USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 681 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 76 HIS : no HE2:sc= -6.29! K(o=-8.5!,f=-4.5) USER MOD Set 1.2: A 79 GLN : amide:sc= -2.22 K(o=-8.5,f=-9.4!) USER MOD Single : A 7 THR OG1 : rot -25:sc= 0.796 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 73:sc= -1.15 USER MOD Single : A 15 HIS : no HE2:sc= -5.1! K(o=-5.1!,f=-2) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot -58:sc= 0.0933 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= -0.488 (180deg=-2.05!) USER MOD Single : A 37 THR OG1 : rot 90:sc= 0.134 USER MOD Single : A 39 CYS SG : rot 64:sc= -1.57 USER MOD Single : A 41 SER OG : rot 180:sc= -0.339 USER MOD Single : A 45 THR OG1 : rot 35:sc= -3.62! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0.382 X(o=0.38,f=0) USER MOD Single : A 80 GLN : amide:sc= -2.35 K(o=-2.4,f=-4.2!) USER MOD Single : A 82 TYR OH : rot 99:sc= -1.17 USER MOD Single : A 84 THR OG1 : rot 114:sc= 0.954 USER MOD Single : A 87 GLN : amide:sc= -0.0286 K(o=-0.029,f=-1.9) USER MOD Single : A 91 GLN : amide:sc= -0.437 K(o=-0.44,f=-2) USER MOD Single : A 92 ASN : amide:sc= 0.0171 X(o=0.017,f=0) USER MOD Single : A 93 SER OG : rot -8:sc= 0.901 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 7 -7.399 -0.565 -10.637 1.00 0.00 N ATOM 67 CA THR A 7 -6.053 -0.459 -10.099 1.00 0.00 C ATOM 68 C THR A 7 -6.081 -0.551 -8.572 1.00 0.00 C ATOM 69 O THR A 7 -7.131 -0.380 -7.955 1.00 0.00 O ATOM 70 CB THR A 7 -5.437 0.841 -10.619 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.512 1.776 -10.574 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.072 0.764 -12.103 1.00 0.00 C ATOM 0 HA THR A 7 -5.427 -1.287 -10.432 1.00 0.00 H new ATOM 0 HB THR A 7 -4.546 1.078 -10.038 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.365 1.297 -10.627 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.639 1.712 -12.421 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.348 -0.036 -12.259 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.969 0.560 -12.688 1.00 0.00 H new ATOM 80 N PRO A 8 -4.883 -0.828 -7.991 1.00 0.00 N ATOM 81 CA PRO A 8 -4.760 -0.945 -6.548 1.00 0.00 C ATOM 82 C PRO A 8 -4.804 0.432 -5.881 1.00 0.00 C ATOM 83 O PRO A 8 -5.531 0.631 -4.909 1.00 0.00 O ATOM 84 CB PRO A 8 -3.444 -1.672 -6.323 1.00 0.00 C ATOM 85 CG PRO A 8 -2.659 -1.523 -7.616 1.00 0.00 C ATOM 86 CD PRO A 8 -3.618 -1.037 -8.690 1.00 0.00 C ATOM 0 HA PRO A 8 -5.586 -1.496 -6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.899 -1.241 -5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.614 -2.723 -6.088 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.841 -0.815 -7.486 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.214 -2.475 -7.904 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.263 -0.115 -9.150 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.723 -1.772 -9.488 1.00 0.00 H new ATOM 94 N LEU A 9 -4.018 1.346 -6.431 1.00 0.00 N ATOM 95 CA LEU A 9 -3.958 2.697 -5.901 1.00 0.00 C ATOM 96 C LEU A 9 -5.372 3.278 -5.835 1.00 0.00 C ATOM 97 O LEU A 9 -5.775 3.827 -4.811 1.00 0.00 O ATOM 98 CB LEU A 9 -2.981 3.549 -6.714 1.00 0.00 C ATOM 99 CG LEU A 9 -1.954 4.346 -5.908 1.00 0.00 C ATOM 100 CD1 LEU A 9 -1.058 5.176 -6.829 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.640 5.208 -4.846 1.00 0.00 C ATOM 0 H LEU A 9 -3.418 1.177 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.568 2.689 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.445 2.895 -7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.557 4.247 -7.322 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.310 3.640 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.337 5.733 -6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.527 4.514 -7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.670 5.873 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.887 5.764 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.323 5.907 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.199 4.568 -4.163 1.00 0.00 H new ATOM 113 N SER A 10 -6.088 3.135 -6.941 1.00 0.00 N ATOM 114 CA SER A 10 -7.448 3.638 -7.022 1.00 0.00 C ATOM 115 C SER A 10 -8.337 2.909 -6.013 1.00 0.00 C ATOM 116 O SER A 10 -9.130 3.536 -5.312 1.00 0.00 O ATOM 117 CB SER A 10 -8.011 3.480 -8.436 1.00 0.00 C ATOM 118 OG SER A 10 -9.284 4.105 -8.578 1.00 0.00 O ATOM 0 H SER A 10 -5.751 2.678 -7.788 1.00 0.00 H new ATOM 0 HA SER A 10 -7.433 4.701 -6.782 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.313 3.911 -9.154 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.099 2.420 -8.675 1.00 0.00 H new ATOM 0 HG SER A 10 -9.608 3.983 -9.495 1.00 0.00 H new ATOM 124 N LEU A 11 -8.174 1.595 -5.970 1.00 0.00 N ATOM 125 CA LEU A 11 -8.952 0.774 -5.058 1.00 0.00 C ATOM 126 C LEU A 11 -8.743 1.272 -3.626 1.00 0.00 C ATOM 127 O LEU A 11 -9.706 1.454 -2.882 1.00 0.00 O ATOM 128 CB LEU A 11 -8.614 -0.706 -5.249 1.00 0.00 C ATOM 129 CG LEU A 11 -9.194 -1.370 -6.500 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.306 -2.525 -6.968 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.638 -1.816 -6.265 1.00 0.00 C ATOM 0 H LEU A 11 -7.515 1.078 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.016 0.866 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.529 -0.810 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.965 -1.254 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.212 -0.632 -7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.740 -2.980 -7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.311 -2.147 -7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.234 -3.272 -6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.026 -2.284 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.669 -2.532 -5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.250 -0.950 -6.014 1.00 0.00 H new ATOM 143 N THR A 12 -7.480 1.480 -3.284 1.00 0.00 N ATOM 144 CA THR A 12 -7.133 1.953 -1.955 1.00 0.00 C ATOM 145 C THR A 12 -7.712 3.350 -1.718 1.00 0.00 C ATOM 146 O THR A 12 -8.406 3.579 -0.729 1.00 0.00 O ATOM 147 CB THR A 12 -5.611 1.895 -1.814 