USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 705 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 91 A O2' : rot 180:sc= 0.467 USER MOD Set 1.2: B 19 TYR OH : rot -75:sc= 0.519 USER MOD Single : A 90 A O2' : rot 16:sc= 0.302 USER MOD Single : A 90 A O5' : rot -70:sc= 1.31 USER MOD Single : A 92 C O2' : rot 26:sc= 0.164 USER MOD Single : A 93 A O2' : rot -77:sc= 0.132 USER MOD Single : A 94 A O2' : rot -32:sc= 0.238 USER MOD Single : A 95 A O2' : rot 180:sc= 0 USER MOD Single : A 95 A O3' : rot -59:sc= 1.25 USER MOD Single : B 13 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 14 ASN : amide:sc= 0.626 K(o=0.63,f=-1.4) USER MOD Single : B 16 CYS SG : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.3) USER MOD Single : B 29 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : B 30 LYS NZ :NH3+ 139:sc= 1.21 (180deg=0.715) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ -167:sc= -0.0045 (180deg=-0.18) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 157:sc= 0.663 (180deg=0.506) USER MOD Single : B 49 ASN : amide:sc= -0.0171 K(o=-0.017,f=-6.2!) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL B 6 -0.075 1.880 -0.476 1.00 0.00 N ATOM 2 CA VAL B 6 1.054 2.756 -0.849 1.00 0.00 C ATOM 3 C VAL B 6 0.765 3.529 -2.130 1.00 0.00 C ATOM 4 O VAL B 6 0.567 4.740 -2.081 1.00 0.00 O ATOM 5 CB VAL B 6 2.378 1.983 -0.951 1.00 0.00 C ATOM 6 CG1 VAL B 6 3.543 2.967 -1.070 1.00 0.00 C ATOM 7 CG2 VAL B 6 2.598 1.092 0.271 1.00 0.00 C ATOM 0 HA VAL B 6 1.168 3.481 -0.043 1.00 0.00 H new ATOM 0 HB VAL B 6 2.329 1.350 -1.837 1.00 0.00 H new ATOM 0 HG11 VAL B 6 4.480 2.415 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL B 6 3.413 3.579 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL B 6 3.568 3.610 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL B 6 3.543 0.559 0.167 1.00 0.00 H new ATOM 0 HG22 VAL B 6 2.625 1.708 1.170 1.00 0.00 H new ATOM 0 HG23 VAL B 6 1.783 0.373 0.348 1.00 0.00 H new ATOM 17 N ILE B 7 0.743 2.820 -3.269 1.00 0.00 N ATOM 18 CA ILE B 7 0.563 3.369 -4.618 1.00 0.00 C ATOM 19 C ILE B 7 1.675 4.345 -5.032 1.00 0.00 C ATOM 20 O ILE B 7 2.103 4.331 -6.185 1.00 0.00 O ATOM 21 CB ILE B 7 -0.839 3.985 -4.741 1.00 0.00 C ATOM 22 CG1 ILE B 7 -1.891 2.878 -4.624 1.00 0.00 C ATOM 23 CG2 ILE B 7 -1.011 4.690 -6.090 1.00 0.00 C ATOM 24 CD1 ILE B 7 -3.155 3.428 -3.966 1.00 0.00 C ATOM 0 H ILE B 7 0.855 1.806 -3.273 1.00 0.00 H new ATOM 0 HA ILE B 7 0.645 2.545 -5.327 1.00 0.00 H new ATOM 0 HB ILE B 7 -0.964 4.716 -3.943 1.00 0.00 H new ATOM 0 HG12 ILE B 7 -2.127 2.483 -5.612 1.00 0.00 H new ATOM 0 HG13 ILE B 7 -1.496 2.050 -4.036 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -2.012 5.118 -6.152 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.271 5.485 -6.182 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.873 3.970 -6.897 1.00 0.00 H new ATOM 0 HD11 ILE B 7 -3.898 2.635 -3.886 1.00 0.00 H new ATOM 0 HD12 ILE B 7 -2.914 3.801 -2.970 1.00 0.00 H new ATOM 0 HD13 ILE B 7 -3.556 4.241 -4.571 1.00 0.00 H new ATOM 36 N ARG B 8 2.147 5.185 -4.107 1.00 0.00 N ATOM 37 CA ARG B 8 3.220 6.134 -4.364 1.00 0.00 C ATOM 38 C ARG B 8 3.846 6.599 -3.054 1.00 0.00 C ATOM 39 O ARG B 8 5.037 6.888 -3.011 1.00 0.00 O ATOM 40 CB ARG B 8 2.654 7.322 -5.151 1.00 0.00 C ATOM 41 CG ARG B 8 3.677 8.447 -5.329 1.00 0.00 C ATOM 42 CD ARG B 8 3.601 9.466 -4.183 1.00 0.00 C ATOM 43 NE ARG B 8 4.397 10.655 -4.495 1.00 0.00 N ATOM 44 CZ ARG B 8 3.913 11.749 -5.084 1.00 0.00 C ATOM 45 NH1 ARG B 8 2.628 11.832 -5.415 1.00 0.00 N ATOM 46 NH2 ARG B 8 4.721 12.771 -5.345 1.00 0.00 N ATOM 0 H ARG B 8 1.789 5.222 -3.153 1.00 0.00 H new ATOM 0 HA ARG B 8 4.002 5.653 -4.951 1.00 0.00 H new ATOM 0 HB2 ARG B 8 2.321 6.979 -6.131 1.00 0.00 H new ATOM 0 HB3 ARG B 8 1.777 7.711 -4.634 1.00 0.00 H new ATOM 0 HG2 ARG B 8 4.680 8.023 -5.374 1.00 0.00 H new ATOM 0 HG3 ARG B 8 3.501 8.953 -6.279 1.00 0.00 H new ATOM 0 HD2 ARG B 8 2.563 9.752 -4.012 1.00 0.00 H new ATOM 0 HD3 ARG B 8 3.963 9.011 -3.261 1.00 0.00 H new ATOM 0 HE ARG B 8 5.386 10.646 -4.246 1.00 0.00 H new ATOM 0 HH11 ARG B 8 1.999 11.053 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG B 8 2.271 12.675 -5.865 1.00 0.00 H new ATOM 0 HH21 ARG B 8 5.708 12.717 -5.095 1.00 0.00 H new ATOM 0 HH22 ARG B 8 4.354 13.609 -5.795 1.00 0.00 H new ATOM 60 N GLY B 9 3.046 6.671 -1.985 1.00 0.00 N ATOM 61 CA GLY B 9 3.508 7.212 -0.719 1.00 0.00 C ATOM 62 C GLY B 9 2.492 7.000 0.406 1.00 0.00 C ATOM 63 O GLY B 9 2.835 6.406 1.428 1.00 0.00 O ATOM 0 H GLY B 9 2.075 6.359 -1.979 1.00 0.00 H new ATOM 0 HA2 GLY B 9 4.452 6.740 -0.447 1.00 0.00 H new ATOM 0 HA3 GLY B 9 3.705 8.278 -0.832 1.00 0.00 H new ATOM 67 N PRO B 10 1.246 7.470 0.231 1.00 0.00 N ATOM 68 CA PRO B 10 0.206 7.396 1.246 1.00 0.00 C ATOM 69 C PRO B 10 -0.105 5.962 1.674 1.00 0.00 C ATOM 70 O PRO B 10 -0.228 5.070 0.834 1.00 0.00 O ATOM 71 CB PRO B 10 -1.026 8.062 0.632 1.00 0.00 C ATOM 72 CG PRO B 10 -0.479 8.918 -0.510 1.00 0.00 C ATOM 73 CD PRO B 10 0.777 8.171 -0.948 1.00 0.00 C ATOM 0 HA PRO B 10 0.533 7.898 2.156 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -1.735 7.320 0.265 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -1.553 8.672 1.366 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -1.198 9.006 -1.325 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -0.248 9.930 -0.178 1.00 0.00 H new ATOM 0 HD2 PRO B 10 0.556 7.474 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO B 10 1.534 8.862 -1.320 1.00 0.00 H new ATOM 81 N ALA B 11 -0.235 5.764 2.992 1.00 0.00 N ATOM 82 CA ALA B 11 -0.609 4.498 3.613 1.00 0.00 C ATOM 83 C ALA B 11 0.332 3.339 3.258 1.00 0.00 C ATOM 84 O ALA B 11 1.195 3.456 2.390 1.00 0.00 O ATOM 85 CB ALA B 11 -2.065 4.171 3.261 1.00 0.00 C ATOM 0 H ALA B 11 -0.077 6.507 3.672 1.00 0.00 H new ATOM 0 HA ALA B 11 -0.512 4.621 4.692 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -2.348 3.225 3.724 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -2.715 4.964 3.630 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -2.169 4.091 2.179 1.00 0.00 H new ATOM 91 N GLY B 12 0.151 2.208 3.948 1.00 0.00 N ATOM 92 CA GLY B 12 0.923 0.996 3.717 1.00 0.00 C ATOM 93 C GLY B 12 2.333 1.092 4.291 1.00 0.00 C ATOM 94 O GLY B 12 2.762 2.153 4.750 1.00 0.00 O ATOM 0 H GLY B 12 -0.544 2.114 4.689 1.00 0.00 H new ATOM 0 HA2 GLY B 12 0.407 0.148 4.166 1.00 0.00 H new ATOM 0 HA3 GLY B 12 0.981 0.803 2.646 1.00 0.00 H new ATOM 98 N ASN B 13 3.058 -0.029 4.264 1.00 0.00 N ATOM 99 CA ASN B 13 4.434 -0.089 4.736 1.00 0.00 C ATOM 100 C ASN B 13 5.381 0.509 3.693 1.00 0.00 C ATOM 101 O ASN B 13 5.014 0.661 2.527 1.00 0.00 O ATOM 102 CB ASN B 13 4.809 -1.544 5.032 1.00 0.00 C ATOM 103 CG ASN B 13 3.923 -2.156 6.112 1.00 0.00 C ATOM 104 OD1 ASN B 13 3.340 -1.446 6.926 1.00 0.00 O ATOM 105 ND2 ASN B 13 3.827 -3.482 6.125 1.00 0.00 N ATOM 0 H ASN B 13 2.703 -0.918 3.913 1.00 0.00 H new ATOM 0 HA ASN B 13 4.526 0.495 5.652 1.00 0.00 H new ATOM 0 HB2 ASN B 13 4.725 -2.133 4.118 1.00 0.00 H new ATOM 0 HB3 ASN B 13 5.851 -1.592 5.348 1.00 0.00 H new ATOM 0 HD21 ASN B 13 3.253 -3.945 6.829 1.00 0.00 H new ATOM 0 HD22 ASN B 13 4.328 -4.036 5.431 1.00 0.00 H new ATOM 112 N ASN B 14 6.606 0.850 4.110 1.00 0.00 N ATOM 113 CA ASN B 14 7.594 1.430 3.216 1.00 0.00 C ATOM 114 C ASN B 14 8.157 0.366 2.271 1.00 0.00 C ATOM 115 O ASN B 14 8.322 -0.791 2.655 1.00 0.00 O ATOM 116 CB ASN B 14 8.715 2.063 4.041 1.00 0.00 C ATOM 117 CG ASN B 14 9.734 2.757 3.143 1.00 0.00 C ATOM 118 OD1 ASN B 14 9.369 3.446 2.197 1.00 0.00 O ATOM 119 ND2 ASN B 14 11.016 2.574 3.442 1.00 0.00 N ATOM 0 H ASN B 14 6.931 0.730 5.069 1.00 0.00 H new ATOM 0 HA ASN B 14 7.118 2.199 2.608 1.00 0.00 H new ATOM 0 HB2 ASN B 14 8.293 2.784 4.741 1.00 0.00 H new ATOM 0 HB3 ASN B 14 9.212 1.295 4.634 1.00 0.00 H new ATOM 0 HD21 ASN B 14 11.740 3.015 2.875 1.00 0.00 H new ATOM 0 HD22 ASN B 14 11.276 1.992 4.239 1.00 0.00 H new ATOM 126 N ASP B 15 8.455 0.772 1.038 1.00 0.00 N ATOM 127 CA ASP B 15 9.099 -0.079 0.044 1.00 0.00 C ATOM 128 C ASP B 15 10.622 0.005 0.196 1.00 0.00 C ATOM 129 O ASP B 15 11.128 0.361 1.262 1.00 0.00 O ATOM 130 CB ASP B 15 8.657 0.358 -1.358 1.00 0.00 C ATOM 131 CG ASP B 15 7.149 0.227 -1.572 1.00 0.00 C ATOM 132 OD1 ASP B 15 6.492 -0.428 -0.731 1.00 0.00 O ATOM 133 OD2 ASP B 15 6.673 0.787 -2.585 1.00 0.00 O ATOM 0 H ASP B 15 8.253 1.713 0.699 1.00 0.00 H new ATOM 0 HA ASP B 15 8.802 -1.117 0.194 1.00 0.00 H new ATOM 0 HB2 ASP B 15 8.954 1.394 -1.521 1.00 0.00 H new ATOM 0 HB3 ASP B 15 9.179 -0.244 -2.102 1.00 0.00 H new ATOM 138 N CYS B 16 11.360 -0.321 -0.871 1.00 0.00 N ATOM 139 CA CYS B 16 12.810 -0.163 -0.902 1.00 0.00 C ATOM 140 C CYS B 16 13.206 1.318 -0.898 1.00 0.00 C ATOM 141 O CYS B 16 14.376 1.652 -1.084 1.00 0.00 O ATOM 142 CB CYS B 16 13.367 -0.865 -2.141 1.00 0.00 C ATOM 143 SG CYS B 16 13.072 -2.646 -1.988 1.00 0.00 S ATOM 0 H CYS B 16 10.966 -0.700 -1.732 1.00 0.00 H new ATOM 0 HA CYS B 16 13.233 -0.617 -0.006 1.00 0.00 H new ATOM 0 HB2 CYS B 16 12.887 -0.479 -3.041 1.00 0.00 H new ATOM 0 HB3 CYS B 16 14.434 -0.667 -2.239 1.00 0.00 H new ATOM 0 HG CYS B 16 13.539 -3.255 -3.037 1.00 0.00 H new ATOM 149 N ARG B 17 12.231 2.207 -0.688 1.00 0.00 N ATOM 150 CA ARG B 17 12.447 3.646 -0.674 1.00 0.00 C ATOM 151 C ARG B 17 13.171 4.116 0.580 1.00 0.00 C ATOM 152 O ARG B 17 13.134 3.456 1.619 1.00 0.00 O ATOM 153 CB ARG B 17 11.107 4.372 -0.807 1.00 0.00 C ATOM 154 CG ARG B 17 10.638 4.352 -2.259 1.00 0.00 C ATOM 155 CD ARG B 17 9.282 5.042 -2.379 1.00 0.00 C ATOM 156 NE ARG B 17 8.907 5.224 -3.785 1.00 0.00 N ATOM 157 CZ ARG B 17 8.328 6.329 -4.263 1.00 0.00 C ATOM 158 NH1 ARG B 17 8.036 7.342 -3.450 1.00 0.00 N ATOM 159 NH2 ARG B 17 8.041 6.420 -5.556 1.00 0.00 N ATOM 0 H ARG B 17 11.261 1.939 -0.522 1.00 0.00 H new ATOM 0 HA ARG B 17 13.087 3.886 -1.523 1.00 0.00 H new ATOM 0 HB2 ARG B 17 10.362 3.895 -0.170 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.207 5.402 -0.464 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.369 4.855 -2.893 1.00 0.00 H new ATOM 0 HG3 ARG B 17 10.564 3.323 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.522 4.449 -1.870 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.317 6.011 -1.880 1.00 0.00 H new ATOM 0 HE ARG B 17 9.099 4.463 -4.436 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.254 7.277 -2.456 1.00 0.00 H new ATOM 0 HH12 ARG B 17 7.594 8.183 -3.821 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.263 5.647 -6.183 1.00 0.00 H new ATOM 0 HH22 ARG B 17 7.599 7.263 -5.922 1.00 0.00 H new ATOM 173 N ILE B 18 13.823 5.275 0.464 1.00 0.00 N ATOM 174 CA ILE B 18 14.454 5.967 1.581 1.00 0.00 C ATOM 175 C ILE B 18 14.048 