USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 607 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 70 ASN : amide:sc= -9.12! C(o=-12!,f=-3.1!) USER MOD Set 1.2: A 72 ASN : amide:sc= -3.1 X(o=-12,f=-13!) USER MOD Set 2.1: A 35 GLN : amide:sc= -2.04! C(o=-4.6!,f=-6.6!) USER MOD Set 2.2: A 38 GLN : amide:sc= -2.55! K(o=-4.6!,f=-3.7) USER MOD Set 3.1: A 7 SER OG : rot -170:sc= 0.0704 USER MOD Set 3.2: A 18 SER OG : rot 124:sc= 0.0682 USER MOD Set 4.1: A 13 ASN : amide:sc= -8.81! C(o=-8.8!,f=-5.5!) USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 9 THR OG1 : rot -157:sc= 0.487 USER MOD Set 5.2: A 11 ASN : amide:sc= -0.479 K(o=0.0075,f=-5) USER MOD Single : A 12 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-2.5) USER MOD Single : A 15 MET CE :methyl 165:sc= 0 (180deg=-0.402) USER MOD Single : A 16 LYS NZ :NH3+ -118:sc= -0.922 (180deg=-2.83!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -31:sc= 0.0485 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 150:sc= -0.992 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= -1.18! (180deg=-1.89) USER MOD Single : A 68 ASN : amide:sc= -0.482 K(o=-0.48,f=-1.5) USER MOD Single : A 77 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.75) USER MOD Single : A 80 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.96) USER MOD Single : A 81 THR OG1 : rot -85:sc= 0.115 USER MOD Single : A 84 LYS NZ :NH3+ -147:sc= -0.0248 (180deg=-1.51!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 4.219 1.461 -2.492 1.00 1.00 N ATOM 21 CA GLU A 2 4.266 2.917 -2.695 1.00 1.00 C ATOM 22 C GLU A 2 4.785 3.613 -1.440 1.00 1.00 C ATOM 23 O GLU A 2 4.262 3.413 -0.345 1.00 1.00 O ATOM 24 CB GLU A 2 2.851 3.434 -3.047 1.00 1.00 C ATOM 25 CG GLU A 2 1.802 2.776 -2.141 1.00 1.00 C ATOM 26 CD GLU A 2 0.429 3.384 -2.416 1.00 1.00 C ATOM 27 OE1 GLU A 2 0.134 3.633 -3.572 1.00 1.00 O ATOM 28 OE2 GLU A 2 -0.306 3.595 -1.465 1.00 1.00 O ATOM 0 HA GLU A 2 4.946 3.141 -3.517 1.00 1.00 H new ATOM 0 HB2 GLU A 2 2.813 4.517 -2.931 1.00 1.00 H new ATOM 0 HB3 GLU A 2 2.627 3.217 -4.091 1.00 1.00 H new ATOM 0 HG2 GLU A 2 1.776 1.701 -2.319 1.00 1.00 H new ATOM 0 HG3 GLU A 2 2.071 2.919 -1.094 1.00 1.00 H new ATOM 35 N ILE A 3 5.839 4.417 -1.592 1.00 1.00 N ATOM 36 CA ILE A 3 6.424 5.115 -0.450 1.00 1.00 C ATOM 37 C ILE A 3 5.333 5.822 0.354 1.00 1.00 C ATOM 38 O ILE A 3 4.276 6.147 -0.174 1.00 1.00 O ATOM 39 CB ILE A 3 7.450 6.143 -0.943 1.00 1.00 C ATOM 40 CG1 ILE A 3 8.560 5.420 -1.726 1.00 1.00 C ATOM 41 CG2 ILE A 3 8.064 6.889 0.258 1.00 1.00 C ATOM 42 CD1 ILE A 3 9.440 6.451 -2.431 1.00 1.00 C ATOM 0 H ILE A 3 6.299 4.598 -2.484 1.00 1.00 H new ATOM 0 HA ILE A 3 6.919 4.387 0.192 1.00 1.00 H new ATOM 0 HB ILE A 3 6.955 6.864 -1.593 1.00 1.00 H new ATOM 0 HG12 ILE A 3 9.162 4.814 -1.049 1.00 1.00 H new ATOM 0 HG13 ILE A 3 8.121 4.740 -2.456 1.00 1.00 H new ATOM 0 HG21 ILE A 3 8.792 7.617 -0.100 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.276 7.403 0.808 1.00 1.00 H new ATOM 0 HG23 ILE A 3 8.559 6.175 0.916 1.00 1.00 H new ATOM 0 HD11 ILE A 3 10.227 5.939 -2.986 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.832 7.038 -3.120 1.00 1.00 H new ATOM 0 HD13 ILE A 3 9.890 7.113 -1.691 1.00 1.00 H new ATOM 54 N ILE A 4 5.608 6.058 1.635 1.00 1.00 N ATOM 55 CA ILE A 4 4.649 6.731 2.527 1.00 1.00 C ATOM 56 C ILE A 4 5.307 7.911 3.219 1.00 1.00 C ATOM 57 O ILE A 4 4.676 8.950 3.416 1.00 1.00 O ATOM 58 CB ILE A 4 4.136 5.737 3.577 1.00 1.00 C ATOM 59 CG1 ILE A 4 3.421 4.554 2.871 1.00 1.00 C ATOM 60 CG2 ILE A 4 3.178 6.433 4.562 1.00 1.00 C ATOM 61 CD1 ILE A 4 2.175 4.999 2.065 1.00 1.00 C ATOM 0 H ILE A 4 6.485 5.796 2.084 1.00 1.00 H new ATOM 0 HA ILE A 4 3.813 7.096 1.931 1.00 1.00 H new ATOM 0 HB ILE A 4 4.985 5.354 4.144 1.00 1.00 H new ATOM 0 HG12 ILE A 4 4.124 4.059 2.201 1.00 1.00 H new ATOM 0 HG13 ILE A 4 3.121 3.819 3.618 1.00 1.00 H new ATOM 0 HG21 ILE A 4 2.826 5.711 5.298 1.00 1.00 H new ATOM 0 HG22 ILE A 4 3.703 7.242 5.070 1.00 1.00 H new ATOM 0 HG23 ILE A 4 2.327 6.839 4.016 1.00 1.00 H new ATOM 0 HD11 ILE A 4 1.717 4.129 1.594 1.00 1.00 H new ATOM 0 HD12 ILE A 4 1.456 5.469 2.736 1.00 1.00 H new ATOM 0 HD13 ILE A 4 2.474 5.712 1.297 1.00 1.00 H new ATOM 73 N ALA A 5 6.568 7.750 3.591 1.00 1.00 N ATOM 74 CA ALA A 5 7.284 8.817 4.273 1.00 1.00 C ATOM 75 C ALA A 5 8.753 8.460 4.403 1.00 1.00 C ATOM 76 O ALA A 5 9.125 7.289 4.338 1.00 1.00 O ATOM 77 CB ALA A 5 6.683 9.034 5.664 1.00 1.00 C ATOM 0 H ALA A 5 7.111 6.901 3.435 1.00 1.00 H new ATOM 0 HA ALA A 5 7.192 9.734 3.690 1.00 1.00 H new ATOM 0 HB1 ALA A 5 7.222 9.834 6.172 1.00 1.00 H new ATOM 0 HB2 ALA A 5 5.632 9.308 5.568 1.00 1.00 H new ATOM 0 HB3 ALA A 5 6.767 8.115 6.244 1.00 1.00 H new ATOM 83 N ILE A 6 9.587 9.480 4.592 1.00 1.00 N ATOM 84 CA ILE A 6 11.032 9.287 4.740 1.00 1.00 C ATOM 85 C ILE A 6 11.417 9.442 6.202 1.00 1.00 C ATOM 86 O ILE A 6 11.012 10.404 6.858 1.00 1.00 O ATOM 87 CB ILE A 6 11.789 10.324 3.898 1.00 1.00 C ATOM 88 CG1 ILE A 6 11.359 10.202 2.424 1.00 1.00 C ATOM 89 CG2 ILE A 6 13.299 10.068 4.017 1.00 1.00 C ATOM 90 CD1 ILE A 6 11.923 11.377 1.619 1.00 1.00 C ATOM 0 H ILE A 6 9.288 10.454 4.647 1.00 1.00 H new ATOM 0 HA ILE A 6 11.296 8.287 4.396 1.00 1.00 H new ATOM 0 HB ILE A 6 11.560 11.327 4.258 1.00 1.00 H new ATOM 0 HG12 ILE A 6 11.716 9.260 2.008 1.00 1.00 H new ATOM 0 HG13 ILE A 6 10.271 10.190 2.353 1.00 1.00 H new ATOM 0 HG21 ILE A 6 13.841 10.802 3.421 1.00 1.00 H new ATOM 0 HG22 ILE A 6 13.601 10.154 5.061 1.00 1.00 H new ATOM 0 HG23 ILE A 6 13.528 9.066 3.654 1.00 1.00 H new ATOM 0 HD11 ILE A 6 11.616 11.285 0.577 1.00 1.00 H new ATOM 0 HD12 ILE A 6 11.544 12.314 2.028 1.00 1.00 H new ATOM 0 HD13 ILE A 6 13.011 11.369 1.678 1.00 1.00 H new ATOM 102 N SER A 7 12.202 8.487 6.712 1.00 1.00 N ATOM 103 CA SER A 7 12.650 8.511 8.110 1.00 1.00 C ATOM 104 C SER A 7 14.163 8.692 8.170 1.00 1.00 C ATOM 105 O SER A 7 14.925 7.759 7.921 1.00 1.00 O ATOM 106 CB SER A 7 12.243 7.197 8.796 1.00 1.00 C ATOM 107 OG SER A 7 10.853 7.236 9.094 1.00 1.00 O ATOM 0 H SER A 7 12.541 7.687 6.178 1.00 1.00 H new ATOM 0 HA SER A 7 12.181 9.347 8.628 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.464 6.350 8.146 1.00 1.00 H new ATOM 0 HB3 SER A 7 12.819 7.057 9.710 1.00 1.00 H new ATOM 0 HG SER A 7 10.620 6.476 9.668 1.00 1.00 H new ATOM 113 N GLU A 8 14.581 9.902 8.524 1.00 1.00 N ATOM 114 CA GLU A 8 15.995 10.224 8.649 1.00 1.00 C ATOM 115 C GLU A 8 16.522 9.647 9.949 1.00 1.00 C ATOM 116 O GLU A 8 15.803 9.605 10.948 1.00 1.00 O ATOM 117 CB GLU A 8 16.195 11.742 8.641 1.00 1.00 C ATOM 118 CG GLU A 8 15.368 12.374 9.758 1.00 1.00 C ATOM 119 CD GLU A 8 15.489 13.892 9.694 1.00 1.00 C ATOM 120 OE1 GLU A 8 16.550 14.364 9.319 1.00 1.00 O ATOM 121 OE2 GLU A 8 14.522 14.560 10.019 1.00 1.00 O ATOM 0 H GLU A 8 13.955 10.680 8.730 1.00 1.00 H new ATOM 0 HA GLU A 8 16.538 9.795 7.807 1.00 1.00 H new ATOM 0 HB2 GLU A 8 17.250 11.981 8.776 1.00 1.00 H new ATOM 0 HB3 GLU A 8 15.896 12.153 7.677 1.00 1.00 H new ATOM 0 HG2 GLU A 8 14.323 12.079 9.661 1.00 1.00 H new ATOM 0 HG3 GLU A 8 15.713 12.013 10.727 1.00 1.00 H new ATOM 128 N THR A 9 17.773 9.193 9.935 1.00 1.00 N ATOM 129 CA THR A 9 18.404 8.599 11.125 1.00 1.00 C ATOM 130 C THR A 9 19.685 9.375 11.468 1.00 1.00 C ATOM 131 O THR A 9 20.226 10.087 10.622 1.00 1.00 O ATOM 132 CB THR A 9 18.742 7.096 10.859 1.00 1.00 C ATOM 133 OG1 THR A 9 20.093 6.825 11.218 1.00 1.00 O ATOM 134 CG2 THR A 9 18.560 6.761 9.378 1.00 1.00 C ATOM 0 H THR A 9 18.376 9.223 9.113 1.00 1.00 H new ATOM 0 HA THR A 9 17.713 8.658 11.966 1.00 1.00 H new ATOM 0 HB THR A 9 18.066 6.488 11.461 1.00 1.00 H new ATOM 0 HG1 THR A 9 20.407 6.032 10.735 1.00 1.00 H new ATOM 0 HG21 THR A 9 18.799 5.711 9.210 1.00 1.00 H new ATOM 0 HG22 THR A 9 17.526 6.948 9.087 1.00 1.00 H new ATOM 0 HG23 THR A 9 19.224 7.385 8.780 1.00 1.00 H new ATOM 142 N PRO A 10 20.186 9.242 12.678 1.00 1.00 N ATOM 143 CA PRO A 10 21.441 9.936 13.111 1.00 1.00 C ATOM 144 C PRO A 10 22.663 9.482 12.303 1.00 1.00 C ATOM 145 O PRO A 10 23.798 9.639 12.751 1.00 1.00 O ATOM 146 CB PRO A 10 21.574 9.559 14.610 1.00 1.00 C ATOM 147 CG PRO A 10 20.769 8.301 14.762 1.00 1.00 C ATOM 148 CD PRO A 10 19.610 8.436 13.773 1.00 1.00 C ATOM 0 HA PRO A 10 21.393 11.013 12.949 1.00 1.00 H new ATOM 0 HB2 PRO A 10 22.616 9.398 14.886 1.00 1.00 H new ATOM 0 HB3 PRO A 10 21.193 10.353 15.253 1.00 1.00 H new ATOM 0 HG2 PRO A 10 21.372 7.420 14.542 1.00 1.00 H new ATOM 0 HG3 PRO A 10 20.403 8.190 15.783 1.00 1.00 H new ATOM 0 HD2 PRO A 10 19.269 7.463 13.419 1.00 1.00 H new ATOM 0 HD3 PRO A 10 18.751 8.930 14.226 1.00 1.00 H new ATOM 156 N ASN A 11 22.437 8.933 