USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 877 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 74 ASN : amide:sc= -0.777 K(o=-1.7,f=-0.009) USER MOD Set 1.2: A 105 ASN : amide:sc= -0.963 K(o=-1.7,f=-0.009) USER MOD Set 2.1: A 49 SER OG : rot -170:sc= -1.53! USER MOD Set 2.2: A 51 GLN : amide:sc= -0.323 K(o=-2.6,f=-5.8!) USER MOD Set 2.3: A 130 TYR OH : rot 180:sc= -0.707 USER MOD Set 3.1: A 10 THR OG1 : rot 131:sc= 1.66 USER MOD Set 3.2: A 122 TYR OH : rot 56:sc= 0.734 USER MOD Single : A 8 THR OG1 : rot -143:sc= 0.846 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -130:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.101 K(o=0.1,f=-1.7) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.0665 K(o=0.067,f=-2.4) USER MOD Single : A 30 THR OG1 : rot -70:sc= 0.384 USER MOD Single : A 34 SER OG : rot 112:sc= 0.752 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0717 USER MOD Single : A 41 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.9) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0409 K(o=-0.041,f=-1.2!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 52 SER OG : rot 37:sc= 0.0307 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -3.75 K(o=-3.7,f=-11!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 120:sc= -1.51 USER MOD Single : A 68 TYR OH : rot 40:sc= -1.26 USER MOD Single : A 69 SER OG : rot -56:sc= 0.322 USER MOD Single : A 71 GLN : amide:sc= -4.62 K(o=-4.6,f=-8.8!) USER MOD Single : A 73 SER OG : rot -7:sc= -0.78! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 173:sc= 1.17 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0571 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.807 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 13:sc= 0.567! USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -159:sc= -0.0204 (180deg=-0.207) USER MOD Single : A 112 TYR OH : rot 165:sc= -0.713 USER MOD Single : A 114 THR OG1 : rot -54:sc= 0.867 USER MOD Single : A 115 THR OG1 : rot 90:sc= 0.121 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.608 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.711 USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 7 -3.433 -8.761 -7.233 1.00 0.00 N ATOM 100 CA ALA A 7 -4.681 -8.439 -6.550 1.00 0.00 C ATOM 101 C ALA A 7 -4.502 -7.251 -5.611 1.00 0.00 C ATOM 102 O ALA A 7 -3.708 -7.302 -4.671 1.00 0.00 O ATOM 103 CB ALA A 7 -5.189 -9.650 -5.781 1.00 0.00 C ATOM 0 HA ALA A 7 -5.419 -8.165 -7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.121 -9.396 -5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.364 -10.473 -6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.446 -9.950 -5.042 1.00 0.00 H new ATOM 109 N THR A 8 -5.245 -6.180 -5.872 1.00 0.00 N ATOM 110 CA THR A 8 -5.168 -4.978 -5.052 1.00 0.00 C ATOM 111 C THR A 8 -6.547 -4.363 -4.845 1.00 0.00 C ATOM 112 O THR A 8 -7.448 -4.548 -5.664 1.00 0.00 O ATOM 113 CB THR A 8 -4.238 -3.925 -5.685 1.00 0.00 C ATOM 114 OG1 THR A 8 -5.007 -2.987 -6.445 1.00 0.00 O ATOM 115 CG2 THR A 8 -3.203 -4.587 -6.581 1.00 0.00 C ATOM 0 H THR A 8 -5.907 -6.121 -6.645 1.00 0.00 H new ATOM 0 HA THR A 8 -4.760 -5.280 -4.087 1.00 0.00 H new ATOM 0 HB THR A 8 -3.718 -3.401 -4.883 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.506 -2.725 -7.245 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.558 -3.824 -7.017 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.601 -5.278 -5.992 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.708 -5.134 -7.378 1.00 0.00 H new ATOM 123 N ALA A 9 -6.706 -3.631 -3.748 1.00 0.00 N ATOM 124 CA ALA A 9 -7.975 -2.986 -3.437 1.00 0.00 C ATOM 125 C ALA A 9 -7.755 -1.651 -2.732 1.00 0.00 C ATOM 126 O ALA A 9 -6.862 -1.518 -1.895 1.00 0.00 O ATOM 127 CB ALA A 9 -8.836 -3.902 -2.578 1.00 0.00 C ATOM 0 H ALA A 9 -5.971 -3.470 -3.059 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.494 -2.791 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.781 -3.408 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.031 -4.829 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.313 -4.126 -1.648 1.00 0.00 H new ATOM 133 N THR A 10 -8.575 -0.663 -3.078 1.00 0.00 N ATOM 134 CA THR A 10 -8.469 0.662 -2.480 1.00 0.00 C ATOM 135 C THR A 10 -9.840 1.201 -2.091 1.00 0.00 C ATOM 136 O THR A 10 -10.865 0.583 -2.377 1.00 0.00 O ATOM 137 CB THR A 10 -7.792 1.658 -3.441 1.00 0.00 C ATOM 138 OG1 THR A 10 -8.783 2.330 -4.227 1.00 0.00 O ATOM 139 CG2 THR A 10 -6.809 0.945 -4.357 1.00 0.00 C ATOM 0 H THR A 10 -9.319 -0.756 -3.769 1.00 0.00 H new ATOM 0 HA THR A 10 -7.856 0.557 -1.585 1.00 0.00 H new ATOM 0 HB THR A 10 -7.244 2.388 -2.845 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.623 3.296 -4.199 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.344 1.669 -5.026 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.040 0.459 -3.757 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.338 0.195 -4.945 1.00 0.00 H new ATOM 147 N SER A 11 -9.851 2.357 -1.435 1.00 0.00 N ATOM 148 CA SER A 11 -11.099 2.978 -1.002 1.00 0.00 C ATOM 149 C SER A 11 -11.574 4.009 -2.022 1.00 0.00 C ATOM 150 O SER A 11 -12.764 4.094 -2.325 1.00 0.00 O ATOM 151 CB SER A 11 -10.915 3.643 0.363 1.00 0.00 C ATOM 152 OG SER A 11 -11.477 4.943 0.377 1.00 0.00 O ATOM 0 H SER A 11 -9.011 2.882 -1.192 1.00 0.00 H new ATOM 0 HA SER A 11 -11.856 2.198 -0.919 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.384 3.032 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.853 3.700 0.603 1.00 0.00 H new ATOM 0 HG SER A 11 -11.348 5.346 1.261 1.00 0.00 H new ATOM 158 N SER A 12 -10.636 4.788 -2.548 1.00 0.00 N ATOM 159 CA SER A 12 -10.958 5.817 -3.531 1.00 0.00 C ATOM 160 C SER A 12 -10.270 5.530 -4.862 1.00 0.00 C ATOM 161 O SER A 12 -9.338 4.729 -4.931 1.00 0.00 O ATOM 162 CB SER A 12 -10.542 7.195 -3.014 1.00 0.00 C ATOM 163 OG SER A 12 -11.609 8.122 -3.117 1.00 0.00 O ATOM 0 H SER A 12 -9.646 4.727 -2.311 1.00 0.00 H new ATOM 0 HA SER A 12 -12.036 5.808 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.224 7.116 -1.974 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.686 7.557 -3.583 1.00 0.00 H new ATOM 0 HG SER A 12 -11.292 8.938 -3.557 1.00 0.00 H new ATOM 169 N ILE A 13 -10.735 6.193 -5.916 1.00 0.00 N ATOM 170 CA ILE A 13 -10.165 6.011 -7.245 1.00 0.00 C ATOM 171 C ILE A 13 -10.819 6.945 -8.257 1.00 0.00 C ATOM 172 O ILE A 13 -12.008 7.248 -8.158 1.00 0.00 O ATOM 173 CB ILE A 13 -10.319 4.558 -7.730 1.00 0.00 C ATOM 174 CG1 ILE A 13 -9.617 4.369 -9.076 1.00 0.00 C ATOM 175 CG2 ILE A 13 -11.791 4.189 -7.838 1.00 0.00 C ATOM 176 CD1 ILE A 13 -9.695 2.954 -9.605 1.00 0.00 C ATOM 0 H ILE A 13 -11.505 6.861 -5.875 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.104 6.249 -7.168 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.851 3.896 -7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.060 5.046 -9.806 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.570 4.653 -8.973 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.884 3.159 -8.182 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.264 4.289 -6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.282 4.854 -8.548 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.176 2.894 -10.562 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.226 2.274 -8.895 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.739 2.673 -9.740 1.00 0.00 H new ATOM 188 N GLU A 14 -10.035 7.397 -9.231 1.00 0.00 N ATOM 189 CA GLU A 14 -10.540 8.295 -10.262 1.00 0.00 C ATOM 190 C GLU A 14 -11.622 7.616 -11.094 1.00 0.00 C ATOM 191 O GLU A 14 -12.715 8.154 -11.274 1.00 0.00 O ATOM 192 CB GLU A 14 -9.398 8.758 -11.170 1.00 0.00 C ATOM 193 CG GLU A 14 -8.485 9.786 -10.523 1.00 0.00 C ATOM 194 CD GLU A 14 -7.647 10.541 -11.535 1.00 0.00 C ATOM 195 OE1 GLU A 14 -7.378 9.982 -12.619 1.00 0.00 O ATOM 196 OE2 GLU A 14 -7.259 11.692 -11.244 1.00 0.00 O ATOM 0 H GLU A 14 -9.049 7.156 -9.327 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.978 9.163 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.805 7.892 -11.464 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.819 9.181 -12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.087 10.495 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.827 9.286 -9.813 1.00 0.00 H new ATOM 203 N THR A 15 -11.312 6.426 -11.601 1.00 0.00 N ATOM 204 CA THR A 15 -12.256 5.672 -12.415 1.00 0.00 C ATOM 205 C THR A 15 -13.227 4.884 -11.545 1.00 0.00 C ATOM 206 O THR A 15 -13.272 5.066 -10.328 1.00 0.00 O ATOM 207 CB THR A 15 -11.528 4.698 -13.363 1.00 0.00 C ATOM 208 OG1 THR A 15 -11.006 3.591 -12.620 1.00 0.00 O ATOM 209 CG2 THR A 15 -10.397 5.402 -14.097 1.00 0.00 C ATOM 0 H THR A 15 -10.413 5.964 -11.461 1.00 0.00 H new ATOM 0 HA THR A 15 -12.812 6.399 -13.008 1.00 0.00 H new ATOM 0 HB THR A 15 -12.246 4.335 -14.098 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.547 2.976 -13.229 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.898 4.695 -14.760 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.802 6.226 -14.684 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.680 5.790 -13.374 1.00 0.00 H new ATOM 217 N ALA A 16 -14.004 4.009 -12.175 1.00 0.00 N ATOM 218 CA ALA A 16 -14.974 3.193 -11.456 1.00 0.00 C ATOM 219 C ALA A 16 -14.377 1.842 -11.073 1.00 0.00 C ATOM 220 O ALA A 16 -15.013 0.802 -11.239 1.00 0.00 O ATOM 221 CB ALA A 16 -16.227 2.999 -12.297 1.00 0.00 C ATOM 0 H ALA A 16 -13.980 3.847 -13.182 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.243 3.716 -10.538 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.943 2.388 -11.748 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.672 3.970 -12.516 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.965 2.501 -13.230 1.00 0.00 H new ATOM 227 N GLY A 17 -13.151 1.866 -10.560 1.00 0.00 N ATOM 228 CA GLY A 17 -12.489 0.637 -10.163 1.00 0.00 C ATOM 229 C GLY A 17 -11.817 -0.063 -11.329 1.00 0.00 C ATOM 230 O GLY A 17 -12.482 -0.701 -12.145 1.00 0.00 O ATOM 0 H GLY A 17 -12.604 2.714 -10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.744 0.860 -9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.218 -0.035 -9.711 1.00 0.00 H new ATOM 234 N HIS A 18 -10.496 0.057 -11.407 1.00 0.00 N ATOM 235 CA HIS A 18 -9.734 -0.568 -12.483 1.00 0.00 C ATOM 236 C HIS A 18 -8.249 -0.238 -12.359 1.00 0.00 C ATOM 237 O HIS A 18 -7.394 -1.028 -12.758 1.00 0.00 O ATOM 238 CB HIS A 18 -10.259 -0.108 -13.843 1.00 0.00 C ATOM 239 CG HIS A 18 -10.717 -1.232 -14.719 1.00 0.00 C ATOM 240 ND1 HIS A 18 -11.524 -2.256 -14.270 1.00 0.00 N ATOM 241 CD2 HIS A 18 -10.478 -1.490 -16.027 1.00 0.00 C ATOM 242 CE1 HIS A 18 -11.760 -3.096 -15.263 1.00 0.00 C ATOM 243 NE2 HIS A 18 -11.138 -2.653 -16.340 1.00 0.00 N ATOM 0 H HIS A 18 -9.931 0.581 -10.739 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.857 -1.648 -12.402 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.088 0.582 -13.689 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.474 0.446 -14.358 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -11.883 -2.351 -13.320 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.880 -0.892 -16.699 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -12.360 -3.992 -15.203 1.00 0.00 H new ATOM 251 N GLU A 19 -7.953 0.933 -11.805 1.00 0.00 N ATOM 252 CA GLU A 19 -6.571 1.366 -11.632 1.00 0.00 C ATOM 253 C GLU A 19 -5.837 0.462 -10.646 1.00 0.00 C ATOM 254 O GLU A 19 -4.612 0.347 -10.685 1.00 0.00 O ATOM 255 CB GLU A 19 -6.525 2.815 -11.141 1.00 0.00 C ATOM 256 CG GLU A 19 -5.504 3.672 -11.871 1.00 0.00 C ATOM 257 CD GLU A 19 -6.060 5.024 -12.277 1.00 0.00 C ATOM 258 OE1 GLU A 19 -6.701 5.681 -11.430 1.00 0.00 O ATOM 259 OE2 GLU A 19 -5.855 5.424 -13.442 1.00 0.00 O ATOM 0 H GLU A 19 -8.650 1.598 -11.469 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.073 1.301 -12.600 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.512 3.261 -11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.297 2.822 -10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.634 3.819 -11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.160 3.143 -12.760 1.00 0.00 H new ATOM 266 N GLY A 20 -6.595 -0.179 -9.762 1.00 0.00 N ATOM 267 CA GLY A 20 -6.000 -1.065 -8.777 1.00 0.00 C ATOM 268 C GLY A 20 -5.411 -2.314 -9.403 1.00 0.00 C ATOM 269 O GLY A 20 -4.378 -2.812 -8.957 1.00 0.00 O ATOM 0 H GLY A 20 -7.611 -0.101 -9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.219 -0.530 -8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.756 -1.351 -8.046 1.00 0.00 H new ATOM 273 N ASP A 21 -6.071 -2.823 -10.437 1.00 0.00 N ATOM 274 CA ASP A 21 -5.607 -4.022 -11.125 1.00 0.00 C ATOM 275 C ASP A 21 -4.439 -3.700 -12.052 1.00 0.00 C ATOM 276 O ASP A 21 -3.862 -4.593 -12.674 1.00 0.00 O ATOM 277 CB ASP A 21 -6.749 -4.652 -11.924 1.00 0.00 C ATOM 278 CG ASP A 21 -8.094 -4.483 -11.244 1.00 0.00 C ATOM 279 OD1 ASP A 21 -8.157 -4.642 -10.006 1.00 0.00 O ATOM 280 OD2 ASP A 21 -9.082 -4.190 -11.949 1.00 0.00 O ATOM 0 H ASP A 21 -6.929 -2.424 -10.817 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.265 -4.732 -10.372 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.787 -4.200 -12.915 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.547 -5.714 -12.065 1.00 0.00 H new ATOM 285 N LYS A 22 -4.096 -2.420 -12.140 1.00 0.00 N ATOM 286 CA LYS A 22 -2.997 -1.979 -12.991 1.00 0.00 C ATOM 287 C LYS A 22 -1.652 -2.391 -12.399 1.00 0.00 C ATOM 288 O LYS A 22 -0.608 -2.214 -13.025 1.00 0.00 O ATOM 289 CB LYS A 22 -3.043 -0.460 -13.171 1.00 0.00 C ATOM 290 CG LYS A 22 -2.732 -0.006 -14.587 1.00 0.00 C ATOM 291 CD LYS A 22 -3.988 0.439 -15.318 1.00 0.00 C ATOM 292 CE LYS A 22 -4.542 -0.669 -16.200 1.00 0.00 C ATOM 293 NZ LYS A 22 -5.858 -0.301 -16.792 1.00 0.00 N ATOM 0 H LYS A 22 -4.563 -1.669 -11.632 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.108 -2.458 -13.964 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.033 -0.099 -12.892 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.331 0.000 -12.486 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.016 0.816 -14.558 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.260 -0.821 -15.136 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.744 0.741 -14.593 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.764 1.314 -15.929 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.833 -0.886 -16.999 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.650 -1.581 -15.