USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 620 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 59 ASN : amide:sc= 0.256 K(o=-1.5,f=-13!) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.74 K(o=-1.5,f=-4.6!) USER MOD Set 2.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 49 HIS : no HD1:sc= -2.59 K(o=-2.6,f=-1.1) USER MOD Single : A 7 ASN : amide:sc= -0.77 K(o=-0.77,f=-6!) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.0697 (180deg=-0.403) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -178:sc= -0.714 (180deg=-0.729) USER MOD Single : A 15 ASN : amide:sc= 0.971 K(o=0.97,f=-3.4!) USER MOD Single : A 16 SER OG : rot 87:sc= 1.14 USER MOD Single : A 22 ASN : amide:sc= 0.349 K(o=0.35,f=-0.34) USER MOD Single : A 24 ASN : amide:sc= -3.4 K(o=-3.4,f=-5.6!) USER MOD Single : A 25 THR OG1 : rot 80:sc= 0.49 USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 1.02 (180deg=0.886) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.00255 USER MOD Single : A 38 SER OG : rot -27:sc= 0.319 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 1.05 (180deg=0.867) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot -150:sc= -2.55! USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.0347 (180deg=-0.389) USER MOD Single : A 56 GLN : amide:sc= 1.08 K(o=1.1,f=-6!) USER MOD Single : A 57 TYR OH : rot -21:sc= 0.887 USER MOD Single : A 74 MET CE :methyl -135:sc= -0.0771 (180deg=-0.911) USER MOD Single : A 78 GLN : amide:sc= -2.23! K(o=-2.2!,f=-0.01) USER MOD Single : A 83 ASN : amide:sc= 0.739 K(o=0.74,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 7 -4.315 11.779 6.430 1.00 0.00 N ATOM 68 CA ASN A 7 -4.850 11.724 7.795 1.00 0.00 C ATOM 69 C ASN A 7 -5.493 13.021 8.294 1.00 0.00 C ATOM 70 O ASN A 7 -5.663 13.188 9.500 1.00 0.00 O ATOM 71 CB ASN A 7 -3.799 11.182 8.772 1.00 0.00 C ATOM 72 CG ASN A 7 -2.710 12.186 9.142 1.00 0.00 C ATOM 73 OD1 ASN A 7 -2.768 13.360 8.787 1.00 0.00 O ATOM 74 ND2 ASN A 7 -1.701 11.716 9.865 1.00 0.00 N ATOM 0 HA ASN A 7 -5.683 11.022 7.752 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.301 10.855 9.683 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.331 10.301 8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.941 12.336 10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.686 10.734 10.142 1.00 0.00 H new ATOM 81 N LYS A 8 -5.856 13.939 7.393 1.00 0.00 N ATOM 82 CA LYS A 8 -6.545 15.169 7.780 1.00 0.00 C ATOM 83 C LYS A 8 -7.888 14.826 8.422 1.00 0.00 C ATOM 84 O LYS A 8 -8.375 13.706 8.283 1.00 0.00 O ATOM 85 CB LYS A 8 -6.746 16.072 6.561 1.00 0.00 C ATOM 86 CG LYS A 8 -5.546 16.978 6.255 1.00 0.00 C ATOM 87 CD LYS A 8 -4.247 16.221 5.959 1.00 0.00 C ATOM 88 CE LYS A 8 -3.461 15.876 7.228 1.00 0.00 C ATOM 89 NZ LYS A 8 -2.958 17.087 7.902 1.00 0.00 N ATOM 0 H LYS A 8 -5.683 13.852 6.392 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.935 15.707 8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.951 15.450 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.627 16.694 6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.789 17.608 5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.381 17.642 7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.481 15.303 5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.621 16.825 5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.100 15.317 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.623 15.227 6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.162 16.834 8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.637 17.773 7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.719 17.509 8.471 1.00 0.00 H new ATOM 103 N THR A 9 -8.493 15.784 9.123 1.00 0.00 N ATOM 104 CA THR A 9 -9.747 15.562 9.834 1.00 0.00 C ATOM 105 C THR A 9 -10.789 16.619 9.473 1.00 0.00 C ATOM 106 O THR A 9 -11.725 16.865 10.232 1.00 0.00 O ATOM 107 CB THR A 9 -9.506 15.491 11.346 1.00 0.00 C ATOM 108 OG1 THR A 9 -8.874 16.673 11.789 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.622 14.291 11.685 1.00 0.00 C ATOM 0 H THR A 9 -8.128 16.732 9.213 1.00 0.00 H new ATOM 0 HA THR A 9 -10.151 14.600 9.517 1.00 0.00 H new ATOM 0 HB THR A 9 -10.469 15.382 11.846 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.725 16.621 12.756 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.459 14.252 12.762 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.113 13.374 11.359 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.663 14.390 11.176 1.00 0.00 H new ATOM 117 N ASP A 10 -10.633 17.251 8.306 1.00 0.00 N ATOM 118 CA ASP A 10 -11.558 18.267 7.832 1.00 0.00 C ATOM 119 C ASP A 10 -12.919 17.644 7.508 1.00 0.00 C ATOM 120 O ASP A 10 -12.996 16.454 7.198 1.00 0.00 O ATOM 121 CB ASP A 10 -10.955 18.956 6.606 1.00 0.00 C ATOM 122 CG ASP A 10 -9.698 19.735 6.979 1.00 0.00 C ATOM 123 OD1 ASP A 10 -9.853 20.877 7.470 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.594 19.187 6.771 1.00 0.00 O ATOM 0 H ASP A 10 -9.859 17.067 7.668 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.719 19.011 8.612 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.714 18.211 5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.689 19.632 6.167 1.00 0.00 H new ATOM 129 N PRO A 11 -13.998 18.438 7.574 1.00 0.00 N ATOM 130 CA PRO A 11 -15.366 17.969 7.403 1.00 0.00 C ATOM 131 C PRO A 11 -15.640 17.459 5.988 1.00 0.00 C ATOM 132 O PRO A 11 -16.705 16.896 5.742 1.00 0.00 O ATOM 133 CB PRO A 11 -16.246 19.172 7.741 1.00 0.00 C ATOM 134 CG PRO A 11 -15.351 20.369 7.426 1.00 0.00 C ATOM 135 CD PRO A 11 -13.975 19.863 7.842 1.00 0.00 C ATOM 0 HA PRO A 11 -15.569 17.115 8.049 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.157 19.184 7.143 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.552 19.164 8.787 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.384 20.635 6.369 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.645 21.256 7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.186 20.358 7.276 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.784 20.063 8.896 1.00 0.00 H new ATOM 143 N ARG A 12 -14.698 17.640 5.054 1.00 0.00 N ATOM 144 CA ARG A 12 -14.831 17.098 3.706 1.00 0.00 C ATOM 145 C ARG A 12 -13.728 16.091 3.400 1.00 0.00 C ATOM 146 O ARG A 12 -13.910 15.229 2.548 1.00 0.00 O ATOM 147 CB ARG A 12 -14.887 18.244 2.688 1.00 0.00 C ATOM 148 CG ARG A 12 -13.550 18.961 2.489 1.00 0.00 C ATOM 149 CD ARG A 12 -12.702 18.268 1.421 1.00 0.00 C ATOM 150 NE ARG A 12 -11.400 18.923 1.265 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.402 18.426 0.530 1.00 0.00 C ATOM 152 NH1 ARG A 12 -10.552 17.278 -0.130 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.244 19.075 0.448 1.00 0.00 N ATOM 0 H ARG A 12 -13.835 18.160 5.213 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.768 16.546 3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.223 17.849 1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.633 18.970 3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.730 19.996 2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.003 18.984 3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.555 17.223 1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.233 18.279 0.469 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.247 19.810 1.746 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.435 16.771 -0.076 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.784 16.907 -0.689 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.116 19.955 0.947 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.484 18.693 -0.114 1.00 0.00 H new ATOM 167 N SER A 13 -12.583 16.180 4.084 1.00 0.00 N ATOM 168 CA SER A 13 -11.479 15.266 3.838 1.00 0.00 C ATOM 169 C SER A 13 -11.715 13.929 4.532 1.00 0.00 C ATOM 170 O SER A 13 -11.105 12.930 4.167 1.00 0.00 O ATOM 171 CB SER A 13 -10.168 15.898 4.309 1.00 0.00 C ATOM 172 OG SER A 13 -9.966 17.120 3.631 1.00 0.00 O ATOM 0 H SER A 13 -12.403 16.875 4.808 1.00 0.00 H new ATOM 0 HA SER A 13 -11.414 15.077 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.199 16.068 5.385 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.336 15.221 4.117 1.00 0.00 H new ATOM 0 HG SER A 13 -9.127 17.527 3.933 1.00 0.00 H new ATOM 178 N MET A 14 -12.602 13.909 5.533 1.00 0.00 N ATOM 179 CA MET A 14 -13.002 12.690 6.226 1.00 0.00 C ATOM 180 C MET A 14 -13.914 11.832 5.348 1.00 0.00 C ATOM 181 O MET A 14 -14.150 10.668 5.662 1.00 0.00 O ATOM 182 CB MET A 14 -13.719 13.070 7.527 1.00 0.00 C ATOM 183 CG MET A 14 -12.707 13.463 8.604 1.00 0.00 C ATOM 184 SD MET A 14 -12.375 12.170 9.835 1.00 0.00 S ATOM 185 CE MET A 14 -11.992 10.757 8.770 1.00 0.00 C ATOM 0 H MET A 14 -13.063 14.748 5.884 1.00 0.00 H new ATOM 0 HA MET A 14 -12.113 12.101 6.452 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.403 13.899 7.343 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.321 12.231 7.875 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.769 13.736 8.121 1.00 0.00 H new ATOM 0 HG3 MET A 14 -13.071 14.352 9.119 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.802 9.878 9.386 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.836 10.561 8.109 1.00 0.00 H new ATOM 0 HE3 MET A 14 -11.108 10.980 8.173 1.00 0.00 H new ATOM 195 N ASN A 15 -14.426 12.400 4.252 1.00 0.00 N ATOM 196 CA ASN A 15 -15.303 11.688 3.334 1.00 0.00 C ATOM 197 C ASN A 15 -14.780 11.734 1.895 1.00 0.00 C ATOM 198 O ASN A 15 -15.334 11.074 1.023 1.00 0.00 O ATOM 199 CB ASN A 15 -16.733 12.224 3.457 1.00 0.00 C ATOM 200 CG ASN A 15 -16.787 13.734 3.624 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.855 14.479 2.650 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.758 