11.106 1.00 1.00 N ATOM 157 CA ASN A 11 23.529 8.478 10.246 1.00 1.00 C ATOM 158 C ASN A 11 23.868 9.559 9.232 1.00 1.00 C ATOM 159 O ASN A 11 23.333 10.667 9.294 1.00 1.00 O ATOM 160 CB ASN A 11 23.103 7.211 9.511 1.00 1.00 C ATOM 161 CG ASN A 11 22.781 6.112 10.514 1.00 1.00 C ATOM 162 OD1 ASN A 11 21.899 5.288 10.272 1.00 1.00 O ATOM 163 ND2 ASN A 11 23.444 6.053 11.638 1.00 1.00 N ATOM 0 H ASN A 11 21.507 8.794 10.712 1.00 1.00 H new ATOM 0 HA ASN A 11 24.406 8.269 10.858 1.00 1.00 H new ATOM 0 HB2 ASN A 11 22.230 7.416 8.891 1.00 1.00 H new ATOM 0 HB3 ASN A 11 23.899 6.883 8.843 1.00 1.00 H new ATOM 0 HD21 ASN A 11 23.231 5.323 12.318 1.00 1.00 H new ATOM 0 HD22 ASN A 11 24.174 6.737 11.836 1.00 1.00 H new ATOM 170 N HIS A 12 24.770 9.239 8.299 1.00 1.00 N ATOM 171 CA HIS A 12 25.196 10.192 7.264 1.00 1.00 C ATOM 172 C HIS A 12 24.693 9.782 5.877 1.00 1.00 C ATOM 173 O HIS A 12 24.108 10.590 5.153 1.00 1.00 O ATOM 174 CB HIS A 12 26.725 10.248 7.249 1.00 1.00 C ATOM 175 CG HIS A 12 27.177 11.297 6.276 1.00 1.00 C ATOM 176 ND1 HIS A 12 27.412 11.013 4.941 1.00 1.00 N ATOM 177 CD2 HIS A 12 27.422 12.638 6.424 1.00 1.00 C ATOM 178 CE1 HIS A 12 27.781 12.159 4.342 1.00 1.00 C ATOM 179 NE2 HIS A 12 27.803 13.182 5.203 1.00 1.00 N ATOM 0 H HIS A 12 25.221 8.326 8.238 1.00 1.00 H new ATOM 0 HA HIS A 12 24.773 11.169 7.499 1.00 1.00 H new ATOM 0 HB2 HIS A 12 27.101 10.476 8.246 1.00 1.00 H new ATOM 0 HB3 HIS A 12 27.133 9.277 6.969 1.00 1.00 H new ATOM 0 HD2 HIS A 12 27.332 13.188 7.349 1.00 1.00 H new ATOM 0 HE1 HIS A 12 28.029 12.243 3.294 1.00 1.00 H new ATOM 0 HE2 HIS A 12 28.047 14.153 5.006 1.00 1.00 H new ATOM 188 N ASN A 13 24.952 8.521 5.511 1.00 1.00 N ATOM 189 CA ASN A 13 24.559 7.977 4.196 1.00 1.00 C ATOM 190 C ASN A 13 23.545 6.846 4.323 1.00 1.00 C ATOM 191 O ASN A 13 23.206 6.200 3.332 1.00 1.00 O ATOM 192 CB ASN A 13 25.801 7.474 3.468 1.00 1.00 C ATOM 193 CG ASN A 13 26.545 6.453 4.331 1.00 1.00 C ATOM 194 OD1 ASN A 13 27.677 6.089 4.016 1.00 1.00 O ATOM 195 ND2 ASN A 13 25.980 5.972 5.407 1.00 1.00 N ATOM 0 H ASN A 13 25.435 7.850 6.109 1.00 1.00 H new ATOM 0 HA ASN A 13 24.085 8.779 3.630 1.00 1.00 H new ATOM 0 HB2 ASN A 13 25.516 7.019 2.519 1.00 1.00 H new ATOM 0 HB3 ASN A 13 26.459 8.312 3.235 1.00 1.00 H new ATOM 0 HD21 ASN A 13 26.478 5.295 5.985 1.00 1.00 H new ATOM 0 HD22 ASN A 13 25.041 6.274 5.668 1.00 1.00 H new ATOM 202 N THR A 14 23.048 6.618 5.542 1.00 1.00 N ATOM 203 CA THR A 14 22.050 5.568 5.796 1.00 1.00 C ATOM 204 C THR A 14 20.721 6.213 6.162 1.00 1.00 C ATOM 205 O THR A 14 20.668 7.082 7.028 1.00 1.00 O ATOM 206 CB THR A 14 22.516 4.668 6.949 1.00 1.00 C ATOM 207 OG1 THR A 14 23.843 4.236 6.696 1.00 1.00 O ATOM 208 CG2 THR A 14 21.593 3.448 7.064 1.00 1.00 C ATOM 0 H THR A 14 23.319 7.146 6.372 1.00 1.00 H new ATOM 0 HA THR A 14 21.930 4.963 4.897 1.00 1.00 H new ATOM 0 HB THR A 14 22.483 5.229 7.883 1.00 1.00 H new ATOM 0 HG1 THR A 14 24.146 3.662 7.430 1.00 1.00 H new ATOM 0 HG21 THR A 14 21.929 2.813 7.884 1.00 1.00 H new ATOM 0 HG22 THR A 14 20.573 3.780 7.257 1.00 1.00 H new ATOM 0 HG23 THR A 14 21.620 2.882 6.133 1.00 1.00 H new ATOM 216 N MET A 15 19.647 5.782 5.499 1.00 1.00 N ATOM 217 CA MET A 15 18.300 6.311 5.757 1.00 1.00 C ATOM 218 C MET A 15 17.298 5.180 5.725 1.00 1.00 C ATOM 219 O MET A 15 17.493 4.185 5.025 1.00 1.00 O ATOM 220 CB MET A 15 17.917 7.354 4.704 1.00 1.00 C ATOM 221 CG MET A 15 16.526 7.919 4.992 1.00 1.00 C ATOM 222 SD MET A 15 16.228 9.317 3.879 1.00 1.00 S ATOM 223 CE MET A 15 16.866 10.628 4.950 1.00 1.00 C ATOM 0 H MET A 15 19.681 5.064 4.775 1.00 1.00 H new ATOM 0 HA MET A 15 18.296 6.785 6.739 1.00 1.00 H new ATOM 0 HB2 MET A 15 18.650 8.161 4.699 1.00 1.00 H new ATOM 0 HB3 MET A 15 17.934 6.902 3.712 1.00 1.00 H new ATOM 0 HG2 MET A 15 15.768 7.150 4.845 1.00 1.00 H new ATOM 0 HG3 MET A 15 16.456 8.241 6.031 1.00 1.00 H new ATOM 0 HE1 MET A 15 17.023 11.533 4.363 1.00 1.00 H new ATOM 0 HE2 MET A 15 16.148 10.831 5.744 1.00 1.00 H new ATOM 0 HE3 MET A 15 17.812 10.311 5.389 1.00 1.00 H new ATOM 233 N LYS A 16 16.215 5.338 6.488 1.00 1.00 N ATOM 234 CA LYS A 16 15.158 4.318 6.544 1.00 1.00 C ATOM 235 C LYS A 16 13.931 4.815 5.799 1.00 1.00 C ATOM 236 O LYS A 16 13.478 5.936 6.025 1.00 1.00 O ATOM 237 CB LYS A 16 14.779 4.039 8.007 1.00 1.00 C ATOM 238 CG LYS A 16 13.901 2.786 8.090 1.00 1.00 C ATOM 239 CD LYS A 16 13.443 2.576 9.544 1.00 1.00 C ATOM 240 CE LYS A 16 14.650 2.347 10.481 1.00 1.00 C ATOM 241 NZ LYS A 16 15.132 3.667 10.982 1.00 1.00 N ATOM 0 H LYS A 16 16.044 6.156 7.073 1.00 1.00 H new ATOM 0 HA LYS A 16 15.524 3.401 6.082 1.00 1.00 H new ATOM 0 HB2 LYS A 16 15.680 3.902 8.605 1.00 1.00 H new ATOM 0 HB3 LYS A 16 14.247 4.894 8.423 1.00 1.00 H new ATOM 0 HG2 LYS A 16 13.035 2.892 7.436 1.00 1.00 H new ATOM 0 HG3 LYS A 16 14.458 1.915 7.743 1.00 1.00 H new ATOM 0 HD2 LYS A 16 12.878 3.446 9.880 1.00 1.00 H new ATOM 0 HD3 LYS A 16 12.771 1.720 9.596 1.00 1.00 H new ATOM 0 HE2 LYS A 16 14.362 1.709 11.317 1.00 1.00 H new ATOM 0 HE3 LYS A 16 15.449 1.832 9.947 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 16.110 3.823 10.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 14.522 4.423 10.610 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 15.100 3.676 12.021 1.00 1.00 H new ATOM 255 N VAL A 17 13.385 3.973 4.920 1.00 1.00 N ATOM 256 CA VAL A 17 12.182 4.325 4.156 1.00 1.00 C ATOM 257 C VAL A 17 11.017 3.506 4.685 1.00 1.00 C ATOM 258 O VAL A 17 10.968 2.289 4.503 1.00 1.00 O ATOM 259 CB VAL A 17 12.406 4.032 2.673 1.00 1.00 C ATOM 260 CG1 VAL A 17 11.142 4.376 1.872 1.00 1.00 C ATOM 261 CG2 VAL A 17 13.579 4.874 2.165 1.00 1.00 C ATOM 0 H VAL A 17 13.754 3.044 4.718 1.00 1.00 H new ATOM 0 HA VAL A 17 11.964 5.387 4.267 1.00 1.00 H new ATOM 0 HB VAL A 17 12.629 2.973 2.545 1.00 1.00 H new ATOM 0 HG11 VAL A 17 11.311 4.164 0.816 1.00 1.00 H new ATOM 0 HG12 VAL A 17 10.307 3.775 2.234 1.00 1.00 H new ATOM 0 HG13 VAL A 17 10.909 5.433 1.997 1.00 1.00 H new ATOM 0 HG21 VAL A 17 13.743 4.669 1.107 1.00 1.00 H new ATOM 0 HG22 VAL A 17 13.352 5.932 2.298 1.00 1.00 H new ATOM 0 HG23 VAL A 17 14.478 4.622 2.727 1.00 1.00 H new ATOM 271 N SER A 18 10.083 4.177 5.360 1.00 1.00 N ATOM 272 CA SER A 18 8.917 3.514 5.934 1.00 1.00 C ATOM 273 C SER A 18 7.781 3.513 4.915 1.00 1.00 C ATOM 274 O SER A 18 7.492 4.535 4.295 1.00 1.00 O ATOM 275 CB SER A 18 8.498 4.265 7.213 1.00 1.00 C ATOM 276 OG SER A 18 9.664 4.643 7.933 1.00 1.00 O ATOM 0 H SER A 18 10.114 5.184 5.522 1.00 1.00 H new ATOM 0 HA SER A 18 9.155 2.481 6.188 1.00 1.00 H new ATOM 0 HB2 SER A 18 7.912 5.147 6.956 1.00 1.00 H new ATOM 0 HB3 SER A 18 7.864 3.630 7.831 1.00 1.00 H new ATOM 0 HG SER A 18 9.659 5.612 8.078 1.00 1.00 H new ATOM 282 N LEU A 19 7.144 2.360 4.741 1.00 1.00 N ATOM 283 CA LEU A 19 6.046 2.229 3.792 1.00 1.00 C ATOM 284 C LEU A 19 5.293 0.934 4.042 1.00 1.00 C ATOM 285 O LEU A 19 5.846 -0.021 4.580 1.00 1.00 O ATOM 286 CB LEU A 19 6.569 2.262 2.336 1.00 1.00 C ATOM 287 CG LEU A 19 7.415 1.009 1.994 1.00 1.00 C ATOM 288 CD1 LEU A 19 7.856 1.086 0.524 1.00 1.00 C ATOM 289 CD2 LEU A 19 8.655 0.924 2.910 1.00 1.00 C ATOM 0 H LEU A 19 7.370 1.503 5.245 1.00 1.00 H new ATOM 0 HA LEU A 19 5.369 3.071 3.934 1.00 1.00 H new ATOM 0 HB2 LEU A 19 5.725 2.328 1.649 1.00 1.00 H new ATOM 0 HB3 LEU A 19 7.172 3.158 2.188 1.00 1.00 H new ATOM 0 HG LEU A 19 6.810 0.116 2.153 1.00 1.00 H new ATOM 0 HD11 LEU A 19 8.452 0.207 0.276 1.00 1.00 H new ATOM 0 HD12 LEU A 19 6.976 1.121 -0.118 1.00 1.00 H new ATOM 0 HD13 LEU A 19 8.453 1.985 0.370 1.00 1.00 H new ATOM 0 HD21 LEU A 19 9.236 0.038 2.654 1.00 1.00 H new ATOM 0 HD22 LEU A 19 9.270 1.813 2.773 1.00 1.00 H new ATOM 0 HD23 LEU A 19 8.335 0.861 3.950 1.00 1.00 H new ATOM 301 N SER A 20 4.029 0.895 3.638 1.00 1.00 N ATOM 302 CA SER A 20 3.216 -0.307 3.809 1.00 1.00 C ATOM 303 C SER A 20 3.396 -1.211 2.601 1.00 1.00 C ATOM 304 O SER A 20 2.589 -1.172 1.672 1.00 1.00 O ATOM 305 CB SER A 20 1.744 0.080 3.926 1.00 1.00 C ATOM 306 OG SER A 20 1.557 0.870 5.092 1.00 1.00 O ATOM 0 H SER A 20 3.546 1.675 3.193 1.00 1.00 H new ATOM 0 HA SER A 20 3.529 -0.828 4.714 1.00 1.00 H new ATOM 0 HB2 SER A 20 1.431 0.636 3.042 1.00 1.00 H new ATOM 0 HB3 SER A 20 1.124 -0.815 3.976 1.00 1.00 H new ATOM 0 HG SER A 20 0.613 1.121 5.169 1.00 1.00 H new ATOM 312 N GLU A 21 4.465 -2.028 2.608 1.00 1.00 N ATOM 313 CA GLU A 21 4.742 -2.943 1.487 1.00 1.00 C ATOM 314 C GLU A 21 4.435 -4.393 1.904 1.00 1.00 C ATOM 315 O GLU A 21 4.615 -4.736 3.071 1.00 1.00 O ATOM 316 CB GLU A 21 6.215 -2.832 1.061 1.00 1.00 C ATOM 317 CG GLU A 21 7.130 -2.995 2.273 1.00 1.00 C ATOM 318 CD GLU A 21 8.583 -2.770 1.868 1.00 1.00 C ATOM 319 OE1 GLU A 21 8.804 -2.181 0.824 1.00 1.00 O ATOM 320 OE2 GLU A 21 9.456 -3.195 2.609 1.00 1.00 O ATOM 0 H GLU A 21 5.144 -2.073 3.368 1.00 1.00 H new ATOM 0 HA GLU A 21 4.106 -2.666 0.646 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.444 -3.596 0.318 1.00 1.00 H new ATOM 0 HB3 GLU A 21 6.393 -1.865 0.590 1.00 1.00 H new ATOM 0 HG2 GLU A 21 6.847 -2.285 3.050 1.00 1.00 H new ATOM 0 HG3 GLU A 21 7.013 -3.993 2.695 1.00 1.00 H new ATOM 408 N SER A 27 10.695 -11.765 4.448 1.00 1.00 N ATOM 409 CA SER A 27 11.897 -12.489 4.017 1.00 1.00 C ATOM 410 C SER A 27 13.048 -11.518 3.807 1.00 1.00 C ATOM 411 O SER A 27 12.860 -10.403 3.319 1.00 1.00 O ATOM 412 CB SER A 27 11.608 -13.228 2.708 1.00 1.00 C ATOM 413 OG SER A 27 12.809 -13.811 2.217 1.00 1.00 O ATOM 0 HA SER A 27 12.174 -13.206 4.790 1.00 1.00 H new ATOM 0 HB2 SER A 27 10.857 -14.001 2.872 1.00 1.00 H new ATOM 0 HB3 SER A 27 11.199 -12.537 1.971 1.00 1.00 H new ATOM 0 HG SER A 27 12.624 -14.286 1.380 1.00 1.00 H new ATOM 419 N PHE A 28 14.247 -11.961 4.174 1.00 1.00 N ATOM 420 CA PHE A 28 15.460 -11.155 4.030 1.00 1.00 C ATOM 421 C PHE A 28 16.264 -11.625 2.826 1.00 1.00 C ATOM 422 O PHE A 28 16.504 -12.820 2.654 1.00 1.00 O ATOM 423 CB PHE A 28 16.316 -11.291 5.290 1.00 1.00 C ATOM 424 CG PHE A 28 16.619 -12.756 5.558 1.00 1.00 C ATOM 425 CD1 PHE A 28 17.743 -13.362 4.973 1.00 1.00 C ATOM 426 CD2 PHE A 28 15.782 -13.507 6.397 1.00 1.00 C ATOM 427 CE1 PHE A 28 18.025 -14.711 5.228 1.00 1.00 C ATOM 428 CE2 PHE A 28 16.066 -14.857 6.649 1.00 1.00 C ATOM 429 CZ PHE A 28 17.186 -15.458 6.065 1.00 1.00 C ATOM 0 H PHE A 28 14.407 -12.884 4.578 1.00 1.00 H new ATOM 0 HA PHE A 28 15.175 -10.113 3.886 1.00 1.00 H new ATOM 0 HB2 PHE A 28 17.246 -10.735 5.169 1.00 1.00 H new ATOM 0 HB3 PHE A 28 15.794 -10.857 6.143 1.00 1.00 H new ATOM 0 HD1 PHE A 28 18.390 -12.788 4.326 1.00 1.00 H new ATOM 0 HD2 PHE A 28 14.917 -13.045 6.850 1.00 1.00 H new ATOM 0 HE1 PHE A 28 18.890 -15.175 4.779 1.00 1.00 H new ATOM 0 HE2 PHE A 28 15.420 -15.433 7.294 1.00 1.00 H new ATOM 0 HZ PHE A 28 17.404 -16.498 6.259 1.00 1.00 H new ATOM 439 N THR A 29 16.669 -10.677 1.986 1.00 1.00 N ATOM 440 CA THR A 29 17.438 -10.991 0.789 1.00 1.00 C ATOM 441 C THR A 29 18.146 -9.736 0.304 1.00 1.00 C ATOM 442 O THR A 29 17.512 -8.811 -0.207 1.00 1.00 O ATOM 443 CB THR A 29 16.505 -11.519 -0.315 1.00 1.00 C ATOM 444 OG1 THR A 29 15.617 -12.480 0.236 1.00 1.00 O ATOM 445 CG2 THR A 29 17.329 -12.168 -1.431 1.00 1.00 C ATOM 0 H THR A 29 16.476 -9.684 2.114 1.00 1.00 H new ATOM 0 HA THR A 29 18.174 -11.759 1.026 1.00 1.00 H new ATOM 0 HB THR A 29 15.935 -10.687 -0.729 1.00 1.00 H new ATOM 0 HG1 THR A 29 16.062 -12.953 0.970 1.00 1.00 H new ATOM 0 HG21 THR A 29 16.661 -12.539 -2.208 1.00 1.00 H new ATOM 0 HG22 THR A 29 18.008 -11.430 -1.858 1.00 1.00 H new ATOM 0 HG23 THR A 29 17.906 -12.998 -1.022 1.00 1.00 H new ATOM 453 N THR A 30 19.461 -9.701 0.474 1.00 1.00 N ATOM 454 CA THR A 30 20.243 -8.549 0.057 1.00 1.00 C ATOM 455 C THR A 30 20.498 -8.587 -1.447 1.00 1.00 C ATOM 456 O THR A 30 21.156 -9.494 -1.955 1.00 1.00 O ATOM 457 CB THR A 30 21.577 -8.550 0.815 1.00 1.00 C ATOM 458 OG1 THR A 30 21.342 -8.216 2.176 1.00 1.00 O ATOM 459 CG2 THR A 30 22.554 -7.528 0.198 1.00 1.00 C ATOM 0 H THR A 30 20.005 -10.454 0.896 1.00 1.00 H new ATOM 0 HA THR A 30 19.688 -7.639 0.285 1.00 1.00 H new ATOM 0 HB THR A 30 22.021 -9.543 0.744 1.00 1.00 H new ATOM 0 HG1 THR A 30 22.192 -8.217 2.664 1.00 1.00 H new ATOM 0 HG21 THR A 30 23.494 -7.544 0.750 1.00 1.00 H new ATOM 0 HG22 THR A 30 22.741 -7.787 -0.844 1.00 1.00 H new ATOM 0 HG23 THR A 30 22.119 -6.530 0.252 1.00 1.00 H new ATOM 467 N TYR A 31 19.988 -7.577 -2.147 1.00 1.00 N ATOM 468 CA TYR A 31 20.169 -7.460 -3.595 1.00 1.00 C ATOM 469 C TYR A 31 20.367 -5.999 -3.986 1.00 1.00 C ATOM 470 O TYR A 31 20.015 -5.090 -3.237 1.00 1.00 O ATOM 471 CB TYR A 31 18.950 -8.048 -4.320 1.00 1.00 C ATOM 472 CG TYR A 31 17.677 -7.540 -3.667 1.00 1.00 C ATOM 473 CD1 TYR A 31 17.252 -6.221 -3.887 1.00 1.00 C ATOM 474 CD2 TYR A 31 16.918 -8.386 -2.841 1.00 1.00 C ATOM 475 CE1 TYR A 31 16.079 -5.756 -3.285 1.00 1.00 C ATOM 476 CE2 TYR A 31 15.744 -7.918 -2.247 1.00 1.00 C ATOM 477 CZ TYR A 31 15.326 -6.605 -2.468 1.00 1.00 C ATOM 478 OH TYR A 31 14.159 -6.151 -1.896 1.00 1.00 O ATOM 0 H TYR A 31 19.442 -6.822 -1.733 1.00 1.00 H new ATOM 0 HA TYR A 31 21.058 -8.018 -3.889 1.00 1.00 H new ATOM 0 HB2 TYR A 31 18.969 -7.766 -5.373 1.00 1.00 H new ATOM 0 HB3 TYR A 31 18.981 -9.137 -4.282 1.00 1.00 H new ATOM 0 HD1 TYR A 31 17.831 -5.565 -4.521 1.00 1.00 H new ATOM 0 HD2 TYR A 31 17.243 -9.401 -2.665 1.00 1.00 H new ATOM 0 HE1 TYR A 31 15.754 -4.740 -3.451 1.00 1.00 H new ATOM 0 HE2 TYR A 31 15.160 -8.572 -1.617 1.00 1.00 H new ATOM 0 HH TYR A 31 13.538 -6.900 -1.782 1.00 1.00 H new ATOM 488 N THR A 32 20.894 -5.785 -5.183 1.00 1.00 N ATOM 489 CA THR A 32 21.093 -4.435 -5.697 1.00 1.00 C ATOM 490 C THR A 32 21.486 -4.491 -7.173 1.00 1.00 C ATOM 491 O THR A 32 22.561 -4.974 -7.517 1.00 1.00 O ATOM 492 CB THR A 32 22.192 -3.719 -4.889 1.00 1.00 C ATOM 493 OG1 THR A 32 22.716 -2.646 -5.658 1.00 1.00 O ATOM 494 CG2 THR A 32 23.322 -4.700 -4.545 1.00 1.00 C ATOM 0 H THR A 32 21.192 -6.527 -5.817 1.00 1.00 H new ATOM 0 HA THR A 32 20.161 -3.879 -5.598 1.00 1.00 H new ATOM 0 HB THR A 32 21.762 -3.336 -3.964 1.00 1.00 H new ATOM 0 HG1 THR A 32 23.415 -2.187 -5.146 1.00 1.00 H new ATOM 0 HG21 THR A 32 24.092 -4.182 -3.974 1.00 1.00 H new ATOM 0 HG22 THR A 32 22.922 -5.522 -3.952 1.00 1.00 H new ATOM 0 HG23 THR A 32 23.755 -5.093 -5.465 1.00 1.00 H new ATOM 502 N ALA A 33 20.613 -3.979 -8.043 1.00 1.00 N ATOM 503 CA ALA A 33 20.886 -3.960 -9.483 1.00 1.00 C ATOM 504 C ALA A 33 19.624 -3.568 -10.258 1.00 1.00 C ATOM 505 O ALA A 33 18.529 -4.042 -9.955 1.00 1.00 O ATOM 506 CB ALA A 33 21.391 -5.347 -9.966 1.00 1.00 C ATOM 0 H ALA A 33 19.715 -3.574 -7.778 1.00 1.00 H new ATOM 0 HA ALA A 33 21.665 -3.221 -9.671 1.00 1.00 H new ATOM 0 HB1 ALA A 33 21.587 -5.310 -11.038 1.00 1.00 H new ATOM 0 HB2 ALA A 33 22.309 -5.604 -9.438 1.00 1.00 H new ATOM 0 HB3 ALA A 33 20.632 -6.102 -9.762 1.00 1.00 H new ATOM 512 N ALA A 34 19.792 -2.735 -11.286 1.00 1.00 N ATOM 513 CA ALA A 34 18.667 -2.326 -12.129 1.00 1.00 C ATOM 514 C ALA A 34 18.368 -3.414 -13.155 1.00 1.00 C ATOM 515 O ALA A 34 19.225 -3.772 -13.963 1.00 1.00 O ATOM 516 CB ALA A 34 18.997 -1.012 -12.845 1.00 1.00 C ATOM 0 H ALA A 34 20.690 -2.332 -11.554 1.00 1.00 H new ATOM 0 HA ALA A 34 17.789 -2.175 -11.500 1.00 1.00 H new ATOM 0 HB1 ALA A 34 18.154 -0.716 -13.470 1.00 1.00 H new ATOM 0 HB2 ALA A 34 19.192 -0.234 -12.107 1.00 1.00 H new ATOM 0 HB3 ALA A 34 19.880 -1.149 -13.469 1.00 1.00 H new ATOM 522 N GLN A 35 17.139 -3.933 -13.120 1.00 1.00 N ATOM 523 CA GLN A 35 16.711 -4.983 -14.052 1.00 1.00 C ATOM 524 C GLN A 35 15.221 -4.841 -14.351 1.00 1.00 C ATOM 525 O GLN A 35 14.442 -4.422 -13.495 1.00 1.00 O ATOM 526 CB GLN A 35 16.987 -6.377 -13.464 1.00 1.00 C ATOM 527 CG GLN A 35 18.498 -6.608 -13.351 1.00 1.00 C ATOM 528 CD GLN A 35 18.782 -8.038 -12.906 1.00 1.00 C ATOM 529 OE1 GLN A 35 17.867 -8.853 -12.799 1.00 1.00 O ATOM 530 NE2 GLN A 35 20.009 -8.392 -12.640 1.00 1.00 N ATOM 0 H GLN A 35 16.420 -3.644 -12.456 1.00 1.00 H new ATOM 0 HA GLN A 35 17.279 -4.873 -14.976 1.00 1.00 H new ATOM 0 HB2 GLN A 35 16.523 -6.465 -12.482 1.00 1.00 H new ATOM 0 HB3 GLN A 35 16.540 -7.143 -14.098 1.00 1.00 H new ATOM 0 HG2 GLN A 35 18.975 -6.417 -14.312 1.00 1.00 H new ATOM 0 HG3 GLN A 35 18.928 -5.905 -12.637 1.00 1.00 H new ATOM 0 HE21 GLN A 35 20.766 -7.714 -12.729 1.00 1.00 H new ATOM 0 HE22 GLN A 35 20.211 -9.346 -12.343 1.00 1.00 H new ATOM 539 N GLU A 36 14.840 -5.193 -15.574 1.00 1.00 N ATOM 540 CA GLU A 36 13.448 -5.106 -15.999 1.00 1.00 C ATOM 541 C GLU A 36 12.596 -6.160 -15.306 1.00 1.00 C ATOM 542 O GLU A 36 13.039 -7.289 -15.089 1.00 1.00 O ATOM 543 CB GLU A 36 13.353 -5.292 -17.517 1.00 1.00 C ATOM 544 CG GLU A 36 13.974 -6.637 -17.916 1.00 1.00 C ATOM 545 CD GLU A 36 13.956 -6.799 -19.435 1.00 1.00 C ATOM 546 OE1 GLU A 36 13.350 -5.972 -20.098 1.00 1.00 O ATOM 547 OE2 GLU A 36 14.557 -7.746 -19.914 1.00 1.00 O ATOM 0 H GLU A 36 15.477 -5.542 -16.290 1.00 1.00 H new ATOM 0 HA GLU A 36 13.072 -4.120 -15.724 1.00 1.00 H new ATOM 0 HB2 GLU A 36 12.310 -5.255 -17.833 1.00 1.00 H new ATOM 0 HB3 GLU A 36 13.869 -4.478 -18.025 1.00 1.00 H new ATOM 0 HG2 GLU A 36 14.999 -6.695 -17.549 1.00 1.00 H new ATOM 0 HG3 GLU A 36 13.422 -7.453 -17.450 1.00 1.00 H new ATOM 554 N GLY A 37 11.365 -5.785 -14.966 1.00 1.00 N ATOM 555 CA GLY A 37 10.438 -6.698 -14.303 1.00 1.00 C ATOM 