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.202 -1.082 -17.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.542 -0.118 -16.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.750 0.555 -17.373 1.00 0.00 H new ATOM 307 N ALA A 23 -1.687 -2.941 -11.190 1.00 0.00 N ATOM 308 CA ALA A 23 -0.471 -3.381 -10.516 1.00 0.00 C ATOM 309 C ALA A 23 -0.068 -4.781 -10.969 1.00 0.00 C ATOM 310 O ALA A 23 0.883 -5.362 -10.448 1.00 0.00 O ATOM 311 CB ALA A 23 -0.662 -3.347 -9.007 1.00 0.00 C ATOM 0 H ALA A 23 -2.543 -3.093 -10.657 1.00 0.00 H new ATOM 0 HA ALA A 23 0.332 -2.695 -10.785 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.254 -3.678 -8.517 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.895 -2.330 -8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.482 -4.009 -8.729 1.00 0.00 H new ATOM 317 N VAL A 24 -0.799 -5.316 -11.942 1.00 0.00 N ATOM 318 CA VAL A 24 -0.518 -6.647 -12.464 1.00 0.00 C ATOM 319 C VAL A 24 0.960 -6.804 -12.802 1.00 0.00 C ATOM 320 O VAL A 24 1.602 -7.772 -12.395 1.00 0.00 O ATOM 321 CB VAL A 24 -1.355 -6.945 -13.722 1.00 0.00 C ATOM 322 CG1 VAL A 24 -0.797 -8.151 -14.463 1.00 0.00 C ATOM 323 CG2 VAL A 24 -2.814 -7.166 -13.351 1.00 0.00 C ATOM 0 H VAL A 24 -1.590 -4.848 -12.384 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.786 -7.357 -11.681 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.299 -6.083 -14.386 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.402 -8.346 -15.349 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.231 -7.950 -14.763 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.820 -9.023 -13.809 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.391 -7.375 -14.252 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.891 -8.010 -12.666 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.206 -6.271 -12.869 1.00 0.00 H new ATOM 333 N ASP A 25 1.496 -5.844 -13.549 1.00 0.00 N ATOM 334 CA ASP A 25 2.900 -5.874 -13.941 1.00 0.00 C ATOM 335 C ASP A 25 3.799 -6.095 -12.728 1.00 0.00 C ATOM 336 O ASP A 25 4.713 -6.917 -12.762 1.00 0.00 O ATOM 337 CB ASP A 25 3.283 -4.570 -14.644 1.00 0.00 C ATOM 338 CG ASP A 25 3.965 -4.810 -15.977 1.00 0.00 C ATOM 339 OD1 ASP A 25 5.198 -5.008 -15.985 1.00 0.00 O ATOM 340 OD2 ASP A 25 3.266 -4.800 -17.012 1.00 0.00 O ATOM 0 H ASP A 25 0.979 -5.036 -13.895 1.00 0.00 H new ATOM 0 HA ASP A 25 3.041 -6.706 -14.631 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.388 -3.968 -14.800 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.946 -3.994 -13.999 1.00 0.00 H new ATOM 345 N GLY A 26 3.531 -5.354 -11.657 1.00 0.00 N ATOM 346 CA GLY A 26 4.325 -5.482 -10.448 1.00 0.00 C ATOM 347 C GLY A 26 5.609 -4.680 -10.510 1.00 0.00 C ATOM 348 O GLY A 26 6.355 -4.613 -9.534 1.00 0.00 O ATOM 0 H GLY A 26 2.778 -4.667 -11.605 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.735 -5.152 -9.593 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.564 -6.533 -10.284 1.00 0.00 H new ATOM 352 N ASN A 27 5.869 -4.069 -11.662 1.00 0.00 N ATOM 353 CA ASN A 27 7.074 -3.269 -11.848 1.00 0.00 C ATOM 354 C ASN A 27 6.725 -1.794 -12.022 1.00 0.00 C ATOM 355 O ASN A 27 5.601 -1.375 -11.750 1.00 0.00 O ATOM 356 CB ASN A 27 7.859 -3.765 -13.063 1.00 0.00 C ATOM 357 CG ASN A 27 9.354 -3.804 -12.810 1.00 0.00 C ATOM 358 OD1 ASN A 27 9.887 -2.993 -12.052 1.00 0.00 O ATOM 359 ND2 ASN A 27 10.038 -4.747 -13.446 1.00 0.00 N ATOM 0 H ASN A 27 5.261 -4.113 -12.480 1.00 0.00 H new ATOM 0 HA ASN A 27 7.692 -3.376 -10.957 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.513 -4.763 -13.333 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.654 -3.116 -13.914 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.047 -4.821 -13.316 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.555 -5.398 -14.065 1.00 0.00 H new ATOM 366 N ALA A 28 7.698 -1.012 -12.479 1.00 0.00 N ATOM 367 CA ALA A 28 7.493 0.415 -12.691 1.00 0.00 C ATOM 368 C ALA A 28 6.488 0.665 -13.812 1.00 0.00 C ATOM 369 O ALA A 28 6.021 1.788 -14.001 1.00 0.00 O ATOM 370 CB ALA A 28 8.817 1.097 -13.007 1.00 0.00 C ATOM 0 H ALA A 28 8.635 -1.343 -12.709 1.00 0.00 H new ATOM 0 HA ALA A 28 7.087 0.839 -11.772 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.649 2.163 -13.163 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.507 0.956 -12.175 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.245 0.661 -13.910 1.00 0.00 H new ATOM 376 N ALA A 29 6.159 -0.389 -14.551 1.00 0.00 N ATOM 377 CA ALA A 29 5.209 -0.284 -15.651 1.00 0.00 C ATOM 378 C ALA A 29 3.807 0.028 -15.137 1.00 0.00 C ATOM 379 O ALA A 29 2.916 0.384 -15.909 1.00 0.00 O ATOM 380 CB ALA A 29 5.200 -1.570 -16.465 1.00 0.00 C ATOM 0 H ALA A 29 6.537 -1.326 -14.408 1.00 0.00 H new ATOM 0 HA ALA A 29 5.524 0.538 -16.294 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.486 -1.478 -17.283 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.195 -1.751 -16.871 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.912 -2.404 -15.825 1.00 0.00 H new ATOM 386 N THR A 30 3.618 -0.106 -13.828 1.00 0.00 N ATOM 387 CA THR A 30 2.324 0.159 -13.212 1.00 0.00 C ATOM 388 C THR A 30 2.293 1.545 -12.577 1.00 0.00 C ATOM 389 O THR A 30 3.213 1.929 -11.855 1.00 0.00 O ATOM 390 CB THR A 30 1.987 -0.892 -12.137 1.00 0.00 C ATOM 391 OG1 THR A 30 2.760 -0.653 -10.957 1.00 0.00 O ATOM 392 CG2 THR A 30 2.259 -2.298 -12.653 1.00 0.00 C ATOM 0 H THR A 30 4.345 -0.397 -13.174 1.00 0.00 H new ATOM 0 HA THR A 30 1.579 0.107 -14.006 1.00 0.00 H new ATOM 0 HB THR A 30 0.927 -0.808 -11.897 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.700 -0.867 -11.133 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.014 -3.024 -11.878 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.646 -2.487 -13.534 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.312 -2.391 -12.917 1.00 0.00 H new ATOM 400 N ARG A 31 1.228 2.292 -12.850 1.00 0.00 N ATOM 401 CA ARG A 31 1.077 3.636 -12.306 1.00 0.00 C ATOM 402 C ARG A 31 -0.342 3.856 -11.788 1.00 0.00 C ATOM 403 O ARG A 31 -1.306 3.802 -12.549 1.00 0.00 O ATOM 404 CB ARG A 31 1.410 4.681 -13.372 1.00 0.00 C ATOM 405 CG ARG A 31 2.901 4.926 -13.539 1.00 0.00 C ATOM 406 CD ARG A 31 3.493 4.043 -14.626 1.00 0.00 C ATOM 407 NE ARG A 31 3.950 4.819 -15.774 1.00 0.00 N ATOM 408 CZ ARG A 31 5.074 5.526 -15.782 1.00 0.00 C ATOM 409 NH1 ARG A 31 5.852 5.554 -14.709 1.00 0.00 N ATOM 410 NH2 ARG A 31 5.423 6.207 -16.867 1.00 0.00 N ATOM 0 H ARG A 31 0.457 1.989 -13.445 1.00 0.00 H new ATOM 0 HA ARG A 31 1.771 3.744 -11.472 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.994 4.359 -14.327 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.923 5.621 -13.112 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.073 5.974 -13.786 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.410 4.733 -12.595 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.329 3.475 -14.217 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.746 3.320 -14.952 1.00 0.00 H new ATOM 0 HE ARG A 31 3.375 4.818 -16.616 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.588 5.031 -13.874 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.715 6.098 -14.719 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.828 6.187 -17.695 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.286 6.750 -16.873 1.00 0.00 H new ATOM 424 N TRP A 32 -0.458 4.105 -10.488 1.00 0.00 N ATOM 425 CA TRP A 32 -1.759 4.332 -9.868 1.00 0.00 C ATOM 426 C TRP A 32 -2.071 5.822 -9.791 1.00 0.00 C ATOM 427 O TRP A 32 -1.174 6.646 -9.617 1.00 0.00 O ATOM 428 CB TRP A 32 -1.793 3.718 -8.468 1.00 0.00 C ATOM 429 CG TRP A 32 -2.898 4.257 -7.610 1.00 0.00 C ATOM 430 CD1 TRP A 32 -2.862 5.385 -6.840 1.00 0.00 C ATOM 431 CD2 TRP A 32 -4.201 3.691 -7.433 1.00 0.00 C ATOM 432 NE1 TRP A 32 -4.064 5.553 -6.196 1.00 0.00 N ATOM 433 CE2 TRP A 32 -4.903 4.528 -6.544 1.00 0.00 C ATOM 434 CE3 TRP A 32 -4.844 2.559 -7.943 1.00 0.00 C ATOM 435 CZ2 TRP A 32 -6.213 4.265 -6.153 1.00 0.00 C ATOM 436 CZ3 TRP A 32 -6.144 2.301 -7.553 1.00 0.00 C ATOM 437 CH2 TRP A 32 -6.818 3.151 -6.666 1.00 0.00 C ATOM 0 H TRP A 32 0.331 4.155 -9.844 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.518 3.852 -10.486 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.905 2.637 -8.556 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.838 3.901 -7.975 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.014 6.047 -6.751 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.294 6.318 -5.561 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.334 1.899 -8.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -6.733 4.918 -5.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.650 1.428 -7.939 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -7.835 2.922 -6.382 1.00 0.00 H new ATOM 448 N ALA A 33 -3.350 6.162 -9.923 1.00 0.00 N ATOM 449 CA ALA A 33 -3.780 7.553 -9.866 1.00 0.00 C ATOM 450 C ALA A 33 -4.958 7.725 -8.912 1.00 0.00 C ATOM 451 O ALA A 33 -5.934 6.979 -8.976 1.00 0.00 O ATOM 452 CB ALA A 33 -4.148 8.050 -11.257 1.00 0.00 C ATOM 0 H ALA A 33 -4.105 5.493 -10.070 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.949 8.149 -9.487 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.467 9.091 -11.199 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.280 7.973 -11.912 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.960 7.443 -11.657 1.00 0.00 H new ATOM 458 N SER A 34 -4.859 8.713 -8.029 1.00 0.00 N ATOM 459 CA SER A 34 -5.914 8.979 -7.059 1.00 0.00 C ATOM 460 C SER A 34 -6.878 10.040 -7.583 1.00 0.00 C ATOM 461 O SER A 34 -6.585 10.734 -8.556 1.00 0.00 O ATOM 462 CB SER A 34 -5.310 9.435 -5.729 1.00 0.00 C ATOM 463 OG SER A 34 -5.817 8.670 -4.650 1.00 0.00 O ATOM 0 H SER A 34 -4.059 9.342 -7.965 1.00 0.00 H new ATOM 0 HA SER A 34 -6.469 8.055 -6.900 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.225 9.341 -5.767 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.533 10.490 -5.567 1.00 0.00 H new ATOM 0 HG SER A 34 -5.102 8.109 -4.282 1.00 0.00 H new ATOM 469 N ALA A 35 -8.030 10.158 -6.929 1.00 0.00 N ATOM 470 CA ALA A 35 -9.036 11.135 -7.327 1.00 0.00 C ATOM 471 C ALA A 35 -9.113 12.283 -6.327 1.00 0.00 C ATOM 472 O ALA A 35 -10.079 12.400 -5.573 1.00 0.00 O ATOM 473 CB ALA A 35 -10.394 10.464 -7.468 1.00 0.00 C ATOM 0 H ALA A 35 -8.289 9.590 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.744 11.548 -8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.137 11.204 -7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.337 9.683 -8.226 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.683 10.024 -6.514 1.00 0.00 H new ATOM 479 N TYR A 36 -8.088 13.128 -6.324 1.00 0.00 N ATOM 480 CA TYR A 36 -8.038 14.267 -5.414 1.00 0.00 C ATOM 481 C TYR A 36 -8.489 13.864 -4.013 1.00 0.00 C ATOM 482 O TYR A 36 -8.646 12.681 -3.715 1.00 0.00 O ATOM 483 CB TYR A 36 -8.915 15.404 -5.938 1.00 0.00 C ATOM 484 CG TYR A 36 -10.125 14.929 -6.710 1.00 0.00 C ATOM 485 CD1 TYR A 36 -10.024 14.573 -8.049 1.00 0.00 C ATOM 486 CD2 TYR A 36 -11.370 14.837 -6.100 1.00 0.00 C ATOM 487 CE1 TYR A 36 -11.128 14.139 -8.758 1.00 0.00 C ATOM 488 CE2 TYR A 36 -12.478 14.403 -6.801 1.00 0.00 C ATOM 489 CZ TYR A 36 -12.353 14.056 -8.129 1.00 0.00 C ATOM 490 OH TYR A 36 -13.454 13.624 -8.832 1.00 0.00 O ATOM 0 H TYR A 36 -7.280 13.046 -6.941 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.005 14.611 -5.359 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.247 16.013 -5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.315 16.048 -6.580 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.066 14.636 -8.544 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.473 15.109 -5.060 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -11.032 13.866 -9.799 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -13.438 14.336 -6.311 1.00 0.00 H new ATOM 0 HH TYR A 36 -14.238 13.622 -8.244 1.00 0.00 H new ATOM 500 N GLY A 37 -8.698 14.860 -3.157 1.00 0.00 N ATOM 501 CA GLY A 37 -9.131 14.590 -1.798 1.00 0.00 C ATOM 502 C GLY A 37 -10.318 13.651 -1.743 1.00 0.00 C ATOM 503 O GLY A 37 -11.196 13.697 -2.605 1.00 0.00 O ATOM 0 H GLY A 37 -8.575 15.848 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.303 14.158 -1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.392 15.529 -1.310 1.00 0.00 H new ATOM 507 N ALA A 38 -10.347 12.794 -0.728 1.00 0.00 N ATOM 508 CA ALA A 38 -11.436 11.840 -0.563 1.00 0.00 C ATOM 509 C ALA A 38 -11.159 10.885 0.594 1.00 0.00 C ATOM 510 O ALA A 38 -11.530 9.712 0.545 1.00 0.00 O ATOM 511 CB ALA A 38 -11.654 11.061 -1.852 1.00 0.00 C ATOM 0 H ALA A 38 -9.628 12.741 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.343 12.398 -0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.470 10.352 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.905 11.752 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.743 10.520 -2.109 1.00 0.00 H new ATOM 517 N SER A 39 -10.507 11.396 1.632 1.00 0.00 N ATOM 518 CA SER A 39 -10.176 10.586 2.800 1.00 0.00 C ATOM 519 C SER A 39 -11.406 9.841 3.309 1.00 0.00 C ATOM 520 O SER A 39 -12.547 10.224 3.051 1.00 0.00 O ATOM 521 CB SER A 39 -9.603 11.467 3.912 1.00 0.00 C ATOM 522 OG SER A 39 -9.985 12.821 3.737 1.00 0.00 O ATOM 0 H SER A 39 -10.197 12.366 1.689 1.00 0.00 H new ATOM 0 HA SER A 39 -9.425 9.854 2.503 