USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=19 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 89 ASN : amide:sc= 0.345 K(o=0.68,f=0) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.34 USER MOD Set 2.1: A 41 SER OG : rot 39:sc= 0.984 USER MOD Set 2.2: A 62 ASN :FLIP amide:sc= -0.0124 F(o=0.055,f=0.97) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 0.835 (180deg=0.72) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.0124 USER MOD Single : A 32 THR OG1 : rot 20:sc= 0.404 USER MOD Single : A 33 MET CE :methyl -162:sc= -2.23! (180deg=-3.51!) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 0.829 (180deg=0.556) USER MOD Single : A 35 ASN : amide:sc= 0.239 K(o=0.24,f=-1.1) USER MOD Single : A 40 CYS SG : rot 170:sc= -0.135 USER MOD Single : A 43 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 1.13 (180deg=1.11) USER MOD Single : A 52 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.099) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 160:sc= -0.86 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -170:sc= -0.423 USER MOD Single : A 60 SER OG : rot -160:sc= 0.585 USER MOD Single : A 63 THR OG1 : rot -32:sc= 0.125 USER MOD Single : A 69 THR OG1 : rot -62:sc= 1.25 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.0918 K(o=0.092,f=-4.8!) USER MOD Single : A 95 SER OG : rot 175:sc= 1.11 USER MOD Single : A 104 ASN : amide:sc= -0.607! K(o=-0.61!,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 25 8.822 13.482 7.717 1.00 0.00 N ATOM 2 CA PRO A 25 9.670 14.607 7.281 1.00 0.00 C ATOM 3 C PRO A 25 8.854 15.840 6.831 1.00 0.00 C ATOM 4 O PRO A 25 8.177 16.431 7.669 1.00 0.00 O ATOM 5 CB PRO A 25 10.641 13.996 6.263 1.00 0.00 C ATOM 6 CG PRO A 25 10.887 12.585 6.818 1.00 0.00 C ATOM 7 CD PRO A 25 9.782 12.367 7.858 1.00 0.00 C ATOM 0 HA PRO A 25 10.247 15.053 8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.210 13.966 5.262 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.566 14.569 6.194 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.838 11.836 6.027 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.875 12.506 7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.286 11.410 7.697 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.200 12.344 8.864 1.00 0.00 H new ATOM 15 N ALA A 26 8.854 16.213 5.540 1.00 0.00 N ATOM 16 CA ALA A 26 7.946 17.227 4.954 1.00 0.00 C ATOM 17 C ALA A 26 6.471 16.912 5.291 1.00 0.00 C ATOM 18 O ALA A 26 5.694 17.769 5.717 1.00 0.00 O ATOM 19 CB ALA A 26 8.173 17.239 3.437 1.00 0.00 C ATOM 0 H ALA A 26 9.497 15.813 4.856 1.00 0.00 H new ATOM 0 HA ALA A 26 8.162 18.210 5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.517 17.978 2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.211 17.495 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.952 16.253 3.028 1.00 0.00 H new ATOM 25 N LYS A 27 6.153 15.625 5.149 1.00 0.00 N ATOM 26 CA LYS A 27 4.990 14.897 5.654 1.00 0.00 C ATOM 27 C LYS A 27 5.532 13.609 6.249 1.00 0.00 C ATOM 28 O LYS A 27 6.658 13.192 5.970 1.00 0.00 O ATOM 29 CB LYS A 27 3.978 14.542 4.537 1.00 0.00 C ATOM 30 CG LYS A 27 2.555 15.016 4.864 1.00 0.00 C ATOM 31 CD LYS A 27 1.953 14.305 6.087 1.00 0.00 C ATOM 32 CE LYS A 27 0.432 14.327 6.137 1.00 0.00 C ATOM 33 NZ LYS A 27 -0.127 15.708 6.122 1.00 0.00 N ATOM 0 H LYS A 27 6.768 15.004 4.623 1.00 0.00 H new ATOM 0 HA LYS A 27 4.457 15.516 6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.302 14.994 3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.973 13.463 4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.568 16.091 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.913 14.846 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.290 13.269 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.342 14.772 6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.037 13.771 5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.095 13.814 7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.166 15.662 6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.212 16.229 6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.183 16.198 5.259 1.00 0.00 H new ATOM 47 N ARG A 28 4.739 12.977 7.093 1.00 0.00 N ATOM 48 CA ARG A 28 4.922 11.582 7.462 1.00 0.00 C ATOM 49 C ARG A 28 3.543 10.999 7.687 1.00 0.00 C ATOM 50 O ARG A 28 2.675 11.635 8.286 1.00 0.00 O ATOM 51 CB ARG A 28 5.886 11.363 8.625 1.00 0.00 C ATOM 52 CG ARG A 28 5.433 11.828 10.023 1.00 0.00 C ATOM 53 CD ARG A 28 5.950 10.837 11.065 1.00 0.00 C ATOM 54 NE ARG A 28 5.166 9.574 11.017 1.00 0.00 N ATOM 55 CZ ARG A 28 5.509 8.420 10.472 1.00 0.00 C ATOM 56 NH1 ARG A 28 6.729 8.145 10.111 1.00 0.00 N ATOM 57 NH2 ARG A 28 4.605 7.520 10.235 1.00 0.00 N ATOM 0 H ARG A 28 3.941 13.420 7.548 1.00 0.00 H new ATOM 0 HA ARG A 28 5.422 11.051 6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.109 10.297 8.681 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.820 11.872 8.388 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.816 12.827 10.230 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.346 11.888 10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.004 10.625 10.883 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.881 11.277 12.060 1.00 0.00 H new ATOM 0 HE ARG A 28 4.248 9.602 11.461 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.468 8.835 10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.946 7.240 9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.629 7.703 10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.870 6.629 9.814 1.00 0.00 H new ATOM 71 N TYR A 29 3.336 9.822 7.140 1.00 0.00 N ATOM 72 CA TYR A 29 2.086 9.107 7.254 1.00 0.00 C ATOM 73 C TYR A 29 2.369 7.607 7.202 1.00 0.00 C ATOM 74 O TYR A 29 3.396 7.163 6.682 1.00 0.00 O ATOM 75 CB TYR A 29 1.131 9.522 6.123 1.00 0.00 C ATOM 76 CG TYR A 29 1.480 8.947 4.770 1.00 0.00 C ATOM 77 CD1 TYR A 29 1.115 7.613 4.495 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.140 9.723 3.798 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.462 7.009 3.277 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.388 9.148 2.541 1.00 0.00 C ATOM 81 CZ TYR A 29 2.071 7.787 2.288 1.00 0.00 C ATOM 82 OH TYR A 29 2.248 7.218 1.065 1.00 0.00 O ATOM 0 H TYR A 29 4.043 9.328 6.595 1.00 0.00 H new ATOM 0 HA TYR A 29 1.606 9.350 8.202 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.119 9.213 6.386 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.123 10.610 6.051 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.561 7.049 5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.448 10.735 4.014 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.262 5.961 3.107 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.825 9.748 1.757 1.00 0.00 H new ATOM 0 HH TYR A 29 1.538 6.562 0.904 1.00 0.00 H new ATOM 92 N ARG A 30 1.385 6.838 7.637 1.00 0.00 N ATOM 93 CA ARG A 30 1.274 5.399 7.480 1.00 0.00 C ATOM 94 C ARG A 30 -0.152 5.130 6.997 1.00 0.00 C ATOM 95 O ARG A 30 -1.101 5.726 7.509 1.00 0.00 O ATOM 96 CB ARG A 30 1.621 4.745 8.821 1.00 0.00 C ATOM 97 CG ARG A 30 1.784 3.219 8.852 1.00 0.00 C ATOM 98 CD ARG A 30 2.928 2.761 7.940 1.00 0.00 C ATOM 99 NE ARG A 30 3.809 1.739 8.537 1.00 0.00 N ATOM 100 CZ ARG A 30 4.716 1.910 9.485 1.00 0.00 C ATOM 101 NH1 ARG A 30 5.022 3.080 9.965 1.00 0.00 N ATOM 102 NH2 ARG A 30 5.365 0.898 9.987 1.00 0.00 N ATOM 0 H ARG A 30 0.590 7.229 8.143 1.00 0.00 H new ATOM 0 HA ARG A 30 1.962 4.974 6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.550 5.188 9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.843 5.013 9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.978 2.893 9.874 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.854 2.746 8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.505 2.365 7.017 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.530 3.628 7.668 1.00 0.00 H new ATOM 0 HE ARG A 30 3.707 0.790 8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.555 3.915 9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.728 3.162 10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.177 -0.046 9.650 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.061 1.050 10.717 1.00 0.00 H new ATOM 116 N ILE A 31 -0.301 4.274 6.000 1.00 0.00 N ATOM 117 CA ILE A 31 -1.589 3.721 5.563 1.00 0.00 C ATOM 118 C ILE A 31 -1.590 2.233 5.828 1.00 0.00 C ATOM 119 O ILE A 31 -0.525 1.636 5.857 1.00 0.00 O ATOM 120 CB ILE A 31 -1.910 3.958 4.065 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.886 3.320 3.124 1.00 0.00 C ATOM 122 CG2 ILE A 31 -2.069 5.440 3.767 1.00 0.00 C ATOM 123 CD1 ILE A 31 -1.307 3.320 1.651 1.00 0.00 C ATOM 0 H ILE A 31 0.487 3.930 5.452 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.359 4.244 6.130 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.860 3.459 3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.061 3.851 3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.708 2.292 3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.294 5.576 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.884 5.846 4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.144 5.962 4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.528 2.851 1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.237 2.763 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.456 4.346 1.315 1.00 0.00 H new ATOM 135 N THR A 32 -2.777 1.653 5.911 1.00 0.00 N ATOM 136 CA THR A 32 -3.040 0.215 6.008 1.00 0.00 C ATOM 137 C THR A 32 -3.755 -0.242 4.756 1.00 0.00 C ATOM 138 O THR A 32 -4.591 0.484 4.209 1.00 0.00 O ATOM 139 CB THR A 32 -3.938 -0.063 7.216 1.00 0.00 C ATOM 140 OG1 THR A 32 -3.161 0.050 8.391 1.00 0.00 O ATOM 141 CG2 THR A 32 -4.560 -1.457 7.275 1.00 0.00 C ATOM 0 H THR A 32 -3.637 2.201 5.913 1.00 0.00 H new ATOM 0 HA THR A 32 -2.096 -0.319 6.120 1.00 0.00 H new ATOM 0 HB THR A 32 -4.748 0.660 7.126 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.354 0.572 8.200 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.175 -1.543 8.170 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.179 -1.617 6.392 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.770 -2.207 7.304 1.00 0.00 H new ATOM 149 N MET A 33 -3.441 -1.466 4.325 1.00 0.00 N ATOM 150 CA MET A 33 -4.006 -2.101 3.146 1.00 0.00 C ATOM 151 C MET A 33 -4.352 -3.568 3.396 1.00 0.00 C ATOM 152 O MET A 33 -3.486 -4.374 3.728 1.00 0.00 O ATOM 153 CB MET A 33 -3.037 -1.981 1.959 1.00 0.00 C ATOM 154 CG MET A 33 -2.482 -0.560 1.780 1.00 0.00 C ATOM 155 SD MET A 33 -1.809 -0.070 0.170 1.00 0.00 S ATOM 156 CE MET A 33 -1.066 -1.637 -0.291 1.00 0.00 C ATOM 0 H MET A 33 -2.764 -2.057 4.807 1.00 0.00 H new ATOM 0 HA MET A 33 -4.934 -1.580 2.909 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.208 -2.674 2.102 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.550 -2.283 1.046 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.282 0.138 2.028 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.695 -0.419 2.521 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.337 -1.474 -1.085 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.568 -2.072 0.575 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.841 -2.317 -0.644 1.00 0.00 H new ATOM 166 N LYS A 34 -5.621 -3.934 3.235 1.00 0.00 N ATOM 167 CA LYS A 34 -6.108 -5.298 3.477 1.00 0.00 C ATOM 168 C LYS A 34 -7.415 -5.586 2.834 1.00 0.00 C ATOM 169 O LYS A 34 -8.140 -4.653 2.528 1.00 0.00 O ATOM 170 CB LYS A 34 -6.481 -5.543 4.957 1.00 0.00 C ATOM 171 CG LYS A 34 -6.651 -4.376 5.938 1.00 0.00 C ATOM 172 CD LYS A 34 -8.012 -3.712 5.657 1.00 0.00 C ATOM 173 CE LYS A 34 -8.315 -2.567 6.626 1.00 0.00 C ATOM 174 NZ LYS A 34 -9.509 -1.807 6.188 1.00 0.00 N ATOM 0 H LYS A 34 -6.350 -3.289 2.930 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.282 -5.901 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.417 -6.101 4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.717 -6.200 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.607 -4.734 6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.843 -3.655 5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.024 -3.332 4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.800 -4.462 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.480 -2.966 7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.456 -1.899 6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.867 -1.236 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.252 -1.181 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.248 -2.470 5.878 1.00 0.00 H new ATOM 188 N ASN A 35 -7.732 -6.876 2.812 1.00 0.00 N ATOM 189 CA ASN A 35 -9.096 -7.349 2.697 1.00 0.00 C ATOM 190 C ASN A 35 -9.176 -8.881 2.880 1.00 0.00 C ATOM 191 O ASN A 35 -8.161 -9.566 2.769 1.00 0.00 O ATOM 192 CB ASN A 35 -9.745 -6.736 1.449 1.00 0.00 C ATOM 193 CG ASN A 35 -10.981 -7.418 0.903 1.00 0.00 C ATOM 194 OD1 ASN A 35 -12.003 -7.547 1.558 1.00 0.00 O ATOM 195 ND2 ASN A 35 -10.900 -7.883 -0.320 1.00 0.00 N ATOM 0 H ASN A 35 -7.041 -7.624 2.874 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.719 -6.995 3.518 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.003 -5.702 1.677 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.996 -6.711 0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.698 -8.361 -0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.039 -7.767 -0.854 1.00 0.00 H new ATOM 202 N LEU A 36 -10.361 -9.421 3.187 1.00 0.00 N ATOM 203 CA LEU A 36 -10.582 -10.814 3.614 1.00 0.00 C ATOM 204 C LEU A 36 -9.879 -11.923 2.781 1.00 0.00 C ATOM 205 O LEU A 36 -9.340 -12.846 3.403 1.00 0.00 O ATOM 206 CB LEU A 36 -12.104 -11.039 3.747 1.00 0.00 C ATOM 207 CG LEU A 36 -12.528 -12.423 4.280 1.00 0.00 C ATOM 208 CD1 LEU A 36 -12.026 -12.687 5.698 1.00 0.00 C ATOM 209 CD2 LEU A 36 -14.055 -12.513 4.285 1.00 0.00 C ATOM 0 H LEU A 36 -11.226 -8.883 3.144 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.083 -10.926 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.510 -10.274 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.562 -10.890 2.769 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.085 -13.170 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.354 -13.675 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.937 -12.643 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.429 -11.932 6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.361 -13.489 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.463 -11.733 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.431 -12.381 3.270 1.00 0.00 H new ATOM 221 N PRO A 37 -9.830 -11.878 1.436 1.00 0.00 N ATOM 222 CA PRO A 37 -9.097 -12.851 0.615 1.00 0.00 C ATOM 223 C PRO A 37 -7.565 -12.824 0.762 1.00 0.00 C ATOM 224 O PRO A 37 -6.898 -13.678 0.174 1.00 0.00 O ATOM 225 CB PRO A 37 -9.461 -12.536 -0.843 1.00 0.00 C ATOM 226 CG PRO A 37 -10.725 -11.691 -0.746 1.00 0.00 C ATOM 227 CD PRO A 37 -10.508 -10.943 0.554 1.00 0.00 C ATOM 0 HA PRO A 37 -9.389 -13.847 0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.659 -11.994 -1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.636 -13.448 -1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.828 -11.014 -1.594 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.625 -12.305 -0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.907 -10.048 0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.456 -10.618 0.982 1.00 0.00 H new ATOM 235 N GLU A 38 -6.985 -11.867 1.498 1.00 0.00 N ATOM 236 CA GLU A 38 -5.541 -11.610 1.487 1.00 0.00 C ATOM 237 C GLU A 38 -4.842 -11.396 2.825 1.00 0.00 C ATOM 238 O GLU A 38 -5.341 -10.742 3.744 1.00 0.00 O ATOM 239 CB GLU A 38 -5.244 -10.354 0.638 1.00 0.00 C ATOM 240 CG GLU A 38 -4.956 -10.665 -0.824 1.00 0.00 C ATOM 241 CD GLU A 38 -3.716 -11.551 -1.077 1.00 0.00 C ATOM 242 OE1 GLU A 38 -3.018 -11.969 -0.123 1.00 0.00 O ATOM 243 OE2 GLU A 38 -3.460 -11.850 -2.270 1.00 0.00 O ATOM 0 H GLU A 38 -7.506 -11.248 2.119 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.142 -12.541 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.095 -9.676 0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.389 -9.830 1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.828 -11.158 -1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.826 -9.725 -1.360 1.00 0.00 H new ATOM 250 N GLY A 39 -3.594 -11.864 2.835 1.00 0.00 N ATOM 251 CA GLY A 39 -2.557 -11.584 3.828 1.00 0.00 C ATOM 252 C GLY A 39 -1.394 -10.806 3.182 1.00 0.00 C ATOM 253 O GLY A 39 -0.626 -10.137 3.874 1.00 0.00 O ATOM 0 H GLY A 39 -3.259 -12.489 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.978 -11.006 4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.188 -12.518 4.252 1.00 0.00 H new ATOM 257 N CYS A 40 -1.289 -10.847 1.846 1.00 0.00 N ATOM 258 CA CYS A 40 -0.173 -10.370 1.038 1.00 0.00 C ATOM 259 C CYS A 40 1.202 -10.749 1.646 1.00 0.00 C ATOM 260 O CYS A 40 1.350 -11.745 2.364 1.00 0.00 O ATOM 261 CB CYS A 40 -0.346 -8.856 0.783 1.00 0.00 C ATOM 262 SG CYS A 40 -2.026 -8.417 0.243 1.00 0.00 S ATOM 0 H CYS A 40 -2.033 -11.241 1.270 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.185 -10.875 0.072 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.109 -8.309 1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.369 -8.536 0.025 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.161 -7.124 0.254 1.00 0.00 H new ATOM 268 N SER A 41 2.220 -9.962 1.316 1.00 0.00 N ATOM 269 CA SER A 41 3.562 -9.870 1.903 1.00 0.00 C ATOM 270 C SER A 41 4.197 -8.606 1.326 1.00 0.00 C ATOM 271 O SER A 41 3.695 -8.075 0.328 1.00 0.00 O ATOM 272 CB SER A 41 4.455 -11.082 1.603 1.00 0.00 C ATOM 273 OG SER A 41 4.112 -12.164 2.441 1.00 0.00 O ATOM 0 H SER A 41 2.119 -9.299 0.548 1.00 0.00 H new ATOM 0 HA SER A 41 3.469 -9.842 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.345 -11.373 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.502 -10.816 1.751 1.00 0.00 H new ATOM 0 HG SER A 41 3.139 -12.197 2.551 1.00 0.00 H new ATOM 279 N TRP A 42 5.285 -8.094 1.919 1.00 0.00 N ATOM 280 CA TRP A 42 5.834 -6.845 1.391 1.00 0.00 C ATOM 281 C TRP A 42 6.254 -6.970 -0.061 1.00 0.00 C ATOM 282 O TRP A 42 5.883 -6.114 -0.856 1.00 0.00 O ATOM 283 CB TRP A 42 6.933 -6.210 2.237 1.00 0.00 C ATOM 284 CG TRP A 42 7.444 -4.900 1.666 1.00 0.00 C ATOM 285 CD1 TRP A 42 8.737 -4.505 1.615 1.00 0.00 C ATOM 286 CD2 TRP A 42 6.698 -3.841 0.964 1.00 0.00 C ATOM 287 NE1 TRP A 42 8.843 -3.314 0.909 1.00 0.00 N ATOM 288 CE2 TRP A 42 7.620 -2.880 0.443 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.336 -3.618 0.650 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.216 -1.807 -0.380 1.00 0.00 C ATOM 291 CZ3 TRP A 42 4.927 -2.564 -0.165 1.00 0.00 C ATOM 292 CH2 TRP A 42 5.855 -1.657 -0.690 1.00 0.00 C ATOM 0 H TRP A 42 5.776 -8.498 2.717 1.00 0.00 H new ATOM 0 HA TRP A 42 4.999 -6.147 1.447 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.553 -6.037 3.244 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.764 -6.909 2.326 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.565 -5.038 2.058 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.721 -2.819 0.754 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.590 -4.286 1.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.945 -1.110 -0.