7.435 1.537 1.00 0.00 C ATOM 176 O ILE B 18 13.364 7.868 0.612 1.00 0.00 O ATOM 177 CB ILE B 18 15.979 5.813 1.520 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.573 6.629 0.364 1.00 0.00 C ATOM 179 CG2 ILE B 18 16.366 4.339 1.410 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.101 6.613 0.414 1.00 0.00 C ATOM 0 H ILE B 18 13.927 5.764 -0.425 1.00 0.00 H new ATOM 0 HA ILE B 18 14.122 5.529 2.522 1.00 0.00 H new ATOM 0 HB ILE B 18 16.397 6.206 2.447 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.232 6.221 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.214 7.657 0.417 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.452 4.250 1.368 1.00 0.00 H new ATOM 0 HG22 ILE B 18 15.991 3.799 2.279 1.00 0.00 H new ATOM 0 HG23 ILE B 18 15.932 3.915 0.504 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.498 7.198 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.439 7.044 1.357 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.457 5.586 0.337 1.00 0.00 H new ATOM 192 N TYR B 19 14.480 8.185 2.546 1.00 0.00 N ATOM 193 CA TYR B 19 14.098 9.582 2.719 1.00 0.00 C ATOM 194 C TYR B 19 15.265 10.566 2.694 1.00 0.00 C ATOM 195 O TYR B 19 16.373 10.239 3.122 1.00 0.00 O ATOM 196 CB TYR B 19 13.175 9.746 3.933 1.00 0.00 C ATOM 197 CG TYR B 19 13.189 11.122 4.558 1.00 0.00 C ATOM 198 CD1 TYR B 19 14.251 11.488 5.402 1.00 0.00 C ATOM 199 CD2 TYR B 19 12.148 12.029 4.312 1.00 0.00 C ATOM 200 CE1 TYR B 19 14.274 12.758 5.995 1.00 0.00 C ATOM 201 CE2 TYR B 19 12.162 13.299 4.913 1.00 0.00 C ATOM 202 CZ TYR B 19 13.237 13.672 5.744 1.00 0.00 C ATOM 203 OH TYR B 19 13.266 14.912 6.302 1.00 0.00 O ATOM 0 H TYR B 19 15.109 7.838 3.271 1.00 0.00 H new ATOM 0 HA TYR B 19 13.526 9.860 1.834 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.155 9.510 3.631 1.00 0.00 H new ATOM 0 HB3 TYR B 19 13.460 9.015 4.690 1.00 0.00 H new ATOM 0 HD1 TYR B 19 15.052 10.789 5.594 1.00 0.00 H new ATOM 0 HD2 TYR B 19 11.334 11.751 3.659 1.00 0.00 H new ATOM 0 HE1 TYR B 19 15.090 13.034 6.646 1.00 0.00 H new ATOM 0 HE2 TYR B 19 11.349 13.989 4.738 1.00 0.00 H new ATOM 0 HH TYR B 19 13.038 14.848 7.253 1.00 0.00 H new ATOM 213 N VAL B 20 15.004 11.777 2.187 1.00 0.00 N ATOM 214 CA VAL B 20 16.002 12.828 2.076 1.00 0.00 C ATOM 215 C VAL B 20 15.448 14.144 2.609 1.00 0.00 C ATOM 216 O VAL B 20 14.292 14.477 2.349 1.00 0.00 O ATOM 217 CB VAL B 20 16.463 12.974 0.620 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.631 13.958 0.533 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.897 11.625 0.043 1.00 0.00 C ATOM 0 H VAL B 20 14.084 12.049 1.841 1.00 0.00 H new ATOM 0 HA VAL B 20 16.868 12.556 2.680 1.00 0.00 H new ATOM 0 HB VAL B 20 15.621 13.350 0.039 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.950 14.054 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL B 20 17.315 14.932 0.907 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.462 13.591 1.135 1.00 0.00 H new ATOM 0 HG21 VAL B 20 17.219 11.758 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.723 11.226 0.632 1.00 0.00 H new ATOM 0 HG23 VAL B 20 16.059 10.929 0.075 1.00 0.00 H new ATOM 229 N GLY B 21 16.271 14.892 3.354 1.00 0.00 N ATOM 230 CA GLY B 21 15.854 16.143 3.970 1.00 0.00 C ATOM 231 C GLY B 21 16.982 17.174 3.963 1.00 0.00 C ATOM 232 O GLY B 21 18.075 16.907 3.464 1.00 0.00 O ATOM 0 H GLY B 21 17.242 14.642 3.542 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.991 16.542 3.437 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.536 15.957 4.996 1.00 0.00 H new ATOM 236 N ASN B 22 16.699 18.357 4.520 1.00 0.00 N ATOM 237 CA ASN B 22 17.595 19.506 4.483 1.00 0.00 C ATOM 238 C ASN B 22 17.902 19.928 3.040 1.00 0.00 C ATOM 239 O ASN B 22 18.934 20.541 2.778 1.00 0.00 O ATOM 240 CB ASN B 22 18.866 19.229 5.292 1.00 0.00 C ATOM 241 CG ASN B 22 19.718 20.481 5.447 1.00 0.00 C ATOM 242 OD1 ASN B 22 19.199 21.585 5.574 1.00 0.00 O ATOM 243 ND2 ASN B 22 21.037 20.315 5.436 1.00 0.00 N ATOM 0 H ASN B 22 15.826 18.540 5.015 1.00 0.00 H new ATOM 0 HA ASN B 22 17.090 20.350 4.953 1.00 0.00 H new ATOM 0 HB2 ASN B 22 18.595 18.849 6.277 1.00 0.00 H new ATOM 0 HB3 ASN B 22 19.449 18.451 4.799 1.00 0.00 H new ATOM 0 HD21 ASN B 22 21.653 21.122 5.535 1.00 0.00 H new ATOM 0 HD22 ASN B 22 21.433 19.381 5.328 1.00 0.00 H new ATOM 250 N LEU B 23 17.009 19.600 2.098 1.00 0.00 N ATOM 251 CA LEU B 23 17.170 20.016 0.714 1.00 0.00 C ATOM 252 C LEU B 23 16.917 21.524 0.604 1.00 0.00 C ATOM 253 O LEU B 23 16.027 22.042 1.278 1.00 0.00 O ATOM 254 CB LEU B 23 16.204 19.240 -0.181 1.00 0.00 C ATOM 255 CG LEU B 23 16.520 17.738 -0.181 1.00 0.00 C ATOM 256 CD1 LEU B 23 15.448 17.004 -0.984 1.00 0.00 C ATOM 257 CD2 LEU B 23 17.883 17.478 -0.822 1.00 0.00 C ATOM 0 H LEU B 23 16.170 19.048 2.277 1.00 0.00 H new ATOM 0 HA LEU B 23 18.187 19.803 0.384 1.00 0.00 H new ATOM 0 HB2 LEU B 23 15.182 19.398 0.163 1.00 0.00 H new ATOM 0 HB3 LEU B 23 16.261 19.625 -1.199 1.00 0.00 H new ATOM 0 HG LEU B 23 16.537 17.381 0.849 1.00 0.00 H new ATOM 0 HD11 LEU B 23 15.665 15.936 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU B 23 14.472 17.174 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU B 23 15.441 17.378 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU B 23 18.091 16.408 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU B 23 17.876 17.838 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU B 23 18.656 18.002 -0.259 1.00 0.00 H new ATOM 269 N PRO B 24 17.681 22.234 -0.237 1.00 0.00 N ATOM 270 CA PRO B 24 17.493 23.658 -0.478 1.00 0.00 C ATOM 271 C PRO B 24 16.094 23.944 -1.029 1.00 0.00 C ATOM 272 O PRO B 24 15.458 23.053 -1.592 1.00 0.00 O ATOM 273 CB PRO B 24 18.568 24.058 -1.492 1.00 0.00 C ATOM 274 CG PRO B 24 19.605 22.937 -1.426 1.00 0.00 C ATOM 275 CD PRO B 24 18.798 21.716 -1.001 1.00 0.00 C ATOM 0 HA PRO B 24 17.582 24.229 0.446 1.00 0.00 H new ATOM 0 HB2 PRO B 24 18.151 24.152 -2.494 1.00 0.00 H new ATOM 0 HB3 PRO B 24 19.011 25.022 -1.240 1.00 0.00 H new ATOM 0 HG2 PRO B 24 20.087 22.781 -2.391 1.00 0.00 H new ATOM 0 HG3 PRO B 24 20.394 23.164 -0.709 1.00 0.00 H new ATOM 0 HD2 PRO B 24 18.452 21.153 -1.868 1.00 0.00 H new ATOM 0 HD3 PRO B 24 19.402 21.036 -0.400 1.00 0.00 H new ATOM 283 N PRO B 25 15.605 25.181 -0.879 1.00 0.00 N ATOM 284 CA PRO B 25 14.318 25.598 -1.406 1.00 0.00 C ATOM 285 C PRO B 25 14.362 25.676 -2.935 1.00 0.00 C ATOM 286 O PRO B 25 13.320 25.694 -3.587 1.00 0.00 O ATOM 287 CB PRO B 25 14.062 26.974 -0.793 1.00 0.00 C ATOM 288 CG PRO B 25 15.461 27.516 -0.501 1.00 0.00 C ATOM 289 CD PRO B 25 16.276 26.265 -0.190 1.00 0.00 C ATOM 0 HA PRO B 25 13.525 24.893 -1.158 1.00 0.00 H new ATOM 0 HB2 PRO B 25 13.519 27.622 -1.480 1.00 0.00 H new ATOM 0 HB3 PRO B 25 13.465 26.901 0.116 1.00 0.00 H new ATOM 0 HG2 PRO B 25 15.867 28.056 -1.356 1.00 0.00 H new ATOM 0 HG3 PRO B 25 15.454 28.209 0.340 1.00 0.00 H new ATOM 0 HD2 PRO B 25 17.304 26.372 -0.535 1.00 0.00 H new ATOM 0 HD3 PRO B 25 16.317 26.081 0.884 1.00 0.00 H new ATOM 297 N ASP B 26 15.574 25.724 -3.503 1.00 0.00 N ATOM 298 CA ASP B 26 15.783 25.758 -4.944 1.00 0.00 C ATOM 299 C ASP B 26 15.885 24.360 -5.560 1.00 0.00 C ATOM 300 O ASP B 26 16.277 24.224 -6.719 1.00 0.00 O ATOM 301 CB ASP B 26 17.015 26.609 -5.273 1.00 0.00 C ATOM 302 CG ASP B 26 16.810 28.094 -4.956 1.00 0.00 C ATOM 303 OD1 ASP B 26 15.672 28.462 -4.585 1.00 0.00 O ATOM 304 OD2 ASP B 26 17.800 28.846 -5.092 1.00 0.00 O ATOM 0 H ASP B 26 16.440 25.740 -2.965 1.00 0.00 H new ATOM 0 HA ASP B 26 14.904 26.219 -5.394 1.00 0.00 H new ATOM 0 HB2 ASP B 26 17.870 26.236 -4.709 1.00 0.00 H new ATOM 0 HB3 ASP B 26 17.257 26.497 -6.330 1.00 0.00 H new ATOM 309 N ILE B 27 15.534 23.325 -4.788 1.00 0.00 N ATOM 310 CA ILE B 27 15.619 21.945 -5.240 1.00 0.00 C ATOM 311 C ILE B 27 14.743 21.731 -6.479 1.00 0.00 C ATOM 312 O ILE B 27 13.733 22.412 -6.658 1.00 0.00 O ATOM 313 CB ILE B 27 15.223 21.004 -4.090 1.00 0.00 C ATOM 314 CG1 ILE B 27 15.320 19.524 -4.486 1.00 0.00 C ATOM 315 CG2 ILE B 27 13.780 21.279 -3.655 1.00 0.00 C ATOM 316 CD1 ILE B 27 16.754 19.136 -4.853 1.00 0.00 C ATOM 0 H ILE B 27 15.185 23.428 -3.835 1.00 0.00 H new ATOM 0 HA ILE B 27 16.645 21.717 -5.529 1.00 0.00 H new ATOM 0 HB ILE B 27 15.923 21.198 -3.277 1.00 0.00 H new ATOM 0 HG12 ILE B 27 14.973 18.902 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE B 27 14.661 19.328 -5.332 1.00 0.00 H new ATOM 0 HG21 ILE B 27 13.511 20.607 -2.840 1.00 0.00 H new ATOM 0 HG22 ILE B 27 13.692 22.312 -3.317 1.00 0.00 H new ATOM 0 HG23 ILE B 27 13.108 21.115 -4.498 1.00 0.00 H new ATOM 0 HD11 ILE B 27 16.787 18.082 -5.128 1.00 0.00 H new ATOM 0 HD12 ILE B 27 17.091 19.741 -5.695 1.00 0.00 H new ATOM 0 HD13 ILE B 27 17.408 19.308 -3.998 1.00 0.00 H new ATOM 328 N ARG B 28 15.135 20.779 -7.329 1.00 0.00 N ATOM 329 CA ARG B 28 14.415 20.451 -8.549 1.00 0.00 C ATOM 330 C ARG B 28 14.467 18.946 -8.772 1.00 0.00 C ATOM 331 O ARG B 28 15.452 18.302 -8.413 1.00 0.00 O ATOM 332 CB ARG B 28 15.044 21.222 -9.714 1.00 0.00 C ATOM 333 CG ARG B 28 14.326 20.937 -11.036 1.00 0.00 C ATOM 334 CD ARG B 28 15.000 21.705 -12.174 1.00 0.00 C ATOM 335 NE ARG B 28 16.380 21.244 -12.377 1.00 0.00 N ATOM 336 CZ ARG B 28 16.956 21.073 -13.571 1.00 0.00 C ATOM 337 NH1 ARG B 28 16.292 21.344 -14.693 1.00 0.00 N ATOM 338 NH2 ARG B 28 18.206 20.631 -13.638 1.00 0.00 N ATOM 0 H ARG B 28 15.970 20.212 -7.183 1.00 0.00 H new ATOM 0 HA ARG B 28 13.367 20.741 -8.473 1.00 0.00 H new ATOM 0 HB2 ARG B 28 15.009 22.291 -9.504 1.00 0.00 H new ATOM 0 HB3 ARG B 28 16.095 20.950 -9.805 1.00 0.00 H new ATOM 0 HG2 ARG B 28 14.345 19.868 -11.247 1.00 0.00 H new ATOM 0 HG3 ARG B 28 13.278 21.228 -10.960 1.00 0.00 H new ATOM 0 HD2 ARG B 28 14.430 21.573 -13.094 1.00 0.00 H new ATOM 0 HD3 ARG B 28 14.999 22.771 -11.948 1.00 0.00 H new ATOM 0 HE ARG B 28 16.938 21.040 -11.548 1.00 0.00 H new ATOM 0 HH11 ARG B 28 15.332 21.686 -14.648 1.00 0.00 H new ATOM 0 HH12 ARG B 28 16.743 21.209 -15.598 1.00 0.00 H new ATOM 0 HH21 ARG B 28 18.720 20.424 -12.782 1.00 0.00 H new ATOM 0 HH22 ARG B 28 18.652 20.498 -14.546 1.00 0.00 H new ATOM 352 N THR B 29 13.416 18.380 -9.367 1.00 0.00 N ATOM 353 CA THR B 29 13.317 16.942 -9.565 1.00 0.00 C ATOM 354 C THR B 29 14.441 16.346 -10.407 1.00 0.00 C ATOM 355 O THR B 29 14.787 15.182 -10.237 1.00 0.00 O ATOM 356 CB THR B 29 11.939 16.558 -10.114 1.00 0.00 C ATOM 357 OG1 THR B 29 10.963 17.466 -9.651 1.00 0.00 O ATOM 358 CG2 THR B 29 11.562 15.141 -9.685 1.00 0.00 C ATOM 0 H THR B 29 12.617 18.905 -9.721 1.00 0.00 H new ATOM 0 HA THR B 29 13.438 16.499 -8.577 1.00 0.00 H new ATOM 0 HB THR B 29 11.983 16.596 -11.202 1.00 0.00 H new ATOM 0 HG1 THR B 29 10.086 17.214 -10.008 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.580 14.889 -10.086 1.00 0.00 H new ATOM 0 HG22 THR B 29 12.301 14.437 -10.066 1.00 0.00 H new ATOM 0 HG23 THR B 29 11.535 15.085 -8.597 1.00 0.00 H new ATOM 366 N LYS B 30 15.017 17.136 -11.319 1.00 0.00 N ATOM 367 CA LYS B 30 16.098 16.671 -12.176 1.00 0.00 C ATOM 368 C LYS B 30 17.452 16.754 -11.480 1.00 0.00 C ATOM 369 O LYS B 30 18.394 16.082 -11.900 1.00 0.00 O ATOM 370 CB LYS B 30 16.100 17.481 -13.476 1.00 0.00 C ATOM 371 CG LYS B 30 15.240 16.778 -14.527 1.00 0.00 C ATOM 372 CD LYS B 30 16.105 15.938 -15.472 1.00 0.00 C ATOM 373 CE LYS B 30 16.985 14.959 -14.692 1.00 0.00 C ATOM 374 NZ LYS B 30 17.868 14.196 -15.595 1.00 0.00 N ATOM 0 H LYS B 30 14.746 18.106 -11.479 1.00 0.00 H new ATOM 0 HA LYS B 30 15.927 15.619 -12.405 1.00 0.00 H new ATOM 0 HB2 LYS B 30 15.716 18.484 -13.291 1.00 0.00 H new ATOM 0 HB3 LYS B 30 17.120 17.593 -13.844 1.00 0.00 H new ATOM 0 HG2 LYS B 30 14.507 16.139 -14.034 1.00 0.00 H new ATOM 0 HG3 LYS B 30 14.682 17.519 -15.100 1.00 0.00 H new ATOM 0 HD2 LYS B 30 15.465 15.387 -16.161 1.00 0.00 H new ATOM 0 HD3 LYS B 30 16.732 16.594 -16.075 1.00 0.00 H new ATOM 0 HE2 LYS B 30 17.588 15.506 -13.967 1.00 0.00 H new ATOM 0 HE3 LYS B 30 16.356 14.271 -14.