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.953 11.109 4.880 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.516 11.390 3.917 1.00 0.00 H new ATOM 0 HG SER A 39 -9.608 13.363 4.461 1.00 0.00 H new ATOM 528 N PRO A 40 -11.170 8.750 4.053 1.00 0.00 N ATOM 529 CA PRO A 40 -9.816 8.285 4.367 1.00 0.00 C ATOM 530 C PRO A 40 -9.096 7.727 3.144 1.00 0.00 C ATOM 531 O PRO A 40 -9.731 7.314 2.175 1.00 0.00 O ATOM 532 CB PRO A 40 -10.052 7.179 5.399 1.00 0.00 C ATOM 533 CG PRO A 40 -11.432 6.689 5.122 1.00 0.00 C ATOM 534 CD PRO A 40 -12.207 7.886 4.643 1.00 0.00 C ATOM 0 HA PRO A 40 -9.180 9.094 4.726 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.320 6.378 5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.965 7.561 6.416 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.423 5.902 4.368 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.883 6.265 6.019 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -12.963 7.608 3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -12.726 8.383 5.463 1.00 0.00 H new ATOM 542 N GLN A 41 -7.768 7.719 3.198 1.00 0.00 N ATOM 543 CA GLN A 41 -6.963 7.212 2.093 1.00 0.00 C ATOM 544 C GLN A 41 -6.129 6.014 2.533 1.00 0.00 C ATOM 545 O GLN A 41 -5.504 6.034 3.593 1.00 0.00 O ATOM 546 CB GLN A 41 -6.048 8.314 1.554 1.00 0.00 C ATOM 547 CG GLN A 41 -6.791 9.407 0.803 1.00 0.00 C ATOM 548 CD GLN A 41 -5.880 10.535 0.363 1.00 0.00 C ATOM 549 OE1 GLN A 41 -4.656 10.402 0.378 1.00 0.00 O ATOM 550 NE2 GLN A 41 -6.472 11.656 -0.033 1.00 0.00 N ATOM 0 H GLN A 41 -7.227 8.057 3.994 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.639 6.890 1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.503 8.761 2.385 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.307 7.868 0.891 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.277 8.975 -0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.579 9.809 1.440 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.490 11.724 -0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.909 12.449 -0.340 1.00 0.00 H new ATOM 559 N TRP A 42 -6.123 4.970 1.711 1.00 0.00 N ATOM 560 CA TRP A 42 -5.366 3.761 2.015 1.00 0.00 C ATOM 561 C TRP A 42 -5.467 2.754 0.877 1.00 0.00 C ATOM 562 O TRP A 42 -6.271 2.920 -0.042 1.00 0.00 O ATOM 563 CB TRP A 42 -5.871 3.132 3.316 1.00 0.00 C ATOM 564 CG TRP A 42 -7.308 2.710 3.252 1.00 0.00 C ATOM 565 CD1 TRP A 42 -8.381 3.498 2.945 1.00 0.00 C ATOM 566 CD2 TRP A 42 -7.829 1.401 3.503 1.00 0.00 C ATOM 567 NE1 TRP A 42 -9.537 2.756 2.991 1.00 0.00 N ATOM 568 CE2 TRP A 42 -9.225 1.467 3.330 1.00 0.00 C ATOM 569 CE3 TRP A 42 -7.251 0.178 3.855 1.00 0.00 C ATOM 570 CZ2 TRP A 42 -10.049 0.357 3.498 1.00 0.00 C ATOM 571 CZ3 TRP A 42 -8.070 -0.922 4.022 1.00 0.00 C ATOM 572 CH2 TRP A 42 -9.457 -0.827 3.843 1.00 0.00 C ATOM 0 H TRP A 42 -6.634 4.937 0.829 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.319 4.039 2.136 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -5.255 2.265 3.555 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.745 3.846 4.130 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.329 4.549 2.702 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.475 3.109 2.803 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -6.183 0.094 3.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.118 0.428 3.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -7.634 -1.872 4.295 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.070 -1.705 3.980 1.00 0.00 H new ATOM 583 N ILE A 43 -4.649 1.709 0.941 1.00 0.00 N ATOM 584 CA ILE A 43 -4.649 0.674 -0.086 1.00 0.00 C ATOM 585 C ILE A 43 -3.967 -0.595 0.414 1.00 0.00 C ATOM 586 O ILE A 43 -2.864 -0.547 0.958 1.00 0.00 O ATOM 587 CB ILE A 43 -3.941 1.153 -1.367 1.00 0.00 C ATOM 588 CG1 ILE A 43 -4.029 0.081 -2.456 1.00 0.00 C ATOM 589 CG2 ILE A 43 -2.489 1.498 -1.073 1.00 0.00 C ATOM 590 CD1 ILE A 43 -3.687 0.593 -3.838 1.00 0.00 C ATOM 0 H ILE A 43 -3.977 1.556 1.693 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.692 0.457 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.442 2.052 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.355 -0.738 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.039 -0.330 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.003 1.835 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.447 2.292 -0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.975 0.615 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.771 -0.221 -4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.377 1.392 -4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.667 0.977 -3.841 1.00 0.00 H new ATOM 602 N TYR A 44 -4.632 -1.730 0.224 1.00 0.00 N ATOM 603 CA TYR A 44 -4.090 -3.013 0.654 1.00 0.00 C ATOM 604 C TYR A 44 -3.944 -3.968 -0.526 1.00 0.00 C ATOM 605 O TYR A 44 -4.697 -3.890 -1.499 1.00 0.00 O ATOM 606 CB TYR A 44 -4.992 -3.638 1.721 1.00 0.00 C ATOM 607 CG TYR A 44 -6.451 -3.686 1.328 1.00 0.00 C ATOM 608 CD1 TYR A 44 -7.251 -2.553 1.410 1.00 0.00 C ATOM 609 CD2 TYR A 44 -7.030 -4.866 0.874 1.00 0.00 C ATOM 610 CE1 TYR A 44 -8.585 -2.594 1.052 1.00 0.00 C ATOM 611 CE2 TYR A 44 -8.362 -4.914 0.512 1.00 0.00 C ATOM 612 CZ TYR A 44 -9.136 -3.776 0.604 1.00 0.00 C ATOM 613 OH TYR A 44 -10.464 -3.820 0.246 1.00 0.00 O ATOM 0 H TYR A 44 -5.546 -1.787 -0.225 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.102 -2.837 1.078 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.647 -4.651 1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.892 -3.071 2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.823 -1.625 1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.428 -5.760 0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.193 -1.704 1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.795 -5.838 0.159 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.694 -4.726 -0.048 1.00 0.00 H new ATOM 623 N ILE A 45 -2.972 -4.869 -0.434 1.00 0.00 N ATOM 624 CA ILE A 45 -2.728 -5.840 -1.493 1.00 0.00 C ATOM 625 C ILE A 45 -2.820 -7.267 -0.963 1.00 0.00 C ATOM 626 O ILE A 45 -2.179 -7.613 0.029 1.00 0.00 O ATOM 627 CB ILE A 45 -1.346 -5.632 -2.140 1.00 0.00 C ATOM 628 CG1 ILE A 45 -1.134 -4.155 -2.478 1.00 0.00 C ATOM 629 CG2 ILE A 45 -1.209 -6.492 -3.388 1.00 0.00 C ATOM 630 CD1 ILE A 45 0.179 -3.877 -3.177 1.00 0.00 C ATOM 0 H ILE A 45 -2.341 -4.947 0.363 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.500 -5.685 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.579 -5.936 -1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.953 -3.815 -3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.178 -3.570 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.227 -6.333 -3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.320 -7.543 -3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.982 -6.217 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.261 -2.810 -3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.005 -4.186 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.218 -4.434 -4.113 1.00 0.00 H new ATOM 642 N ASN A 46 -3.620 -8.090 -1.632 1.00 0.00 N ATOM 643 CA ASN A 46 -3.794 -9.480 -1.229 1.00 0.00 C ATOM 644 C ASN A 46 -3.252 -10.429 -2.294 1.00 0.00 C ATOM 645 O ASN A 46 -3.722 -10.434 -3.433 1.00 0.00 O ATOM 646 CB ASN A 46 -5.273 -9.777 -0.972 1.00 0.00 C ATOM 647 CG ASN A 46 -6.018 -8.573 -0.427 1.00 0.00 C ATOM 648 OD1 ASN A 46 -5.919 -8.252 0.757 1.00 0.00 O ATOM 649 ND2 ASN A 46 -6.769 -7.902 -1.292 1.00 0.00 N ATOM 0 H ASN A 46 -4.158 -7.819 -2.455 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.232 -9.637 -0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.742 -10.102 -1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.358 -10.603 -0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.294 -7.084 -0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.821 -8.205 -2.265 1.00 0.00 H new ATOM 656 N LEU A 47 -2.261 -11.229 -1.917 1.00 0.00 N ATOM 657 CA LEU A 47 -1.655 -12.183 -2.840 1.00 0.00 C ATOM 658 C LEU A 47 -2.442 -13.488 -2.870 1.00 0.00 C ATOM 659 O LEU A 47 -2.921 -13.912 -3.921 1.00 0.00 O ATOM 660 CB LEU A 47 -0.204 -12.457 -2.440 1.00 0.00 C ATOM 661 CG LEU A 47 0.659 -13.164 -3.486 1.00 0.00 C ATOM 662 CD1 LEU A 47 0.261 -14.628 -3.605 1.00 0.00 C ATOM 663 CD2 LEU A 47 0.542 -12.467 -4.833 1.00 0.00 C ATOM 0 H LEU A 47 -1.860 -11.236 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.674 -11.747 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.269 -11.507 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.206 -13.060 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 47 1.699 -13.116 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.886 -15.115 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.397 -15.121 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.785 -14.698 -3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.163 -12.984 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.497 -12.483 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.876 -11.434 -4.738 1.00 0.00 H new ATOM 675 N GLY A 48 -2.574 -14.121 -1.708 1.00 0.00 N ATOM 676 CA GLY A 48 -3.306 -15.371 -1.622 1.00 0.00 C ATOM 677 C GLY A 48 -2.469 -16.496 -1.046 1.00 0.00 C ATOM 678 O GLY A 48 -2.854 -17.662 -1.111 1.00 0.00 O ATOM 0 H GLY A 48 -2.187 -13.790 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.192 -15.228 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.654 -15.654 -2.616 1.00 0.00 H new ATOM 682 N SER A 49 -1.318 -16.144 -0.480 1.00 0.00 N ATOM 683 CA SER A 49 -0.421 -17.133 0.105 1.00 0.00 C ATOM 684 C SER A 49 0.525 -16.481 1.111 1.00 0.00 C ATOM 685 O SER A 49 0.910 -15.323 0.958 1.00 0.00 O ATOM 686 CB SER A 49 0.385 -17.834 -0.989 1.00 0.00 C ATOM 687 OG SER A 49 1.071 -16.894 -1.798 1.00 0.00 O ATOM 0 H SER A 49 -0.986 -15.182 -0.415 1.00 0.00 H new ATOM 0 HA SER A 49 -1.028 -17.872 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.101 -18.519 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.282 -18.434 -1.609 1.00 0.00 H new ATOM 0 HG SER A 49 1.449 -17.349 -2.580 1.00 0.00 H new ATOM 693 N THR A 50 0.894 -17.236 2.141 1.00 0.00 N ATOM 694 CA THR A 50 1.793 -16.734 3.172 1.00 0.00 C ATOM 695 C THR A 50 3.216 -16.597 2.643 1.00 0.00 C ATOM 696 O THR A 50 3.812 -17.569 2.184 1.00 0.00 O ATOM 697 CB THR A 50 1.803 -17.656 4.406 1.00 0.00 C ATOM 698 OG1 THR A 50 1.092 -18.866 4.120 1.00 0.00 O ATOM 699 CG2 THR A 50 1.172 -16.963 5.605 1.00 0.00 C ATOM 0 H THR A 50 0.584 -18.197 2.283 1.00 0.00 H new ATOM 0 HA THR A 50 1.421 -15.752 3.464 1.00 0.00 H new ATOM 0 HB THR A 50 2.840 -17.892 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.105 -19.447 4.909 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.190 -17.634 6.464 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.733 -16.058 5.839 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.140 -16.700 5.372 1.00 0.00 H new ATOM 707 N GLN A 51 3.752 -15.383 2.711 1.00 0.00 N ATOM 708 CA GLN A 51 5.107 -15.119 2.237 1.00 0.00 C ATOM 709 C GLN A 51 5.892 -14.303 3.259 1.00 0.00 C ATOM 710 O GLN A 51 5.337 -13.436 3.933 1.00 0.00 O ATOM 711 CB GLN A 51 5.067 -14.380 0.899 1.00 0.00 C ATOM 712 CG GLN A 51 4.009 -14.908 -0.057 1.00 0.00 C ATOM 713 CD GLN A 51 4.517 -15.032 -1.480 1.00 0.00 C ATOM 714 OE1 GLN A 51 5.542 -14.451 -1.838 1.00 0.00 O ATOM 715 NE2 GLN A 51 3.802 -15.793 -2.300 1.00 0.00 N ATOM 0 H GLN A 51 3.270 -14.567 3.089 1.00 0.00 H new ATOM 0 HA GLN A 51 5.610 -16.076 2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.882 -13.322 1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.045 -14.455 0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.667 -15.883 0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.146 -14.243 -0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.959 -16.256 -1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.096 -15.915 -3.269 1.00 0.00 H new ATOM 724 N SER A 52 7.185 -14.588 3.369 1.00 0.00 N ATOM 725 CA SER A 52 8.045 -13.883 4.311 1.00 0.00 C ATOM 726 C SER A 52 8.485 -12.536 3.744 1.00 0.00 C ATOM 727 O SER A 52 8.922 -12.448 2.597 1.00 0.00 O ATOM 728 CB SER A 52 9.273 -14.732 4.648 1.00 0.00 C ATOM 729 OG SER A 52 9.929 -15.168 3.470 1.00 0.00 O ATOM 0 H SER A 52 7.660 -15.302 2.817 1.00 0.00 H new ATOM 0 HA SER A 52 7.473 -13.705 5.222 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.964 -14.152 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.971 -15.595 5.241 1.00 0.00 H new ATOM 0 HG SER A 52 9.891 -14.460 2.793 1.00 0.00 H new ATOM 735 N ILE A 53 8.364 -11.491 4.557 1.00 0.00 N ATOM 736 CA ILE A 53 8.749 -10.150 4.138 1.00 0.00 C ATOM 737 C ILE A 53 9.782 -9.553 5.087 1.00 0.00 C ATOM 738 O ILE A 53 9.813 -9.880 6.272 1.00 0.00 O ATOM 739 CB ILE A 53 7.530 -9.211 4.066 1.00 0.00 C ATOM 740 CG1 ILE A 53 6.244 -10.021 3.891 1.00 0.00 C ATOM 741 CG2 ILE A 53 7.694 -8.216 2.927 1.00 0.00 C ATOM 742 CD1 ILE A 53 5.008 -9.166 3.726 1.00 0.00 C ATOM 0 H ILE A 53 8.002 -11.548 5.509 1.00 0.00 H new ATOM 0 HA ILE A 53 9.185 -10.243 3.143 1.00 0.00 H new ATOM 0 HB ILE A 53 7.463 -8.655 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.347 -10.667 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.113 -10.671 4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.825 -7.560 2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.592 -7.620 3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.783 -8.754 1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.135 -9.808 3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.879 -8.538 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.117 -8.535 2.844 1.00 0.00 H new ATOM 754 N SER A 54 10.626 -8.673 4.556 1.00 0.00 N ATOM 755 CA SER A 54 11.662 -8.030 5.356 1.00 0.00 C ATOM 756 C SER A 54 11.544 -6.510 5.278 1.00 0.00 C ATOM 757 O SER A 54 11.157 -5.857 6.247 1.00 0.00 O ATOM 