEU A 51 8.603 10.163 -3.723 1.00 0.88 O ATOM 839 CB LEU A 51 11.044 9.549 -1.850 1.00 0.82 C ATOM 840 CG LEU A 51 11.712 9.718 -3.218 1.00 1.11 C ATOM 841 CD1 LEU A 51 12.137 11.166 -3.429 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.903 8.779 -3.345 1.00 1.95 C ATOM 0 H LEU A 51 9.698 9.472 0.260 1.00 0.81 H new ATOM 0 HA LEU A 51 9.964 11.408 -1.881 1.00 0.81 H new ATOM 0 HB2 LEU A 51 11.763 9.822 -1.078 1.00 0.82 H new ATOM 0 HB3 LEU A 51 10.809 8.494 -1.708 1.00 0.82 H new ATOM 0 HG LEU A 51 10.990 9.461 -3.993 1.00 1.11 H new ATOM 0 HD11 LEU A 51 12.610 11.268 -4.406 1.00 1.46 H new ATOM 0 HD12 LEU A 51 11.261 11.813 -3.381 1.00 1.46 H new ATOM 0 HD13 LEU A 51 12.845 11.454 -2.652 1.00 1.46 H new ATOM 0 HD21 LEU A 51 13.367 8.911 -4.322 1.00 1.95 H new ATOM 0 HD22 LEU A 51 13.630 9.005 -2.565 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.566 7.748 -3.239 1.00 1.95 H new ATOM 854 N GLY A 52 7.779 9.028 -1.971 1.00 0.52 N ATOM 855 CA GLY A 52 6.735 8.418 -2.762 1.00 0.43 C ATOM 856 C GLY A 52 6.731 6.911 -2.634 1.00 0.32 C ATOM 857 O GLY A 52 5.696 6.269 -2.808 1.00 0.28 O ATOM 0 H GLY A 52 7.770 8.784 -0.981 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.767 8.811 -2.449 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.867 8.692 -3.809 1.00 0.43 H new ATOM 861 N LEU A 53 7.901 6.350 -2.334 1.00 0.31 N ATOM 862 CA LEU A 53 8.075 4.901 -2.249 1.00 0.27 C ATOM 863 C LEU A 53 7.053 4.282 -1.295 1.00 0.20 C ATOM 864 O LEU A 53 6.442 3.263 -1.613 1.00 0.20 O ATOM 865 CB LEU A 53 9.515 4.575 -1.806 1.00 0.29 C ATOM 866 CG LEU A 53 9.936 3.098 -1.892 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.430 2.307 -0.699 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.424 2.479 -3.179 1.00 0.67 C ATOM 0 H LEU A 53 8.750 6.883 -2.144 1.00 0.31 H new ATOM 0 HA LEU A 53 7.905 4.468 -3.235 1.00 0.27 H new ATOM 0 HB2 LEU A 53 10.202 5.163 -2.415 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.639 4.907 -0.775 1.00 0.29 H new ATOM 0 HG LEU A 53 11.025 3.062 -1.884 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.745 1.268 -0.791 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.840 2.730 0.218 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.342 2.355 -0.666 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.729 1.434 -3.227 1.00 0.67 H new ATOM 0 HD22 LEU A 53 8.336 2.541 -3.205 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.838 3.017 -4.032 1.00 0.67 H new ATOM 880 N ALA A 54 6.858 4.914 -0.143 1.00 0.19 N ATOM 881 CA ALA A 54 5.905 4.431 0.855 1.00 0.17 C ATOM 882 C ALA A 54 4.509 4.249 0.252 1.00 0.15 C ATOM 883 O ALA A 54 3.864 3.213 0.439 1.00 0.15 O ATOM 884 CB ALA A 54 5.857 5.392 2.035 1.00 0.24 C ATOM 0 H ALA A 54 7.349 5.767 0.126 1.00 0.19 H new ATOM 0 HA ALA A 54 6.242 3.455 1.204 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.145 5.025 2.774 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.846 5.462 2.488 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.546 6.378 1.689 1.00 0.24 H new ATOM 890 N SER A 55 4.052 5.257 -0.473 1.00 0.17 N ATOM 891 CA SER A 55 2.759 5.203 -1.133 1.00 0.21 C ATOM 892 C SER A 55 2.768 4.191 -2.279 1.00 0.21 C ATOM 893 O SER A 55 1.751 3.562 -2.560 1.00 0.25 O ATOM 894 CB SER A 55 2.395 6.591 -1.653 1.00 0.28 C ATOM 895 OG SER A 55 2.657 7.580 -0.671 1.00 1.08 O ATOM 0 H SER A 55 4.562 6.128 -0.620 1.00 0.17 H new ATOM 0 HA SER A 55 2.011 4.879 -0.409 1.00 0.21 H new ATOM 0 HB2 SER A 55 2.966 6.808 -2.556 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.341 6.616 -1.929 1.00 0.28 H new ATOM 0 HG SER A 55 2.419 8.463 -1.024 1.00 1.08 H new ATOM 901 N HIS A 56 3.920 4.032 -2.932 1.00 0.21 N ATOM 902 CA HIS A 56 4.070 3.038 -3.996 1.00 0.23 C ATOM 903 C HIS A 56 3.856 1.636 -3.449 1.00 0.20 C ATOM 904 O HIS A 56 3.340 0.758 -4.140 1.00 0.23 O ATOM 905 CB HIS A 56 5.447 3.132 -4.659 1.00 0.29 C ATOM 906 CG HIS A 56 5.513 4.114 -5.789 1.00 0.45 C ATOM 907 ND1 HIS A 56 5.592 5.465 -5.792 1.00 0.79 N flip ATOM 908 CD2 HIS A 56 5.518 3.730 -7.111 1.00 0.70 C flip ATOM 909 CE1 HIS A 56 5.646 5.869 -7.101 1.00 0.99 C flip ATOM 910 NE2 HIS A 56 5.599 4.802 -7.878 1.00 0.93 N flip ATOM 0 H HIS A 56 4.761 4.577 -2.744 1.00 0.21 H new ATOM 0 HA HIS A 56 3.312 3.248 -4.751 1.00 0.23 H new ATOM 0 HB2 HIS A 56 6.184 3.411 -3.905 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.728 2.147 -5.030 1.00 0.29 H new ATOM 0 HD1 HIS A 56 5.608 6.071 -4.972 1.00 0.79 H new ATOM 0 HD2 HIS A 56 5.464 2.711 -7.465 1.00 0.70 H new ATOM 0 HE1 HIS A 56 5.716 6.892 -7.441 1.00 0.99 H new ATOM 919 N LEU A 57 4.248 1.442 -2.199 1.00 0.15 N ATOM 920 CA LEU A 57 4.022 0.179 -1.517 1.00 0.13 C ATOM 921 C LEU A 57 2.524 -0.068 -1.394 1.00 0.13 C ATOM 922 O LEU A 57 2.032 -1.167 -1.657 1.00 0.15 O ATOM 923 CB LEU A 57 4.668 0.205 -0.131 1.00 0.14 C ATOM 924 CG LEU A 57 6.179 0.448 -0.120 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.661 0.752 1.290 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.921 -0.753 -0.688 1.00 0.22 C ATOM 0 H LEU A 57 4.725 2.146 -1.636 1.00 0.15 H new ATOM 0 HA LEU A 57 4.474 -0.628 -2.094 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.187 0.983 0.462 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.465 -0.745 0.364 1.00 0.14 H new ATOM 0 HG LEU A 57 6.390 1.311 -0.751 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.738 0.922 1.278 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.157 1.644 1.662 