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.878 -2.445 -0.395 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.527 -0.849 -1.328 1.00 0.00 H new ATOM 303 N GLN A 43 6.882 -8.072 -0.477 1.00 0.00 N ATOM 304 CA GLN A 43 7.223 -8.255 -1.893 1.00 0.00 C ATOM 305 C GLN A 43 6.046 -8.145 -2.870 1.00 0.00 C ATOM 306 O GLN A 43 6.168 -7.618 -3.983 1.00 0.00 O ATOM 307 CB GLN A 43 8.003 -9.564 -2.120 1.00 0.00 C ATOM 308 CG GLN A 43 7.266 -10.821 -1.608 1.00 0.00 C ATOM 309 CD GLN A 43 7.615 -12.071 -2.411 1.00 0.00 C ATOM 310 OE1 GLN A 43 8.730 -12.578 -2.380 1.00 0.00 O ATOM 311 NE2 GLN A 43 6.684 -12.616 -3.167 1.00 0.00 N ATOM 0 H GLN A 43 7.162 -8.840 0.133 1.00 0.00 H new ATOM 0 HA GLN A 43 7.865 -7.406 -2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.201 -9.678 -3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.970 -9.492 -1.622 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.518 -10.984 -0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.190 -10.652 -1.655 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.751 -12.205 -3.203 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.896 -13.449 -3.716 1.00 0.00 H new ATOM 320 N ASP A 44 4.885 -8.587 -2.413 1.00 0.00 N ATOM 321 CA ASP A 44 3.696 -8.681 -3.225 1.00 0.00 C ATOM 322 C ASP A 44 3.049 -7.304 -3.359 1.00 0.00 C ATOM 323 O ASP A 44 2.674 -6.874 -4.451 1.00 0.00 O ATOM 324 CB ASP A 44 2.757 -9.652 -2.526 1.00 0.00 C ATOM 325 CG ASP A 44 3.219 -11.122 -2.507 1.00 0.00 C ATOM 326 OD1 ASP A 44 4.049 -11.536 -3.349 1.00 0.00 O ATOM 327 OD2 ASP A 44 2.741 -11.874 -1.627 1.00 0.00 O ATOM 0 H ASP A 44 4.747 -8.894 -1.450 1.00 0.00 H new ATOM 0 HA ASP A 44 3.929 -9.034 -4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.618 -9.319 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.782 -9.602 -3.012 1.00 0.00 H new ATOM 332 N LEU A 45 2.986 -6.580 -2.244 1.00 0.00 N ATOM 333 CA LEU A 45 2.544 -5.198 -2.208 1.00 0.00 C ATOM 334 C LEU A 45 3.557 -4.216 -2.818 1.00 0.00 C ATOM 335 O LEU A 45 3.129 -3.178 -3.315 1.00 0.00 O ATOM 336 CB LEU A 45 2.209 -4.882 -0.749 1.00 0.00 C ATOM 337 CG LEU A 45 0.850 -5.434 -0.297 1.00 0.00 C ATOM 338 CD1 LEU A 45 0.691 -5.006 1.144 1.00 0.00 C ATOM 339 CD2 LEU A 45 -0.347 -4.893 -1.092 1.00 0.00 C ATOM 0 H LEU A 45 3.246 -6.948 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 45 1.663 -5.072 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.990 -5.293 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.217 -3.801 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 45 0.849 -6.513 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.262 -5.369 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.504 -5.422 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.716 -3.918 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.267 -5.333 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.393 -3.809 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.232 -5.152 -2.144 1.00 0.00 H new ATOM 351 N LYS A 46 4.860 -4.544 -2.861 1.00 0.00 N ATOM 352 CA LYS A 46 5.892 -3.835 -3.650 1.00 0.00 C ATOM 353 C LYS A 46 5.465 -3.916 -5.112 1.00 0.00 C ATOM 354 O LYS A 46 5.281 -2.899 -5.774 1.00 0.00 O ATOM 355 CB LYS A 46 7.286 -4.503 -3.461 1.00 0.00 C ATOM 356 CG LYS A 46 8.474 -3.592 -3.128 1.00 0.00 C ATOM 357 CD LYS A 46 8.814 -2.518 -4.163 1.00 0.00 C ATOM 358 CE LYS A 46 9.969 -1.652 -3.644 1.00 0.00 C ATOM 359 NZ LYS A 46 10.547 -0.788 -4.702 1.00 0.00 N ATOM 0 H LYS A 46 5.239 -5.331 -2.334 1.00 0.00 H new ATOM 0 HA LYS A 46 5.981 -2.799 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.198 -5.243 -2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.525 -5.045 -4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.272 -3.099 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.355 -4.217 -2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.092 -2.984 -5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.940 -1.897 -4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.612 -1.029 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.749 -2.296 -3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.253 -0.150 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.002 -1.381 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.791 -0.226 -5.142 1.00 0.00 H new ATOM 373 N ASP A 47 5.231 -5.145 -5.572 1.00 0.00 N ATOM 374 CA ASP A 47 4.759 -5.427 -6.924 1.00 0.00 C ATOM 375 C ASP A 47 3.509 -4.643 -7.258 1.00 0.00 C ATOM 376 O ASP A 47 3.585 -3.806 -8.154 1.00 0.00 O ATOM 377 CB ASP A 47 4.602 -6.937 -7.162 1.00 0.00 C ATOM 378 CG ASP A 47 5.432 -7.423 -8.363 1.00 0.00 C ATOM 379 OD1 ASP A 47 6.576 -6.945 -8.560 1.00 0.00 O ATOM 380 OD2 ASP A 47 4.916 -8.269 -9.130 1.00 0.00 O ATOM 0 H ASP A 47 5.366 -5.983 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 47 5.524 -5.084 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.909 -7.478 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.551 -7.170 -7.331 1.00 0.00 H new ATOM 385 N LEU A 48 2.417 -4.806 -6.506 1.00 0.00 N ATOM 386 CA LEU A 48 1.214 -4.029 -6.783 1.00 0.00 C ATOM 387 C LEU A 48 1.492 -2.525 -6.735 1.00 0.00 C ATOM 388 O LEU A 48 1.044 -1.795 -7.605 1.00 0.00 O ATOM 389 CB LEU A 48 0.014 -4.461 -5.918 1.00 0.00 C ATOM 390 CG LEU A 48 -1.284 -3.713 -6.310 1.00 0.00 C ATOM 391 CD1 LEU A 48 -2.551 -4.438 -5.887 1.00 0.00 C ATOM 392 CD2 LEU A 48 -1.405 -2.374 -5.629 1.00 0.00 C ATOM 0 H LEU A 48 2.344 -5.453 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 48 0.916 -4.251 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.141 -5.535 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.238 -4.273 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.201 -3.634 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.422 -3.858 -6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.584 -5.419 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.557 -4.557 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.332 -1.891 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.412 -2.515 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.559 -1.746 -5.908 1.00 0.00 H new ATOM 404 N ALA A 49 2.241 -2.016 -5.766 1.00 0.00 N ATOM 405 CA ALA A 49 2.514 -0.589 -5.713 1.00 0.00 C ATOM 406 C ALA A 49 3.199 -0.051 -6.981 1.00 0.00 C ATOM 407 O ALA A 49 2.858 1.035 -7.460 1.00 0.00 O ATOM 408 CB ALA A 49 3.342 -0.332 -4.476 1.00 0.00 C ATOM 0 H ALA A 49 2.665 -2.562 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 49 1.569 -0.048 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.567 0.732 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.785 -0.646 -3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.273 -0.896 -4.538 1.00 0.00 H new ATOM 414 N ARG A 50 4.097 -0.824 -7.599 1.00 0.00 N ATOM 415 CA ARG A 50 4.684 -0.483 -8.905 1.00 0.00 C ATOM 416 C ARG A 50 3.683 -0.633 -10.045 1.00 0.00 C ATOM 417 O ARG A 50 3.679 0.171 -10.979 1.00 0.00 O ATOM 418 CB ARG A 50 5.889 -1.387 -9.138 1.00 0.00 C ATOM 419 CG ARG A 50 7.022 -0.995 -8.184 1.00 0.00 C ATOM 420 CD ARG A 50 7.729 -2.146 -7.461 1.00 0.00 C ATOM 421 NE ARG A 50 7.711 -3.461 -8.150 1.00 0.00 N ATOM 422 CZ ARG A 50 8.342 -3.802 -9.261 1.00 0.00 C ATOM 423 NH1 ARG A 50 9.118 -2.975 -9.905 1.00 0.00 N ATOM 424 NH2 ARG A 50 8.205 -4.998 -9.758 1.00 0.00 N ATOM 0 H ARG A 50 4.439 -1.703 -7.211 1.00 0.00 H new ATOM 0 HA ARG A 50 4.985 0.565 -8.890 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.610 -2.429 -8.978 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.225 -1.302 -10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.768 -0.437 -8.750 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.618 -0.316 -7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.768 -1.860 -7.295 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.271 -2.267 -6.479 1.00 0.00 H new ATOM 0 HE ARG A 50 7.144 -4.188 -7.714 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.256 -2.027 -9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.587 -3.276 -10.759 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.608 -5.679 -9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.695 -5.253 -10.615 1.00 0.00 H new ATOM 438 N GLU A 51 2.793 -1.613 -9.922 1.00 0.00 N ATOM 439 CA GLU A 51 1.585 -1.732 -10.788 1.00 0.00 C ATOM 440 C GLU A 51 0.732 -0.461 -10.804 1.00 0.00 C ATOM 441 O GLU A 51 0.083 -0.125 -11.795 1.00 0.00 O ATOM 442 CB GLU A 51 0.627 -2.879 -10.413 1.00 0.00 C ATOM 443 CG GLU A 51 1.237 -4.275 -10.462 1.00 0.00 C ATOM 444 CD GLU A 51 1.442 -4.828 -11.888 1.00 0.00 C ATOM 445 OE1 GLU A 51 2.160 -4.214 -12.707 1.00 0.00 O ATOM 446 OE2 GLU A 51 0.934 -5.942 -12.162 1.00 0.00 O ATOM 0 H GLU A 51 2.872 -2.354 -9.226 1.00 0.00 H new ATOM 0 HA GLU A 51 2.027 -1.931 -11.764 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.248 -2.700 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.230 -2.850 -11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.199 -4.257 -9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.594 -4.959 -9.908 1.00 0.00 H new ATOM 453 N ASN A 52 0.755 0.237 -9.675 1.00 0.00 N ATOM 454 CA ASN A 52 -0.142 1.323 -9.332 1.00 0.00 C ATOM 455 C ASN A 52 0.531 2.702 -9.223 1.00 0.00 C ATOM 456 O ASN A 52 -0.151 3.702 -8.991 1.00 0.00 O ATOM 457 CB ASN A 52 -0.793 0.845 -8.030 1.00 0.00 C ATOM 458 CG ASN A 52 -2.065 0.083 -8.328 1.00 0.00 C ATOM 459 OD1 ASN A 52 -3.140 0.636 -8.495 1.00 0.00 O ATOM 460 ND2 ASN A 52 -1.961 -1.215 -8.439 1.00 0.00 N ATOM 0 H ASN A 52 1.436 0.048 -8.940 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.870 1.513 -10.121 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.099 