14.192 4.871 1.00 0.00 N ATOM 0 H ASN A 15 -14.241 13.366 3.981 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.316 10.634 3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.299 11.941 2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.220 11.752 4.310 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.793 15.196 5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.701 13.539 5.653 1.00 0.00 H new ATOM 209 N SER A 16 -13.714 12.501 1.640 1.00 0.00 N ATOM 210 CA SER A 16 -13.018 12.484 0.359 1.00 0.00 C ATOM 211 C SER A 16 -11.905 11.442 0.387 1.00 0.00 C ATOM 212 O SER A 16 -11.039 11.431 -0.484 1.00 0.00 O ATOM 213 CB SER A 16 -12.457 13.870 0.029 1.00 0.00 C ATOM 214 OG SER A 16 -13.491 14.829 -0.006 1.00 0.00 O ATOM 0 H SER A 16 -13.314 13.149 2.319 1.00 0.00 H new ATOM 0 HA SER A 16 -13.728 12.216 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.715 14.155 0.775 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.947 13.842 -0.934 1.00 0.00 H new ATOM 0 HG SER A 16 -13.637 15.185 0.895 1.00 0.00 H new ATOM 220 N ARG A 17 -11.921 10.568 1.398 1.00 0.00 N ATOM 221 CA ARG A 17 -10.875 9.590 1.651 1.00 0.00 C ATOM 222 C ARG A 17 -11.410 8.170 1.547 1.00 0.00 C ATOM 223 O ARG A 17 -12.591 7.922 1.794 1.00 0.00 O ATOM 224 CB ARG A 17 -10.330 9.876 3.044 1.00 0.00 C ATOM 225 CG ARG A 17 -9.129 8.999 3.403 1.00 0.00 C ATOM 226 CD ARG A 17 -8.638 9.422 4.782 1.00 0.00 C ATOM 227 NE ARG A 17 -8.357 10.858 4.781 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.443 11.666 5.833 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.745 11.205 7.045 1.00 0.00 N ATOM 230 NH2 ARG A 17 -8.223 12.963 5.660 1.00 0.00 N ATOM 0 H ARG A 17 -12.682 10.525 2.075 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.084 9.671 0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.040 10.925 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.121 9.719 3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.412 7.946 3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.337 9.115 2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.391 9.189 5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.739 8.865 5.046 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.070 11.275 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.917 10.209 7.184 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.804 11.848 7.835 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.993 13.322 4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.284 13.601 6.454 1.00 0.00 H new ATOM 244 N VAL A 18 -10.528 7.238 1.185 1.00 0.00 N ATOM 245 CA VAL A 18 -10.843 5.823 1.099 1.00 0.00 C ATOM 246 C VAL A 18 -9.996 5.066 2.107 1.00 0.00 C ATOM 247 O VAL A 18 -8.782 5.258 2.186 1.00 0.00 O ATOM 248 CB VAL A 18 -10.568 5.301 -0.314 1.00 0.00 C ATOM 249 CG1 VAL A 18 -11.022 3.849 -0.439 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.289 6.135 -1.365 1.00 0.00 C ATOM 0 H VAL A 18 -9.562 7.454 0.941 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.900 5.673 1.320 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.494 5.372 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.821 3.490 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.479 3.235 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.091 3.783 -0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.072 5.737 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.363 6.097 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.948 7.169 -1.306 1.00 0.00 H new ATOM 260 N PHE A 19 -10.652 4.203 2.877 1.00 0.00 N ATOM 261 CA PHE A 19 -9.994 3.310 3.810 1.00 0.00 C ATOM 262 C PHE A 19 -9.921 1.925 3.166 1.00 0.00 C ATOM 263 O PHE A 19 -10.881 1.503 2.522 1.00 0.00 O ATOM 264 CB PHE A 19 -10.776 3.301 5.115 1.00 0.00 C ATOM 265 CG PHE A 19 -10.469 2.095 5.962 1.00 0.00 C ATOM 266 CD1 PHE A 19 -9.214 1.959 6.566 1.00 0.00 C ATOM 267 CD2 PHE A 19 -11.446 1.107 6.125 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.941 0.820 7.329 1.00 0.00 C ATOM 269 CE2 PHE A 19 -11.170 -0.030 6.892 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.915 -0.177 7.492 1.00 0.00 C ATOM 0 H PHE A 19 -11.667 4.107 2.866 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.979 3.636 4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.546 4.205 5.679 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.843 3.325 4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.464 2.726 6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.413 1.222 5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.974 0.707 7.796 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.924 -0.792 7.021 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.696 -1.056 8.080 1.00 0.00 H new ATOM 280 N ILE A 20 -8.795 1.225 3.331 1.00 0.00 N ATOM 281 CA ILE A 20 -8.579 -0.073 2.704 1.00 0.00 C ATOM 282 C ILE A 20 -8.012 -1.034 3.744 1.00 0.00 C ATOM 283 O ILE A 20 -6.823 -0.989 4.060 1.00 0.00 O ATOM 284 CB ILE A 20 -7.625 0.087 1.510 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.132 1.158 0.531 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.483 -1.252 0.780 1.00 0.00 C ATOM 287 CD1 ILE A 20 -7.053 1.556 -0.479 1.00 0.00 C ATOM 0 H ILE A 20 -8.013 1.545 3.902 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.519 -0.479 2.331 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.655 0.405 1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.006 0.782 0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.452 2.039 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.806 -1.135 -0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.082 -1.999 1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.460 -1.576 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.449 2.315 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.189 1.957 0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.752 0.680 -1.054 1.00 0.00 H new ATOM 299 N GLY A 21 -8.873 -1.905 4.275 1.00 0.00 N ATOM 300 CA GLY A 21 -8.517 -2.848 5.329 1.00 0.00 C ATOM 301 C GLY A 21 -8.274 -4.258 4.797 1.00 0.00 C ATOM 302 O GLY A 21 -8.614 -4.567 3.657 1.00 0.00 O ATOM 0 H GLY A 21 -9.847 -1.973 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.620 -2.496 5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.315 -2.876 6.071 1.00 0.00 H new ATOM 306 N ASN A 22 -7.682 -5.112 5.642 1.00 0.00 N ATOM 307 CA ASN A 22 -7.397 -6.511 5.349 1.00 0.00 C ATOM 308 C ASN A 22 -6.556 -6.684 4.076 1.00 0.00 C ATOM 309 O ASN A 22 -6.594 -7.733 3.433 1.00 0.00 O ATOM 310 CB ASN A 22 -8.697 -7.321 5.317 1.00 0.00 C ATOM 311 CG ASN A 22 -8.431 -8.820 5.357 1.00 0.00 C ATOM 312 OD1 ASN A 22 -7.863 -9.330 6.318 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.836 -9.541 4.314 1.00 0.00 N ATOM 0 H ASN A 22 -7.381 -4.833 6.576 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.780 -6.907 6.156 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.321 -7.040 6.165 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.256 -7.075 4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.677 -10.548 4.298 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.305 -9.086 3.531 1.00 0.00 H new ATOM 320 N LEU A 23 -5.795 -5.653 3.704 1.00 0.00 N ATOM 321 CA LEU A 23 -5.056 -5.608 2.453 1.00 0.00 C ATOM 322 C LEU A 23 -3.886 -6.596 2.440 1.00 0.00 C ATOM 323 O LEU A 23 -3.293 -6.900 3.473 1.00 0.00 O ATOM 324 CB LEU A 23 -4.604 -4.160 2.229 1.00 0.00 C ATOM 325 CG LEU A 23 -3.917 -3.919 0.879 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.819 -4.288 -0.297 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.585 -2.436 0.775 1.00 0.00 C ATOM 0 H LEU A 23 -5.677 -4.817 4.276 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.698 -5.921 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.471 -3.504 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.919 -3.877 3.028 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.025 -4.544 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.292 -4.101 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.085 -5.343 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.725 -3.683 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.095 -2.239 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.503 -1.852 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.919 -2.154 1.591 1.00 0.00 H new ATOM 339 N ASN A 24 -3.562 -7.091 1.240 1.00 0.00 N ATOM 340 CA ASN A 24 -2.448 -7.987 0.966 1.00 0.00 C ATOM 341 C ASN A 24 -1.118 -7.226 0.969 1.00 0.00 C ATOM 342 O ASN A 24 -0.388 -7.226 -0.021 1.00 0.00 O ATOM 343 CB ASN A 24 -2.716 -8.658 -0.382 1.00 0.00 C ATOM 344 CG ASN A 24 -3.060 -7.620 -1.439 1.00 0.00 C ATOM 345 OD1 ASN A 24 -4.221 -7.284 -1.631 1.00 0.00 O ATOM 346 ND2 ASN A 24 -2.052 -7.101 -2.133 1.00 0.00 N ATOM 0 H ASN A 24 -4.096 -6.864 0.401 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.366 -8.746 1.745 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.838 -9.224 -0.693 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.536 -9.370 -0.283 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.235 -6.400 -2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.096 -7.404 -1.947 1.00 0.00 H new ATOM 353 N THR A 25 -0.801 -6.570 2.085 1.00 0.00 N ATOM 354 CA THR A 25 0.338 -5.667 2.185 1.00 0.00 C ATOM 355 C THR A 25 1.694 -6.351 2.035 1.00 0.00 C ATOM 356 O THR A 25 2.722 -5.688 2.173 1.00 0.00 O ATOM 357 CB THR A 25 0.255 -4.886 3.498 1.00 0.00 C ATOM 358 OG1 THR A 25 0.383 -5.766 4.597 1.00 0.00 O ATOM 359 CG2 THR A 25 -1.104 -4.198 3.595 1.00 0.00 C ATOM 0 H THR A 25 -1.334 -6.653 2.951 1.00 0.00 H new ATOM 0 HA THR A 25 