USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 791 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 1 GLY N :NH3+ 176:sc= 1.07 (180deg=0) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0.919 USER MOD Single : A 12 THR OG1 : rot -142:sc= 1.35 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0407 K(o=-0.041,f=-0.87) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0676) USER MOD Single : A 24 ASN : amide:sc= 1.85 K(o=1.9,f=-4.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot -137:sc= 1.28 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.0142 X(o=0.014,f=-0.00016) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -3:sc= 0.00648 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -148:sc= 0.00161 (180deg=-0.0834) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= 0.787 (180deg=0.603) USER MOD Single : A 58 TYR OH : rot -16:sc= 0.244 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -63:sc= 1.16 USER MOD Single : A 67 SER OG : rot -51:sc= 0.607 USER MOD Single : A 69 LYS NZ :NH3+ -170:sc=-0.000305 (180deg=-0.128) USER MOD Single : A 76 SER OG : rot -170:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00258 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 1.03 K(o=1,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.027 -8.390 -1.943 1.00 0.00 N ATOM 2 CA GLY A 1 10.179 -9.838 -2.173 1.00 0.00 C ATOM 3 C GLY A 1 9.365 -10.302 -3.380 1.00 0.00 C ATOM 4 O GLY A 1 8.836 -9.484 -4.133 1.00 0.00 O ATOM 0 H1 GLY A 1 10.537 -8.120 -1.078 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.418 -7.867 -2.753 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.019 -8.159 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.231 -10.074 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.859 -10.384 -1.285 1.00 0.00 H new ATOM 10 N GLU A 2 9.254 -11.620 -3.564 1.00 0.00 N ATOM 11 CA GLU A 2 8.326 -12.190 -4.530 1.00 0.00 C ATOM 12 C GLU A 2 6.889 -11.897 -4.076 1.00 0.00 C ATOM 13 O GLU A 2 6.673 -11.528 -2.922 1.00 0.00 O ATOM 14 CB GLU A 2 8.571 -13.700 -4.649 1.00 0.00 C ATOM 15 CG GLU A 2 9.991 -14.005 -5.149 1.00 0.00 C ATOM 16 CD GLU A 2 10.211 -15.507 -5.300 1.00 0.00 C ATOM 17 OE1 GLU A 2 9.713 -16.053 -6.307 1.00 0.00 O ATOM 18 OE2 GLU A 2 10.866 -16.079 -4.402 1.00 0.00 O ATOM 0 H GLU A 2 9.801 -12.312 -3.051 1.00 0.00 H new ATOM 0 HA GLU A 2 8.481 -11.743 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.417 -14.172 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.842 -14.135 -5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.156 -13.512 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.721 -13.596 -4.451 1.00 0.00 H new ATOM 25 N TRP A 3 5.913 -12.076 -4.973 1.00 0.00 N ATOM 26 CA TRP A 3 4.505 -11.897 -4.637 1.00 0.00 C ATOM 27 C TRP A 3 4.137 -12.740 -3.417 1.00 0.00 C ATOM 28 O TRP A 3 4.154 -13.967 -3.496 1.00 0.00 O ATOM 29 CB TRP A 3 3.604 -12.260 -5.823 1.00 0.00 C ATOM 30 CG TRP A 3 3.414 -11.191 -6.855 1.00 0.00 C ATOM 31 CD1 TRP A 3 3.700 -11.305 -8.171 1.00 0.00 C ATOM 32 CD2 TRP A 3 2.865 -9.847 -6.680 1.00 0.00 C ATOM 33 NE1 TRP A 3 3.384 -10.128 -8.817 1.00 0.00 N ATOM 34 CE2 TRP A 3 2.872 -9.190 -7.945 1.00 0.00 C ATOM 35 CE3 TRP A 3 2.379 -9.106 -5.578 1.00 0.00 C ATOM 36 CZ2 TRP A 3 2.423 -7.871 -8.110 1.00 0.00 C ATOM 37 CZ3 TRP A 3 1.983 -7.763 -5.722 1.00 0.00 C ATOM 38 CH2 TRP A 3 1.979 -7.153 -6.989 1.00 0.00 C ATOM 0 H TRP A 3 6.079 -12.346 -5.942 1.00 0.00 H new ATOM 0 HA TRP A 3 4.347 -10.845 -4.400 1.00 0.00 H new ATOM 0 HB2 TRP A 3 4.019 -13.141 -6.313 1.00 0.00 H new ATOM 0 HB3 TRP A 3 2.625 -12.542 -5.437 1.00 0.00 H new ATOM 0 HD1 TRP A 3 4.113 -12.183 -8.644 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.513 -9.971 -9.816 1.00 0.00 H new ATOM 0 HE3 TRP A 3 2.311 -9.579 -4.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 2.419 -7.414 -9.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.680 -7.197 -4.853 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.635 -6.135 -7.099 1.00 0.00 H new ATOM 49 N GLU A 4 3.789 -12.090 -2.303 1.00 0.00 N ATOM 50 CA GLU A 4 3.362 -12.762 -1.088 1.00 0.00 C ATOM 51 C GLU A 4 2.469 -11.814 -0.293 1.00 0.00 C ATOM 52 O GLU A 4 2.558 -10.593 -0.447 1.00 0.00 O ATOM 53 CB GLU A 4 4.599 -13.212 -0.293 1.00 0.00 C ATOM 54 CG GLU A 4 4.318 -14.015 0.987 1.00 0.00 C ATOM 55 CD GLU A 4 3.477 -15.261 0.728 1.00 0.00 C ATOM 56 OE1 GLU A 4 2.234 -15.117 0.752 1.00 0.00 O ATOM 57 OE2 GLU A 4 4.088 -16.328 0.504 1.00 0.00 O ATOM 0 H GLU A 4 3.798 -11.073 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 4 2.782 -13.656 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.228 -13.816 -0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.176 -12.327 -0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.264 -14.308 1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.803 -13.377 1.705 1.00 0.00 H new ATOM 64 N ILE A 5 1.596 -12.397 0.529 1.00 0.00 N ATOM 65 CA ILE A 5 0.705 -11.673 1.415 1.00 0.00 C ATOM 66 C ILE A 5 1.490 -11.294 2.674 1.00 0.00 C ATOM 67 O ILE A 5 2.237 -12.122 3.192 1.00 0.00 O ATOM 68 CB ILE A 5 -0.513 -12.537 1.793 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.085 -13.394 0.647 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.616 -11.667 2.412 1.00 0.00 C ATOM 71 CD1 ILE A 5 -1.433 -12.605 -0.616 1.00 0.00 C ATOM 0 H ILE A 5 1.492 -13.410 0.593 1.00 0.00 H new ATOM 0 HA ILE A 5 0.335 -10.779 0.913 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.139 -13.252 2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.360 -14.167 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.981 -13.903 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.469 -12.293 2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.235 -11.180 3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.928 -10.909 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.829 -13.284 -1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.182 -11.850 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.536 -12.118 -0.999 1.00 0.00 H new ATOM 83 N ILE A 6 1.316 -10.076 3.184 1.00 0.00 N ATOM 84 CA ILE A 6 1.909 -9.647 4.443 1.00 0.00 C ATOM 85 C ILE A 6 0.872 -9.685 5.565 1.00 0.00 C ATOM 86 O ILE A 6 -0.330 -9.590 5.321 1.00 0.00 O ATOM 87 CB ILE A 6 2.550 -8.259 4.301 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.549 -7.163 3.899 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.714 -8.342 3.308 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.144 -5.759 4.014 1.00 0.00 C ATOM 0 H ILE A 6 0.755 -9.356 2.729 1.00 0.00 H new ATOM 0 HA ILE A 6 2.705 -10.343 4.708 1.00 0.00 H new ATOM 0 HB ILE A 6 2.921 -7.964 5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.221 -7.333 2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.664 -7.233 4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.173 -7.359 3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.455 -9.052 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.342 -8.674 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.397 -5.022 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.447 -5.576 5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.012 -5.677 3.360 1.00 0.00 H new ATOM 102 N ASP A 7 1.348 -9.813 6.805 1.00 0.00 N ATOM 103 CA ASP A 7 0.516 -9.735 7.988 1.00 0.00 C ATOM 104 C ASP A 7 -0.058 -8.328 8.102 1.00 0.00 C ATOM 105 O ASP A 7 0.586 -7.348 7.724 1.00 0.00 O ATOM 106 CB ASP A 7 1.341 -10.052 9.242 1.00 0.00 C ATOM 107 CG ASP A 7 1.941 -11.452 9.200 1.00 0.00 C ATOM 108 OD1 ASP A 7 3.033 -11.575 8.601 1.00 0.00 O ATOM 109 OD2 ASP A 7 1.297 -12.366 9.756 1.00 0.00 O ATOM 0 H ASP A 7 2.334 -9.975 7.009 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.291 -10.463 7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.141 -9.319 9.343 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.708 -9.956 10.124 1.00 0.00 H new ATOM 114 N ILE A 8 -1.256 -8.237 8.669 1.00 0.00 N ATOM 115 CA ILE A 8 -1.888 -7.006 9.075 1.00 0.00 C ATOM 116 C ILE A 8 -1.605 -6.791 10.563 1.00 0.00 C ATOM 117 O ILE A 8 -1.727 -7.716 11.362 1.00 0.00 O ATOM 118 CB ILE A 8 -3.387 -7.036 8.731 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.055 -8.418 8.568 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.576 -6.254 7.426 1.00 0.00 C ATOM 121 CD1 ILE A 8 -4.160 -9.201 9.879 1.00 0.00 C ATOM 0 H ILE A 8 -1.830 -9.058 8.862 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.480 -6.154 8.531 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.883 -6.603 9.600 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.054 -8.284 8.153 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.486 -9.005 7.847 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.631 -6.255 7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.238 -5.227 7.565 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.994 -6.724 6.633 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.639 -10.162 9.691 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.162 -9.366 10.285 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.754 -8.633 10.595 1.00 0.00 H new ATOM 133 N GLY A 9 -1.180 -5.582 10.930 1.00 0.00 N ATOM 134 CA GLY A 9 -0.767 -5.246 12.280 1.00 0.00 C ATOM 135 C GLY A 9 -0.348 -3.777 12.301 1.00 0.00 C ATOM 136 O GLY A 9 -0.589 -3.079 11.314 1.00 0.00 O ATOM 0 H GLY A 9 -1.114 -4.799 10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.584 -5.418 12.981 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.061 -5.882 12.593 1.00 0.00 H new ATOM 140 N PRO A 10 0.283 -3.295 13.385 1.00 0.00 N ATOM 141 CA PRO A 10 0.625 -1.890 13.556 1.00 0.00 C ATOM 142 C PRO A 10 1.465 -1.354 12.392 1.00 0.00 C ATOM 143 O PRO A 10 1.198 -0.266 11.895 1.00 0.00 O ATOM 144 CB PRO A 10 1.338 -1.786 14.909 1.00 0.00 C ATOM 145 CG PRO A 10 1.785 -3.216 15.214 1.00 0.00 C ATOM 146 CD PRO A 10 0.710 -4.068 14.541 1.00 0.00 C ATOM 0 HA PRO A 10 -0.267 -1.263 13.550 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.188 -1.106 14.859 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.670 -1.405 15.682 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.775 -3.423 14.809 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.834 -3.403 16.287 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.106 -5.038 14.242 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.123 -4.258 15.218 1.00 0.00 H new ATOM 154 N PHE A 11 2.457 -2.122 11.935 1.00 0.00 N ATOM 155 CA PHE A 11 3.253 -1.804 10.755 1.00 0.00 C ATOM 156 C PHE A 11 2.358 -1.503 9.543 1.00 0.00 C ATOM 157 O PHE A 11 2.427 -0.437 8.929 1.00 0.00 O ATOM 158 CB PHE A 11 4.191 -2.986 10.471 1.00 0.00 C ATOM 159 CG PHE A 11 4.944 -2.904 9.158 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.099 -2.106 9.054 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.506 -3.649 8.044 1.00 0.00 C ATOM 162 CE1 PHE A 11 6.832 -2.082 7.855 1.00 0.00 C ATOM 163 CE2 PHE A 11 5.241 -3.625 6.847 1.00 0.00 C ATOM 164 CZ PHE A 11 6.412 -2.852 6.757 1.00 0.00 C ATOM 0 H PHE A 11 2.731 -2.996 12.384 1.00 0.00 H new ATOM 0 HA PHE A 11 3.840 -0.905 10.942 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.914 -3.060 11.283 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.606 -3.905 10.480 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.422 -1.512 9.896 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.604 -4.239 8.111 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.719 -1.471 7.777 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.907 -4.200 5.996 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.989 -2.850 5.844 1.00 0.00 H new ATOM 174 N THR A 12 1.511 -2.466 9.193 1.00 0.00 N ATOM 175 CA THR A 12 0.677 -2.428 8.010 1.00 0.00 C ATOM 176 C THR A 12 -0.311 -1.276 8.108 1.00 0.00 C ATOM 177 O THR A 12 -0.474 -0.503 7.161 1.00 0.00 O ATOM 178 CB THR A 12 -0.029 -3.784 7.885 1.00 0.00 C ATOM 179 OG1 THR A 12 0.681 -4.758 8.638 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.133 -4.205 6.421 1.00 0.00 C ATOM 0 H THR A 12 1.387 -3.315 9.744 1.00 0.00 H new ATOM 0 HA THR A 12 1.275 -2.257 7.115 1.00 0.00 H new ATOM 0 HB THR A 12 -1.041 -3.697 8.279 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.681 -5.610 8.154 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.637 -5.169 6.355 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.703 -3.459 5.867 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.867 -4.288 5.994 1.00 0.00 H new ATOM 188 N GLN A 13 -0.936 -1.148 9.283 1.00 0.00 N ATOM 189 CA GLN A 13 -1.748 -0.005 9.614 1.00 0.00 C ATOM 190 C GLN A 13 -0.963 1.261 9.313 1.00 0.00 C ATOM 191 O GLN A 13 -1.412 2.039 8.486 1.00 0.00 O ATOM 192 CB GLN A 13 -2.192 -0.078 11.076 1.00 0.00 C ATOM 193 CG GLN A 13 -3.340 -1.075 11.267 1.00 0.00 C ATOM 194 CD GLN A 13 -3.928 -0.962 12.667 1.00 0.00 C ATOM 195 OE1 GLN A 13 -3.528 -1.683 13.574 1.00 0.00 O ATOM 196 NE2 GLN A 13 -4.889 -0.061 12.858 1.00 0.00 N ATOM 0 H GLN A 13 -0.883 -1.846 10.025 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.654 0.004 9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.347 -0.371 11.699 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.508 0.910 11.411 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.117 -0.888 10.525 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.978 -2.090 11.101 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.200 0.525 12.083 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.314 0.044 13.779 1.00 0.00 H new ATOM 205 N ASN A 14 0.209 1.444 9.922 1.00 0.00 N ATOM 206 CA ASN A 14 1.030 2.639 9.757 1.00 0.00 C ATOM 207 C ASN A 14 1.212 2.979 8.278 1.00 0.00 C ATOM 208 O ASN A 14 1.013 4.122 7.882 1.00 0.00 O ATOM 209 CB ASN A 14 2.378 2.464 10.474 1.00 0.00 C ATOM 210 CG ASN A 14 3.186 3.756 10.576 1.00 0.00 C ATOM 211 OD1 ASN A 14 2.807 4.801 10.062 1.00 0.00 O ATOM 212 ND2 ASN A 14 4.323 3.700 11.266 1.00 0.00 N ATOM 0 H ASN A 14 0.619 0.755 10.553 1.00 0.00 H new ATOM 0 HA ASN A 14 0.515 3.482 10.218 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.199 2.076 11.477 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.968 1.717 9.944 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.896 4.537 11.374 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.621 2.820 11.687 1.00 0.00 H new ATOM 219 N LEU A 15 1.531 1.993 7.437 1.00 0.00 N ATOM 220 CA LEU A 15 1.675 2.243 6.005 1.00 0.00 C ATOM 221 C LEU A 15 0.354 2.702 5.372 1.00 0.00 C ATOM 222 O LEU A 15 0.312 3.735 4.702 1.00 0.00 O ATOM 223 CB LEU A 15 2.250 1.011 5.297 1.00 0.00 C ATOM 224 CG LEU A 15 3.728 0.770 5.650 1.00 0.00 C ATOM 225 CD1 LEU A 15 4.142 -0.615 5.150 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.658 1.808 5.005 1.00 0.00 C ATOM 0 H LEU A 15 1.692 1.026 7.720 1.00 0.00 H new ATOM 0 HA LEU A 15 2.383 3.062 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.666 0.132 5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.152 1.136 4.219 1.00 0.00 H new ATOM 0 HG LEU A 15 3.822 0.851 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.189 -0.793 5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.523 -1.374 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.010 -0.666 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.690 1.595 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.558 1.762 3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.387 2.805 5.352 1.00 0.00 H new ATOM 238 N GLY A 16 -0.736 1.964 5.588 1.00 0.00 N ATOM 239 CA GLY A 16 -2.045 2.353 5.051 1.00 0.00 C ATOM 240 C GLY A 16 -2.518 3.713 5.588 1.00 0.00 C ATOM 241 O GLY A 16 -3.189 4.490 4.913 1.00 0.00 O ATOM 0 H GLY A 16 -0.741 1.098 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.991 2.394 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.780 1.590 5.305 1.00 0.00 H new ATOM 245 N LYS A 17 -2.151 3.996 6.829 1.00 0.00 N ATOM 246 CA LYS A 17 -2.475 5.198 7.570 1.00 0.00 C ATOM 247 C LYS A 17 -1.758 6.343 6.883 1.00 0.00 C ATOM 248 O LYS A 17 -2.382 7.291 6.436 1.00 0.00 O ATOM 249 CB LYS A 17 -2.022 5.056 9.033 1.00 0.00 C ATOM 250 CG LYS A 17 -2.767 5.957 10.015 1.00 0.00 C ATOM 251 CD LYS A 17 -2.773 7.410 9.544 1.00 0.00 C ATOM 252 CE LYS A 17 -3.340 8.373 10.594 1.00 0.00 C ATOM 253 NZ LYS A 17 -2.454 8.504 11.764 1.00 0.00 N ATOM 0 H LYS A 17 -1.583 3.349 7.376 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.550 5.379 7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.151 4.018 9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.956 5.276 9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.793 5.605 10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.298 5.893 10.997 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.755 7.710 9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.362 7.488 8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.490 9.354 10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.318 8.019 10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.787 9.284 12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.465 7.618 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.484 8.702 11.445 1.00 0.00 H new ATOM 267 N PHE A 18 -0.440 6.226 6.789 1.00 0.00 N ATOM 268 CA PHE A 18 0.442 7.117 6.060 1.00 0.00 C ATOM 269 C PHE A 18 -0.110 7.386 4.660 1.00 0.00 C ATOM 270 O PHE A 18 -0.173 8.534 4.228 1.00 0.00 O ATOM 271 CB PHE A 18 1.839 6.486 6.046 1.00 0.00 C ATOM 272 CG PHE A 18 2.802 7.062 5.037 1.00 0.00 C ATOM 273 CD1 PHE A 18 3.536 8.223 5.340 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.998 6.403 3.809 1.00 0.00 C ATOM 275 CE1 PHE A 18 4.504 8.691 4.439 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.961 6.878 2.906 1.00 0.00 C ATOM 277 CZ PHE A 18 4.731 8.006 3.235 1.00 0.00 C ATOM 0 H PHE A 18 0.065 5.466 7.244 1.00 0.00 H new ATOM 0 HA PHE A 18 0.508 8.091 6.544 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.276 6.590 7.039 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.734 5.418 5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.355 8.753 6.264 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.408 5.533 3.562 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.074 9.578 4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.110 6.378 1.960 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.501 8.348 2.559 1.00 0.00 H new ATOM 287 N ALA A 19 -0.566 6.337 3.972 1.00 0.00 N ATOM 288 CA ALA A 19 -1.195 6.476 2.667 1.00 0.00 C ATOM 289 C ALA A 19 -2.390 7.428 2.747 1.00 0.00 C ATOM 290 O ALA A 19 -2.458 8.420 2.021 1.00 0.00 O ATOM 291 CB ALA A 19 -1.591 5.100 2.125 1.00 0.00 C ATOM 0 H ALA A 19 -0.508 5.375 4.306 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.482 6.913 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.061 5.215 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.702 4.477 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.293 4.627 2.812 1.00 0.00 H new ATOM 297 N VAL A 20 -3.317 7.142 3.662 1.00 0.00 N ATOM 298 CA VAL A 20 -4.486 7.987 3.896 1.00 0.00 C ATOM 299 C VAL A 20 -4.075 9.403 4.314 1.00 0.00 C ATOM 300 O VAL A 20 -4.709 10.367 3.908 1.00 0.00 O ATOM 301 CB VAL A 20 -5.438 7.339 4.917 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.565 8.295 5.342 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.088 6.091 4.306 1.00 0.00 C ATOM 0 H VAL A 20 -3.277 6.318 4.261 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.031 8.078 2.956 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.839 7.084 5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.213 7.796 6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.134 9.186 5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.149 8.581 4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.760 5.638 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.652 6.373 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.314 5.375 4.032 1.00 0.00 H new ATOM 313 N ASP A 21 -3.031 9.549 5.127 1.00 0.00 N ATOM 314 CA ASP A 21 -2.542 10.833 5.600 1.00 0.00 C ATOM 315 C ASP A 21 -2.037 11.666 4.422 1.00 0.00 C ATOM 316 O ASP A 21 -2.382 12.835 4.292 1.00 0.00 O ATOM 317 CB ASP A 21 -1.455 10.621 6.657 1.00 0.00 C ATOM 318 CG ASP A 21 -0.870 11.955 7.109 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.524 12.599 7.958 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.215 12.305 6.598 1.00 0.00 O ATOM 0 H ASP A 21 -2.493 8.758 5.480 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.356 11.385 6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.873 10.093 7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.664 9.991 6.250 1.00 0.00 H new ATOM 325 N GLU A 22 -1.240 11.053 3.548 1.00 0.00 N ATOM 326 CA GLU A 22 -0.742 11.676 2.332 1.00 0.00 C ATOM 327 C GLU A 22 -1.934 12.063 1.445 1.00 0.00 C ATOM 328 O GLU A 22 -2.028 13.189 0.956 1.00 0.00 O ATOM 329 CB GLU A 22 0.228 10.698 1.644 1.00 0.00 C ATOM 330 CG GLU A 22 1.245 11.392 0.726 1.00 0.00 C ATOM 331 CD GLU A 22 0.604 12.102 -0.460 1.00 0.00 C ATOM 332 OE1 GLU A 22 -0.206 11.440 -1.144 1.00 0.00 O ATOM 333 OE2 GLU A 22 0.945 13.287 -0.661 1.00 0.00 O ATOM 0 H GLU A 22 -0.919 10.093 3.671 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.190 12.592 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.764 10.133 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.346 9.979 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.815 12.116 1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.954 10.651 0.357 1.00 0.00 H new ATOM 340 N GLU A 23 -2.871 11.129 1.268 1.00 0.00 N ATOM 341 CA GLU A 23 -4.074 11.353 0.485 1.00 0.00 C ATOM 342 C GLU A 23 -4.827 12.570 1.033 1.00 0.00 C ATOM 343 O GLU A 23 -5.145 13.488 0.285 1.00 0.00 O ATOM 344 CB GLU A 23 -4.909 10.064 0.489 1.00 0.00 C ATOM 345 CG GLU A 23 -5.988 10.034 -0.595 1.00 0.00 C ATOM 346 CD GLU A 23 -7.182 10.919 -0.260 1.00 0.00 C ATOM 347 OE1 GLU A 23 -7.973 10.493 0.606 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.287 11.999 -0.878 1.00 0.00 O ATOM 0 H GLU A 23 -2.810 10.193 1.669 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.835 11.583 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.245 9.210 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.382 9.949 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.555 10.357 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.329 9.008 -0.734 1.00 0.00 H new ATOM 355 N ASN A 24 -5.068 12.591 2.345 1.00 0.00 N ATOM 356 CA ASN A 24 -5.710 13.670 3.073 1.00 0.00 C ATOM 357 C ASN A 24 -4.933 14.972 2.881 1.00 0.00 C ATOM 358 O ASN A 24 -5.539 16.022 2.693 1.00 0.00 O ATOM 359 CB ASN A 24 -5.759 13.313 4.567 1.00 0.00 C ATOM 360 CG ASN A 24 -6.882 12.367 4.992 1.00 0.00 C ATOM 361 OD1 ASN A 24 -7.681 11.896 4.191 1.00 0.00 O ATOM 362 ND2 ASN A 24 -6.989 12.111 6.295 1.00 0.00 N ATOM 0 H ASN A 24 -4.805 11.815 2.952 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.722 13.806 2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.806 12.862 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.853 14.237 5.138 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.743 11.516 6.638 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.317 12.510 6.950 1.00 0.00 H new ATOM 369 N LYS A 25 -3.598 14.914 2.943 1.00 0.00 N ATOM 370 CA LYS A 25 -2.741 16.078 2.754 1.00 0.00 C ATOM 371 C LYS A 25 -2.991 16.700 1.379 1.00 0.00 C ATOM 372 O LYS A 25 -3.130 17.917 1.272 1.00 0.00 O ATOM 373 CB LYS A 25 -1.269 15.686 2.958 1.00 0.00 C ATOM 374 CG LYS A 25 -0.319 16.889 2.924 1.00 0.00 C ATOM 375 CD LYS A 25 1.126 16.395 3.062 1.00 0.00 C ATOM 376 CE LYS A 25 2.110 17.567 2.982 1.00 0.00 C ATOM 377 NZ LYS A 25 3.504 17.099 3.077 1.00 0.00 N ATOM 0 H LYS A 25 -3.084 14.052 3.127 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.983 16.836 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.164 15.174 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.977 14.977 2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.441 17.437 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.559 17.580 3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.249 15.875 4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.346 15.675 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.966 18.103 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.905 18.273 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.148 17.913 3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.645 16.609 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.704 16.444 2.295 1.00 0.00 H new ATOM 391 N ILE A 26 -3.055 15.878 0.326 1.00 0.00 N ATOM 392 CA ILE A 26 -3.444 16.363 -0.997 1.00 0.00 C ATOM 393 C ILE A 26 -4.899 16.850 -0.960 1.00 0.00 C ATOM 394 O ILE A 26 -5.233 17.876 -1.547 1.00 0.00 O ATOM 395 CB ILE A 26 -3.216 15.277 -2.071 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.718 14.923 -2.146 1.00 0.00 C ATOM 397 CG2 ILE A 26 -3.709 15.765 -3.444 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.414 13.780 -3.119 1.00 0.00 C ATOM 0 H ILE A 26 -2.844 14.881 0.366 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.814 17.209 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.783 14.388 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.157 15.807 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.367 14.648 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.540 14.987 -4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.774 15.990 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.162 16.664 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.342 13.582 -3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.948 12.883 -2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.735 14.061 -4.122 1.00 0.00 H new ATOM 410 N GLY A 27 -5.772 16.088 -0.299 1.00 0.00 N ATOM 411 CA GLY A 27 -7.200 16.332 -0.225 1.00 0.00 C ATOM 412 C GLY A 27 -7.912 15.792 -1.461 1.00 0.00 C ATOM 413 O GLY A 27 -9.047 16.179 -1.734 1.00 0.00 O ATOM 0 H GLY A 27 -5.486 15.255 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.607 15.860 0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.385 17.402 -0.133 1.00 0.00 H new ATOM 417 N GLN A 28 -7.267 14.883 -2.206 1.00 0.00 N ATOM 418 CA GLN A 28 -7.769 14.383 -3.480 1.00 0.00 C ATOM 419 C GLN A 28 -9.180 13.811 -3.327 1.00 0.00 C ATOM 420 O GLN A 28 -10.036 14.034 -4.179 1.00 0.00 O ATOM 421 CB GLN A 28 -6.791 13.341 -4.045 1.00 0.00 C ATOM 422 CG GLN A 28 -7.216 12.846 -5.433 1.00 0.00 C ATOM 423 CD GLN A 28 -6.204 11.855 -5.996 1.00 0.00 C ATOM 424 OE1 GLN A 28 -6.120 10.719 -5.538 1.00 0.00 O ATOM 425 NE2 GLN A 28 -5.423 12.267 -6.991 1.00 0.00 N ATOM 0 H GLN A 28 -6.373 14.474 -1.932 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.837 15.210 -4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.793 13.776 -4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.729 12.494 -3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.196 12.373 -5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.315 13.694 -6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.515 13.217 -7.352 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.732 11.633 -7.393 1.00 0.00 H new ATOM 434 N TYR A 29 -9.406 13.075 -2.237 1.00 0.00 N ATOM 435 CA TYR A 29 -10.697 12.489 -1.891 1.00 0.00 C ATOM 436 C TYR A 29 -11.291 13.189 -0.661 1.00 0.00 C ATOM 437 O TYR A 29 -12.089 12.605 0.069 1.00 0.00 O ATOM 438 CB TYR A 29 -10.531 10.967 -1.702 1.00 0.00 C ATOM 439 CG TYR A 29 -11.398 10.138 -2.625 1.00 0.00 C ATOM 440 CD1 TYR A 29 -12.790 10.107 -2.425 1.00 0.00 C ATOM 441 CD2 TYR A 29 -10.827 9.427 -3.698 1.00 0.00 C ATOM 442 CE1 TYR A 29 -13.611 9.379 -3.303 1.00 0.00 C ATOM 443 CE2 TYR A 29 -11.645 8.662 -4.547 1.00 0.00 C ATOM 444 CZ TYR A 29 -13.038 8.659 -4.364 1.00 0.00 C ATOM 445 OH TYR A 29 -13.834 7.903 -5.167 1.00 0.00 O ATOM 0 H TYR A 29 -8.676 12.866 -1.555 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.411 12.641 -2.701 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.486 10.702 -1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.768 10.711 -0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.228 10.643 -1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.761 9.470 -3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -14.682 9.373 -3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.203 8.077 -5.340 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.400 7.042 -5.340 1.00 0.00 H new ATOM 455 N GLY A 30 -10.918 14.449 -0.424 1.00 0.00 N ATOM 456 CA GLY A 30 -11.253 15.136 0.811 1.00 0.00 C ATOM 457 C GLY A 30 -10.390 14.609 1.959 1.00 0.00 C ATOM 458 O GLY A 30 -9.268 14.156 1.735 1.00 0.00 O ATOM 0 H GLY A 30 -10.379 15.012 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.098 16.208 0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.308 14.990 1.043 1.00 0.00 H new ATOM 462 N ARG A 31 -10.906 14.693 3.190 1.00 0.00 N ATOM 463 CA ARG A 31 -10.212 14.313 4.414 1.00 0.00 C ATOM 464 C ARG A 31 -10.981 13.160 5.059 1.00 0.00 C ATOM 465 O ARG A 31 -12.159 13.328 5.372 1.00 0.00 O ATOM 466 CB ARG A 31 -10.171 15.530 5.348 1.00 0.00 C ATOM 467 CG ARG A 31 -9.282 15.293 6.578 1.00 0.00 C ATOM 468 CD ARG A 31 -9.573 16.333 7.666 1.00 0.00 C ATOM 469 NE ARG A 31 -9.413 17.706 7.165 1.00 0.00 N ATOM 470 CZ ARG A 31 -9.784 18.807 7.833 1.00 0.00 C ATOM 471 NH1 ARG A 31 -10.286 18.711 9.069 1.00 0.00 N ATOM 472 NH2 ARG A 31 -9.651 20.006 7.256 1.00 0.00 N ATOM 0 H ARG A 31 -11.850 15.040 3.362 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.191 13.992 4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.802 16.395 4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.183 15.768 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.455 14.291 6.970 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.232 15.345 6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.589 16.197 8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.902 16.174 8.510 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.990 17.829 6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.388 17.796 9.508 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.567 19.553 9.572 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.269 20.079 6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.931 20.848 7.759 1.00 0.00 H new ATOM 486 N LEU A 32 -10.340 12.002 5.251 1.00 0.00 N ATOM 487 CA LEU A 32 -10.986 10.802 5.773 1.00 0.00 C ATOM 488 C LEU A 32 -10.329 10.320 7.059 1.00 0.00 C ATOM 489 O LEU A 32 -9.159 10.599 7.323 1.00 0.00 O ATOM 490 CB LEU A 32 -10.962 9.687 4.725 1.00 0.00 C ATOM 491 CG LEU A 32 -11.563 10.158 3.393 1.00 0.00 C ATOM 492 CD1 LEU A 32 -10.456 10.522 2.403 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.425 9.053 2.788 1.00 0.00 C ATOM 0 H LEU A 32 -9.349 11.875 5.045 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.020 11.061 6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.935 9.357 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.520 8.827 5.094 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.175 11.039 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.901 10.853 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.846 11.324 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.831 9.648 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.847 9.397 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.812 8.169 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.232 8.803 3.476 1.00 0.00 H new ATOM 505 N THR A 33 -11.104 9.565 7.843 1.00 0.00 N ATOM 506 CA THR A 33 -10.688 8.987 9.107 1.00 0.00 C ATOM 507 C THR A 33 -10.276 7.543 8.837 1.00 0.00 C ATOM 508 O THR A 33 -11.129 6.654 8.779 1.00 0.00 O ATOM 509 CB THR A 33 -11.849 9.084 10.110 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.248 10.435 10.226 1.00 0.00 O ATOM 511 CG2 THR A 33 -11.445 8.586 11.501 1.00 0.00 C ATOM 0 H THR A 33 -12.068 9.337 7.600 1.00 0.00 H new ATOM 0 HA THR A 33 -9.841 9.519 9.541 1.00 0.00 H new ATOM 0 HB THR A 33 -12.661 8.459 9.738 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.989 10.504 10.863 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.294 8.672 12.179 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.135 7.543 11.438 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.618 9.188 11.877 1.00 0.00 H new ATOM 519 N PHE A 34 -8.977 7.309 8.645 1.00 0.00 N ATOM 520 CA PHE A 34 -8.428 5.961 8.593 1.00 0.00 C ATOM 521 C PHE A 34 -9.005 5.125 9.735 1.00 0.00 C ATOM 522 O PHE A 34 -9.049 5.580 10.876 1.00 0.00 O ATOM 523 CB PHE A 34 -6.902 6.012 8.685 1.00 0.00 C ATOM 524 CG PHE A 34 -6.243 4.699 9.054 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.094 4.344 10.408 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.725 3.856 8.057 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.407 3.172 10.762 1.00 0.00 C ATOM 528 CE2 PHE A 34 -4.998 2.710 8.416 1.00 0.00 C ATOM 529 CZ PHE A 34 -4.846 2.359 9.768 1.00 0.00 C ATOM 0 H PHE A 34 -8.283 8.046 8.522 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.701 5.498 7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.505 6.344 7.726 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.622 6.763 9.423 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.510 4.976 11.178 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.886 4.089 7.015 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.311 2.897 11.802 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.553 2.094 7.648 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.300 1.468 10.040 1.00 0.00 H new ATOM 539 N ASN A 35 -9.466 3.921 9.405 1.00 0.00 N ATOM 540 CA ASN A 35 -9.935 2.947 10.380 1.00 0.00 C ATOM 541 C ASN A 35 -8.830 1.913 10.601 1.00 0.00 C ATOM 542 O ASN A 35 -8.254 1.850 11.685 1.00 0.00 O ATOM 543 CB ASN A 35 -11.243 2.279 9.921 1.00 0.00 C ATOM 544 CG ASN A 35 -12.504 3.129 10.093 1.00 0.00 C ATOM 545 OD1 ASN A 35 -13.551 2.599 10.445 1.00 0.00 O ATOM 546 ND2 ASN A 35 -12.465 4.435 9.836 1.00 0.00 N ATOM 0 H ASN A 35 -9.524 3.593 8.441 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.157 3.451 11.321 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.146 2.011 8.869 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.372 1.350 10.476 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.309 4.999 9.932 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.591 4.871 9.543 1.00 0.00 H new ATOM 553 N LYS A 36 -8.545 1.086 9.588 1.00 0.00 N ATOM 554 CA LYS A 36 -7.640 -0.055 9.707 1.00 0.00 C ATOM 555 C LYS A 36 -7.338 -0.587 8.304 1.00 0.00 C ATOM 556 O LYS A 36 -8.037 -0.239 7.356 1.00 0.00 O ATOM 557 CB LYS A 36 -8.278 -1.122 10.620 1.00 0.00 C ATOM 558 CG LYS A 36 -7.356 -2.312 10.932 1.00 0.00 C ATOM 559 CD LYS A 36 -7.839 -3.130 12.137 1.00 0.00 C ATOM 560 CE LYS A 36 -7.471 -2.463 13.468 1.00 0.00 C ATOM 561 NZ LYS A 36 -7.906 -3.278 14.615 1.00 0.00 N ATOM 0 H LYS A 36 -8.942 1.194 8.655 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.696 0.237 10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.577 -0.652 11.557 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.186 -1.494 10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.296 -2.960 10.058 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.348 -1.945 11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.920 -3.255 12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.401 -4.127 12.098 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.393 -2.312 13.515 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.934 -1.478 13.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.643 -2.800 15.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.938 -3.401 14.