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.434 -0.092 1.942 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.994 -0.559 -0.671 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.702 -1.634 -0.085 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.600 -0.927 -1.715 1.00 0.22 H new ATOM 938 N CYS A 58 1.799 0.978 -1.010 1.00 0.16 N ATOM 939 CA CYS A 58 0.346 0.901 -0.911 1.00 0.19 C ATOM 940 C CYS A 58 -0.278 0.634 -2.282 1.00 0.19 C ATOM 941 O CYS A 58 -1.237 -0.133 -2.400 1.00 0.20 O ATOM 942 CB CYS A 58 -0.214 2.194 -0.327 1.00 0.23 C ATOM 943 SG CYS A 58 -2.009 2.203 -0.140 1.00 0.27 S ATOM 0 H CYS A 58 2.192 1.886 -0.763 1.00 0.16 H new ATOM 0 HA CYS A 58 0.094 0.073 -0.248 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.243 2.367 0.647 1.00 0.23 H new ATOM 0 HB3 CYS A 58 0.078 3.026 -0.968 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.568 2.085 -1.308 1.00 0.27 H new ATOM 949 N VAL A 59 0.273 1.273 -3.309 1.00 0.19 N ATOM 950 CA VAL A 59 -0.188 1.079 -4.682 1.00 0.22 C ATOM 951 C VAL A 59 -0.038 -0.380 -5.093 1.00 0.20 C ATOM 952 O VAL A 59 -0.901 -0.938 -5.772 1.00 0.22 O ATOM 953 CB VAL A 59 0.594 1.972 -5.671 1.00 0.25 C ATOM 954 CG1 VAL A 59 0.225 1.658 -7.113 1.00 0.29 C ATOM 955 CG2 VAL A 59 0.347 3.437 -5.372 1.00 0.29 C ATOM 0 H VAL A 59 1.044 1.934 -3.217 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.240 1.362 -4.716 1.00 0.22 H new ATOM 0 HB VAL A 59 1.655 1.760 -5.542 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.793 2.304 -7.783 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.458 0.616 -7.330 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -0.841 1.829 -7.261 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.905 4.052 -6.078 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -0.717 3.653 -5.466 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.675 3.662 -4.357 1.00 0.29 H new ATOM 965 N ALA A 60 1.052 -0.996 -4.660 1.00 0.18 N ATOM 966 CA ALA A 60 1.318 -2.390 -4.974 1.00 0.21 C ATOM 967 C ALA A 60 0.202 -3.292 -4.457 1.00 0.17 C ATOM 968 O ALA A 60 -0.146 -4.287 -5.094 1.00 0.17 O ATOM 969 CB ALA A 60 2.659 -2.817 -4.406 1.00 0.28 C ATOM 0 H ALA A 60 1.769 -0.549 -4.088 1.00 0.18 H new ATOM 0 HA ALA A 60 1.354 -2.491 -6.059 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.841 -3.863 -4.651 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.449 -2.201 -4.836 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.651 -2.694 -3.323 1.00 0.28 H new ATOM 975 N ALA A 61 -0.374 -2.941 -3.307 1.00 0.16 N ATOM 976 CA ALA A 61 -1.471 -3.718 -2.762 1.00 0.16 C ATOM 977 C ALA A 61 -2.744 -3.475 -3.564 1.00 0.14 C ATOM 978 O ALA A 61 -3.521 -4.399 -3.801 1.00 0.15 O ATOM 979 CB ALA A 61 -1.674 -3.393 -1.296 1.00 0.20 C ATOM 0 H ALA A 61 -0.099 -2.134 -2.747 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.223 -4.777 -2.838 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.501 -3.985 -0.903 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.765 -3.627 -0.742 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -1.903 -2.333 -1.187 1.00 0.20 H new ATOM 985 N PHE A 62 -2.937 -2.233 -4.002 1.00 0.14 N ATOM 986 CA PHE A 62 -4.073 -1.887 -4.849 1.00 0.15 C ATOM 987 C PHE A 62 -4.030 -2.677 -6.148 1.00 0.15 C ATOM 988 O PHE A 62 -5.008 -3.323 -6.522 1.00 0.16 O ATOM 989 CB PHE A 62 -4.092 -0.393 -5.175 1.00 0.17 C ATOM 990 CG PHE A 62 -4.509 0.496 -4.037 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.659 0.225 -3.310 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.741 1.589 -3.683 1.00 0.20 C ATOM 993 CE1 PHE A 62 -6.031 1.032 -2.250 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.108 2.402 -2.630 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.308 2.155 -1.957 1.00 0.24 C ATOM 0 H PHE A 62 -2.321 -1.450 -3.784 1.00 0.14 H new ATOM 0 HA PHE A 62 -4.978 -2.138 -4.295 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -3.097 -0.095 -5.504 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.768 -0.227 -6.014 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.270 -0.625 -3.574 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.841 1.810 -4.238 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -6.894 0.775 -1.653 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.473 3.222 -2.328 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.663 2.848 -1.209 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.885 -2.626 -6.819 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.671 -3.355 -8.066 1.00 0.19 C ATOM 1007 C GLU A 63 -2.944 -4.847 -7.882 1.00 0.19 C ATOM 1008 O GLU A 63 -3.441 -5.516 -8.787 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.232 -3.159 -8.544 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.881 -1.720 -8.888 1.00 0.29 C ATOM 1011 CD GLU A 63 -1.457 -1.280 -10.219 1.00 1.16 C ATOM 1012 OE1 GLU A 63 -2.602 -0.789 -10.256 1.00 1.98 O ATOM 1013 OE2 GLU A 63 -0.753 -1.421 -11.241 1.00 1.58 O ATOM 0 H GLU A 63 -2.079 -2.079 -6.515 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.364 -2.962 -8.810 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.552 -3.512 -7.769 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -1.065 -3.782 -9.422 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.251 -1.062 -8.101 1.00 0.29 H new ATOM 0 HG3 GLU A 63 0.203 -1.610 -8.912 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.621 -5.352 -6.700 1.00 0.17 N ATOM 1021 CA HIS A 64 -2.783 -6.767 -6.398 1.00 0.19 C ATOM 1022 C HIS A 64 -4.254 -7.116 -6.200 1.00 0.19 C ATOM 1023 O HIS A 64 -4.770 -8.059 -6.801 1.00 0.24 O ATOM 1024 CB HIS A 64 -1.986 -7.124 -5.139 1.00 0.20 C ATOM 1025 CG HIS A 64 -1.864 -8.597 -4.883 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -2.246 -9.189 -3.697 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -1.370 -9.596 -5.656 1.00 1.13 C ATOM 1028 CE1 HIS A 64 -1.992 -10.484 -3.753 1.00 1.68 C ATOM 1029 NE2 HIS A 64 -1.463 -10.755 -4.928 1.00 1.33 N ATOM 0 H HIS A 64 -2.243 -4.799 -5.931 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.405 -7.345 -7.241 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -0.986 -6.698 -5.223 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.461 -6.655 -4.277 1.00 0.20 H new ATOM 0 HD2 HIS A 64 -0.977 -9.497 -6.657 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -2.186 -11.200 -2.968 1.00 1.68 H new ATOM 0 HE2 HIS A 64 -1.169 -11.679 -5.246 1.00 1.33 H new ATOM 1038 N ALA A 65 -4.933 -6.339 -5.367 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.322 -6.622 -5.028 1.00 0.16 C ATOM 1040 C ALA A 65 -7.260 -6.288 -6.178 1.00 0.15 C ATOM 1041 O ALA A 65 -8.111 -7.099 -6.532 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.728 -5.871 -3.775 1.00 0.20 C ATOM 0 H ALA A 65 -4.547 -5.510 -4.915 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.403 -7.692 -4.837 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -7.768 -6.095 -3.538 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.092 -6.178 -2.945 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.616 -4.799 -3.941 1.00 0.20 H new ATOM 1048 N SER A 66 -7.097 -5.106 -6.765 1.00 0.16 N ATOM 1049 CA SER A 66 -7.925 -4.688 -7.894 1.00 0.20 C ATOM 1050 C SER A 66 -7.869 -5.716 -9.026 1.00 0.24 C ATOM 1051 O SER A 66 -8.881 -6.002 -9.668 1.00 0.31 O ATOM 1052 CB SER A 66 -7.469 -3.315 -8.401 1.00 0.24 C ATOM 1053 OG SER A 66 -8.283 -2.858 -9.470 1.00 1.21 O ATOM 0 H SER A 66 -6.399 -4.420 -6.478 1.00 0.16 H new ATOM 0 HA SER A 66 -8.958 -4.617 -7.553 1.00 0.20 H new ATOM 0 HB2 SER A 66 -7.502 -2.595 -7.583 1.00 0.24 H new ATOM 0 HB3 SER A 66 -6.432 -3.374 -8.732 1.00 0.24 H new ATOM 0 HG SER A 66 -7.967 -1.980 -9.769 1.00 1.21 H new ATOM 1059 N SER A 67 -6.690 -6.283 -9.255 1.00 0.25 N ATOM 1060 CA SER A 67 -6.516 -7.299 -10.285 1.00 0.33 C ATOM 1061 C SER A 67 -7.261 -8.582 -9.909 1.00 0.34 C ATOM 1062 O SER A 67 -7.866 -9.235 -10.760 1.00 0.44 O ATOM 1063 CB SER A 67 -5.023 -7.590 -10.488 1.00 0.39 C ATOM 1064 OG SER A 67 -4.810 -8.553 -11.507 1.00 1.20 O ATOM 0 H SER A 67 -5.839 -6.055 -8.740 1.00 0.25 H new ATOM 0 HA SER A 67 -6.934 -6.923 -11.219 1.00 0.33 H new ATOM 0 HB2 SER A 67 -4.504 -6.667 -10.746 1.00 0.39 H new ATOM 0 HB3 SER A 67 -4.592 -7.948 -9.553 1.00 0.39 H new ATOM 0 HG SER A 67 -3.849 -8.713 -11.610 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.239 -8.918 -8.624 1.00 0.29 N ATOM 1071 CA HIS A 68 -7.830 -10.162 -8.139 1.00 0.35 C ATOM 1072 C HIS A 68 -9.298 -9.955 -7.750 1.00 0.37 C ATOM 1073 O HIS A 68 -9.933 -10.858 -7.205 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.032 -10.675 -6.934 1.00 0.37 C ATOM 1075 CG HIS A 68 -7.127 -12.157 -6.707 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -8.258 -12.786 -6.233 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -6.201 -13.133 -6.866 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -8.025 -14.078 -6.111 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -6.783 -14.317 -6.488 1.00 0.82 N ATOM 0 H HIS A 68 -6.816 -8.343 -7.895 1.00 0.29 H new ATOM 0 HA HIS A 68 -7.793 -10.901 -8.940 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -5.984 -10.408 -7.068 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.380 -10.160 -6.038 1.00 0.37 H new ATOM 0 HD1 HIS A 68 -9.139 -12.323 -6.011 1.00 1.25 H new ATOM 0 HD2 HIS A 68 -5.190 -13.003 -7.224 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -8.731 -14.816 -5.761 1.00 1.03 H new ATOM 1088 N SER A 69 -9.823 -8.763 -8.032 1.00 0.33 N ATOM 1089 CA SER A 69 -11.214 -8.418 -7.720 1.00 0.37 C ATOM 1090 C SER A 69 -11.445 -8.411 -6.203 1.00 0.34 C ATOM 1091 O SER A 69 -12.535 -8.721 -5.720 1.00 0.54 O ATOM 1092 CB SER A 69 -12.169 -9.399 -8.417 1.00 0.47 C ATOM 1093 OG SER A 69 -13.520 -8.989 -8.297 1.00 1.12 O ATOM 0 H SER A 69 -9.301 -8.011 -8.481 1.00 0.33 H new ATOM 0 HA SER A 69 -11.418 -7.414 -8.092 1.00 0.37 H new ATOM 0 HB2 SER A 69 -11.905 -9.477 -9.472 1.00 0.47 H new ATOM 0 HB3 SER A 69 -12.050 -10.392 -7.984 1.00 0.47 H new ATOM 0 HG SER A 69 -13.705 -8.740 -7.367 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.417 -8.018 -5.462 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.473 -7.995 -4.009 1.00 0.21 C ATOM 1101 C ILE A 70 -10.662 -6.562 -3.507 1.00 0.19 C ATOM 1102 O ILE A 70 -10.211 -5.612 -4.143 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.185 -8.609 -3.397 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -8.999 -10.046 -3.896 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.232 -8.585 -1.874 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -7.766 -10.732 -3.343 1.00 0.36 C ATOM 0 H ILE A 70 -9.526 -7.708 -5.850 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.325 -8.596 -3.692 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.337 -8.005 -3.718 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -9.879 -10.630 -3.628 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -8.941 -10.038 -4.984 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.316 -9.022 -1.475 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.323 -7.555 -1.529 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.090 -9.161 -1.527 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.703 -11.744 -3.742 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -6.877 -10.172 -3.633 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -7.830 -10.774 -2.256 1.00 0.36 H new ATOM 1118 N SER A 71 -11.331 -6.415 -2.368 1.00 0.19 N ATOM 1119 CA SER A 71 -11.565 -5.103 -1.783 1.00 0.19 C ATOM 1120 C SER A 71 -10.444 -4.770 -0.806 1.00 0.17 C ATOM 1121 O SER A 71 -9.679 -5.652 -0.426 1.00 0.19 O ATOM 1122 CB SER A 71 -12.926 -5.078 -1.080 1.00 0.23 C ATOM 1123 OG SER A 71 -13.962 -5.454 -1.977 1.00 1.01 O ATOM 0 H SER A 71 -11.721 -7.191 -1.832 1.00 0.19 H new ATOM 0 HA SER A 71 -11.574 -4.350 -2.571 1.00 0.19 H new ATOM 0 HB2 SER A 71 -12.913 -5.757 -0.227 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.121 -4.079 -0.690 1.00 0.23 H new ATOM 0 HG SER A 71 -14.823 -5.434 -1.509 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.340 -3.508 -0.408 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.210 -3.046 0.391 1.00 0.14 C ATOM 1131 C ILE A 72 -9.661 -2.054 1.472 1.00 0.14 C ATOM 1132 O ILE A 72 -10.686 -1.392 1.335 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.132 -2.383 -0.525 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.496 -3.426 -1.450 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -7.054 -1.670 0.279 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.265 -2.924 -2.173 1.00 0.20 C ATOM 0 H ILE A 72 -11.025 -2.785 -0.626 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.774 -3.914 0.886 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.643 -1.632 -1.128 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.229 -4.305 -0.863 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.234 -3.745 -2.186 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.327 -1.225 -0.401 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.510 -0.888 0.885 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.551 -2.386 0.929 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.869 -3.715 -2.809 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.529 -2.063 -2.787 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.509 -2.632 -1.444 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.890 -1.992 2.550 1.00 0.13 N ATOM 1149 CA ILE A 73 -9.062 -1.014 3.617 1.00 0.13 C ATOM 1150 C ILE A 73 -7.679 -0.525 4.040 1.00 0.13 C ATOM 1151 O ILE A 73 -6.886 -1.290 4.567 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.794 -1.618 4.841 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.272 -1.860 4.523 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.644 -0.716 6.060 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -12.050 -0.599 4.209 1.00 0.24 C ATOM 0 H ILE A 73 -8.112 -2.632 2.710 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.674 -0.192 3.245 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.334 -2.579 5.072 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.344 -2.540 3.674 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.738 -2.360 5.372 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -10.166 -1.160 6.908 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.587 -0.605 6.302 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -10.071 0.263 5.843 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -13.088 -0.855 3.995 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -12.012 0.075 5.065 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.611 -0.107 3.341 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.348 0.736 3.771 1.00 0.17 N ATOM 1168 CA PRO A 74 -6.002 1.250 3.973 1.00 0.18 C ATOM 1169 C PRO A 74 -5.726 1.802 5.377 1.00 0.17 C ATOM 1170 O PRO A 74 -6.131 2.916 5.713 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.900 2.370 2.929 1.00 0.23 C ATOM 1172 CG PRO A 74 -7.277 2.547 2.351 1.00 0.31 C ATOM 1173 CD PRO A 74 -8.223 1.760 3.217 1.00 0.23 C ATOM 0 HA PRO A 74 -5.267 0.452 3.869 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -5.550 3.295 3.387 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -5.184 2.109 2.150 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -7.556 3.601 2.334 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -7.311 2.192 1.321 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.672 2.377 3.995 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -9.041 1.329 2.640 1.00 0.23 H new ATOM 1181 N SER A 75 -5.033 1.008 6.190 1.00 0.16 N ATOM 1182 CA SER A 75 -4.451 1.494 7.440 1.00 0.17 C ATOM 1183 C SER A 75 -3.196 2.322 7.138 1.00 0.16 C ATOM 1184 O SER A 75 -2.630 2.974 8.016 1.00 0.20 O ATOM 1185 CB SER A 75 -4.111 0.329 8.371 1.00 0.20 C ATOM 1186 OG SER A 75 -5.275 -0.391 8.735 1.00 1.19 O ATOM 0 H SER A 75 -4.860 0.020 6.005 1.00 0.16 H new ATOM 0 HA SER A 75 -5.183 2.125 7.945 1.00 0.17 H new ATOM 0 HB2 SER A 75 -3.405 -0.340 7.878 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.619 0.707 9.267 1.00 0.20 H new ATOM 0 HG SER A 75 -5.587 -0.917 7.969 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.760 2.253 5.882 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.654 3.052 5.339 1.00 0.17 C ATOM 1194 C CYS A 76 -1.897 4.542 5.447 1.00 0.16 C ATOM 1195 O CYS A 76 -1.161 5.283 4.833 1.00 0.20 O ATOM 1196 CB CYS A 76 -1.397 2.770 3.863 1.00 0.25 C ATOM 1197 SG CYS A 76 -2.706 3.349 2.762 1.00 