0.274 -4.984 1.338 1.00 0.00 H new ATOM 0 HB THR A 25 1.059 -4.150 3.517 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.329 -5.979 4.737 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.164 -3.641 4.530 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.226 -3.513 2.756 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.894 -4.948 3.568 1.00 0.00 H new ATOM 367 N LEU A 26 1.738 -7.660 1.757 1.00 0.00 N ATOM 368 CA LEU A 26 2.998 -8.346 1.515 1.00 0.00 C ATOM 369 C LEU A 26 3.407 -8.254 0.047 1.00 0.00 C ATOM 370 O LEU A 26 4.559 -8.518 -0.293 1.00 0.00 O ATOM 371 CB LEU A 26 2.903 -9.826 1.894 1.00 0.00 C ATOM 372 CG LEU A 26 2.338 -10.106 3.287 1.00 0.00 C ATOM 373 CD1 LEU A 26 2.755 -11.531 3.649 1.00 0.00 C ATOM 374 CD2 LEU A 26 2.858 -9.139 4.347 1.00 0.00 C ATOM 0 H LEU A 26 0.914 -8.258 1.696 1.00 0.00 H new ATOM 0 HA LEU A 26 3.746 -7.853 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.280 -10.334 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.898 -10.266 1.828 1.00 0.00 H new ATOM 0 HG LEU A 26 1.256 -9.979 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.375 -11.781 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.346 -12.227 2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.843 -11.603 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.421 -9.389 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.944 -9.216 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.582 -8.120 4.077 1.00 0.00 H new ATOM 386 N VAL A 27 2.461 -7.885 -0.822 1.00 0.00 N ATOM 387 CA VAL A 27 2.689 -7.853 -2.261 1.00 0.00 C ATOM 388 C VAL A 27 2.293 -6.500 -2.836 1.00 0.00 C ATOM 389 O VAL A 27 2.761 -6.133 -3.911 1.00 0.00 O ATOM 390 CB VAL A 27 1.893 -8.989 -2.916 1.00 0.00 C ATOM 391 CG1 VAL A 27 2.179 -9.070 -4.417 1.00 0.00 C ATOM 392 CG2 VAL A 27 2.258 -10.337 -2.293 1.00 0.00 C ATOM 0 H VAL A 27 1.521 -7.602 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 27 3.750 -7.996 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 27 0.837 -8.772 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.601 -9.884 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.898 -8.130 -4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.242 -9.254 -4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.681 -11.128 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.322 -10.527 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.031 -10.319 -1.227 1.00 0.00 H new ATOM 402 N VAL A 28 1.441 -5.748 -2.135 1.00 0.00 N ATOM 403 CA VAL A 28 1.070 -4.419 -2.590 1.00 0.00 C ATOM 404 C VAL A 28 2.100 -3.402 -2.109 1.00 0.00 C ATOM 405 O VAL A 28 2.796 -3.634 -1.121 1.00 0.00 O ATOM 406 CB VAL A 28 -0.349 -4.077 -2.118 1.00 0.00 C ATOM 407 CG1 VAL A 28 -0.334 -3.150 -0.908 1.00 0.00 C ATOM 408 CG2 VAL A 28 -1.130 -3.408 -3.241 1.00 0.00 C ATOM 0 H VAL A 28 1.003 -6.038 -1.261 1.00 0.00 H new ATOM 0 HA VAL A 28 1.063 -4.390 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.828 -5.013 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.358 -2.931 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.193 -3.634 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.174 -2.221 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.135 -3.170 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.623 -2.491 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.191 -4.084 -4.094 1.00 0.00 H new ATOM 418 N LYS A 29 2.189 -2.273 -2.814 1.00 0.00 N ATOM 419 CA LYS A 29 3.055 -1.160 -2.454 1.00 0.00 C ATOM 420 C LYS A 29 2.316 0.142 -2.732 1.00 0.00 C ATOM 421 O LYS A 29 1.232 0.134 -3.317 1.00 0.00 O ATOM 422 CB LYS A 29 4.391 -1.215 -3.209 1.00 0.00 C ATOM 423 CG LYS A 29 4.297 -1.897 -4.576 1.00 0.00 C ATOM 424 CD LYS A 29 4.660 -3.376 -4.443 1.00 0.00 C ATOM 425 CE LYS A 29 4.314 -4.103 -5.735 1.00 0.00 C ATOM 426 NZ LYS A 29 4.789 -5.497 -5.707 1.00 0.00 N ATOM 0 H LYS A 29 1.651 -2.108 -3.664 1.00 0.00 H new ATOM 0 HA LYS A 29 3.297 -1.223 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.764 -0.200 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.122 -1.745 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.288 -1.795 -4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.969 -1.410 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.723 -3.482 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.119 -3.820 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.235 -4.087 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.762 -3.581 -6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.740 -5.900 -6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.773 -5.522 -5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.190 -6.055 -5.066 1.00 0.00 H new ATOM 440 N LYS A 30 2.896 1.272 -2.319 1.00 0.00 N ATOM 441 CA LYS A 30 2.272 2.571 -2.530 1.00 0.00 C ATOM 442 C LYS A 30 2.069 2.836 -4.017 1.00 0.00 C ATOM 443 O LYS A 30 1.125 3.526 -4.392 1.00 0.00 O ATOM 444 CB LYS A 30 3.153 3.647 -1.902 1.00 0.00 C ATOM 445 CG LYS A 30 2.535 5.013 -2.177 1.00 0.00 C ATOM 446 CD LYS A 30 3.278 6.099 -1.413 1.00 0.00 C ATOM 447 CE LYS A 30 2.629 7.445 -1.730 1.00 0.00 C ATOM 448 NZ LYS A 30 3.271 8.540 -0.981 1.00 0.00 N ATOM 0 H LYS A 30 3.795 1.309 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 30 1.290 2.585 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.241 3.482 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.160 3.599 -2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.568 5.225 -3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.485 5.009 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.239 5.903 -0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.330 6.110 -1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.701 7.643 -2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.568 7.406 -1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.808 9.441 -1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.181 8.362 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.278 8.591 -1.236 1.00 0.00 H new ATOM 462 N SER A 31 2.946 2.285 -4.858 1.00 0.00 N ATOM 463 CA SER A 31 2.904 2.479 -6.297 1.00 0.00 C ATOM 464 C SER A 31 1.850 1.580 -6.941 1.00 0.00 C ATOM 465 O SER A 31 1.559 1.722 -8.127 1.00 0.00 O ATOM 466 CB SER A 31 4.288 2.217 -6.885 1.00 0.00 C ATOM 467 OG SER A 31 4.714 0.911 -6.561 1.00 0.00 O ATOM 0 H SER A 31 3.712 1.686 -4.549 1.00 0.00 H new ATOM 0 HA SER A 31 2.621 3.510 -6.509 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.261 2.341 -7.968 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.000 2.946 -6.498 1.00 0.00 H new ATOM 0 HG SER A 31 5.602 0.752 -6.944 1.00 0.00 H new ATOM 473 N ASP A 32 1.273 0.656 -6.164 1.00 0.00 N ATOM 474 CA ASP A 32 0.202 -0.202 -6.631 1.00 0.00 C ATOM 475 C ASP A 32 -1.142 0.363 -6.187 1.00 0.00 C ATOM 476 O ASP A 32 -2.102 0.337 -6.953 1.00 0.00 O ATOM 477 CB ASP A 32 0.407 -1.616 -6.078 1.00 0.00 C ATOM 478 CG ASP A 32 1.329 -2.460 -6.956 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.192 -1.870 -7.644 1.00 0.00 O ATOM 480 OD2 ASP A 32 1.161 -3.701 -6.928 1.00 0.00 O ATOM 0 H ASP A 32 1.543 0.490 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 32 0.212 -0.246 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.825 -1.553 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.560 -2.112 -5.990 1.00 0.00 H new ATOM 485 N VAL A 33 -1.231 0.882 -4.958 1.00 0.00 N ATOM 486 CA VAL A 33 -2.497 1.413 -4.464 1.00 0.00 C ATOM 487 C VAL A 33 -2.858 2.693 -5.217 1.00 0.00 C ATOM 488 O VAL A 33 -4.037 2.967 -5.440 1.00 0.00 O ATOM 489 CB VAL A 33 -2.422 1.628 -2.948 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.739 2.197 -2.423 1.00 0.00 C ATOM 491 CG2 VAL A 33 -2.167 0.294 -2.246 1.00 0.00 C ATOM 0 H VAL A 33 -0.454 0.944 -4.300 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.295 0.693 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.610 2.326 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.668 2.343 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.941 3.153 -2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.549 1.501 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.115 0.454 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.979 -0.397 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.225 -0.127 -2.596 1.00 0.00 H new ATOM 501 N GLU A 34 -1.861 3.489 -5.623 1.00 0.00 N ATOM 502 CA GLU A 34 -2.122 4.680 -6.423 1.00 0.00 C ATOM 503 C GLU A 34 -2.334 4.322 -7.896 1.00 0.00 C ATOM 504 O GLU A 34 -2.490 5.210 -8.734 1.00 0.00 O ATOM 505 CB GLU A 34 -1.026 5.725 -6.229 1.00 0.00 C ATOM 506 CG GLU A 34 0.280 5.354 -6.939 1.00 0.00 C ATOM 507 CD GLU A 34 1.367 6.401 -6.693 1.00 0.00 C ATOM 508 OE1 GLU A 34 1.009 7.575 -6.438 1.00 0.00 O ATOM 509 OE2 GLU A 34 2.558 6.021 -6.763 1.00 0.00 O ATOM 0 H GLU A 34 -0.877 3.328 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.051 5.129 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.377 6.687 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.833 5.849 -5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.624 4.381 -6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.099 5.260 -8.010 1.00 0.00 H new ATOM 516 N ALA A 35 -2.340 3.024 -8.216 1.00 0.00 N ATOM 517 CA ALA A 35 -2.582 2.533 -9.562 1.00 0.00 C ATOM 518 C ALA A 35 -3.851 1.677 -9.625 1.00 0.00 C ATOM 519 O ALA A 35 -4.300 1.319 -10.710 1.00 0.00 O ATOM 520 CB ALA A 35 -1.358 1.738 -10.008 1.00 0.00 C ATOM 0 H ALA A 35 -2.174 2.283 -7.535 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.741 3.375 -10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.518 1.359 -11.017 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.481 