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 18.812 14.111 -15.167 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 17.471 13.247 -15.749 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 17.944 14.691 -16.506 1.00 0.00 H new ATOM 388 N ASP B 31 17.560 17.563 -10.425 1.00 0.00 N ATOM 389 CA ASP B 31 18.812 17.695 -9.699 1.00 0.00 C ATOM 390 C ASP B 31 19.065 16.478 -8.814 1.00 0.00 C ATOM 391 O ASP B 31 20.196 16.010 -8.705 1.00 0.00 O ATOM 392 CB ASP B 31 18.806 18.976 -8.861 1.00 0.00 C ATOM 393 CG ASP B 31 18.762 20.242 -9.724 1.00 0.00 C ATOM 394 OD1 ASP B 31 18.711 20.103 -10.965 1.00 0.00 O ATOM 395 OD2 ASP B 31 18.778 21.339 -9.122 1.00 0.00 O ATOM 0 H ASP B 31 16.796 18.132 -10.060 1.00 0.00 H new ATOM 0 HA ASP B 31 19.622 17.755 -10.426 1.00 0.00 H new ATOM 0 HB2 ASP B 31 17.945 18.965 -8.193 1.00 0.00 H new ATOM 0 HB3 ASP B 31 19.696 18.999 -8.233 1.00 0.00 H new ATOM 400 N ILE B 32 18.006 15.963 -8.186 1.00 0.00 N ATOM 401 CA ILE B 32 18.120 14.810 -7.309 1.00 0.00 C ATOM 402 C ILE B 32 18.219 13.518 -8.125 1.00 0.00 C ATOM 403 O ILE B 32 18.706 12.508 -7.622 1.00 0.00 O ATOM 404 CB ILE B 32 16.929 14.791 -6.336 1.00 0.00 C ATOM 405 CG1 ILE B 32 16.978 13.529 -5.466 1.00 0.00 C ATOM 406 CG2 ILE B 32 15.599 14.835 -7.096 1.00 0.00 C ATOM 407 CD1 ILE B 32 16.000 13.628 -4.297 1.00 0.00 C ATOM 0 H ILE B 32 17.059 16.332 -8.273 1.00 0.00 H new ATOM 0 HA ILE B 32 19.036 14.883 -6.723 1.00 0.00 H new ATOM 0 HB ILE B 32 16.999 15.675 -5.702 1.00 0.00 H new ATOM 0 HG12 ILE B 32 16.737 12.656 -6.073 1.00 0.00 H new ATOM 0 HG13 ILE B 32 17.990 13.384 -5.087 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.773 14.821 -6.385 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.550 15.747 -7.691 1.00 0.00 H new ATOM 0 HG23 ILE B 32 15.527 13.969 -7.754 1.00 0.00 H new ATOM 0 HD11 ILE B 32 16.056 12.719 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE B 32 16.258 14.488 -3.678 1.00 0.00 H new ATOM 0 HD13 ILE B 32 14.986 13.748 -4.680 1.00 0.00 H new ATOM 419 N GLU B 33 17.766 13.538 -9.384 1.00 0.00 N ATOM 420 CA GLU B 33 17.830 12.363 -10.238 1.00 0.00 C ATOM 421 C GLU B 33 19.244 12.163 -10.764 1.00 0.00 C ATOM 422 O GLU B 33 19.712 11.032 -10.850 1.00 0.00 O ATOM 423 CB GLU B 33 16.851 12.510 -11.405 1.00 0.00 C ATOM 424 CG GLU B 33 15.433 12.184 -10.944 1.00 0.00 C ATOM 425 CD GLU B 33 14.403 12.393 -12.056 1.00 0.00 C ATOM 426 OE1 GLU B 33 13.223 12.052 -11.811 1.00 0.00 O ATOM 427 OE2 GLU B 33 14.800 12.891 -13.135 1.00 0.00 O ATOM 0 H GLU B 33 17.352 14.358 -9.827 1.00 0.00 H new ATOM 0 HA GLU B 33 17.552 11.489 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU B 33 16.890 13.526 -11.797 1.00 0.00 H new ATOM 0 HB3 GLU B 33 17.140 11.844 -12.218 1.00 0.00 H new ATOM 0 HG2 GLU B 33 15.392 11.150 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU B 33 15.177 12.812 -10.091 1.00 0.00 H new ATOM 434 N ASP B 34 19.929 13.252 -11.119 1.00 0.00 N ATOM 435 CA ASP B 34 21.282 13.156 -11.647 1.00 0.00 C ATOM 436 C ASP B 34 22.303 12.835 -10.561 1.00 0.00 C ATOM 437 O ASP B 34 23.281 12.137 -10.823 1.00 0.00 O ATOM 438 CB ASP B 34 21.646 14.439 -12.394 1.00 0.00 C ATOM 439 CG ASP B 34 20.852 14.595 -13.695 1.00 0.00 C ATOM 440 OD1 ASP B 34 21.020 15.655 -14.339 1.00 0.00 O ATOM 441 OD2 ASP B 34 20.089 13.661 -14.034 1.00 0.00 O ATOM 0 H ASP B 34 19.568 14.203 -11.049 1.00 0.00 H new ATOM 0 HA ASP B 34 21.308 12.323 -12.350 1.00 0.00 H new ATOM 0 HB2 ASP B 34 21.458 15.298 -11.750 1.00 0.00 H new ATOM 0 HB3 ASP B 34 22.713 14.437 -12.619 1.00 0.00 H new ATOM 446 N VAL B 35 22.083 13.332 -9.341 1.00 0.00 N ATOM 447 CA VAL B 35 22.991 13.071 -8.229 1.00 0.00 C ATOM 448 C VAL B 35 22.841 11.611 -7.813 1.00 0.00 C ATOM 449 O VAL B 35 23.839 10.907 -7.658 1.00 0.00 O ATOM 450 CB VAL B 35 22.644 14.011 -7.066 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.339 13.565 -5.780 1.00 0.00 C ATOM 452 CG2 VAL B 35 23.114 15.424 -7.404 1.00 0.00 C ATOM 0 H VAL B 35 21.283 13.917 -9.102 1.00 0.00 H new ATOM 0 HA VAL B 35 24.025 13.252 -8.522 1.00 0.00 H new ATOM 0 HB VAL B 35 21.565 13.988 -6.916 1.00 0.00 H new ATOM 0 HG11 VAL B 35 23.078 14.246 -4.970 1.00 0.00 H new ATOM 0 HG12 VAL B 35 23.017 12.556 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL B 35 24.419 13.574 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.870 16.095 -6.581 1.00 0.00 H new ATOM 0 HG22 VAL B 35 24.193 15.421 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL B 35 22.616 15.766 -8.311 1.00 0.00 H new ATOM 462 N PHE B 36 21.604 11.142 -7.637 1.00 0.00 N ATOM 463 CA PHE B 36 21.381 9.766 -7.227 1.00 0.00 C ATOM 464 C PHE B 36 21.608 8.734 -8.325 1.00 0.00 C ATOM 465 O PHE B 36 22.031 7.618 -8.034 1.00 0.00 O ATOM 466 CB PHE B 36 20.027 9.601 -6.538 1.00 0.00 C ATOM 467 CG PHE B 36 20.046 10.025 -5.084 1.00 0.00 C ATOM 468 CD1 PHE B 36 20.131 9.053 -4.074 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.980 11.380 -4.736 1.00 0.00 C ATOM 470 CE1 PHE B 36 20.142 9.438 -2.727 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.997 11.766 -3.390 1.00 0.00 C ATOM 472 CZ PHE B 36 20.074 10.795 -2.382 1.00 0.00 C ATOM 0 H PHE B 36 20.755 11.691 -7.771 1.00 0.00 H new ATOM 0 HA PHE B 36 22.157 9.551 -6.493 1.00 0.00 H new ATOM 0 HB2 PHE B 36 19.280 10.188 -7.072 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.718 8.558 -6.602 1.00 0.00 H new ATOM 0 HD1 PHE B 36 20.188 8.007 -4.336 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.916 12.131 -5.510 1.00 0.00 H new ATOM 0 HE1 PHE B 36 20.203 8.688 -1.953 1.00 0.00 H new ATOM 0 HE2 PHE B 36 19.951 12.813 -3.128 1.00 0.00 H new ATOM 0 HZ PHE B 36 20.081 11.091 -1.343 1.00 0.00 H new ATOM 482 N SER B 37 21.341 9.094 -9.582 1.00 0.00 N ATOM 483 CA SER B 37 21.581 8.170 -10.690 1.00 0.00 C ATOM 484 C SER B 37 23.079 7.924 -10.882 1.00 0.00 C ATOM 485 O SER B 37 23.476 6.841 -11.309 1.00 0.00 O ATOM 486 CB SER B 37 20.951 8.722 -11.968 1.00 0.00 C ATOM 487 OG SER B 37 21.249 7.878 -13.060 1.00 0.00 O ATOM 0 H SER B 37 20.965 10.002 -9.855 1.00 0.00 H new ATOM 0 HA SER B 37 21.118 7.212 -10.455 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.871 8.802 -11.845 1.00 0.00 H new ATOM 0 HB3 SER B 37 21.325 9.727 -12.162 1.00 0.00 H new ATOM 0 HG SER B 37 20.840 8.239 -13.874 1.00 0.00 H new ATOM 493 N LYS B 38 23.915 8.919 -10.566 1.00 0.00 N ATOM 494 CA LYS B 38 25.363 8.748 -10.623 1.00 0.00 C ATOM 495 C LYS B 38 25.873 7.972 -9.409 1.00 0.00 C ATOM 496 O LYS B 38 26.910 7.313 -9.494 1.00 0.00 O ATOM 497 CB LYS B 38 26.034 10.121 -10.706 1.00 0.00 C ATOM 498 CG LYS B 38 25.801 10.736 -12.087 1.00 0.00 C ATOM 499 CD LYS B 38 26.405 12.141 -12.129 1.00 0.00 C ATOM 500 CE LYS B 38 26.140 12.805 -13.481 1.00 0.00 C ATOM 501 NZ LYS B 38 26.797 12.066 -14.580 1.00 0.00 N ATOM 0 H LYS B 38 23.611 9.846 -10.270 1.00 0.00 H new ATOM 0 HA LYS B 38 25.614 8.170 -11.512 1.00 0.00 H new ATOM 0 HB2 LYS B 38 25.633 10.778 -9.934 1.00 0.00 H new ATOM 0 HB3 LYS B 38 27.103 10.024 -10.518 1.00 0.00 H new ATOM 0 HG2 LYS B 38 26.254 10.111 -12.856 1.00 0.00 H new ATOM 0 HG3 LYS B 38 24.733 10.781 -12.301 1.00 0.00 H new ATOM 0 HD2 LYS B 38 25.980 12.749 -11.330 1.00 0.00 H new ATOM 0 HD3 LYS B 38 27.479 12.086 -11.950 1.00 0.00 H new ATOM 0 HE2 LYS B 38 25.066 12.851 -13.662 1.00 0.00 H new ATOM 0 HE3 LYS B 38 26.504 13.832 -13.462 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 26.789 12.647 -15.442 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 27.780 11.852 -14.316 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 26.285 11.178 -14.756 1.00 0.00 H new ATOM 515 N TYR B 39 25.153 8.045 -8.287 1.00 0.00 N ATOM 516 CA TYR B 39 25.511 7.317 -7.078 1.00 0.00 C ATOM 517 C TYR B 39 24.972 5.893 -6.957 1.00 0.00 C ATOM 518 O TYR B 39 25.355 5.167 -6.040 1.00 0.00 O ATOM 519 CB TYR B 39 25.216 8.157 -5.836 1.00 0.00 C ATOM 520 CG TYR B 39 26.335 9.105 -5.463 1.00 0.00 C ATOM 521 CD1 TYR B 39 27.031 8.905 -4.265 1.00 0.00 C ATOM 522 CD2 TYR B 39 26.671 10.177 -6.300 1.00 0.00 C ATOM 523 CE1 TYR B 39 28.063 9.772 -3.890 1.00 0.00 C ATOM 524 CE2 TYR B 39 27.707 11.048 -5.936 1.00 0.00 C ATOM 525 CZ TYR B 39 28.408 10.850 -4.726 1.00 0.00 C ATOM 526 OH TYR B 39 29.414 11.699 -4.374 1.00 0.00 O ATOM 0 H TYR B 39 24.309 8.610 -8.196 1.00 0.00 H new ATOM 0 HA TYR B 39 26.586 7.158 -7.162 1.00 0.00 H new ATOM 0 HB2 TYR B 39 24.306 8.732 -6.005 1.00 0.00 H new ATOM 0 HB3 TYR B 39 25.021 7.491 -4.996 1.00 0.00 H new ATOM 0 HD1 TYR B 39 26.769 8.075 -3.625 1.00 0.00 H new ATOM 0 HD2 TYR B 39 26.133 10.332 -7.224 1.00 0.00 H new ATOM 0 HE1 TYR B 39 28.593 9.614 -2.962 1.00 0.00 H new ATOM 0 HE2 TYR B 39 27.970 11.872 -6.582 1.00 0.00 H new ATOM 0 HH TYR B 39 29.520 12.385 -5.065 1.00 0.00 H new ATOM 536 N GLY B 40 24.085 5.473 -7.864 1.00 0.00 N ATOM 537 CA GLY B 40 23.547 4.124 -7.819 1.00 0.00 C ATOM 538 C GLY B 40 22.472 3.890 -8.873 1.00 0.00 C ATOM 539 O GLY B 40 22.065 4.813 -9.578 1.00 0.00 O ATOM 0 H GLY B 40 23.731 6.047 -8.629 1.00 0.00 H new ATOM 0 HA2 GLY B 40 24.356 3.408 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY B 40 23.129 3.936 -6.830 1.00 0.00 H new ATOM 543 N ALA B 41 22.017 2.641 -8.973 1.00 0.00 N ATOM 544 CA ALA B 41 21.003 2.224 -9.929 1.00 0.00 C ATOM 545 C ALA B 41 19.591 2.555 -9.426 1.00 0.00 C ATOM 546 O ALA B 41 18.669 1.755 -9.590 1.00 0.00 O ATOM 547 CB ALA B 41 21.158 0.729 -10.196 1.00 