758 CB SER A 54 13.048 -8.470 4.881 1.00 0.00 C ATOM 759 OG SER A 54 13.053 -8.724 3.486 1.00 0.00 O ATOM 0 H SER A 54 10.612 -8.390 3.576 1.00 0.00 H new ATOM 0 HA SER A 54 11.527 -8.335 6.394 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.779 -7.696 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.352 -9.368 5.418 1.00 0.00 H new ATOM 0 HG SER A 54 13.951 -9.002 3.207 1.00 0.00 H new ATOM 765 N ARG A 55 11.880 -5.956 4.117 1.00 0.00 N ATOM 766 CA ARG A 55 11.813 -4.515 3.913 1.00 0.00 C ATOM 767 C ARG A 55 10.885 -4.173 2.750 1.00 0.00 C ATOM 768 O ARG A 55 10.856 -4.875 1.739 1.00 0.00 O ATOM 769 CB ARG A 55 13.211 -3.950 3.647 1.00 0.00 C ATOM 770 CG ARG A 55 14.028 -4.782 2.673 1.00 0.00 C ATOM 771 CD ARG A 55 14.948 -3.912 1.831 1.00 0.00 C ATOM 772 NE ARG A 55 16.347 -4.305 1.965 1.00 0.00 N ATOM 773 CZ ARG A 55 16.872 -5.370 1.368 1.00 0.00 C ATOM 774 NH1 ARG A 55 16.116 -6.143 0.599 1.00 0.00 N ATOM 775 NH2 ARG A 55 18.154 -5.664 1.538 1.00 0.00 N ATOM 0 H ARG A 55 12.201 -6.483 3.305 1.00 0.00 H new ATOM 0 HA ARG A 55 11.412 -4.063 4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 55 13.116 -2.937 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.750 -3.878 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.620 -5.512 3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 55 13.358 -5.342 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.652 -3.978 0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.834 -2.870 2.129 1.00 0.00 H new ATOM 0 HE ARG A 55 16.955 -3.731 2.549 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.130 -5.920 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.521 -6.960 0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 55 18.739 -5.072 2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 55 18.555 -6.482 1.079 1.00 0.00 H new ATOM 789 N VAL A 56 10.129 -3.090 2.902 1.00 0.00 N ATOM 790 CA VAL A 56 9.201 -2.655 1.866 1.00 0.00 C ATOM 791 C VAL A 56 9.258 -1.143 1.677 1.00 0.00 C ATOM 792 O VAL A 56 8.992 -0.380 2.606 1.00 0.00 O ATOM 793 CB VAL A 56 7.754 -3.066 2.199 1.00 0.00 C ATOM 794 CG1 VAL A 56 7.555 -4.556 1.966 1.00 0.00 C ATOM 795 CG2 VAL A 56 7.412 -2.692 3.633 1.00 0.00 C ATOM 0 H VAL A 56 10.141 -2.498 3.733 1.00 0.00 H new ATOM 0 HA VAL A 56 9.506 -3.146 0.942 1.00 0.00 H new ATOM 0 HB VAL A 56 7.079 -2.526 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.527 -4.828 2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.758 -4.791 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.238 -5.118 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.386 -2.989 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.091 -3.204 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.513 -1.614 3.762 1.00 0.00 H new ATOM 805 N LYS A 57 9.605 -0.716 0.467 1.00 0.00 N ATOM 806 CA LYS A 57 9.695 0.706 0.154 1.00 0.00 C ATOM 807 C LYS A 57 8.570 1.127 -0.786 1.00 0.00 C ATOM 808 O LYS A 57 8.272 0.437 -1.763 1.00 0.00 O ATOM 809 CB LYS A 57 11.051 1.023 -0.479 1.00 0.00 C ATOM 810 CG LYS A 57 11.231 0.425 -1.864 1.00 0.00 C ATOM 811 CD LYS A 57 12.699 0.195 -2.185 1.00 0.00 C ATOM 812 CE LYS A 57 13.321 1.413 -2.850 1.00 0.00 C ATOM 813 NZ LYS A 57 13.376 1.268 -4.332 1.00 0.00 N ATOM 0 H LYS A 57 9.828 -1.334 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 57 9.596 1.266 1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.169 2.105 -0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.842 0.653 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.691 -0.520 -1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.795 1.091 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.241 -0.037 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.798 -0.670 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.744 2.301 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.328 1.564 -2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.806 2.118 -4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.948 0.435 -4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.413 1.149 -4.705 1.00 0.00 H new ATOM 827 N LEU A 58 7.951 2.264 -0.489 1.00 0.00 N ATOM 828 CA LEU A 58 6.861 2.780 -1.310 1.00 0.00 C ATOM 829 C LEU A 58 7.027 4.275 -1.558 1.00 0.00 C ATOM 830 O LEU A 58 7.667 4.977 -0.779 1.00 0.00 O ATOM 831 CB LEU A 58 5.516 2.509 -0.632 1.00 0.00 C ATOM 832 CG LEU A 58 5.218 3.333 0.621 1.00 0.00 C ATOM 833 CD1 LEU A 58 3.862 4.011 0.505 1.00 0.00 C ATOM 834 CD2 LEU A 58 5.274 2.455 1.862 1.00 0.00 C ATOM 0 H LEU A 58 8.185 2.847 0.315 1.00 0.00 H new ATOM 0 HA LEU A 58 6.887 2.267 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.723 2.689 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.472 1.453 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 58 5.980 4.107 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.668 4.593 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.859 4.672 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.086 3.255 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.059 3.058 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.534 1.659 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.268 2.018 1.954 1.00 0.00 H new ATOM 846 N ASN A 59 6.443 4.755 -2.652 1.00 0.00 N ATOM 847 CA ASN A 59 6.525 6.168 -3.004 1.00 0.00 C ATOM 848 C ASN A 59 5.132 6.778 -3.133 1.00 0.00 C ATOM 849 O ASN A 59 4.199 6.126 -3.603 1.00 0.00 O ATOM 850 CB ASN A 59 7.295 6.345 -4.314 1.00 0.00 C ATOM 851 CG ASN A 59 7.539 7.804 -4.649 1.00 0.00 C ATOM 852 OD1 ASN A 59 7.312 8.688 -3.823 1.00 0.00 O ATOM 853 ND2 ASN A 59 8.002 8.062 -5.866 1.00 0.00 N ATOM 0 H ASN A 59 5.909 4.187 -3.309 1.00 0.00 H new ATOM 0 HA ASN A 59 7.057 6.686 -2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.251 5.827 -4.243 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.738 5.877 -5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.184 9.025 -6.149 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.176 7.297 -6.518 1.00 0.00 H new ATOM 860 N TRP A 60 5.000 8.032 -2.715 1.00 0.00 N ATOM 861 CA TRP A 60 3.722 8.730 -2.785 1.00 0.00 C ATOM 862 C TRP A 60 3.657 9.624 -4.018 1.00 0.00 C ATOM 863 O TRP A 60 2.664 10.315 -4.243 1.00 0.00 O ATOM 864 CB TRP A 60 3.504 9.565 -1.522 1.00 0.00 C ATOM 865 CG TRP A 60 2.103 9.490 -0.995 1.00 0.00 C ATOM 866 CD1 TRP A 60 1.186 10.501 -0.958 1.00 0.00 C ATOM 867 CD2 TRP A 60 1.461 8.343 -0.427 1.00 0.00 C ATOM 868 NE1 TRP A 60 0.013 10.052 -0.403 1.00 0.00 N ATOM 869 CE2 TRP A 60 0.156 8.731 -0.070 1.00 0.00 C ATOM 870 CE3 TRP A 60 1.861 7.026 -0.190 1.00 0.00 C ATOM 871 CZ2 TRP A 60 -0.750 7.849 0.515 1.00 0.00 C ATOM 872 CZ3 TRP A 60 0.963 6.151 0.391 1.00 0.00 C ATOM 873 CH2 TRP A 60 -0.331 6.566 0.737 1.00 0.00 C ATOM 0 H TRP A 60 5.762 8.586 -2.324 1.00 0.00 H new ATOM 0 HA TRP A 60 2.932 7.983 -2.859 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.194 9.228 -0.749 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.749 10.605 -1.736 1.00 0.00 H new ATOM 0 HD1 TRP A 60 1.358 11.506 -1.313 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.828 10.611 -0.262 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.855 6.697 -0.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.747 8.167 0.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 1.263 5.131 0.582 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -1.011 5.858 1.188 1.00 0.00 H new ATOM 884 N GLU A 61 4.721 9.606 -4.815 1.00 0.00 N ATOM 885 CA GLU A 61 4.783 10.417 -6.025 1.00 0.00 C ATOM 886 C GLU A 61 4.657 11.901 -5.693 1.00 0.00 C ATOM 887 O GLU A 61 4.833 12.307 -4.545 1.00 0.00 O ATOM 888 CB GLU A 61 3.676 10.005 -6.999 1.00 0.00 C ATOM 889 CG GLU A 61 4.152 9.854 -8.434 1.00 0.00 C ATOM 890 CD GLU A 61 5.344 8.924 -8.558 1.00 0.00 C ATOM 891 OE1 GLU A 61 5.624 8.187 -7.589 1.00 0.00 O ATOM 892 OE2 GLU A 61 5.995 8.933 -9.622 1.00 0.00 O ATOM 0 H GLU A 61 5.551 9.039 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 61 5.752 10.249 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.245 9.061 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.879 10.748 -6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.334 9.474 -9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.418 10.834 -8.830 1.00 0.00 H new ATOM 899 N ASP A 62 4.352 12.704 -6.706 1.00 0.00 N ATOM 900 CA ASP A 62 4.202 14.142 -6.523 1.00 0.00 C ATOM 901 C ASP A 62 3.308 14.447 -5.325 1.00 0.00 C ATOM 902 O ASP A 62 3.632 15.297 -4.496 1.00 0.00 O ATOM 903 CB ASP A 62 3.620 14.781 -7.785 1.00 0.00 C ATOM 904 CG ASP A 62 4.052 16.224 -7.956 1.00 0.00 C ATOM 905 OD1 ASP A 62 5.233 16.524 -7.685 1.00 0.00 O ATOM 906 OD2 ASP A 62 3.210 17.052 -8.361 1.00 0.00 O ATOM 0 H ASP A 62 4.204 12.383 -7.663 1.00 0.00 H new ATOM 0 HA ASP A 62 5.189 14.564 -6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.932 14.206 -8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.532 14.733 -7.744 1.00 0.00 H new ATOM 911 N ALA A 63 2.180 13.748 -5.241 1.00 0.00 N ATOM 912 CA ALA A 63 1.240 13.943 -4.145 1.00 0.00 C ATOM 913 C ALA A 63 1.962 13.972 -2.801 1.00 0.00 C ATOM 914 O ALA A 63 2.656 13.022 -2.438 1.00 0.00 O ATOM 915 CB ALA A 63 0.183 12.849 -4.155 1.00 0.00 C ATOM 0 H ALA A 63 1.896 13.042 -5.920 1.00 0.00 H new ATOM 0 HA ALA A 63 0.751 14.907 -4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.512 13.007 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.361 12.877 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.664 11.877 -4.042 1.00 0.00 H new ATOM 921 N TYR A 64 1.794 15.067 -2.069 1.00 0.00 N ATOM 922 CA TYR A 64 2.433 15.221 -0.767 1.00 0.00 C ATOM 923 C TYR A 64 1.664 14.460 0.310 1.00 0.00 C ATOM 924 O TYR A 64 0.435 14.404 0.288 1.00 0.00 O ATOM 925 CB TYR A 64 2.526 16.701 -0.393 1.00 0.00 C ATOM 926 CG TYR A 64 3.667 17.425 -1.071 1.00 0.00 C ATOM 927 CD1 TYR A 64 3.644 17.675 -2.437 1.00 0.00 C ATOM 928 CD2 TYR A 64 4.768 17.862 -0.344 1.00 0.00 C ATOM 929 CE1 TYR A 64 4.684 18.336 -3.061 1.00 0.00 C ATOM 930 CE2 TYR A 64 5.812 18.525 -0.960 1.00 0.00 C ATOM 931 CZ TYR A 64 5.766 18.760 -2.318 1.00 0.00 C ATOM 932 OH TYR A 64 6.804 19.419 -2.935 1.00 0.00 O ATOM 0 H TYR A 64 1.221 15.861 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 64 3.439 14.806 -0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.589 17.193 -0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.642 16.788 0.687 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.798 17.347 -3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.808 17.680 0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.650 18.520 -4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.660 18.858 -0.380 1.00 0.00 H new ATOM 0 HH TYR A 64 7.486 19.650 -2.270 1.00 0.00 H new ATOM 942 N ALA A 65 2.398 13.878 1.252 1.00 0.00 N ATOM 943 CA ALA A 65 1.787 13.123 2.339 1.00 0.00 C ATOM 944 C ALA A 65 2.624 13.215 3.610 1.00 0.00 C ATOM 945 O ALA A 65 3.852 13.293 3.553 1.00 0.00 O ATOM 946 CB ALA A 65 1.600 11.669 1.932 1.00 0.00 C ATOM 0 H ALA A 65 3.417 13.915 1.285 1.00 0.00 H new ATOM 0 HA ALA A 65 0.810 13.559 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.143 11.117 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.954 11.617 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.569 11.230 1.695 1.00 0.00 H new ATOM 952 N THR A 66 1.954 13.206 4.758 1.00 0.00 N ATOM 953 CA THR A 66 2.636 13.290 6.042 1.00 0.00 C ATOM 954 C THR A 66 3.318 11.972 6.391 1.00 0.00 C ATOM 955 O THR A 66 4.398 11.958 6.980 1.00 0.00 O ATOM 956 CB THR A 66 1.660 13.665 7.174 1.00 0.00 C ATOM 957 OG1 THR A 66 2.365 13.767 8.415 1.00 0.00 O ATOM 958 CG2 THR A 66 0.553 12.629 7.297 1.00 0.00 C ATOM 0 H THR A 66 0.938 13.141 4.824 1.00 0.00 H new ATOM 0 HA THR A 66 3.390 14.072 5.948 1.00 0.00 H new ATOM 0 HB THR A 66 1.210 14.628 6.933 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.268 14.674 8.773 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.124 12.914 8.102 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.000 12.575 6.359 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.989 11.655 7.518 1.00 0.00 H new ATOM 966 N ALA A 67 2.680 10.866 6.022 1.00 0.00 N ATOM 967 CA ALA A 67 3.227 9.543 6.293 1.00 0.00 C ATOM 968 C ALA A 67 2.165 8.462 6.115 1.00 0.00 C ATOM 969 O ALA A 67 0.979 8.762 5.971 1.00 0.00 O ATOM 970 CB ALA A 67 3.806 9.488 7.699 1.00 0.00 C ATOM 0 H ALA A 67 1.784 10.860 5.535 1.00 0.00 H new ATOM 0 HA ALA A 67 4.025 9.354 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.211 8.494 7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.601 10.228 7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.021 9.703 8.424 1.00 0.00 H new ATOM 976 N TYR A 68 2.598 7.207 6.121 1.00 0.00 N ATOM 977 CA TYR A 68 1.685 6.082 5.957 1.00 0.00 C ATOM 978 C TYR A 68 2.038 4.948 6.913 1.00 0.00 C ATOM 979 O TYR A 68 3.076 4.981 7.576 1.00 0.00 O ATOM 980 CB TYR A 68 1.721 5.577 4.513 1.00 0.00 C ATOM 981 CG TYR A 68 2.982 5.953 3.771 1.00 0.00 C ATOM 982 CD1 TYR A 68 3.099 7.184 3.138 1.00 0.00 C ATOM 983 CD2 TYR A 68 4.060 5.078 3.703 1.00 0.00 C ATOM 984 CE1 TYR A 68 4.250 7.532 2.457 1.00 0.00 C ATOM 985 CE2 TYR A 68 5.215 5.418 3.027 1.00 0.00 C ATOM 986 CZ TYR A 68 5.305 6.646 2.404 1.00 0.00 C ATOM 987 OH TYR A 68 6.454 6.990 1.729 1.00 0.00 O ATOM 0 H TYR A 68 3.576 6.942 6.238 1.00 0.00 H new ATOM 0 HA TYR A 68 0.678 6.427 6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.620 4.492 4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.861 5.976 3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.276 7.882 3.179 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.993 4.115 4.188 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.323 8.493 1.969 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.044 4.726 2.986 1.00 0.00 H new ATOM 0 HH TYR A 68 6.663 7.932 1.898 1.00 0.00 H new