556 C GLY A 37 10.607 -6.636 -12.796 1.00 1.00 C ATOM 557 O GLY A 37 9.769 -7.146 -12.050 1.00 1.00 O ATOM 0 H GLY A 37 10.986 -4.854 -15.139 1.00 1.00 H new ATOM 0 HA2 GLY A 37 9.413 -6.440 -14.570 1.00 1.00 H new ATOM 0 HA3 GLY A 37 10.611 -7.716 -14.651 1.00 1.00 H new ATOM 561 N GLN A 38 11.698 -6.011 -12.341 1.00 1.00 N ATOM 562 CA GLN A 38 11.967 -5.896 -10.902 1.00 1.00 C ATOM 563 C GLN A 38 11.501 -4.529 -10.362 1.00 1.00 C ATOM 564 O GLN A 38 11.568 -3.526 -11.079 1.00 1.00 O ATOM 565 CB GLN A 38 13.470 -6.069 -10.630 1.00 1.00 C ATOM 566 CG GLN A 38 13.873 -7.527 -10.878 1.00 1.00 C ATOM 567 CD GLN A 38 15.330 -7.746 -10.502 1.00 1.00 C ATOM 568 OE1 GLN A 38 15.840 -7.111 -9.579 1.00 1.00 O ATOM 569 NE2 GLN A 38 16.032 -8.615 -11.169 1.00 1.00 N ATOM 0 H GLN A 38 12.403 -5.581 -12.940 1.00 1.00 H new ATOM 0 HA GLN A 38 11.411 -6.682 -10.391 1.00 1.00 H new ATOM 0 HB2 GLN A 38 14.045 -5.407 -11.277 1.00 1.00 H new ATOM 0 HB3 GLN A 38 13.699 -5.788 -9.602 1.00 1.00 H new ATOM 0 HG2 GLN A 38 13.236 -8.191 -10.294 1.00 1.00 H new ATOM 0 HG3 GLN A 38 13.720 -7.780 -11.927 1.00 1.00 H new ATOM 0 HE21 GLN A 38 15.604 -9.138 -11.933 1.00 1.00 H new ATOM 0 HE22 GLN A 38 17.010 -8.773 -10.928 1.00 1.00 H new ATOM 578 N PRO A 39 11.050 -4.455 -9.118 1.00 1.00 N ATOM 579 CA PRO A 39 10.600 -3.164 -8.510 1.00 1.00 C ATOM 580 C PRO A 39 11.522 -1.988 -8.856 1.00 1.00 C ATOM 581 O PRO A 39 12.736 -2.054 -8.666 1.00 1.00 O ATOM 582 CB PRO A 39 10.637 -3.457 -6.995 1.00 1.00 C ATOM 583 CG PRO A 39 10.372 -4.931 -6.869 1.00 1.00 C ATOM 584 CD PRO A 39 10.897 -5.581 -8.165 1.00 1.00 C ATOM 0 HA PRO A 39 9.620 -2.861 -8.880 1.00 1.00 H new ATOM 0 HB2 PRO A 39 11.604 -3.193 -6.567 1.00 1.00 H new ATOM 0 HB3 PRO A 39 9.884 -2.875 -6.463 1.00 1.00 H new ATOM 0 HG2 PRO A 39 10.878 -5.343 -5.996 1.00 1.00 H new ATOM 0 HG3 PRO A 39 9.307 -5.124 -6.742 1.00 1.00 H new ATOM 0 HD2 PRO A 39 11.847 -6.088 -7.996 1.00 1.00 H new ATOM 0 HD3 PRO A 39 10.199 -6.328 -8.544 1.00 1.00 H new ATOM 592 N GLU A 40 10.916 -0.920 -9.355 1.00 1.00 N ATOM 593 CA GLU A 40 11.663 0.277 -9.722 1.00 1.00 C ATOM 594 C GLU A 40 12.245 0.934 -8.472 1.00 1.00 C ATOM 595 O GLU A 40 13.254 1.635 -8.540 1.00 1.00 O ATOM 596 CB GLU A 40 10.754 1.272 -10.448 1.00 1.00 C ATOM 597 CG GLU A 40 10.313 0.683 -11.791 1.00 1.00 C ATOM 598 CD GLU A 40 9.331 1.625 -12.487 1.00 1.00 C ATOM 599 OE1 GLU A 40 9.069 2.690 -11.949 1.00 1.00 O ATOM 600 OE2 GLU A 40 8.856 1.265 -13.551 1.00 1.00 O ATOM 0 H GLU A 40 9.911 -0.857 -9.515 1.00 1.00 H new ATOM 0 HA GLU A 40 12.475 -0.013 -10.389 1.00 1.00 H new ATOM 0 HB2 GLU A 40 9.882 1.497 -9.835 1.00 1.00 H new ATOM 0 HB3 GLU A 40 11.282 2.212 -10.608 1.00 1.00 H new ATOM 0 HG2 GLU A 40 11.183 0.519 -12.427 1.00 1.00 H new ATOM 0 HG3 GLU A 40 9.845 -0.289 -11.634 1.00 1.00 H new ATOM 607 N PHE A 41 11.595 0.709 -7.333 1.00 1.00 N ATOM 608 CA PHE A 41 12.050 1.291 -6.074 1.00 1.00 C ATOM 609 C PHE A 41 13.462 0.823 -5.737 1.00 1.00 C ATOM 610 O PHE A 41 14.098 1.367 -4.837 1.00 1.00 O ATOM 611 CB PHE A 41 11.104 0.896 -4.940 1.00 1.00 C ATOM 612 CG PHE A 41 9.730 1.469 -5.210 1.00 1.00 C ATOM 613 CD1 PHE A 41 9.444 2.792 -4.851 1.00 1.00 C ATOM 614 CD2 PHE A 41 8.744 0.684 -5.826 1.00 1.00 C ATOM 615 CE1 PHE A 41 8.176 3.328 -5.104 1.00 1.00 C ATOM 616 CE2 PHE A 41 7.478 1.222 -6.080 1.00 1.00 C ATOM 617 CZ PHE A 41 7.194 2.544 -5.719 1.00 1.00 C ATOM 0 H PHE A 41 10.757 0.132 -7.256 1.00 1.00 H new ATOM 0 HA PHE A 41 12.055 2.375 -6.187 1.00 1.00 H new ATOM 0 HB2 PHE A 41 11.048 -0.190 -4.860 1.00 1.00 H new ATOM 0 HB3 PHE A 41 11.484 1.267 -3.988 1.00 1.00 H new ATOM 0 HD1 PHE A 41 10.202 3.399 -4.379 1.00 1.00 H new ATOM 0 HD2 PHE A 41 8.962 -0.336 -6.104 1.00 1.00 H new ATOM 0 HE1 PHE A 41 7.956 4.348 -4.824 1.00 1.00 H new ATOM 0 HE2 PHE A 41 6.720 0.617 -6.555 1.00 1.00 H new ATOM 0 HZ PHE A 41 6.216 2.959 -5.915 1.00 1.00 H new ATOM 627 N ILE A 42 13.947 -0.190 -6.461 1.00 1.00 N ATOM 628 CA ILE A 42 15.298 -0.735 -6.244 1.00 1.00 C ATOM 629 C ILE A 42 16.199 -0.385 -7.421 1.00 1.00 C ATOM 630 O ILE A 42 17.374 -0.069 -7.242 1.00 1.00 O ATOM 631 CB ILE A 42 15.223 -2.256 -6.099 1.00 1.00 C ATOM 632 CG1 ILE A 42 14.234 -2.618 -4.972 1.00 1.00 C ATOM 633 CG2 ILE A 42 16.612 -2.826 -5.793 1.00 1.00 C ATOM 634 CD1 ILE A 42 14.642 -2.013 -3.610 1.00 1.00 C ATOM 0 H ILE A 42 13.425 -0.653 -7.205 1.00 1.00 H new ATOM 0 HA ILE A 42 15.711 -0.300 -5.334 1.00 1.00 H new ATOM 0 HB ILE A 42 14.871 -2.690 -7.035 1.00 1.00 H new ATOM 0 HG12 ILE A 42 13.238 -2.264 -5.239 1.00 1.00 H new ATOM 0 HG13 ILE A 42 14.173 -3.702 -4.881 1.00 1.00 H new ATOM 0 HG21 ILE A 42 16.547 -3.909 -5.692 1.00 1.00 H new ATOM 0 HG22 ILE A 42 17.294 -2.578 -6.606 1.00 1.00 H new ATOM 0 HG23 ILE A 42 16.985 -2.397 -4.863 1.00 1.00 H new ATOM 0 HD11 ILE A 42 13.913 -2.298 -2.852 1.00 1.00 H new ATOM 0 HD12 ILE A 42 15.626 -2.387 -3.326 1.00 1.00 H new ATOM 0 HD13 ILE A 42 14.676 -0.926 -3.690 1.00 1.00 H new ATOM 646 N ASN A 43 15.651 -0.454 -8.626 1.00 1.00 N ATOM 647 CA ASN A 43 16.428 -0.149 -9.818 1.00 1.00 C ATOM 648 C ASN A 43 16.829 1.322 -9.856 1.00 1.00 C ATOM 649 O ASN A 43 17.931 1.664 -10.285 1.00 1.00 O ATOM 650 CB ASN A 43 15.631 -0.493 -11.076 1.00 1.00 C ATOM 651 CG ASN A 43 15.196 -1.954 -11.038 1.00 1.00 C ATOM 652 OD1 ASN A 43 15.766 -2.752 -10.295 1.00 1.00 O ATOM 653 ND2 ASN A 43 14.218 -2.355 -11.803 1.00 1.00 N ATOM 0 H ASN A 43 14.681 -0.716 -8.803 1.00 1.00 H new ATOM 0 HA ASN A 43 17.334 -0.755 -9.785 1.00 1.00 H new ATOM 0 HB2 ASN A 43 14.756 0.153 -11.150 1.00 1.00 H new ATOM 0 HB3 ASN A 43 16.238 -0.309 -11.962 1.00 1.00 H new ATOM 0 HD21 ASN A 43 13.925 -3.332 -11.786 1.00 1.00 H new ATOM 0 HD22 ASN A 43 13.747 -1.692 -12.418 1.00 1.00 H new ATOM 660 N ARG A 44 15.922 2.189 -9.419 1.00 1.00 N ATOM 661 CA ARG A 44 16.179 3.619 -9.423 1.00 1.00 C ATOM 662 C ARG A 44 17.389 3.938 -8.555 1.00 1.00 C ATOM 663 O ARG A 44 18.147 4.857 -8.843 1.00 1.00 O ATOM 664 CB ARG A 44 14.924 4.358 -8.920 1.00 1.00 C ATOM 665 CG ARG A 44 13.761 4.206 -9.933 1.00 1.00 C ATOM 666 CD ARG A 44 13.907 5.183 -11.111 1.00 1.00 C ATOM 667 NE ARG A 44 12.743 5.063 -11.992 1.00 1.00 N ATOM 668 CZ ARG A 44 12.694 4.151 -12.963 1.00 1.00 C ATOM 669 NH1 ARG A 44 13.686 3.317 -13.128 1.00 1.00 N ATOM 670 NH2 ARG A 44 11.649 4.086 -13.740 1.00 1.00 N ATOM 0 H ARG A 44 15.005 1.924 -9.059 1.00 1.00 H new ATOM 0 HA ARG A 44 16.401 3.952 -10.437 1.00 1.00 H new ATOM 0 HB2 ARG A 44 14.624 3.959 -7.951 1.00 1.00 H new ATOM 0 HB3 ARG A 44 15.151 5.414 -8.774 1.00 1.00 H new ATOM 0 HG2 ARG A 44 13.736 3.183 -10.309 1.00 1.00 H new ATOM 0 HG3 ARG A 44 12.812 4.383 -9.428 1.00 1.00 H new ATOM 0 HD2 ARG A 44 13.993 6.205 -10.741 1.00 1.00 H new ATOM 0 HD3 ARG A 44 14.820 4.967 -11.666 1.00 1.00 H new ATOM 0 HE ARG A 44 11.951 5.692 -11.859 1.00 1.00 H new ATOM 0 HH11 ARG A 44 14.499 3.363 -12.514 1.00 1.00 H new ATOM 0 HH12 ARG A 44 13.648 2.619 -13.871 1.00 1.00 H new ATOM 0 HH21 ARG A 44 10.871 4.732 -13.604 1.00 1.00 H new ATOM 0 HH22 ARG A 44 11.609 3.389 -14.484 1.00 1.00 H new ATOM 684 N LEU A 45 17.557 3.180 -7.487 1.00 1.00 N ATOM 685 CA LEU A 45 18.676 3.389 -6.577 1.00 1.00 C ATOM 686 C LEU A 45 20.015 3.081 -7.263 1.00 1.00 C ATOM 687 O LEU A 45 21.013 3.757 -7.011 1.00 1.00 O ATOM 688 CB LEU A 45 18.489 2.499 -5.332 1.00 1.00 C ATOM 689 CG LEU A 45 17.468 3.135 -4.372 1.00 1.00 C ATOM 690 CD1 LEU A 45 16.153 3.426 -5.118 1.00 1.00 C ATOM 691 CD2 LEU A 45 17.217 2.166 -3.211 1.00 1.00 C ATOM 0 H LEU A 45 16.936 2.414 -7.226 1.00 1.00 H new ATOM 0 HA LEU A 45 18.696 4.437 -6.277 1.00 1.00 H new ATOM 0 HB2 LEU A 45 18.148 1.508 -5.632 1.00 1.00 H new ATOM 0 HB3 LEU A 45 19.444 2.367 -4.823 1.00 1.00 H new ATOM 0 HG LEU A 45 17.858 4.077 -3.986 1.00 1.00 H new ATOM 0 HD11 LEU A 45 15.437 3.876 -4.431 1.00 1.00 H new ATOM 0 HD12 LEU A 45 16.346 4.113 -5.942 1.00 1.00 H new ATOM 0 HD13 LEU A 45 15.744 2.495 -5.511 1.00 1.00 H new ATOM 0 HD21 LEU A 45 16.495 2.603 -2.522 1.00 1.00 H new ATOM 0 HD22 LEU A 45 16.825 1.226 -3.600 1.00 1.00 H new ATOM 0 HD23 LEU A 45 18.153 1.978 -2.685 1.00 1.00 H new ATOM 703 N PHE A 46 20.039 2.062 -8.122 1.00 1.00 N ATOM 704 CA PHE A 46 21.263 1.686 -8.816 1.00 1.00 C ATOM 705 C PHE A 46 21.601 2.686 -9.921 1.00 1.00 C ATOM 706 O PHE A 46 22.455 2.425 -10.768 1.00 1.00 O ATOM 707 CB PHE A 46 21.072 0.293 -9.417 1.00 1.00 C ATOM 708 CG PHE A 46 22.371 -0.171 -10.032 1.00 1.00 C ATOM 709 CD1 PHE A 46 23.405 -0.591 -9.194 1.00 1.00 C ATOM 710 CD2 PHE A 46 22.548 -0.172 -11.423 1.00 1.00 C ATOM 711 CE1 PHE A 46 24.619 -1.014 -9.740 1.00 1.00 C ATOM 712 CE2 PHE A 46 23.762 -0.598 -11.970 