0.00 C ATOM 0 H ALA B 41 22.351 1.881 -8.380 1.00 0.00 H new ATOM 0 HA ALA B 41 21.142 2.773 -10.860 1.00 0.00 H new ATOM 0 HB1 ALA B 41 20.402 0.407 -10.912 1.00 0.00 H new ATOM 0 HB2 ALA B 41 22.150 0.533 -10.603 1.00 0.00 H new ATOM 0 HB3 ALA B 41 21.033 0.178 -9.264 1.00 0.00 H new ATOM 553 N ILE B 42 19.421 3.732 -8.814 1.00 0.00 N ATOM 554 CA ILE B 42 18.127 4.188 -8.326 1.00 0.00 C ATOM 555 C ILE B 42 17.098 4.109 -9.454 1.00 0.00 C ATOM 556 O ILE B 42 17.385 4.496 -10.585 1.00 0.00 O ATOM 557 CB ILE B 42 18.261 5.623 -7.788 1.00 0.00 C ATOM 558 CG1 ILE B 42 18.901 5.642 -6.395 1.00 0.00 C ATOM 559 CG2 ILE B 42 16.894 6.301 -7.689 1.00 0.00 C ATOM 560 CD1 ILE B 42 20.360 5.192 -6.445 1.00 0.00 C ATOM 0 H ILE B 42 20.181 4.391 -8.646 1.00 0.00 H new ATOM 0 HA ILE B 42 17.786 3.549 -7.512 1.00 0.00 H new ATOM 0 HB ILE B 42 18.897 6.161 -8.491 1.00 0.00 H new ATOM 0 HG12 ILE B 42 18.843 6.648 -5.980 1.00 0.00 H new ATOM 0 HG13 ILE B 42 18.340 4.989 -5.726 1.00 0.00 H new ATOM 0 HG21 ILE B 42 17.017 7.314 -7.306 1.00 0.00 H new ATOM 0 HG22 ILE B 42 16.435 6.340 -8.677 1.00 0.00 H new ATOM 0 HG23 ILE B 42 16.254 5.733 -7.013 1.00 0.00 H new ATOM 0 HD11 ILE B 42 20.783 5.217 -5.441 1.00 0.00 H new ATOM 0 HD12 ILE B 42 20.414 4.176 -6.836 1.00 0.00 H new ATOM 0 HD13 ILE B 42 20.925 5.861 -7.094 1.00 0.00 H new ATOM 572 N ARG B 43 15.899 3.605 -9.143 1.00 0.00 N ATOM 573 CA ARG B 43 14.862 3.387 -10.145 1.00 0.00 C ATOM 574 C ARG B 43 13.915 4.579 -10.245 1.00 0.00 C ATOM 575 O ARG B 43 13.450 4.893 -11.340 1.00 0.00 O ATOM 576 CB ARG B 43 14.078 2.116 -9.798 1.00 0.00 C ATOM 577 CG ARG B 43 14.971 0.872 -9.832 1.00 0.00 C ATOM 578 CD ARG B 43 15.574 0.676 -11.224 1.00 0.00 C ATOM 579 NE ARG B 43 16.272 -0.612 -11.315 1.00 0.00 N ATOM 580 CZ ARG B 43 15.791 -1.689 -11.943 1.00 0.00 C ATOM 581 NH1 ARG B 43 14.602 -1.658 -12.545 1.00 0.00 N ATOM 582 NH2 ARG B 43 16.509 -2.804 -11.964 1.00 0.00 N ATOM 0 H ARG B 43 15.626 3.340 -8.197 1.00 0.00 H new ATOM 0 HA ARG B 43 15.344 3.271 -11.116 1.00 0.00 H new ATOM 0 HB2 ARG B 43 13.637 2.220 -8.807 1.00 0.00 H new ATOM 0 HB3 ARG B 43 13.255 1.993 -10.502 1.00 0.00 H new ATOM 0 HG2 ARG B 43 15.769 0.971 -9.096 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.389 -0.007 -9.556 1.00 0.00 H new ATOM 0 HD2 ARG B 43 14.786 0.721 -11.976 1.00 0.00 H new ATOM 0 HD3 ARG B 43 16.269 1.487 -11.441 1.00 0.00 H new ATOM 0 HE ARG B 43 17.186 -0.690 -10.869 1.00 0.00 H new ATOM 0 HH11 ARG B 43 14.045 -0.804 -12.531 1.00 0.00 H new ATOM 0 HH12 ARG B 43 14.249 -2.489 -13.020 1.00 0.00 H new ATOM 0 HH21 ARG B 43 17.419 -2.834 -11.504 1.00 0.00 H new ATOM 0 HH22 ARG B 43 16.151 -3.632 -12.440 1.00 0.00 H new ATOM 596 N ASP B 44 13.627 5.245 -9.121 1.00 0.00 N ATOM 597 CA ASP B 44 12.696 6.368 -9.106 1.00 0.00 C ATOM 598 C ASP B 44 13.005 7.442 -8.066 1.00 0.00 C ATOM 599 O ASP B 44 13.559 7.151 -7.005 1.00 0.00 O ATOM 600 CB ASP B 44 11.253 5.872 -8.961 1.00 0.00 C ATOM 601 CG ASP B 44 10.675 5.353 -10.277 1.00 0.00 C ATOM 602 OD1 ASP B 44 10.055 4.266 -10.239 1.00 0.00 O ATOM 603 OD2 ASP B 44 10.855 6.049 -11.303 1.00 0.00 O ATOM 0 H ASP B 44 14.029 5.021 -8.210 1.00 0.00 H new ATOM 0 HA ASP B 44 12.823 6.859 -10.071 1.00 0.00 H new ATOM 0 HB2 ASP B 44 11.219 5.078 -8.215 1.00 0.00 H new ATOM 0 HB3 ASP B 44 10.629 6.685 -8.590 1.00 0.00 H new ATOM 608 N ILE B 45 12.628 8.684 -8.386 1.00 0.00 N ATOM 609 CA ILE B 45 12.725 9.828 -7.491 1.00 0.00 C ATOM 610 C ILE B 45 11.310 10.317 -7.183 1.00 0.00 C ATOM 611 O ILE B 45 10.400 10.146 -7.996 1.00 0.00 O ATOM 612 CB ILE B 45 13.575 10.933 -8.152 1.00 0.00 C ATOM 613 CG1 ILE B 45 14.999 10.937 -7.586 1.00 0.00 C ATOM 614 CG2 ILE B 45 12.981 12.327 -7.923 1.00 0.00 C ATOM 615 CD1 ILE B 45 15.729 9.629 -7.880 1.00 0.00 C ATOM 0 H ILE B 45 12.238 8.921 -9.298 1.00 0.00 H new ATOM 0 HA ILE B 45 13.215 9.550 -6.558 1.00 0.00 H new ATOM 0 HB ILE B 45 13.585 10.712 -9.219 1.00 0.00 H new ATOM 0 HG12 ILE B 45 15.558 11.769 -8.014 1.00 0.00 H new ATOM 0 HG13 ILE B 45 14.962 11.098 -6.509 1.00 0.00 H new ATOM 0 HG21 ILE B 45 13.611 13.075 -8.405 1.00 0.00 H new ATOM 0 HG22 ILE B 45 11.978 12.369 -8.347 1.00 0.00 H new ATOM 0 HG23 ILE B 45 12.931 12.530 -6.853 1.00 0.00 H new ATOM 0 HD11 ILE B 45 16.735 9.672 -7.462 1.00 0.00 H new ATOM 0 HD12 ILE B 45 15.184 8.799 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE B 45 15.790 9.481 -8.958 1.00 0.00 H new ATOM 627 N ASP B 46 11.119 10.922 -6.011 1.00 0.00 N ATOM 628 CA ASP B 46 9.823 11.438 -5.617 1.00 0.00 C ATOM 629 C ASP B 46 9.993 12.676 -4.732 1.00 0.00 C ATOM 630 O ASP B 46 9.811 12.619 -3.517 1.00 0.00 O ATOM 631 CB ASP B 46 9.054 10.320 -4.920 1.00 0.00 C ATOM 632 CG ASP B 46 7.651 10.746 -4.498 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.991 9.919 -3.829 1.00 0.00 O ATOM 634 OD2 ASP B 46 7.248 11.878 -4.841 1.00 0.00 O ATOM 0 H ASP B 46 11.855 11.064 -5.319 1.00 0.00 H new ATOM 0 HA ASP B 46 9.251 11.758 -6.488 1.00 0.00 H new ATOM 0 HB2 ASP B 46 8.983 9.462 -5.588 1.00 0.00 H new ATOM 0 HB3 ASP B 46 9.611 9.995 -4.041 1.00 0.00 H new ATOM 639 N LEU B 47 10.347 13.798 -5.364 1.00 0.00 N ATOM 640 CA LEU B 47 10.482 15.084 -4.692 1.00 0.00 C ATOM 641 C LEU B 47 9.106 15.629 -4.293 1.00 0.00 C ATOM 642 O LEU B 47 8.121 15.417 -5.001 1.00 0.00 O ATOM 643 CB LEU B 47 11.214 16.046 -5.638 1.00 0.00 C ATOM 644 CG LEU B 47 11.283 17.480 -5.095 1.00 0.00 C ATOM 645 CD1 LEU B 47 12.138 17.539 -3.832 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.918 18.376 -6.156 1.00 0.00 C ATOM 0 H LEU B 47 10.548 13.835 -6.363 1.00 0.00 H new ATOM 0 HA LEU B 47 11.059 14.972 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU B 47 12.226 15.679 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU B 47 10.709 16.052 -6.604 1.00 0.00 H new ATOM 0 HG LEU B 47 10.274 17.815 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU B 47 12.173 18.564 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU B 47 11.704 16.894 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU B 47 13.149 17.201 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU B 47 11.973 19.399 -5.783 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.922 18.017 -6.382 1.00 0.00 H new ATOM 0 HD23 LEU B 47 11.312 18.352 -7.062 1.00 0.00 H new ATOM 658 N LYS B 48 9.043 16.332 -3.158 1.00 0.00 N ATOM 659 CA LYS B 48 7.823 16.976 -2.683 1.00 0.00 C ATOM 660 C LYS B 48 8.185 18.271 -1.954 1.00 0.00 C ATOM 661 O LYS B 48 9.178 18.321 -1.231 1.00 0.00 O ATOM 662 CB LYS B 48 7.053 16.001 -1.786 1.00 0.00 C ATOM 663 CG LYS B 48 5.716 16.595 -1.322 1.00 0.00 C ATOM 664 CD LYS B 48 4.969 15.618 -0.409 1.00 0.00 C ATOM 665 CE LYS B 48 4.566 14.327 -1.134 1.00 0.00 C ATOM 666 NZ LYS B 48 3.516 14.578 -2.138 1.00 0.00 N ATOM 0 H LYS B 48 9.844 16.469 -2.542 1.00 0.00 H new ATOM 0 HA LYS B 48 7.175 17.238 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS B 48 6.871 15.073 -2.328 1.00 0.00 H new ATOM 0 HB3 LYS B 48 7.660 15.748 -0.917 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.894 17.530 -0.791 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.099 16.833 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.599 15.370 0.445 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.076 16.104 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS B 48 5.440 13.893 -1.620 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.210 13.596 -0.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 3.535 13.826 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 2.586 14.588 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 3.685 15.497 -2.595 1.00 0.00 H new ATOM 680 N ASN B 49 7.382 19.322 -2.141 1.00 0.00 N ATOM 681 CA ASN B 49 7.674 20.630 -1.566 1.00 0.00 C ATOM 682 C ASN B 49 6.397 21.391 -1.206 1.00 0.00 C ATOM 683 O ASN B 49 6.439 22.599 -0.974 1.00 0.00 O ATOM 684 CB ASN B 49 8.542 21.436 -2.542 1.00 0.00 C ATOM 685 CG ASN B 49 7.897 21.585 -3.914 1.00 0.00 C ATOM 686 OD1 ASN B 49 6.713 21.306 -4.092 1.00 0.00 O ATOM 687 ND2 ASN B 49 8.677 22.023 -4.896 1.00 0.00 N ATOM 0 H ASN B 49 6.522 19.288 -2.689 1.00 0.00 H new ATOM 0 HA ASN B 49 8.223 20.483 -0.636 1.00 0.00 H new ATOM 0 HB2 ASN B 49 8.730 22.425 -2.124 1.00 0.00 H new ATOM 0 HB3 ASN B 49 9.510 20.947 -2.651 1.00 0.00 H new ATOM 0 HD21 ASN B 49 8.298 22.138 -5.836 1.00 0.00 H new ATOM 0 HD22 ASN B 49 9.655 22.245 -4.710 1.00 0.00 H new ATOM 694 N ARG B 50 5.266 20.684 -1.160 1.00 0.00 N ATOM 695 CA ARG B 50 3.974 21.288 -0.864 1.00 0.00 C ATOM 696 C ARG B 50 3.044 20.237 -0.279 1.00 0.00 C ATOM 697 O ARG B 50 3.334 19.044 -0.370 1.00 0.00 O ATOM 698 CB ARG B 50 3.396 21.887 -2.153 1.00 0.00 C ATOM 699 CG ARG B 50 3.193 20.810 -3.222 1.00 0.00 C ATOM 700 CD ARG B 50 2.784 21.469 -4.541 1.00 0.00 C ATOM 701 NE ARG B 50 2.567 20.469 -5.591 1.00 0.00 N ATOM 702 CZ ARG B 50 3.554 19.911 -6.304 1.00 0.00 C ATOM 703 NH1 ARG B 50 4.824 20.229 -6.075 1.00 0.00 N ATOM 704 NH2 ARG B 50 3.262 19.024 -7.253 1.00 0.00 N ATOM 0 H ARG B 50 5.224 19.679 -1.327 1.00 0.00 H new ATOM 0 HA ARG B 50 4.087 22.086 -0.130 1.00 0.00 H new ATOM 0 HB2 ARG B 50 2.444 22.372 -1.937 1.00 0.00 H new ATOM 0 HB3 ARG B 50 4.068 22.657 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG B 50 4.112 20.240 -3.358 1.00 0.00 H new ATOM 0 HG3 ARG B 50 2.425 20.105 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG B 50 1.872 22.048 -4.393 1.00 0.00 H new ATOM 0 HD3 ARG B 50 3.558 22.168 -4.856 1.00 0.00 H new ATOM 0 HE ARG B 50 1.609 20.182 -5.790 1.00 0.00 H new ATOM 0 HH11 ARG B 50 5.057 20.906 -5.348 1.00 0.00 H new ATOM 0 HH12 ARG B 50 5.565 19.796 -6.626 1.00 0.00 H new ATOM 0 HH21 ARG B 50 2.290 18.772 -7.434 1.00 0.00 H new ATOM 0 HH22 ARG B 50 4.010 18.596 -7.799 1.00 0.00 H new ATOM 718 N ARG B 51 1.931 20.687 0.316 1.00 0.00 N ATOM 719 CA ARG B 51 0.942 19.848 1.003 1.00 0.00 C ATOM 720 C ARG B 51 1.516 19.150 2.245 1.00 0.00 C ATOM 721 O ARG B 51 0.773 18.876 3.185 1.00 0.00 O ATOM 722 CB ARG B 51 0.323 18.862 -0.004 1.00 0.00 C ATOM 723 CG ARG B 51 -0.675 17.908 0.648 1.00 0.00 C ATOM 724 CD ARG B 51 -1.863 18.660 1.248 1.00 0.00 C ATOM 725 NE ARG B 51 -2.889 17.722 1.715 1.00 0.00 N ATOM 726 CZ ARG B 51 -4.201 17.959 1.668 1.00 0.00 C ATOM 727 NH1 ARG B 51 -4.664 19.121 1.211 1.00 0.00 N ATOM 728 NH2 ARG B 51 -5.059 17.031 2.082 1.00 0.00 N ATOM 0 H ARG B 51 1.687 21.677 0.332 1.00 0.00 H new ATOM 0 HA ARG B 51 0.150 20.490 1.388 1.00 0.00 H new ATOM 0 HB2 ARG B 51 -0.178 19.422 -0.794 1.00 0.00 H new ATOM 0 HB3 ARG B 51 1.117 18.284 -0.477 1.00 0.00 H new ATOM 0 HG2 ARG B 51 -1.033 17.193 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG B 51 -0.175 17.335 1.429 1.00 