0.208 -7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.014 1.700 -7.391 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.783 -1.775 -8.667 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.058 -1.668 -8.298 1.00 0.00 H new ATOM 467 N SER A 53 1.852 2.761 -9.419 1.00 0.00 N ATOM 468 CA SER A 53 2.679 3.975 -9.311 1.00 0.00 C ATOM 469 C SER A 53 2.621 4.615 -7.909 1.00 0.00 C ATOM 470 O SER A 53 2.791 5.828 -7.758 1.00 0.00 O ATOM 471 CB SER A 53 2.384 4.965 -10.452 1.00 0.00 C ATOM 472 OG SER A 53 2.601 4.353 -11.714 1.00 0.00 O ATOM 0 H SER A 53 2.398 1.936 -9.667 1.00 0.00 H new ATOM 0 HA SER A 53 3.717 3.668 -9.435 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.353 5.311 -10.382 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.023 5.843 -10.353 1.00 0.00 H new ATOM 0 HG SER A 53 2.407 4.996 -12.427 1.00 0.00 H new ATOM 478 N LEU A 54 2.384 3.783 -6.892 1.00 0.00 N ATOM 479 CA LEU A 54 2.538 4.138 -5.480 1.00 0.00 C ATOM 480 C LEU A 54 4.023 4.387 -5.218 1.00 0.00 C ATOM 481 O LEU A 54 4.438 5.519 -4.999 1.00 0.00 O ATOM 482 CB LEU A 54 2.068 2.970 -4.562 1.00 0.00 C ATOM 483 CG LEU A 54 0.643 2.922 -3.992 1.00 0.00 C ATOM 484 CD1 LEU A 54 0.691 2.714 -2.461 1.00 0.00 C ATOM 485 CD2 LEU A 54 -0.206 4.137 -4.342 1.00 0.00 C ATOM 0 H LEU A 54 2.073 2.822 -7.031 1.00 0.00 H new ATOM 0 HA LEU A 54 1.937 5.021 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.216 2.047 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.750 2.940 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 54 0.152 2.073 -4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.324 2.681 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.198 1.775 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.234 3.539 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.197 4.027 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.267 5.037 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.296 4.218 -5.425 1.00 0.00 H new ATOM 497 N GLU A 55 4.816 3.312 -5.297 1.00 0.00 N ATOM 498 CA GLU A 55 6.197 3.227 -4.855 1.00 0.00 C ATOM 499 C GLU A 55 6.500 4.168 -3.668 1.00 0.00 C ATOM 500 O GLU A 55 7.207 5.177 -3.765 1.00 0.00 O ATOM 501 CB GLU A 55 7.139 3.336 -6.046 1.00 0.00 C ATOM 502 CG GLU A 55 8.561 3.196 -5.524 1.00 0.00 C ATOM 503 CD GLU A 55 9.436 2.268 -6.388 1.00 0.00 C ATOM 504 OE1 GLU A 55 9.229 1.029 -6.317 1.00 0.00 O ATOM 505 OE2 GLU A 55 10.364 2.749 -7.079 1.00 0.00 O ATOM 0 H GLU A 55 4.485 2.433 -5.695 1.00 0.00 H new ATOM 0 HA GLU A 55 6.378 2.240 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.922 2.558 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.009 4.294 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.023 4.182 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.531 2.811 -4.505 1.00 0.00 H new ATOM 512 N THR A 56 5.906 3.833 -2.519 1.00 0.00 N ATOM 513 CA THR A 56 6.235 4.468 -1.240 1.00 0.00 C ATOM 514 C THR A 56 7.666 4.077 -0.785 1.00 0.00 C ATOM 515 O THR A 56 8.392 3.373 -1.504 1.00 0.00 O ATOM 516 CB THR A 56 5.197 4.143 -0.146 1.00 0.00 C ATOM 517 OG1 THR A 56 5.556 2.962 0.524 1.00 0.00 O ATOM 518 CG2 THR A 56 3.757 3.965 -0.625 1.00 0.00 C ATOM 0 H THR A 56 5.185 3.115 -2.449 1.00 0.00 H new ATOM 0 HA THR A 56 6.205 5.546 -1.396 1.00 0.00 H new ATOM 0 HB THR A 56 5.213 5.023 0.497 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.105 2.929 1.393 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.115 3.740 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.416 4.883 -1.103 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.710 3.144 -1.341 1.00 0.00 H new ATOM 526 N THR A 57 8.100 4.497 0.399 1.00 0.00 N ATOM 527 CA THR A 57 9.404 4.132 0.962 1.00 0.00 C ATOM 528 C THR A 57 9.439 2.645 1.282 1.00 0.00 C ATOM 529 O THR A 57 10.401 1.947 0.950 1.00 0.00 O ATOM 530 CB THR A 57 9.651 4.862 2.293 1.00 0.00 C ATOM 531 OG1 THR A 57 9.372 6.242 2.183 1.00 0.00 O ATOM 532 CG2 THR A 57 11.091 4.734 2.782 1.00 0.00 C ATOM 0 H THR A 57 7.553 5.108 1.005 1.00 0.00 H new ATOM 0 HA THR A 57 10.158 4.403 0.223 1.00 0.00 H new ATOM 0 HB THR A 57 8.981 4.383 3.006 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.537 6.679 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.204 5.269 3.725 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.332 3.682 2.931 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.766 5.160 2.040 1.00 0.00 H new ATOM 540 N PHE A 58 8.389 2.179 1.965 1.00 0.00 N ATOM 541 CA PHE A 58 8.341 0.872 2.608 1.00 0.00 C ATOM 542 C PHE A 58 6.947 0.507 3.111 1.00 0.00 C ATOM 543 O PHE A 58 6.079 1.373 3.225 1.00 0.00 O ATOM 544 CB PHE A 58 9.318 0.910 3.800 1.00 0.00 C ATOM 545 CG PHE A 58 8.811 1.260 5.190 1.00 0.00 C ATOM 546 CD1 PHE A 58 8.818 2.594 5.643 1.00 0.00 C ATOM 547 CD2 PHE A 58 8.440 0.235 6.081 1.00 0.00 C ATOM 548 CE1 PHE A 58 8.476 2.893 6.976 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.054 0.539 7.404 1.00 0.00 C ATOM 550 CZ PHE A 58 8.080 1.870 7.852 1.00 0.00 C ATOM 0 H PHE A 58 7.531 2.717 2.086 1.00 0.00 H new ATOM 0 HA PHE A 58 8.615 0.115 1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.788 -0.071 3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.103 1.624 3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.087 3.391 4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.451 -0.793 5.749 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.519 3.914 7.326 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.739 -0.250 8.071 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.796 2.106 8.867 1.00 0.00 H new ATOM 560 N SER A 59 6.777 -0.759 3.498 1.00 0.00 N ATOM 561 CA SER A 59 5.617 -1.230 4.256 1.00 0.00 C ATOM 562 C SER A 59 6.006 -2.249 5.318 1.00 0.00 C ATOM 563 O SER A 59 6.877 -3.098 5.113 1.00 0.00 O ATOM 564 CB SER A 59 4.609 -1.915 3.342 1.00 0.00 C ATOM 565 OG SER A 59 3.489 -2.406 4.063 1.00 0.00 O ATOM 0 H SER A 59 7.451 -1.496 3.290 1.00 0.00 H new ATOM 0 HA SER A 59 5.187 -0.344 4.723 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.271 -1.211 2.582 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.094 -2.739 2.820 1.00 0.00 H new ATOM 0 HG SER A 59 2.945 -2.972 3.477 1.00 0.00 H new ATOM 571 N SER A 60 5.289 -2.194 6.434 1.00 0.00 N ATOM 572 CA SER A 60 5.258 -3.237 7.453 1.00 0.00 C ATOM 573 C SER A 60 4.177 -4.241 7.042 1.00 0.00 C ATOM 574 O SER A 60 3.011 -3.873 6.929 1.00 0.00 O ATOM 575 CB SER A 60 4.882 -2.628 8.807 1.00 0.00 C ATOM 576 OG SER A 60 5.931 -1.819 9.308 1.00 0.00 O ATOM 0 H SER A 60 4.694 -1.397 6.662 1.00 0.00 H new ATOM 0 HA SER A 60 6.233 -3.716 7.540 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.976 -2.031 8.702 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.660 -3.423 9.518 1.00 0.00 H new ATOM 0 HG SER A 60 5.821 -1.702 10.275 1.00 0.00 H new ATOM 582 N VAL A 61 4.546 -5.497 6.790 1.00 0.00 N ATOM 583 CA VAL A 61 3.620 -6.606 6.473 1.00 0.00 C ATOM 584 C VAL A 61 4.039 -7.823 7.306 1.00 0.00 C ATOM 585 O VAL A 61 5.204 -7.926 7.704 1.00 0.00 O ATOM 586 CB VAL A 61 3.597 -6.952 4.962 1.00 0.00 C ATOM 587 CG1 VAL A 61 2.326 -7.733 4.591 1.00 0.00 C ATOM 588 CG2 VAL A 61 3.620 -5.715 4.058 1.00 0.00 C ATOM 0 H VAL A 61 5.523 -5.789 6.799 1.00 0.00 H new ATOM 0 HA VAL A 61 2.604 -6.299 6.722 1.00 0.00 H new ATOM 0 HB VAL A 61 4.498 -7.543 4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.338 -7.962 3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.290 -8.661 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.448 -7.130 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.602 -6.027 3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.748 -5.096 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.527 -5.141 4.250 1.00 0.00 H new ATOM 598 N ASN A 62 3.119 -8.759 7.553 1.00 0.00 N ATOM 599 CA ASN A 62 3.379 -10.021 8.268 1.00 0.00 C ATOM 600 C ASN A 62 3.868 -9.822 9.726 1.00 0.00 C ATOM 601 O ASN A 62 4.660 -10.625 10.225 1.00 0.00 O ATOM 602 CB ASN A 62 4.357 -10.877 7.420 1.00 0.00 C ATOM 603 CG ASN A 62 3.924 -11.117 5.983 1.00 0.00 C ATOM 604 OD1 ASN A 62 4.720 -10.732 5.003 1.00 0.00 O flip ATOM 605 ND2 ASN A 62 2.876 -11.685 5.718 1.00 0.00 N flip ATOM 0 H ASN A 62 2.148 -8.662 7.256 1.00 0.00 H new ATOM 0 HA ASN A 62 2.434 -10.553 8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.331 -10.388 7.413 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.489 -11.842 7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.255 -11.986 6.469 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.622 -11.859 4.746 1.00 0.00 H new ATOM 612 N THR A 63 3.453 -8.742 10.410 1.00 0.00 N ATOM 613 CA THR A 63 4.049 -8.324 11.708 1.00 0.00 C ATOM 614 C THR A 63 3.139 -7.550 12.683 1.00 0.00 C ATOM 615 O THR A 63 3.486 -7.422 13.858 1.00 0.00 O ATOM 616 CB THR A 63 5.328 -7.509 11.408 1.00 0.00 C ATOM 617 OG1 THR A 63 6.148 -7.347 12.552 1.00 0.00 O ATOM 618 CG2 THR A 63 5.060 -6.128 10.793 1.00 0.00 C ATOM 0 H THR A 63 2.701 -8.133 10.089 1.00 0.00 H new ATOM 0 HA THR A 63 4.251 -9.251 12.245 1.00 0.00 H new ATOM 0 HB THR A 63 5.851 -8.111 10.665 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.586 -7.298 13.353 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.007 -5.620 10.613 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.527 -6.247 9.850 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.455 -5.535 11.479 1.00 0.00 H new ATOM 626 N ARG A 64 1.985 -7.029 12.243 1.00 0.00 N ATOM 627 CA ARG A 64 1.082 -6.145 13.021 1.00 0.00 C ATOM 628 C ARG A 64 -0.359 -6.315 12.517 1.00 0.00 C ATOM 629 O ARG A 64 -1.063 -5.348 12.225 1.00 0.00 O ATOM 630 CB ARG A 64 1.596 -4.693 