2.385 -9.998 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.200 0.901 -9.328 1.00 0.00 H new ATOM 526 N ILE A 36 -4.427 1.349 -8.464 1.00 0.00 N ATOM 527 CA ILE A 36 -5.638 0.544 -8.364 1.00 0.00 C ATOM 528 C ILE A 36 -6.844 1.426 -8.034 1.00 0.00 C ATOM 529 O ILE A 36 -7.983 1.045 -8.305 1.00 0.00 O ATOM 530 CB ILE A 36 -5.402 -0.544 -7.310 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.345 -1.526 -7.827 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.686 -1.315 -6.988 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.730 -2.322 -6.675 1.00 0.00 C ATOM 0 H ILE A 36 -4.057 1.641 -7.559 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.863 0.065 -9.317 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.063 -0.057 -6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.798 -2.209 -8.545 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.563 -0.980 -8.355 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.475 -2.076 -6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.438 -0.625 -6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.060 -1.793 -7.893 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.983 -3.012 -7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.257 -1.637 -5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.511 -2.885 -6.164 1.00 0.00 H new ATOM 545 N PHE A 37 -6.599 2.604 -7.451 1.00 0.00 N ATOM 546 CA PHE A 37 -7.658 3.531 -7.072 1.00 0.00 C ATOM 547 C PHE A 37 -7.627 4.805 -7.919 1.00 0.00 C ATOM 548 O PHE A 37 -8.540 5.620 -7.830 1.00 0.00 O ATOM 549 CB PHE A 37 -7.537 3.823 -5.573 1.00 0.00 C ATOM 550 CG PHE A 37 -7.911 2.643 -4.700 1.00 0.00 C ATOM 551 CD1 PHE A 37 -7.067 1.525 -4.616 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.115 2.671 -3.978 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.431 0.430 -3.824 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.480 1.568 -3.190 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.638 0.450 -3.111 1.00 0.00 C ATOM 0 H PHE A 37 -5.660 2.937 -7.231 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.629 3.076 -7.266 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.513 4.121 -5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.177 4.669 -5.322 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.136 1.510 -5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.758 3.538 -4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.782 -0.431 -3.762 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.411 1.581 -2.644 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.919 -0.396 -2.501 1.00 0.00 H new ATOM 565 N SER A 38 -6.596 4.996 -8.745 1.00 0.00 N ATOM 566 CA SER A 38 -6.524 6.177 -9.600 1.00 0.00 C ATOM 567 C SER A 38 -7.469 6.045 -10.800 1.00 0.00 C ATOM 568 O SER A 38 -7.677 7.003 -11.540 1.00 0.00 O ATOM 569 CB SER A 38 -5.076 6.399 -10.032 1.00 0.00 C ATOM 570 OG SER A 38 -4.959 7.555 -10.836 1.00 0.00 O ATOM 0 H SER A 38 -5.809 4.354 -8.838 1.00 0.00 H new ATOM 0 HA SER A 38 -6.854 7.052 -9.040 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.441 6.498 -9.151 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.720 5.530 -10.585 1.00 0.00 H new ATOM 0 HG SER A 38 -5.806 7.716 -11.303 1.00 0.00 H new ATOM 576 N LYS A 39 -8.052 4.854 -10.998 1.00 0.00 N ATOM 577 CA LYS A 39 -9.008 4.604 -12.072 1.00 0.00 C ATOM 578 C LYS A 39 -10.420 5.056 -11.691 1.00 0.00 C ATOM 579 O LYS A 39 -11.318 5.022 -12.530 1.00 0.00 O ATOM 580 CB LYS A 39 -8.990 3.122 -12.449 1.00 0.00 C ATOM 581 CG LYS A 39 -9.498 2.263 -11.289 1.00 0.00 C ATOM 582 CD LYS A 39 -9.615 0.802 -11.714 1.00 0.00 C ATOM 583 CE LYS A 39 -10.188 0.003 -10.547 1.00 0.00 C ATOM 584 NZ LYS A 39 -10.452 -1.396 -10.929 1.00 0.00 N ATOM 0 H LYS A 39 -7.869 4.039 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.708 5.194 -12.938 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.612 2.958 -13.329 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.976 2.821 -12.714 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.818 2.348 -10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.469 2.629 -10.956 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.260 0.712 -12.588 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.638 0.411 -11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.490 0.027 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.112 0.469 -10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.993 -1.865 -10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.999 -1.417 -11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.550 -1.894 -11.069 1.00 0.00 H new ATOM 598 N TYR A 40 -10.612 5.473 -10.438 1.00 0.00 N ATOM 599 CA TYR A 40 -11.911 5.896 -9.926 1.00 0.00 C ATOM 600 C TYR A 40 -11.892 7.340 -9.433 1.00 0.00 C ATOM 601 O TYR A 40 -12.928 7.857 -9.019 1.00 0.00 O ATOM 602 CB TYR A 40 -12.353 4.937 -8.817 1.00 0.00 C ATOM 603 CG TYR A 40 -13.085 3.716 -9.328 1.00 0.00 C ATOM 604 CD1 TYR A 40 -14.221 3.878 -10.139 1.00 0.00 C ATOM 605 CD2 TYR A 40 -12.644 2.428 -8.986 1.00 0.00 C ATOM 606 CE1 TYR A 40 -14.912 2.754 -10.616 1.00 0.00 C ATOM 607 CE2 TYR A 40 -13.336 1.302 -9.459 1.00 0.00 C ATOM 608 CZ TYR A 40 -14.470 1.461 -10.278 1.00 0.00 C ATOM 609 OH TYR A 40 -15.138 0.366 -10.738 1.00 0.00 O ATOM 0 H TYR A 40 -9.863 5.526 -9.747 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.632 5.861 -10.743 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.476 4.616 -8.255 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.999 5.473 -8.121 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.563 4.870 -10.396 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.773 2.303 -8.360 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.783 2.881 -11.242 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.998 0.311 -9.194 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.698 -0.447 -10.411 1.00 0.00 H new ATOM 619 N GLY A 41 -10.736 8.005 -9.469 1.00 0.00 N ATOM 620 CA GLY A 41 -10.663 9.393 -9.052 1.00 0.00 C ATOM 621 C GLY A 41 -9.236 9.932 -9.053 1.00 0.00 C ATOM 622 O GLY A 41 -8.274 9.173 -9.172 1.00 0.00 O ATOM 0 H GLY A 41 -9.851 7.605 -9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.277 10.001 -9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.083 9.490 -8.051 1.00 0.00 H new ATOM 626 N LYS A 42 -9.109 11.254 -8.918 1.00 0.00 N ATOM 627 CA LYS A 42 -7.816 11.918 -8.840 1.00 0.00 C ATOM 628 C LYS A 42 -7.282 11.783 -7.421 1.00 0.00 C ATOM 629 O LYS A 42 -7.842 12.351 -6.484 1.00 0.00 O ATOM 630 CB LYS A 42 -7.977 13.392 -9.233 1.00 0.00 C ATOM 631 CG LYS A 42 -6.740 14.221 -8.870 1.00 0.00 C ATOM 632 CD LYS A 42 -5.466 13.703 -9.538 1.00 0.00 C ATOM 633 CE LYS A 42 -4.270 14.477 -8.978 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.004 14.011 -9.572 1.00 0.00 N ATOM 0 H LYS A 42 -9.904 11.891 -8.860 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.106 11.458 -9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.160 13.464 -10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.852 13.807 -8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.904 15.258 -9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.607 14.213 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.347 12.636 -9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.527 13.831 -10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.397 15.541 -9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.232 14.358 -7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.212 14.554 -9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.872 13.001 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.033 14.148 -10.603 1.00 0.00 H new ATOM 648 N ILE A 43 -6.193 11.029 -7.260 1.00 0.00 N ATOM 649 CA ILE A 43 -5.551 10.875 -5.967 1.00 0.00 C ATOM 650 C ILE A 43 -4.599 12.048 -5.756 1.00 0.00 C ATOM 651 O ILE A 43 -3.761 12.330 -6.613 1.00 0.00 O ATOM 652 CB ILE A 43 -4.836 9.518 -5.890 1.00 0.00 C ATOM 653 CG1 ILE A 43 -5.869 8.392 -6.048 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.109 9.394 -4.548 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.270 6.987 -5.908 1.00 0.00 C ATOM 0 H ILE A 43 -5.741 10.516 -8.017 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.290 10.885 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.101 9.441 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.652 8.521 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.344 8.480 -7.025 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.603 8.430 -4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.375 10.195 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.831 9.469 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.056 6.242 -6.031 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.507 6.839 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.820 6.880 -4.921 1.00 0.00 H new ATOM 667 N VAL A 44 -4.734 12.725 -4.615 1.00 0.00 N ATOM 668 CA VAL A 44 -3.881 13.850 -4.238 1.00 0.00 C ATOM 669 C VAL A 44 -3.107 13.530 -2.962 1.00 0.00 C ATOM 670 O VAL A 44 -2.420 14.388 -2.413 1.00 0.00 O ATOM 671 CB VAL A 44 -4.706 15.132 -4.085 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.171 15.611 -5.458 1.00 0.00 C ATOM 673 CG2 VAL A 44 -5.923 14.910 -3.189 1.00 0.00 C ATOM 0 H VAL A 44 -5.447 12.504 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.157 14.018 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.071 15.886 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.757 16.523 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.303 15.813 -6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.785 