0.00 H new ATOM 0 HD2 ARG B 51 -1.525 19.280 2.078 1.00 0.00 H new ATOM 0 HD3 ARG B 51 -2.289 19.331 0.502 1.00 0.00 H new ATOM 0 HE ARG B 51 -2.579 16.830 2.101 1.00 0.00 H new ATOM 0 HH11 ARG B 51 -4.014 19.839 0.893 1.00 0.00 H new ATOM 0 HH12 ARG B 51 -5.669 19.292 1.179 1.00 0.00 H new ATOM 0 HH21 ARG B 51 -4.714 16.139 2.435 1.00 0.00 H new ATOM 0 HH22 ARG B 51 -6.062 17.212 2.046 1.00 0.00 H new ATOM 742 N GLY B 52 2.823 18.863 2.259 1.00 0.00 N ATOM 743 CA GLY B 52 3.504 18.290 3.410 1.00 0.00 C ATOM 744 C GLY B 52 4.301 19.366 4.144 1.00 0.00 C ATOM 745 O GLY B 52 3.980 20.551 4.060 1.00 0.00 O ATOM 0 H GLY B 52 3.437 19.026 1.461 1.00 0.00 H new ATOM 0 HA2 GLY B 52 2.776 17.842 4.086 1.00 0.00 H new ATOM 0 HA3 GLY B 52 4.171 17.491 3.086 1.00 0.00 H new ATOM 749 N GLY B 53 5.346 18.946 4.865 1.00 0.00 N ATOM 750 CA GLY B 53 6.249 19.852 5.560 1.00 0.00 C ATOM 751 C GLY B 53 7.196 20.553 4.577 1.00 0.00 C ATOM 752 O GLY B 53 6.885 20.669 3.390 1.00 0.00 O ATOM 0 H GLY B 53 5.585 17.961 4.980 1.00 0.00 H new ATOM 0 HA2 GLY B 53 5.671 20.597 6.107 1.00 0.00 H new ATOM 0 HA3 GLY B 53 6.830 19.297 6.296 1.00 0.00 H new ATOM 756 N PRO B 54 8.355 21.026 5.061 1.00 0.00 N ATOM 757 CA PRO B 54 9.358 21.692 4.243 1.00 0.00 C ATOM 758 C PRO B 54 9.911 20.725 3.194 1.00 0.00 C ATOM 759 O PRO B 54 9.711 19.516 3.311 1.00 0.00 O ATOM 760 CB PRO B 54 10.448 22.155 5.217 1.00 0.00 C ATOM 761 CG PRO B 54 10.270 21.256 6.440 1.00 0.00 C ATOM 762 CD PRO B 54 8.780 20.926 6.443 1.00 0.00 C ATOM 0 HA PRO B 54 8.946 22.538 3.693 1.00 0.00 H new ATOM 0 HB2 PRO B 54 11.442 22.044 4.783 1.00 0.00 H new ATOM 0 HB3 PRO B 54 10.329 23.207 5.476 1.00 0.00 H new ATOM 0 HG2 PRO B 54 10.878 20.355 6.364 1.00 0.00 H new ATOM 0 HG3 PRO B 54 10.568 21.765 7.356 1.00 0.00 H new ATOM 0 HD2 PRO B 54 8.601 19.925 6.837 1.00 0.00 H new ATOM 0 HD3 PRO B 54 8.226 21.621 7.075 1.00 0.00 H new ATOM 770 N PRO B 55 10.607 21.241 2.168 1.00 0.00 N ATOM 771 CA PRO B 55 11.076 20.456 1.041 1.00 0.00 C ATOM 772 C PRO B 55 11.828 19.202 1.485 1.00 0.00 C ATOM 773 O PRO B 55 12.715 19.266 2.340 1.00 0.00 O ATOM 774 CB PRO B 55 11.975 21.393 0.233 1.00 0.00 C ATOM 775 CG PRO B 55 11.453 22.789 0.580 1.00 0.00 C ATOM 776 CD PRO B 55 10.954 22.641 2.015 1.00 0.00 C ATOM 0 HA PRO B 55 10.240 20.088 0.446 1.00 0.00 H new ATOM 0 HB2 PRO B 55 13.023 21.278 0.509 1.00 0.00 H new ATOM 0 HB3 PRO B 55 11.903 21.193 -0.836 1.00 0.00 H new ATOM 0 HG2 PRO B 55 12.239 23.541 0.505 1.00 0.00 H new ATOM 0 HG3 PRO B 55 10.652 23.096 -0.093 1.00 0.00 H new ATOM 0 HD2 PRO B 55 11.724 22.934 2.729 1.00 0.00 H new ATOM 0 HD3 PRO B 55 10.090 23.281 2.197 1.00 0.00 H new ATOM 784 N PHE B 56 11.465 18.062 0.898 1.00 0.00 N ATOM 785 CA PHE B 56 12.051 16.771 1.220 1.00 0.00 C ATOM 786 C PHE B 56 11.694 15.842 0.056 1.00 0.00 C ATOM 787 O PHE B 56 10.881 16.195 -0.796 1.00 0.00 O ATOM 788 CB PHE B 56 11.431 16.262 2.526 1.00 0.00 C ATOM 789 CG PHE B 56 10.014 15.742 2.413 1.00 0.00 C ATOM 790 CD1 PHE B 56 8.952 16.614 2.130 1.00 0.00 C ATOM 791 CD2 PHE B 56 9.757 14.379 2.612 1.00 0.00 C ATOM 792 CE1 PHE B 56 7.639 16.131 2.077 1.00 0.00 C ATOM 793 CE2 PHE B 56 8.441 13.902 2.581 1.00 0.00 C ATOM 794 CZ PHE B 56 7.384 14.773 2.310 1.00 0.00 C ATOM 0 H PHE B 56 10.746 18.014 0.176 1.00 0.00 H new ATOM 0 HA PHE B 56 13.131 16.824 1.354 1.00 0.00 H new ATOM 0 HB2 PHE B 56 12.062 15.466 2.922 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.446 17.072 3.255 1.00 0.00 H new ATOM 0 HD1 PHE B 56 9.148 17.661 1.952 1.00 0.00 H new ATOM 0 HD2 PHE B 56 10.575 13.696 2.789 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.824 16.804 1.857 1.00 0.00 H new ATOM 0 HE2 PHE B 56 8.243 12.857 2.767 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.371 14.400 2.280 1.00 0.00 H new ATOM 804 N ALA B 57 12.298 14.657 0.008 1.00 0.00 N ATOM 805 CA ALA B 57 12.097 13.769 -1.123 1.00 0.00 C ATOM 806 C ALA B 57 12.257 12.307 -0.726 1.00 0.00 C ATOM 807 O ALA B 57 12.879 11.986 0.286 1.00 0.00 O ATOM 808 CB ALA B 57 13.095 14.126 -2.222 1.00 0.00 C ATOM 0 H ALA B 57 12.921 14.297 0.731 1.00 0.00 H new ATOM 0 HA ALA B 57 11.078 13.899 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.950 13.463 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.938 15.158 -2.534 1.00 0.00 H new ATOM 0 HB3 ALA B 57 14.110 14.012 -1.842 1.00 0.00 H new ATOM 814 N PHE B 58 11.685 11.425 -1.548 1.00 0.00 N ATOM 815 CA PHE B 58 11.874 9.993 -1.422 1.00 0.00 C ATOM 816 C PHE B 58 12.661 9.461 -2.615 1.00 0.00 C ATOM 817 O PHE B 58 12.589 10.019 -3.708 1.00 0.00 O ATOM 818 CB PHE B 58 10.522 9.290 -1.251 1.00 0.00 C ATOM 819 CG PHE B 58 9.818 9.653 0.033 1.00 0.00 C ATOM 820 CD1 PHE B 58 8.722 10.526 0.007 1.00 0.00 C ATOM 821 CD2 PHE B 58 10.261 9.123 1.252 1.00 0.00 C ATOM 822 CE1 PHE B 58 8.091 10.889 1.200 1.00 0.00 C ATOM 823 CE2 PHE B 58 9.622 9.478 2.444 1.00 0.00 C ATOM 824 CZ PHE B 58 8.542 10.368 2.420 1.00 0.00 C ATOM 0 H PHE B 58 11.076 11.693 -2.321 1.00 0.00 H new ATOM 0 HA PHE B 58 12.459 9.780 -0.528 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.879 9.544 -2.094 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.675 8.211 -1.281 1.00 0.00 H new ATOM 0 HD1 PHE B 58 8.365 10.918 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE B 58 11.097 8.439 1.271 1.00 0.00 H new ATOM 0 HE1 PHE B 58 7.255 11.572 1.182 1.00 0.00 H new ATOM 0 HE2 PHE B 58 9.962 9.066 3.383 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.056 10.653 3.342 1.00 0.00 H new ATOM 834 N VAL B 59 13.413 8.378 -2.408 1.00 0.00 N ATOM 835 CA VAL B 59 14.240 7.786 -3.450 1.00 0.00 C ATOM 836 C VAL B 59 14.069 6.275 -3.411 1.00 0.00 C ATOM 837 O VAL B 59 14.140 5.678 -2.341 1.00 0.00 O ATOM 838 CB VAL B 59 15.704 8.179 -3.230 1.00 0.00 C ATOM 839 CG1 VAL B 59 16.586 7.495 -4.269 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.878 9.693 -3.339 1.00 0.00 C ATOM 0 H VAL B 59 13.463 7.891 -1.513 1.00 0.00 H new ATOM 0 HA VAL B 59 13.935 8.152 -4.430 1.00 0.00 H new ATOM 0 HB VAL B 59 15.998 7.860 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL B 59 17.626 7.779 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL B 59 16.486 6.414 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL B 59 16.277 7.803 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.925 9.951 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL B 59 15.569 10.024 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL B 59 15.264 10.185 -2.585 1.00 0.00 H new ATOM 850 N GLU B 60 13.842 5.657 -4.572 1.00 0.00 N ATOM 851 CA GLU B 60 13.529 4.239 -4.653 1.00 0.00 C ATOM 852 C GLU B 60 14.675 3.458 -5.285 1.00 0.00 C ATOM 853 O GLU B 60 15.006 3.670 -6.452 1.00 0.00 O ATOM 854 CB GLU B 60 12.232 4.059 -5.438 1.00 0.00 C ATOM 855 CG GLU B 60 11.826 2.586 -5.490 1.00 0.00 C ATOM 856 CD GLU B 60 10.370 2.412 -5.930 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.646 3.432 -5.980 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.997 1.250 -6.213 1.00 0.00 O ATOM 0 H GLU B 60 13.871 6.128 -5.476 1.00 0.00 H new ATOM 0 HA GLU B 60 13.393 3.842 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.437 4.643 -4.974 1.00 0.00 H new ATOM 0 HB3 GLU B 60 12.359 4.441 -6.451 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.480 2.053 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU B 60 11.965 2.136 -4.507 1.00 0.00 H new ATOM 865 N PHE B 61 15.274 2.555 -4.502 1.00 0.00 N ATOM 866 CA PHE B 61 16.387 1.727 -4.939 1.00 0.00 C ATOM 867 C PHE B 61 15.955 0.376 -5.506 1.00 0.00 C ATOM 868 O PHE B 61 14.887 -0.127 -5.162 1.00 0.00 O ATOM 869 CB PHE B 61 17.396 1.548 -3.802 1.00 0.00 C ATOM 870 CG PHE B 61 18.241 2.767 -3.515 1.00 0.00 C ATOM 871 CD1 PHE B 61 17.670 3.904 -2.921 1.00 0.00 C ATOM 872 CD2 PHE B 61 19.607 2.761 -3.842 1.00 0.00 C ATOM 873 CE1 PHE B 61 18.462 5.028 -2.656 1.00 0.00 C ATOM 874 CE2 PHE B 61 20.399 3.887 -3.572 1.00 0.00 C ATOM 875 CZ PHE B 61 19.826 5.018 -2.973 1.00 0.00 C ATOM 0 H PHE B 61 14.992 2.382 -3.537 1.00 0.00 H new ATOM 0 HA PHE B 61 16.864 2.257 -5.763 1.00 0.00 H new ATOM 0 HB2 PHE B 61 16.857 1.274 -2.895 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.055 0.714 -4.046 1.00 0.00 H new ATOM 0 HD1 PHE B 61 16.620 3.912 -2.669 1.00 0.00 H new ATOM 0 HD2 PHE B 61 20.048 1.889 -4.302 1.00 0.00 H new ATOM 0 HE1 PHE B 61 18.020 5.905 -2.206 1.00 0.00 H new ATOM 0 HE2 PHE B 61 21.449 3.883 -3.825 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.437 5.882 -2.756 1.00 0.00 H new ATOM 885 N GLU B 62 16.778 -0.217 -6.373 1.00 0.00 N ATOM 886 CA GLU B 62 16.532 -1.584 -6.823 1.00 0.00 C ATOM 887 C GLU B 62 17.041 -2.562 -5.757 1.00 0.00 C ATOM 888 O GLU B 62 16.500 -3.657 -5.616 1.00 0.00 O ATOM 889 CB GLU B 62 17.213 -1.824 -8.172 1.00 0.00 C ATOM 890 CG GLU B 62 18.734 -1.929 -8.038 1.00 0.00 C ATOM 891 CD GLU B 62 19.399 -2.219 -9.386 1.00 0.00 C ATOM 892 OE1 GLU B 62 18.674 -2.234 -10.406 1.00 0.00 O ATOM 893 OE2 GLU B 62 20.634 -2.421 -9.378 1.00 0.00 O ATOM 0 H GLU B 62 17.608 0.222 -6.771 1.00 0.00 H new ATOM 0 HA GLU B 62 15.463 -1.744 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.824 -2.741 -8.616 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.965 -1.010 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.129 -0.999 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.984 -2.720 -7.331 1.00 0.00 H new ATOM 900 N ASP B 63 18.078 -2.149 -5.023 1.00 0.00 N ATOM 901 CA ASP B 63 18.700 -2.906 -3.945 1.00 0.00 C ATOM 902 C ASP B 63 19.500 -1.998 -3.008 1.00 0.00 C ATOM 903 O ASP B 63 20.007 -0.963 -3.440 1.00 0.00 O ATOM 904 CB ASP B 63 19.586 -4.026 -4.505 1.00 0.00 C ATOM 905 CG ASP B 63 18.792 -5.268 -4.908 1.00 0.00 C ATOM 906 OD1 ASP B 63 19.112 -5.830 -5.981 1.00 0.00 O ATOM 907 OD2 ASP B 63 17.877 -5.645 -4.143 1.00 0.00 O ATOM 0 H ASP B 63 18.521 -1.242 -5.173 1.00 0.00 H new ATOM 0 HA ASP B 63 17.901 -3.360 -3.360 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.131 -3.652 -5.372 1.00 0.00 H new ATOM 0 HB3 ASP B 63 20.329 -4.303 -3.757 1.00 0.00 H new ATOM 912 N PRO B 64 19.624 -2.373 -1.728 1.00 0.00 N ATOM 913 CA PRO B 64 20.298 -1.574 -0.717 1.00 0.00 C ATOM 914 C PRO B 64 21.816 -1.545 -0.910 1.00 0.00 C ATOM 915 O PRO B 64 22.515 -0.861 -0.160 1.00 0.00 O ATOM 916 CB PRO B 64 19.929 -2.232 0.613 1.00 0.00 C ATOM 917 CG PRO B 64 19.663 -3.691 0.243 1.00 0.00 C ATOM 918 CD PRO B 64 19.092 -3.602 -1.169 1.00 0.00 C ATOM 0 HA PRO B 64 19.986 -0.531 -0.770 1.00 0.00 H new ATOM 0 HB2 PRO B 64 20.737 -2.145 1.339 1.00 0.00 H new ATOM 0 HB3 PRO B 64 19.050 -1.766 1.058 1.00 0.00 H new ATOM 0 HG2 PRO B 64 20.577 -4.285 0.270 1.00 0.00 H new ATOM 0 HG3 PRO B 64 