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.128 2.307 -3.090 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.091 0.463 -1.664 1.00 0.00 C ATOM 0 H THR A 12 -6.684 1.330 -3.904 1.00 0.00 H new ATOM 0 HA THR A 12 -7.570 1.319 -1.184 1.00 0.00 H new ATOM 0 HB THR A 12 -5.304 2.485 -0.951 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.261 3.272 -3.194 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.005 0.478 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.528 0.009 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.369 -0.119 -2.543 1.00 0.00 H new ATOM 157 N LEU A 13 -7.404 4.247 -2.643 1.00 0.00 N ATOM 158 CA LEU A 13 -7.885 5.615 -2.548 1.00 0.00 C ATOM 159 C LEU A 13 -9.415 5.612 -2.514 1.00 0.00 C ATOM 160 O LEU A 13 -10.025 6.422 -1.818 1.00 0.00 O ATOM 161 CB LEU A 13 -7.297 6.469 -3.673 1.00 0.00 C ATOM 162 CG LEU A 13 -6.022 7.243 -3.331 1.00 0.00 C ATOM 163 CD1 LEU A 13 -6.268 8.224 -2.182 1.00 0.00 C ATOM 164 CD2 LEU A 13 -4.865 6.289 -3.031 1.00 0.00 C ATOM 0 H LEU A 13 -6.827 4.053 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.546 6.074 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.087 5.820 -4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.056 7.182 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.736 7.832 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.346 8.761 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.042 8.935 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.591 7.675 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.971 6.865 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.126 5.655 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.671 5.666 -3.904 1.00 0.00 H new ATOM 176 N ASP A 14 -9.990 4.692 -3.275 1.00 0.00 N ATOM 177 CA ASP A 14 -11.437 4.574 -3.340 1.00 0.00 C ATOM 178 C ASP A 14 -11.980 4.238 -1.950 1.00 0.00 C ATOM 179 O ASP A 14 -13.088 4.641 -1.599 1.00 0.00 O ATOM 180 CB ASP A 14 -11.855 3.453 -4.294 1.00 0.00 C ATOM 181 CG ASP A 14 -12.393 3.922 -5.647 1.00 0.00 C ATOM 182 OD1 ASP A 14 -11.845 4.921 -6.161 1.00 0.00 O ATOM 183 OD2 ASP A 14 -13.342 3.272 -6.137 1.00 0.00 O ATOM 0 H ASP A 14 -9.481 4.022 -3.851 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.837 5.522 -3.699 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.996 2.804 -4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.619 2.847 -3.806 1.00 0.00 H new ATOM 188 N HIS A 15 -11.175 3.504 -1.196 1.00 0.00 N ATOM 189 CA HIS A 15 -11.561 3.110 0.148 1.00 0.00 C ATOM 190 C HIS A 15 -10.587 3.715 1.160 1.00 0.00 C ATOM 191 O HIS A 15 -10.209 3.062 2.131 1.00 0.00 O ATOM 192 CB HIS A 15 -11.662 1.588 0.260 1.00 0.00 C ATOM 193 CG HIS A 15 -12.894 1.004 -0.390 1.00 0.00 C ATOM 194 ND1 HIS A 15 -14.177 1.403 -0.057 1.00 0.00 N ATOM 195 CD2 HIS A 15 -13.025 0.050 -1.356 1.00 0.00 C ATOM 196 CE1 HIS A 15 -15.034 0.712 -0.795 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.318 -0.126 -1.599 1.00 0.00 N ATOM 0 H HIS A 15 -10.257 3.172 -1.491 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.554 3.500 0.374 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.778 1.141 -0.194 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.654 1.310 1.314 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -14.421 2.109 0.638 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.214 -0.473 -1.841 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -16.110 0.797 -0.765 1.00 0.00 H new ATOM 205 N TRP A 16 -10.207 4.958 0.898 1.00 0.00 N ATOM 206 CA TRP A 16 -9.284 5.659 1.774 1.00 0.00 C ATOM 207 C TRP A 16 -9.761 5.467 3.215 1.00 0.00 C ATOM 208 O TRP A 16 -8.949 5.327 4.128 1.00 0.00 O ATOM 209 CB TRP A 16 -9.161 7.131 1.376 1.00 0.00 C ATOM 210 CG TRP A 16 -8.171 7.926 2.229 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.390 9.063 2.904 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.787 7.595 2.474 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.254 9.487 3.562 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.248 8.566 3.293 1.00 0.00 C ATOM 215 CE3 TRP A 16 -6.017 6.510 2.018 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.918 8.551 3.727 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.689 6.510 2.461 1.00 0.00 C ATOM 218 CH2 TRP A 16 -4.131 7.480 3.285 1.00 0.00 C ATOM 0 H TRP A 16 -10.522 5.497 0.091 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.279 5.248 1.683 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.854 7.190 0.332 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.143 7.599 1.446 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.337 9.582 2.930 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -7.168 10.323 4.140 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.418 5.739 1.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.520 9.323 4.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -4.053 5.699 2.140 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -3.095 7.408 3.583 1.00 0.00 H new ATOM 229 N SER A 17 -11.077 5.467 3.374 1.00 0.00 N ATOM 230 CA SER A 17 -11.672 5.295 4.688 1.00 0.00 C ATOM 231 C SER A 17 -11.131 4.023 5.345 1.00 0.00 C ATOM 232 O SER A 17 -10.859 4.007 6.544 1.00 0.00 O ATOM 233 CB SER A 17 -13.198 5.238 4.598 1.00 0.00 C ATOM 234 OG SER A 17 -13.760 6.501 4.253 1.00 0.00 O ATOM 0 H SER A 17 -11.747 5.583 2.614 1.00 0.00 H new ATOM 0 HA SER A 17 -11.403 6.155 5.301 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.490 4.496 3.855 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.605 4.909 5.554 1.00 0.00 H new ATOM 0 HG SER A 17 -14.736 6.422 4.204 1.00 0.00 H new ATOM 240 N GLU A 18 -10.992 2.987 4.530 1.00 0.00 N ATOM 241 CA GLU A 18 -10.489 1.714 5.016 1.00 0.00 C ATOM 242 C GLU A 18 -8.997 1.820 5.336 1.00 0.00 C ATOM 243 O GLU A 18 -8.546 1.344 6.377 1.00 0.00 O ATOM 244 CB GLU A 18 -10.755 0.597 4.005 1.00 0.00 C ATOM 245 CG GLU A 18 -9.947 -0.656 4.348 1.00 0.00 C ATOM 246 CD GLU A 18 -10.360 -1.219 5.710 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.383 -1.938 5.740 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.644 -0.918 6.689 1.00 0.00 O ATOM 0 H GLU A 18 -11.219 