12.883 1.00 0.00 C ATOM 631 CG ARG A 64 0.864 -3.664 13.771 1.00 0.00 C ATOM 632 CD ARG A 64 0.515 -2.373 13.016 1.00 0.00 C ATOM 633 NE ARG A 64 -0.413 -2.616 11.881 1.00 0.00 N ATOM 634 CZ ARG A 64 -0.986 -1.700 11.121 1.00 0.00 C ATOM 635 NH1 ARG A 64 -0.781 -0.439 11.359 1.00 0.00 N ATOM 636 NH2 ARG A 64 -1.766 -2.022 10.130 1.00 0.00 N ATOM 0 H ARG A 64 1.635 -7.213 11.303 1.00 0.00 H new ATOM 0 HA ARG A 64 1.079 -6.406 14.079 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.658 -4.673 13.127 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.502 -4.386 11.841 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.051 -4.111 14.160 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.490 -3.420 14.629 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.062 -1.662 13.707 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.431 -1.915 12.642 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.630 -3.589 11.667 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.178 -0.157 12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.223 0.269 10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.949 -3.004 9.923 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.195 -1.292 9.560 1.00 0.00 H new ATOM 650 N ASP A 65 -0.780 -7.566 12.346 1.00 0.00 N ATOM 651 CA ASP A 65 -1.962 -7.890 11.548 1.00 0.00 C ATOM 652 C ASP A 65 -2.819 -9.055 12.051 1.00 0.00 C ATOM 653 O ASP A 65 -2.427 -9.819 12.934 1.00 0.00 O ATOM 654 CB ASP A 65 -1.451 -8.288 10.156 1.00 0.00 C ATOM 655 CG ASP A 65 -0.344 -7.362 9.621 1.00 0.00 C ATOM 656 OD1 ASP A 65 -0.669 -6.227 9.223 1.00 0.00 O ATOM 657 OD2 ASP A 65 0.841 -7.775 9.609 1.00 0.00 O ATOM 0 H ASP A 65 -0.316 -8.378 12.753 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.603 -7.009 11.584 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.072 -9.309 10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.287 -8.284 9.456 1.00 0.00 H new ATOM 662 N PHE A 66 -3.977 -9.222 11.403 1.00 0.00 N ATOM 663 CA PHE A 66 -4.830 -10.409 11.517 1.00 0.00 C ATOM 664 C PHE A 66 -4.108 -11.674 10.996 1.00 0.00 C ATOM 665 O PHE A 66 -4.275 -12.764 11.543 1.00 0.00 O ATOM 666 CB PHE A 66 -6.176 -10.107 10.839 1.00 0.00 C ATOM 667 CG PHE A 66 -6.331 -10.451 9.367 1.00 0.00 C ATOM 668 CD1 PHE A 66 -5.681 -9.687 8.373 1.00 0.00 C ATOM 669 CD2 PHE A 66 -7.188 -11.501 8.984 1.00 0.00 C ATOM 670 CE1 PHE A 66 -5.878 -9.980 7.014 1.00 0.00 C ATOM 671 CE2 PHE A 66 -7.406 -11.777 7.617 1.00 0.00 C ATOM 672 CZ PHE A 66 -6.754 -11.015 6.640 1.00 0.00 C ATOM 0 H PHE A 66 -4.356 -8.518 10.769 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.041 -10.639 12.561 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.953 -10.639 11.389 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.376 -9.042 10.955 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.030 -8.874 8.659 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.680 -12.097 9.739 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.358 -9.412 6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.074 -12.574 7.325 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.925 -11.223 5.594 1.00 0.00 H new ATOM 682 N ASP A 67 -3.253 -11.499 9.974 1.00 0.00 N ATOM 683 CA ASP A 67 -2.242 -12.449 9.474 1.00 0.00 C ATOM 684 C ASP A 67 -1.236 -11.709 8.567 1.00 0.00 C ATOM 685 O ASP A 67 -0.032 -11.965 8.624 1.00 0.00 O ATOM 686 CB ASP A 67 -2.837 -13.688 8.769 1.00 0.00 C ATOM 687 CG ASP A 67 -3.137 -13.515 7.269 1.00 0.00 C ATOM 688 OD1 ASP A 67 -3.854 -12.562 6.904 1.00 0.00 O ATOM 689 OD2 ASP A 67 -2.658 -14.346 6.462 1.00 0.00 O ATOM 0 H ASP A 67 -3.249 -10.631 9.438 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.724 -12.847 10.346 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.144 -14.521 8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.761 -13.965 9.277 1.00 0.00 H new ATOM 694 N GLY A 68 -1.721 -10.716 7.816 1.00 0.00 N ATOM 695 CA GLY A 68 -0.933 -9.757 7.056 1.00 0.00 C ATOM 696 C GLY A 68 -1.793 -8.636 6.456 1.00 0.00 C ATOM 697 O GLY A 68 -2.791 -8.877 5.780 1.00 0.00 O ATOM 0 H GLY A 68 -2.724 -10.556 7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.173 -9.321 7.704 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.408 -10.277 6.255 1.00 0.00 H new ATOM 701 N THR A 69 -1.396 -7.393 6.697 1.00 0.00 N ATOM 702 CA THR A 69 -1.919 -6.170 6.068 1.00 0.00 C ATOM 703 C THR A 69 -0.734 -5.281 5.659 1.00 0.00 C ATOM 704 O THR A 69 0.311 -5.261 6.305 1.00 0.00 O ATOM 705 CB THR A 69 -2.912 -5.382 6.949 1.00 0.00 C ATOM 706 OG1 THR A 69 -2.278 -4.595 7.940 1.00 0.00 O ATOM 707 CG2 THR A 69 -3.931 -6.262 7.679 1.00 0.00 C ATOM 0 H THR A 69 -0.659 -7.192 7.373 1.00 0.00 H new ATOM 0 HA THR A 69 -2.495 -6.477 5.195 1.00 0.00 H new ATOM 0 HB THR A 69 -3.422 -4.749 6.223 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.786 -5.178 8.555 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.592 -5.634 8.276 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.520 -6.818 6.950 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.407 -6.961 8.331 1.00 0.00 H new ATOM 715 N GLY A 70 -0.874 -4.561 4.556 1.00 0.00 N ATOM 716 CA GLY A 70 0.098 -3.621 4.005 1.00 0.00 C ATOM 717 C GLY A 70 0.119 -2.300 4.752 1.00 0.00 C ATOM 718 O GLY A 70 -0.649 -1.414 4.385 1.00 0.00 O ATOM 0 H GLY A 70 -1.718 -4.619 3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.091 -4.069 4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.134 -3.437 2.956 1.00 0.00 H new ATOM 722 N ALA A 71 0.952 -2.146 5.775 1.00 0.00 N ATOM 723 CA ALA A 71 1.124 -0.860 6.435 1.00 0.00 C ATOM 724 C ALA A 71 2.255 -0.021 5.808 1.00 0.00 C ATOM 725 O ALA A 71 3.386 -0.027 6.299 1.00 0.00 O ATOM 726 CB ALA A 71 1.197 -1.051 7.950 1.00 0.00 C ATOM 0 H ALA A 71 1.519 -2.899 6.165 1.00 0.00 H new ATOM 0 HA ALA A 71 0.242 -0.243 6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.326 -0.082 8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.275 -1.513 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.042 -1.694 8.195 1.00 0.00 H new ATOM 732 N LEU A 72 1.936 0.687 4.709 1.00 0.00 N ATOM 733 CA LEU A 72 2.849 1.464 3.859 1.00 0.00 C ATOM 734 C LEU A 72 3.123 2.872 4.413 1.00 0.00 C ATOM 735 O LEU A 72 2.251 3.495 5.015 1.00 0.00 O ATOM 736 CB LEU A 72 2.213 1.703 2.489 1.00 0.00 C ATOM 737 CG LEU A 72 2.215 0.629 1.408 1.00 0.00 C ATOM 738 CD1 LEU A 72 3.601 0.480 0.799 1.00 0.00 C ATOM 739 CD2 LEU A 72 1.574 -0.687 1.823 1.00 0.00 C ATOM 0 H LEU A 72 0.974 0.733 4.372 1.00 0.00 H new ATOM 0 HA LEU A 72 3.769 0.882 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.171 1.971 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.700 2.581 2.063 1.00 0.00 H new ATOM 0 HG LEU A 72 1.551 0.980 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.579 -0.292 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.907 1.427 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.311 0.198 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.620 -1.392 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.109 -1.099 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.533 -0.515 2.095 1.00 0.00 H new ATOM 751 N GLU A 73 4.276 3.436 4.073 1.00 0.00 N ATOM 752 CA GLU A 73 4.758 4.753 4.567 1.00 0.00 C ATOM 753 C GLU A 73 5.454 5.612 3.474 1.00 0.00 C ATOM 754 O GLU A 73 6.251 5.080 2.693 1.00 0.00 O ATOM 755 CB GLU A 73 5.766 4.471 5.691 1.00 0.00 C ATOM 756 CG GLU A 73 6.332 5.733 6.372 1.00 0.00 C ATOM 757 CD GLU A 73 6.323 5.662 7.905 1.00 0.00 C ATOM 758 OE1 GLU A 73 5.265 5.402 8.529 1.00 0.00 O ATOM 759 OE2 GLU A 73 7.366 5.950 8.539 1.00 0.00 O ATOM 0 H GLU A 73 4.931 2.991 3.430 1.00 0.00 H new ATOM 0 HA GLU A 73 3.894 5.326 4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.284 3.850 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.594 3.891 5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.355 5.892 6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.751 6.599 6.054 1.00 0.00 H new ATOM 766 N PHE A 74 5.242 6.942 3.454 1.00 0.00 N ATOM 767 CA PHE A 74 6.013 7.898 2.628 1.00 0.00 C ATOM 768 C PHE A 74 6.214 9.284 3.298 1.00 0.00 C ATOM 769 O PHE A 74 5.374 9.693 4.105 1.00 0.00 O ATOM 770 CB PHE A 74 5.312 8.140 1.268 1.00 0.00 C ATOM 771 CG PHE A 74 6.255 8.539 0.139 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.289 7.682 -0.252 1.00 0.00 C ATOM 773 CD2 PHE A 74 6.194 9.824 -0.422 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.257 8.085 -1.188 1.00 0.00 C ATOM 775 CE2 PHE A 74 7.169 10.252 -1.342 1.00 0.00 C ATOM 776 CZ PHE A 74 8.202 9.380 -1.725 1.00 0.00 C ATOM 0 H PHE A 74 4.521 7.391 4.018 1.00 0.00 H new ATOM 0 HA PHE A 74 6.990 7.432 2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.782 7.233 0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.562 8.921 1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.345 6.691 0.174 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.391 10.491 -0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.037 7.403 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.123 11.250 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.952 9.706 -2.431 1.00 0.00 H new ATOM 786 N PRO A 75 7.255 10.065 2.927 1.00 0.00 N ATOM 787 CA PRO A 75 7.425 11.468 3.334 1.00 0.00 C ATOM 788 C PRO A 75 6.537 12.530 2.640 1.00 0.00 C ATOM 789 O PRO A 75 6.710 13.714 2.931 1.00 0.00 O ATOM 790 CB PRO A 75 8.919 11.774 3.147 1.00 0.00 C ATOM 791 CG PRO A 75 9.330 10.831 2.028 1.00 0.00 C ATOM 792 CD PRO A 75 8.516 9.589 2.368 1.00 0.00 C ATOM 0 HA PRO A 75 7.080 11.552 4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.086 12.817 