1.00 1.00 C ATOM 713 CZ PHE A 46 24.799 -1.018 -11.129 1.00 1.00 C ATOM 0 H PHE A 46 19.228 1.487 -8.351 1.00 1.00 H new ATOM 0 HA PHE A 46 22.090 1.684 -8.105 1.00 1.00 H new ATOM 0 HB2 PHE A 46 20.752 -0.407 -8.645 1.00 1.00 H new ATOM 0 HB3 PHE A 46 20.287 0.316 -10.173 1.00 1.00 H new ATOM 0 HD1 PHE A 46 23.266 -0.589 -8.123 1.00 1.00 H new ATOM 0 HD2 PHE A 46 21.748 0.156 -12.070 1.00 1.00 H new ATOM 0 HE1 PHE A 46 25.419 -1.338 -9.091 1.00 1.00 H new ATOM 0 HE2 PHE A 46 23.900 -0.603 -13.041 1.00 1.00 H new ATOM 0 HZ PHE A 46 25.738 -1.345 -11.551 1.00 1.00 H new ATOM 723 N GLU A 47 20.932 3.836 -9.898 1.00 1.00 N ATOM 724 CA GLU A 47 21.172 4.884 -10.905 1.00 1.00 C ATOM 725 C GLU A 47 22.308 5.798 -10.467 1.00 1.00 C ATOM 726 O GLU A 47 22.917 6.481 -11.289 1.00 1.00 O ATOM 727 CB GLU A 47 19.905 5.715 -11.113 1.00 1.00 C ATOM 728 CG GLU A 47 18.788 4.812 -11.649 1.00 1.00 C ATOM 729 CD GLU A 47 19.123 4.333 -13.057 1.00 1.00 C ATOM 730 OE1 GLU A 47 19.956 4.959 -13.691 1.00 1.00 O ATOM 731 OE2 GLU A 47 18.546 3.345 -13.479 1.00 1.00 O ATOM 0 H GLU A 47 20.224 4.071 -9.202 1.00 1.00 H new ATOM 0 HA GLU A 47 21.447 4.399 -11.842 1.00 1.00 H new ATOM 0 HB2 GLU A 47 19.598 6.173 -10.173 1.00 1.00 H new ATOM 0 HB3 GLU A 47 20.100 6.527 -11.814 1.00 1.00 H new ATOM 0 HG2 GLU A 47 18.655 3.955 -10.988 1.00 1.00 H new ATOM 0 HG3 GLU A 47 17.844 5.357 -11.658 1.00 1.00 H new ATOM 738 N ILE A 48 22.583 5.806 -9.161 1.00 1.00 N ATOM 739 CA ILE A 48 23.650 6.641 -8.581 1.00 1.00 C ATOM 740 C ILE A 48 24.666 5.785 -7.840 1.00 1.00 C ATOM 741 O ILE A 48 24.311 4.812 -7.177 1.00 1.00 O ATOM 742 CB ILE A 48 23.042 7.652 -7.602 1.00 1.00 C ATOM 743 CG1 ILE A 48 22.355 6.898 -6.408 1.00 1.00 C ATOM 744 CG2 ILE A 48 22.023 8.521 -8.361 1.00 1.00 C ATOM 745 CD1 ILE A 48 23.236 6.938 -5.148 1.00 1.00 C ATOM 0 H ILE A 48 22.080 5.241 -8.477 1.00 1.00 H new ATOM 0 HA ILE A 48 24.153 7.163 -9.395 1.00 1.00 H new ATOM 0 HB ILE A 48 23.823 8.291 -7.189 1.00 1.00 H new ATOM 0 HG12 ILE A 48 21.388 7.354 -6.194 1.00 1.00 H new ATOM 0 HG13 ILE A 48 22.164 5.862 -6.689 1.00 1.00 H new ATOM 0 HG21 ILE A 48 21.582 9.246 -7.677 1.00 1.00 H new ATOM 0 HG22 ILE A 48 22.526 9.047 -9.172 1.00 1.00 H new ATOM 0 HG23 ILE A 48 21.238 7.886 -8.772 1.00 1.00 H new ATOM 0 HD11 ILE A 48 22.736 6.408 -4.337 1.00 1.00 H new ATOM 0 HD12 ILE A 48 24.193 6.460 -5.358 1.00 1.00 H new ATOM 0 HD13 ILE A 48 23.405 7.974 -4.855 1.00 1.00 H new ATOM 757 N GLU A 49 25.929 6.168 -7.955 1.00 1.00 N ATOM 758 CA GLU A 49 27.013 5.452 -7.290 1.00 1.00 C ATOM 759 C GLU A 49 26.940 5.628 -5.777 1.00 1.00 C ATOM 760 O GLU A 49 26.511 6.671 -5.282 1.00 1.00 O ATOM 761 CB GLU A 49 28.375 5.973 -7.783 1.00 1.00 C ATOM 762 CG GLU A 49 28.488 7.509 -7.593 1.00 1.00 C ATOM 763 CD GLU A 49 27.700 8.245 -8.676 1.00 1.00 C ATOM 764 OE1 GLU A 49 27.871 7.909 -9.837 1.00 1.00 O ATOM 765 OE2 GLU A 49 26.933 9.125 -8.326 1.00 1.00 O ATOM 0 H GLU A 49 26.231 6.973 -8.504 1.00 1.00 H new ATOM 0 HA GLU A 49 26.908 4.394 -7.532 1.00 1.00 H new ATOM 0 HB2 GLU A 49 29.177 5.476 -7.237 1.00 1.00 H new ATOM 0 HB3 GLU A 49 28.504 5.723 -8.836 1.00 1.00 H new ATOM 0 HG2 GLU A 49 28.111 7.788 -6.609 1.00 1.00 H new ATOM 0 HG3 GLU A 49 29.535 7.809 -7.630 1.00 1.00 H new ATOM 772 N GLY A 50 27.391 4.608 -5.043 1.00 1.00 N ATOM 773 CA GLY A 50 27.406 4.650 -3.576 1.00 1.00 C ATOM 774 C GLY A 50 26.656 3.471 -2.981 1.00 1.00 C ATOM 775 O GLY A 50 27.050 2.945 -1.944 1.00 1.00 O ATOM 0 H GLY A 50 27.752 3.740 -5.440 1.00 1.00 H new ATOM 0 HA2 GLY A 50 28.436 4.645 -3.221 1.00 1.00 H new ATOM 0 HA3 GLY A 50 26.955 5.581 -3.232 1.00 1.00 H new ATOM 779 N VAL A 51 25.573 3.055 -3.633 1.00 1.00 N ATOM 780 CA VAL A 51 24.788 1.938 -3.128 1.00 1.00 C ATOM 781 C VAL A 51 25.657 0.685 -2.992 1.00 1.00 C ATOM 782 O VAL A 51 26.142 0.135 -3.977 1.00 1.00 O ATOM 783 CB VAL A 51 23.612 1.666 -4.094 1.00 1.00 C ATOM 784 CG1 VAL A 51 22.485 2.684 -3.852 1.00 1.00 C ATOM 785 CG2 VAL A 51 24.098 1.784 -5.555 1.00 1.00 C ATOM 0 H VAL A 51 25.225 3.468 -4.498 1.00 1.00 H new ATOM 0 HA VAL A 51 24.401 2.192 -2.141 1.00 1.00 H new ATOM 0 HB VAL A 51 23.235 0.659 -3.914 1.00 1.00 H new ATOM 0 HG11 VAL A 51 21.661 2.484 -4.537 1.00 1.00 H new ATOM 0 HG12 VAL A 51 22.132 2.598 -2.825 1.00 1.00 H new ATOM 0 HG13 VAL A 51 22.863 3.692 -4.023 1.00 1.00 H new ATOM 0 HG21 VAL A 51 23.266 1.591 -6.232 1.00 1.00 H new ATOM 0 HG22 VAL A 51 24.483 2.788 -5.730 1.00 1.00 H new ATOM 0 HG23 VAL A 51 24.888 1.055 -5.735 1.00 1.00 H new ATOM 795 N LYS A 52 25.846 0.227 -1.756 1.00 1.00 N ATOM 796 CA LYS A 52 26.644 -0.974 -1.500 1.00 1.00 C ATOM 797 C LYS A 52 25.731 -2.188 -1.435 1.00 1.00 C ATOM 798 O LYS A 52 26.039 -3.246 -1.986 1.00 1.00 O ATOM 799 CB LYS A 52 27.395 -0.821 -0.175 1.00 1.00 C ATOM 800 CG LYS A 52 28.438 0.289 -0.311 1.00 1.00 C ATOM 801 CD LYS A 52 29.197 0.441 1.005 1.00 1.00 C ATOM 802 CE LYS A 52 30.223 1.564 0.867 1.00 1.00 C ATOM 803 NZ LYS A 52 30.959 1.723 2.153 1.00 1.00 N ATOM 0 H LYS A 52 25.461 0.665 -0.919 1.00 1.00 H new ATOM 0 HA LYS A 52 27.364 -1.108 -2.307 1.00 1.00 H new ATOM 0 HB2 LYS A 52 26.696 -0.583 0.627 1.00 1.00 H new ATOM 0 HB3 LYS A 52 27.879 -1.760 0.092 1.00 1.00 H new ATOM 0 HG2 LYS A 52 29.132 0.053 -1.118 1.00 1.00 H new ATOM 0 HG3 LYS A 52 27.952 1.229 -0.573 1.00 1.00 H new ATOM 0 HD2 LYS A 52 28.503 0.664 1.815 1.00 1.00 H new ATOM 0 HD3 LYS A 52 29.696 -0.494 1.261 1.00 1.00 H new ATOM 0 HE2 LYS A 52 30.921 1.337 0.061 1.00 1.00 H new ATOM 0 HE3 LYS A 52 29.724 2.497 0.603 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 31.658 2.487 2.061 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 30.287 1.958 2.911 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 31.446 0.834 2.386 1.00 1.00 H new ATOM 817 N SER A 53 24.595 -2.026 -0.758 1.00 1.00 N ATOM 818 CA SER A 53 23.629 -3.107 -0.625 1.00 1.00 C ATOM 819 C SER A 53 22.285 -2.567 -0.139 1.00 1.00 C ATOM 820 O SER A 53 22.208 -1.465 0.406 1.00 1.00 O ATOM 821 CB SER A 53 24.163 -4.155 0.350 1.00 1.00 C ATOM 822 OG SER A 53 24.540 -3.521 1.564 1.00 1.00 O ATOM 0 H SER A 53 24.325 -1.158 -0.296 1.00 1.00 H new ATOM 0 HA SER A 53 23.479 -3.569 -1.601 1.00 1.00 H new ATOM 0 HB2 SER A 53 23.401 -4.910 0.543 1.00 1.00 H new ATOM 0 HB3 SER A 53 25.019 -4.670 -0.085 1.00 1.00 H new ATOM 0 HG SER A 53 24.881 -4.192 2.191 1.00 1.00 H new ATOM 828 N ILE A 54 21.229 -3.363 -0.334 1.00 1.00 N ATOM 829 CA ILE A 54 19.870 -2.989 0.092 1.00 1.00 C ATOM 830 C ILE A 54 19.249 -4.140 0.864 1.00 1.00 C ATOM 831 O ILE A 54 19.362 -5.293 0.459 1.00 1.00 O ATOM 832 CB ILE A 54 19.003 -2.652 -1.126 1.00 1.00 C ATOM 833 CG1 ILE A 54 19.634 -1.465 -1.871 1.00 1.00 C ATOM 834 CG2 ILE A 54 17.578 -2.282 -0.664 1.00 1.00 C ATOM 835 CD1 ILE A 54 18.948 -1.272 -3.219 1.00 1.00 C ATOM 0 H ILE A 54 21.287 -4.276 -0.786 1.00 1.00 H new ATOM 0 HA ILE A 54 19.927 -2.109 0.732 1.00 1.00 H new ATOM 0 HB ILE A 54 18.946 -3.515 -1.790 1.00 1.00 H new ATOM 0 HG12 ILE A 54 19.541 -0.558 -1.273 1.00 1.00 H new ATOM 0 HG13 ILE A 54 20.699 -1.642 -2.018 1.00 1.00 H new ATOM 0 HG21 ILE A 54 16.964 -2.043 -1.533 1.00 1.00 H new ATOM 0 HG22 ILE A 54 17.138 -3.124 -0.130 1.00 1.00 H new ATOM 0 HG23 ILE A 54 17.623 -1.417 -0.003 1.00 1.00 H new ATOM 0 HD11 ILE A 54 19.401 -0.429 -3.740 1.00 1.00 H new ATOM 0 HD12 ILE A 54 19.064 -2.175 -3.819 1.00 1.00 H new ATOM 0 HD13 ILE A 54 17.888 -1.074 -3.063 1.00 1.00 H new ATOM 847 N PHE A 55 18.593 -3.814 1.980 1.00 1.00 N ATOM 848 CA PHE A 55 17.945 -4.824 2.830 1.00 1.00 C ATOM 849 C PHE A 55 16.429 -4.671 2.753 1.00 1.00 C ATOM 850 O PHE A 55 15.898 -3.574 2.929 1.00 1.00 O ATOM 851 CB PHE A 55 18.418 -4.656 4.299 1.00 1.00 C ATOM 852 CG PHE A 55 18.418 -6.003 5.001 1.00 1.00 C ATOM 853 CD1 PHE A 55 17.238 -6.505 5.564 1.00 1.00 C ATOM 854 CD2 PHE A 55 19.598 -6.752 5.068 1.00 1.00 C ATOM 855 CE1 PHE A 55 17.243 -7.758 6.190 1.00 1.00 C ATOM 856 CE2 PHE A 55 19.602 -8.000 5.696 1.00 1.00 C ATOM 857 CZ PHE A 55 18.425 -8.502 6.258 1.00 1.00 C ATOM 0 H PHE A 55 18.495 -2.857 2.319 1.00 1.00 H new ATOM 0 HA PHE A 55 18.221 -5.818 2.477 1.00 1.00 H new ATOM 0 HB2 PHE A 55 19.419 -4.225 4.321 1.00 1.00 H new ATOM 0 HB3 PHE A 55 17.761 -3.963 4.824 1.00 1.00 H new ATOM 0 HD1 PHE A 55 16.327 -5.928 5.516 1.00 1.00 H new ATOM 0 HD2 PHE A 55 20.508 -6.365 4.633 1.00 1.00 H new ATOM 0 HE1 PHE A 55 16.333 -8.150 6.620 1.00 1.00 H new ATOM 0 HE2 PHE A 55 20.514 -8.576 5.747 1.00 1.00 H new ATOM 0 HZ PHE A 55 18.428 -9.466 6.745 1.00 1.00 H new ATOM 867 N TYR A 56 15.742 -5.784 2.494 1.00 1.00 N ATOM 868 CA TYR A 56 14.279 -5.799 2.397 1.00 1.00 C ATOM 869 C TYR A 56 