3.004 3.536 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.020 1.462 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.818 0.357 3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.495 0.939 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.097 -1.412 3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.884 -0.416 4.357 1.00 0.00 H new ATOM 255 N ILE A 19 -8.271 2.448 4.422 1.00 0.00 N ATOM 256 CA ILE A 19 -6.839 2.623 4.594 1.00 0.00 C ATOM 257 C ILE A 19 -6.578 3.450 5.854 1.00 0.00 C ATOM 258 O ILE A 19 -5.606 3.209 6.568 1.00 0.00 O ATOM 259 CB ILE A 19 -6.216 3.216 3.328 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.820 2.585 2.072 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.692 3.091 3.357 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.907 1.064 2.210 1.00 0.00 C ATOM 0 H ILE A 19 -8.648 2.842 3.560 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.352 1.659 4.739 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.451 4.280 3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.815 2.995 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.212 2.841 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.274 3.520 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.300 3.625 4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.414 2.039 3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.340 0.641 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.908 0.655 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.535 0.812 3.064 1.00 0.00 H new ATOM 274 N ARG A 20 -7.463 4.408 6.088 1.00 0.00 N ATOM 275 CA ARG A 20 -7.341 5.272 7.250 1.00 0.00 C ATOM 276 C ARG A 20 -7.641 4.488 8.529 1.00 0.00 C ATOM 277 O ARG A 20 -7.090 4.785 9.588 1.00 0.00 O ATOM 278 CB ARG A 20 -8.296 6.463 7.154 1.00 0.00 C ATOM 279 CG ARG A 20 -7.823 7.461 6.095 1.00 0.00 C ATOM 280 CD ARG A 20 -8.389 8.857 6.367 1.00 0.00 C ATOM 281 NE ARG A 20 -9.807 8.918 5.949 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.842 8.689 6.770 1.00 0.00 C ATOM 283 NH1 ARG A 20 -10.623 8.383 8.055 1.00 0.00 N ATOM 284 NH2 ARG A 20 -12.096 8.767 6.304 1.00 0.00 N ATOM 0 H ARG A 20 -8.267 4.605 5.493 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.317 5.644 7.280 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.298 6.112 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.363 6.959 8.122 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.734 7.501 6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.136 7.124 5.107 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.303 9.093 7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.809 9.605 5.826 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.010 9.148 4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.668 8.324 8.410 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.411 8.209 8.679 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.263 9.000 5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.884 8.593 6.928 1.00 0.00 H new ATOM 298 N SER A 21 -8.514 3.501 8.389 1.00 0.00 N ATOM 299 CA SER A 21 -8.895 2.672 9.520 1.00 0.00 C ATOM 300 C SER A 21 -7.742 1.738 9.895 1.00 0.00 C ATOM 301 O SER A 21 -7.483 1.509 11.075 1.00 0.00 O ATOM 302 CB SER A 21 -10.155 1.862 9.210 1.00 0.00 C ATOM 303 OG SER A 21 -11.144 2.004 10.225 1.00 0.00 O ATOM 0 H SER A 21 -8.968 3.257 7.509 1.00 0.00 H new ATOM 0 HA SER A 21 -9.115 3.325 10.364 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.568 2.185 8.254 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.892 0.809 9.104 1.00 0.00 H new ATOM 0 HG SER A 21 -11.933 1.473 9.989 1.00 0.00 H new ATOM 309 N ARG A 22 -7.081 1.224 8.868 1.00 0.00 N ATOM 310 CA ARG A 22 -5.963 0.320 9.075 1.00 0.00 C ATOM 311 C ARG A 22 -4.880 0.999 9.916 1.00 0.00 C ATOM 312 O ARG A 22 -4.182 0.341 10.686 1.00 0.00 O ATOM 313 CB ARG A 22 -5.359 -0.124 7.742 1.00 0.00 C ATOM 314 CG ARG A 22 -6.385 -0.889 6.903 1.00 0.00 C ATOM 315 CD ARG A 22 -6.494 -2.344 7.363 1.00 0.00 C ATOM 316 NE ARG A 22 -7.916 -2.746 7.437 1.00 0.00 N ATOM 317 CZ ARG A 22 -8.338 -4.018 7.439 1.00 0.00 C ATOM 318 NH1 ARG A 22 -7.450 -5.019 7.370 1.00 0.00 N ATOM 319 NH2 ARG A 22 -9.648 -4.289 7.510 1.00 0.00 N ATOM 0 H ARG A 22 -7.299 1.417 7.890 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.340 -0.558 9.600 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.009 0.748 7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.490 -0.756 7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.358 -0.405 6.982 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.097 -0.857 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.959 -2.994 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.023 -2.462 8.339 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.619 -2.009 7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.452 -4.813 7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.772 -5.987 7.372 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.324 -3.527 7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.969 -5.257 7.511 1.00 0.00 H new ATOM 333 N ALA A 23 -4.773 2.308 9.740 1.00 0.00 N ATOM 334 CA ALA A 23 -3.787 3.084 10.473 1.00 0.00 C ATOM 335 C ALA A 23 -4.170 3.119 11.954 1.00 0.00 C ATOM 336 O ALA A 23 -3.311 2.985 12.824 1.00 0.00 O ATOM 337 CB ALA A 23 -3.684 4.484 9.864 1.00 0.00 C ATOM 0 H ALA A 23 -5.353 2.851 9.100 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.802 2.623 10.398 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.944 5.066 10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.381 4.405 8.820 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.653 4.979 9.924 1.00 0.00 H new ATOM 343 N HIS A 24 -5.460 3.300 12.195 1.00 0.00 N ATOM 344 CA HIS A 24 -5.967 3.354 13.555 1.00 0.00 C ATOM 345 C HIS A 24 -5.601 2.064 14.291 1.00 0.00 C ATOM 346 O HIS A 24 -5.113 2.106 15.420 1.00 0.00 O ATOM 347 CB HIS A 24 -7.472 3.634 13.564 1.00 0.00 C ATOM 348 CG HIS A 24 -7.869 4.827 14.399 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.853 4.768 15.370 1.00 0.00 N ATOM 350 CD2 HIS A 24 -7.405 6.110 14.399 