14.840 -5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.485 15.840 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.560 14.140 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.593 14.592 -2.200 1.00 0.00 H new ATOM 683 N GLY A 45 -3.219 12.287 -2.493 1.00 0.00 N ATOM 684 CA GLY A 45 -2.495 11.787 -1.337 1.00 0.00 C ATOM 685 C GLY A 45 -2.741 10.286 -1.217 1.00 0.00 C ATOM 686 O GLY A 45 -3.850 9.823 -1.462 1.00 0.00 O ATOM 0 H GLY A 45 -3.830 11.590 -2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.429 11.988 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.827 12.298 -0.433 1.00 0.00 H new ATOM 690 N CYS A 46 -1.724 9.515 -0.844 1.00 0.00 N ATOM 691 CA CYS A 46 -1.877 8.084 -0.647 1.00 0.00 C ATOM 692 C CYS A 46 -0.785 7.550 0.272 1.00 0.00 C ATOM 693 O CYS A 46 0.319 8.094 0.318 1.00 0.00 O ATOM 694 CB CYS A 46 -1.866 7.367 -2.000 1.00 0.00 C ATOM 695 SG CYS A 46 -0.378 7.816 -2.931 1.00 0.00 S ATOM 0 H CYS A 46 -0.781 9.864 -0.672 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.836 7.891 -0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.898 6.288 -1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.756 7.635 -2.570 1.00 0.00 H new ATOM 0 HG CYS A 46 -0.632 7.767 -4.205 1.00 0.00 H new ATOM 701 N SER A 47 -1.093 6.479 1.004 1.00 0.00 N ATOM 702 CA SER A 47 -0.142 5.849 1.905 1.00 0.00 C ATOM 703 C SER A 47 -0.504 4.380 2.107 1.00 0.00 C ATOM 704 O SER A 47 -1.647 3.978 1.895 1.00 0.00 O ATOM 705 CB SER A 47 -0.142 6.598 3.237 1.00 0.00 C ATOM 706 OG SER A 47 0.870 6.077 4.074 1.00 0.00 O ATOM 0 H SER A 47 -2.008 6.029 0.986 1.00 0.00 H new ATOM 0 HA SER A 47 0.858 5.893 1.474 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.024 7.662 3.067 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.114 6.500 3.721 1.00 0.00 H new ATOM 0 HG SER A 47 0.869 6.559 4.927 1.00 0.00 H new ATOM 712 N VAL A 48 0.475 3.571 2.520 1.00 0.00 N ATOM 713 CA VAL A 48 0.289 2.141 2.725 1.00 0.00 C ATOM 714 C VAL A 48 1.014 1.710 3.997 1.00 0.00 C ATOM 715 O VAL A 48 2.064 2.258 4.335 1.00 0.00 O ATOM 716 CB VAL A 48 0.795 1.363 1.504 1.00 0.00 C ATOM 717 CG1 VAL A 48 0.639 -0.144 1.699 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.018 1.765 0.253 1.00 0.00 C ATOM 0 H VAL A 48 1.421 3.895 2.721 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.772 1.922 2.843 1.00 0.00 H new ATOM 0 HB VAL A 48 1.851 1.605 1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.007 -0.665 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.212 -0.459 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.413 -0.384 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.391 1.203 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.040 1.548 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.148 2.832 0.071 1.00 0.00 H new ATOM 728 N HIS A 49 0.446 0.723 4.695 1.00 0.00 N ATOM 729 CA HIS A 49 0.947 0.251 5.977 1.00 0.00 C ATOM 730 C HIS A 49 0.805 -1.269 6.040 1.00 0.00 C ATOM 731 O HIS A 49 0.475 -1.897 5.036 1.00 0.00 O ATOM 732 CB HIS A 49 0.140 0.926 7.091 1.00 0.00 C ATOM 733 CG HIS A 49 -0.066 2.402 6.869 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.738 3.427 7.379 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.076 2.947 6.128 1.00 0.00 C ATOM 736 CE1 HIS A 49 0.187 4.565 6.921 1.00 0.00 C ATOM 737 NE2 HIS A 49 -0.901 4.308 6.175 1.00 0.00 N ATOM 0 H HIS A 49 -0.386 0.226 4.376 1.00 0.00 H new ATOM 0 HA HIS A 49 2.000 0.502 6.100 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.832 0.439 7.172 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.652 0.777 8.042 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.858 2.413 5.608 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.568 5.555 7.126 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.494 5.004 5.722 1.00 0.00 H new ATOM 745 N LYS A 50 1.049 -1.875 7.205 1.00 0.00 N ATOM 746 CA LYS A 50 0.839 -3.307 7.384 1.00 0.00 C ATOM 747 C LYS A 50 -0.642 -3.590 7.618 1.00 0.00 C ATOM 748 O LYS A 50 -1.254 -2.990 8.496 1.00 0.00 O ATOM 749 CB LYS A 50 1.671 -3.829 8.557 1.00 0.00 C ATOM 750 CG LYS A 50 3.113 -4.160 8.156 1.00 0.00 C ATOM 751 CD LYS A 50 3.144 -5.367 7.215 1.00 0.00 C ATOM 752 CE LYS A 50 4.574 -5.861 6.991 1.00 0.00 C ATOM 753 NZ LYS A 50 5.175 -6.373 8.236 1.00 0.00 N ATOM 0 H LYS A 50 1.392 -1.393 8.036 1.00 0.00 H new ATOM 0 HA LYS A 50 1.160 -3.824 6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.681 -3.082 9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.197 -4.722 8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.568 -3.298 7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.705 -4.370 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.540 -6.172 7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.696 -5.097 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.573 -6.648 6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.184 -5.046 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.988 -6.979 8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.494 -5.575 8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.468 -6.927 8.761 1.00 0.00 H new ATOM 767 N GLY A 51 -1.206 -4.505 6.828 1.00 0.00 N ATOM 768 CA GLY A 51 -2.596 -4.933 6.938 1.00 0.00 C ATOM 769 C GLY A 51 -3.617 -3.884 6.481 1.00 0.00 C ATOM 770 O GLY A 51 -4.788 -4.222 6.319 1.00 0.00 O ATOM 0 H GLY A 51 -0.697 -4.977 6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.733 -5.838 6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.802 -5.196 7.976 1.00 0.00 H new ATOM 774 N PHE A 52 -3.206 -2.628 6.267 1.00 0.00 N ATOM 775 CA PHE A 52 -4.126 -1.577 5.861 1.00 0.00 C ATOM 776 C PHE A 52 -3.434 -0.523 4.991 1.00 0.00 C ATOM 777 O PHE A 52 -2.207 -0.439 4.961 1.00 0.00 O ATOM 778 CB PHE A 52 -4.772 -0.944 7.087 1.00 0.00 C ATOM 779 CG PHE A 52 -3.875 -0.065 7.914 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.119 -0.613 8.959 1.00 0.00 C ATOM 781 CD2 PHE A 52 -3.812 1.304 7.639 1.00 0.00 C ATOM 782 CE1 PHE A 52 -2.283 0.213 9.722 1.00 0.00 C ATOM 783 CE2 PHE A 52 -2.987 2.129 8.408 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.215 1.585 9.446 1.00 0.00 C ATOM 0 H PHE A 52 -2.239 -2.322 6.371 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.908 -2.028 5.250 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.628 -0.354 6.760 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.158 -1.740 7.724 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.181 -1.669 9.176 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.399 1.723 6.835 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.692 -0.207 10.522 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.943 3.188 8.203 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.569 2.223 10.031 1.00 0.00 H new ATOM 794 N ALA A 53 -4.227 0.281 4.284 1.00 0.00 N ATOM 795 CA ALA A 53 -3.723 1.351 3.437 1.00 0.00 C ATOM 796 C ALA A 53 -4.743 2.485 3.338 1.00 0.00 C ATOM 797 O ALA A 53 -5.893 2.330 3.753 1.00 0.00 O ATOM 798 CB ALA A 53 -3.410 0.786 2.052 1.00 0.00 C ATOM 0 H ALA A 53 -5.244 0.204 4.286 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.812 1.760 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.032 1.582 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.657 0.003 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.318 0.369 1.615 1.00 0.00 H new ATOM 804 N PHE A 54 -4.320 3.621 2.784 1.00 0.00 N ATOM 805 CA PHE A 54 -5.175 4.793 2.661 1.00 0.00 C ATOM 806 C PHE A 54 -4.974 5.512 1.334 1.00 0.00 C ATOM 807 O PHE A 54 -3.885 5.508 0.761 1.00 0.00 O ATOM 808 CB PHE A 54 -4.908 5.759 3.815 1.00 0.00 C ATOM 809 CG PHE A 54 -5.771 5.489 5.025 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.120 5.870 5.001 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.235 4.868 6.165 1.00 0.00 C ATOM 812 CE1 PHE A 54 -7.940 5.627 6.105 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.059 4.617 7.270 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.409 4.995 7.236 1.00 0.00 C ATOM 0 H PHE A 54 -3.380 3.751 2.411 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.208 4.447 2.698 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.859 5.692 4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.080 6.780 3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.527 6.353 4.125 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.193 4.585 6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.978 5.925 6.087 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.655 4.133 8.147 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.043 4.797 8.088 1.00 0.00 H new ATOM 824 N VAL A 55 -6.051 6.139 0.855 1.00 0.00 N ATOM 825 CA VAL A 55 -6.056 6.948 -0.356 1.00 0.00 C ATOM 826 C VAL A 55 -6.878 8.203 -0.103 1.00 0.00 C ATOM 827 O VAL A 55 -7.933 8.142 0.524 1.00 0.00 O ATOM 828 CB VAL A 55 -6.628 6.143 -1.528 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.769 7.021 -2.768 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.713 4.967 -1.865 1.00 0.00 C ATOM 0 H VAL A 55 -6.962 6.094 1.312 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.037 7.234 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.609 5.774 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.177 6.430 -3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.440 7.852 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.791 7.409 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.134 4.406 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.727 5.341 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.625 4.314 -0.997 1.00 0.00 H new ATOM 840 N GLN A 56 -6.390 9.341 -0.596 1.00 0.00 N ATOM 841 CA GLN