13.687 -6.814 3.367 1.00 1.00 C ATOM 870 O TYR A 56 13.944 -8.014 3.263 1.00 1.00 O ATOM 871 CB TYR A 56 13.876 -6.144 0.967 1.00 1.00 C ATOM 872 CG TYR A 56 12.367 -6.210 0.863 1.00 1.00 C ATOM 873 CD1 TYR A 56 11.702 -7.389 1.219 1.00 1.00 C ATOM 874 CD2 TYR A 56 11.635 -5.100 0.428 1.00 1.00 C ATOM 875 CE1 TYR A 56 10.309 -7.459 1.142 1.00 1.00 C ATOM 876 CE2 TYR A 56 10.240 -5.169 0.353 1.00 1.00 C ATOM 877 CZ TYR A 56 9.577 -6.350 0.708 1.00 1.00 C ATOM 878 OH TYR A 56 8.201 -6.417 0.634 1.00 1.00 O ATOM 0 H TYR A 56 16.178 -6.694 2.346 1.00 1.00 H new ATOM 0 HA TYR A 56 13.894 -4.814 2.659 1.00 1.00 H new ATOM 0 HB2 TYR A 56 14.265 -5.394 0.278 1.00 1.00 H new ATOM 0 HB3 TYR A 56 14.312 -7.100 0.677 1.00 1.00 H new ATOM 0 HD1 TYR A 56 12.267 -8.246 1.554 1.00 1.00 H new ATOM 0 HD2 TYR A 56 12.147 -4.190 0.150 1.00 1.00 H new ATOM 0 HE1 TYR A 56 9.798 -8.370 1.418 1.00 1.00 H new ATOM 0 HE2 TYR A 56 9.674 -4.311 0.021 1.00 1.00 H new ATOM 0 HH TYR A 56 7.848 -5.560 0.315 1.00 1.00 H new ATOM 888 N VAL A 57 12.880 -6.320 4.302 1.00 1.00 N ATOM 889 CA VAL A 57 12.234 -7.173 5.280 1.00 1.00 C ATOM 890 C VAL A 57 11.104 -6.416 5.966 1.00 1.00 C ATOM 891 O VAL A 57 11.188 -5.205 6.176 1.00 1.00 O ATOM 892 CB VAL A 57 13.260 -7.665 6.305 1.00 1.00 C ATOM 893 CG1 VAL A 57 13.820 -6.479 7.096 1.00 1.00 C ATOM 894 CG2 VAL A 57 12.593 -8.657 7.263 1.00 1.00 C ATOM 0 H VAL A 57 12.661 -5.328 4.398 1.00 1.00 H new ATOM 0 HA VAL A 57 11.810 -8.041 4.775 1.00 1.00 H new ATOM 0 HB VAL A 57 14.078 -8.161 5.782 1.00 1.00 H new ATOM 0 HG11 VAL A 57 14.549 -6.838 7.823 1.00 1.00 H new ATOM 0 HG12 VAL A 57 14.303 -5.781 6.412 1.00 1.00 H new ATOM 0 HG13 VAL A 57 13.007 -5.973 7.617 1.00 1.00 H new ATOM 0 HG21 VAL A 57 13.324 -9.006 7.992 1.00 1.00 H new ATOM 0 HG22 VAL A 57 11.770 -8.165 7.782 1.00 1.00 H new ATOM 0 HG23 VAL A 57 12.209 -9.507 6.698 1.00 1.00 H new ATOM 904 N LEU A 58 10.058 -7.142 6.323 1.00 1.00 N ATOM 905 CA LEU A 58 8.913 -6.556 6.994 1.00 1.00 C ATOM 906 C LEU A 58 8.231 -5.509 6.098 1.00 1.00 C ATOM 907 O LEU A 58 7.943 -5.779 4.932 1.00 1.00 O ATOM 908 CB LEU A 58 9.368 -5.940 8.339 1.00 1.00 C ATOM 909 CG LEU A 58 8.172 -5.823 9.321 1.00 1.00 C ATOM 910 CD1 LEU A 58 7.684 -7.224 9.795 1.00 1.00 C ATOM 911 CD2 LEU A 58 8.596 -4.976 10.531 1.00 1.00 C ATOM 0 H LEU A 58 9.980 -8.145 6.157 1.00 1.00 H new ATOM 0 HA LEU A 58 8.176 -7.333 7.197 1.00 1.00 H new ATOM 0 HB2 LEU A 58 10.149 -6.558 8.782 1.00 1.00 H new ATOM 0 HB3 LEU A 58 9.800 -4.955 8.166 1.00 1.00 H new ATOM 0 HG LEU A 58 7.342 -5.344 8.802 1.00 1.00 H new ATOM 0 HD11 LEU A 58 6.846 -7.104 10.481 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.366 -7.810 8.932 1.00 1.00 H new ATOM 0 HD13 LEU A 58 8.498 -7.740 10.303 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.760 -4.890 11.225 1.00 1.00 H new ATOM 0 HD22 LEU A 58 9.437 -5.454 11.033 1.00 1.00 H new ATOM 0 HD23 LEU A 58 8.892 -3.983 10.194 1.00 1.00 H new ATOM 923 N ASP A 59 7.961 -4.321 6.660 1.00 1.00 N ATOM 924 CA ASP A 59 7.305 -3.230 5.945 1.00 1.00 C ATOM 925 C ASP A 59 8.243 -2.032 5.795 1.00 1.00 C ATOM 926 O ASP A 59 7.789 -0.905 5.643 1.00 1.00 O ATOM 927 CB ASP A 59 6.042 -2.804 6.701 1.00 1.00 C ATOM 928 CG ASP A 59 6.394 -2.345 8.113 1.00 1.00 C ATOM 929 OD1 ASP A 59 7.539 -2.502 8.504 1.00 1.00 O ATOM 930 OD2 ASP A 59 5.510 -1.837 8.784 1.00 1.00 O ATOM 0 H ASP A 59 8.195 -4.095 7.627 1.00 1.00 H new ATOM 0 HA ASP A 59 7.037 -3.584 4.950 1.00 1.00 H new ATOM 0 HB2 ASP A 59 5.544 -1.997 6.163 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.340 -3.637 6.747 1.00 1.00 H new ATOM 935 N PHE A 60 9.557 -2.279 5.854 1.00 1.00 N ATOM 936 CA PHE A 60 10.559 -1.203 5.728 1.00 1.00 C ATOM 937 C PHE A 60 11.802 -1.736 5.021 1.00 1.00 C ATOM 938 O PHE A 60 12.038 -2.944 4.987 1.00 1.00 O ATOM 939 CB PHE A 60 10.958 -0.666 7.119 1.00 1.00 C ATOM 940 CG PHE A 60 11.774 -1.706 7.870 1.00 1.00 C ATOM 941 CD1 PHE A 60 13.169 -1.735 7.722 1.00 1.00 C ATOM 942 CD2 PHE A 60 11.143 -2.639 8.695 1.00 1.00 C ATOM 943 CE1 PHE A 60 13.927 -2.697 8.398 1.00 1.00 C ATOM 944 CE2 PHE A 60 11.903 -3.604 9.371 1.00 1.00 C ATOM 945 CZ PHE A 60 13.294 -3.631 9.223 1.00 1.00 C ATOM 0 H PHE A 60 9.954 -3.209 5.987 1.00 1.00 H new ATOM 0 HA PHE A 60 10.121 -0.391 5.147 1.00 1.00 H new ATOM 0 HB2 PHE A 60 11.537 0.251 7.010 1.00 1.00 H new ATOM 0 HB3 PHE A 60 10.064 -0.413 7.689 1.00 1.00 H new ATOM 0 HD1 PHE A 60 13.659 -1.013 7.085 1.00 1.00 H new ATOM 0 HD2 PHE A 60 10.070 -2.617 8.812 1.00 1.00 H new ATOM 0 HE1 PHE A 60 15.001 -2.718 8.283 1.00 1.00 H new ATOM 0 HE2 PHE A 60 11.414 -4.327 10.007 1.00 1.00 H new ATOM 0 HZ PHE A 60 13.879 -4.373 9.746 1.00 1.00 H new ATOM 955 N ILE A 61 12.599 -0.823 4.466 1.00 1.00 N ATOM 956 CA ILE A 61 13.833 -1.182 3.770 1.00 1.00 C ATOM 957 C ILE A 61 14.974 -0.297 4.253 1.00 1.00 C ATOM 958 O ILE A 61 14.757 0.860 4.615 1.00 1.00 O ATOM 959 CB ILE A 61 13.622 -1.011 2.259 1.00 1.00 C ATOM 960 CG1 ILE A 61 13.259 0.442 1.933 1.00 1.00 C ATOM 961 CG2 ILE A 61 12.473 -1.919 1.804 1.00 1.00 C ATOM 962 CD1 ILE A 61 13.162 0.623 0.415 1.00 1.00 C ATOM 0 H ILE A 61 12.409 0.179 4.486 1.00 1.00 H new ATOM 0 HA ILE A 61 14.090 -2.220 3.981 1.00 1.00 H new ATOM 0 HB ILE A 61 14.545 -1.277 1.743 1.00 1.00 H new ATOM 0 HG12 ILE A 61 12.310 0.704 2.401 1.00 1.00 H new ATOM 0 HG13 ILE A 61 14.012 1.115 2.342 1.00 1.00 H new ATOM 0 HG21 ILE A 61 12.319 -1.801 0.731 1.00 1.00 H new ATOM 0 HG22 ILE A 61 12.721 -2.957 2.023 1.00 1.00 H new ATOM 0 HG23 ILE A 61 11.561 -1.645 2.334 1.00 1.00 H new ATOM 0 HD11 ILE A 61 12.904 1.657 0.188 1.00 1.00 H new ATOM 0 HD12 ILE A 61 14.121 0.379 -0.042 1.00 1.00 H new ATOM 0 HD13 ILE A 61 12.392 -0.039 0.018 1.00 1.00 H new ATOM 974 N SER A 62 16.190 -0.840 4.238 1.00 1.00 N ATOM 975 CA SER A 62 17.390 -0.097 4.651 1.00 1.00 C ATOM 976 C SER A 62 18.296 0.071 3.446 1.00 1.00 C ATOM 977 O SER A 62 18.688 -0.911 2.815 1.00 1.00 O ATOM 978 CB SER A 62 18.140 -0.854 5.745 1.00 1.00 C ATOM 979 OG SER A 62 19.246 -0.074 6.184 1.00 1.00 O ATOM 0 H SER A 62 16.376 -1.799 3.943 1.00 1.00 H new ATOM 0 HA SER A 62 17.092 0.876 5.043 1.00 1.00 H new ATOM 0 HB2 SER A 62 17.473 -1.063 6.581 1.00 1.00 H new ATOM 0 HB3 SER A 62 18.486 -1.815 5.366 1.00 1.00 H new ATOM 0 HG SER A 62 19.728 -0.557 6.887 1.00 1.00 H new ATOM 985 N ILE A 63 18.611 1.323 3.116 1.00 1.00 N ATOM 986 CA ILE A 63 19.462 1.628 1.962 1.00 1.00 C ATOM 987 C ILE A 63 20.843 2.060 2.442 1.00 1.00 C ATOM 988 O ILE A 63 20.988 3.095 3.092 1.00 1.00 O ATOM 989 CB ILE A 63 18.825 2.766 1.145 1.00 1.00 C ATOM 990 CG1 ILE A 63 17.359 2.418 0.818 1.00 1.00 C ATOM 991 CG2 ILE A 63 19.600 2.949 -0.169 1.00 1.00 C ATOM 992 CD1 ILE A 63 16.653 3.649 0.242 1.00 1.00 C ATOM 0 H ILE A 63 18.291 2.144 3.630 1.00 1.00 H new ATOM 0 HA ILE A 63 19.559 0.739 1.339 1.00 1.00 H new ATOM 0 HB ILE A 63 18.860 3.686 1.728 1.00 1.00 H new ATOM 0 HG12 ILE A 63 17.321 1.597 0.102 1.00 1.00 H new ATOM 0 HG13 ILE A 63 16.846 2.080 1.718 1.00 1.00 H new ATOM 0 HG21 ILE A 63 19.149 3.755 -0.748 1.00 1.00 H new ATOM 0 HG22 ILE A 63 20.638 3.198 0.052 1.00 1.00 H new ATOM 0 HG23 ILE A 63 19.563 2.024 -0.745 1.00 1.00 H new ATOM 0 HD11 ILE A 63 15.617 3.400 0.012 1.00 1.00 H new ATOM 0 HD12 ILE A 63 16.678 4.458 0.972 1.00 1.00 H new ATOM 0 HD13 ILE A 63 17.161 3.967 -0.669 1.00 1.00 H new ATOM 1004 N ASP A 64 21.855 1.258 2.111 1.00 1.00 N ATOM 1005 CA ASP A 64 23.241 1.552 2.497 1.00 1.00 C ATOM 1006 C ASP A 64 23.992 2.161 1.324 1.00 1.00 C ATOM 1007 O ASP A 64 24.189 1.504 0.302 1.00 1.00 O ATOM 1008 CB ASP A 64 23.952 0.267 2.939 1.00 1.00 C ATOM 1009 CG ASP A 64 25.297 0.602 3.586 1.00 1.00 C ATOM 1010 OD1 ASP A 64 25.690 1.758 3.537 1.00 1.00 O ATOM 1011 OD2 ASP A 64 25.914 -0.303 4.122 1.00 1.00 O ATOM 0 H ASP A 64 21.744 0.397 1.575 1.00 1.00 H new ATOM 0 HA ASP A 64 23.226 2.260 3.326 1.00 1.00 H new ATOM 0 HB2 ASP A 64 23.326 -0.279 3.645 1.00 1.00 H new ATOM 0 HB3 ASP A 64 24.106 -0.386 2.080 1.00 1.00 H new ATOM 1016 N LYS A 65 24.404 3.425 1.467 1.00 1.00 N ATOM 1017 CA LYS A 65 25.133 4.129 0.407 1.00 1.00 C ATOM 1018 C LYS A 65 26.451 4.685 0.934 1.00 1.00 C ATOM 1019 O LYS A 65 26.585 4.956 2.122 1.00 1.00 O ATOM 1020 CB LYS A 65 24.277 5.285 -0.118 1.00 1.00 C ATOM 1021 CG LYS A 65 22.835 4.803 -0.346 1.00 1.00 C ATOM 1022 CD LYS A 65 22.053 5.835 -1.168 1.00 1.00 C ATOM 1023 CE LYS A 65 21.895 7.147 -0.392 1.00 1.00 C ATOM 1024 NZ LYS A 65 20.923 8.021 -1.106 1.00 1.00 N ATOM 0 H LYS A 65 24.245 3.982 2.307 1.00 1.00 H new ATOM 0 HA LYS A 65 25.345 3.422 -0.395 1.00 1.00 H new ATOM 0 HB2 LYS A 65 24.286 6.109 0.595 1.00 1.00 H new ATOM 0 HB3 