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.969 5.967 15.923 1.00 0.00 C ATOM 352 NE2 HIS A 24 -8.070 6.797 15.320 1.00 0.00 N ATOM 0 H HIS A 24 -6.170 3.411 11.471 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.499 4.182 14.088 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.808 3.793 12.539 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.993 2.752 13.937 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.628 6.501 13.758 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.655 6.239 16.712 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.931 7.783 15.540 1.00 0.00 H new ATOM 360 N ASN A 25 -5.850 0.948 13.622 1.00 0.00 N ATOM 361 CA ASN A 25 -5.552 -0.353 14.199 1.00 0.00 C ATOM 362 C ASN A 25 -4.035 -0.552 14.240 1.00 0.00 C ATOM 363 O ASN A 25 -3.512 -1.170 15.166 1.00 0.00 O ATOM 364 CB ASN A 25 -6.154 -1.479 13.357 1.00 0.00 C ATOM 365 CG ASN A 25 -7.113 -2.333 14.190 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.711 -3.145 15.008 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.398 -2.106 13.937 1.00 0.00 N ATOM 0 H ASN A 25 -6.255 0.917 12.686 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.979 -0.384 15.201 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.685 -1.056 12.504 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.357 -2.106 12.957 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.117 -2.626 14.441 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.666 -1.412 13.239 1.00 0.00 H new ATOM 374 N LEU A 26 -3.373 -0.017 13.225 1.00 0.00 N ATOM 375 CA LEU A 26 -1.927 -0.129 13.134 1.00 0.00 C ATOM 376 C LEU A 26 -1.280 0.953 14.001 1.00 0.00 C ATOM 377 O LEU A 26 -0.056 1.041 14.080 1.00 0.00 O ATOM 378 CB LEU A 26 -1.478 -0.094 11.671 1.00 0.00 C ATOM 379 CG LEU A 26 -1.934 -1.268 10.802 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.816 -0.927 9.315 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.170 -2.544 11.160 1.00 0.00 C ATOM 0 H LEU A 26 -3.811 0.495 12.459 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.595 -1.091 13.523 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.844 0.829 11.221 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.389 -0.051 11.647 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.988 -1.456 11.007 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.146 -1.778 8.719 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.440 -0.062 9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.778 -0.698 9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.513 -3.363 10.528 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.103 -2.386 11.002 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.348 -2.794 12.206 1.00 0.00 H new ATOM 393 N SER A 27 -2.132 1.750 14.630 1.00 0.00 N ATOM 394 CA SER A 27 -1.659 2.823 15.488 1.00 0.00 C ATOM 395 C SER A 27 -0.697 3.727 14.714 1.00 0.00 C ATOM 396 O SER A 27 0.377 4.064 15.210 1.00 0.00 O ATOM 397 CB SER A 27 -0.975 2.266 16.738 1.00 0.00 C ATOM 398 OG SER A 27 -0.778 3.270 17.730 1.00 0.00 O ATOM 0 H SER A 27 -3.147 1.674 14.562 1.00 0.00 H new ATOM 0 HA SER A 27 -2.520 3.410 15.808 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.579 1.460 17.153 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.013 1.834 16.463 1.00 0.00 H new ATOM 0 HG SER A 27 -0.245 4.001 17.354 1.00 0.00 H new ATOM 404 N VAL A 28 -1.117 4.093 13.512 1.00 0.00 N ATOM 405 CA VAL A 28 -0.306 4.951 12.665 1.00 0.00 C ATOM 406 C VAL A 28 -1.212 5.952 11.946 1.00 0.00 C ATOM 407 O VAL A 28 -2.409 5.714 11.793 1.00 0.00 O ATOM 408 CB VAL A 28 0.527 4.101 11.704 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.646 3.369 12.449 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.356 3.115 10.937 1.00 0.00 C ATOM 0 H VAL A 28 -2.008 3.811 13.104 1.00 0.00 H new ATOM 0 HA VAL A 28 0.400 5.524 13.266 1.00 0.00 H new ATOM 0 HB VAL A 28 0.989 4.771 10.979 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.223 2.772 11.743 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.300 4.097 12.929 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.212 2.716 13.207 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.261 2.523 10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.859 2.453 11.642 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.100 3.665 10.361 1.00 0.00 H new ATOM 420 N GLU A 29 -0.605 7.052 11.523 1.00 0.00 N ATOM 421 CA GLU A 29 -1.342 8.091 10.823 1.00 0.00 C ATOM 422 C GLU A 29 -0.748 8.317 9.432 1.00 0.00 C ATOM 423 O GLU A 29 0.471 8.328 9.268 1.00 0.00 O ATOM 424 CB GLU A 29 -1.358 9.390 11.631 1.00 0.00 C ATOM 425 CG GLU A 29 -2.759 9.683 12.170 1.00 0.00 C ATOM 426 CD GLU A 29 -2.717 10.772 13.245 1.00 0.00 C ATOM 427 OE1 GLU A 29 -2.231 11.875 12.916 1.00 0.00 O ATOM 428 OE2 GLU A 29 -3.171 10.476 14.371 1.00 0.00 O ATOM 0 H GLU A 29 0.388 7.246 11.652 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.375 7.762 10.706 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.654 9.316 12.460 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.026 10.217 11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.408 9.998 11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.190 8.773 12.586 1.00 0.00 H new ATOM 435 N ILE A 30 -1.636 8.493 8.465 1.00 0.00 N ATOM 436 CA ILE A 30 -1.215 8.718 7.093 1.00 0.00 C ATOM 437 C ILE A 30 -2.133 9.757 6.446 1.00 0.00 C ATOM 438 O ILE A 30 -3.141 10.151 7.032 1.00 0.00 O ATOM 439 CB ILE A 30 -1.149 7.395 6.328 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.536 6.760 6.211 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.135 6.443 6.966 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.445 5.345 5.637 1.00 0.00 C ATOM 0 H ILE A 30 -2.646 8.484 8.605 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.204 9.125 7.067 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.803 7.603 5.315 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.009 6.728 7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.169 7.376 5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.108 5.510 6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.853 6.903 6.954 