A 56 -7.035 10.631 -0.432 1.00 0.00 C ATOM 842 C GLN A 56 -7.354 11.211 -1.808 1.00 0.00 C ATOM 843 O GLN A 56 -6.452 11.495 -2.599 1.00 0.00 O ATOM 844 CB GLN A 56 -6.101 11.545 0.367 1.00 0.00 C ATOM 845 CG GLN A 56 -6.678 12.934 0.637 1.00 0.00 C ATOM 846 CD GLN A 56 -7.826 12.882 1.631 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.616 12.858 2.842 1.00 0.00 O ATOM 848 NE2 GLN A 56 -9.057 12.862 1.135 1.00 0.00 N ATOM 0 H GLN A 56 -5.521 9.387 -1.128 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.973 10.533 0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.868 11.068 1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.161 11.651 -0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.893 13.586 1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.026 13.372 -0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.200 12.883 0.125 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.860 12.826 1.763 1.00 0.00 H new ATOM 857 N TYR A 57 -8.646 11.383 -2.088 1.00 0.00 N ATOM 858 CA TYR A 57 -9.114 11.973 -3.329 1.00 0.00 C ATOM 859 C TYR A 57 -9.348 13.473 -3.153 1.00 0.00 C ATOM 860 O TYR A 57 -9.113 14.027 -2.080 1.00 0.00 O ATOM 861 CB TYR A 57 -10.410 11.297 -3.770 1.00 0.00 C ATOM 862 CG TYR A 57 -10.272 9.883 -4.281 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.340 9.578 -5.281 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.106 8.884 -3.766 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.283 8.284 -5.818 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.052 7.586 -4.297 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.150 7.287 -5.333 1.00 0.00 C ATOM 868 OH TYR A 57 -10.125 6.036 -5.858 1.00 0.00 O ATOM 0 H TYR A 57 -9.397 11.113 -1.452 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.351 11.825 -4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.101 11.293 -2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.866 11.903 -4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.664 10.341 -5.639 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.790 9.112 -2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.576 8.053 -6.601 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.704 6.817 -3.910 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.721 6.064 -6.750 1.00 0.00 H new ATOM 878 N VAL A 58 -9.815 14.124 -4.219 1.00 0.00 N ATOM 879 CA VAL A 58 -10.069 15.558 -4.216 1.00 0.00 C ATOM 880 C VAL A 58 -11.438 15.857 -3.610 1.00 0.00 C ATOM 881 O VAL A 58 -11.651 16.947 -3.083 1.00 0.00 O ATOM 882 CB VAL A 58 -9.982 16.088 -5.652 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.294 17.584 -5.718 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.570 15.883 -6.194 1.00 0.00 C ATOM 0 H VAL A 58 -10.027 13.669 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.318 16.058 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.714 15.539 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.223 17.925 -6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.303 17.762 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.579 18.132 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.514 16.261 -7.215 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.858 16.421 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.328 14.820 -6.187 1.00 0.00 H new ATOM 894 N ASN A 59 -12.371 14.900 -3.680 1.00 0.00 N ATOM 895 CA ASN A 59 -13.728 15.092 -3.182 1.00 0.00 C ATOM 896 C ASN A 59 -14.370 13.776 -2.736 1.00 0.00 C ATOM 897 O ASN A 59 -13.802 12.697 -2.901 1.00 0.00 O ATOM 898 CB ASN A 59 -14.570 15.759 -4.277 1.00 0.00 C ATOM 899 CG ASN A 59 -14.648 14.903 -5.528 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.130 13.776 -5.490 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.180 15.424 -6.651 1.00 0.00 N ATOM 0 H ASN A 59 -12.203 13.978 -4.082 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.685 15.733 -2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.576 15.944 -3.900 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.140 16.729 -4.526 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.215 14.885 -7.516 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.785 16.364 -6.651 1.00 0.00 H new ATOM 908 N GLU A 60 -15.573 13.890 -2.166 1.00 0.00 N ATOM 909 CA GLU A 60 -16.344 12.774 -1.630 1.00 0.00 C ATOM 910 C GLU A 60 -16.876 11.869 -2.735 1.00 0.00 C ATOM 911 O GLU A 60 -17.011 10.660 -2.548 1.00 0.00 O ATOM 912 CB GLU A 60 -17.495 13.373 -0.820 1.00 0.00 C ATOM 913 CG GLU A 60 -18.596 12.352 -0.542 1.00 0.00 C ATOM 914 CD GLU A 60 -19.645 12.928 0.404 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.441 13.773 -0.064 1.00 0.00 O ATOM 916 OE2 GLU A 60 -19.651 12.520 1.585 1.00 0.00 O ATOM 0 H GLU A 60 -16.047 14.787 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.707 12.148 -1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.111 13.757 0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.916 14.220 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.068 12.056 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.162 11.452 -0.106 1.00 0.00 H new ATOM 923 N ARG A 61 -17.177 12.456 -3.895 1.00 0.00 N ATOM 924 CA ARG A 61 -17.716 11.735 -5.037 1.00 0.00 C ATOM 925 C ARG A 61 -16.705 10.698 -5.527 1.00 0.00 C ATOM 926 O ARG A 61 -17.079 9.581 -5.874 1.00 0.00 O ATOM 927 CB ARG A 61 -18.071 12.796 -6.087 1.00 0.00 C ATOM 928 CG ARG A 61 -17.788 12.400 -7.538 1.00 0.00 C ATOM 929 CD ARG A 61 -18.702 11.273 -8.007 1.00 0.00 C ATOM 930 NE ARG A 61 -18.406 10.891 -9.391 1.00 0.00 N ATOM 931 CZ ARG A 61 -18.741 9.714 -9.931 1.00 0.00 C ATOM 932 NH1 ARG A 61 -19.376 8.789 -9.218 1.00 0.00 N ATOM 933 NH2 ARG A 61 -18.434 9.458 -11.199 1.00 0.00 N ATOM 0 H ARG A 61 -17.050 13.454 -4.064 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.612 11.165 -4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.130 13.036 -5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.516 13.707 -5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.921 13.268 -8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.748 12.088 -7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.581 10.408 -7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.742 11.589 -7.929 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.914 11.564 -9.978 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.615 8.972 -8.243 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.624 7.897 -9.646 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.945 10.158 -11.757 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.688 8.562 -11.614 1.00 0.00 H new ATOM 947 N ASN A 62 -15.423 11.064 -5.554 1.00 0.00 N ATOM 948 CA ASN A 62 -14.363 10.166 -5.988 1.00 0.00 C ATOM 949 C ASN A 62 -14.210 9.023 -4.983 1.00 0.00 C ATOM 950 O ASN A 62 -13.910 7.894 -5.369 1.00 0.00 O ATOM 951 CB ASN A 62 -13.063 10.973 -6.099 1.00 0.00 C ATOM 952 CG ASN A 62 -12.963 11.771 -7.394 1.00 0.00 C ATOM 953 OD1 ASN A 62 -11.935 11.752 -8.061 1.00 0.00 O ATOM 954 ND2 ASN A 62 -14.019 12.481 -7.777 1.00 0.00 N ATOM 0 H ASN A 62 -15.095 11.989 -5.276 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.604 9.731 -6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.993 11.656 -5.252 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.214 10.293 -6.032 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.983 13.023 -8.640 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.865 12.484 -7.208 1.00 0.00 H new ATOM 961 N ALA A 63 -14.416 9.302 -3.693 1.00 0.00 N ATOM 962 CA ALA A 63 -14.286 8.272 -2.675 1.00 0.00 C ATOM 963 C ALA A 63 -15.393 7.236 -2.807 1.00 0.00 C ATOM 964 O ALA A 63 -15.109 6.042 -2.720 1.00 0.00 O ATOM 965 CB ALA A 63 -14.289 8.899 -1.284 1.00 0.00 C ATOM 0 H ALA A 63 -14.670 10.224 -3.338 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.334 7.762 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.191 8.116 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.453 9.593 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.225 9.436 -1.129 1.00 0.00 H new ATOM 971 N ARG A 64 -16.645 7.653 -3.021 1.00 0.00 N ATOM 972 CA ARG A 64 -17.732 6.701 -3.192 1.00 0.00 C ATOM 973 C ARG A 64 -17.538 5.886 -4.470 1.00 0.00 C ATOM 974 O ARG A 64 -18.061 4.779 -4.574 1.00 0.00 O ATOM 975 CB ARG A 64 -19.078 7.428 -3.265 1.00 0.00 C ATOM 976 CG ARG A 64 -19.682 7.658 -1.879 1.00 0.00 C ATOM 977 CD ARG A 64 -19.017 8.805 -1.123 1.00 0.00 C ATOM 978 NE ARG A 64 -19.556 8.912 0.238 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.702 9.523 0.557 1.00 0.00 C ATOM 980 NH1 ARG A 64 -21.428 10.139 -0.374 1.00 0.00 N ATOM 981 NH2 ARG A 64 -21.133 9.519 1.815 1.00 0.00 N ATOM 0 H ARG A 64 -16.923 8.633 -3.078 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.727 6.032 -2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.945 8.387 -3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.772 6.845 -3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -20.747 7.867 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -19.592 6.743 -1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -17.940 8.643 -1.081 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.178 9.741 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 64 -19.018 8.490 0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -21.112 10.149 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -22.300 10.601 -0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.589 9.049 2.539 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -22.007 9.986 2.056 1.00 0.00 H new ATOM 995 N ALA A 65 -16.795 6.416 -5.446 1.00 0.00 N ATOM 996 CA ALA A 65 -16.572 5.718 -6.701 1.00 