LYS A 65 24.695 5.665 -1.050 1.00 1.00 H new ATOM 0 HG2 LYS A 65 22.842 3.845 -0.865 1.00 1.00 H new ATOM 0 HG3 LYS A 65 22.342 4.642 0.613 1.00 1.00 H new ATOM 0 HD2 LYS A 65 22.571 6.024 -2.108 1.00 1.00 H new ATOM 0 HD3 LYS A 65 21.070 5.436 -1.420 1.00 1.00 H new ATOM 0 HE2 LYS A 65 21.546 6.945 0.621 1.00 1.00 H new ATOM 0 HE3 LYS A 65 22.858 7.650 -0.303 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 20.630 8.798 -0.480 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 21.370 8.414 -1.959 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 20.089 7.463 -1.378 1.00 1.00 H new ATOM 1038 N GLU A 66 27.426 4.841 0.047 1.00 1.00 N ATOM 1039 CA GLU A 66 28.722 5.368 0.446 1.00 1.00 C ATOM 1040 C GLU A 66 28.560 6.787 0.991 1.00 1.00 C ATOM 1041 O GLU A 66 27.510 7.410 0.833 1.00 1.00 O ATOM 1042 CB GLU A 66 29.670 5.356 -0.767 1.00 1.00 C ATOM 1043 CG GLU A 66 31.098 5.748 -0.347 1.00 1.00 C ATOM 1044 CD GLU A 66 32.080 5.485 -1.484 1.00 1.00 C ATOM 1045 OE1 GLU A 66 31.630 5.265 -2.597 1.00 1.00 O ATOM 1046 OE2 GLU A 66 33.273 5.506 -1.223 1.00 1.00 O ATOM 0 H GLU A 66 27.344 4.612 -0.944 1.00 1.00 H new ATOM 0 HA GLU A 66 29.147 4.745 1.233 1.00 1.00 H new ATOM 0 HB2 GLU A 66 29.678 4.364 -1.218 1.00 1.00 H new ATOM 0 HB3 GLU A 66 29.306 6.049 -1.526 1.00 1.00 H new ATOM 0 HG2 GLU A 66 31.126 6.802 -0.071 1.00 1.00 H new ATOM 0 HG3 GLU A 66 31.393 5.180 0.535 1.00 1.00 H new ATOM 1053 N ASP A 67 29.610 7.290 1.623 1.00 1.00 N ATOM 1054 CA ASP A 67 29.594 8.633 2.179 1.00 1.00 C ATOM 1055 C ASP A 67 29.498 9.676 1.066 1.00 1.00 C ATOM 1056 O ASP A 67 29.145 10.827 1.318 1.00 1.00 O ATOM 1057 CB ASP A 67 30.864 8.873 2.997 1.00 1.00 C ATOM 1058 CG ASP A 67 30.821 10.260 3.630 1.00 1.00 C ATOM 1059 OD1 ASP A 67 29.999 10.464 4.508 1.00 1.00 O ATOM 1060 OD2 ASP A 67 31.609 11.099 3.227 1.00 1.00 O ATOM 0 H ASP A 67 30.486 6.786 1.763 1.00 1.00 H new ATOM 0 HA ASP A 67 28.721 8.728 2.825 1.00 1.00 H new ATOM 0 HB2 ASP A 67 30.956 8.113 3.773 1.00 1.00 H new ATOM 0 HB3 ASP A 67 31.742 8.783 2.357 1.00 1.00 H new ATOM 1065 N ASN A 68 29.827 9.277 -0.170 1.00 1.00 N ATOM 1066 CA ASN A 68 29.785 10.201 -1.308 1.00 1.00 C ATOM 1067 C ASN A 68 28.383 10.254 -1.911 1.00 1.00 C ATOM 1068 O ASN A 68 28.156 10.915 -2.925 1.00 1.00 O ATOM 1069 CB ASN A 68 30.784 9.749 -2.377 1.00 1.00 C ATOM 1070 CG ASN A 68 30.876 10.798 -3.480 1.00 1.00 C ATOM 1071 OD1 ASN A 68 30.793 11.995 -3.207 1.00 1.00 O ATOM 1072 ND2 ASN A 68 31.045 10.420 -4.717 1.00 1.00 N ATOM 0 H ASN A 68 30.122 8.329 -0.405 1.00 1.00 H new ATOM 0 HA ASN A 68 30.050 11.197 -0.954 1.00 1.00 H new ATOM 0 HB2 ASN A 68 31.765 9.594 -1.928 1.00 1.00 H new ATOM 0 HB3 ASN A 68 30.472 8.793 -2.798 1.00 1.00 H new ATOM 0 HD21 ASN A 68 31.108 11.117 -5.459 1.00 1.00 H new ATOM 0 HD22 ASN A 68 31.114 9.428 -4.942 1.00 1.00 H new ATOM 1079 N ALA A 69 27.444 9.556 -1.272 1.00 1.00 N ATOM 1080 CA ALA A 69 26.051 9.520 -1.729 1.00 1.00 C ATOM 1081 C ALA A 69 25.223 10.532 -0.979 1.00 1.00 C ATOM 1082 O ALA A 69 25.498 10.852 0.179 1.00 1.00 O ATOM 1083 CB ALA A 69 25.473 8.121 -1.512 1.00 1.00 C ATOM 0 H ALA A 69 27.622 9.005 -0.432 1.00 1.00 H new ATOM 0 HA ALA A 69 26.026 9.764 -2.791 1.00 1.00 H new ATOM 0 HB1 ALA A 69 24.438 8.098 -1.853 1.00 1.00 H new ATOM 0 HB2 ALA A 69 26.057 7.394 -2.077 1.00 1.00 H new ATOM 0 HB3 ALA A 69 25.511 7.872 -0.452 1.00 1.00 H new ATOM 1089 N ASN A 70 24.204 11.042 -1.659 1.00 1.00 N ATOM 1090 CA ASN A 70 23.314 12.035 -1.077 1.00 1.00 C ATOM 1091 C ASN A 70 21.860 11.739 -1.447 1.00 1.00 C ATOM 1092 O ASN A 70 21.531 11.589 -2.621 1.00 1.00 O ATOM 1093 CB ASN A 70 23.697 13.429 -1.585 1.00 1.00 C ATOM 1094 CG ASN A 70 22.848 14.465 -0.873 1.00 1.00 C ATOM 1095 OD1 ASN A 70 22.875 15.649 -1.211 1.00 1.00 O ATOM 1096 ND2 ASN A 70 22.087 14.069 0.101 1.00 1.00 N ATOM 0 H ASN A 70 23.974 10.782 -2.618 1.00 1.00 H new ATOM 0 HA ASN A 70 23.413 11.997 0.008 1.00 1.00 H new ATOM 0 HB2 ASN A 70 24.755 13.619 -1.402 1.00 1.00 H new ATOM 0 HB3 ASN A 70 23.543 13.492 -2.662 1.00 1.00 H new ATOM 0 HD21 ASN A 70 21.502 14.741 0.597 1.00 1.00 H new ATOM 0 HD22 ASN A 70 22.074 13.085 0.371 1.00 1.00 H new ATOM 1103 N TRP A 71 20.997 11.660 -0.434 1.00 1.00 N ATOM 1104 CA TRP A 71 19.578 11.381 -0.659 1.00 1.00 C ATOM 1105 C TRP A 71 18.958 12.420 -1.584 1.00 1.00 C ATOM 1106 O TRP A 71 17.983 12.140 -2.283 1.00 1.00 O ATOM 1107 CB TRP A 71 18.817 11.385 0.668 1.00 1.00 C ATOM 1108 CG TRP A 71 19.467 10.432 1.621 1.00 1.00 C ATOM 1109 CD1 TRP A 71 19.583 9.098 1.426 1.00 1.00 C ATOM 1110 CD2 TRP A 71 20.098 10.713 2.905 1.00 1.00 C ATOM 1111 NE1 TRP A 71 20.248 8.544 2.506 1.00 1.00 N ATOM 1112 CE2 TRP A 71 20.583 9.498 3.443 1.00 1.00 C ATOM 1113 CE3 TRP A 71 20.296 11.891 3.651 1.00 1.00 C ATOM 1114 CZ2 TRP A 71 21.237 9.447 4.668 1.00 1.00 C ATOM 1115 CZ3 TRP A 71 20.957 11.843 4.890 1.00 1.00 C ATOM 1116 CH2 TRP A 71 21.427 10.623 5.398 1.00 1.00 C ATOM 0 H TRP A 71 21.253 11.784 0.545 1.00 1.00 H new ATOM 0 HA TRP A 71 19.505 10.398 -1.124 1.00 1.00 H new ATOM 0 HB2 TRP A 71 18.809 12.389 1.091 1.00 1.00 H new ATOM 0 HB3 TRP A 71 17.778 11.099 0.504 1.00 1.00 H new ATOM 0 HD1 TRP A 71 19.217 8.554 0.568 1.00 1.00 H new ATOM 0 HE1 TRP A 71 20.464 7.551 2.597 1.00 1.00 H new ATOM 0 HE3 TRP A 71 19.938 12.836 3.269 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 21.596 8.504 5.053 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 21.104 12.752 5.455 1.00 1.00 H new ATOM 0 HH2 TRP A 71 21.934 10.593 6.351 1.00 1.00 H new ATOM 1127 N ASN A 72 19.522 13.621 -1.578 1.00 1.00 N ATOM 1128 CA ASN A 72 19.011 14.700 -2.412 1.00 1.00 C ATOM 1129 C ASN A 72 18.969 14.267 -3.869 1.00 1.00 C ATOM 1130 O ASN A 72 18.129 14.730 -4.641 1.00 1.00 O ATOM 1131 CB ASN A 72 19.901 15.936 -2.273 1.00 1.00 C ATOM 1132 CG ASN A 72 20.051 16.307 -0.802 1.00 1.00 C ATOM 1133 OD1 ASN A 72 20.958 17.056 -0.440 1.00 1.00 O ATOM 1134 ND2 ASN A 72 19.214 15.821 0.073 1.00 1.00 N ATOM 0 H ASN A 72 20.330 13.871 -1.008 1.00 1.00 H new ATOM 0 HA ASN A 72 18.001 14.943 -2.083 1.00 1.00 H new ATOM 0 HB2 ASN A 72 20.881 15.740 -2.709 1.00 1.00 H new ATOM 0 HB3 ASN A 72 19.468 16.770 -2.825 1.00 1.00 H new ATOM 0 HD21 ASN A 72 19.311 16.062 1.059 1.00 1.00 H new ATOM 0 HD22 ASN A 72 18.463 15.200 -0.229 1.00 1.00 H new ATOM 1141 N GLU A 73 19.879 13.372 -4.243 1.00 1.00 N ATOM 1142 CA GLU A 73 19.934 12.872 -5.613 1.00 1.00 C ATOM 1143 C GLU A 73 18.903 11.768 -5.810 1.00 1.00 C ATOM 1144 O GLU A 73 18.346 11.624 -6.888 1.00 1.00 O ATOM 1145 CB GLU A 73 21.332 12.327 -5.911 1.00 1.00 C ATOM 1146 CG GLU A 73 22.338 13.479 -5.870 1.00 1.00 C ATOM 1147 CD GLU A 73 23.757 12.962 -6.085 1.00 1.00 C ATOM 1148 OE1 GLU A 73 23.919 11.762 -6.248 1.00 1.00 O ATOM 1149 OE2 GLU A 73 24.665 13.776 -6.084 1.00 1.00 O ATOM 0 H GLU A 73 20.585 12.980 -3.620 1.00 1.00 H new ATOM 0 HA GLU A 73 19.713 13.692 -6.296 1.00 1.00 H new ATOM 0 HB2 GLU A 73 21.602 11.565 -5.180 1.00 1.00 H new ATOM 0 HB3 GLU A 73 21.348 11.848 -6.890 1.00 1.00 H new ATOM 0 HG2 GLU A 73 22.092 14.211 -6.639 1.00 1.00 H new ATOM 0 HG3 GLU A 73 22.273 13.991 -4.910 1.00 1.00 H new ATOM 1156 N LEU A 74 18.682 10.954 -4.781 1.00 1.00 N ATOM 1157 CA LEU A 74 17.729 9.847 -4.884 1.00 1.00 C ATOM 1158 C LEU A 74 16.298 10.346 -4.945 1.00 1.00 C ATOM 1159 O LEU A 74 15.479 9.792 -5.670 1.00 1.00 O ATOM 1160 CB LEU A 74 17.888 8.900 -3.677 1.00 1.00 C ATOM 1161 CG LEU A 74 19.111 7.978 -3.855 1.00 1.00 C ATOM 1162 CD1 LEU A 74 18.878 6.941 -4.986 1.00 1.00 C ATOM 1163 CD2 LEU A 74 20.353 8.840 -4.150 1.00 1.00 C ATOM 0 H LEU A 74 19.143 11.036 -3.875 1.00 1.00 H new ATOM 0 HA LEU A 74 17.945 9.311 -5.808 1.00 1.00 H new ATOM 0 HB2 LEU A 74 17.999 9.485 -2.764 1.00 1.00 H new ATOM 0 HB3 LEU A 74 16.987 8.297 -3.562 1.00 1.00 H new ATOM 0 HG LEU A 74 19.268 7.418 -2.933 1.00 1.00 H new ATOM 0 HD11 LEU A 74 19.759 6.307 -5.085 1.00 1.00 H new ATOM 0 HD12 LEU A 74 18.013 6.325 -4.742 1.00 1.00 H new ATOM 0 HD13 LEU A 74 18.698 7.462 -5.926 1.00 1.00 H new ATOM 0 HD21 LEU A 74 21.222 8.194 -4.277 1.00 1.00 H new ATOM 0 HD22 LEU A 74 20.190 9.413 -5.063 1.00 1.00 H new ATOM 0 HD23 LEU A 74 20.527 9.524 -3.319 1.00 1.00 H new ATOM 1175 N LEU A 75 16.003 11.381 -4.171 1.00 1.00 N ATOM 1176 CA LEU A 75 14.657 11.950 -4.131 1.00 1.00 C ATOM 1177 C LEU A 75 14.029 11.996 -5.541 1.00 1.00 C ATOM 1178 O LEU A 75 13.009 11.355 -5.783 1.00 1.00 O ATOM 1179 CB LEU A 75 14.714 13.385 -3.518 1.00 1.00 C ATOM 1180 CG LEU A 75 14.184 13.413 -2.062 1.00 1.00 C ATOM 1181 CD1 LEU A 75 14.667 14.698 -1.378 1.00 1.00 C ATOM 1182 CD2 LEU A 75 12.639 13.399 -2.067 1.00 1.00 C ATOM 0 H LEU