0.90 S ATOM 0 H CYS A 76 -3.174 1.625 5.193 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.797 2.758 5.945 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -0.458 3.241 3.572 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -1.271 1.696 3.726 1.00 0.25 H new ATOM 0 HG CYS A 76 -2.541 2.831 1.581 1.00 0.90 H new ATOM 1203 N SER A 77 -2.932 4.951 6.172 1.00 0.20 N ATOM 1204 CA SER A 77 -3.640 6.220 5.979 1.00 0.25 C ATOM 1205 C SER A 77 -2.754 7.476 5.844 1.00 0.24 C ATOM 1206 O SER A 77 -3.264 8.538 5.500 1.00 0.26 O ATOM 1207 CB SER A 77 -4.623 6.406 7.126 1.00 0.34 C ATOM 1208 OG SER A 77 -5.428 5.248 7.292 1.00 0.71 O ATOM 0 H SER A 77 -3.317 4.394 6.935 1.00 0.20 H new ATOM 0 HA SER A 77 -4.138 6.135 5.013 1.00 0.25 H new ATOM 0 HB2 SER A 77 -4.079 6.611 8.048 1.00 0.34 H new ATOM 0 HB3 SER A 77 -5.257 7.271 6.931 1.00 0.34 H new ATOM 0 HG SER A 77 -5.435 4.732 6.459 1.00 0.71 H new ATOM 1214 N TYR A 78 -1.455 7.375 6.089 1.00 0.23 N ATOM 1215 CA TYR A 78 -0.528 8.372 5.568 1.00 0.24 C ATOM 1216 C TYR A 78 -0.701 8.437 4.046 1.00 0.20 C ATOM 1217 O TYR A 78 -0.914 9.504 3.474 1.00 0.21 O ATOM 1218 CB TYR A 78 0.927 8.005 5.916 1.00 0.27 C ATOM 1219 CG TYR A 78 1.930 8.416 4.850 1.00 0.24 C ATOM 1220 CD1 TYR A 78 2.336 9.736 4.715 1.00 0.24 C ATOM 1221 CD2 TYR A 78 2.443 7.479 3.957 1.00 0.26 C ATOM 1222 CE1 TYR A 78 3.223 10.112 3.724 1.00 0.25 C ATOM 1223 CE2 TYR A 78 3.332 7.843 2.965 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.718 9.166 2.851 1.00 0.25 C ATOM 1225 OH TYR A 78 4.603 9.550 1.867 1.00 0.30 O ATOM 0 H TYR A 78 -1.024 6.628 6.634 1.00 0.23 H new ATOM 0 HA TYR A 78 -0.744 9.341 6.019 1.00 0.24 H new ATOM 0 HB2 TYR A 78 1.197 8.480 6.859 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.994 6.928 6.070 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.953 10.482 5.396 1.00 0.24 H new ATOM 0 HD2 TYR A 78 2.139 6.446 4.042 1.00 0.26 H new ATOM 0 HE1 TYR A 78 3.528 11.144 3.633 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.722 7.101 2.284 1.00 0.27 H new ATOM 0 HH TYR A 78 4.860 8.768 1.335 1.00 0.30 H new ATOM 1235 N VAL A 79 -0.650 7.266 3.411 1.00 0.18 N ATOM 1236 CA VAL A 79 -0.852 7.136 1.983 1.00 0.17 C ATOM 1237 C VAL A 79 -2.293 7.450 1.644 1.00 0.18 C ATOM 1238 O VAL A 79 -2.575 8.224 0.736 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.537 5.705 1.501 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.798 5.562 0.012 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.894 5.319 1.833 1.00 0.18 C ATOM 0 H VAL A 79 -0.466 6.381 3.883 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.179 7.834 1.485 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.203 5.023 2.030 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.568 4.544 -0.302 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.846 5.778 -0.196 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.168 6.262 -0.537 1.00 0.20 H new ATOM 0 HG21 VAL A 79 1.088 4.306 1.482 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.580 6.010 1.344 1.00 0.18 H new ATOM 0 HG23 VAL A 79 1.042 5.364 2.912 1.00 0.18 H new ATOM 1251 N SER A 80 -3.202 6.842 2.393 1.00 0.20 N ATOM 1252 CA SER A 80 -4.632 7.038 2.167 1.00 0.25 C ATOM 1253 C SER A 80 -4.997 8.521 2.091 1.00 0.23 C ATOM 1254 O SER A 80 -5.685 8.953 1.169 1.00 0.23 O ATOM 1255 CB SER A 80 -5.437 6.388 3.285 1.00 0.36 C ATOM 1256 OG SER A 80 -4.942 5.100 3.582 1.00 0.99 O ATOM 0 H SER A 80 -2.978 6.210 3.161 1.00 0.20 H new ATOM 0 HA SER A 80 -4.873 6.572 1.211 1.00 0.25 H new ATOM 0 HB2 SER A 80 -5.396 7.012 4.178 1.00 0.36 H new ATOM 0 HB3 SER A 80 -6.485 6.320 2.992 1.00 0.36 H new ATOM 0 HG SER A 80 -4.265 4.849 2.919 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.506 9.294 3.044 1.00 0.24 N ATOM 1263 CA ASP A 81 -4.918 10.684 3.196 1.00 0.25 C ATOM 1264 C ASP A 81 -4.371 11.564 2.083 1.00 0.25 C ATOM 1265 O ASP A 81 -5.090 12.390 1.536 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.472 11.228 4.560 1.00 0.31 C ATOM 1267 CG ASP A 81 -4.704 12.721 4.712 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -5.860 13.122 4.953 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -3.738 13.501 4.576 1.00 0.47 O ATOM 0 H ASP A 81 -3.817 8.983 3.729 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.006 10.708 3.135 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -5.010 10.701 5.348 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.412 11.015 4.700 1.00 0.31 H new ATOM 1274 N THR A 82 -3.097 11.417 1.771 1.00 0.23 N ATOM 1275 CA THR A 82 -2.490 12.250 0.741 1.00 0.25 C ATOM 1276 C THR A 82 -2.629 11.641 -0.661 1.00 0.22 C ATOM 1277 O THR A 82 -3.092 12.297 -1.598 1.00 0.23 O ATOM 1278 CB THR A 82 -1.002 12.572 1.043 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.456 13.398 0.008 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.158 11.312 1.174 1.00 0.26 C ATOM 0 H THR A 82 -2.468 10.741 2.206 1.00 0.23 H new ATOM 0 HA THR A 82 -3.046 13.187 0.756 1.00 0.25 H new ATOM 0 HB THR A 82 -0.976 13.098 1.997 1.00 0.28 H new ATOM 0 HG1 THR A 82 0.425 13.727 0.283 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.875 11.587 1.385 1.00 0.26 H new ATOM 0 HG22 THR A 82 -0.544 10.699 1.988 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.200 10.747 0.243 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.233 10.380 -0.789 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.065 9.739 -2.086 1.00 0.19 C ATOM 1290 C PHE A 83 -3.389 9.377 -2.741 1.00 0.19 C ATOM 1291 O PHE A 83 -3.527 9.469 -3.959 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.224 8.484 -1.936 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.526 8.086 -3.202 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.457 8.896 -3.740 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.865 6.919 -3.862 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.095 8.548 -4.913 1.00 1.50 C ATOM 1297 CE2 PHE A 83 -0.233 6.569 -5.038 1.00 2.25 C ATOM 1298 CZ PHE A 83 0.749 7.383 -5.562 1.00 2.24 C ATOM 0 H PHE A 83 -2.020 9.774 0.003 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.566 10.461 -2.732 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.482 8.643 -1.154 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.862 7.664 -1.607 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.729 9.812 -3.236 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -1.631 6.276 -3.454 1.00 1.54 H new ATOM 0 HE1 PHE A 83 1.864 9.187 -5.321 1.00 1.50 H new ATOM 0 HE2 PHE A 83 -0.508 5.657 -5.548 1.00 2.25 H new ATOM 0 HZ PHE A 83 1.246 7.108 -6.480 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.354 8.943 -1.946 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.640 8.523 -2.503 1.00 0.19 C ATOM 1310 C LEU A 84 -6.393 9.680 -3.166 1.00 0.22 C ATOM 1311 O LEU A 84 -6.969 9.496 -4.230 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.504 7.838 -1.450 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.171 6.362 -1.226 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -6.861 5.842 0.016 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.588 5.537 -2.432 1.00 0.34 C ATOM 0 H LEU A 84 -4.280 8.871 -0.931 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.420 7.796 -3.285 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.395 8.370 -0.505 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.550 7.922 -1.745 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.093 6.273 -1.090 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.611 4.790 0.158 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.529 6.414 0.883 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -7.940 5.947 -0.096 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -6.345 4.489 -2.258 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.662 5.639 -2.589 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -6.057 5.891 -3.316 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.426 10.880 -2.557 1.00 0.22 N ATOM 1328 CA PRO A 85 -6.945 12.074 -3.231 1.00 0.26 C ATOM 1329 C PRO A 85 -6.102 12.446 -4.446 1.00 0.28 C ATOM 1330 O PRO A 85 -6.596 13.033 -5.409 1.00 0.33 O ATOM 1331 CB PRO A 85 -6.840 13.177 -2.179 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.732 12.466 -0.884 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.040 11.165 -1.170 1.00 0.22 C ATOM 0 HA PRO A 85 -7.960 11.916 -3.597 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -5.969 13.809 -2.356 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.715 13.827 -2.200 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.166 13.056 -0.163 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.718 12.295 -0.452 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -4.959 11.251 -1.062 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.366 10.377 -0.491 1.00 0.22 H new ATOM 1341 N ARG A 86 -4.823 12.102 -4.382 1.00 0.27 N ATOM 1342 CA ARG A 86 -3.890 12.400 -5.457 1.00 0.31 C ATOM 1343 C ARG A 86 -4.213 11.541 -6.677 1.00 0.35 C ATOM 1344 O ARG A 86 -4.250 12.032 -7.807 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.453 12.149 -4.987 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.388 12.762 -5.883 1.00 0.75 C ATOM 1347 CD ARG A 86 0.013 12.398 -5.413 1.00 0.72 C ATOM 1348 NE ARG A 86 0.235 12.724 -4.004 1.00 1.43 N ATOM 1349 CZ ARG A 86 1.316 12.350 -3.317 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.302 11.697 -3.927 1.00 1.44 N ATOM 1351 NH2 ARG A 86 1.423 12.637 -2.026 1.00 2.56 N ATOM 0 H ARG A 86 -4.407 11.613 -3.590 1.00 0.27 H new ATOM 0 HA ARG A 86 -3.985 13.450 -5.735 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.337 12.548 -3.979 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.285 11.074 -4.926 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -1.530 12.417 -6.907 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.499 13.846 -5.893 1.00 0.75 H new ATOM 0 HD2 ARG A 86 0.178 11.331 -5.566 1.00 0.72 H new ATOM 0 HD3 ARG A 86 0.746 12.925 -6.024 1.00 0.72 H new ATOM 0 HE ARG A 86 -0.478 13.269 -3.519 1.00 1.43 H new ATOM 0 HH11 ARG A 86 2.232 11.482 -4.922 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.128 11.412 -3.400 1.00 1.44 H new ATOM 0 HH21 ARG A 86 0.676 13.146 -1.553 1.00 2.56 H new ATOM 0 HH22 ARG A 86 2.252 12.348 -1.506 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.463 10.259 -6.433 1.00 0.30 N ATOM 1366 CA ASN A 87 -4.834 9.323 -7.489 1.00 0.37 C ATOM 1367 C ASN A 87 -6.055 8.514 -7.058 1.00 0.34 C ATOM 1368 O ASN A 87 -5.930 7.375 -6.601 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.673 8.371 -7.816 1.00 0.50 C ATOM 1370 CG ASN A 87 -2.418 9.094 -8.259 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -2.223 9.362 -9.443 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -1.543 9.398 -7.311 1.00 1.22 N ATOM 0 H ASN A 87 -4.415 9.841 -5.504 1.00 0.30 H new ATOM 0 HA ASN A 87 -5.071 9.897 -8.385 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -3.447 7.768 -6.936 