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.445 -4.209 14.574 1.00 0.00 H new ATOM 575 N VAL A 37 -6.305 -1.424 8.168 1.00 0.00 N ATOM 576 CA VAL A 37 -5.968 -2.133 6.939 1.00 0.00 C ATOM 577 C VAL A 37 -6.435 -3.578 7.082 1.00 0.00 C ATOM 578 O VAL A 37 -6.302 -4.149 8.165 1.00 0.00 O ATOM 579 CB VAL A 37 -4.449 -2.070 6.718 1.00 0.00 C ATOM 580 CG1 VAL A 37 -4.003 -2.895 5.513 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.007 -0.624 6.494 1.00 0.00 C ATOM 0 H VAL A 37 -5.664 -1.630 8.935 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.458 -1.677 6.079 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.987 -2.483 7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.922 -2.818 5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.278 -3.939 5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.490 -2.518 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.929 -0.593 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.512 -0.221 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.265 -0.025 7.367 1.00 0.00 H new ATOM 591 N ILE A 38 -6.959 -4.170 6.007 1.00 0.00 N ATOM 592 CA ILE A 38 -7.356 -5.575 5.974 1.00 0.00 C ATOM 593 C ILE A 38 -6.917 -6.212 4.655 1.00 0.00 C ATOM 594 O ILE A 38 -6.410 -5.529 3.766 1.00 0.00 O ATOM 595 CB ILE A 38 -8.854 -5.785 6.292 1.00 0.00 C ATOM 596 CG1 ILE A 38 -9.844 -5.324 5.208 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.228 -5.224 7.673 1.00 0.00 C ATOM 598 CD1 ILE A 38 -9.853 -3.820 4.937 1.00 0.00 C ATOM 0 H ILE A 38 -7.120 -3.681 5.127 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.836 -6.095 6.779 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.966 -6.869 6.308 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.610 -5.844 4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -10.848 -5.631 5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.289 -5.391 7.859 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.641 -5.728 8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.019 -4.155 7.700 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.582 -3.595 4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.120 -3.287 5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.863 -3.503 4.609 1.00 0.00 H new ATOM 610 N ARG A 39 -7.075 -7.534 4.557 1.00 0.00 N ATOM 611 CA ARG A 39 -6.651 -8.316 3.403 1.00 0.00 C ATOM 612 C ARG A 39 -7.442 -7.929 2.141 1.00 0.00 C ATOM 613 O ARG A 39 -8.582 -7.481 2.254 1.00 0.00 O ATOM 614 CB ARG A 39 -6.755 -9.829 3.695 1.00 0.00 C ATOM 615 CG ARG A 39 -7.938 -10.241 4.584 1.00 0.00 C ATOM 616 CD ARG A 39 -7.488 -10.410 6.042 1.00 0.00 C ATOM 617 NE ARG A 39 -8.636 -10.590 6.935 1.00 0.00 N ATOM 618 CZ ARG A 39 -8.540 -10.887 8.240 1.00 0.00 C ATOM 619 NH1 ARG A 39 -7.340 -11.020 8.815 1.00 0.00 N ATOM 620 NH2 ARG A 39 -9.652 -11.052 8.964 1.00 0.00 N ATOM 0 H ARG A 39 -7.508 -8.096 5.290 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.603 -8.086 3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.830 -10.362 2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.831 -10.156 4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.723 -9.487 4.526 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.365 -11.175 4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.823 -11.270 6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.916 -9.535 6.352 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.570 -10.482 6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.493 -10.896 8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.272 -11.246 9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.567 -10.952 8.524 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.586 -11.278 9.956 1.00 0.00 H new ATOM 634 N PRO A 40 -6.878 -8.144 0.937 1.00 0.00 N ATOM 635 CA PRO A 40 -5.529 -8.633 0.695 1.00 0.00 C ATOM 636 C PRO A 40 -4.505 -7.539 0.994 1.00 0.00 C ATOM 637 O PRO A 40 -4.834 -6.353 1.021 1.00 0.00 O ATOM 638 CB PRO A 40 -5.504 -9.027 -0.784 1.00 0.00 C ATOM 639 CG PRO A 40 -6.487 -8.042 -1.413 1.00 0.00 C ATOM 640 CD PRO A 40 -7.548 -7.879 -0.324 1.00 0.00 C ATOM 0 HA PRO A 40 -5.274 -9.477 1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.506 -8.931 -1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.816 -10.061 -0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.009 -7.093 -1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.913 -8.431 -2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.969 -6.873 -0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.375 -8.572 -0.479 1.00 0.00 H new ATOM 648 N CYS A 41 -3.263 -7.953 1.252 1.00 0.00 N ATOM 649 CA CYS A 41 -2.138 -7.072 1.494 1.00 0.00 C ATOM 650 C CYS A 41 -0.938 -7.721 0.817 1.00 0.00 C ATOM 651 O CYS A 41 -0.302 -8.582 1.418 1.00 0.00 O ATOM 652 CB CYS A 41 -1.893 -6.907 2.998 1.00 0.00 C ATOM 653 SG CYS A 41 -3.313 -6.178 3.848 1.00 0.00 S ATOM 0 H CYS A 41 -3.014 -8.941 1.298 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.323 -6.074 1.096 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.670 -7.880 3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.017 -6.278 3.154 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.233 -5.880 2.979 1.00 0.00 H new ATOM 659 N MET A 42 -0.679 -7.378 -0.447 1.00 0.00 N ATOM 660 CA MET A 42 0.276 -8.067 -1.306 1.00 0.00 C ATOM 661 C MET A 42 1.539 -7.218 -1.484 1.00 0.00 C ATOM 662 O MET A 42 1.435 -6.050 -1.863 1.00 0.00 O ATOM 663 CB MET A 42 -0.396 -8.367 -2.658 1.00 0.00 C ATOM 664 CG MET A 42 -0.299 -9.847 -3.026 1.00 0.00 C ATOM 665 SD MET A 42 -0.877 -10.242 -4.696 1.00 0.00 S ATOM 666 CE MET A 42 -0.630 -12.030 -4.690 1.00 0.00 C ATOM 0 H MET A 42 -1.141 -6.594 -0.909 1.00 0.00 H new ATOM 0 HA MET A 42 0.579 -9.008 -0.847 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.444 -8.071 -2.616 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.073 -7.767 -3.438 1.00 0.00 H new ATOM 0 HG2 MET A 42 0.739 -10.166 -2.929 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.879 -10.426 -2.307 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.937 -12.443 -5.651 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.424 -12.251 -4.520 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.227 -12.477 -3.895 1.00 0.00 H new ATOM 676 N LYS A 43 2.718 -7.800 -1.230 1.00 0.00 N ATOM 677 CA LYS A 43 4.008 -7.147 -1.445 1.00 0.00 C ATOM 678 C LYS A 43 4.653 -7.672 -2.728 1.00 0.00 C ATOM 679 O LYS A 43 4.525 -8.860 -3.019 1.00 0.00 O ATOM 680 CB LYS A 43 4.939 -7.425 -0.252 1.00 0.00 C ATOM 681 CG LYS A 43 6.249 -6.617 -0.319 1.00 0.00 C ATOM 682 CD LYS A 43 7.335 -7.126 0.639 1.00 0.00 C ATOM 683 CE LYS A 43 6.816 -7.371 2.057 1.00 0.00 C ATOM 684 NZ LYS A 43 7.922 -7.565 3.011 1.00 0.00 N ATOM 0 H LYS A 43 2.800 -8.749 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 43 3.848 -6.073 -1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.417 -7.186 0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.174 -8.489 -0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.633 -6.647 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.034 -5.573 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.753 -8.053 0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.148 -6.401 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.206 -6.525 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.171 -8.250 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.535 -7.729 3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.490 -8.387 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.523 -6.716 3.023 1.00 0.00 H new ATOM 698 N LYS A 44 5.376 -6.809 -3.456 1.00 0.00 N ATOM 699 CA LYS A 44 6.267 -7.225 -4.538 1.00 0.00 C ATOM 700 C LYS A 44 7.460 -6.268 -4.640 1.00 0.00 C ATOM 701 O LYS A 44 7.292 -5.062 -4.479 1.00 0.00 O ATOM 702 CB LYS A 44 5.482 -7.294 -5.852 1.00 0.00 C ATOM 703 CG LYS A 44 6.263 -7.747 -7.094 1.00 0.00 C ATOM 704 CD LYS A 44 6.765 -9.193 -6.980 1.00 0.00 C ATOM 705 CE LYS A 44 7.618 -9.593 -8.189 1.00 0.00 C ATOM 706 NZ LYS A 44 6.846 -9.561 -9.443 1.00 0.00 N ATOM 0 H LYS A 44 5.356 -5.800 -3.307 1.00 0.00 H new ATOM 0 HA LYS A 44 6.662 -8.219 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.641 -7.973 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.065 -6.307 -6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.625 -7.656 -7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.113 -7.082 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.351 -9.304 -6.068 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.914 -9.868 -6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.470 -8.918 -8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.018 -10.595 -8.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.205 -10.292 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.843 -9.742 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.945 -8.626 -9.888 1.00 0.00 H new ATOM 720 N THR A 45 8.655 -6.793 -4.921 1.00 0.00 N ATOM 721 CA THR A 45 9.831 -5.993 -5.252 1.00 0.00 C ATOM 722 C THR A 45 9.557 -5.122 -6.482 1.00 0.00 C ATOM 723 O THR A 45 9.034 -5.615 -7.478 1.00 0.00 O ATOM 724 CB THR A 45 11.031 -6.915 -5.503 1.00 0.00 C ATOM 725 OG1 THR A 45 11.222 -7.754 -4.386 1.00 0.00 O ATOM 726 CG2 THR A 45 12.322 -6.123 -5.717 1.00 0.00 C ATOM 0 H THR A 45 8.833 -7.797 -4.924 1.00 0.00 H new ATOM 0 HA THR A 45 10.060 -5.335 -4.413 1.00 0.00 H new ATOM 0 HB THR A 45 10.814 -7.492 -6.402 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.988 -8.344 -4.547 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.148 -6.813 -5.891 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.208 -5.468 -6.581 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.532 -5.523 -4.832 1.00 0.00 H new ATOM 734 N ILE A 46 9.940 -3.844 -6.422 1.00 0.00 N ATOM 735 CA ILE A 46 9.748 -2.873 -7.487 1.00 0.00 C ATOM 736 C ILE A 46 11.119 -2.432 -7.998 1.00 0.00 C ATOM 737 O ILE A 46 12.016 -2.084 -7.224 1.00 0.00 O ATOM 738 CB ILE A 46 8.810 -1.742 -7.010 1.00 0.00 C ATOM 739 CG1 ILE A 46 7.621 -1.554 -7.967 1.00 0.00 C ATOM 740 CG2 ILE A 46 9.505 -0.391 -6.794 1.00 0.00 C ATOM 741 CD1 ILE A 46 6.694 -2.775 -7.998 1.00 0.00 C ATOM 0 H ILE A 46 10.406 -3.451 -5.604 1.00 0.00 H new ATOM 0 HA ILE A 46 9.234 -3.302 -8.347 1.00 0.00 H new ATOM 0 HB ILE A 46 8.456 -2.076 -6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.050 -0.676 -7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.995 -1.360 -8.972 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.774 0.345 -6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.283 -0.499 -6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.953 -0.058 -7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.871 -2.590 -8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.255 -3.649 -8.328 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.296 -2.955 -6.999 1.00 0.00 H new ATOM 753 N TYR A 47 11.308 -2.520 -9.314 1.00 0.00 N ATOM 754 CA TYR A 47 12.600 -2.353 -9.944 1.00 0.00 C ATOM 755 C TYR A 47 12.425 -2.059 -11.428 1.00 0.00 C ATOM 756 O TYR A 47 11.296 -1.973 -11.910 1.00 0.00 O ATOM 757 CB TYR A 47 13.452 -3.597 -9.691 1.00 0.00 C ATOM 758 CG TYR A 47 13.124 -4.847 -10.479 1.00 0.00 C ATOM 759 CD1 TYR A 47 12.073 -5.683 -10.061 1.00 0.00 C ATOM 760 CD2 TYR A 47 14.025 -5.297 -11.464 1.00 0.00 C ATOM 761 CE1 TYR A 47 11.916 -6.956 -10.636 1.00 0.00 C ATOM 762 CE2 TYR A 47 13.871 -6.571 -12.033 1.00 0.00 C ATOM 763 CZ TYR A 47 12.809 -7.396 -11.629 1.00 0.00 C ATOM 764 OH TYR A 47 12.686 -8.645 -12.159 1.00 0.00 O ATOM 0 H TYR A 47 10.554 -2.712 -9.973 1.00 0.00 H new ATOM 0 HA TYR A 47 13.122 -1.500 -9.511 1.00 0.00 H new ATOM 0 HB2 TYR A 47 14.492 -3.338 -9.891 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.383 -3.841 -8.631 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.386 -5.347 -9.298 1.00 0.00 H new ATOM 0 HD2 TYR A 47 14.837 -4.660 -11.782 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.108 -7.597 -10.315 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.569 -6.916 -12.781 1.00 0.00 H new ATOM 0 HH TYR A 47 13.384 -8.785 -12.833 1.00 0.00 H new ATOM 774 N GLU A 48 13.549 -1.885 -12.127 1.00 0.00 N ATOM 775 CA GLU A 48 13.569 -1.617 -13.555 1.00 0.00 C ATOM 776 C GLU A 48 13.441 -2.941 -14.327 1.00 0.00 C ATOM 777 O GLU A 48 12.732 -3.849 -13.903 1.00 0.00 O ATOM 778 CB GLU A 48 14.831 -0.796 -13.881 1.00 0.00 C ATOM 779 CG GLU A 48 14.620 0.144 -15.078 1.00 0.00 C ATOM 780 CD GLU A 48 15.912 0.873 -15.427 1.00 0.00 C ATOM 781 OE1 GLU A 48 16.736 0.245 -16.125 1.00 0.00 O ATOM 782 OE2 GLU A 48 16.058 2.028 -14.974 1.00 0.00 O ATOM 0 H GLU A 48 14.477 -1.928 -11.707 1.00 0.00 H new ATOM 0 HA GLU A 48 12.718 -1.014 -13.872 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.117 -0.210 -13.007 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.658 -1.473 -14.095 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.276 -0.428 -15.939 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.840 0.869 -14.844 1.00 0.00 H new ATOM 789 N ASN A 49 14.127 -3.053 -15.466 1.00 0.00 N ATOM 790 CA ASN A 49 14.072 -4.215 -16.349 1.00 0.00 C ATOM 791 C ASN A 49 15.221 -4.141 -17.353 1.00 0.00 C ATOM 792 O ASN A 49 15.956 -5.105 -17.544 1.00 0.00 O ATOM 793 CB ASN A 49 12.724 -4.261 -17.079 1.00 0.00 C ATOM 794 CG ASN A 49 12.636 -5.458 -18.024 1.00 0.00 C ATOM 795 OD1 ASN A 49 