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.427 6.237 7.996 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.445 4.917 5.564 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.994 5.383 4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.832 4.726 6.291 1.00 0.00 H new ATOM 454 N LYS A 31 -1.752 10.172 5.247 1.00 0.00 N ATOM 455 CA LYS A 31 -2.529 11.158 4.514 1.00 0.00 C ATOM 456 C LYS A 31 -2.902 10.590 3.143 1.00 0.00 C ATOM 457 O LYS A 31 -2.354 9.574 2.718 1.00 0.00 O ATOM 458 CB LYS A 31 -1.778 12.489 4.445 1.00 0.00 C ATOM 459 CG LYS A 31 -2.184 13.408 5.599 1.00 0.00 C ATOM 460 CD LYS A 31 -2.661 14.765 5.076 1.00 0.00 C ATOM 461 CE LYS A 31 -4.100 15.046 5.513 1.00 0.00 C ATOM 462 NZ LYS A 31 -5.033 14.851 4.381 1.00 0.00 N ATOM 0 H LYS A 31 -0.916 9.844 4.764 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.462 11.372 5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.704 12.307 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.986 12.979 3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.977 12.939 6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.338 13.550 6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.004 15.553 5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.598 14.782 3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.373 14.384 6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.180 16.067 5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.005 15.046 4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.782 15.500 3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.968 13.870 4.043 1.00 0.00 H new ATOM 476 N LYS A 32 -3.832 11.271 2.489 1.00 0.00 N ATOM 477 CA LYS A 32 -4.284 10.848 1.175 1.00 0.00 C ATOM 478 C LYS A 32 -3.451 11.551 0.102 1.00 0.00 C ATOM 479 O LYS A 32 -3.495 11.176 -1.068 1.00 0.00 O ATOM 480 CB LYS A 32 -5.791 11.073 1.029 1.00 0.00 C ATOM 481 CG LYS A 32 -6.218 10.990 -0.438 1.00 0.00 C ATOM 482 CD LYS A 32 -7.674 10.536 -0.560 1.00 0.00 C ATOM 483 CE LYS A 32 -8.613 11.736 -0.695 1.00 0.00 C ATOM 484 NZ LYS A 32 -8.120 12.666 -1.736 1.00 0.00 N ATOM 0 H LYS A 32 -4.285 12.113 2.845 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.130 9.777 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.332 10.327 1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.058 12.049 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.096 11.964 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.570 10.293 -0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.784 9.884 -1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.951 9.950 0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.616 11.394 -0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.687 12.256 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.929 13.091 -2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.554 13.416 -1.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.531 12.145 -2.416 1.00 0.00 H new ATOM 498 N GLY A 33 -2.710 12.559 0.540 1.00 0.00 N ATOM 499 CA GLY A 33 -1.868 13.318 -0.368 1.00 0.00 C ATOM 500 C GLY A 33 -0.541 12.597 -0.618 1.00 0.00 C ATOM 501 O GLY A 33 -0.138 12.410 -1.765 1.00 0.00 O ATOM 0 H GLY A 33 -2.676 12.867 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.389 13.467 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.676 14.307 0.049 1.00 0.00 H new ATOM 505 N PRO A 34 0.118 12.203 0.504 1.00 0.00 N ATOM 506 CA PRO A 34 1.391 11.507 0.419 1.00 0.00 C ATOM 507 C PRO A 34 1.193 10.054 -0.018 1.00 0.00 C ATOM 508 O PRO A 34 1.991 9.518 -0.785 1.00 0.00 O ATOM 509 CB PRO A 34 2.002 11.633 1.805 1.00 0.00 C ATOM 510 CG PRO A 34 0.854 11.986 2.736 1.00 0.00 C ATOM 511 CD PRO A 34 -0.328 12.408 1.879 1.00 0.00 C ATOM 0 HA PRO A 34 2.054 11.933 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.478 10.701 2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.772 12.405 1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.589 11.130 3.357 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.143 12.792 3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.212 11.810 2.102 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.594 13.450 2.058 1.00 0.00 H new ATOM 519 N TRP A 35 0.125 9.457 0.491 1.00 0.00 N ATOM 520 CA TRP A 35 -0.188 8.077 0.163 1.00 0.00 C ATOM 521 C TRP A 35 -0.115 7.923 -1.358 1.00 0.00 C ATOM 522 O TRP A 35 0.494 6.981 -1.862 1.00 0.00 O ATOM 523 CB TRP A 35 -1.545 7.670 0.740 1.00 0.00 C ATOM 524 CG TRP A 35 -2.037 6.300 0.269 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.591 5.983 -0.909 1.00 0.00 C ATOM 526 CD2 TRP A 35 -1.996 5.067 1.019 1.00 0.00 C ATOM 527 NE1 TRP A 35 -2.909 4.641 -0.973 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.535 4.067 0.236 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.518 4.806 2.315 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.649 2.738 0.661 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.639 3.473 2.725 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.180 2.454 1.949 1.00 0.00 C ATOM 0 H TRP A 35 -0.534 9.904 1.128 1.00 0.00 H new ATOM 0 HA TRP A 35 0.536 7.400 0.616 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.479 7.666 1.828 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.284 8.423 0.468 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.767 6.688 -1.708 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.339 4.159 -1.763 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.091 5.573 2.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.076 1.973 0.