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -3.985 7.683 -8.602 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -0.672 9.871 -7.553 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -1.740 9.159 -6.339 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.257 9.099 -7.177 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.486 8.479 -6.703 1.00 0.42 C ATOM 1381 C PRO A 88 -9.058 7.482 -7.698 1.00 0.49 C ATOM 1382 O PRO A 88 -9.923 7.819 -8.504 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.449 9.662 -6.511 1.00 0.53 C ATOM 1384 CG PRO A 88 -8.731 10.882 -7.013 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.523 10.408 -7.773 1.00 0.46 C ATOM 0 HA PRO A 88 -8.317 7.904 -5.792 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.375 9.502 -7.063 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -9.720 9.776 -5.461 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -9.382 11.474 -7.656 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.435 11.523 -6.182 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -7.722 10.333 -8.842 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -6.678 11.086 -7.653 1.00 0.46 H new ATOM 1393 N SER A 89 -8.559 6.257 -7.652 1.00 0.30 N ATOM 1394 CA SER A 89 -9.025 5.222 -8.559 1.00 0.36 C ATOM 1395 C SER A 89 -9.245 3.915 -7.803 1.00 0.34 C ATOM 1396 O SER A 89 -9.482 2.866 -8.397 1.00 0.42 O ATOM 1397 CB SER A 89 -7.997 5.026 -9.683 1.00 0.44 C ATOM 1398 OG SER A 89 -8.527 4.254 -10.747 1.00 1.37 O ATOM 0 H SER A 89 -7.835 5.957 -6.999 1.00 0.30 H new ATOM 0 HA SER A 89 -9.976 5.528 -8.995 1.00 0.36 H new ATOM 0 HB2 SER A 89 -7.681 5.998 -10.061 1.00 0.44 H new ATOM 0 HB3 SER A 89 -7.110 4.535 -9.284 1.00 0.44 H new ATOM 0 HG SER A 89 -8.987 3.469 -10.384 1.00 1.37 H new ATOM 1404 N TRP A 90 -9.186 3.987 -6.478 1.00 0.30 N ATOM 1405 CA TRP A 90 -9.234 2.783 -5.659 1.00 0.28 C ATOM 1406 C TRP A 90 -10.471 2.763 -4.763 1.00 0.32 C ATOM 1407 O TRP A 90 -10.616 1.889 -3.910 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.969 2.684 -4.811 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.722 3.034 -5.567 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.938 4.135 -5.379 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -6.122 2.294 -6.640 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.884 4.122 -6.256 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.973 3.002 -7.043 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -6.443 1.101 -7.295 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -4.146 2.556 -8.070 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.619 0.660 -8.314 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -4.484 1.386 -8.693 1.00 0.38 C ATOM 0 H TRP A 90 -9.106 4.858 -5.953 1.00 0.30 H new ATOM 0 HA TRP A 90 -9.294 1.923 -6.326 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -8.063 3.347 -3.951 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.878 1.670 -4.423 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -6.121 4.906 -4.645 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -4.152 4.830 -6.314 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -7.318 0.535 -7.010 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -3.269 3.114 -8.364 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.855 -0.261 -8.826 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.862 1.015 -9.494 1.00 0.38 H new ATOM 1428 N LYS A 91 -11.356 3.736 -4.957 1.00 0.37 N ATOM 1429 CA LYS A 91 -12.629 3.788 -4.237 1.00 0.43 C ATOM 1430 C LYS A 91 -13.443 2.489 -4.383 1.00 0.41 C ATOM 1431 O LYS A 91 -14.041 2.040 -3.408 1.00 0.42 O ATOM 1432 CB LYS A 91 -13.471 4.974 -4.710 1.00 0.55 C ATOM 1433 CG LYS A 91 -12.847 6.331 -4.427 1.00 1.20 C ATOM 1434 CD LYS A 91 -13.780 7.452 -4.843 1.00 1.38 C ATOM 1435 CE LYS A 91 -13.156 8.820 -4.635 1.00 1.83 C ATOM 1436 NZ LYS A 91 -14.072 9.902 -5.079 1.00 2.61 N ATOM 0 H LYS A 91 -11.215 4.506 -5.611 1.00 0.37 H new ATOM 0 HA LYS A 91 -12.383 3.910 -3.182 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -13.640 4.881 -5.783 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -14.448 4.928 -4.228 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -12.620 6.417 -3.364 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -11.902 6.421 -4.963 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -14.046 7.331 -5.893 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -14.705 7.385 -4.270 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -12.913 8.955 -3.581 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -12.219 8.883 -5.189 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -13.619 10.825 -4.925 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -14.283 9.785 -6.090 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -14.956 9.855 -4.533 1.00 2.61 H new ATOM 1450 N PRO A 92 -13.511 1.869 -5.592 1.00 0.41 N ATOM 1451 CA PRO A 92 -14.188 0.569 -5.771 1.00 0.42 C ATOM 1452 C PRO A 92 -13.640 -0.528 -4.855 1.00 0.38 C ATOM 1453 O PRO A 92 -14.280 -1.563 -4.656 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.915 0.219 -7.237 1.00 0.46 C ATOM 1455 CG PRO A 92 -13.695 1.530 -7.903 1.00 0.69 C ATOM 1456 CD PRO A 92 -13.007 2.391 -6.885 1.00 0.43 C ATOM 0 HA PRO A 92 -15.246 0.638 -5.518 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -13.042 -0.426 -7.334 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.756 -0.314 -7.680 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -13.083 