18.959 -4.158 0.932 1.00 0.00 H new ATOM 0 HD2 PRO B 64 19.387 -4.465 -1.766 1.00 0.00 H new ATOM 0 HD3 PRO B 64 18.002 -3.585 -1.151 1.00 0.00 H new ATOM 926 N ARG B 65 22.339 -2.275 -1.901 1.00 0.00 N ATOM 927 CA ARG B 65 23.780 -2.378 -2.120 1.00 0.00 C ATOM 928 C ARG B 65 24.408 -1.031 -2.479 1.00 0.00 C ATOM 929 O ARG B 65 25.599 -0.830 -2.243 1.00 0.00 O ATOM 930 CB ARG B 65 24.062 -3.399 -3.228 1.00 0.00 C ATOM 931 CG ARG B 65 23.256 -3.077 -4.488 1.00 0.00 C ATOM 932 CD ARG B 65 23.933 -3.678 -5.720 1.00 0.00 C ATOM 933 NE ARG B 65 25.149 -2.930 -6.058 1.00 0.00 N ATOM 934 CZ ARG B 65 26.318 -3.492 -6.382 1.00 0.00 C ATOM 935 NH1 ARG B 65 26.452 -4.815 -6.424 1.00 0.00 N ATOM 936 NH2 ARG B 65 27.361 -2.720 -6.669 1.00 0.00 N ATOM 0 H ARG B 65 21.778 -2.806 -2.567 1.00 0.00 H new ATOM 0 HA ARG B 65 24.233 -2.708 -1.185 1.00 0.00 H new ATOM 0 HB2 ARG B 65 25.126 -3.401 -3.463 1.00 0.00 H new ATOM 0 HB3 ARG B 65 23.811 -4.400 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG B 65 22.245 -3.472 -4.392 1.00 0.00 H new ATOM 0 HG3 ARG B 65 23.167 -1.997 -4.604 1.00 0.00 H new ATOM 0 HD2 ARG B 65 24.183 -4.722 -5.531 1.00 0.00 H new ATOM 0 HD3 ARG B 65 23.244 -3.663 -6.564 1.00 0.00 H new ATOM 0 HE ARG B 65 25.099 -1.911 -6.045 1.00 0.00 H new ATOM 0 HH11 ARG B 65 25.656 -5.415 -6.207 1.00 0.00 H new ATOM 0 HH12 ARG B 65 27.350 -5.229 -6.673 1.00 0.00 H new ATOM 0 HH21 ARG B 65 27.267 -1.705 -6.641 1.00 0.00 H new ATOM 0 HH22 ARG B 65 28.256 -3.143 -6.917 1.00 0.00 H new ATOM 950 N ASP B 66 23.624 -0.111 -3.048 1.00 0.00 N ATOM 951 CA ASP B 66 24.143 1.178 -3.485 1.00 0.00 C ATOM 952 C ASP B 66 24.085 2.251 -2.396 1.00 0.00 C ATOM 953 O ASP B 66 24.573 3.362 -2.589 1.00 0.00 O ATOM 954 CB ASP B 66 23.430 1.623 -4.764 1.00 0.00 C ATOM 955 CG ASP B 66 23.809 0.755 -5.965 1.00 0.00 C ATOM 956 OD1 ASP B 66 24.708 -0.104 -5.812 1.00 0.00 O ATOM 957 OD2 ASP B 66 23.188 0.961 -7.029 1.00 0.00 O ATOM 0 H ASP B 66 22.626 -0.240 -3.215 1.00 0.00 H new ATOM 0 HA ASP B 66 25.203 1.046 -3.702 1.00 0.00 H new ATOM 0 HB2 ASP B 66 22.352 1.579 -4.611 1.00 0.00 H new ATOM 0 HB3 ASP B 66 23.680 2.663 -4.975 1.00 0.00 H new ATOM 962 N ALA B 67 23.485 1.921 -1.246 1.00 0.00 N ATOM 963 CA ALA B 67 23.377 2.855 -0.136 1.00 0.00 C ATOM 964 C ALA B 67 24.749 3.118 0.489 1.00 0.00 C ATOM 965 O ALA B 67 24.909 4.067 1.255 1.00 0.00 O ATOM 966 CB ALA B 67 22.409 2.287 0.901 1.00 0.00 C ATOM 0 H ALA B 67 23.067 1.008 -1.067 1.00 0.00 H new ATOM 0 HA ALA B 67 22.995 3.808 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA B 67 22.322 2.981 1.737 1.00 0.00 H new ATOM 0 HB2 ALA B 67 21.429 2.144 0.445 1.00 0.00 H new ATOM 0 HB3 ALA B 67 22.784 1.329 1.262 1.00 0.00 H new ATOM 972 N GLU B 68 25.743 2.285 0.162 1.00 0.00 N ATOM 973 CA GLU B 68 27.078 2.426 0.721 1.00 0.00 C ATOM 974 C GLU B 68 27.738 3.724 0.254 1.00 0.00 C ATOM 975 O GLU B 68 28.711 4.171 0.857 1.00 0.00 O ATOM 976 CB GLU B 68 27.930 1.219 0.314 1.00 0.00 C ATOM 977 CG GLU B 68 27.319 -0.076 0.856 1.00 0.00 C ATOM 978 CD GLU B 68 28.204 -1.286 0.559 1.00 0.00 C ATOM 979 OE1 GLU B 68 27.845 -2.390 1.036 1.00 0.00 O ATOM 980 OE2 GLU B 68 29.228 -1.106 -0.137 1.00 0.00 O ATOM 0 H GLU B 68 25.641 1.507 -0.489 1.00 0.00 H new ATOM 0 HA GLU B 68 26.999 2.467 1.807 1.00 0.00 H new ATOM 0 HB2 GLU B 68 28.002 1.167 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU B 68 28.944 1.337 0.696 1.00 0.00 H new ATOM 0 HG2 GLU B 68 27.174 0.013 1.933 1.00 0.00 H new ATOM 0 HG3 GLU B 68 26.335 -0.227 0.413 1.00 0.00 H new ATOM 987 N ASP B 69 27.206 4.326 -0.816 1.00 0.00 N ATOM 988 CA ASP B 69 27.699 5.595 -1.340 1.00 0.00 C ATOM 989 C ASP B 69 26.601 6.655 -1.409 1.00 0.00 C ATOM 990 O ASP B 69 26.855 7.831 -1.147 1.00 0.00 O ATOM 991 CB ASP B 69 28.322 5.385 -2.725 1.00 0.00 C ATOM 992 CG ASP B 69 29.645 4.620 -2.681 1.00 0.00 C ATOM 993 OD1 ASP B 69 30.222 4.490 -1.581 1.00 0.00 O ATOM 994 OD2 ASP B 69 30.074 4.167 -3.769 1.00 0.00 O ATOM 0 H ASP B 69 26.420 3.942 -1.341 1.00 0.00 H new ATOM 0 HA ASP B 69 28.460 5.961 -0.651 1.00 0.00 H new ATOM 0 HB2 ASP B 69 27.617 4.843 -3.355 1.00 0.00 H new ATOM 0 HB3 ASP B 69 28.486 6.355 -3.193 1.00 0.00 H new ATOM 999 N ALA B 70 25.379 6.240 -1.759 1.00 0.00 N ATOM 1000 CA ALA B 70 24.268 7.156 -1.956 1.00 0.00 C ATOM 1001 C ALA B 70 23.645 7.579 -0.628 1.00 0.00 C ATOM 1002 O ALA B 70 22.817 8.487 -0.597 1.00 0.00 O ATOM 1003 CB ALA B 70 23.224 6.478 -2.840 1.00 0.00 C ATOM 0 H ALA B 70 25.140 5.260 -1.912 1.00 0.00 H new ATOM 0 HA ALA B 70 24.639 8.060 -2.439 1.00 0.00 H new ATOM 0 HB1 ALA B 70 22.384 7.155 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA B 70 23.670 6.226 -3.802 1.00 0.00 H new ATOM 0 HB3 ALA B 70 22.871 5.568 -2.354 1.00 0.00 H new ATOM 1009 N VAL B 71 24.039 6.925 0.471 1.00 0.00 N ATOM 1010 CA VAL B 71 23.494 7.216 1.788 1.00 0.00 C ATOM 1011 C VAL B 71 24.610 7.376 2.809 1.00 0.00 C ATOM 1012 O VAL B 71 24.674 8.393 3.497 1.00 0.00 O ATOM 1013 CB VAL B 71 22.513 6.107 2.199 1.00 0.00 C ATOM 1014 CG1 VAL B 71 21.927 6.400 3.579 1.00 0.00 C ATOM 1015 CG2 VAL B 71 21.376 5.990 1.188 1.00 0.00 C ATOM 0 H VAL B 71 24.741 6.185 0.466 1.00 0.00 H new ATOM 0 HA VAL B 71 22.951 8.160 1.749 1.00 0.00 H new ATOM 0 HB VAL B 71 23.064 5.167 2.229 1.00 0.00 H new ATOM 0 HG11 VAL B 71 21.234 5.606 3.856 1.00 0.00 H new ATOM 0 HG12 VAL B 71 22.732 6.452 4.312 1.00 0.00 H new ATOM 0 HG13 VAL B 71 21.397 7.352 3.554 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.693 5.199 1.498 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.836 6.936 1.136 1.00 0.00 H new ATOM 0 HG23 VAL B 71 21.785 5.752 0.206 1.00 0.00 H new ATOM 1025 N SER B 72 25.496 6.384 2.910 1.00 0.00 N ATOM 1026 CA SER B 72 26.603 6.425 3.856 1.00 0.00 C ATOM 1027 C SER B 72 27.653 7.457 3.440 1.00 0.00 C ATOM 1028 O SER B 72 28.597 7.710 4.188 1.00 0.00 O ATOM 1029 CB SER B 72 27.236 5.038 3.956 1.00 0.00 C ATOM 1030 OG SER B 72 26.291 4.110 4.460 1.00 0.00 O ATOM 0 H SER B 72 25.464 5.538 2.342 1.00 0.00 H new ATOM 0 HA SER B 72 26.215 6.723 4.830 1.00 0.00 H new ATOM 0 HB2 SER B 72 27.586 4.717 2.975 1.00 0.00 H new ATOM 0 HB3 SER B 72 28.108 5.073 4.609 1.00 0.00 H new ATOM 0 HG SER B 72 26.703 3.223 4.520 1.00 0.00 H new ATOM 1036 N GLY B 73 27.491 8.049 2.256 1.00 0.00 N ATOM 1037 CA GLY B 73 28.419 9.042 1.736 1.00 0.00 C ATOM 1038 C GLY B 73 27.753 10.411 1.573 1.00 0.00 C ATOM 1039 O GLY B 73 28.344 11.305 0.969 1.00 0.00 O ATOM 0 H GLY B 73 26.709 7.850 1.632 1.00 0.00 H new ATOM 0 HA2 GLY B 73 29.272 9.130 2.409 1.00 0.00 H new ATOM 0 HA3 GLY B 73 28.806 8.709 0.773 1.00 0.00 H new ATOM 1043 N ARG B 74 26.535 10.584 2.105 1.00 0.00 N ATOM 1044 CA ARG B 74 25.786 11.826 1.929 1.00 0.00 C ATOM 1045 C ARG B 74 24.956 12.175 3.167 1.00 0.00 C ATOM 1046 O ARG B 74 24.578 13.333 3.345 1.00 0.00 O ATOM 1047 CB ARG B 74 24.900 11.684 0.684 1.00 0.00 C ATOM 1048 CG ARG B 74 24.112 12.972 0.413 1.00 0.00 C ATOM 1049 CD ARG B 74 23.373 12.860 -0.919 1.00 0.00 C ATOM 1050 NE ARG B 74 24.317 12.783 -2.041 1.00 0.00 N ATOM 1051 CZ ARG B 74 24.371 11.775 -2.914 1.00 0.00 C ATOM 1052 NH1 ARG B 74 23.531 10.745 -2.834 1.00 0.00 N ATOM 1053 NH2 ARG B 74 25.277 11.796 -3.888 1.00 0.00 N ATOM 0 H ARG B 74 26.052 9.877 2.660 1.00 0.00 H new ATOM 0 HA ARG B 74 26.486 12.650 1.793 1.00 0.00 H new ATOM 0 HB2 ARG B 74 25.519 11.445 -0.181 1.00 0.00 H new ATOM 0 HB3 ARG B 74 24.208 10.853 0.820 1.00 0.00 H new ATOM 0 HG2 ARG B 74 23.401 13.150 1.219 1.00 0.00 H new ATOM 0 HG3 ARG B 74 24.790 13.825 0.392 1.00 0.00 H new ATOM 0 HD2 ARG B 74 22.737 11.974 -0.913 1.00 0.00 H new ATOM 0 HD3 ARG B 74 22.718 13.722 -1.049 1.00 0.00 H new ATOM 0 HE ARG B 74 24.976 13.552 -2.161 1.00 0.00 H new ATOM 0 HH11 ARG B 74 22.829 10.716 -2.095 1.00 0.00 H new ATOM 0 HH12 ARG B 74 23.590 9.985 -3.512 1.00 0.00 H new ATOM 0 HH21 ARG B 74 25.925 12.580 -3.965 1.00 0.00 H new ATOM 0 HH22 ARG B 74 25.323 11.028 -4.558 1.00 0.00 H new ATOM 1067 N ASP B 75 24.670 11.195 4.022 1.00 0.00 N ATOM 1068 CA ASP B 75 23.917 11.448 5.242 1.00 0.00 C ATOM 1069 C ASP B 75 24.764 12.278 6.204 1.00 0.00 C ATOM 1070 O ASP B 75 25.953 12.006 6.377 1.00 0.00 O ATOM 1071 CB ASP B 75 23.528 10.117 5.889 1.00 0.00 C ATOM 1072 CG ASP B 75 22.635 10.326 7.110 1.00 0.00 C ATOM 1073 OD1 ASP B 75 21.953 11.375 7.156 1.00 0.00 O ATOM 1074 OD2 ASP B 75 22.642 9.431 7.986 1.00 0.00 O ATOM 0 H ASP B 75 24.949 10.223 3.890 1.00 0.00 H new ATOM 0 HA ASP B 75 23.010 12.003 5.004 1.00 0.00 H new ATOM 0 HB2 ASP B 75 23.009 9.495 5.160 1.00 0.00 H new ATOM 0 HB3 ASP B 75 24.428 9.578 6.184 1.00 0.00 H new ATOM 1079 N GLY B 76 24.157 13.292 6.827 1.00 0.00 N ATOM 1080 CA GLY B 76 24.835 14.117 7.817 1.00 0.00 C ATOM 1081 C GLY B 76 25.940 14.968 7.195 1.00 0.00 C ATOM 1082 O GLY B 76 26.909 15.305 7.876 1.00 0.00 O ATOM 0 H GLY B 76 23.187 13.559 6.657 1.00 0.00 H new ATOM 0 HA2 GLY B 76 24.109 14.767 8.305 1.00 0.00 H new ATOM 0 HA3 GLY B 76 25.262 13.478 8.590 1.00 0.00 H new ATOM 1086 N TYR B 77 25.813 15.313 5.909 1.00 0.00 N ATOM 1087 CA TYR B 77 26.874 15.978 5.175 1.00 0.00 C ATOM 1088 C TYR B 77 26.947 17.473 5.450 1.00 0.00 C ATOM 1089 O TYR B 77 25.925 18.140 5.567 1.00 0.00 O ATOM 1090 CB TYR B 77 26.810 15.653 3.682 1.00 0.00 C ATOM 1091 CG TYR B 77 27.677 16.546 2.827 1.00 0.00 C ATOM 1092 CD1 TYR B 77 29.071 16.378 2.835 1.00 0.00 C ATOM 1093 CD2 TYR B 77 27.094 17.539 2.025 1.00 0.00 C ATOM 1094 CE1 TYR B 77 29.884 17.203 2.043 1.00 0.00 C ATOM 1095 CE2 TYR B 77 27.900 18.364 1.232 1.00 0.00 C ATOM 1096 CZ TYR B 77 29.299 18.200 1.237 1.00 0.00 C ATOM 1097 OH TYR B 77 30.082 19.006 0.465 1.00 0.00 O ATOM 0 H TYR B 77 24.973 15.137 5.358 1.00 0.00 H new ATOM 0 HA TYR B 77 27.814 15.574 5.551 1.00 0.00 H new ATOM 0 HB2 TYR B 77 27.112 14.617 3.532 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.776 15.735 3.346 1.00 0.00 H new ATOM 0 HD1 TYR B 77 29.518 15.613 3.452 1.00 0.00 H new ATOM 0 HD2 TYR B 77 26.022 17.667 2.020 1.00 0.00 H new ATOM 0 HE1 TYR B 77 30.956 17.074 2.051 1.00 0.00 H new ATOM 0 HE2 TYR B 77 27.449 19.127 0.615 1.00 0.00 H new ATOM 0 HH TYR B 77 29.517 19.637 -0.028 1.00 0.00 H new ATOM 1107 N ASP B 78 28.171 17.989 5.550 1.00 0.00 N ATOM 1108 CA ASP B 78 28.436 19.376 5.893 1.00 0.00 C ATOM 1109 C ASP B 78 27.813 20.370 4.912 1.00 0.00 C ATOM 1110 O ASP B 78 28.332 20.581 3.816 1.00 0.00 O ATOM 1111 CB ASP B 78 29.950 19.581 6.036 1.00 0.00 C ATOM 1112 CG ASP B 78 30.345 21.054 6.141 1.00 0.00 C ATOM 1113 OD1 ASP B 78 29.488 21.858 6.566 1.00 0.00 O ATOM 1114 OD2 ASP B 78 31.508 21.358 5.796 1.00 0.00 O ATOM 0 H ASP B 78 29.017 17.442 5.391 1.00 0.00 H new ATOM 0 HA ASP B 78 27.953 19.584 