13.102 -6.547 -17.709 1.00 0.00 O ATOM 796 ND2 ASN A 49 12.034 -5.275 -19.196 1.00 0.00 N ATOM 0 H ASN A 49 14.750 -2.320 -15.806 1.00 0.00 H new ATOM 0 HA ASN A 49 14.172 -5.125 -15.758 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.916 -4.313 -16.349 1.00 0.00 H new ATOM 0 HB3 ASN A 49 12.584 -3.340 -17.644 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.953 -6.050 -19.854 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.654 -4.360 -19.437 1.00 0.00 H new ATOM 803 N GLU A 50 15.386 -2.967 -17.976 1.00 0.00 N ATOM 804 CA GLU A 50 16.543 -2.663 -18.806 1.00 0.00 C ATOM 805 C GLU A 50 17.835 -2.910 -18.014 1.00 0.00 C ATOM 806 O GLU A 50 17.832 -2.872 -16.782 1.00 0.00 O ATOM 807 CB GLU A 50 16.425 -1.213 -19.306 1.00 0.00 C ATOM 808 CG GLU A 50 17.511 -0.796 -20.307 1.00 0.00 C ATOM 809 CD GLU A 50 17.289 0.637 -20.781 1.00 0.00 C ATOM 810 OE1 GLU A 50 16.467 0.806 -21.707 1.00 0.00 O ATOM 811 OE2 GLU A 50 17.938 1.533 -20.200 1.00 0.00 O ATOM 0 H GLU A 50 14.714 -2.202 -17.914 1.00 0.00 H new ATOM 0 HA GLU A 50 16.577 -3.318 -19.676 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.449 -1.081 -19.772 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.462 -0.542 -18.448 1.00 0.00 H new ATOM 0 HG2 GLU A 50 18.493 -0.882 -19.842 1.00 0.00 H new ATOM 0 HG3 GLU A 50 17.503 -1.472 -21.162 1.00 0.00 H new ATOM 818 N GLY A 51 18.937 -3.136 -18.736 1.00 0.00 N ATOM 819 CA GLY A 51 20.239 -3.595 -18.254 1.00 0.00 C ATOM 820 C GLY A 51 20.818 -2.910 -17.011 1.00 0.00 C ATOM 821 O GLY A 51 21.759 -3.437 -16.426 1.00 0.00 O ATOM 0 H GLY A 51 18.940 -2.992 -19.746 1.00 0.00 H new ATOM 0 HA2 GLY A 51 20.162 -4.662 -18.044 1.00 0.00 H new ATOM 0 HA3 GLY A 51 20.957 -3.480 -19.066 1.00 0.00 H new ATOM 825 N PHE A 52 20.276 -1.764 -16.588 1.00 0.00 N ATOM 826 CA PHE A 52 20.598 -1.166 -15.300 1.00 0.00 C ATOM 827 C PHE A 52 20.353 -2.197 -14.189 1.00 0.00 C ATOM 828 O PHE A 52 21.148 -2.308 -13.263 1.00 0.00 O ATOM 829 CB PHE A 52 19.749 0.095 -15.098 1.00 0.00 C ATOM 830 CG PHE A 52 20.361 1.114 -14.163 1.00 0.00 C ATOM 831 CD1 PHE A 52 21.352 1.990 -14.645 1.00 0.00 C ATOM 832 CD2 PHE A 52 19.919 1.223 -12.832 1.00 0.00 C ATOM 833 CE1 PHE A 52 21.881 2.986 -13.807 1.00 0.00 C ATOM 834 CE2 PHE A 52 20.446 2.221 -11.995 1.00 0.00 C ATOM 835 CZ PHE A 52 21.425 3.106 -12.483 1.00 0.00 C ATOM 0 H PHE A 52 19.601 -1.228 -17.134 1.00 0.00 H new ATOM 0 HA PHE A 52 21.648 -0.874 -15.267 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.580 0.564 -16.067 1.00 0.00 H new ATOM 0 HB3 PHE A 52 18.773 -0.197 -14.710 1.00 0.00 H new ATOM 0 HD1 PHE A 52 21.706 1.896 -15.661 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.174 0.539 -12.453 1.00 0.00 H new ATOM 0 HE1 PHE A 52 22.638 3.660 -14.180 1.00 0.00 H new ATOM 0 HE2 PHE A 52 20.099 2.309 -10.976 1.00 0.00 H new ATOM 0 HZ PHE A 52 21.826 3.877 -11.841 1.00 0.00 H new ATOM 845 N ARG A 53 19.248 -2.947 -14.325 1.00 0.00 N ATOM 846 CA ARG A 53 18.915 -4.161 -13.585 1.00 0.00 C ATOM 847 C ARG A 53 19.364 -4.110 -12.120 1.00 0.00 C ATOM 848 O ARG A 53 20.258 -4.842 -11.701 1.00 0.00 O ATOM 849 CB ARG A 53 19.475 -5.360 -14.375 1.00 0.00 C ATOM 850 CG ARG A 53 18.707 -6.677 -14.190 1.00 0.00 C ATOM 851 CD ARG A 53 18.960 -7.358 -12.839 1.00 0.00 C ATOM 852 NE ARG A 53 18.383 -8.710 -12.811 1.00 0.00 N ATOM 853 CZ ARG A 53 18.915 -9.794 -13.400 1.00 0.00 C ATOM 854 NH1 ARG A 53 20.068 -9.705 -14.071 1.00 0.00 N ATOM 855 NH2 ARG A 53 18.280 -10.966 -13.316 1.00 0.00 N ATOM 0 H ARG A 53 18.522 -2.701 -14.998 1.00 0.00 H new ATOM 0 HA ARG A 53 17.833 -4.267 -13.507 1.00 0.00 H new ATOM 0 HB2 ARG A 53 19.481 -5.106 -15.435 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.512 -5.518 -14.080 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.640 -6.482 -14.293 1.00 0.00 H new ATOM 0 HG3 ARG A 53 18.984 -7.364 -14.990 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.032 -7.413 -12.651 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.527 -6.758 -12.039 1.00 0.00 H new ATOM 0 HE ARG A 53 17.507 -8.835 -12.303 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.551 -8.809 -14.139 1.00 0.00 H new ATOM 0 HH12 ARG A 53 20.465 -10.533 -14.515 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.398 -11.033 -12.808 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.677 -11.794 -13.760 1.00 0.00 H new ATOM 869 N GLU A 54 18.715 -3.243 -11.336 1.00 0.00 N ATOM 870 CA GLU A 54 18.976 -3.030 -9.927 1.00 0.00 C ATOM 871 C GLU A 54 17.624 -2.778 -9.255 1.00 0.00 C ATOM 872 O GLU A 54 16.720 -2.240 -9.898 1.00 0.00 O ATOM 873 CB GLU A 54 19.964 -1.860 -9.766 1.00 0.00 C ATOM 874 CG GLU A 54 20.929 -2.026 -8.584 1.00 0.00 C ATOM 875 CD GLU A 54 20.241 -1.927 -7.227 1.00 0.00 C ATOM 876 OE1 GLU A 54 20.082 -0.781 -6.756 1.00 0.00 O ATOM 877 OE2 GLU A 54 19.881 -3.002 -6.697 1.00 0.00 O ATOM 0 H GLU A 54 17.964 -2.651 -11.690 1.00 0.00 H new ATOM 0 HA GLU A 54 19.444 -3.892 -9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.542 -1.755 -10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.401 -0.936 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.426 -2.993 -8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.705 -1.263 -8.647 1.00 0.00 H new ATOM 884 N ILE A 55 17.469 -3.203 -7.999 1.00 0.00 N ATOM 885 CA ILE A 55 16.223 -3.094 -7.256 1.00 0.00 C ATOM 886 C ILE A 55 16.085 -1.673 -6.719 1.00 0.00 C ATOM 887 O ILE A 55 16.976 -1.188 -6.026 1.00 0.00 O ATOM 888 CB ILE A 55 16.172 -4.161 -6.147 1.00 0.00 C ATOM 889 CG1 ILE A 55 16.075 -5.556 -6.799 1.00 0.00 C ATOM 890 CG2 ILE A 55 14.976 -3.911 -5.214 1.00 0.00 C ATOM 891 CD1 ILE A 55 16.320 -6.701 -5.812 1.00 0.00 C ATOM 0 H ILE A 55 18.221 -3.639 -7.466 1.00 0.00 H new ATOM 0 HA ILE A 55 15.371 -3.284 -7.909 1.00 0.00 H new ATOM 0 HB ILE A 55 17.079 -4.106 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.087 -5.674 -7.244 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.800 -5.622 -7.610 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.955 -4.674 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.072 -2.927 -4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.051 -3.954 -5.789 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.238 -7.655 -6.333 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.318 -6.606 -5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.579 -6.658 -5.014 1.00 0.00 H new ATOM 903 N LYS A 56 14.969 -1.010 -7.033 1.00 0.00 N ATOM 904 CA LYS A 56 14.711 0.346 -6.571 1.00 0.00 C ATOM 905 C LYS A 56 14.019 0.308 -5.210 1.00 0.00 C ATOM 906 O LYS A 56 14.306 1.134 -4.345 1.00 0.00 O ATOM 907 CB LYS A 56 13.886 1.119 -7.616 1.00 0.00 C ATOM 908 CG LYS A 56 14.591 2.432 -7.985 1.00 0.00 C ATOM 909 CD LYS A 56 13.845 3.212 -9.079 1.00 0.00 C ATOM 910 CE LYS A 56 12.535 3.849 -8.597 1.00 0.00 C ATOM 911 NZ LYS A 56 12.767 4.877 -7.567 1.00 0.00 N ATOM 0 H LYS A 56 14.225 -1.400 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 56 15.656 0.875 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.751 0.507 -8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.892 1.330 -7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.680 3.055 -7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.604 2.214 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.499 3.994 -9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.628 2.539 -9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.016 4.296 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.882 3.074 -8.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.889 5.409 -7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.065 4.420 -6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.512 5.528 -7.888 1.00 0.00 H new ATOM 925 N GLY A 57 13.088 -0.629 -5.012 1.00 0.00 N ATOM 926 CA GLY A 57 12.269 -0.638 -3.818 1.00 0.00 C ATOM 927 C GLY A 57 11.325 -1.828 -3.788 1.00 0.00 C ATOM 928 O GLY A 57 11.605 -2.867 -4.383 1.00 0.00 O ATOM 0 H GLY A 57 12.890 -1.385 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.911 -0.662 -2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.691 0.285 -3.767 1.00 0.00 H new ATOM 932 N TYR A 58 10.188 -1.663 -3.110 1.00 0.00 N ATOM 933 CA TYR A 58 9.110 -2.630 -3.048 1.00 0.00 C ATOM 934 C TYR A 58 7.796 -1.858 -3.044 1.00 0.00 C ATOM 935 O TYR A 58 7.771 -0.715 -2.581 1.00 0.00 O ATOM 936 CB TYR A 58 9.224 -3.496 -1.786 1.00 0.00 C ATOM 937 CG TYR A 58 10.639 -3.790 -1.313 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.316 -2.850 -0.514 1.00 0.00 C ATOM 939 CD2 TYR A 58 11.324 -4.932 -1.768 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.682 -3.015 -0.225 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.691 -5.095 -1.482 1.00 0.00 C ATOM 942 CZ TYR A 58 13.375 -4.127 -0.730 1.00 0.00 C ATOM 943 OH TYR A 58 14.706 -4.280 -0.485 1.00 0.00 O ATOM 0 H TYR A 58 9.993 -0.819 -2.572 1.00 0.00 H new ATOM 0 HA TYR A 58 9.159 -3.299 -3.907 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.686 -3.000 -0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.718 -4.444 -1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.783 -1.997 -0.121 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.799 -5.684 -2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.198 -2.288 0.384 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.216 -5.967 -1.842 1.00 0.00 H new ATOM 0 HH TYR A 58 15.081 -3.430 -0.175 1.00 0.00 H new ATOM 953 N GLU A 59 6.726 -2.484 -3.536 1.00 0.00 N ATOM 954 CA GLU A 59 5.363 -1.994 -3.439 1.00 0.00 C ATOM 955 C GLU A 59 4.587 -2.883 -2.475 1.00 0.00 C ATOM 956 O GLU A 59 4.941 -4.051 -2.288 1.00 0.00 O ATOM 957 CB GLU A 59 4.693 -1.919 -4.818 1.00 0.00 C ATOM 958 CG GLU A 59 4.126 -3.264 -5.297 1.00 0.00 C ATOM 959 CD GLU A 59 3.593 -3.204 -6.726 1.00 0.00 C ATOM 960 OE1 GLU A 59 3.134 -2.114 -7.128 1.00 0.00 O ATOM 961 OE2 GLU A 59 3.651 -4.259 -7.394 1.00 0.00 O ATOM 0 H GLU A 59 6.794 -3.375 -4.028 1.00 0.00 H new ATOM 0 HA GLU A 59 5.371 -0.976 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.887 -1.186 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.419 -1.559 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.905 -4.024 -5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.324 -3.575 -4.627 1.00 0.00 H new ATOM 968 N TYR A 60 3.527 -2.319 -1.899 1.00 0.00 N ATOM 969 CA TYR A 60 2.608 -2.953 -0.982 1.00 0.00 C ATOM 970 C TYR A 60 1.209 -2.487 -1.388 1.00 0.00 C ATOM 971 O TYR A 60 0.831 -1.347 -1.103 1.00 0.00 O ATOM 972 CB TYR A 60 2.918 -2.532 0.458 1.00 0.00 C ATOM 973 CG TYR A 60 4.384 -2.540 0.859 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.215 -1.462 0.498 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.912 -3.594 1.626 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.579 -1.477 0.829 1.00 0.00 C ATOM 977 CE2 TYR A 60 6.257 -3.562 2.034 1.00 0.00 C ATOM 978 CZ TYR A 60 7.098 -2.523 1.609 1.00 0.00 C ATOM 979 OH TYR A 60 8.411 -2.532 1.971 1.00 0.00 O ATOM 0 H TYR A 60 3.280 -1.346 -2.078 1.00 0.00 H new ATOM 0 HA TYR A 60 2.689 -4.039 -1.024 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.526 -1.527 0.613 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.375 -3.193 1.133 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.801 -0.620 -0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.284 -4.428 1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.228 -0.686 0.484 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.644 -4.339 2.676 1.00 0.00 H new ATOM 0 HH TYR A 60 8.596 -3.329 2.510 1.00 0.00 H new ATOM 989 N GLN A 61 0.459 -3.348 -2.073 1.00 0.00 N ATOM 990 CA GLN A 61 -0.922 -3.084 -2.439 1.00 0.00 C ATOM 991 C GLN A 61 -1.834 -3.669 -1.363 1.00 0.00 C ATOM 992 O GLN A 61 -1.677 -4.834 -1.003 1.00 0.00 O ATOM 993 CB GLN A 61 -1.210 -3.613 -3.849 1.00 0.00 C ATOM 994 CG GLN A 61 -0.991 -5.121 -4.039 1.00 0.00 C ATOM 995 CD GLN A 61 -2.255 -5.798 -4.558 1.00 0.00 C ATOM 996 OE1 GLN A 61 -3.172 -6.083 -3.795 1.00 0.00 O ATOM 997 NE2 GLN A 61 -2.336 -6.038 -5.863 1.00 0.00 N ATOM 0 H GLN A 61 0.800 -4.255 -2.390 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.117 -2.012 -2.483 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.243 -3.377 -4.104 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.577 -3.078 -4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.172 -5.287 -4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.697 -5.571 -3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.559 -5.791 -6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.175 -6.469 -6.251 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.744 -2.868 -0.799 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.536 -3.296 0.343 1.00 0.00 C ATOM 1008 C LEU A 62 -4.889 -2.592 0.399 1.00 0.00 C ATOM 1009 O LEU A 62 -5.038 -1.482 -0.113 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.716 -3.165 1.642 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.972 -1.831 1.864 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -2.872 -0.749 2.467 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.797 -2.081 2.819 1.00 0.00 C ATOM 0 H LEU A 62 -2.945 -1.921 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.775 -4.353 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.388 -3.324 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.982 -3.971 1.663 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.633 -1.474 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.298 0.168 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.710 -0.557 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.250 -1.086 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.260 -1.148 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.174 -2.458 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.121 -2.815 2.380 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.880 -3.242 1.017 1.00 0.00 N ATOM 1026 CA TYR A 63 -7.188 -2.666 1.260 1.00 0.00 C ATOM 1027 C TYR A 63 -7.123 -1.880 2.569 1.00 0.00 C ATOM 1028 O TYR A 63 -6.856 -2.447 3.630 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.237 -3.784 1.337 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.839 -4.298 0.040 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -8.392 -3.867 -1.227 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.920 -5.195 0.115 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -9.070 -4.270 -2.391 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -10.573 -5.623 -1.053 1.00 0.00 C ATOM 1035 CZ TYR A 63 -10.170 -5.139 -2.303 1.00 0.00 C ATOM 1036 OH TYR A 63 -10.838 -5.526 -3.425 1.00 0.00 O ATOM 0 H TYR A 63 -5.786 -4.196 1.364 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.475 -1.996 0.450 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.783 -4.631 1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.054 -3.430 1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.526 -3.226 -1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.250 -5.557 1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.744 -3.910 -3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.389 -6.328 -0.986 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.570 -6.129 -3.178 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.361 -0.570 2.478 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.429 0.343 3.602 1.00 0.00 C ATOM 1048 C VAL A 64 -8.889 0.745 3.823 1.00 0.00 C ATOM 1049 O VAL A 64 -9.579 1.194 2.906 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.471 1.528 3.385 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.843 2.433 2.204 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -6.364 2.368 4.663 1.00 0.00 C ATOM 0 H VAL A 64 -7.516 -0.107 1.583 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.090 -0.136 4.521 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.508 1.082 3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.117 3.242 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.841 1.849 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.836 2.852 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.683 3.202 4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.349 2.752 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.984 1.748 5.475 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.363 0.549 5.050 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.687 0.935 5.491 1.00 0.00 C ATOM 1064 C TYR A 65 -10.565 2.337 6.084 1.00 0.00 C ATOM 1065 O TYR A 65 -9.748 2.562 6.981 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.196 -0.116 6.492 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.702 -0.277 6.551 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.409 -0.600 5.378 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -13.373 -0.297 7.788 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.798 -0.787 5.415 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -14.749 -0.580 7.836 1.00 0.00 C ATOM 1072 CZ TYR A 65 -15.470 -0.782 6.647 1.00 0.00 C ATOM 1073 OH TYR A 65 -16.828 -0.838 6.672 1.00 0.00 O ATOM 0 H TYR A 65 -8.813 0.102 5.784 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.417 0.970 4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.754 -1.079 6.239 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.836 0.149 7.486 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.878 -0.705 4.443 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.831 -0.095 8.700 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.349 -0.934 4.498 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.253 -0.642 8.789 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.196 -0.042 6.234 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.334 3.290 5.554 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.294 4.688 5.953 1.00 0.00 C ATOM 1085 C ALA A 66 -12.718 5.223 5.925 1.00 0.00 C ATOM 1086 O ALA A 66 -13.436 5.002 4.956 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.385 5.475 5.005 1.00 0.00 C ATOM 0 H ALA A 66 -12.016 3.101 4.819 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.886 4.793 6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.360 6.521 5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.377 5.062 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.770 5.403 3.988 1.00 0.00 H new ATOM 1093 N SER A 67 -13.146 5.880 7.006 1.00 0.00 N ATOM 1094 CA SER A 67 -14.515 6.353 7.178 1.00 0.00 C ATOM 1095 C SER A 67 -15.526 5.225 6.937 1.00 0.00 C ATOM 1096 O SER A 67 -16.591 5.463 6.368 1.00 0.00 O ATOM 1097 CB SER A 67 -14.774 7.555 6.257 1.00 0.00 C ATOM 1098 OG SER A 67 -16.036 8.120 6.543 1.00 0.00 O ATOM 0 H SER A 67 -12.539 6.100 7.796 1.00 0.00 H new ATOM 0 HA SER A 67 -14.646 6.680 8.210 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.993 8.303 6.393 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.736 7.240 5.214 1.00 0.00 H new ATOM 0 HG SER A 67 -16.718 7.416 6.542 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.183 4.003 7.360 1.00 0.00 N ATOM 1105 CA ASP A 68 -15.996 2.803 7.186 1.00 0.00 C ATOM 1106 C ASP A 68 -16.192 2.410 5.709 1.00 0.00 C ATOM 1107 O ASP A 68 -17.022 1.551 5.413 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.331 2.959 7.937 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.021 1.624 8.200 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -17.522 0.900 9.089 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.046 1.363 7.532 1.00 0.00 O ATOM 0 H ASP A 68 -14.305 3.821 7.847 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.450 1.968 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.152 3.463 8.887 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -17.996 3.599 7.357 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.428 2.998 4.779 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.471 2.685 3.356 1.00 0.00 C ATOM 1118 C LYS A 69 -14.177 1.962 2.993 1.00 0.00 C ATOM 1119 O LYS A 69 -13.126 2.227 3.576 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.621 3.963 2.512 1.00 0.00 C ATOM 1121 CG LYS A 69 -17.075 4.350 2.213 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.839 4.803 3.464 1.00 0.00 C ATOM 1123 CE LYS A 69 -19.287 5.190 3.141 1.00 0.00 C ATOM 1124 NZ LYS A 69 -19.363 6.351 2.236 1.00 0.00 N ATOM 0 H LYS A 69 -14.747 3.722 5.008 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.334 2.053 3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.137 4.789 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.091 3.827 1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.088 5.152 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -17.589 3.498 1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.834 4.001 4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.327 5.654 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.795 4.341 2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.816 5.417 4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.347 6.683 2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.760 7.116 2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.035 6.075 1.288 1.00 0.00 H new ATOM 1138 N LEU A 70 -14.272 1.045 2.029 1.00 0.00 N ATOM 1139 CA LEU A 70 -13.188 0.190 1.585 1.00 0.00 C ATOM 1140 C LEU A 70 -12.515 0.876 0.398 1.00 0.00 C ATOM 1141 O LEU A 70 -13.128 1.010 -0.663 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.811 -1.171 1.232 1.00 0.00 C ATOM 1143 CG LEU A 70 -12.850 -2.339 0.954 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.775 -2.024 -0.086 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.188 -2.829 2.244 1.00 0.00 C ATOM 0 H LEU A 70 -15.141 0.877 1.522 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.420 0.024 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.468 -1.463 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.440 -1.035 0.352 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.474 -3.128 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.138 -2.897 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.249 -1.765 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.170 -1.185 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.514 -3.655 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.623 -2.014 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.955 -3.168 2.940 1.00 0.00 H new ATOM 1157 N PHE A 71 -11.267 1.311 0.579 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.414 1.822 -0.485 1.00 0.00 C ATOM 1159 C PHE A 71 -9.210 0.893 -0.623 1.00 0.00 C ATOM 1160 O PHE A 71 -8.906 0.121 0.282 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.959 3.245 -0.149 1.00 0.00 C ATOM 1162 CG PHE A 71 -11.045 4.297 -0.251 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.890 4.557 0.845 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -11.119 5.112 -1.397 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.785 5.640 0.802 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -12.015 6.193 -1.439 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.848 6.458 -0.339 1.00 0.00 C ATOM 0 H PHE A 71 -10.814 1.316 1.493 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.962 1.855 -1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.557 3.254 0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -9.143 3.519 -0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.850 3.924 1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.485 4.905 -2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -13.425 5.844 1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -12.064 6.820 -2.317 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.536 7.290 -0.370 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.512 0.977 -1.753 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.278 0.254 -2.003 1.00 0.00 C ATOM 1179 C ARG A 72 -6.158 1.286 -2.077 1.00 0.00 C ATOM 1180 O ARG A 72 -6.277 2.264 -2.814 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.426 -0.535 -3.307 1.00 0.00 C ATOM 1182 CG ARG A 72 -6.187 -1.373 -3.659 1.00 0.00 C ATOM 1183 CD ARG A 72 -5.677 -1.008 -5.058 1.00 0.00 C ATOM 1184 NE ARG A 72 -4.639 -1.944 -5.504 1.00 0.00 N ATOM 1185 CZ ARG A 72 -3.962 -1.832 -6.654 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -4.157 -0.785 -7.464 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -3.090 -2.790 -6.989 1.00 0.00 N ATOM 0 H ARG A 72 -8.800 1.565 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.048 -0.461 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.290 -1.194 -3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.629 0.160 -4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.402 -1.201 -2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.434 -2.434 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.507 -1.017 -5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.277 0.006 -5.049 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.418 -2.733 -4.897 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.828 -0.060 -7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.635 -0.712 -8.337 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.949 -3.590 -6.372 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.566 -2.720 -7.861 1.00 0.00 H new ATOM 1201 N ALA A 73 -5.084 1.086 -1.313 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.895 1.918 -1.364 1.00 0.00 C ATOM 1203 C ALA A 73 -2.739 1.049 -1.836 1.00 0.00 C ATOM 1204 O ALA A 73 -2.581 -0.074 -1.357 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.607 2.505 0.018 1.00 0.00 C ATOM 0 H ALA A 73 -5.021 0.328 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.037 2.751 -2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.714 3.127 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.454 3.111 0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.448 1.696 0.731 1.00 0.00 H new ATOM 1211 N ASP A 74 -1.941 1.570 -2.769 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.671 0.982 -3.148 1.00 0.00 C ATOM 1213 C ASP A 74 0.421 1.931 -2.693 1.00 0.00 C ATOM 1214 O ASP A 74 0.569 3.022 -3.246 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.619 0.697 -4.646 1.00 0.00 C ATOM 1216 CG ASP A 74 0.723 0.098 -5.059 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.220 -0.773 -4.313 1.00 0.00 O ATOM 1218 OD2 ASP A 74 1.220 0.517 -6.125 1.00 0.00 O ATOM 0 H ASP A 74 -2.167 2.421 -3.284 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.531 0.014 -2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.422 0.011 -4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.791 1.621 -5.199 1.00 0.00 H new ATOM 1223 N ILE A 75 1.138 1.519 -1.650 1.00 0.00 N ATOM 1224 CA ILE A 75 2.260 2.247 -1.080 1.00 0.00 C ATOM 1225 C ILE A 75 3.518 1.630 -1.675 1.00 0.00 C ATOM 1226 O ILE A 75 3.513 0.439 -1.981 1.00 0.00 O ATOM 1227 CB ILE A 75 2.250 2.129 0.459 1.00 0.00 C ATOM 1228 CG1 ILE A 75 0.941 2.671 1.060 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.419 2.914 1.079 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -0.156 1.609 1.184 1.00 0.00 C ATOM 0 H ILE A 75 0.945 0.642 -1.166 1.00 0.00 H new ATOM 0 HA ILE A 75 2.208 3.311 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 75 2.345 1.068 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.147 3.087 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.576 3.489 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.389 2.815 2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.363 2.518 0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.334 3.967 0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.051 2.059 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.390 1.210 0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.191 0.801 1.829 1.00 0.00 H new ATOM 1242 N SER A 76 4.594 2.406 -1.801 1.00 0.00 N ATOM 1243 CA SER A 76 5.896 1.869 -2.140 1.00 0.00 C ATOM 1244 C SER A 76 6.921 2.379 -1.140 1.00 0.00 C ATOM 1245 O SER A 76 6.733 3.448 -0.564 1.00 0.00 O ATOM 1246 CB SER A 76 6.255 2.230 -3.582 1.00 0.00 C ATOM 1247 OG SER A 76 5.300 1.668 -4.463 1.00 0.00 O ATOM 0 H SER A 76 4.581 3.418 -1.670 1.00 0.00 H new ATOM 0 HA SER A 76 5.884 0.781 -2.081 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.281 3.313 -3.701 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.251 1.858 -3.824 1.00 0.00 H new ATOM 0 HG SER A 76 5.612 1.763 -5.387 1.00 0.00 H new ATOM 1253 N GLU A 77 7.985 1.598 -0.940 1.00 0.00 N ATOM 1254 CA GLU A 77 9.183 1.961 -0.201 1.00 0.00 C ATOM 1255 C GLU A 77 10.312 1.906 -1.214 1.00 0.00 C ATOM 1256 O GLU A 77 10.454 0.886 -1.886 1.00 0.00 O ATOM 1257 CB GLU A 77 9.380 1.003 0.983 1.00 0.00 C ATOM 1258 CG GLU A 77 10.519 1.407 1.938 1.00 0.00 C ATOM 1259 CD GLU A 77 11.897 0.836 1.593 1.00 0.00 C ATOM 1260 OE1 GLU A 77 12.037 0.250 0.498 1.00 0.00 O ATOM 1261 OE2 GLU A 77 12.789 0.980 2.454 1.00 0.00 O ATOM 0 H GLU A 77 8.030 0.649 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 77 9.131 2.956 0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.450 0.946 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.581 0.003 0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.589 2.495 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.255 1.089 2.947 1.00 0.00 H new ATOM 1268 N ASP A 78 11.068 2.998 -1.351 1.00 0.00 N ATOM 1269 CA ASP A 78 12.284 2.987 -2.149 1.00 0.00 C ATOM 1270 C ASP A 78 13.408 2.549 -1.221 1.00 0.00 C ATOM 1271 O ASP A 78 13.591 3.151 -0.166 1.00 0.00 O ATOM 1272 CB ASP A 78 12.557 4.360 -2.770 1.00 0.00 C ATOM 1273 CG ASP A 78 13.817 4.320 -3.634 1.00 0.00 C ATOM 1274 OD1 ASP A 78 14.913 4.198 -3.045 1.00 0.00 O ATOM 1275 OD2 ASP A 78 13.659 4.396 -4.872 1.00 0.00 O ATOM 0 H ASP A 78 10.855 3.897 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 78 12.194 2.299 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.704 4.667 -3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.673 5.104 -1.982 1.00 0.00 H new ATOM 1280 N TYR A 79 14.142 1.505 -1.602 1.00 0.00 N ATOM 1281 CA TYR A 79 15.151 0.879 -0.767 1.00 0.00 C ATOM 1282 C TYR A 79 16.324 1.830 -0.536 1.00 0.00 C ATOM 1283 O TYR A 79 16.791 1.979 0.590 1.00 0.00 O ATOM 1284 CB TYR A 79 15.596 -0.428 -1.436 1.00 0.00 C ATOM 1285 CG TYR A 79 16.694 -1.182 -0.712 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.524 -1.564 0.632 1.00 0.00 C ATOM 1287 CD2 TYR A 79 17.870 -1.543 -1.398 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.519 -2.311 1.282 1.00 0.00 C ATOM 1289 CE2 TYR A 79 18.871 -2.279 -0.740 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.696 -2.663 0.600 1.00 0.00 C ATOM 1291 OH TYR A 79 19.657 -3.383 1.240 1.00 0.00 O ATOM 0 H TYR A 79 14.046 1.067 -2.518 1.00 0.00 H new ATOM 0 HA TYR A 79 14.737 0.649 0.215 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.729 -1.082 -1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 79 15.937 -0.203 -2.446 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.627 -1.282 1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.003 -1.254 -2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 79 17.380 -2.616 2.309 1.00 0.00 H new ATOM 0 HE2 TYR A 79 19.775 -2.549 -1.265 1.00 0.00 H new ATOM 0 HH TYR A 79 20.406 -3.544 0.629 1.00 0.00 H new ATOM 1301 N LYS A 80 16.793 2.478 -1.604 1.00 0.00 N ATOM 1302 CA LYS A 80 17.941 3.371 -1.551 1.00 0.00 C ATOM 1303 C LYS A 80 17.623 4.600 -0.693 1.00 0.00 C ATOM 1304 O LYS A 80 18.445 5.022 0.116 1.00 0.00 O ATOM 1305 CB LYS A 80 18.370 3.723 -2.984 1.00 0.00 C ATOM 1306 CG LYS A 80 19.753 4.388 -3.078 1.00 0.00 C ATOM 1307 CD LYS A 80 19.694 5.918 -2.967 1.00 0.00 C ATOM 1308 CE LYS A 80 21.099 6.509 -3.129 1.00 0.00 C ATOM 1309 NZ LYS A 80 21.072 7.982 -3.079 1.00 0.00 N ATOM 0 H LYS A 80 16.381 2.394 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 80 18.786 2.879 -1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 80 18.374 2.813 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 80 17.627 4.390 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 80 20.392 3.997 -2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 80 20.217 4.116 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 80 19.030 6.321 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 80 19.279 6.205 -2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 80 21.748 6.129 -2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 80 21.525 6.183 -4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 22.038 8.351 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.471 8.344 -3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 20.688 8.291 -2.163 1.00 0.00 H new ATOM 1323 N THR A 81 16.432 5.179 -0.865 1.00 0.00 N ATOM 1324 CA THR A 81 15.977 6.299 -0.051 1.00 0.00 C ATOM 1325 C THR A 81 15.708 5.813 1.371 1.00 0.00 C ATOM 1326 O THR A 81 15.939 6.533 2.338 1.00 0.00 O ATOM 1327 CB THR A 81 14.699 6.893 -0.662 1.00 0.00 C ATOM 1328 OG1 THR A 81 14.820 6.964 -2.068 1.00 0.00 O ATOM 1329 CG2 THR A 81 14.404 8.293 -0.118 1.00 0.00 C ATOM 0 H THR A 81 15.760 4.882 -1.572 1.00 0.00 H new ATOM 0 HA THR A 81 16.745 7.072 -0.024 1.00 0.00 H new ATOM 0 HB THR A 81 13.874 6.235 -0.387 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.000 7.342 -2.448 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.492 8.677 -0.576 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.274 8.243 0.963 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.235 8.957 -0.353 1.00 0.00 H new ATOM 1337 N ARG A 82 15.174 4.595 1.474 1.00 0.00 N ATOM 1338 CA ARG A 82 14.707 3.984 2.700 1.00 0.00 C ATOM 1339 C ARG A 82 13.588 4.847 3.285 1.00 0.00 C ATOM 1340 O ARG A 82 13.582 5.196 4.464 1.00 0.00 O ATOM 1341 CB ARG A 82 15.902 3.713 3.626 1.00 0.00 C ATOM 1342 CG ARG A 82 15.740 2.417 4.424 1.00 0.00 C ATOM 1343 CD ARG A 82 14.693 2.546 5.533 1.00 0.00 C ATOM 1344 NE ARG A 82 14.706 1.370 6.413 1.00 0.00 N ATOM 1345 CZ ARG A 82 14.126 1.316 7.619 1.00 0.00 C ATOM 1346 NH1 ARG A 82 13.440 2.365 8.088 1.00 0.00 N ATOM 1347 NH2 ARG A 82 14.238 0.206 8.356 1.00 0.00 N ATOM 0 H ARG A 82 15.054 3.988 0.663 1.00 0.00 H new ATOM 0 HA ARG A 82 14.260 3.004 2.533 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.814 3.659 3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.021 4.549 4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.454 1.610 3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.699 2.141 4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.888 3.444 6.119 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.703 2.662 5.091 1.00 0.00 H new ATOM 0 HE ARG A 82 15.191 0.536 6.082 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.356 3.212 7.526 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.001 2.317 9.007 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.763 -0.593 7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.799 0.158 9.275 1.00 0.00 H new ATOM 1361 N GLY A 83 12.628 5.184 2.420 1.00 0.00 N ATOM 1362 CA GLY A 83 11.472 6.001 2.743 1.00 0.00 C ATOM 1363 C GLY A 83 10.304 5.558 1.871 1.00 0.00 C ATOM 1364 O GLY A 83 10.525 4.973 0.805 1.00 0.00 O ATOM 0 H GLY A 83 12.641 4.882 1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.218 5.896 3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.694 7.054 2.572 1.00 0.00 H new ATOM 1368 N ARG A 84 9.076 5.796 2.348 1.00 0.00 N ATOM 1369 CA ARG A 84 7.858 5.344 1.696 1.00 0.00 C ATOM 1370 C ARG A 84 7.159 6.472 0.954 1.00 0.00 C ATOM 1371 O ARG A 84 7.481 7.645 1.135 1.00 0.00 O ATOM 1372 CB ARG A 84 6.893 4.711 2.703 1.00 0.00 C ATOM 1373 CG ARG A 84 7.534 3.591 3.526 1.00 0.00 C ATOM 1374 CD ARG A 84 7.573 3.949 5.014 1.00 0.00 C ATOM 1375 NE ARG A 84 8.141 2.843 5.797 1.00 0.00 N ATOM 1376 CZ ARG A 84 7.943 2.645 7.109 1.00 0.00 C ATOM 1377 NH1 ARG A 84 7.215 3.508 7.827 1.00 0.00 N ATOM 1378 NH2 ARG A 84 8.483 1.574 7.698 1.00 0.00 N ATOM 0 H ARG A 84 8.907 6.315 3.209 1.00 0.00 H new ATOM 0 HA ARG A 84 8.155 4.590 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.523 5.483 3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.030 4.313 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.973 2.667 3.386 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.547 3.406 3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.169 4.850 5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.566 4.172 5.367 1.00 0.00 H new ATOM 0 HE ARG A 84 8.732 2.173 5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.804 4.326 7.377 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.071 3.348 8.824 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.039 0.917 7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.339 1.413 8.695 1.00 0.00 H new ATOM 1392 N LYS A 85 6.175 6.093 0.139 1.00 0.00 N ATOM 1393 CA LYS A 85 5.395 6.992 -0.690 1.00 0.00 C ATOM 1394 C LYS A 85 4.121 6.312 -1.179 1.00 