2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.485 11.587 4.059 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.081 11.228 1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.402 10.633 2.030 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.343 8.983 1.479 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.046 8.961 3.084 1.00 0.00 H new ATOM 800 N SER A 76 5.582 12.173 1.763 1.00 0.00 N ATOM 801 CA SER A 76 4.622 13.120 1.155 1.00 0.00 C ATOM 802 C SER A 76 3.223 12.534 1.064 1.00 0.00 C ATOM 803 O SER A 76 3.029 11.525 0.382 1.00 0.00 O ATOM 804 CB SER A 76 4.977 13.460 -0.283 1.00 0.00 C ATOM 805 OG SER A 76 6.221 14.125 -0.423 1.00 0.00 O ATOM 0 H SER A 76 5.451 11.211 1.451 1.00 0.00 H new ATOM 0 HA SER A 76 4.664 13.995 1.804 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.999 12.541 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.191 14.087 -0.703 1.00 0.00 H new ATOM 0 HG SER A 76 6.387 14.312 -1.371 1.00 0.00 H new ATOM 811 N GLU A 77 2.224 13.212 1.635 1.00 0.00 N ATOM 812 CA GLU A 77 0.809 12.810 1.540 1.00 0.00 C ATOM 813 C GLU A 77 0.286 12.618 0.108 1.00 0.00 C ATOM 814 O GLU A 77 -0.722 11.948 -0.088 1.00 0.00 O ATOM 815 CB GLU A 77 -0.111 13.754 2.317 1.00 0.00 C ATOM 816 CG GLU A 77 -0.088 15.208 1.829 1.00 0.00 C ATOM 817 CD GLU A 77 -0.624 16.150 2.931 1.00 0.00 C ATOM 818 OE1 GLU A 77 -1.832 16.100 3.255 1.00 0.00 O ATOM 819 OE2 GLU A 77 0.175 16.894 3.545 1.00 0.00 O ATOM 0 H GLU A 77 2.370 14.061 2.181 1.00 0.00 H new ATOM 0 HA GLU A 77 0.785 11.824 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.133 13.379 2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.172 13.733 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.929 15.493 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.695 15.307 0.929 1.00 0.00 H new ATOM 826 N GLU A 78 0.993 13.139 -0.895 1.00 0.00 N ATOM 827 CA GLU A 78 0.773 12.854 -2.315 1.00 0.00 C ATOM 828 C GLU A 78 0.555 11.347 -2.563 1.00 0.00 C ATOM 829 O GLU A 78 -0.485 10.944 -3.085 1.00 0.00 O ATOM 830 CB GLU A 78 1.995 13.346 -3.119 1.00 0.00 C ATOM 831 CG GLU A 78 2.290 14.849 -2.992 1.00 0.00 C ATOM 832 CD GLU A 78 3.604 15.218 -3.711 1.00 0.00 C ATOM 833 OE1 GLU A 78 3.590 15.417 -4.951 1.00 0.00 O ATOM 834 OE2 GLU A 78 4.662 15.319 -3.043 1.00 0.00 O ATOM 0 H GLU A 78 1.760 13.793 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.128 13.375 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.874 12.789 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.839 13.109 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.466 15.422 -3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.359 15.122 -1.939 1.00 0.00 H new ATOM 841 N ILE A 79 1.500 10.506 -2.116 1.00 0.00 N ATOM 842 CA ILE A 79 1.493 9.048 -2.348 1.00 0.00 C ATOM 843 C ILE A 79 0.430 8.343 -1.465 1.00 0.00 C ATOM 844 O ILE A 79 -0.168 7.339 -1.876 1.00 0.00 O ATOM 845 CB ILE A 79 2.923 8.455 -2.177 1.00 0.00 C ATOM 846 CG1 ILE A 79 3.993 9.336 -2.874 1.00 0.00 C ATOM 847 CG2 ILE A 79 2.959 7.010 -2.703 1.00 0.00 C ATOM 848 CD1 ILE A 79 5.243 8.646 -3.460 1.00 0.00 C ATOM 0 H ILE A 79 2.304 10.822 -1.574 1.00 0.00 H new ATOM 0 HA ILE A 79 1.199 8.860 -3.381 1.00 0.00 H new ATOM 0 HB ILE A 79 3.165 8.444 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.502 9.877 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.332 10.080 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.963 6.603 -2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.249 6.401 -2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.691 7.001 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.894 9.395 -3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.781 8.131 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.939 7.925 -4.218 1.00 0.00 H new ATOM 860 N LEU A 80 0.122 8.922 -0.298 1.00 0.00 N ATOM 861 CA LEU A 80 -0.963 8.471 0.574 1.00 0.00 C ATOM 862 C LEU A 80 -2.322 8.624 -0.124 1.00 0.00 C ATOM 863 O LEU A 80 -3.098 7.674 -0.205 1.00 0.00 O ATOM 864 CB LEU A 80 -0.912 9.259 1.905 1.00 0.00 C ATOM 865 CG LEU A 80 -2.228 9.625 2.633 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.980 8.438 3.210 1.00 0.00 C ATOM 867 CD2 LEU A 80 -1.961 10.522 3.839 1.00 0.00 C ATOM 0 H LEU A 80 0.628 9.728 0.070 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.835 7.411 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.305 8.681 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.378 10.189 1.712 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.819 10.105 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.888 8.787 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.243 7.749 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.349 7.925 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.904 10.762 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.308 10.003 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.479 11.442 3.508 1.00 0.00 H new ATOM 879 N VAL A 81 -2.601 9.827 -0.634 1.00 0.00 N ATOM 880 CA VAL A 81 -3.896 10.204 -1.226 1.00 0.00 C ATOM 881 C VAL A 81 -4.100 9.461 -2.517 1.00 0.00 C ATOM 882 O VAL A 81 -5.208 8.988 -2.787 1.00 0.00 O ATOM 883 CB VAL A 81 -3.985 11.725 -1.471 1.00 0.00 C ATOM 884 CG1 VAL A 81 -5.249 12.150 -2.231 1.00 0.00 C ATOM 885 CG2 VAL A 81 -3.992 12.492 -0.145 1.00 0.00 C ATOM 0 H VAL A 81 -1.920 10.586 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.682 9.934 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.108 11.962 -2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.245 13.231 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.270 11.661 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.131 11.860 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.055 13.562 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.851 12.182 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.075 12.279 0.404 1.00 0.00 H new ATOM 895 N GLU A 82 -3.014 9.288 -3.269 1.00 0.00 N ATOM 896 CA GLU A 82 -2.964 8.376 -4.362 1.00 0.00 C ATOM 897 C GLU A 82 -3.496 7.014 -3.904 1.00 0.00 C ATOM 898 O GLU A 82 -4.612 6.686 -4.263 1.00 0.00 O ATOM 899 CB GLU A 82 -1.495 8.292 -4.738 1.00 0.00 C ATOM 900 CG GLU A 82 -0.968 9.130 -5.894 1.00 0.00 C ATOM 901 CD GLU A 82 -1.922 9.346 -7.074 1.00 0.00 C ATOM 902 OE1 GLU A 82 -2.033 8.459 -7.951 1.00 0.00 O ATOM 903 OE2 GLU A 82 -2.577 10.411 -7.142 1.00 0.00 O ATOM 0 H GLU A 82 -2.142 9.795 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.571 8.691 -5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.916 8.555 -3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.275 7.249 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.681 10.107 -5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.061 8.658 -6.271 1.00 0.00 H new ATOM 910 N ALA A 83 -2.804 6.264 -3.034 1.00 0.00 N ATOM 911 CA ALA A 83 -3.269 4.937 -2.575 1.00 0.00 C ATOM 912 C ALA A 83 -4.736 4.908 -2.107 1.00 0.00 C ATOM 913 O ALA A 83 -5.489 4.023 -2.501 1.00 0.00 O ATOM 914 CB ALA A 83 -2.342 4.467 -1.459 1.00 0.00 C ATOM 0 H ALA A 83 -1.913 6.552 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.233 4.264 -3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.666 3.489 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.323 4.396 -1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.373 5.180 -0.635 1.00 0.00 H new ATOM 920 N LEU A 84 -5.173 5.913 -1.355 1.00 0.00 N ATOM 921 CA LEU A 84 -6.549 6.034 -0.838 1.00 0.00 C ATOM 922 C LEU A 84 -7.573 6.228 -1.960 1.00 0.00 C ATOM 923 O LEU A 84 -8.753 5.931 -1.767 1.00 0.00 O ATOM 924 CB LEU A 84 -6.676 7.202 0.156 1.00 0.00 C ATOM 925 CG LEU A 84 -5.865 7.170 1.450 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.721 7.682 2.604 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.340 5.792 1.805 1.00 0.00 C ATOM 0 H LEU A 84 -4.573 6.689 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.761 5.095 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.410 8.116 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.728 7.287 0.430 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.999 7.811 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.140 7.658 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.034 8.706 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.601 7.048 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.774 5.847 2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.177 5.105 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.691 5.433 1.006 1.00 0.00 H new ATOM 939 N GLU A 85 -7.124 6.675 -3.125 1.00 0.00 N ATOM 940 CA GLU A 85 -7.922 6.704 -4.348 1.00 0.00 C ATOM 941 C GLU A 85 -7.515 5.664 -5.427 1.00 0.00 C ATOM 942 O GLU A 85 -8.203 5.561 -6.447 1.00 0.00 O ATOM 943 CB GLU A 85 -7.832 8.103 -4.979 1.00 0.00 C ATOM 944 CG GLU A 85 -8.319 9.288 -4.134 1.00 0.00 C ATOM 945 CD GLU A 85 -8.088 10.640 -4.859 1.00 0.00 C ATOM 946 OE1 GLU A 85 -7.739 10.667 -6.065 1.00 0.00 O ATOM 947 OE2 GLU A 85 -8.294 11.701 -4.217 1.00 0.00 O ATOM 0 H GLU A 85 -6.178 7.035 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.934 6.447 -4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.792 8.285 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.404 8.092 -5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.380 9.168 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.796 9.293 -3.178 1.00 0.00 H new ATOM 954 N ARG A 86 -6.422 4.897 -5.260 1.00 0.00 N ATOM 955 CA ARG A 86 -5.782 4.061 -6.295 1.00 0.00 C ATOM 956 C ARG A 86 -5.848 2.589 -5.943 1.00 0.00 C ATOM 957 O ARG A 86 -5.989 1.760 -6.834 1.00 0.00 O ATOM 958 CB ARG A 86 -4.306 4.517 -6.457 1.00 0.00 C ATOM 