6.848 1.00 0.00 H new ATOM 0 HB2 ASP B 78 30.301 19.052 6.922 1.00 0.00 H new ATOM 0 HB3 ASP B 78 30.454 19.135 5.179 1.00 0.00 H new ATOM 1119 N TYR B 79 26.693 20.978 5.319 1.00 0.00 N ATOM 1120 CA TYR B 79 26.014 22.008 4.557 1.00 0.00 C ATOM 1121 C TYR B 79 26.118 23.362 5.263 1.00 0.00 C ATOM 1122 O TYR B 79 26.593 23.446 6.393 1.00 0.00 O ATOM 1123 CB TYR B 79 24.560 21.579 4.330 1.00 0.00 C ATOM 1124 CG TYR B 79 23.690 22.590 3.625 1.00 0.00 C ATOM 1125 CD1 TYR B 79 22.925 23.495 4.373 1.00 0.00 C ATOM 1126 CD2 TYR B 79 23.646 22.620 2.225 1.00 0.00 C ATOM 1127 CE1 TYR B 79 22.103 24.429 3.728 1.00 0.00 C ATOM 1128 CE2 TYR B 79 22.828 23.552 1.570 1.00 0.00 C ATOM 1129 CZ TYR B 79 22.053 24.463 2.320 1.00 0.00 C ATOM 1130 OH TYR B 79 21.259 25.370 1.682 1.00 0.00 O ATOM 0 H TYR B 79 26.233 20.758 6.202 1.00 0.00 H new ATOM 0 HA TYR B 79 26.492 22.130 3.585 1.00 0.00 H new ATOM 0 HB2 TYR B 79 24.558 20.656 3.751 1.00 0.00 H new ATOM 0 HB3 TYR B 79 24.111 21.350 5.297 1.00 0.00 H new ATOM 0 HD1 TYR B 79 22.969 23.473 5.452 1.00 0.00 H new ATOM 0 HD2 TYR B 79 24.242 21.926 1.651 1.00 0.00 H new ATOM 0 HE1 TYR B 79 21.510 25.120 4.308 1.00 0.00 H new ATOM 0 HE2 TYR B 79 22.791 23.573 0.491 1.00 0.00 H new ATOM 0 HH TYR B 79 21.345 25.256 0.713 1.00 0.00 H new ATOM 1140 N ASP B 80 25.675 24.431 4.597 1.00 0.00 N ATOM 1141 CA ASP B 80 25.716 25.768 5.164 1.00 0.00 C ATOM 1142 C ASP B 80 24.852 25.882 6.428 1.00 0.00 C ATOM 1143 O ASP B 80 23.638 26.052 6.341 1.00 0.00 O ATOM 1144 CB ASP B 80 25.318 26.790 4.097 1.00 0.00 C ATOM 1145 CG ASP B 80 25.111 28.192 4.674 1.00 0.00 C ATOM 1146 OD1 ASP B 80 25.658 28.466 5.766 1.00 0.00 O ATOM 1147 OD2 ASP B 80 24.403 28.981 4.009 1.00 0.00 O ATOM 0 H ASP B 80 25.282 24.388 3.657 1.00 0.00 H new ATOM 0 HA ASP B 80 26.737 25.982 5.481 1.00 0.00 H new ATOM 0 HB2 ASP B 80 26.091 26.828 3.329 1.00 0.00 H new ATOM 0 HB3 ASP B 80 24.400 26.462 3.610 1.00 0.00 H new ATOM 1152 N GLY B 81 25.487 25.784 7.600 1.00 0.00 N ATOM 1153 CA GLY B 81 24.813 25.928 8.884 1.00 0.00 C ATOM 1154 C GLY B 81 24.046 24.670 9.298 1.00 0.00 C ATOM 1155 O GLY B 81 23.520 24.617 10.409 1.00 0.00 O ATOM 0 H GLY B 81 26.487 25.602 7.680 1.00 0.00 H new ATOM 0 HA2 GLY B 81 25.550 26.167 9.651 1.00 0.00 H new ATOM 0 HA3 GLY B 81 24.121 26.769 8.833 1.00 0.00 H new ATOM 1159 N TYR B 82 23.976 23.662 8.422 1.00 0.00 N ATOM 1160 CA TYR B 82 23.237 22.434 8.696 1.00 0.00 C ATOM 1161 C TYR B 82 23.935 21.188 8.156 1.00 0.00 C ATOM 1162 O TYR B 82 25.044 21.268 7.632 1.00 0.00 O ATOM 1163 CB TYR B 82 21.813 22.547 8.139 1.00 0.00 C ATOM 1164 CG TYR B 82 20.965 23.577 8.847 1.00 0.00 C ATOM 1165 CD1 TYR B 82 21.017 24.917 8.437 1.00 0.00 C ATOM 1166 CD2 TYR B 82 20.124 23.195 9.902 1.00 0.00 C ATOM 1167 CE1 TYR B 82 20.225 25.882 9.077 1.00 0.00 C ATOM 1168 CE2 TYR B 82 19.330 24.155 10.547 1.00 0.00 C ATOM 1169 CZ TYR B 82 19.375 25.503 10.138 1.00 0.00 C ATOM 1170 OH TYR B 82 18.603 26.433 10.766 1.00 0.00 O ATOM 0 H TYR B 82 24.429 23.678 7.508 1.00 0.00 H new ATOM 0 HA TYR B 82 23.195 22.315 9.779 1.00 0.00 H new ATOM 0 HB2 TYR B 82 21.865 22.798 7.080 1.00 0.00 H new ATOM 0 HB3 TYR B 82 21.325 21.575 8.212 1.00 0.00 H new ATOM 0 HD1 TYR B 82 21.669 25.207 7.626 1.00 0.00 H new ATOM 0 HD2 TYR B 82 20.088 22.163 10.218 1.00 0.00 H new ATOM 0 HE1 TYR B 82 20.266 26.913 8.758 1.00 0.00 H new ATOM 0 HE2 TYR B 82 18.682 23.860 11.359 1.00 0.00 H new ATOM 0 HH TYR B 82 18.078 26.000 11.472 1.00 0.00 H new ATOM 1180 N ARG B 83 23.279 20.033 8.285 1.00 0.00 N ATOM 1181 CA ARG B 83 23.749 18.767 7.761 1.00 0.00 C ATOM 1182 C ARG B 83 22.627 18.073 7.006 1.00 0.00 C ATOM 1183 O ARG B 83 21.483 18.076 7.453 1.00 0.00 O ATOM 1184 CB ARG B 83 24.248 17.911 8.915 1.00 0.00 C ATOM 1185 CG ARG B 83 25.622 18.404 9.382 1.00 0.00 C ATOM 1186 CD ARG B 83 26.155 17.484 10.483 1.00 0.00 C ATOM 1187 NE ARG B 83 27.444 17.966 10.994 1.00 0.00 N ATOM 1188 CZ ARG B 83 28.634 17.614 10.493 1.00 0.00 C ATOM 1189 NH1 ARG B 83 28.719 16.785 9.456 1.00 0.00 N ATOM 1190 NH2 ARG B 83 29.748 18.098 11.032 1.00 0.00 N ATOM 0 H ARG B 83 22.385 19.960 8.770 1.00 0.00 H new ATOM 0 HA ARG B 83 24.571 18.930 7.063 1.00 0.00 H new ATOM 0 HB2 ARG B 83 23.538 17.952 9.741 1.00 0.00 H new ATOM 0 HB3 ARG B 83 24.314 16.869 8.603 1.00 0.00 H new ATOM 0 HG2 ARG B 83 26.317 18.422 8.542 1.00 0.00 H new ATOM 0 HG3 ARG B 83 25.545 19.426 9.754 1.00 0.00 H new ATOM 0 HD2 ARG B 83 25.434 17.431 11.298 1.00 0.00 H new ATOM 0 HD3 ARG B 83 26.270 16.473 10.093 1.00 0.00 H new ATOM 0 HE ARG B 83 27.432 18.612 11.783 1.00 0.00 H new ATOM 0 HH11 ARG B 83 27.871 16.409 9.033 1.00 0.00 H new ATOM 0 HH12 ARG B 83 29.633 16.525 9.084 1.00 0.00 H new ATOM 0 HH21 ARG B 83 29.695 18.736 11.826 1.00 0.00 H new ATOM 0 HH22 ARG B 83 30.656 17.831 10.652 1.00 0.00 H new ATOM 1204 N LEU B 84 22.953 17.475 5.856 1.00 0.00 N ATOM 1205 CA LEU B 84 21.981 16.756 5.047 1.00 0.00 C ATOM 1206 C LEU B 84 21.388 15.615 5.866 1.00 0.00 C ATOM 1207 O LEU B 84 22.025 15.114 6.790 1.00 0.00 O ATOM 1208 CB LEU B 84 22.655 16.197 3.786 1.00 0.00 C ATOM 1209 CG LEU B 84 22.771 17.224 2.650 1.00 0.00 C ATOM 1210 CD1 LEU B 84 21.393 17.605 2.117 1.00 0.00 C ATOM 1211 CD2 LEU B 84 23.499 18.482 3.100 1.00 0.00 C ATOM 0 H LEU B 84 23.896 17.479 5.466 1.00 0.00 H new ATOM 0 HA LEU B 84 21.187 17.440 4.746 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.651 15.838 4.044 1.00 0.00 H new ATOM 0 HB3 LEU B 84 22.088 15.336 3.431 1.00 0.00 H new ATOM 0 HG LEU B 84 23.350 16.752 1.856 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.502 18.333 1.313 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.892 16.716 1.735 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.799 18.039 2.921 1.00 0.00 H new ATOM 0 HD21 LEU B 84 23.561 19.184 2.268 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.954 18.943 3.924 1.00 0.00 H new ATOM 0 HD23 LEU B 84 24.505 18.222 3.431 1.00 0.00 H new ATOM 1223 N ARG B 85 20.170 15.202 5.519 1.00 0.00 N ATOM 1224 CA ARG B 85 19.533 14.066 6.168 1.00 0.00 C ATOM 1225 C ARG B 85 19.188 13.033 5.110 1.00 0.00 C ATOM 1226 O ARG B 85 18.383 13.301 4.226 1.00 0.00 O ATOM 1227 CB ARG B 85 18.298 14.543 6.935 1.00 0.00 C ATOM 1228 CG ARG B 85 17.673 13.428 7.779 1.00 0.00 C ATOM 1229 CD ARG B 85 18.362 13.298 9.141 1.00 0.00 C ATOM 1230 NE ARG B 85 19.746 12.827 9.016 1.00 0.00 N ATOM 1231 CZ ARG B 85 20.792 13.382 9.634 1.00 0.00 C ATOM 1232 NH1 ARG B 85 20.635 14.429 10.441 1.00 0.00 N ATOM 1233 NH2 ARG B 85 22.011 12.885 9.443 1.00 0.00 N ATOM 0 H ARG B 85 19.607 15.640 4.790 1.00 0.00 H new ATOM 0 HA ARG B 85 20.205 13.602 6.890 1.00 0.00 H new ATOM 0 HB2 ARG B 85 18.574 15.375 7.583 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.558 14.920 6.229 1.00 0.00 H new ATOM 0 HG2 ARG B 85 16.612 13.633 7.925 1.00 0.00 H new ATOM 0 HG3 ARG B 85 17.744 12.482 7.243 1.00 0.00 H new ATOM 0 HD2 ARG B 85 18.352 14.264 9.645 1.00 0.00 H new ATOM 0 HD3 ARG B 85 17.799 12.606 9.767 1.00 0.00 H new ATOM 0 HE ARG B 85 19.921 12.021 8.416 1.00 0.00 H new ATOM 0 HH11 ARG B 85 19.705 14.819 10.595 1.00 0.00 H new ATOM 0 HH12 ARG B 85 21.444 14.841 10.905 1.00 0.00 H new ATOM 0 HH21 ARG B 85 22.144 12.083 8.827 1.00 0.00 H new ATOM 0 HH22 ARG B 85 22.813 13.306 9.913 1.00 0.00 H new ATOM 1247 N VAL B 86 19.804 11.856 5.208 1.00 0.00 N ATOM 1248 CA VAL B 86 19.548 10.762 4.286 1.00 0.00 C ATOM 1249 C VAL B 86 19.388 9.459 5.054 1.00 0.00 C ATOM 1250 O VAL B 86 20.355 8.739 5.284 1.00 0.00 O ATOM 1251 CB VAL B 86 20.654 10.672 3.224 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.239 9.697 2.125 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.922 12.039 2.593 1.00 0.00 C ATOM 0 H VAL B 86 20.492 11.639 5.929 1.00 0.00 H new ATOM 0 HA VAL B 86 18.614 10.954 3.757 1.00 0.00 H new ATOM 0 HB VAL B 86 21.563 10.323 3.715 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.027 9.637 1.375 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.074 8.710 2.557 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.319 10.046 1.657 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.709 11.946 1.845 1.00 0.00 H new ATOM 0 HG22 VAL B 86 20.012 12.405 2.118 1.00 0.00 H new ATOM 0 HG23 VAL B 86 21.236 12.741 3.365 1.00 0.00 H new ATOM 1263 N GLU B 87 18.150 9.164 5.449 1.00 0.00 N ATOM 1264 CA GLU B 87 17.831 7.933 6.161 1.00 0.00 C ATOM 1265 C GLU B 87 16.432 7.452 5.789 1.00 0.00 C ATOM 1266 O GLU B 87 15.606 8.234 5.329 1.00 0.00 O ATOM 1267 CB GLU B 87 17.948 8.158 7.673 1.00 0.00 C ATOM 1268 CG GLU B 87 16.917 9.185 8.157 1.00 0.00 C ATOM 1269 CD GLU B 87 17.029 9.440 9.660 1.00 0.00 C ATOM 1270 OE1 GLU B 87 16.264 10.301 10.146 1.00 0.00 O ATOM 1271 OE2 GLU B 87 17.869 8.777 10.311 1.00 0.00 O ATOM 0 H GLU B 87 17.346 9.770 5.284 1.00 0.00 H new ATOM 0 HA GLU B 87 18.542 7.160 5.871 1.00 0.00 H new ATOM 0 HB2 GLU B 87 17.800 7.214 8.197 1.00 0.00 H new ATOM 0 HB3 GLU B 87 18.953 8.504 7.916 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.058 10.122 7.618 1.00 0.00 H new ATOM 0 HG3 GLU B 87 15.913 8.830 7.923 1.00 0.00 H new ATOM 1278 N PHE B 88 16.170 6.158 5.986 1.00 0.00 N ATOM 1279 CA PHE B 88 14.874 5.572 5.681 1.00 0.00 C ATOM 1280 C PHE B 88 13.784 5.886 6.711 1.00 0.00 C ATOM 1281 O PHE B 88 14.098 6.157 7.872 1.00 0.00 O ATOM 1282 CB PHE B 88 15.004 4.069 5.416 1.00 0.00 C ATOM 1283 CG PHE B 88 15.959 3.365 6.353 1.00 0.00 C ATOM 1284 CD1 PHE B 88 15.507 2.900 7.598 1.00 0.00 C ATOM 1285 CD2 PHE B 88 17.296 3.180 5.977 1.00 0.00 C ATOM 1286 CE1 PHE B 88 16.398 2.255 8.467 1.00 0.00 C ATOM 1287 CE2 PHE B 88 18.186 2.533 6.846 1.00 0.00 C ATOM 1288 CZ PHE B 88 17.736 2.073 8.091 1.00 0.00 C ATOM 0 H PHE B 88 16.849 5.495 6.359 1.00 0.00 H new ATOM 0 HA PHE B 88 14.532 6.054 4.765 1.00 0.00 H new ATOM 0 HB2 PHE B 88 14.020 3.608 5.501 1.00 0.00 H new ATOM 0 HB3 PHE B 88 15.339 3.918 4.390 1.00 0.00 H new ATOM 0 HD1 PHE B 88 14.475 3.039 7.886 1.00 0.00 H new ATOM 0 HD2 PHE B 88 17.641 3.536 5.018 1.00 0.00 H new ATOM 0 HE1 PHE B 88 16.053 1.898 9.426 1.00 0.00 H new ATOM 0 HE2 PHE B 88 19.217 2.389 6.556 1.00 0.00 H new ATOM 0 HZ PHE B 88 18.422 1.577 8.762 1.00 0.00 H new ATOM 1298 N PRO B 89 12.505 5.849 6.299 1.00 0.00 N ATOM 1299 CA PRO B 89 11.367 6.027 7.185 1.00 0.00 C ATOM 1300 C PRO B 89 11.395 5.024 8.341 1.00 0.00 C ATOM 1301 O PRO B 89 11.131 5.458 9.484 1.00 0.00 O ATOM 1302 CB PRO B 89 10.124 5.838 6.313 1.00 0.00 C ATOM 1303 CG PRO B 89 10.620 6.086 4.889 1.00 0.00 C ATOM 1304 CD PRO B 89 12.080 5.652 4.928 1.00 0.00 C ATOM 0 HA PRO B 89 11.379 7.013 7.649 1.00 0.00 H new ATOM 0 HB2 PRO B 89 9.711 4.835 6.421 1.00 0.00 H new ATOM 0 HB3 