ATOM 997 N SER A 69 1.170 3.945 6.979 1.00 0.00 N ATOM 998 CA SER A 69 1.387 2.801 7.856 1.00 0.00 C ATOM 999 C SER A 69 1.200 1.490 7.097 1.00 0.00 C ATOM 1000 O SER A 69 0.241 1.329 6.342 1.00 0.00 O ATOM 1001 CB SER A 69 0.427 2.855 9.047 1.00 0.00 C ATOM 1002 OG SER A 69 1.020 3.518 10.150 1.00 0.00 O ATOM 0 H SER A 69 0.308 3.901 6.435 1.00 0.00 H new ATOM 0 HA SER A 69 2.413 2.845 8.222 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.488 3.371 8.757 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.144 1.843 9.336 1.00 0.00 H new ATOM 0 HG SER A 69 1.866 3.079 10.379 1.00 0.00 H new ATOM 1008 N ILE A 70 2.124 0.558 7.304 1.00 0.00 N ATOM 1009 CA ILE A 70 2.062 -0.738 6.640 1.00 0.00 C ATOM 1010 C ILE A 70 1.642 -1.835 7.614 1.00 0.00 C ATOM 1011 O ILE A 70 2.337 -2.109 8.592 1.00 0.00 O ATOM 1012 CB ILE A 70 3.418 -1.116 6.013 1.00 0.00 C ATOM 1013 CG1 ILE A 70 3.463 -0.684 4.546 1.00 0.00 C ATOM 1014 CG2 ILE A 70 3.661 -2.611 6.139 1.00 0.00 C ATOM 1015 CD1 ILE A 70 4.863 -0.632 3.975 1.00 0.00 C ATOM 0 H ILE A 70 2.924 0.676 7.926 1.00 0.00 H new ATOM 0 HA ILE A 70 1.317 -0.652 5.849 1.00 0.00 H new ATOM 0 HB ILE A 70 4.209 -0.594 6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.863 -1.375 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.004 0.300 4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.623 -2.862 5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.667 -2.891 7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.868 -3.153 5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.819 -0.319 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.461 0.080 4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.319 -1.620 4.038 1.00 0.00 H new ATOM 1027 N GLN A 71 0.501 -2.458 7.338 1.00 0.00 N ATOM 1028 CA GLN A 71 -0.010 -3.526 8.188 1.00 0.00 C ATOM 1029 C GLN A 71 -0.043 -4.853 7.437 1.00 0.00 C ATOM 1030 O GLN A 71 -0.073 -4.881 6.207 1.00 0.00 O ATOM 1031 CB GLN A 71 -1.411 -3.177 8.695 1.00 0.00 C ATOM 1032 CG GLN A 71 -1.608 -1.695 8.967 1.00 0.00 C ATOM 1033 CD GLN A 71 -2.501 -1.435 10.165 1.00 0.00 C ATOM 1034 OE1 GLN A 71 -2.543 -2.227 11.105 1.00 0.00 O ATOM 1035 NE2 GLN A 71 -3.222 -0.321 10.134 1.00 0.00 N ATOM 0 H GLN A 71 -0.087 -2.242 6.533 1.00 0.00 H new ATOM 0 HA GLN A 71 0.662 -3.630 9.040 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.146 -3.504 7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.606 -3.735 9.611 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.637 -1.228 9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.042 -1.222 8.086 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.156 0.307 9.333 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.843 -0.093 10.911 1.00 0.00 H new ATOM 1044 N VAL A 72 -0.039 -5.952 8.186 1.00 0.00 N ATOM 1045 CA VAL A 72 -0.070 -7.282 7.590 1.00 0.00 C ATOM 1046 C VAL A 72 -0.964 -8.222 8.391 1.00 0.00 C ATOM 1047 O VAL A 72 -1.321 -7.933 9.532 1.00 0.00 O ATOM 1048 CB VAL A 72 1.343 -7.889 7.499 1.00 0.00 C ATOM 1049 CG1 VAL A 72 2.202 -7.099 6.522 1.00 0.00 C ATOM 1050 CG2 VAL A 72 1.992 -7.936 8.874 1.00 0.00 C ATOM 0 H VAL A 72 -0.015 -5.947 9.206 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.475 -7.169 6.584 1.00 0.00 H new ATOM 0 HB VAL A 72 1.258 -8.910 7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.196 -7.542 6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.743 -7.122 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.282 -6.066 6.861 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.989 -8.368 8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.066 -6.926 9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.386 -8.549 9.542 1.00 0.00 H new ATOM 1060 N SER A 73 -1.321 -9.350 7.784 1.00 0.00 N ATOM 1061 CA SER A 73 -2.177 -10.331 8.440 1.00 0.00 C ATOM 1062 C SER A 73 -1.343 -11.434 9.084 1.00 0.00 C ATOM 1063 O SER A 73 -0.590 -12.135 8.407 1.00 0.00 O ATOM 1064 CB SER A 73 -3.155 -10.939 7.433 1.00 0.00 C ATOM 1065 OG SER A 73 -2.549 -11.993 6.705 1.00 0.00 O ATOM 0 H SER A 73 -1.031 -9.606 6.840 1.00 0.00 H new ATOM 0 HA SER A 73 -2.740 -9.821 9.221 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.035 -11.313 7.956 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.499 -10.168 6.744 1.00 0.00 H new ATOM 0 HG SER A 73 -1.594 -12.034 6.923 1.00 0.00 H new ATOM 1071 N ASN A 74 -1.482 -11.582 10.398 1.00 0.00 N ATOM 1072 CA ASN A 74 -0.742 -12.600 11.135 1.00 0.00 C ATOM 1073 C ASN A 74 -1.103 -12.567 12.617 1.00 0.00 C ATOM 1074 O ASN A 74 -1.633 -11.574 13.116 1.00 0.00 O ATOM 1075 CB ASN A 74 0.763 -12.391 10.960 1.00 0.00 C ATOM 1076 CG ASN A 74 1.465 -13.639 10.458 1.00 0.00 C ATOM 1077 OD1 ASN A 74 2.425 -14.111 11.067 1.00 0.00 O ATOM 1078 ND2 ASN A 74 0.988 -14.176 9.341 1.00 0.00 N ATOM 0 H ASN A 74 -2.100 -11.010 10.974 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.016 -13.576 10.734 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.935 -11.574 10.259 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.199 -12.091 11.913 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.420 -15.015 8.954 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.190 -13.750 8.871 1.00 0.00 H new ATOM 1085 N ASP A 75 -0.811 -13.660 13.314 1.00 0.00 N ATOM 1086 CA ASP A 75 -1.103 -13.757 14.740 1.00 0.00 C ATOM 1087 C ASP A 75 -0.592 -15.076 15.311 1.00 0.00 C ATOM 1088 O ASP A 75 0.020 -15.107 16.378 1.00 0.00 O ATOM 1089 CB ASP A 75 -2.607 -13.629 14.985 1.00 0.00 C ATOM 1090 CG ASP A 75 -2.925 -12.983 16.320 1.00 0.00 C ATOM 1091 OD1 ASP A 75 -2.138 -12.121 16.763 1.00 0.00 O ATOM 1092 OD2 ASP A 75 -3.959 -13.341 16.922 1.00 0.00 O ATOM 0 H ASP A 75 -0.373 -14.490 12.915 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.590 -12.940 15.247 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.053 -13.039 14.184 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.064 -14.618 14.946 1.00 0.00 H new ATOM 1097 N SER A 76 -0.851 -16.165 14.593 1.00 0.00 N ATOM 1098 CA SER A 76 -0.423 -17.489 15.031 1.00 0.00 C ATOM 1099 C SER A 76 0.679 -18.030 14.125 1.00 0.00 C ATOM 1100 O SER A 76 1.461 -18.890 14.525 1.00 0.00 O ATOM 1101 CB SER A 76 -1.609 -18.454 15.043 1.00 0.00 C ATOM 1102 OG SER A 76 -1.208 -19.760 14.667 1.00 0.00 O ATOM 0 H SER A 76 -1.355 -16.156 13.706 1.00 0.00 H new ATOM 0 HA SER A 76 -0.027 -17.400 16.043 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.052 -18.479 16.039 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.380 -18.096 14.360 1.00 0.00 H new ATOM 0 HG SER A 76 -1.984 -20.358 14.684 1.00 0.00 H new ATOM 1108 N GLY A 77 0.734 -17.517 12.899 1.00 0.00 N ATOM 1109 CA GLY A 77 1.742 -17.960 11.954 1.00 0.00 C ATOM 1110 C GLY A 77 1.140 -18.460 10.655 1.00 0.00 C ATOM 1111 O GLY A 77 1.524 -18.015 9.574 1.00 0.00 O ATOM 0 H GLY A 77 0.098 -16.803 12.544 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.423 -17.136 11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.335 -18.755 12.406 1.00 0.00 H new ATOM 1115 N SER A 78 0.194 -19.387 10.762 1.00 0.00 N ATOM 1116 CA SER A 78 -0.459 -19.952 9.586 1.00 0.00 C ATOM 1117 C SER A 78 -1.876 -19.408 9.438 1.00 0.00 C ATOM 1118 O SER A 78 -2.426 -19.365 8.337 1.00 0.00 O ATOM 1119 CB SER A 78 -0.492 -21.479 9.680 1.00 0.00 C ATOM 1120 OG SER A 78 -0.946 -22.054 8.466 1.00 0.00 O ATOM 0 H SER A 78 -0.138 -19.763 11.650 1.00 0.00 H new ATOM 0 HA SER A 78 0.116 -19.662 8.706 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.504 -21.854 9.914 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.146 -21.782 10.497 1.00 0.00 H new ATOM 0 HG SER A 78 -0.957 -23.030 8.550 1.00 0.00 H new ATOM 1126 N THR A 79 -2.463 -18.993 10.556 1.00 0.00 N ATOM 1127 CA THR A 79 -3.817 -18.452 10.552 1.00 0.00 C ATOM 1128 C THR A 79 -3.818 -16.967 10.896 1.00 0.00 C ATOM 1129 O THR A 79 -4.127 -16.565 12.018 1.00 0.00 O ATOM 1130 CB THR A 79 -4.722 -19.198 11.550 1.00 0.00 C ATOM 1131 OG1 THR A 79 -4.713 -20.602 11.264 1.00 0.00 O ATOM 1132 CG2 THR A 79 -6.148 -18.671 11.487 1.00 0.00 C ATOM 0 H THR A 79 -2.022 -19.021 11.476 1.00 0.00 H new ATOM 0 HA THR A 79 -4.208 -18.589 9.544 1.00 0.00 H new ATOM 0 HB THR A 79 -4.334 -19.030 12.555 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.289 -21.070 11.904 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.768 -19.213 12.201 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.155 -17.609 11.734 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.544 -18.812 10.481 1.00 0.00 H new ATOM 1140 N PRO A 80 -3.463 -16.131 9.909 1.00 0.00 N ATOM 1141 CA PRO A 80 -3.416 -14.676 10.084 1.00 0.00 C ATOM 1142 C PRO A 80 -4.806 -14.065 10.236 1.00 0.00 C ATOM 1143 O PRO A 80 -5.742 -14.441 9.530 1.00 0.00 O ATOM 1144 CB PRO A 80 -2.755 -14.185 8.793 1.00 0.00 C ATOM 1145 CG PRO A 80 -3.055 -15.243 7.787 1.00 0.00 C ATOM 1146 CD PRO A 80 -3.082 -16.540 8.547 1.00 0.00 C ATOM 0 HA PRO A 80 -2.880 -14.391 10.989 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.157 -13.220 8.485 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.681 -14.056 8.923 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.011 -15.057 7.298 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.296 -15.265 7.005 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.802 -17.240 8.122 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.110 -17.034 8.533 1.00 0.00 H new ATOM 1154 N THR A 81 -4.932 -13.118 11.160 1.00 0.00 N ATOM 1155 CA THR A 81 -6.206 -12.455 11.405 1.00 0.00 C ATOM 1156 C THR A 81 -6.000 -11.074 12.015 1.00 0.00 C ATOM 1157 O THR A 81 -6.737 -10.136 11.716 1.00 0.00 O ATOM 1158 CB THR A 81 -7.102 -13.289 12.341 1.00 0.00 C ATOM 1159 OG1 THR A 81 -6.358 -13.697 13.495 1.00 0.00 O ATOM 1160 CG2 THR A 81 -7.645 -14.514 11.622 1.00 0.00 C ATOM 0 H THR A 81 -4.167 -12.793 11.751 1.00 0.00 H new ATOM 0 HA THR A 81 -6.699 -12.351 10.438 1.00 0.00 H new ATOM 0 HB THR A 81 -7.943 -12.668 12.651 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.934 -14.225 14.086 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.274 -15.087 12.303 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.235 -14.199 10.761 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.815 -15.136 11.285 1.00 0.00 H new ATOM 1168 N ASN A 82 -4.991 -10.956 12.873 1.00 0.00 N ATOM 1169 CA ASN A 82 -4.687 -9.688 13.526 1.00 0.00 C ATOM 1170 C ASN A 82 -4.039 -8.714 12.547 1.00 0.00 C ATOM 1171 O ASN A 82 -3.231 -9.108 11.708 1.00 0.00 O ATOM 1172 CB ASN A 82 -3.761 -9.916 14.723 1.00 0.00 C ATOM 1173 CG ASN A 82 -4.364 -9.416 16.023 1.00 0.00 C ATOM 1174 OD1 ASN A 82 -5.494 -9.760 16.368 1.00 0.00 O ATOM 1175 ND2 ASN A 82 -3.609 -8.601 16.749 1.00 0.00 N ATOM 0 H ASN A 82 -4.371 -11.723 13.132 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.624 -9.255 13.877 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -3.542 -10.980 14.812 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.812 -9.409 14.547 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.960 -8.233 17.633 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.678 -8.343 16.423 1.00 0.00 H new ATOM 1182 N TRP A 83 -4.402 -7.441 12.661 1.00 0.00 N ATOM 1183 CA TRP A 83 -3.856 -6.409 11.786 1.00 0.00 C ATOM 1184 C TRP A 83 -3.226 -5.284 12.599 1.00 0.00 C ATOM 1185 O TRP A 83 -3.896 -4.632 13.400 1.00 0.00 O ATOM 1186 CB TRP A 83 -4.952 -5.849 10.878 1.00 0.00 C ATOM 1187 CG TRP A 83 -4.885 -6.368 9.475 1.00 0.00 C ATOM 1188 CD1 TRP A 83 -4.286 -7.521 9.055 1.00 0.00 C ATOM 1189 CD2 TRP A 83 -5.437 -5.752 8.306 1.00 0.00 C ATOM 1190 NE1 TRP A 83 -4.431 -7.660 7.697 1.00 0.00 N ATOM 1191 CE2 TRP A 83 -5.134 -6.589 7.212 1.00 0.00 C ATOM 1192 CE3 TRP A 83 -6.158 -4.578 8.076 1.00 0.00 C ATOM 1193 CZ2 TRP A 83 -5.527 -6.284 5.912 1.00 0.00 C ATOM 1194 CZ3 TRP A 83 -6.548 -4.278 6.785 1.00 0.00 C ATOM 1195 CH2 TRP A 83 -6.233 -5.128 5.716 1.00 0.00 C ATOM 0 H TRP A 83 -5.072 -7.099 13.350 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.081 -6.863 11.169 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -5.926 -6.095 11.302 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -4.878 -4.762 10.859 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -3.773 -8.221 9.697 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.073 -8.435 7.139 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -6.406 -3.917 8.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -5.283 -6.937 5.