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.287 3.218 3.714 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.238 1.448 2.338 1.00 0.00 H new ATOM 543 N ARG A 36 -0.745 8.864 -2.046 1.00 0.00 N ATOM 544 CA ARG A 36 -0.759 8.846 -3.499 1.00 0.00 C ATOM 545 C ARG A 36 0.634 9.158 -4.048 1.00 0.00 C ATOM 546 O ARG A 36 1.141 8.441 -4.910 1.00 0.00 O ATOM 547 CB ARG A 36 -1.758 9.864 -4.053 1.00 0.00 C ATOM 548 CG ARG A 36 -2.342 9.390 -5.385 1.00 0.00 C ATOM 549 CD ARG A 36 -3.860 9.220 -5.289 1.00 0.00 C ATOM 550 NE ARG A 36 -4.538 10.439 -5.782 1.00 0.00 N ATOM 551 CZ ARG A 36 -5.787 10.459 -6.268 1.00 0.00 C ATOM 552 NH1 ARG A 36 -6.501 9.326 -6.328 1.00 0.00 N ATOM 553 NH2 ARG A 36 -6.322 11.611 -6.693 1.00 0.00 N ATOM 0 H ARG A 36 -1.249 9.644 -1.624 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.062 7.848 -3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.562 10.018 -3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.264 10.826 -4.190 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.102 10.109 -6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.884 8.443 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.175 8.357 -5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.148 9.026 -4.256 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.023 11.319 -5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.094 8.449 -6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.451 9.341 -6.698 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.779 12.473 -6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.272 11.626 -7.063 1.00 0.00 H new ATOM 567 N THR A 37 1.215 10.228 -3.525 1.00 0.00 N ATOM 568 CA THR A 37 2.541 10.643 -3.951 1.00 0.00 C ATOM 569 C THR A 37 3.532 9.485 -3.817 1.00 0.00 C ATOM 570 O THR A 37 4.228 9.145 -4.773 1.00 0.00 O ATOM 571 CB THR A 37 2.934 11.877 -3.137 1.00 0.00 C ATOM 572 OG1 THR A 37 2.194 12.938 -3.734 1.00 0.00 O ATOM 573 CG2 THR A 37 4.396 12.277 -3.349 1.00 0.00 C ATOM 0 H THR A 37 0.792 10.820 -2.810 1.00 0.00 H new ATOM 0 HA THR A 37 2.550 10.915 -5.006 1.00 0.00 H new ATOM 0 HB THR A 37 2.760 11.683 -2.079 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.327 13.025 -3.286 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.623 13.158 -2.749 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.045 11.455 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.562 12.503 -4.402 1.00 0.00 H new ATOM 581 N PHE A 38 3.564 8.911 -2.623 1.00 0.00 N ATOM 582 CA PHE A 38 4.458 7.798 -2.352 1.00 0.00 C ATOM 583 C PHE A 38 4.228 6.656 -3.343 1.00 0.00 C ATOM 584 O PHE A 38 5.152 5.910 -3.661 1.00 0.00 O ATOM 585 CB PHE A 38 4.141 7.304 -0.939 1.00 0.00 C ATOM 586 CG PHE A 38 4.613 8.246 0.170 1.00 0.00 C ATOM 587 CD1 PHE A 38 5.773 8.941 0.024 1.00 0.00 C ATOM 588 CD2 PHE A 38 3.873 8.388 1.303 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.211 9.816 1.054 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.312 9.263 2.332 1.00 0.00 C ATOM 591 CZ PHE A 38 5.472 9.958 2.186 1.00 0.00 C ATOM 0 H PHE A 38 2.985 9.196 -1.833 1.00 0.00 H new ATOM 0 HA PHE A 38 5.495 8.121 -2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.064 7.163 -0.848 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.604 6.328 -0.794 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.361 8.828 -0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.952 7.836 1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.132 10.369 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.724 9.377 3.231 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.806 10.622 2.969 1.00 0.00 H new ATOM 601 N CYS A 39 2.989 6.554 -3.802 1.00 0.00 N ATOM 602 CA CYS A 39 2.625 5.515 -4.750 1.00 0.00 C ATOM 603 C CYS A 39 2.503 6.150 -6.136 1.00 0.00 C ATOM 604 O CYS A 39 1.957 5.543 -7.056 1.00 0.00 O ATOM 605 CB CYS A 39 1.340 4.796 -4.336 1.00 0.00 C ATOM 606 SG CYS A 39 1.212 3.191 -5.205 1.00 0.00 S ATOM 0 H CYS A 39 2.225 7.174 -3.535 1.00 0.00 H new ATOM 0 HA CYS A 39 3.401 4.750 -4.770 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.334 4.636 -3.258 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.475 5.416 -4.571 1.00 0.00 H new ATOM 0 HG CYS A 39 2.194 2.421 -4.841 1.00 0.00 H new ATOM 612 N ALA A 40 3.021 7.365 -6.243 1.00 0.00 N ATOM 613 CA ALA A 40 2.977 8.090 -7.502 1.00 0.00 C ATOM 614 C ALA A 40 4.307 7.911 -8.235 1.00 0.00 C ATOM 615 O ALA A 40 4.340 7.400 -9.354 1.00 0.00 O ATOM 616 CB ALA A 40 2.653 9.561 -7.233 1.00 0.00 C ATOM 0 H ALA A 40 3.473 7.866 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 40 2.190 7.695 -8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.620 10.105 -8.177 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.685 9.636 -6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.423 9.992 -6.593 1.00 0.00 H new ATOM 622 N SER A 41 5.373 8.341 -7.576 1.00 0.00 N ATOM 623 CA SER A 41 6.703 8.234 -8.151 1.00 0.00 C ATOM 624 C SER A 41 7.747 8.121 -7.039 1.00 0.00 C ATOM 625 O SER A 41 8.852 8.646 -7.164 1.00 0.00 O ATOM 626 CB SER A 41 7.012 9.434 -9.049 1.00 0.00 C ATOM 627 OG SER A 41 7.829 9.073 -10.159 1.00 0.00 O ATOM 0 H SER A 41 5.342 8.765 -6.649 1.00 0.00 H new ATOM 0 HA SER A 41 6.738 7.335 -8.766 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.079 9.866 -9.411 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.514 10.205 -8.464 1.00 0.00 H new ATOM 0 HG SER A 41 8.003 9.865 -10.709 1.00 0.00 H new ATOM 633 N GLU A 42 7.360 7.432 -5.975 1.00 0.00 N ATOM 634 CA GLU A 42 8.249 7.244 -4.842 1.00 0.00 C ATOM 635 C GLU A 42 8.586 5.761 -4.673 1.00 0.00 C ATOM 636 O GLU A 42 9.755 5.396 -4.556 1.00 0.00 O ATOM 637 CB GLU A 42 7.634 7.815 -3.562 1.00 0.00 C ATOM 638 CG GLU A 42 8.722 8.240 -2.574 1.00 0.00 C ATOM 639 CD GLU A 42 9.097 9.710 -2.770 1.00 0.00 C ATOM 640 OE1 GLU A 42 9.980 9.962 -3.618 1.00 0.00 O ATOM 641 OE2 GLU A 42 8.493 10.548 -2.066 1.00 0.00 O ATOM 0 H GLU A 42 6.443 6.997 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 42 9.174 7.788 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.005 8.671 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.989 7.068 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.373 8.083 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.605 7.615 -2.709 1.00 0.00 H new ATOM 648 N TRP A 43 7.542 4.946 -4.666 1.00 0.00 N ATOM 649 CA TRP A 43 7.713 3.511 -4.513 1.00 0.00 C ATOM 650 C TRP A 43 8.202 2.949 -5.850 1.00 0.00 C ATOM 651 O TRP A 43 9.113 2.123 -5.884 1.00 0.00 O ATOM 652 CB TRP A 43 6.421 2.853 -4.025 1.00 0.00 C ATOM 653 CG TRP A 43 6.176 3.002 -2.523 1.00 0.00 C ATOM 654 CD1 TRP A 43 7.027 3.446 -1.588 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.958 2.687 -1.815 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.450 3.440 -0.334 1.00 0.00 N ATOM 657 CE2 TRP A 43 5.152 2.964 -0.477 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.734 2.184 -2.289 1.00 0.00 C ATOM 659 CZ2 TRP A 43 4.164 2.770 0.497 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.757 1.996 -1.304 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.937 2.270 0.047 1.00 0.00 C ATOM 0 H TRP A 43 6.574 5.252 -4.764 1.00 0.00 H new ATOM 0 HA TRP A 43 8.458 3.291 -3.748 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.579 3.286 -4.565 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.449 1.792 -4.275 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.038 3.768 -1.790 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.894 3.731 0.537 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.561 1.960 -3.