0.00 C ATOM 997 C ALA A 65 -15.698 4.488 -6.484 1.00 0.00 C ATOM 998 O ALA A 65 -15.950 3.443 -7.083 1.00 0.00 O ATOM 999 CB ALA A 65 -15.909 6.669 -7.694 1.00 0.00 C ATOM 0 H ALA A 65 -16.340 7.327 -5.384 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.530 5.385 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.740 6.150 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.558 7.528 -7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.955 7.009 -7.291 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.677 4.600 -5.630 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.804 3.472 -5.349 1.00 0.00 C ATOM 1007 C ALA A 66 -14.318 2.640 -4.176 1.00 0.00 C ATOM 1008 O ALA A 66 -14.062 1.437 -4.115 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.401 3.998 -5.081 1.00 0.00 C ATOM 0 H ALA A 66 -14.441 5.456 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.786 2.808 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.734 3.163 -4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.041 4.536 -5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.423 4.672 -4.225 1.00 0.00 H new ATOM 1015 N VAL A 67 -15.043 3.266 -3.248 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.643 2.571 -2.118 1.00 0.00 C ATOM 1017 C VAL A 67 -16.763 1.641 -2.592 1.00 0.00 C ATOM 1018 O VAL A 67 -17.091 0.680 -1.904 1.00 0.00 O ATOM 1019 CB VAL A 67 -16.126 3.592 -1.083 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -17.216 3.031 -0.171 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.932 4.020 -0.233 1.00 0.00 C ATOM 0 H VAL A 67 -15.228 4.269 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.896 1.940 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.557 4.437 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.522 3.795 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -18.075 2.731 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.830 2.165 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -15.257 4.748 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.513 3.149 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.172 4.469 -0.873 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.347 1.918 -3.759 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.335 1.036 -4.360 1.00 0.00 C ATOM 1033 C ALA A 68 -17.791 0.344 -5.612 1.00 0.00 C ATOM 1034 O ALA A 68 -18.432 -0.567 -6.138 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.596 1.838 -4.672 1.00 0.00 C ATOM 0 H ALA A 68 -17.147 2.755 -4.307 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.578 0.245 -3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.341 1.183 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.995 2.262 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.353 2.643 -5.366 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.619 0.765 -6.100 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.027 0.199 -7.301 1.00 0.00 C ATOM 1043 C GLY A 69 -15.002 -0.899 -7.021 1.00 0.00 C ATOM 1044 O GLY A 69 -14.804 -1.772 -7.863 1.00 0.00 O ATOM 0 H GLY A 69 -16.062 1.504 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.820 -0.208 -7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.547 0.996 -7.869 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.347 -0.870 -5.854 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.278 -1.813 -5.526 1.00 0.00 C ATOM 1050 C GLU A 70 -13.570 -2.613 -4.258 1.00 0.00 C ATOM 1051 O GLU A 70 -12.916 -3.622 -4.016 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.962 -1.046 -5.356 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.491 -0.392 -6.653 1.00 0.00 C ATOM 1054 CD GLU A 70 -11.007 -1.433 -7.658 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -9.830 -1.837 -7.546 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -11.805 -1.827 -8.537 1.00 0.00 O ATOM 0 H GLU A 70 -14.544 -0.194 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.205 -2.525 -6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.089 -0.279 -4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.192 -1.729 -4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.307 0.185 -7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.685 0.309 -6.437 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.541 -2.197 -3.443 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.835 -2.911 -2.210 1.00 0.00 C ATOM 1065 C ASP A 71 -15.220 -4.360 -2.504 1.00 0.00 C ATOM 1066 O ASP A 71 -16.061 -4.626 -3.362 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.940 -2.179 -1.454 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.400 -2.986 -0.240 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.509 -3.476 0.490 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.630 -3.105 -0.053 1.00 0.00 O ATOM 0 H ASP A 71 -15.127 -1.380 -3.615 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.944 -2.936 -1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.579 -1.203 -1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.785 -2.002 -2.119 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.598 -5.297 -1.780 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.882 -6.718 -1.914 1.00 0.00 C ATOM 1077 C GLY A 72 -14.123 -7.367 -3.069 1.00 0.00 C ATOM 1078 O GLY A 72 -14.452 -8.487 -3.462 1.00 0.00 O ATOM 0 H GLY A 72 -13.883 -5.084 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.623 -7.225 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.952 -6.857 -2.065 1.00 0.00 H new ATOM 1082 N ARG A 73 -13.112 -6.683 -3.622 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.346 -7.224 -4.743 1.00 0.00 C ATOM 1084 C ARG A 73 -11.126 -8.000 -4.258 1.00 0.00 C ATOM 1085 O ARG A 73 -10.684 -7.822 -3.126 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.948 -6.123 -5.728 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.682 -5.368 -5.306 1.00 0.00 C ATOM 1088 CD ARG A 73 -10.088 -4.632 -6.506 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.419 -5.569 -7.411 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.678 -5.203 -8.460 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.518 -3.918 -8.771 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -8.089 -6.136 -9.206 1.00 0.00 N ATOM 0 H ARG A 73 -12.810 -5.760 -3.311 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.991 -7.924 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.790 -6.564 -6.712 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.771 -5.415 -5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.919 -4.657 -4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.951 -6.066 -4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.877 -4.103 -7.041 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.377 -3.881 -6.162 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.526 -6.567 -7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.965 -3.197 -8.205 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.949 -3.655 -9.576 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.205 -7.123 -8.975 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.522 -5.864 -10.009 1.00 0.00 H new ATOM 1106 N MET A 74 -10.578 -8.856 -5.119 1.00 0.00 N ATOM 1107 CA MET A 74 -9.362 -9.587 -4.812 1.00 0.00 C ATOM 1108 C MET A 74 -8.147 -8.907 -5.429 1.00 0.00 C ATOM 1109 O MET A 74 -8.200 -8.439 -6.567 1.00 0.00 O ATOM 1110 CB MET A 74 -9.491 -11.042 -5.266 1.00 0.00 C ATOM 1111 CG MET A 74 -8.151 -11.757 -5.079 1.00 0.00 C ATOM 1112 SD MET A 74 -8.287 -13.551 -4.936 1.00 0.00 S ATOM 1113 CE MET A 74 -8.991 -13.601 -3.267 1.00 0.00 C ATOM 0 H MET A 74 -10.965 -9.057 -6.041 1.00 0.00 H new ATOM 0 HA MET A 74 -9.215 -9.586 -3.732 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.267 -11.546 -4.690 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.793 -11.082 -6.312 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.503 -11.519 -5.923 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.665 -11.368 -4.184 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.481 -14.365 -2.680 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.863 -12.630 -2.789 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.053 -13.838 -3.327 1.00 0.00 H new ATOM 1123 N ILE A 75 -7.056 -8.862 -4.663 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.767 -8.340 -5.093 1.00 0.00 C ATOM 1125 C ILE A 75 -4.681 -9.212 -4.471 1.00 0.00 C ATOM 1126 O ILE A 75 -4.759 -9.564 -3.298 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.615 -6.873 -4.658 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.812 -6.031 -5.128 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -4.305 -6.293 -5.199 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.736 -4.585 -4.638 1.00 0.00 C ATOM 0 H ILE A 75 -7.049 -9.198 -3.700 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.685 -8.366 -6.180 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.589 -6.841 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.854 -6.041 -6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.736 -6.485 -4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.210 -5.254 -4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.465 -6.868 -4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.307 -6.343 -6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.605 -4.033 -4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.722 -4.570 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.827 -4.119 -5.019 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.665 -9.567 -5.265 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.545 -10.400 -4.837 1.00 0.00 C ATOM 1144 C ALA A 76 -2.955 -11.717 -4.159 1.00 0.00 C ATOM 1145 O ALA A 76 -2.110 -12.382 -3.559 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.600 -9.577 -3.960 1.00 0.00 C ATOM 0 H ALA A 76 -3.601 -9.276 -6.240 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.024 -10.715 -5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.764 -10.200 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.223 -8.727 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.139 -9.216 -3.084 1.00 0.00 H new ATOM 1152 N GLY A 77 -4.235 -12.108 -4.236 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.708 -13.368 -3.680 1.00 0.00 C ATOM 1154 C GLY A 77 -5.554 -13.212 -2.415 1.00 0.00 C ATOM 1155 O GLY A 77 -5.994 -14.219 -1.861 1.00 0.00 O ATOM 0 H GLY A 77 -4.965 -11.555 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.296 -13.889 -4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.848 -13.999 -3.454 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.793 -11.981 -1.949 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.666 -11.734 -0.803 1.00 0.00 C ATOM 1161 C GLN A 78 -7.688 -10.654 -1.145 1.00 0.00 C ATOM 1162 O GLN A 78 -7.480 -9.866 -2.065 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.873 -11.309 0.437 1.00 0.00 C ATOM 1164 CG GLN A 78 -4.914 -12.383 0.954 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.465 -12.055 0.626 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -2.715 -11.600 1.490 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -3.050 -12.274 -0.616 1.00 0.00 N ATOM 0 H GLN A 78 -5.389 -11.136 -2.354 1.00 0.00 H new ATOM 0 HA GLN A 78 -7.176 -12.670 -0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.304 -10.409 0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.572 -11.046 1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.028 -12.483 2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.177 -13.346 0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.695 -12.652 -1.310 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.086 -12.064 -0.876 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.790 -10.620 -0.398 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.815 -9.597 -0.561 1.00 0.00 C ATOM 1178 C VAL A 79 -9.613 -8.510 0.483 1.00 0.00 C ATOM 1179 O VAL A 79 -9.198 -8.782 1.608 1.00 0.00 O ATOM 1180 CB VAL A 79 -11.219 -10.201 -0.461 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -12.307 -9.126 -0.551 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.437 -11.194 -1.602 1.00 0.00 C ATOM 0 H VAL A 79 -8.995 -11.300 0.334 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.722 -9.158 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.290 -10.697 0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.288 -9.594 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.182 -8.413 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.226 -8.605 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.437 -11.621 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.333 -10.679 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.696 -11.991 -1.537 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.915 -7.273 0.095 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.765 -6.104 0.942 1.00 0.00 C ATOM 1194 C LEU A 80 -11.125 -5.464 1.195 1.00 0.00 C ATOM 1195 O LEU A 80 -12.008 -5.479 0.340 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.752 -5.080 0.387 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.416 -5.124 -1.108 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.668 -6.399 -1.502 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.652 -4.933 -1.978 1.00 0.00 C ATOM 0 H LEU A 80 -10.277 -7.057 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.350 -6.443 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.130 -4.083 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.821 -5.201 0.940 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.746 -4.284 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.454 -6.380 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.732 -6.459 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.284 -7.268 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.366 -4.971 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.371 -5.725 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.104 -3.966 -1.760 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.273 -4.900 2.392 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.503 -4.274 2.835 1.00 0.00 C ATOM 1213 C ASP A 81 -12.359 -2.765 2.679 1.00 0.00 C ATOM 1214 O ASP A 81 -11.581 -2.140 3.399 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.740 -4.682 4.292 1.00 0.00 C ATOM 1216 CG ASP A 81 -14.010 -4.068 4.876 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -14.971 -3.860 4.102 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -14.008 -3.817 6.104 1.00 0.00 O ATOM 0 H ASP A 81 -10.527 -4.868 3.087 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.361 -4.592 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.804 -5.768 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.884 -4.378 4.894 1.00 0.00 H new ATOM 1223 N ILE A 82 -13.103 -2.177 1.740 1.00 0.00 N ATOM 1224 CA ILE A 82 -13.000 -0.760 1.443 1.00 0.00 C ATOM 1225 C ILE A 82 -14.296 -0.047 1.821 1.00 0.00 C ATOM 1226 O ILE A 82 -15.389 -0.544 1.555 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.686 -0.586 -0.044 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.394 -1.321 -0.427 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.568 0.898 -0.403 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.316 -1.491 -1.941 1.00 0.00 C ATOM 0 H ILE A 82 -13.789 -2.673 1.170 1.00 0.00 H new ATOM 0 HA ILE A 82 -12.195 -0.315 2.028 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.511 -1.021 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.529 -0.761 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.364 -2.297 0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.344 0.999 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.509 1.402 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.767 1.351 0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.396 -2.014 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.172 -2.070 -2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.324 -0.511 -2.418 1.00 0.00 H new ATOM 1242 N ASN A 83 -14.168 1.126 2.442 1.00 0.00 N ATOM 1243 CA ASN A 83 -15.299 1.958 2.818 1.00 0.00 C ATOM 1244 C ASN A 83 -14.810 3.386 3.032 1.00 0.00 C ATOM 1245 O ASN A 83 -13.605 3.627 3.076 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.998 1.397 4.063 1.00 0.00 C ATOM 1247 CG ASN A 83 -15.073 1.262 5.262 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -14.566 0.178 5.535 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -14.852 2.350 5.988 1.00 0.00 N ATOM 0 H ASN A 83 -13.265 1.524 2.698 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.040 1.960 2.019 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -16.832 2.048 4.327 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -16.419 0.420 3.826 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.243 2.303 6.805 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.291 3.233 5.730 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.736 4.338 3.164 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.344 5.721 3.380 1.00 0.00 C ATOM 1258 C LEU A 84 -14.615 5.823 4.714 1.00 0.00 C ATOM 1259 O LEU A 84 -14.921 5.076 5.643 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.567 6.634 3.379 1.00 0.00 C ATOM 1261 CG LEU A 84 -16.353 7.820 2.438 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.521 7.398 0.982 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -17.363 8.907 2.785 1.00 0.00 C ATOM 0 H LEU A 84 -16.742 4.176 3.125 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.685 6.039 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.447 6.071 3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.759 6.995 4.390 1.00 0.00 H new ATOM 0 HG LEU A 84 -15.338 8.197 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.364 8.260 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -15.792 6.624 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -17.527 7.008 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.222 9.760 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -18.374 8.517 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -17.217 9.223 3.818 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.659 6.742 4.822 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.816 6.836 6.005 1.00 0.00 C ATOM 1277 C ALA A 85 -13.578 7.293 7.247 1.00 0.00 C ATOM 1278 O ALA A 85 -13.006 7.327 8.337 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.664 7.782 5.702 1.00 0.00 C ATOM 0 H ALA A 85 -13.450 7.433 4.101 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.442 5.838 6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.021 7.865 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.086 7.394 4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.058 8.766 5.447 1.00 0.00 H new ATOM 1285 N ALA A 86 -14.858 7.636 7.094 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.706 8.052 8.198 1.00 0.00 C ATOM 1287 C ALA A 86 -17.005 7.247 8.231 1.00 0.00 C ATOM 1288 O ALA A 86 -17.922 7.596 8.974 1.00 0.00 O ATOM 1289 CB ALA A 86 -15.971 9.551 8.078 1.00 0.00 C ATOM 0 H ALA A 86 -15.333 7.631 6.191 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.198 7.857 9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.607 9.875 8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -15.025 10.092 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.470 9.758 7.131 1.00 0.00 H new