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -7.105 -3.372 6.596 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -6.554 -4.866 4.719 1.00 0.00 H new ATOM 1206 N THR A 84 -1.933 -5.060 12.387 1.00 0.00 N ATOM 1207 CA THR A 84 -1.212 -4.013 13.101 1.00 0.00 C ATOM 1208 C THR A 84 -0.209 -3.317 12.190 1.00 0.00 C ATOM 1209 O THR A 84 0.376 -3.939 11.301 1.00 0.00 O ATOM 1210 CB THR A 84 -0.469 -4.578 14.327 1.00 0.00 C ATOM 1211 OG1 THR A 84 -0.963 -5.885 14.639 1.00 0.00 O ATOM 1212 CG2 THR A 84 -0.641 -3.665 15.531 1.00 0.00 C ATOM 0 H THR A 84 -1.364 -5.589 11.727 1.00 0.00 H new ATOM 0 HA THR A 84 -1.956 -3.290 13.437 1.00 0.00 H new ATOM 0 HB THR A 84 0.592 -4.639 14.086 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.485 -6.238 15.418 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.108 -4.084 16.384 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.238 -2.679 15.300 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.700 -3.577 15.772 1.00 0.00 H new ATOM 1220 N THR A 85 -0.011 -2.022 12.414 1.00 0.00 N ATOM 1221 CA THR A 85 0.923 -1.240 11.613 1.00 0.00 C ATOM 1222 C THR A 85 2.367 -1.610 11.934 1.00 0.00 C ATOM 1223 O THR A 85 2.663 -2.113 13.017 1.00 0.00 O ATOM 1224 CB THR A 85 0.730 0.271 11.839 1.00 0.00 C ATOM 1225 OG1 THR A 85 1.017 0.603 13.202 1.00 0.00 O ATOM 1226 CG2 THR A 85 -0.692 0.692 11.498 1.00 0.00 C ATOM 0 H THR A 85 -0.486 -1.492 13.145 1.00 0.00 H new ATOM 0 HA THR A 85 0.715 -1.473 10.569 1.00 0.00 H new ATOM 0 HB THR A 85 1.417 0.805 11.183 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.894 1.566 13.337 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.804 1.763 11.665 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.898 0.465 10.452 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.394 0.150 12.132 1.00 0.00 H new ATOM 1234 N VAL A 86 3.262 -1.356 10.985 1.00 0.00 N ATOM 1235 CA VAL A 86 4.677 -1.660 11.168 1.00 0.00 C ATOM 1236 C VAL A 86 5.534 -0.411 11.001 1.00 0.00 C ATOM 1237 O VAL A 86 6.701 -0.391 11.390 1.00 0.00 O ATOM 1238 CB VAL A 86 5.153 -2.734 10.171 1.00 0.00 C ATOM 1239 CG1 VAL A 86 6.537 -3.237 10.549 1.00 0.00 C ATOM 1240 CG2 VAL A 86 4.157 -3.882 10.109 1.00 0.00 C ATOM 0 H VAL A 86 3.033 -0.941 10.082 1.00 0.00 H new ATOM 0 HA VAL A 86 4.791 -2.041 12.183 1.00 0.00 H new ATOM 0 HB VAL A 86 5.215 -2.284 9.180 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.857 -3.995 9.834 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.242 -2.406 10.537 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.506 -3.671 11.548 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.509 -4.631 9.400 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.060 -4.334 11.096 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.187 -3.505 9.786 1.00 0.00 H new ATOM 1250 N TYR A 87 4.946 0.629 10.419 1.00 0.00 N ATOM 1251 CA TYR A 87 5.657 1.883 10.199 1.00 0.00 C ATOM 1252 C TYR A 87 4.747 3.079 10.460 1.00 0.00 C ATOM 1253 O TYR A 87 3.548 3.033 10.182 1.00 0.00 O ATOM 1254 CB TYR A 87 6.198 1.942 8.769 1.00 0.00 C ATOM 1255 CG TYR A 87 7.156 3.087 8.531 1.00 0.00 C ATOM 1256 CD1 TYR A 87 8.483 3.002 8.933 1.00 0.00 C ATOM 1257 CD2 TYR A 87 6.735 4.253 7.905 1.00 0.00 C ATOM 1258 CE1 TYR A 87 9.363 4.047 8.719 1.00 0.00 C ATOM 1259 CE2 TYR A 87 7.607 5.301 7.685 1.00 0.00 C ATOM 1260 CZ TYR A 87 8.920 5.194 8.094 1.00 0.00 C ATOM 1261 OH TYR A 87 9.792 6.235 7.878 1.00 0.00 O ATOM 0 H TYR A 87 3.980 0.628 10.092 1.00 0.00 H new ATOM 0 HA TYR A 87 6.492 1.926 10.899 1.00 0.00 H new ATOM 0 HB2 TYR A 87 6.703 1.003 8.542 1.00 0.00 H new ATOM 0 HB3 TYR A 87 5.361 2.030 8.076 1.00 0.00 H new ATOM 0 HD1 TYR A 87 8.833 2.104 9.421 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.707 4.342 7.585 1.00 0.00 H new ATOM 0 HE1 TYR A 87 10.391 3.966 9.039 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.263 6.200 7.195 1.00 0.00 H new ATOM 0 HH TYR A 87 9.355 6.919 7.329 1.00 0.00 H new ATOM 1271 N SER A 88 5.325 4.148 10.997 1.00 0.00 N ATOM 1272 CA SER A 88 4.567 5.357 11.300 1.00 0.00 C ATOM 1273 C SER A 88 5.414 6.346 12.092 1.00 0.00 C ATOM 1274 O SER A 88 6.326 5.956 12.823 1.00 0.00 O ATOM 1275 CB SER A 88 3.302 5.006 12.086 1.00 0.00 C ATOM 1276 OG SER A 88 3.557 3.980 13.030 1.00 0.00 O ATOM 0 H SER A 88 6.316 4.202 11.232 1.00 0.00 H new ATOM 0 HA SER A 88 4.283 5.824 10.357 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.931 5.893 12.599 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.520 4.685 11.398 1.00 0.00 H new ATOM 0 HG SER A 88 2.734 3.775 13.520 1.00 0.00 H new ATOM 1282 N THR A 89 5.107 7.631 11.944 1.00 0.00 N ATOM 1283 CA THR A 89 5.841 8.679 12.644 1.00 0.00 C ATOM 1284 C THR A 89 5.238 10.051 12.367 1.00 0.00 C ATOM 1285 O THR A 89 5.241 10.928 13.231 1.00 0.00 O ATOM 1286 CB THR A 89 7.327 8.691 12.238 1.00 0.00 C ATOM 1287 OG1 THR A 89 8.044 9.645 13.031 1.00 0.00 O ATOM 1288 CG2 THR A 89 7.481 9.031 10.763 1.00 0.00 C ATOM 0 H THR A 89 4.355 7.971 11.345 1.00 0.00 H new ATOM 0 HA THR A 89 5.765 8.461 13.709 1.00 0.00 H new ATOM 0 HB THR A 89 7.737 7.696 12.410 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.988 9.645 12.768 1.00 0.00 H new ATOM 0 HG21 THR A 89 8.538 9.034 10.499 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.959 8.287 10.162 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.056 10.016 10.570 1.00 0.00 H new ATOM 1296 N THR A 90 4.720 10.231 11.157 1.00 0.00 N ATOM 1297 CA THR A 90 4.113 11.497 10.765 1.00 0.00 C ATOM 1298 C THR A 90 5.162 12.599 10.656 1.00 0.00 C ATOM 1299 O THR A 90 4.999 13.684 11.214 1.00 0.00 O ATOM 1300 CB THR A 90 3.030 11.935 11.769 1.00 0.00 C ATOM 1301 OG1 THR A 90 2.485 10.788 12.432 1.00 0.00 O ATOM 1302 CG2 THR A 90 1.916 12.696 11.065 1.00 0.00 C ATOM 0 H THR A 90 4.708 9.515 10.430 1.00 0.00 H new ATOM 0 HA THR A 90 3.653 11.338 9.790 1.00 0.00 H new ATOM 0 HB THR A 90 3.492 12.595 12.504 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.798 11.074 13.070 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.163 12.995 11.794 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.329 13.583 10.585 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.458 12.055 10.312 1.00 0.00 H new ATOM 1310 N THR A 91 6.240 12.313 9.932 1.00 0.00 N ATOM 1311 CA THR A 91 7.316 13.279 9.750 1.00 0.00 C ATOM 1312 C THR A 91 7.731 13.369 8.286 1.00 0.00 C ATOM 1313 O THR A 91 8.690 14.060 7.944 1.00 0.00 O ATOM 1314 CB THR A 91 8.548 12.915 10.599 1.00 0.00 C ATOM 1315 OG1 THR A 91 9.317 11.904 9.939 1.00 0.00 O ATOM 1316 CG2 THR A 91 8.129 12.421 11.976 1.00 0.00 C ATOM 0 H THR A 91 6.391 11.420 9.462 1.00 0.00 H new ATOM 0 HA THR A 91 6.932 14.245 10.077 1.00 0.00 H new ATOM 0 HB THR A 91 9.156 13.812 10.720 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.099 11.680 10.485 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.016 12.170 12.558 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.569 13.203 12.488 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.502 11.536 11.870 1.00 0.00 H new ATOM 1324 N GLY A 92 7.002 12.666 7.424 1.00 0.00 N ATOM 1325 CA GLY A 92 7.311 12.682 6.005 1.00 0.00 C ATOM 1326 C GLY A 92 7.098 14.046 5.381 1.00 0.00 C ATOM 1327 O GLY A 92 6.855 15.028 6.084 1.00 0.00 O ATOM 0 H GLY A 92 6.204 12.086 7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.347 12.377 5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.687 11.950 5.492 1.00 0.00 H new ATOM 1331 N ASP A 93 7.190 14.110 4.058 1.00 0.00 N ATOM 1332 CA ASP A 93 7.006 15.365 3.337 1.00 0.00 C ATOM 1333 C ASP A 93 6.693 15.107 1.867 1.00 0.00 C ATOM 1334 O ASP A 93 6.952 15.950 1.009 1.00 0.00 O ATOM 1335 CB ASP A 93 8.257 16.236 3.460 1.00 0.00 C ATOM 1336 CG ASP A 93 7.958 17.709 3.269 1.00 0.00 C ATOM 1337 OD1 ASP A 93 7.289 18.297 4.145 1.00 0.00 O ATOM 1338 OD2 ASP A 93 8.391 18.276 2.244 1.00 0.00 O ATOM 0 H ASP A 93 7.391 13.307 3.462 1.00 0.00 H new ATOM 0 HA ASP A 93 6.161 15.891 3.782 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.707 16.084 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.991 15.918 2.720 1.00 0.00 H new ATOM 1343 N GLY A 94 6.134 13.935 1.583 1.00 0.00 N ATOM 1344 CA GLY A 94 5.795 13.586 0.215 1.00 0.00 C ATOM 1345 C GLY A 94 6.911 12.837 -0.485 1.00 0.00 C ATOM 1346 O GLY A 94 6.851 12.606 -1.692 1.00 0.00 O ATOM 0 H GLY A 94 5.910 13.221 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.893 12.974 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.566 14.494 -0.342 1.00 0.00 H new ATOM 1350 N ALA A 95 7.935 12.460 0.273 1.00 0.00 N ATOM 1351 CA ALA A 95 9.070 11.733 -0.282 1.00 0.00 C ATOM 1352 C ALA A 95 8.900 10.228 -0.103 1.00 0.00 C ATOM 1353 O ALA A 95 8.060 9.779 0.677 1.00 0.00 O ATOM 1354 CB ALA A 95 10.365 12.201 0.366 1.00 0.00 C ATOM 0 H ALA A 95 8.002 12.646 1.274 1.00 0.00 H new ATOM 0 HA ALA A 95 9.115 11.942 -1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.204 11.650 -0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.500 13.267 0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.319 12.023 1.440 1.00 0.00 H new ATOM 1360 N ILE A 96 9.702 9.456 -0.828 1.00 0.00 N ATOM 1361 CA ILE A 96 9.639 8.002 -0.747 1.00 0.00 C ATOM 1362 C ILE A 96 10.107 7.507 0.616 1.00 0.00 C ATOM 1363 O ILE A 96 11.107 7.987 1.153 1.00 0.00 O ATOM 1364 CB ILE A 96 10.495 7.341 -1.843 1.00 0.00 C ATOM 1365 CG1 ILE A 96 10.266 8.033 -3.188 1.00 0.00 C ATOM 1366 CG2 ILE A 96 10.173 5.857 -1.944 1.00 0.00 C ATOM 1367 CD1 ILE A 96 11.456 8.838 -3.664 1.00 0.00 C ATOM 0 H ILE A 96 10.403 9.813 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 96 8.596 7.722 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 96 11.546 7.448 -1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.023 7.280 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.401 8.692 -3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.786 5.404 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.383 5.373 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.119 5.729 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 96 11.222 9.300 -4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.686 9.614 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.318 8.180 -3.779 1.00 0.00 H new ATOM 1379 N ASP A 97 9.381 6.543 1.170 1.00 0.00 N ATOM 1380 CA ASP A 97 9.724 5.979 2.471 1.00 0.00 C ATOM 1381 C ASP A 97 10.052 4.493 2.350 1.00 0.00 C ATOM 1382 O ASP A 97 9.243 3.707 1.858 1.00 0.00 O ATOM 1383 CB ASP A 97 8.573 6.181 3.458 1.00 0.00 C ATOM 1384 CG ASP A 97 9.032 6.129 4.901 1.00 0.00 C ATOM 1385 OD1 ASP A 97 9.698 5.141 5.278 1.00 0.00 O ATOM 1386 OD2 ASP A 97 8.727 7.076 5.655 1.00 0.00 O ATOM 0 H ASP A 97 8.551 6.135 0.739 1.00 0.00 H new ATOM 0 HA ASP A 97 10.607 6.499 2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.098 7.143 3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.817 5.413 3.292 1.00 0.00 H new ATOM 1391 N ASP A 98 11.244 4.118 2.801 1.00 0.00 N ATOM 1392 CA ASP A 98 11.679 2.728 2.744 1.00 0.00 C ATOM 1393 C ASP A 98 11.611 2.079 4.123 1.00 0.00 C ATOM 1394 O ASP A 98 12.240 2.548 5.072 1.00 0.00 O ATOM 1395 CB ASP A 98 13.105 2.639 2.195 1.00 0.00 C ATOM 1396 CG ASP A 98 13.754 1.301 2.485 1.00 0.00 C ATOM 1397 OD1 ASP A 98 14.307 1.135 3.593 1.00 0.00 O ATOM 1398 OD2 ASP A 98 13.710 0.417 1.603 1.00 0.00 O ATOM 0 H ASP A 98 11.926 4.757 3.210 1.00 0.00 H new ATOM 0 HA ASP A 98 11.006 2.191 2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.088 2.805 1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.709 3.435 2.631 1.00 0.00 H new ATOM 1403 N ILE A 99 10.844 0.999 4.226 1.00 0.00 N ATOM 1404 CA ILE A 99 10.693 0.287 5.489 1.00 0.00 C ATOM 1405 C ILE A 99 11.541 -0.980 5.510 1.00 0.00 C ATOM 1406 O ILE A 99 11.698 -1.653 4.490 1.00 0.00 O ATOM 1407 CB ILE A 99 9.224 -0.088 5.752 1.00 0.00 C ATOM 1408 CG1 ILE A 99 8.388 1.172 5.997 1.00 0.00 C ATOM 1409 CG2 ILE A 99 9.122 -1.035 6.939 1.00 0.00 C ATOM 1410 CD1 ILE A 99 7.138 1.241 5.150 1.00 0.00 C ATOM 0 H ILE A 99 10.317 0.598 3.450 1.00 0.00 H new ATOM 0 HA ILE A 99 11.033 0.962 6.274 1.00 0.00 H new ATOM 0 HB ILE A 99 8.832 -0.597 4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.107 1.213 7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.002 2.050 5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.077 -1.291 7.112 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.688 -1.943 6.730 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.529 -0.551 7.827 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.596 2.159 5.376 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.412 1.232 4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.503 0.382 5.367 1.00 0.00 H new ATOM 1422 N THR A 100 12.086 -1.303 6.679 1.00 0.00 N ATOM 1423 CA THR A 100 12.917 -2.490 6.834 1.00 0.00 C ATOM 1424 C THR A 100 12.728 -3.118 8.209 1.00 0.00 C ATOM 1425 O THR A 100 12.911 -2.461 9.234 1.00 0.00 O ATOM 1426 CB THR A 100 14.408 -2.161 6.633 1.00 0.00 C ATOM 1427 OG1 THR A 100 14.920 -1.485 7.786 1.00 0.00 O ATOM 1428 CG2 THR A 100 14.610 -1.294 5.400 1.00 0.00 C ATOM 0 H THR A 100 11.966 -0.758 7.533 1.00 0.00 H new ATOM 0 HA THR A 100 12.602 -3.199 6.068 1.00 0.00 H new ATOM 0 HB THR A 100 14.948 -3.097 6.491 1.00 0.00 H new ATOM 0 HG1 THR A 100 14.276 -1.559 8.521 1.00 0.00 H new ATOM 0 HG21 THR A 100 15.671 -1.075 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 100 14.246 -1.823 4.519 1.00 0.00 H new ATOM 0 HG23 THR A 100 14.058 -0.361 5.517 1.00 0.00 H new ATOM 1436 N PHE A 101 12.359 -4.395 8.225 1.00 0.00 N ATOM 1437 CA PHE A 101 12.144 -5.113 9.477 1.00 0.00 C ATOM 1438 C PHE A 101 12.628 -6.555 9.366 1.00 0.00 C ATOM 1439 O PHE A 101 13.216 -6.949 8.359 1.00 0.00 O ATOM 1440 CB PHE A 101 10.662 -5.087 9.856 1.00 0.00 C ATOM 1441 CG PHE A 101 10.214 -3.775 10.433 1.00 0.00 C ATOM 1442 CD1 PHE A 101 9.755 -2.760 9.607 1.00 0.00 C ATOM 1443 CD2 PHE A 101 10.250 -3.556 11.800 1.00 0.00 C ATOM 1444 CE1 PHE A 101 9.343 -1.552 10.136 1.00 0.00 C ATOM 1445 CE2 PHE A 101 9.838 -2.349 12.334 1.00 0.00 C ATOM 1446 CZ PHE A 101 9.384 -1.346 11.501 1.00 0.00 C ATOM 0 H PHE A 101 12.203 -4.954 7.386 1.00 0.00 H new ATOM 0 HA PHE A 101 12.720 -4.615 10.257 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.065 -5.309 8.971 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.466 -5.879 10.579 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.719 -2.915 8.539 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.604 -4.337 12.457 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.989 -0.769 9.482 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.871 -2.191 13.402 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.062 -0.402 11.916 1.00 0.00 H new ATOM 1456 N ALA A 102 12.375 -7.340 10.408 1.00 0.00 N ATOM 1457 CA ALA A 102 12.783 -8.739 10.429 1.00 0.00 C ATOM 1458 C ALA A 102 11.877 -9.587 9.543 1.00 0.00 C ATOM 1459 O ALA A 102 10.745 -9.205 9.249 1.00 0.00 O ATOM 1460 CB ALA A 102 12.777 -9.270 11.854 1.00 0.00 C ATOM 0 H ALA A 102 11.889 -7.030 11.249 1.00 0.00 H new ATOM 0 HA ALA A 102 13.797 -8.802 10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.084 -10.316 11.854 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.470 -8.689 12.462 