A 75 16.675 11.846 -3.561 1.00 1.00 H new ATOM 0 HA LEU A 75 14.030 11.313 -3.507 1.00 1.00 H new ATOM 0 HB2 LEU A 75 15.742 13.747 -3.537 1.00 1.00 H new ATOM 0 HB3 LEU A 75 14.124 14.066 -4.132 1.00 1.00 H new ATOM 0 HG LEU A 75 14.554 12.539 -1.526 1.00 1.00 H new ATOM 0 HD11 LEU A 75 14.298 14.725 -0.353 1.00 1.00 H new ATOM 0 HD12 LEU A 75 15.757 14.720 -1.372 1.00 1.00 H new ATOM 0 HD13 LEU A 75 14.290 15.564 -1.922 1.00 1.00 H new ATOM 0 HD21 LEU A 75 12.272 13.419 -1.041 1.00 1.00 H new ATOM 0 HD22 LEU A 75 12.269 14.274 -2.602 1.00 1.00 H new ATOM 0 HD23 LEU A 75 12.285 12.495 -2.562 1.00 1.00 H new ATOM 1194 N PRO A 76 14.609 12.738 -6.462 1.00 1.00 N ATOM 1195 CA PRO A 76 14.062 12.845 -7.852 1.00 1.00 C ATOM 1196 C PRO A 76 14.067 11.498 -8.585 1.00 1.00 C ATOM 1197 O PRO A 76 13.283 11.294 -9.510 1.00 1.00 O ATOM 1198 CB PRO A 76 15.001 13.872 -8.532 1.00 1.00 C ATOM 1199 CG PRO A 76 16.276 13.763 -7.761 1.00 1.00 C ATOM 1200 CD PRO A 76 15.837 13.554 -6.311 1.00 1.00 C ATOM 0 HA PRO A 76 13.016 13.153 -7.864 1.00 1.00 H new ATOM 0 HB2 PRO A 76 15.151 13.639 -9.586 1.00 1.00 H new ATOM 0 HB3 PRO A 76 14.591 14.881 -8.484 1.00 1.00 H new ATOM 0 HG2 PRO A 76 16.883 12.929 -8.115 1.00 1.00 H new ATOM 0 HG3 PRO A 76 16.880 14.664 -7.866 1.00 1.00 H new ATOM 0 HD2 PRO A 76 16.598 13.037 -5.727 1.00 1.00 H new ATOM 0 HD3 PRO A 76 15.636 14.500 -5.807 1.00 1.00 H new ATOM 1208 N GLN A 77 14.945 10.575 -8.175 1.00 1.00 N ATOM 1209 CA GLN A 77 15.013 9.260 -8.825 1.00 1.00 C ATOM 1210 C GLN A 77 13.855 8.364 -8.395 1.00 1.00 C ATOM 1211 O GLN A 77 13.124 7.835 -9.230 1.00 1.00 O ATOM 1212 CB GLN A 77 16.339 8.582 -8.473 1.00 1.00 C ATOM 1213 CG GLN A 77 17.508 9.422 -9.011 1.00 1.00 C ATOM 1214 CD GLN A 77 17.592 9.296 -10.529 1.00 1.00 C ATOM 1215 OE1 GLN A 77 16.878 9.989 -11.254 1.00 1.00 O ATOM 1216 NE2 GLN A 77 18.427 8.442 -11.051 1.00 1.00 N ATOM 0 H GLN A 77 15.607 10.709 -7.411 1.00 1.00 H new ATOM 0 HA GLN A 77 14.944 9.412 -9.902 1.00 1.00 H new ATOM 0 HB2 GLN A 77 16.426 8.470 -7.392 1.00 1.00 H new ATOM 0 HB3 GLN A 77 16.371 7.580 -8.901 1.00 1.00 H new ATOM 0 HG2 GLN A 77 17.373 10.467 -8.732 1.00 1.00 H new ATOM 0 HG3 GLN A 77 18.443 9.090 -8.559 1.00 1.00 H new ATOM 0 HE21 GLN A 77 19.016 7.870 -10.446 1.00 1.00 H new ATOM 0 HE22 GLN A 77 18.491 8.346 -12.064 1.00 1.00 H new ATOM 1225 N ILE A 78 13.699 8.198 -7.089 1.00 1.00 N ATOM 1226 CA ILE A 78 12.630 7.355 -6.557 1.00 1.00 C ATOM 1227 C ILE A 78 11.271 7.979 -6.834 1.00 1.00 C ATOM 1228 O ILE A 78 10.318 7.284 -7.183 1.00 1.00 O ATOM 1229 CB ILE A 78 12.836 7.119 -5.053 1.00 1.00 C ATOM 1230 CG1 ILE A 78 12.739 8.458 -4.288 1.00 1.00 C ATOM 1231 CG2 ILE A 78 14.216 6.473 -4.836 1.00 1.00 C ATOM 1232 CD1 ILE A 78 13.087 8.262 -2.807 1.00 1.00 C ATOM 0 H ILE A 78 14.292 8.631 -6.381 1.00 1.00 H new ATOM 0 HA ILE A 78 12.663 6.388 -7.059 1.00 1.00 H new ATOM 0 HB ILE A 78 12.061 6.454 -4.673 1.00 1.00 H new ATOM 0 HG12 ILE A 78 13.417 9.187 -4.733 1.00 1.00 H new ATOM 0 HG13 ILE A 78 11.731 8.863 -4.380 1.00 1.00 H new ATOM 0 HG21 ILE A 78 14.374 6.301 -3.771 1.00 1.00 H new ATOM 0 HG22 ILE A 78 14.261 5.523 -5.368 1.00 1.00 H new ATOM 0 HG23 ILE A 78 14.992 7.138 -5.215 1.00 1.00 H new ATOM 0 HD11 ILE A 78 13.013 9.217 -2.286 1.00 1.00 H new ATOM 0 HD12 ILE A 78 12.392 7.550 -2.361 1.00 1.00 H new ATOM 0 HD13 ILE A 78 14.104 7.879 -2.720 1.00 1.00 H new ATOM 1244 N GLU A 79 11.184 9.295 -6.666 1.00 1.00 N ATOM 1245 CA GLU A 79 9.931 10.012 -6.888 1.00 1.00 C ATOM 1246 C GLU A 79 9.343 9.639 -8.242 1.00 1.00 C ATOM 1247 O GLU A 79 8.128 9.673 -8.434 1.00 1.00 O ATOM 1248 CB GLU A 79 10.170 11.529 -6.808 1.00 1.00 C ATOM 1249 CG GLU A 79 8.834 12.303 -6.904 1.00 1.00 C ATOM 1250 CD GLU A 79 8.341 12.372 -8.350 1.00 1.00 C ATOM 1251 OE1 GLU A 79 9.136 12.707 -9.212 1.00 1.00 O ATOM 1252 OE2 GLU A 79 7.175 12.087 -8.571 1.00 1.00 O ATOM 0 H GLU A 79 11.964 9.886 -6.378 1.00 1.00 H new ATOM 0 HA GLU A 79 9.221 9.728 -6.112 1.00 1.00 H new ATOM 0 HB2 GLU A 79 10.670 11.774 -5.871 1.00 1.00 H new ATOM 0 HB3 GLU A 79 10.834 11.840 -7.615 1.00 1.00 H new ATOM 0 HG2 GLU A 79 8.082 11.816 -6.283 1.00 1.00 H new ATOM 0 HG3 GLU A 79 8.966 13.312 -6.513 1.00 1.00 H new ATOM 1259 N ASN A 80 10.213 9.279 -9.172 1.00 1.00 N ATOM 1260 CA ASN A 80 9.770 8.896 -10.502 1.00 1.00 C ATOM 1261 C ASN A 80 8.813 7.711 -10.416 1.00 1.00 C ATOM 1262 O ASN A 80 7.885 7.594 -11.217 1.00 1.00 O ATOM 1263 CB ASN A 80 10.973 8.516 -11.366 1.00 1.00 C ATOM 1264 CG ASN A 80 10.524 8.254 -12.801 1.00 1.00 C ATOM 1265 OD1 ASN A 80 9.628 8.933 -13.303 1.00 1.00 O ATOM 1266 ND2 ASN A 80 11.095 7.308 -13.495 1.00 1.00 N ATOM 0 H ASN A 80 11.223 9.244 -9.032 1.00 1.00 H new ATOM 0 HA ASN A 80 9.254 9.743 -10.954 1.00 1.00 H new ATOM 0 HB2 ASN A 80 11.712 9.317 -11.348 1.00 1.00 H new ATOM 0 HB3 ASN A 80 11.457 7.628 -10.960 1.00 1.00 H new ATOM 0 HD21 ASN A 80 10.799 7.130 -14.455 1.00 1.00 H new ATOM 0 HD22 ASN A 80 11.837 6.746 -13.078 1.00 1.00 H new ATOM 1273 N THR A 81 9.039 6.829 -9.441 1.00 1.00 N ATOM 1274 CA THR A 81 8.184 5.662 -9.278 1.00 1.00 C ATOM 1275 C THR A 81 6.769 6.092 -8.916 1.00 1.00 C ATOM 1276 O THR A 81 5.789 5.578 -9.457 1.00 1.00 O ATOM 1277 CB THR A 81 8.736 4.752 -8.179 1.00 1.00 C ATOM 1278 OG1 THR A 81 8.740 5.454 -6.943 1.00 1.00 O ATOM 1279 CG2 THR A 81 10.162 4.332 -8.528 1.00 1.00 C ATOM 0 H THR A 81 9.797 6.902 -8.763 1.00 1.00 H new ATOM 0 HA THR A 81 8.163 5.116 -10.221 1.00 1.00 H new ATOM 0 HB THR A 81 8.108 3.865 -8.095 1.00 1.00 H new ATOM 0 HG1 THR A 81 9.562 5.982 -6.870 1.00 1.00 H new ATOM 0 HG21 THR A 81 10.553 3.684 -7.744 1.00 1.00 H new ATOM 0 HG22 THR A 81 10.161 3.794 -9.476 1.00 1.00 H new ATOM 0 HG23 THR A 81 10.791 5.218 -8.614 1.00 1.00 H new ATOM 1287 N PHE A 82 6.677 7.043 -7.994 1.00 1.00 N ATOM 1288 CA PHE A 82 5.385 7.550 -7.548 1.00 1.00 C ATOM 1289 C PHE A 82 4.655 8.242 -8.696 1.00 1.00 C ATOM 1290 O PHE A 82 3.434 8.166 -8.798 1.00 1.00 O ATOM 1291 CB PHE A 82 5.587 8.526 -6.347 1.00 1.00 C ATOM 1292 CG PHE A 82 4.642 8.173 -5.219 1.00 1.00 C ATOM 1293 CD1 PHE A 82 5.036 7.227 -4.280 1.00 1.00 C ATOM 1294 CD2 PHE A 82 3.380 8.779 -5.125 1.00 1.00 C ATOM 1295 CE1 PHE A 82 4.175 6.881 -3.239 1.00 1.00 C ATOM 1296 CE2 PHE A 82 2.514 8.430 -4.080 1.00 1.00 C ATOM 1297 CZ PHE A 82 2.916 7.481 -3.134 1.00 1.00 C ATOM 0 H PHE A 82 7.481 7.478 -7.541 1.00 1.00 H new ATOM 0 HA PHE A 82 4.770 6.713 -7.218 1.00 1.00 H new ATOM 0 HB2 PHE A 82 6.618 8.474 -5.997 1.00 1.00 H new ATOM 0 HB3 PHE A 82 5.411 9.552 -6.670 1.00 1.00 H new ATOM 0 HD1 PHE A 82 6.007 6.761 -4.356 1.00 1.00 H new ATOM 0 HD2 PHE A 82 3.077 9.513 -5.857 1.00 1.00 H new ATOM 0 HE1 PHE A 82 4.482 6.146 -2.510 1.00 1.00 H new ATOM 0 HE2 PHE A 82 1.540 8.892 -4.005 1.00 1.00 H new ATOM 0 HZ PHE A 82 2.255 7.212 -2.323 1.00 1.00 H new ATOM 1307 N ALA A 83 5.410 8.924 -9.547 1.00 1.00 N ATOM 1308 CA ALA A 83 4.819 9.635 -10.676 1.00 1.00 C ATOM 1309 C ALA A 83 3.802 8.755 -11.403 1.00 1.00 C ATOM 1310 O ALA A 83 2.695 9.198 -11.714 1.00 1.00 O ATOM 1311 CB ALA A 83 5.922 10.060 -11.649 1.00 1.00 C ATOM 0 H ALA A 83 6.425 9.001 -9.480 1.00 1.00 H new ATOM 0 HA ALA A 83 4.302 10.517 -10.297 1.00 1.00 H new ATOM 0 HB1 ALA A 83 5.479 10.591 -12.492 1.00 1.00 H new ATOM 0 HB2 ALA A 83 6.626 10.716 -11.137 1.00 1.00 H new ATOM 0 HB3 ALA A 83 6.447 9.177 -12.012 1.00 1.00 H new ATOM 1317 N LYS A 84 4.184 7.513 -11.676 1.00 1.00 N ATOM 1318 CA LYS A 84 3.293 6.593 -12.368 1.00 1.00 C ATOM 1319 C LYS A 84 2.042 6.336 -11.534 1.00 1.00 C ATOM 1320 O LYS A 84 0.921 6.420 -12.036 1.00 1.00 O ATOM 1321 CB LYS A 84 4.017 5.269 -12.606 1.00 1.00 C ATOM 1322 CG LYS A 84 5.207 5.500 -13.534 1.00 1.00 C ATOM 1323 CD LYS A 84 5.937 4.177 -13.763 1.00 1.00 C ATOM 1324 CE LYS A 84 7.151 4.426 -14.651 1.00 1.00 C ATOM 1325 NZ LYS A 84 7.887 3.147 -14.866 1.00 1.00 N ATOM 0 H LYS A 84 5.095 7.124 -11.432 1.00 1.00 H new ATOM 0 HA LYS A 84 3.001 7.036 -13.320 1.00 1.00 H new ATOM 0 HB2 LYS A 84 4.357 4.852 -11.658 1.00 1.00 H new ATOM 0 HB3 LYS A 84 3.334 4.543 -13.047 1.00 1.00 H new ATOM 0 HG2 LYS A 84 4.866 5.909 -14.485 1.00 1.00 H new ATOM 0 HG3 LYS A 84 5.886 6.232 -13.097 1.00 1.00 H new ATOM 0 HD2 LYS A 84 6.249 3.750 -12.810 1.00 1.00 H new ATOM 0 HD3 LYS A 84 5.269 3.455 -14.233 1.00 1.00 H new ATOM 0 HE2 LYS A 84 6.835 4.840 -15.608 1.00 1.00 H new ATOM 0 HE3 LYS A 84 7.808 5.162 -14.187 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 8.905 3.342 -14.949 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 7.721 2.511 -14.060 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 7.549 2.694 -15.739 1.00 1.00 H new