0.00 C ATOM 1395 O LYS A 85 4.143 5.139 -1.542 1.00 0.00 O ATOM 1396 CB LYS A 85 6.254 7.489 -1.860 1.00 0.00 C ATOM 1397 CG LYS A 85 6.702 6.345 -2.785 1.00 0.00 C ATOM 1398 CD LYS A 85 8.088 6.608 -3.381 1.00 0.00 C ATOM 1399 CE LYS A 85 8.101 7.853 -4.276 1.00 0.00 C ATOM 1400 NZ LYS A 85 9.437 8.080 -4.854 1.00 0.00 N ATOM 0 H LYS A 85 5.895 5.117 0.039 1.00 0.00 H new ATOM 0 HA LYS A 85 5.091 7.854 -0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.688 8.220 -2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.133 8.003 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.718 5.410 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.977 6.223 -3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.811 6.733 -2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.404 5.741 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.371 7.736 -5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.800 8.725 -3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.416 8.929 -5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.128 8.215 -4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.712 7.257 -5.427 1.00 0.00 H new ATOM 1414 N LEU A 86 3.010 7.048 -1.188 1.00 0.00 N ATOM 1415 CA LEU A 86 1.790 6.620 -1.861 1.00 0.00 C ATOM 1416 C LEU A 86 2.095 6.513 -3.360 1.00 0.00 C ATOM 1417 O LEU A 86 2.508 7.507 -3.953 1.00 0.00 O ATOM 1418 CB LEU A 86 0.690 7.665 -1.606 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.642 7.360 -2.317 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.355 6.176 -1.663 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.556 8.589 -2.238 1.00 0.00 C ATOM 0 H LEU A 86 2.933 7.956 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 86 1.447 5.655 -1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.510 7.733 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.048 8.641 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.424 7.112 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.292 5.982 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.719 5.292 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.562 6.408 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.499 8.374 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.749 8.832 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.070 9.435 -2.724 1.00 0.00 H new ATOM 1433 N LEU A 87 1.889 5.344 -3.979 1.00 0.00 N ATOM 1434 CA LEU A 87 1.945 5.227 -5.431 1.00 0.00 C ATOM 1435 C LEU A 87 0.592 5.643 -5.998 1.00 0.00 C ATOM 1436 O LEU A 87 0.519 6.560 -6.812 1.00 0.00 O ATOM 1437 CB LEU A 87 2.325 3.804 -5.882 1.00 0.00 C ATOM 1438 CG LEU A 87 3.152 3.811 -7.181 1.00 0.00 C ATOM 1439 CD1 LEU A 87 4.576 4.347 -6.970 1.00 0.00 C ATOM 1440 CD2 LEU A 87 3.246 2.380 -7.720 1.00 0.00 C ATOM 0 H LEU A 87 1.683 4.471 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 87 2.727 5.884 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.895 3.314 -5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.419 3.217 -6.033 1.00 0.00 H new ATOM 0 HG LEU A 87 2.647 4.471 -7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.115 4.330 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.528 5.370 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.097 3.721 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.830 2.375 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.730 1.743 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.244 2.002 -7.924 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.477 4.968 -5.563 1.00 0.00 N ATOM 1453 CA ARG A 88 -1.840 5.293 -5.954 1.00 0.00 C ATOM 1454 C ARG A 88 -2.791 4.962 -4.807 1.00 0.00 C ATOM 1455 O ARG A 88 -2.529 4.063 -4.007 1.00 0.00 O ATOM 1456 CB ARG A 88 -2.279 4.523 -7.213 1.00 0.00 C ATOM 1457 CG ARG A 88 -1.699 5.068 -8.528 1.00 0.00 C ATOM 1458 CD ARG A 88 -0.503 4.255 -9.039 1.00 0.00 C ATOM 1459 NE ARG A 88 -0.893 2.904 -9.471 1.00 0.00 N ATOM 1460 CZ ARG A 88 -1.497 2.601 -10.630 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -1.847 3.567 -11.487 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -1.747 1.323 -10.926 1.00 0.00 N ATOM 0 H ARG A 88 -0.413 4.175 -4.924 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.873 6.358 -6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.985 3.479 -7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.367 4.543 -7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.480 5.072 -9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.391 6.103 -8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.038 4.781 -9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.247 4.180 -8.251 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.687 2.133 -8.836 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.655 4.543 -11.261 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.306 3.327 -12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.479 0.586 -10.273 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.206 1.083 -11.805 1.00 0.00 H new ATOM 1476 N PHE A 89 -3.904 5.696 -4.769 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.070 5.440 -3.948 1.00 0.00 C ATOM 1478 C PHE A 89 -6.198 5.183 -4.940 1.00 0.00 C ATOM 1479 O PHE A 89 -6.289 5.880 -5.953 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.364 6.671 -3.086 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.545 6.530 -2.145 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -6.418 5.747 -0.982 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -7.701 7.310 -2.339 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -7.414 5.789 0.009 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -8.688 7.363 -1.340 1.00 0.00 C ATOM 1486 CZ PHE A 89 -8.539 6.614 -0.161 1.00 0.00 C ATOM 0 H PHE A 89 -4.014 6.530 -5.346 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.938 4.598 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.476 6.904 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.543 7.522 -3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.554 5.113 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.829 7.867 -3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.315 5.188 0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.563 7.981 -1.479 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.289 6.672 0.614 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.011 4.153 -4.722 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.108 3.791 -5.592 1.00 0.00 C ATOM 1498 C ASN A 90 -9.309 3.511 -4.699 1.00 0.00 C ATOM 1499 O ASN A 90 -9.142 3.027 -3.579 1.00 0.00 O ATOM 1500 CB ASN A 90 -7.772 2.513 -6.370 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.448 2.486 -7.135 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.863 1.419 -7.314 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -5.951 3.627 -7.607 1.00 0.00 N ATOM 0 H ASN A 90 -6.917 3.537 -3.914 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.305 4.593 -6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.773 1.680 -5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.577 2.330 -7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.073 3.625 -8.126 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.448 4.504 -7.450 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.515 3.769 -5.200 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.749 3.385 -4.537 1.00 0.00 C ATOM 1512 C GLY A 91 -12.738 4.547 -4.447 1.00 0.00 C ATOM 1513 O GLY A 91 -12.545 5.558 -5.124 1.00 0.00 O ATOM 0 H GLY A 91 -10.659 4.255 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.209 2.559 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.524 3.022 -3.534 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.792 4.413 -3.625 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.086 3.223 -2.840 1.00 0.00 C ATOM 1519 C PRO A 92 -14.419 2.051 -3.768 1.00 0.00 C ATOM 1520 O PRO A 92 -14.892 2.267 -4.883 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.275 3.602 -1.954 1.00 0.00 C ATOM 1522 CG PRO A 92 -15.995 4.675 -2.771 1.00 0.00 C ATOM 1523 CD PRO A 92 -14.855 5.395 -3.491 1.00 0.00 C ATOM 0 HA PRO A 92 -13.239 2.902 -2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.920 2.745 -1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.950 3.984 -0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.702 4.237 -3.475 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.560 5.354 -2.133 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.176 5.760 -4.467 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.518 6.262 -2.922 1.00 0.00 H new ATOM 1531 N VAL A 93 -14.152 0.820 -3.327 1.00 0.00 N ATOM 1532 CA VAL A 93 -14.509 -0.394 -4.059 1.00 0.00 C ATOM 1533 C VAL A 93 -15.107 -1.379 -3.055 1.00 0.00 C ATOM 1534 O VAL A 93 -14.517 -1.579 -1.998 1.00 0.00 O ATOM 1535 CB VAL A 93 -13.305 -1.013 -4.811 1.00 0.00 C ATOM 1536 CG1 VAL A 93 -13.065 -0.330 -6.162 1.00 0.00 C ATOM 1537 CG2 VAL A 93 -11.992 -1.027 -4.014 1.00 0.00 C ATOM 0 H VAL A 93 -13.677 0.638 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 93 -15.235 -0.148 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.596 -2.052 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.212 -0.794 -6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -13.951 -0.439 -6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -12.861 0.729 -6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.205 -1.478 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.712 -0.006 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -12.127 -1.608 -3.101 1.00 0.00 H new ATOM 1547 N PRO A 94 -16.278 -1.976 -3.324 1.00 0.00 N ATOM 1548 CA PRO A 94 -16.876 -2.917 -2.393 1.00 0.00 C ATOM 1549 C PRO A 94 -16.017 -4.186 -2.333 1.00 0.00 C ATOM 1550 O PRO A 94 -15.328 -4.506 -3.302 1.00 0.00 O ATOM 1551 CB PRO A 94 -18.275 -3.199 -2.951 1.00 0.00 C ATOM 1552 CG PRO A 94 -18.096 -3.002 -4.456 1.00 0.00 C ATOM 1553 CD PRO A 94 -17.069 -1.872 -4.540 1.00 0.00 C ATOM 0 HA PRO A 94 -16.938 -2.534 -1.375 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -18.607 -4.210 -2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -19.018 -2.515 -2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -17.737 -3.910 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.034 -2.731 -4.941 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -16.443 -1.976 -5.426 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -17.559 -0.901 -4.608 1.00 0.00 H new ATOM 1561 N PRO A 95 -16.042 -4.922 -1.212 1.00 0.00 N ATOM 1562 CA PRO A 95 -15.334 -6.185 -1.103 1.00 0.00 C ATOM 1563 C PRO A 95 -15.979 -7.220 -2.033 1.00 0.00 C ATOM 1564 O PRO A 95 -17.170 -7.121 -2.331 1.00 0.00 O ATOM 1565 CB PRO A 95 -15.462 -6.584 0.371 1.00 0.00 C ATOM 1566 CG PRO A 95 -16.792 -5.953 0.787 1.00 0.00 C ATOM 1567 CD PRO A 95 -16.819 -4.651 -0.015 1.00 0.00 C ATOM 0 HA PRO A 95 -14.287 -6.116 -1.399 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.473 -7.667 0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.632 -6.203 0.965 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -17.638 -6.596 0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.833 -5.767 1.860 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -17.840 -4.365 -0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.388 -3.828 0.556 1.00 0.00 H new ATOM 1575 N PRO A 96 -15.221 -8.227 -2.494 1.00 0.00 N ATOM 1576 CA PRO A 96 -15.751 -9.288 -3.334 1.00 0.00 C ATOM 1577 C PRO A 96 -16.756 -10.146 -2.558 1.00 0.00 C ATOM 1578 O PRO A 96 -16.551 -10.318 -1.335 1.00 0.00 O ATOM 1579 CB PRO A 96 -14.529 -10.099 -3.777 1.00 0.00 C ATOM 1580 CG PRO A 96 -13.535 -9.890 -2.634 1.00 0.00 C ATOM 1581 CD PRO A 96 -13.816 -8.453 -2.195 1.00 0.00 C ATOM 1582 OXT PRO A 96 -17.703 -10.637 -3.211 1.00 0.00 O ATOM 0 HA PRO A 96 -16.298 -8.900 -4.193 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -14.773 -11.153 -3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -14.131 -9.741 -4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.698 -10.599 -1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.505 -10.017 -2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.614 -8.320 -1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -13.182 -7.747 -2.731 1.00 0.00 H new TER 1590 PRO A 96