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.773 -9.187 12.269 1.00 0.00 H new ATOM 1466 N ALA A 103 12.383 -10.742 9.119 1.00 0.00 N ATOM 1467 CA ALA A 103 11.619 -11.644 8.268 1.00 0.00 C ATOM 1468 C ALA A 103 10.357 -12.129 8.974 1.00 0.00 C ATOM 1469 O ALA A 103 10.426 -12.759 10.029 1.00 0.00 O ATOM 1470 CB ALA A 103 12.478 -12.828 7.848 1.00 0.00 C ATOM 0 H ALA A 103 13.319 -11.074 9.352 1.00 0.00 H new ATOM 0 HA ALA A 103 11.317 -11.093 7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.894 -13.494 7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.347 -12.469 7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.809 -13.370 8.734 1.00 0.00 H new ATOM 1476 N THR A 104 9.203 -11.828 8.386 1.00 0.00 N ATOM 1477 CA THR A 104 7.925 -12.232 8.960 1.00 0.00 C ATOM 1478 C THR A 104 6.976 -12.741 7.882 1.00 0.00 C ATOM 1479 O THR A 104 6.896 -12.175 6.793 1.00 0.00 O ATOM 1480 CB THR A 104 7.254 -11.067 9.710 1.00 0.00 C ATOM 1481 OG1 THR A 104 7.429 -9.848 8.980 1.00 0.00 O ATOM 1482 CG2 THR A 104 7.838 -10.914 11.107 1.00 0.00 C ATOM 0 H THR A 104 9.127 -11.306 7.513 1.00 0.00 H new ATOM 0 HA THR A 104 8.134 -13.036 9.665 1.00 0.00 H new ATOM 0 HB THR A 104 6.190 -11.288 9.799 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.998 -9.113 9.463 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.348 -10.085 11.617 1.00 0.00 H new ATOM 0 HG22 THR A 104 7.678 -11.833 11.671 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.907 -10.715 11.035 1.00 0.00 H new ATOM 1490 N ASN A 105 6.255 -13.815 8.194 1.00 0.00 N ATOM 1491 CA ASN A 105 5.310 -14.401 7.251 1.00 0.00 C ATOM 1492 C ASN A 105 3.963 -13.688 7.317 1.00 0.00 C ATOM 1493 O ASN A 105 3.447 -13.413 8.401 1.00 0.00 O ATOM 1494 CB ASN A 105 5.125 -15.891 7.542 1.00 0.00 C ATOM 1495 CG ASN A 105 5.030 -16.183 9.027 1.00 0.00 C ATOM 1496 OD1 ASN A 105 6.042 -16.398 9.694 1.00 0.00 O ATOM 1497 ND2 ASN A 105 3.810 -16.190 9.552 1.00 0.00 N ATOM 0 H ASN A 105 6.308 -14.296 9.092 1.00 0.00 H new ATOM 0 HA ASN A 105 5.716 -14.281 6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.221 -16.246 7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.961 -16.448 7.118 1.00 0.00 H new ATOM 0 HD21 ASN A 105 3.684 -16.379 10.546 1.00 0.00 H new ATOM 0 HD22 ASN A 105 2.999 -16.006 8.961 1.00 0.00 H new ATOM 1504 N ALA A 106 3.400 -13.390 6.151 1.00 0.00 N ATOM 1505 CA ALA A 106 2.111 -12.712 6.076 1.00 0.00 C ATOM 1506 C ALA A 106 1.411 -13.007 4.754 1.00 0.00 C ATOM 1507 O ALA A 106 2.045 -13.418 3.782 1.00 0.00 O ATOM 1508 CB ALA A 106 2.294 -11.211 6.255 1.00 0.00 C ATOM 0 H ALA A 106 3.816 -13.607 5.245 1.00 0.00 H new ATOM 0 HA ALA A 106 1.482 -13.090 6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.324 -10.717 6.197 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.745 -11.013 7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.944 -10.827 5.469 1.00 0.00 H new ATOM 1514 N LYS A 107 0.100 -12.794 4.724 1.00 0.00 N ATOM 1515 CA LYS A 107 -0.688 -13.037 3.521 1.00 0.00 C ATOM 1516 C LYS A 107 -0.851 -11.756 2.710 1.00 0.00 C ATOM 1517 O LYS A 107 -0.288 -11.620 1.624 1.00 0.00 O ATOM 1518 CB LYS A 107 -2.062 -13.598 3.891 1.00 0.00 C ATOM 1519 CG LYS A 107 -2.010 -14.996 4.482 1.00 0.00 C ATOM 1520 CD LYS A 107 -1.843 -16.052 3.402 1.00 0.00 C ATOM 1521 CE LYS A 107 -3.174 -16.692 3.037 1.00 0.00 C ATOM 1522 NZ LYS A 107 -3.692 -17.555 4.134 1.00 0.00 N ATOM 0 H LYS A 107 -0.440 -12.453 5.520 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.157 -13.767 2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.538 -12.928 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.691 -13.612 3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.183 -15.063 5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.924 -15.189 5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.400 -15.599 2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.151 -16.820 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.903 -15.913 2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.055 -17.287 2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.378 -18.234 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.902 -18.071 4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.158 -16.963 4.851 1.00 0.00 H new ATOM 1536 N PHE A 108 -1.624 -10.816 3.246 1.00 0.00 N ATOM 1537 CA PHE A 108 -1.861 -9.544 2.572 1.00 0.00 C ATOM 1538 C PHE A 108 -1.292 -8.385 3.384 1.00 0.00 C ATOM 1539 O PHE A 108 -0.898 -8.554 4.538 1.00 0.00 O ATOM 1540 CB PHE A 108 -3.359 -9.336 2.343 1.00 0.00 C ATOM 1541 CG PHE A 108 -4.094 -10.599 1.995 1.00 0.00 C ATOM 1542 CD1 PHE A 108 -3.482 -11.586 1.238 1.00 0.00 C ATOM 1543 CD2 PHE A 108 -5.396 -10.799 2.424 1.00 0.00 C ATOM 1544 CE1 PHE A 108 -4.156 -12.749 0.916 1.00 0.00 C ATOM 1545 CE2 PHE A 108 -6.074 -11.961 2.106 1.00 0.00 C ATOM 1546 CZ PHE A 108 -5.454 -12.936 1.350 1.00 0.00 C ATOM 0 H PHE A 108 -2.097 -10.911 4.145 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.354 -9.571 1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.799 -8.905 3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.498 -8.611 1.541 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.467 -11.445 0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -5.887 -10.039 3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -3.668 -13.511 0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -7.088 -12.106 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.983 -13.843 1.098 1.00 0.00 H new ATOM 1556 N VAL A 109 -1.253 -7.205 2.772 1.00 0.00 N ATOM 1557 CA VAL A 109 -0.733 -6.016 3.437 1.00 0.00 C ATOM 1558 C VAL A 109 -1.665 -4.825 3.240 1.00 0.00 C ATOM 1559 O VAL A 109 -2.401 -4.756 2.256 1.00 0.00 O ATOM 1560 CB VAL A 109 0.668 -5.649 2.916 1.00 0.00 C ATOM 1561 CG1 VAL A 109 1.693 -6.679 3.366 1.00 0.00 C ATOM 1562 CG2 VAL A 109 0.656 -5.523 1.400 1.00 0.00 C ATOM 0 H VAL A 109 -1.575 -7.047 1.817 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.667 -6.251 4.499 1.00 0.00 H new ATOM 0 HB VAL A 109 0.951 -4.684 3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.677 -6.402 2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.719 -6.714 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.418 -7.660 2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.655 -5.263 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.351 -6.472 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.047 -4.744 1.105 1.00 0.00 H new ATOM 1572 N ARG A 110 -1.627 -3.890 4.183 1.00 0.00 N ATOM 1573 CA ARG A 110 -2.469 -2.700 4.113 1.00 0.00 C ATOM 1574 C ARG A 110 -1.639 -1.435 4.308 1.00 0.00 C ATOM 1575 O ARG A 110 -0.718 -1.404 5.122 1.00 0.00 O ATOM 1576 CB ARG A 110 -3.571 -2.768 5.173 1.00 0.00 C ATOM 1577 CG ARG A 110 -4.450 -1.528 5.217 1.00 0.00 C ATOM 1578 CD ARG A 110 -5.220 -1.438 6.525 1.00 0.00 C ATOM 1579 NE ARG A 110 -4.944 -0.194 7.239 1.00 0.00 N ATOM 1580 CZ ARG A 110 -5.623 0.207 8.307 1.00 0.00 C ATOM 1581 NH1 ARG A 110 -6.614 -0.535 8.783 1.00 0.00 N ATOM 1582 NH2 ARG A 110 -5.313 1.351 8.902 1.00 0.00 N ATOM 0 H ARG A 110 -1.023 -3.932 5.004 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.926 -2.665 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.196 -3.640 4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -3.114 -2.914 6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.832 -0.638 5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.150 -1.547 4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.289 -1.510 6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -4.958 -2.285 7.159 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.188 0.399 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.856 -1.416 8.328 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.134 -0.225 9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -4.552 1.925 8.539 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.836 1.657 9.722 1.00 0.00 H new ATOM 1596 N VAL A 111 -1.974 -0.393 3.552 1.00 0.00 N ATOM 1597 CA VAL A 111 -1.260 0.875 3.642 1.00 0.00 C ATOM 1598 C VAL A 111 -2.224 2.033 3.877 1.00 0.00 C ATOM 1599 O VAL A 111 -3.056 2.343 3.024 1.00 0.00 O ATOM 1600 CB VAL A 111 -0.445 1.152 2.364 1.00 0.00 C ATOM 1601 CG1 VAL A 111 0.550 2.277 2.599 1.00 0.00 C ATOM 1602 CG2 VAL A 111 0.266 -0.112 1.903 1.00 0.00 C ATOM 0 H VAL A 111 -2.734 -0.403 2.872 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.579 0.795 4.489 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.131 1.465 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.116 2.458 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.014 3.184 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.234 1.997 3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.837 0.101 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.941 -0.456 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.470 -0.888 1.693 1.00 0.00 H new ATOM 1612 N TYR A 112 -2.106 2.668 5.037 1.00 0.00 N ATOM 1613 CA TYR A 112 -2.968 3.791 5.386 1.00 0.00 C ATOM 1614 C TYR A 112 -2.214 5.112 5.271 1.00 0.00 C ATOM 1615 O TYR A 112 -0.994 5.159 5.423 1.00 0.00 O ATOM 1616 CB TYR A 112 -3.512 3.621 6.805 1.00 0.00 C ATOM 1617 CG TYR A 112 -4.919 4.147 6.980 1.00 0.00 C ATOM 1618 CD1 TYR A 112 -6.018 3.363 6.656 1.00 0.00 C ATOM 1619 CD2 TYR A 112 -5.148 5.427 7.471 1.00 0.00 C ATOM 1620 CE1 TYR A 112 -7.307 3.838 6.814 1.00 0.00 C ATOM 1621 CE2 TYR A 112 -6.432 5.910 7.634 1.00 0.00 C ATOM 1622 CZ TYR A 112 -7.508 5.111 7.304 1.00 0.00 C ATOM 1623 OH TYR A 112 -8.788 5.589 7.463 1.00 0.00 O ATOM 0 H TYR A 112 -1.421 2.424 5.753 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.802 3.809 4.685 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -3.493 2.563 7.068 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -2.851 4.135 7.503 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -5.863 2.365 6.274 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -4.308 6.055 7.729 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -8.151 3.216 6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -6.593 6.907 8.017 1.00 0.00 H new ATOM 0 HH TYR A 112 -8.771 6.389 8.029 1.00 0.00 H new ATOM 1633 N ALA A 113 -2.952 6.185 5.002 1.00 0.00 N ATOM 1634 CA ALA A 113 -2.355 7.509 4.871 1.00 0.00 C ATOM 1635 C ALA A 113 -3.344 8.599 5.268 1.00 0.00 C ATOM 1636 O ALA A 113 -3.070 9.409 6.153 1.00 0.00 O ATOM 1637 CB ALA A 113 -1.869 7.728 3.445 1.00 0.00 C ATOM 0 H ALA A 113 -3.963 6.163 4.871 1.00 0.00 H new ATOM 0 HA ALA A 113 -1.502 7.566 5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.425 8.720 3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.122 6.974 3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -2.711 7.647 2.757 1.00 0.00 H new ATOM 1643 N THR A 114 -4.498 8.615 4.607 1.00 0.00 N ATOM 1644 CA THR A 114 -5.528 9.606 4.890 1.00 0.00 C ATOM 1645 C THR A 114 -4.917 10.988 5.098 1.00 0.00 C ATOM 1646 O THR A 114 -5.354 11.747 5.965 1.00 0.00 O ATOM 1647 CB THR A 114 -6.346 9.226 6.138 1.00 0.00 C ATOM 1648 OG1 THR A 114 -7.411 10.164 6.331 1.00 0.00 O ATOM 1649 CG2 THR A 114 -5.462 9.193 7.376 1.00 0.00 C ATOM 0 H THR A 114 -4.742 7.952 3.871 1.00 0.00 H new ATOM 0 HA THR A 114 -6.190 9.630 4.025 1.00 0.00 H new ATOM 0 HB THR A 114 -6.763 8.231 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 114 -7.046 11.073 6.350 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.062 8.922 8.245 1.00 0.00 H new ATOM 0 HG22 THR A 114 -4.670 8.457 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.019 10.177 7.533 1.00 0.00 H new ATOM 1657 N THR A 115 -3.906 11.310 4.298 1.00 0.00 N ATOM 1658 CA THR A 115 -3.237 12.600 4.394 1.00 0.00 C ATOM 1659 C THR A 115 -3.484 13.444 3.150 1.00 0.00 C ATOM 1660 O THR A 115 -3.735 12.912 2.068 1.00 0.00 O ATOM 1661 CB THR A 115 -1.717 12.432 4.592 1.00 0.00 C ATOM 1662 OG1 THR A 115 -1.055 13.685 4.390 1.00 0.00 O ATOM 1663 CG2 THR A 115 -1.159 11.396 3.629 1.00 0.00 C ATOM 0 H THR A 115 -3.533 10.694 3.576 1.00 0.00 H new ATOM 0 HA THR A 115 -3.657 13.108 5.263 1.00 0.00 H new ATOM 0 HB THR A 115 -1.540 12.090 5.612 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.000 14.167 5.241 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.085 11.294 3.786 1.00 0.00 H new ATOM 0 HG22 THR A 115 -1.645 10.436 3.806 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.347 11.714 2.603 1.00 0.00 H new ATOM 1671 N ARG A 116 -3.412 14.761 3.309 1.00 0.00 N ATOM 1672 CA ARG A 116 -3.630 15.678 2.195 1.00 0.00 C ATOM 1673 C ARG A 116 -2.350 15.863 1.385 1.00 0.00 C ATOM 1674 O ARG A 116 -1.253 15.581 1.866 1.00 0.00 O ATOM 1675 CB ARG A 116 -4.119 17.032 2.712 1.00 0.00 C ATOM 1676 CG ARG A 116 -3.074 17.794 3.511 1.00 0.00 C ATOM 1677 CD ARG A 116 -3.628 18.263 4.847 1.00 0.00 C ATOM 1678 NE ARG A 116 -2.967 19.477 5.317 1.00 0.00 N ATOM 1679 CZ ARG A 116 -3.075 19.940 6.558 1.00 0.00 C ATOM 1680 NH1 ARG A 116 -3.814 19.292 7.448 1.00 0.00 N ATOM 1681 NH2 ARG A 116 -2.444 21.053 6.910 1.00 0.00 N ATOM 0 H ARG A 116 -3.205 15.218 4.197 1.00 0.00 H new ATOM 0 HA ARG A 116 -4.392 15.247 1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.433 17.643 1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.999 16.876 3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -2.206 17.156 3.679 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -2.730 18.654 2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -4.698 18.447 4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -3.505 17.473 5.588 1.00 0.00 H new ATOM 0 HE ARG A 116 -2.391 19.998 4.657 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -4.301 18.436 7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -3.896 19.649 8.400 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -1.875 21.554 6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -2.528 21.407 7.863 1.00 