959 CG ARG A 86 -4.032 5.512 -7.610 1.00 0.00 C ATOM 960 CD ARG A 86 -5.053 6.655 -7.511 1.00 0.00 C ATOM 961 NE ARG A 86 -4.758 7.918 -8.193 1.00 0.00 N ATOM 962 CZ ARG A 86 -5.607 8.924 -8.059 1.00 0.00 C ATOM 963 NH1 ARG A 86 -6.898 8.754 -8.026 1.00 0.00 N ATOM 964 NH2 ARG A 86 -5.205 10.138 -7.860 1.00 0.00 N ATOM 0 H ARG A 86 -5.940 4.840 -4.363 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.319 4.188 -7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.982 4.975 -5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.687 3.633 -6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.017 5.902 -7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.116 5.010 -8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.003 6.285 -7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.202 6.876 -6.454 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.916 8.020 -8.759 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.291 7.816 -8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.516 9.559 -7.921 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.207 10.342 -7.802 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.886 10.891 -7.761 1.00 0.00 H new ATOM 978 N LEU A 87 -5.783 2.283 -4.646 1.00 0.00 N ATOM 979 CA LEU A 87 -5.780 0.962 -4.065 1.00 0.00 C ATOM 980 C LEU A 87 -7.036 0.684 -3.234 1.00 0.00 C ATOM 981 O LEU A 87 -7.220 -0.436 -2.772 1.00 0.00 O ATOM 982 CB LEU A 87 -4.478 0.762 -3.288 1.00 0.00 C ATOM 983 CG LEU A 87 -3.299 0.398 -4.169 1.00 0.00 C ATOM 984 CD1 LEU A 87 -2.889 1.449 -5.176 1.00 0.00 C ATOM 985 CD2 LEU A 87 -2.086 -0.011 -3.348 1.00 0.00 C ATOM 0 H LEU A 87 -5.728 3.011 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.816 0.220 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.245 1.677 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.624 -0.023 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.669 -0.449 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.038 1.088 -5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.722 1.654 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.611 2.364 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.263 -0.264 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.788 0.815 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.336 -0.878 -2.736 1.00 0.00 H new ATOM 997 N ASN A 88 -7.919 1.671 -3.052 1.00 0.00 N ATOM 998 CA ASN A 88 -9.092 1.495 -2.201 1.00 0.00 C ATOM 999 C ASN A 88 -10.195 0.658 -2.871 1.00 0.00 C ATOM 1000 O ASN A 88 -10.936 1.138 -3.730 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.594 2.841 -1.669 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.549 2.642 -0.520 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -10.468 1.675 0.224 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -11.472 3.547 -0.328 1.00 0.00 N ATOM 0 H ASN A 88 -7.842 2.593 -3.481 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.781 0.909 -1.336 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.748 3.446 -1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.090 3.391 -2.469 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.129 3.449 0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.535 4.352 -0.952 1.00 0.00 H new ATOM 1011 N ASN A 89 -10.299 -0.597 -2.436 1.00 0.00 N ATOM 1012 CA ASN A 89 -11.224 -1.621 -2.911 1.00 0.00 C ATOM 1013 C ASN A 89 -10.998 -1.960 -4.397 1.00 0.00 C ATOM 1014 O ASN A 89 -11.941 -2.031 -5.189 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.647 -1.285 -2.430 1.00 0.00 C ATOM 1016 CG ASN A 89 -13.518 -2.525 -2.321 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -14.412 -2.771 -3.123 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -13.286 -3.343 -1.318 1.00 0.00 N ATOM 0 H ASN A 89 -9.697 -0.948 -1.691 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.024 -2.592 -2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.595 -0.792 -1.459 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.106 -0.579 -3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.851 -4.185 -1.206 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.541 -3.136 -0.652 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.722 -2.160 -4.771 1.00 0.00 N ATOM 1026 CA ILE A 90 -9.273 -2.531 -6.125 1.00 0.00 C ATOM 1027 C ILE A 90 -8.814 -3.972 -6.173 1.00 0.00 C ATOM 1028 O ILE A 90 -8.211 -4.476 -5.231 1.00 0.00 O ATOM 1029 CB ILE A 90 -8.185 -1.596 -6.702 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.791 -1.645 -6.087 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -8.745 -0.161 -6.665 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -5.847 -2.745 -6.565 1.00 0.00 C ATOM 0 H ILE A 90 -8.947 -2.064 -4.115 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.147 -2.412 -6.765 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.993 -1.966 -7.709 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.309 -0.685 -6.271 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.903 -1.744 -5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.003 0.530 -7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.652 -0.109 -7.267 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.977 0.113 -5.636 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.894 -2.658 -6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.288 -3.719 -6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.684 -2.644 -7.638 1.00 0.00 H new ATOM 1044 N GLU A 91 -9.097 -4.626 -7.300 1.00 0.00 N ATOM 1045 CA GLU A 91 -8.658 -5.984 -7.579 1.00 0.00 C ATOM 1046 C GLU A 91 -7.146 -6.046 -7.848 1.00 0.00 C ATOM 1047 O GLU A 91 -6.627 -5.593 -8.866 1.00 0.00 O ATOM 1048 CB GLU A 91 -9.501 -6.556 -8.708 1.00 0.00 C ATOM 1049 CG GLU A 91 -9.134 -7.983 -9.128 1.00 0.00 C ATOM 1050 CD GLU A 91 -8.846 -8.093 -10.640 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -9.808 -8.106 -11.441 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -7.657 -8.181 -11.025 1.00 0.00 O ATOM 0 H GLU A 91 -9.647 -4.216 -8.054 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.812 -6.610 -6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.548 -6.540 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.411 -5.903 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.257 -8.310 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.949 -8.658 -8.866 1.00 0.00 H new ATOM 1059 N PHE A 92 -6.448 -6.631 -6.877 1.00 0.00 N ATOM 1060 CA PHE A 92 -5.032 -6.959 -6.894 1.00 0.00 C ATOM 1061 C PHE A 92 -4.785 -8.229 -7.728 1.00 0.00 C ATOM 1062 O PHE A 92 -4.651 -9.317 -7.162 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.596 -7.145 -5.425 1.00 0.00 C ATOM 1064 CG PHE A 92 -3.145 -7.465 -5.075 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -2.158 -7.771 -6.037 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -2.786 -7.459 -3.709 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -0.840 -8.052 -5.652 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -1.465 -7.730 -3.322 1.00 0.00 C ATOM 1069 CZ PHE A 92 -0.494 -8.018 -4.289 1.00 0.00 C ATOM 0 H PHE A 92 -6.891 -6.905 -6.000 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.447 -6.166 -7.359 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.859 -6.230 -4.895 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.210 -7.943 -5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.422 -7.789 -7.084 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.532 -7.245 -2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.095 -8.293 -6.396 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.196 -7.716 -2.276 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.524 -8.215 -3.987 1.00 0.00 H new ATOM 1079 N ARG A 93 -4.752 -8.107 -9.059 1.00 0.00 N ATOM 1080 CA ARG A 93 -4.472 -9.179 -10.047 1.00 0.00 C ATOM 1081 C ARG A 93 -5.360 -10.446 -9.973 1.00 0.00 C ATOM 1082 O ARG A 93 -5.147 -11.388 -10.743 1.00 0.00 O ATOM 1083 CB ARG A 93 -2.987 -9.591 -9.957 1.00 0.00 C ATOM 1084 CG ARG A 93 -1.968 -8.472 -10.222 1.00 0.00 C ATOM 1085 CD ARG A 93 -0.577 -9.037 -9.909 1.00 0.00 C ATOM 1086 NE ARG A 93 0.513 -8.173 -10.385 1.00 0.00 N ATOM 1087 CZ ARG A 93 1.788 -8.308 -10.087 1.00 0.00 C ATOM 1088 NH1 ARG A 93 2.237 -9.155 -9.205 1.00 0.00 N ATOM 1089 NH2 ARG A 93 2.677 -7.584 -10.683 1.00 0.00 N ATOM 0 H ARG A 93 -4.929 -7.210 -9.512 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.721 -8.728 -11.007 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.802 -9.998 -8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.808 -10.396 -10.670 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.023 -8.140 -11.259 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.180 -7.604 -9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.480 -9.175 -8.832 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.479 -10.022 -10.366 1.00 0.00 H new ATOM 0 HE ARG A 93 0.259 -7.401 -11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.588 -9.760 -8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.238 -9.213 -9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.392 -6.904 -11.388 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.664 -7.692 -10.449 1.00 0.00 H new ATOM 1103 N GLY A 94 -6.317 -10.508 -9.049 1.00 0.00 N ATOM 1104 CA GLY A 94 -7.084 -11.704 -8.690 1.00 0.00 C ATOM 1105 C GLY A 94 -7.561 -11.710 -7.231 1.00 0.00 C ATOM 1106 O GLY A 94 -8.536 -12.401 -6.921 1.00 0.00 O ATOM 0 H GLY A 94 -6.593 -9.691 -8.505 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.950 -11.782 -9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.469 -12.587 -8.867 1.00 0.00 H new ATOM 1110 N SER A 95 -6.929 -10.935 -6.335 1.00 0.00 N ATOM 1111 CA SER A 95 -7.425 -10.652 -4.996 1.00 0.00 C ATOM 1112 C SER A 95 -8.026 -9.248 -5.058 1.00 0.00 C ATOM 1113 O SER A 95 -8.155 -8.678 -6.134 1.00 0.00 O ATOM 1114 CB SER A 95 -6.253 -10.696 -4.002 1.00 0.00 C ATOM 1115 OG SER A 95 -5.706 -12.001 -3.921 1.00 0.00 O ATOM 0 H SER A 95 -6.038 -10.481 -6.535 1.00 0.00 H new ATOM 0 HA SER A 95 -8.167 -11.379 -4.668 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.481 -9.993 -4.313 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.595 -10.379 -3.017 1.00 0.00 H new ATOM 0 HG SER A 95 -4.911 -11.987 -3.348 1.00 0.00 H new ATOM 1121 N VAL A 96 -8.373 -8.634 -3.937 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.708 -7.197 -3.867 1.00 0.00 C ATOM 1123 C VAL A 96 -8.258 -6.699 -2.492 1.00 0.00 C ATOM 1124 O VAL A 96 -8.289 -7.465 -1.521 1.00 0.00 O ATOM 1125 CB VAL A 96 -10.189 -6.848 -4.205 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -11.100 -8.055 -4.392 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -10.876 -5.798 -3.332 1.00 0.00 C ATOM 0 H VAL A 96 -8.434 -9.111 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.173 -6.670 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.048 -6.369 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.110 -7.716 -4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.726 -8.669 -5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.117 -8.644 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.900 -5.652 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.886 -6.136 -2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.332 -4.856 -3.400 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.871 -5.431 -2.387 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.459 -4.748 -1.147 1.00 0.00 C ATOM 1139 C ILE A 97 -8.281 -3.474 -0.945 1.00 0.00 C ATOM 1140 O ILE A 97 -8.675 -2.836 -1.920 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.953 -4.392 -1.139 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -5.474 -3.859 -2.505 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -5.102 -5.574 -0.646 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -4.022 -3.374 -2.540 1.00 0.00 C ATOM 0 H ILE A 97 -7.831 -4.815 -3.199 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.641 -5.445 -0.329 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.817 -3.577 -0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.595 -4.647 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.123 -3.036 -2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.049 -5.292 -0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.401 -5.839 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.252 -6.430 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.781 -3.019 -3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.893 -2.560 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.357 -4.197 -2.277 1.00 0.00 H new ATOM 1156 N THR A 98 -8.481 -3.083 0.297 1.00 0.00 N ATOM 1157 CA THR A 98 -9.105 -1.830 0.757 1.00 0.00 C ATOM 1158 C THR A 98 -8.053 -1.092 1.572 1.00 0.00 C ATOM 1159 O THR A 98 -7.288 -1.730 2.297 1.00 0.00 O ATOM 1160 CB THR A 98 -10.296 -2.130 1.670 1.00 0.00 C ATOM 1161 OG1 THR A 98 -11.278 -2.869 0.961 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.992 -0.899 2.251 1.00 0.00 C ATOM 0 H THR A 98 -8.194 -3.668 1.082 1.00 0.00 H new ATOM 0 HA THR A 98 -9.455 -1.247 -0.095 1.00 0.00 H new ATOM 0 HB THR A 98 -9.867 -2.688 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 98 -12.036 -3.058 1.553 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.822 -1.215 2.883 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.281 -0.325 2.845 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.371 -0.278 1.439 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.977 0.233 1.430 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.844 0.997 1.969 1.00 0.00 C ATOM 1172 C VAL A 99 -7.244 2.332 2.575 1.00 0.00 C ATOM 1173 O VAL A 99 -8.211 2.972 2.155 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.729 1.189 0.933 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -5.390 -0.109 0.205 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -6.125 2.199 -0.111 1.00 0.00 C ATOM 0 H VAL A 99 -8.679 0.798 0.951 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.455 0.385 2.783 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.860 1.534 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.596 0.076 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.057 -0.855 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.275 -0.477 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.315 2.314 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.023 1.857 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.324 3.158 0.367 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.462 2.763 3.560 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.793 3.932 4.373 1.00 0.00 C ATOM 1188 C GLU A 100 -5.621 4.434 5.224 1.00 0.00 C ATOM 1189 O GLU A 100 -4.739 3.674 5.624 1.00 0.00 O ATOM 1190 CB GLU A 100 -7.941 3.550 5.339 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.668 2.327 6.240 1.00 0.00 C ATOM 1192 CD GLU A 100 -8.670 1.190 5.985 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -8.564 0.486 4.960 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -9.544 0.939 6.856 1.00 0.00 O ATOM 0 H GLU A 100 -5.583 2.314 3.818 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.070 4.729 3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.158 4.408 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.838 3.354 4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.655 1.965 6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.720 2.628 7.286 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.660 5.728 5.539 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.798 6.388 6.527 1.00 0.00 C ATOM 1203 C ARG A 101 -4.877 5.686 7.889 1.00 0.00 C ATOM 1204 O ARG A 101 -5.959 5.307 8.347 1.00 0.00 O ATOM 1205 CB ARG A 101 -5.178 7.875 6.564 1.00 0.00 C ATOM 1206 CG ARG A 101 -6.611 8.139 7.049 1.00 0.00 C ATOM 1207 CD ARG A 101 -7.148 9.511 6.619 1.00 0.00 C ATOM 1208 NE ARG A 101 -6.929 10.531 7.654 1.00 0.00 N ATOM 1209 CZ ARG A 101 -7.588 11.659 7.832 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -8.565 12.030 7.045 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -7.266 12.443 8.814 1.00 0.00 N ATOM 0 H ARG A 101 -6.316 6.372 5.098 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.748 6.315 6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.481 8.402 7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -5.060 8.295 5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -7.269 7.360 6.662 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.639 8.069 8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.659 9.820 5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -8.214 9.433 6.405 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.175 10.343 8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.841 11.439 6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -9.051 12.910 7.216 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -6.506 12.186 9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -7.773 13.317 8.956 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.724 5.513 8.536 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.540 4.654 9.716 1.00 0.00 C ATOM 1227 C ASP A 102 -2.838 5.314 10.921 1.00 0.00 C ATOM 1228 O ASP A 102 -3.032 4.869 12.053 1.00 0.00 O ATOM 1229 CB ASP A 102 -2.769 3.411 9.256 1.00 0.00 C ATOM 1230 CG ASP A 102 -2.720 2.344 10.345 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -3.762 1.708 10.627 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -1.618 2.107 10.896 1.00 0.00 O ATOM 0 H ASP A 102 -2.864 5.979 8.248 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.532 4.414 10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -3.241 2.999 8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.754 3.694 8.978 1.00 0.00 H new ATOM 1237 N ASP A 103 -2.096 6.410 10.726 1.00 0.00 N ATOM 1238 CA ASP A 103 -1.519 7.255 11.798 1.00 0.00 C ATOM 1239 C ASP A 103 -1.812 8.764 11.597 1.00 0.00 C ATOM 1240 O ASP A 103 -1.304 9.615 12.339 1.00 0.00 O ATOM 1241 CB ASP A 103 -0.002 6.997 11.923 1.00 0.00 C ATOM 1242 CG ASP A 103 0.845 7.769 10.896 1.00 0.00 C ATOM 1243 OD1 ASP A 103 0.322 8.099 9.801 1.00 0.00 O ATOM 1244 OD2 ASP A 103 2.043 8.026 11.157 1.00 0.00 O ATOM 0 H ASP A 103 -1.869 6.751 9.792 1.00 0.00 H new ATOM 0 HA ASP A 103 -2.007 6.970 12.730 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.322 7.271 12.927 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.187 5.930 11.807 1.00 0.00 H new ATOM 1249 N ASN A 104 -2.635 9.078 10.596 1.00 0.00 N ATOM 1250 CA ASN A 104 -2.905 10.402 10.022 1.00 0.00 C ATOM 1251 C ASN A 104 -4.419 10.646 9.916 1.00 0.00 C ATOM 1252 O ASN A 104 -4.846 11.815 10.040 1.00 0.00 O ATOM 1253 CB ASN A 104 -2.157 10.445 8.658 1.00 0.00 C ATOM 1254 CG ASN A 104 -2.148 11.752 7.870 1.00 0.00 C ATOM 1255 OD1 ASN A 104 -1.322 11.947 6.996 1.00 0.00 O ATOM 1256 ND2 ASN A 104 -3.040 12.682 8.114 1.00 0.00 N ATOM 0 H ASN A 104 -3.177 8.354 10.124 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.541 11.214 10.651 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.120 10.161 8.840 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.590 9.676 8.019 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.033 13.549 7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.740 12.539 8.842 1.00 0.00 H new TER 1263 ASN A 104