PRO B 89 9.335 6.539 6.587 1.00 0.00 H new ATOM 0 HG2 PRO B 89 10.051 5.508 4.161 1.00 0.00 H new ATOM 0 HG3 PRO B 89 10.522 7.135 4.609 1.00 0.00 H new ATOM 0 HD2 PRO B 89 12.188 4.609 4.630 1.00 0.00 H new ATOM 0 HD3 PRO B 89 12.684 6.244 4.241 1.00 0.00 H new TER 1312 PRO B 89 ATOM 1313 O5' A A 90 18.590 16.410 11.054 1.00 0.00 O ATOM 1314 C5' A A 90 18.775 17.802 10.898 1.00 0.00 C ATOM 1315 C4' A A 90 17.410 18.494 10.853 1.00 0.00 C ATOM 1316 O4' A A 90 16.740 18.352 12.093 1.00 0.00 O ATOM 1317 C3' A A 90 17.585 19.994 10.675 1.00 0.00 C ATOM 1318 O3' A A 90 16.395 20.592 10.192 1.00 0.00 O ATOM 1319 C2' A A 90 17.864 20.446 12.104 1.00 0.00 C ATOM 1320 O2' A A 90 17.322 21.727 12.356 1.00 0.00 O ATOM 1321 C1' A A 90 17.198 19.368 12.972 1.00 0.00 C ATOM 1322 N9 A A 90 18.166 18.838 13.967 1.00 0.00 N ATOM 1323 C8 A A 90 19.090 19.533 14.707 1.00 0.00 C ATOM 1324 N7 A A 90 19.802 18.789 15.507 1.00 0.00 N ATOM 1325 C5 A A 90 19.312 17.504 15.287 1.00 0.00 C ATOM 1326 C6 A A 90 19.639 16.248 15.831 1.00 0.00 C ATOM 1327 N6 A A 90 20.595 16.070 16.747 1.00 0.00 N ATOM 1328 N1 A A 90 18.956 15.176 15.406 1.00 0.00 N ATOM 1329 C2 A A 90 18.005 15.342 14.496 1.00 0.00 C ATOM 1330 N3 A A 90 17.607 16.455 13.903 1.00 0.00 N ATOM 1331 C4 A A 90 18.312 17.522 14.353 1.00 0.00 C ATOM 0 H5' A A 90 19.329 18.006 9.982 1.00 0.00 H new ATOM 0 H5'' A A 90 19.368 18.196 11.723 1.00 0.00 H new ATOM 0 H4' A A 90 16.854 18.041 10.032 1.00 0.00 H new ATOM 0 H3' A A 90 18.361 20.263 9.958 1.00 0.00 H new ATOM 0 H2' A A 90 18.930 20.544 12.311 1.00 0.00 H new ATOM 0 HO2' A A 90 16.671 21.950 11.659 1.00 0.00 H new ATOM 0 HO5' A A 90 18.260 16.223 11.958 1.00 0.00 H new ATOM 0 H1' A A 90 16.360 19.775 13.538 1.00 0.00 H new ATOM 0 H8 A A 90 19.216 20.603 14.633 1.00 0.00 H new ATOM 0 H61 A A 90 20.789 15.135 17.107 1.00 0.00 H new ATOM 0 H62 A A 90 21.131 16.869 17.087 1.00 0.00 H new ATOM 0 H2 A A 90 17.484 14.444 14.198 1.00 0.00 H new ATOM 1344 P A A 91 15.960 20.461 8.646 1.00 0.00 P ATOM 1345 OP1 A A 91 17.183 20.524 7.815 1.00 0.00 O ATOM 1346 OP2 A A 91 14.855 21.415 8.393 1.00 0.00 O ATOM 1347 O5' A A 91 15.361 18.969 8.554 1.00 0.00 O ATOM 1348 C5' A A 91 14.107 18.664 9.127 1.00 0.00 C ATOM 1349 C4' A A 91 13.904 17.152 9.131 1.00 0.00 C ATOM 1350 O4' A A 91 14.799 16.538 10.044 1.00 0.00 O ATOM 1351 C3' A A 91 12.503 16.786 9.595 1.00 0.00 C ATOM 1352 O3' A A 91 11.575 16.781 8.524 1.00 0.00 O ATOM 1353 C2' A A 91 12.715 15.394 10.172 1.00 0.00 C ATOM 1354 O2' A A 91 12.595 14.414 9.161 1.00 0.00 O ATOM 1355 C1' A A 91 14.161 15.427 10.659 1.00 0.00 C ATOM 1356 N9 A A 91 14.206 15.556 12.133 1.00 0.00 N ATOM 1357 C8 A A 91 14.458 14.576 13.059 1.00 0.00 C ATOM 1358 N7 A A 91 14.442 14.992 14.296 1.00 0.00 N ATOM 1359 C5 A A 91 14.154 16.352 14.183 1.00 0.00 C ATOM 1360 C6 A A 91 13.990 17.378 15.131 1.00 0.00 C ATOM 1361 N6 A A 91 14.116 17.190 16.446 1.00 0.00 N ATOM 1362 N1 A A 91 13.690 18.604 14.686 1.00 0.00 N ATOM 1363 C2 A A 91 13.557 18.801 13.381 1.00 0.00 C ATOM 1364 N3 A A 91 13.688 17.933 12.392 1.00 0.00 N ATOM 1365 C4 A A 91 13.996 16.703 12.867 1.00 0.00 C ATOM 0 H5' A A 91 13.310 19.147 8.562 1.00 0.00 H new ATOM 0 H5'' A A 91 14.056 19.051 10.145 1.00 0.00 H new ATOM 0 H4' A A 91 14.074 16.810 8.110 1.00 0.00 H new ATOM 0 H3' A A 91 12.079 17.494 10.307 1.00 0.00 H new ATOM 0 H2' A A 91 11.990 15.151 10.949 1.00 0.00 H new ATOM 0 HO2' A A 91 12.735 13.525 9.549 1.00 0.00 H new ATOM 0 H1' A A 91 14.672 14.502 10.393 1.00 0.00 H new ATOM 0 H8 A A 91 14.653 13.549 12.788 1.00 0.00 H new ATOM 0 H61 A A 91 13.986 17.972 17.088 1.00 0.00 H new ATOM 0 H62 A A 91 14.343 16.264 16.809 1.00 0.00 H new ATOM 0 H2 A A 91 13.307 19.809 13.085 1.00 0.00 H new ATOM 1377 P C A 92 9.998 16.633 8.806 1.00 0.00 P ATOM 1378 OP1 C A 92 9.334 17.887 8.384 1.00 0.00 O ATOM 1379 OP2 C A 92 9.823 16.147 10.192 1.00 0.00 O ATOM 1380 O5' C A 92 9.540 15.451 7.808 1.00 0.00 O ATOM 1381 C5' C A 92 9.278 15.712 6.440 1.00 0.00 C ATOM 1382 C4' C A 92 8.407 14.602 5.841 1.00 0.00 C ATOM 1383 O4' C A 92 9.200 13.472 5.500 1.00 0.00 O ATOM 1384 C3' C A 92 7.358 14.142 6.849 1.00 0.00 C ATOM 1385 O3' C A 92 6.144 13.820 6.200 1.00 0.00 O ATOM 1386 C2' C A 92 8.003 12.894 7.434 1.00 0.00 C ATOM 1387 O2' C A 92 7.046 11.973 7.919 1.00 0.00 O ATOM 1388 C1' C A 92 8.759 12.346 6.238 1.00 0.00 C ATOM 1389 N1 C A 92 9.915 11.541 6.688 1.00 0.00 N ATOM 1390 C2 C A 92 9.963 10.196 6.343 1.00 0.00 C ATOM 1391 O2 C A 92 9.055 9.682 5.689 1.00 0.00 O ATOM 1392 N3 C A 92 11.038 9.464 6.740 1.00 0.00 N ATOM 1393 C4 C A 92 12.021 10.025 7.449 1.00 0.00 C ATOM 1394 N4 C A 92 13.061 9.272 7.812 1.00 0.00 N ATOM 1395 C5 C A 92 11.979 11.405 7.831 1.00 0.00 C ATOM 1396 C6 C A 92 10.900 12.116 7.436 1.00 0.00 C ATOM 0 H5' C A 92 10.217 15.783 5.891 1.00 0.00 H new ATOM 0 H5'' C A 92 8.775 16.673 6.337 1.00 0.00 H new ATOM 0 H4' C A 92 7.927 15.010 4.952 1.00 0.00 H new ATOM 0 H3' C A 92 7.102 14.897 7.593 1.00 0.00 H new ATOM 0 H2' C A 92 8.632 13.095 8.301 1.00 0.00 H new ATOM 0 HO2' C A 92 6.198 12.103 7.445 1.00 0.00 H new ATOM 0 H1' C A 92 8.128 11.697 5.631 1.00 0.00 H new ATOM 0 H41 C A 92 13.822 9.681 8.354 1.00 0.00 H new ATOM 0 H42 C A 92 13.095 8.287 7.548 1.00 0.00 H new ATOM 0 H5 C A 92 12.773 11.856 8.408 1.00 0.00 H new ATOM 0 H6 C A 92 10.816 13.155 7.717 1.00 0.00 H new ATOM 1408 P A A 93 5.143 14.976 5.696 1.00 0.00 P ATOM 1409 OP1 A A 93 5.895 16.249 5.627 1.00 0.00 O ATOM 1410 OP2 A A 93 3.905 14.902 6.501 1.00 0.00 O ATOM 1411 O5' A A 93 4.796 14.534 4.188 1.00 0.00 O ATOM 1412 C5' A A 93 3.844 13.529 3.935 1.00 0.00 C ATOM 1413 C4' A A 93 3.635 13.367 2.429 1.00 0.00 C ATOM 1414 O4' A A 93 4.628 12.498 1.888 1.00 0.00 O ATOM 1415 C3' A A 93 2.283 12.702 2.181 1.00 0.00 C ATOM 1416 O3' A A 93 1.799 13.019 0.887 1.00 0.00 O ATOM 1417 C2' A A 93 2.662 11.237 2.254 1.00 0.00 C ATOM 1418 O2' A A 93 1.736 10.414 1.583 1.00 0.00 O ATOM 1419 C1' A A 93 4.018 11.252 1.572 1.00 0.00 C ATOM 1420 N9 A A 93 4.841 10.107 1.988 1.00 0.00 N ATOM 1421 C8 A A 93 5.021 9.610 3.243 1.00 0.00 C ATOM 1422 N7 A A 93 5.790 8.556 3.295 1.00 0.00 N ATOM 1423 C5 A A 93 6.149 8.351 1.961 1.00 0.00 C ATOM 1424 C6 A A 93 6.959 7.399 1.312 1.00 0.00 C ATOM 1425 N6 A A 93 7.595 6.414 1.949 1.00 0.00 N ATOM 1426 N1 A A 93 7.092 7.489 -0.019 1.00 0.00 N ATOM 1427 C2 A A 93 6.468 8.466 -0.664 1.00 0.00 C ATOM 1428 N3 A A 93 5.690 9.422 -0.180 1.00 0.00 N ATOM 1429 C4 A A 93 5.575 9.300 1.163 1.00 0.00 C ATOM 0 H5' A A 93 2.899 13.784 4.415 1.00 0.00 H new ATOM 0 H5'' A A 93 4.177 12.585 4.367 1.00 0.00 H new ATOM 0 H4' A A 93 3.690 14.351 1.964 1.00 0.00 H new ATOM 0 H3' A A 93 1.499 13.006 2.874 1.00 0.00 H new ATOM 0 H2' A A 93 2.677 10.829 3.265 1.00 0.00 H new ATOM 0 HO2' A A 93 0.936 10.302 2.137 1.00 0.00 H new ATOM 0 H1' A A 93 3.910 11.154 0.492 1.00 0.00 H new ATOM 0 H8 A A 93 4.567 10.049 4.119 1.00 0.00 H new ATOM 0 H61 A A 93 8.168 5.754 1.424 1.00 0.00 H new ATOM 0 H62 A A 93 7.508 6.321 2.961 1.00 0.00 H new ATOM 0 H2 A A 93 6.615 8.484 -1.734 1.00 0.00 H new ATOM 1441 P A A 94 1.060 14.421 0.587 1.00 0.00 P ATOM 1442 OP1 A A 94 0.895 14.537 -0.879 1.00 0.00 O ATOM 1443 OP2 A A 94 1.771 15.490 1.323 1.00 0.00 O ATOM 1444 O5' A A 94 -0.399 14.222 1.245 1.00 0.00 O ATOM 1445 C5' A A 94 -0.653 14.668 2.563 1.00 0.00 C ATOM 1446 C4' A A 94 -2.014 14.188 3.069 1.00 0.00 C ATOM 1447 O4' A A 94 -3.063 14.693 2.247 1.00 0.00 O ATOM 1448 C3' A A 94 -2.123 12.659 3.101 1.00 0.00 C ATOM 1449 O3' A A 94 -2.037 12.141 4.417 1.00 0.00 O ATOM 1450 C2' A A 94 -3.515 12.410 2.536 1.00 0.00 C ATOM 1451 O2' A A 94 -4.492 12.468 3.555 1.00 0.00 O ATOM 1452 C1' A A 94 -3.699 13.600 1.604 1.00 0.00 C ATOM 1453 N9 A A 94 -3.068 13.361 0.284 1.00 0.00 N ATOM 1454 C8 A A 94 -2.553 12.198 -0.236 1.00 0.00 C ATOM 1455 N7 A A 94 -2.078 12.319 -1.446 1.00 0.00 N ATOM 1456 C5 A A 94 -2.299 13.659 -1.753 1.00 0.00 C ATOM 1457 C6 A A 94 -2.037 14.436 -2.896 1.00 0.00 C ATOM 1458 N6 A A 94 -1.453 13.953 -3.998 1.00 0.00 N ATOM 1459 N1 A A 94 -2.396 15.726 -2.875 1.00 0.00 N ATOM 1460 C2 A A 94 -2.985 16.215 -1.791 1.00 0.00 C ATOM 1461 N3 A A 94 -3.287 15.598 -0.659 1.00 0.00 N ATOM 1462 C4 A A 94 -2.905 14.300 -0.707 1.00 0.00 C ATOM 0 H5' A A 94 -0.617 15.757 2.592 1.00 0.00 H new ATOM 0 H5'' A A 94 0.131 14.305 3.228 1.00 0.00 H new ATOM 0 H4' A A 94 -2.109 14.566 4.087 1.00 0.00 H new ATOM 0 H3' A A 94 -1.317 12.177 2.548 1.00 0.00 H new ATOM 0 H2' A A 94 -3.616 11.434 2.061 1.00 0.00 H new ATOM 0 HO2' A A 94 -4.105 12.153 4.398 1.00 0.00 H new ATOM 0 H1' A A 94 -4.757 13.783 1.418 1.00 0.00 H new ATOM 0 H8 A A 94 -2.542 11.265 0.309 1.00 0.00 H new ATOM 0 H61 A A 94 -1.288 14.564 -4.798 1.00 0.00 H new ATOM 0 H62 A A 94 -1.173 12.973 -4.039 1.00 0.00 H new ATOM 0 H2 A A 94 -3.255 17.260 -1.839 1.00 0.00 H new ATOM 1474 P A A 95 -0.619 11.750 5.066 1.00 0.00 P ATOM 1475 OP1 A A 95 0.124 10.928 4.087 1.00 0.00 O ATOM 1476 OP2 A A 95 -0.866 11.222 6.428 1.00 0.00 O ATOM 1477 O5' A A 95 0.134 13.165 5.204 1.00 0.00 O ATOM 1478 C5' A A 95 -0.105 14.023 6.300 1.00 0.00 C ATOM 1479 C4' A A 95 0.609 15.351 6.051 1.00 0.00 C ATOM 1480 O4' A A 95 -0.193 16.176 5.210 1.00 0.00 O ATOM 1481 C3' A A 95 0.839 16.109 7.360 1.00 0.00 C ATOM 1482 O3' A A 95 2.112 16.726 7.322 1.00 0.00 O ATOM 1483 C2' A A 95 -0.259 17.158 7.338 1.00 0.00 C ATOM 1484 O2' A A 95 0.092 18.317 8.074 1.00 0.00 O ATOM 1485 C1' A A 95 -0.381 17.429 5.846 1.00 0.00 C ATOM 1486 N9 A A 95 -1.704 18.011 5.535 1.00 0.00 N ATOM 1487 C8 A A 95 -1.996 19.300 5.166 1.00 0.00 C ATOM 1488 N7 A A 95 -3.267 19.523 4.967 1.00 0.00 N ATOM 1489 C5 A A 95 -3.861 18.289 5.232 1.00 0.00 C ATOM 1490 C6 A A 95 -5.197 17.842 5.213 1.00 0.00 C ATOM 1491 N6 A A 95 -6.234 18.622 4.892 1.00 0.00 N ATOM 1492 N1 A A 95 -5.439 16.560 5.527 1.00 0.00 N ATOM 1493 C2 A A 95 -4.420 15.771 5.839 1.00 0.00 C ATOM 1494 N3 A A 95 -3.129 16.060 5.897 1.00 0.00 N ATOM 1495 C4 A A 95 -2.916 17.359 5.574 1.00 0.00 C ATOM 0 H5' A A 95 0.256 13.567 7.222 1.00 0.00 H new ATOM 0 H5'' A A 95 -1.175 14.187 6.424 1.00 0.00 H new ATOM 0 H4' A A 95 1.568 15.127 5.584 1.00 0.00 H new ATOM 0 H3' A A 95 0.813 15.482 8.251 1.00 0.00 H new ATOM 0 H2' A A 95 -1.190 16.839 7.805 1.00 0.00 H new ATOM 0 HO2' A A 95 -0.641 18.966 8.032 1.00 0.00 H new ATOM 0 HO3' A A 95 2.803 16.042 7.198 1.00 0.00 H new ATOM 0 H1' A A 95 0.357 18.152 5.498 1.00 0.00 H new ATOM 0 H8 A A 95 -1.241 20.063 5.050 1.00 0.00 H new ATOM 0 H61 A A 95 -7.180 18.240 4.896 1.00 0.00 H new ATOM 0 H62 A A 95 -6.079 19.599 4.643 1.00 0.00 H new ATOM 0 H2 A A 95 -4.679 14.750 6.079 1.00 0.00 H new TER 1508 A A 95