0.00 H new ATOM 1695 N ALA A 117 -2.500 16.338 0.153 1.00 0.00 N ATOM 1696 CA ALA A 117 -1.357 16.562 -0.723 1.00 0.00 C ATOM 1697 C ALA A 117 -1.364 17.979 -1.285 1.00 0.00 C ATOM 1698 O ALA A 117 -0.645 18.855 -0.800 1.00 0.00 O ATOM 1699 CB ALA A 117 -1.352 15.544 -1.855 1.00 0.00 C ATOM 0 H ALA A 117 -3.402 16.575 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.449 16.438 -0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.493 15.723 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.290 14.538 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.269 15.641 -2.436 1.00 0.00 H new ATOM 1705 N THR A 118 -2.181 18.200 -2.310 1.00 0.00 N ATOM 1706 CA THR A 118 -2.281 19.512 -2.939 1.00 0.00 C ATOM 1707 C THR A 118 -3.410 19.547 -3.961 1.00 0.00 C ATOM 1708 O THR A 118 -4.197 20.492 -4.000 1.00 0.00 O ATOM 1709 CB THR A 118 -0.962 19.904 -3.632 1.00 0.00 C ATOM 1710 OG1 THR A 118 -0.011 18.840 -3.514 1.00 0.00 O ATOM 1711 CG2 THR A 118 -0.388 21.175 -3.024 1.00 0.00 C ATOM 0 H THR A 118 -2.783 17.488 -2.723 1.00 0.00 H new ATOM 0 HA THR A 118 -2.492 20.228 -2.145 1.00 0.00 H new ATOM 0 HB THR A 118 -1.172 20.087 -4.686 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.824 19.097 -3.958 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.543 21.432 -3.529 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.102 21.990 -3.143 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.193 21.015 -1.964 1.00 0.00 H new ATOM 1719 N ALA A 119 -3.484 18.510 -4.790 1.00 0.00 N ATOM 1720 CA ALA A 119 -4.519 18.421 -5.811 1.00 0.00 C ATOM 1721 C ALA A 119 -5.030 16.991 -5.953 1.00 0.00 C ATOM 1722 O ALA A 119 -6.235 16.759 -6.062 1.00 0.00 O ATOM 1723 CB ALA A 119 -3.991 18.929 -7.144 1.00 0.00 C ATOM 0 H ALA A 119 -2.839 17.720 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.355 19.048 -5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.775 18.856 -7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.682 19.969 -7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.136 18.326 -7.451 1.00 0.00 H new ATOM 1729 N TYR A 120 -4.108 16.036 -5.952 1.00 0.00 N ATOM 1730 CA TYR A 120 -4.464 14.628 -6.084 1.00 0.00 C ATOM 1731 C TYR A 120 -4.495 13.944 -4.721 1.00 0.00 C ATOM 1732 O TYR A 120 -3.939 14.450 -3.747 1.00 0.00 O ATOM 1733 CB TYR A 120 -3.473 13.914 -7.004 1.00 0.00 C ATOM 1734 CG TYR A 120 -3.571 14.342 -8.450 1.00 0.00 C ATOM 1735 CD1 TYR A 120 -3.272 15.646 -8.830 1.00 0.00 C ATOM 1736 CD2 TYR A 120 -3.962 13.447 -9.437 1.00 0.00 C ATOM 1737 CE1 TYR A 120 -3.360 16.043 -10.150 1.00 0.00 C ATOM 1738 CE2 TYR A 120 -4.052 13.835 -10.760 1.00 0.00 C ATOM 1739 CZ TYR A 120 -3.750 15.134 -11.111 1.00 0.00 C ATOM 1740 OH TYR A 120 -3.840 15.524 -12.427 1.00 0.00 O ATOM 0 H TYR A 120 -3.107 16.211 -5.861 1.00 0.00 H new ATOM 0 HA TYR A 120 -5.461 14.571 -6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.460 14.100 -6.647 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -3.641 12.839 -6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -2.966 16.360 -8.080 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -4.200 12.429 -9.166 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -3.125 17.060 -10.428 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -4.357 13.125 -11.515 1.00 0.00 H new ATOM 0 HH TYR A 120 -4.127 14.764 -12.975 1.00 0.00 H new ATOM 1750 N GLY A 121 -5.149 12.789 -4.660 1.00 0.00 N ATOM 1751 CA GLY A 121 -5.241 12.051 -3.413 1.00 0.00 C ATOM 1752 C GLY A 121 -3.957 11.321 -3.075 1.00 0.00 C ATOM 1753 O GLY A 121 -2.922 11.945 -2.840 1.00 0.00 O ATOM 0 H GLY A 121 -5.618 12.350 -5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.488 12.739 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -6.057 11.332 -3.479 1.00 0.00 H new ATOM 1757 N TYR A 122 -4.022 9.994 -3.050 1.00 0.00 N ATOM 1758 CA TYR A 122 -2.857 9.177 -2.735 1.00 0.00 C ATOM 1759 C TYR A 122 -2.313 8.497 -3.988 1.00 0.00 C ATOM 1760 O TYR A 122 -3.010 7.717 -4.636 1.00 0.00 O ATOM 1761 CB TYR A 122 -3.215 8.125 -1.684 1.00 0.00 C ATOM 1762 CG TYR A 122 -4.326 7.195 -2.114 1.00 0.00 C ATOM 1763 CD1 TYR A 122 -5.660 7.561 -1.972 1.00 0.00 C ATOM 1764 CD2 TYR A 122 -4.045 5.948 -2.660 1.00 0.00 C ATOM 1765 CE1 TYR A 122 -6.679 6.714 -2.362 1.00 0.00 C ATOM 1766 CE2 TYR A 122 -5.058 5.096 -3.053 1.00 0.00 C ATOM 1767 CZ TYR A 122 -6.373 5.483 -2.903 1.00 0.00 C ATOM 1768 OH TYR A 122 -7.384 4.636 -3.293 1.00 0.00 O ATOM 0 H TYR A 122 -4.870 9.462 -3.244 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.083 9.832 -2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.327 7.536 -1.455 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -3.510 8.629 -0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -5.904 8.525 -1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -3.017 5.640 -2.779 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -7.710 7.014 -2.244 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -4.821 4.131 -3.476 1.00 0.00 H new ATOM 0 HH TYR A 122 -7.967 5.095 -3.933 1.00 0.00 H new ATOM 1778 N SER A 123 -1.063 8.799 -4.321 1.00 0.00 N ATOM 1779 CA SER A 123 -0.424 8.221 -5.499 1.00 0.00 C ATOM 1780 C SER A 123 0.412 7.002 -5.119 1.00 0.00 C ATOM 1781 O SER A 123 0.937 6.916 -4.008 1.00 0.00 O ATOM 1782 CB SER A 123 0.457 9.262 -6.190 1.00 0.00 C ATOM 1783 OG SER A 123 -0.009 10.576 -5.936 1.00 0.00 O ATOM 0 H SER A 123 -0.472 9.440 -3.793 1.00 0.00 H new ATOM 0 HA SER A 123 -1.207 7.904 -6.188 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.484 9.163 -5.840 1.00 0.00 H new ATOM 0 HB3 SER A 123 0.468 9.078 -7.264 1.00 0.00 H new ATOM 0 HG SER A 123 0.573 11.222 -6.388 1.00 0.00 H new ATOM 1789 N LEU A 124 0.529 6.061 -6.049 1.00 0.00 N ATOM 1790 CA LEU A 124 1.301 4.845 -5.814 1.00 0.00 C ATOM 1791 C LEU A 124 1.939 4.347 -7.107 1.00 0.00 C ATOM 1792 O LEU A 124 1.381 3.495 -7.798 1.00 0.00 O ATOM 1793 CB LEU A 124 0.405 3.756 -5.222 1.00 0.00 C ATOM 1794 CG LEU A 124 1.119 2.501 -4.716 1.00 0.00 C ATOM 1795 CD1 LEU A 124 0.928 2.347 -3.215 1.00 0.00 C ATOM 1796 CD2 LEU A 124 0.612 1.268 -5.451 1.00 0.00 C ATOM 0 H LEU A 124 0.100 6.116 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 124 2.095 5.079 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.159 4.187 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.319 3.457 -5.980 1.00 0.00 H new ATOM 0 HG LEU A 124 2.185 2.606 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.443 1.449 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.339 3.218 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.135 2.264 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.130 0.384 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.459 1.159 -5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.802 1.377 -6.519 1.00 0.00 H new ATOM 1808 N TRP A 125 3.113 4.881 -7.425 1.00 0.00 N ATOM 1809 CA TRP A 125 3.829 4.490 -8.634 1.00 0.00 C ATOM 1810 C TRP A 125 5.031 3.615 -8.295 1.00 0.00 C ATOM 1811 O TRP A 125 5.376 2.703 -9.045 1.00 0.00 O ATOM 1812 CB TRP A 125 4.285 5.728 -9.405 1.00 0.00 C ATOM 1813 CG TRP A 125 3.196 6.353 -10.224 1.00 0.00 C ATOM 1814 CD1 TRP A 125 1.849 6.214 -10.038 1.00 0.00 C ATOM 1815 CD2 TRP A 125 3.359 7.212 -11.357 1.00 0.00 C ATOM 1816 NE1 TRP A 125 1.167 6.936 -10.989 1.00 0.00 N ATOM 1817 CE2 TRP A 125 2.071 7.558 -11.809 1.00 0.00 C ATOM 1818 CE3 TRP A 125 4.470 7.725 -12.033 1.00 0.00 C ATOM 1819 CZ2 TRP A 125 1.865 8.390 -12.906 1.00 0.00 C ATOM 1820 CZ3 TRP A 125 4.264 8.551 -13.122 1.00 0.00 C ATOM 1821 CH2 TRP A 125 2.971 8.878 -13.548 1.00 0.00 C ATOM 0 H TRP A 125 3.589 5.586 -6.862 1.00 0.00 H new ATOM 0 HA TRP A 125 3.148 3.913 -9.259 1.00 0.00 H new ATOM 0 HB2 TRP A 125 4.668 6.466 -8.700 1.00 0.00 H new ATOM 0 HB3 TRP A 125 5.112 5.455 -10.061 1.00 0.00 H new ATOM 0 HD1 TRP A 125 1.388 5.624 -9.259 1.00 0.00 H new ATOM 0 HE1 TRP A 125 0.152 6.998 -11.071 1.00 0.00 H new ATOM 0 HE3 TRP A 125 5.471 7.480 -11.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.869 8.641 -13.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 5.115 8.951 -13.653 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.844 9.529 -14.401 1.00 0.00 H new ATOM 1832 N GLU A 126 5.663 3.900 -7.160 1.00 0.00 N ATOM 1833 CA GLU A 126 6.828 3.139 -6.724 1.00 0.00 C ATOM 1834 C GLU A 126 6.550 2.430 -5.401 1.00 0.00 C ATOM 1835 O GLU A 126 7.115 2.782 -4.366 1.00 0.00 O ATOM 1836 CB GLU A 126 8.041 4.060 -6.578 1.00 0.00 C ATOM 1837 CG GLU A 126 9.329 3.460 -7.118 1.00 0.00 C ATOM 1838 CD GLU A 126 9.729 4.048 -8.458 1.00 0.00 C ATOM 1839 OE1 GLU A 126 10.071 5.247 -8.502 1.00 0.00 O ATOM 1840 OE2 GLU A 126 9.699 3.306 -9.462 1.00 0.00 O ATOM 0 H GLU A 126 5.388 4.651 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 126 7.043 2.386 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 126 7.840 4.997 -7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 126 8.177 4.303 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 126 10.132 3.624 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 126 9.208 2.382 -7.220 1.00 0.00 H new ATOM 1847 N PHE A 127 5.676 1.431 -5.445 1.00 0.00 N ATOM 1848 CA PHE A 127 5.322 0.672 -4.250 1.00 0.00 C ATOM 1849 C PHE A 127 5.695 -0.799 -4.409 1.00 0.00 C ATOM 1850 O PHE A 127 5.029 -1.544 -5.127 1.00 0.00 O ATOM 1851 CB PHE A 127 3.824 0.803 -3.964 1.00 0.00 C ATOM 1852 CG PHE A 127 3.358 -0.046 -2.815 1.00 0.00 C ATOM 1853 CD1 PHE A 127 4.199 -0.310 -1.746 1.00 0.00 C ATOM 1854 CD2 PHE A 127 2.079 -0.577 -2.805 1.00 0.00 C ATOM 1855 CE1 PHE A 127 3.772 -1.091 -0.688 1.00 0.00 C ATOM 1856 CE2 PHE A 127 1.647 -1.359 -1.749 1.00 0.00 C ATOM 1857 CZ PHE A 127 2.494 -1.614 -0.689 1.00 0.00 C ATOM 0 H PHE A 127 5.199 1.127 -6.294 1.00 0.00 H new ATOM 0 HA PHE A 127 5.883 1.081 -3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.592 1.847 -3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 127 3.266 0.528 -4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 127 5.199 0.099 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 127 1.412 -0.378 -3.631 1.00 0.00 H new ATOM 0 HE1 PHE A 127 4.437 -1.292 0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 127 0.648 -1.770 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.158 -2.222 0.138 1.00 0.00 H new ATOM 1867 N GLU A 128 6.765 -1.208 -3.734 1.00 0.00 N ATOM 1868 CA GLU A 128 7.227 -2.589 -3.801 1.00 0.00 C ATOM 1869 C GLU A 128 7.064 -3.283 -2.452 1.00 0.00 C ATOM 1870 O GLU A 128 7.563 -2.808 -1.432 1.00 0.00 O ATOM 1871 CB GLU A 128 8.692 -2.639 -4.239 1.00 0.00 C ATOM 1872 CG GLU A 128 9.076 -3.933 -4.937 1.00 0.00 C ATOM 1873 CD GLU A 128 10.442 -3.862 -5.589 1.00 0.00 C ATOM 1874 OE1 GLU A 128 10.942 -2.737 -5.798 1.00 0.00 O ATOM 1875 OE2 GLU A 128 11.012 -4.932 -5.890 1.00 0.00 O ATOM 0 H GLU A 128 7.327 -0.603 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 128 6.617 -3.114 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 128 8.891 -1.802 -4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 128 9.329 -2.505 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 128 9.065 -4.748 -4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 128 8.328 -4.168 -5.694 1.00 0.00 H new ATOM 1882 N VAL A 129 6.360 -4.412 -2.455 1.00 0.00 N ATOM 1883 CA VAL A 129 6.131 -5.172 -1.233 1.00 0.00 C ATOM 1884 C VAL A 129 6.214 -6.672 -1.495 1.00 0.00 C ATOM 1885 O VAL A 129 5.362 -7.241 -2.178 1.00 0.00 O ATOM 1886 CB VAL A 129 4.758 -4.845 -0.617 1.00 0.00 C ATOM 1887 CG1 VAL A 129 3.669 -4.907 -1.678 1.00 0.00 C ATOM 1888 CG2 VAL A 129 4.449 -5.795 0.530 1.00 0.00 C ATOM 0 H VAL A 129 5.939 -4.819 -3.290 1.00 0.00 H new ATOM 0 HA VAL A 129 6.913 -4.885 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 129 4.789 -3.830 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.706 -4.673 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.885 -4.184 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.635 -5.909 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.475 -5.549 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 129 4.436 -6.820 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 129 5.215 -5.697 1.300 1.00 0.00 H new ATOM 1898 N TYR A 130 7.246 -7.306 -0.949 1.00 0.00 N ATOM 1899 CA TYR A 130 7.442 -8.741 -1.126 1.00 0.00 C ATOM 1900 C TYR A 130 8.753 -9.193 -0.491 1.00 0.00 C ATOM 1901 O TYR A 130 9.640 -8.383 -0.225 1.00 0.00 O ATOM 1902 CB TYR A 130 7.432 -9.098 -2.613 1.00 0.00 C ATOM 1903 CG TYR A 130 6.480 -10.220 -2.960 1.00 0.00 C ATOM 1904 CD1 TYR A 130 5.182 -10.236 -2.462 1.00 0.00 C ATOM 1905 CD2 TYR A 130 6.877 -11.265 -3.785 1.00 0.00 C ATOM 1906 CE1 TYR A 130 4.309 -11.259 -2.775 1.00 0.00 C ATOM 1907 CE2 TYR A 130 6.010 -12.292 -4.105 1.00 0.00 C ATOM 1908 CZ TYR A 130 4.728 -12.285 -3.597 1.00 0.00 C ATOM 1909 OH TYR A 130 3.860 -13.306 -3.913 1.00 0.00 O ATOM 0 H TYR A 130 7.959 -6.850 -0.381 1.00 0.00 H new ATOM 0 HA TYR A 130 6.621 -9.259 -0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.162 -8.213 -3.189 1.00 0.00 H new ATOM 0 HB3 TYR A 130 8.440 -9.381 -2.917 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.851 -9.434 -1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 130 7.881 -11.275 -4.183 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.304 -11.256 -2.379 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.334 -13.096 -4.749 1.00 0.00 H new ATOM 0 HH TYR A 130 4.310 -13.948 -4.501 1.00 0.00 H new ATOM 1919 N GLY A 131 8.868 -10.496 -0.252 1.00 0.00 N ATOM 1920 CA GLY A 131 10.074 -11.036 0.349 1.00 0.00 C ATOM 1921 C GLY A 131 10.215 -12.529 0.125 1.00 0.00 C ATOM 1922 O GLY A 131 11.297 -13.090 0.300 1.00 0.00 O ATOM 0 H GLY A 131 8.148 -11.187 -0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 131 10.943 -10.526 -0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.066 -10.832 1.420 1.00 0.00 H new