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.340 2.994 1.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.797 1.611 -1.615 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.133 2.098 0.747 1.00 0.00 H new ATOM 672 N PRO A 44 7.559 3.432 -6.946 1.00 0.00 N ATOM 673 CA PRO A 44 7.919 2.986 -8.282 1.00 0.00 C ATOM 674 C PRO A 44 9.237 3.619 -8.734 1.00 0.00 C ATOM 675 O PRO A 44 9.691 3.384 -9.853 1.00 0.00 O ATOM 676 CB PRO A 44 6.741 3.379 -9.158 1.00 0.00 C ATOM 677 CG PRO A 44 5.976 4.436 -8.379 1.00 0.00 C ATOM 678 CD PRO A 44 6.476 4.411 -6.944 1.00 0.00 C ATOM 0 HA PRO A 44 8.096 1.912 -8.334 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.081 3.770 -10.117 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.109 2.517 -9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.130 5.421 -8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.905 4.235 -8.414 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.831 5.393 -6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.683 4.123 -6.253 1.00 0.00 H new ATOM 686 N THR A 45 9.816 4.407 -7.840 1.00 0.00 N ATOM 687 CA THR A 45 11.073 5.075 -8.133 1.00 0.00 C ATOM 688 C THR A 45 12.175 4.568 -7.201 1.00 0.00 C ATOM 689 O THR A 45 13.185 5.242 -7.005 1.00 0.00 O ATOM 690 CB THR A 45 10.841 6.584 -8.035 1.00 0.00 C ATOM 691 OG1 THR A 45 10.228 6.759 -6.760 1.00 0.00 O ATOM 692 CG2 THR A 45 9.786 7.080 -9.026 1.00 0.00 C ATOM 0 H THR A 45 9.438 4.598 -6.912 1.00 0.00 H new ATOM 0 HA THR A 45 11.415 4.850 -9.143 1.00 0.00 H new ATOM 0 HB THR A 45 11.780 7.108 -8.212 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.597 6.107 -6.128 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.660 8.157 -8.915 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.108 6.856 -10.043 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.837 6.581 -8.827 1.00 0.00 H new ATOM 700 N PHE A 46 11.944 3.384 -6.652 1.00 0.00 N ATOM 701 CA PHE A 46 12.905 2.779 -5.746 1.00 0.00 C ATOM 702 C PHE A 46 13.740 1.716 -6.462 1.00 0.00 C ATOM 703 O PHE A 46 14.642 1.126 -5.869 1.00 0.00 O ATOM 704 CB PHE A 46 12.105 2.112 -4.625 1.00 0.00 C ATOM 705 CG PHE A 46 11.730 3.057 -3.482 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.888 4.400 -3.629 1.00 0.00 C ATOM 707 CD2 PHE A 46 11.238 2.554 -2.317 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.539 5.276 -2.568 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.889 3.431 -1.256 1.00 0.00 C ATOM 710 CZ PHE A 46 11.047 4.773 -1.404 1.00 0.00 C ATOM 0 H PHE A 46 11.105 2.828 -6.817 1.00 0.00 H new ATOM 0 HA PHE A 46 13.585 3.540 -5.363 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.194 1.688 -5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.686 1.283 -4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.279 4.800 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.113 1.488 -2.199 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.664 6.342 -2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.498 3.032 -0.332 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.782 5.440 -0.597 1.00 0.00 H new ATOM 720 N ASP A 47 13.411 1.504 -7.728 1.00 0.00 N ATOM 721 CA ASP A 47 14.119 0.522 -8.531 1.00 0.00 C ATOM 722 C ASP A 47 13.996 -0.853 -7.874 1.00 0.00 C ATOM 723 O ASP A 47 14.906 -1.294 -7.173 1.00 0.00 O ATOM 724 CB ASP A 47 15.606 0.866 -8.636 1.00 0.00 C ATOM 725 CG ASP A 47 16.018 1.574 -9.927 1.00 0.00 C ATOM 726 OD1 ASP A 47 15.766 2.796 -10.009 1.00 0.00 O ATOM 727 OD2 ASP A 47 16.574 0.879 -10.804 1.00 0.00 O ATOM 0 H ASP A 47 12.663 1.996 -8.217 1.00 0.00 H new ATOM 0 HA ASP A 47 13.678 0.520 -9.528 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.877 1.498 -7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.183 -0.054 -8.544 1.00 0.00 H new ATOM 732 N VAL A 48 12.863 -1.494 -8.122 1.00 0.00 N ATOM 733 CA VAL A 48 12.609 -2.810 -7.562 1.00 0.00 C ATOM 734 C VAL A 48 11.647 -3.571 -8.477 1.00 0.00 C ATOM 735 O VAL A 48 11.870 -4.742 -8.782 1.00 0.00 O ATOM 736 CB VAL A 48 12.093 -2.679 -6.128 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.223 -2.293 -5.172 1.00 0.00 C ATOM 738 CG2 VAL A 48 10.942 -1.674 -6.050 1.00 0.00 C ATOM 0 H VAL A 48 12.110 -1.126 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 48 13.532 -3.387 -7.508 1.00 0.00 H new ATOM 0 HB VAL A 48 11.711 -3.652 -5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.829 -2.206 -4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 48 13.998 -3.060 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.649 -1.338 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.593 -1.599 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.288 -0.697 -6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.123 -2.008 -6.687 1.00 0.00 H new ATOM 748 N GLY A 49 10.597 -2.875 -8.888 1.00 0.00 N ATOM 749 CA GLY A 49 9.600 -3.471 -9.761 1.00 0.00 C ATOM 750 C GLY A 49 8.185 -3.115 -9.301 1.00 0.00 C ATOM 751 O GLY A 49 7.285 -3.953 -9.344 1.00 0.00 O ATOM 0 H GLY A 49 10.415 -1.904 -8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.752 -3.124 -10.783 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.721 -4.554 -9.771 1.00 0.00 H new ATOM 755 N TRP A 50 8.033 -1.871 -8.870 1.00 0.00 N ATOM 756 CA TRP A 50 6.742 -1.395 -8.402 1.00 0.00 C ATOM 757 C TRP A 