1.417 -8.798 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -14.640 1.973 -8.217 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.923 2.308 -6.956 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -13.255 3.444 -7.017 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.460 -0.296 -4.301 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.819 -1.272 -3.435 1.00 0.26 C ATOM 1466 C LEU A 93 -12.038 -0.907 -1.977 1.00 0.22 C ATOM 1467 O LEU A 93 -12.452 -1.735 -1.165 1.00 0.21 O ATOM 1468 CB LEU A 93 -10.321 -1.308 -3.728 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.962 -1.390 -5.208 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -8.466 -1.212 -5.405 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -10.418 -2.719 -5.787 1.00 0.26 C ATOM 0 H LEU A 93 -11.926 0.562 -4.437 1.00 0.30 H new ATOM 0 HA LEU A 93 -12.256 -2.252 -3.625 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.861 -0.415 -3.306 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.885 -2.165 -3.214 1.00 0.25 H new ATOM 0 HG LEU A 93 -10.476 -0.585 -5.734 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -8.229 -1.274 -6.467 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -8.162 -0.238 -5.021 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.932 -1.996 -4.868 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -10.156 -2.765 -6.844 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.928 -3.535 -5.256 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.498 -2.812 -5.677 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.765 0.346 -1.667 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.796 0.835 -0.299 1.00 0.22 C ATOM 1485 C ILE A 94 -13.037 1.680 -0.052 1.00 0.27 C ATOM 1486 O ILE A 94 -14.070 1.487 -0.688 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.546 1.696 -0.014 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.536 2.934 -0.911 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.281 0.887 -0.241 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -9.360 3.838 -0.661 1.00 0.75 C ATOM 0 H ILE A 94 -11.515 1.055 -2.356 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.813 -0.030 0.364 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.580 2.013 1.028 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -10.528 2.619 -1.954 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.457 3.495 -0.755 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.410 1.509 -0.036 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.276 0.024 0.425 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -9.248 0.546 -1.276 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -9.413 4.697 -1.330 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -9.379 4.182 0.373 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.435 3.291 -0.845 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.937 2.590 0.903 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.943 3.618 1.083 1.00 0.43 C ATOM 1504 C HIS A 95 -13.581 4.818 0.210 1.00 0.39 C ATOM 1505 O HIS A 95 -14.079 4.962 -0.903 1.00 0.55 O ATOM 1506 CB HIS A 95 -14.033 4.049 2.551 1.00 0.64 C ATOM 1507 CG HIS A 95 -14.525 2.985 3.485 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -15.706 2.304 3.308 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -13.982 2.497 4.622 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -15.868 1.446 4.299 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -14.833 1.543 5.111 1.00 1.70 N ATOM 0 H HIS A 95 -12.164 2.636 1.567 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.915 3.220 0.791 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -13.047 4.376 2.881 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -14.695 4.912 2.623 1.00 0.64 H new ATOM 0 HD2 HIS A 95 -13.046 2.804 5.065 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -16.707 0.777 4.424 1.00 2.24 H new ATOM 0 HE2 HIS A 95 -14.691 0.998 5.961 1.00 1.70 H new ATOM 1520 N SER A 96 -12.677 5.649 0.726 1.00 0.41 N ATOM 1521 CA SER A 96 -12.140 6.801 0.009 1.00 0.49 C ATOM 1522 C SER A 96 -11.196 7.559 0.930 1.00 0.67 C ATOM 1523 O SER A 96 -11.591 7.952 2.033 1.00 1.53 O ATOM 1524 CB SER A 96 -13.248 7.747 -0.461 1.00 0.51 C ATOM 1525 OG SER A 96 -14.145 8.043 0.591 1.00 1.43 O ATOM 0 H SER A 96 -12.293 5.539 1.665 1.00 0.41 H new ATOM 0 HA SER A 96 -11.614 6.436 -0.873 1.00 0.49 H new ATOM 0 HB2 SER A 96 -12.807 8.670 -0.837 1.00 0.51 H new ATOM 0 HB3 SER A 96 -13.791 7.292 -1.289 1.00 0.51 H new ATOM 0 HG SER A 96 -13.645 8.150 1.427 1.00 1.43 H new ATOM 1531 N GLU A 97 -9.949 7.718 0.502 1.00 0.58 N ATOM 1532 CA GLU A 97 -8.977 8.505 1.238 1.00 0.52 C ATOM 1533 C GLU A 97 -8.802 7.925 2.647 1.00 0.61 C ATOM 1534 O GLU A 97 -8.932 6.716 2.850 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.436 9.975 1.268 1.00 0.47 C ATOM 1536 CG GLU A 97 -8.358 10.969 1.672 1.00 1.09 C ATOM 1537 CD GLU A 97 -8.899 12.375 1.785 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -9.458 12.885 0.795 1.00 1.89 O ATOM 1539 OE2 GLU A 97 -8.742 12.991 2.857 1.00 1.79 O ATOM 0 H GLU A 97 -9.589 7.307 -0.359 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.005 8.466 0.747 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -9.809 10.245 0.280 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.273 10.066 1.960 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -7.927 10.668 2.627 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -7.552 10.948 0.938 1.00 1.09 H new