50 6.156 -0.481 -9.481 1.00 0.00 C ATOM 758 O TRP A 50 6.784 0.500 -9.877 1.00 0.00 O ATOM 759 CB TRP A 50 6.873 -0.707 -7.042 1.00 0.00 C ATOM 760 CG TRP A 50 5.578 -0.061 -6.544 1.00 0.00 C ATOM 761 CD1 TRP A 50 5.011 1.079 -6.962 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.706 -0.568 -5.512 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.842 1.343 -6.277 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.651 0.309 -5.367 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.806 -1.730 -4.726 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.616 0.118 -4.444 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.763 -1.907 -3.808 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.694 -1.033 -3.650 1.00 0.00 C ATOM 0 H TRP A 50 8.782 -1.179 -8.835 1.00 0.00 H new ATOM 0 HA TRP A 50 6.057 -2.228 -8.242 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.208 -1.439 -6.307 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.647 0.058 -7.106 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.417 1.712 -7.737 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.231 2.148 -6.413 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.622 -2.430 -4.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.801 0.820 -4.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.791 -2.784 -3.179 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.927 -1.240 -2.918 1.00 0.00 H new ATOM 779 N PRO A 51 4.928 -0.845 -9.936 1.00 0.00 N ATOM 780 CA PRO A 51 4.250 -0.069 -10.961 1.00 0.00 C ATOM 781 C PRO A 51 3.688 1.231 -10.383 1.00 0.00 C ATOM 782 O PRO A 51 3.631 1.400 -9.166 1.00 0.00 O ATOM 783 CB PRO A 51 3.171 -0.992 -11.504 1.00 0.00 C ATOM 784 CG PRO A 51 2.981 -2.074 -10.454 1.00 0.00 C ATOM 785 CD PRO A 51 4.154 -2.000 -9.490 1.00 0.00 C ATOM 0 HA PRO A 51 4.921 0.251 -11.758 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.242 -0.448 -11.677 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.470 -1.423 -12.459 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.040 -1.929 -9.922 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.934 -3.057 -10.923 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.814 -1.876 -8.462 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.750 -2.912 -9.521 1.00 0.00 H new ATOM 793 N PRO A 52 3.278 2.141 -11.306 1.00 0.00 N ATOM 794 CA PRO A 52 2.723 3.421 -10.901 1.00 0.00 C ATOM 795 C PRO A 52 1.295 3.258 -10.376 1.00 0.00 C ATOM 796 O PRO A 52 0.817 4.084 -9.599 1.00 0.00 O ATOM 797 CB PRO A 52 2.803 4.296 -12.142 1.00 0.00 C ATOM 798 CG PRO A 52 2.966 3.342 -13.314 1.00 0.00 C ATOM 799 CD PRO A 52 3.330 1.976 -12.756 1.00 0.00 C ATOM 0 HA PRO A 52 3.271 3.874 -10.075 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.903 4.900 -12.253 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.645 4.986 -12.080 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.043 3.285 -13.891 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.743 3.698 -13.990 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.630 1.211 -13.093 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.322 1.666 -13.084 1.00 0.00 H new ATOM 807 N GLU A 53 0.653 2.188 -10.821 1.00 0.00 N ATOM 808 CA GLU A 53 -0.710 1.906 -10.406 1.00 0.00 C ATOM 809 C GLU A 53 -0.716 1.173 -9.064 1.00 0.00 C ATOM 810 O GLU A 53 -1.727 1.159 -8.363 1.00 0.00 O ATOM 811 CB GLU A 53 -1.454 1.101 -11.474 1.00 0.00 C ATOM 812 CG GLU A 53 -1.766 1.968 -12.696 1.00 0.00 C ATOM 813 CD GLU A 53 -2.739 3.092 -12.336 1.00 0.00 C ATOM 814 OE1 GLU A 53 -3.425 2.940 -11.302 1.00 0.00 O ATOM 815 OE2 GLU A 53 -2.775 4.079 -13.103 1.00 0.00 O ATOM 0 H GLU A 53 1.052 1.506 -11.465 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.234 2.854 -10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.850 0.245 -11.776 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.381 0.707 -11.057 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.843 2.393 -13.090 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.194 1.350 -13.485 1.00 0.00 H new ATOM 822 N GLY A 54 0.426 0.580 -8.745 1.00 0.00 N ATOM 823 CA GLY A 54 0.566 -0.155 -7.499 1.00 0.00 C ATOM 824 C GLY A 54 0.378 -1.656 -7.724 1.00 0.00 C ATOM 825 O GLY A 54 0.162 -2.097 -8.852 1.00 0.00 O ATOM 0 H GLY A 54 1.263 0.594 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.551 0.032 -7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.168 0.203 -6.777 1.00 0.00 H new ATOM 829 N THR A 55 0.467 -2.401 -6.631 1.00 0.00 N ATOM 830 CA THR A 55 0.309 -3.844 -6.695 1.00 0.00 C ATOM 831 C THR A 55 0.116 -4.422 -5.291 1.00 0.00 C ATOM 832 O THR A 55 0.684 -3.916 -4.324 1.00 0.00 O ATOM 833 CB THR A 55 1.523 -4.420 -7.427 1.00 0.00 C ATOM 834 OG1 THR A 55 1.185 -5.789 -7.634 1.00 0.00 O ATOM 835 CG2 THR A 55 2.770 -4.473 -6.543 1.00 0.00 C ATOM 0 H THR A 55 0.646 -2.032 -5.697 1.00 0.00 H new ATOM 0 HA THR A 55 -0.586 -4.120 -7.252 1.00 0.00 H new ATOM 0 HB THR A 55 1.732 -3.819 -8.312 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.917 -6.239 -8.105 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.602 -4.890 -7.111 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.025 -3.466 -6.213 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.574 -5.101 -5.674 1.00 0.00 H new ATOM 843 N PHE A 56 -0.687 -5.473 -5.224 1.00 0.00 N ATOM 844 CA PHE A 56 -0.962 -6.125 -3.955 1.00 0.00 C ATOM 845 C PHE A 56 -0.120 -7.392 -3.795 1.00 0.00 C ATOM 846 O PHE A 56 -0.546 -8.347 -3.148 1.00 0.00 O ATOM 847 CB PHE A 56 -2.443 -6.509 -3.961 1.00 0.00 C ATOM 848 CG PHE A 56 -3.393 -5.326 -3.762 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.437 -4.683 -2.564 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.195 -4.918 -4.782 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.319 -3.586 -2.379 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.076 -3.820 -4.597 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.120 -3.177 -3.400 1.00 0.00 C ATOM 0 H PHE A 56 -1.156 -5.890 -6.028 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.719 -5.453 -3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.678 -6.995 -4.908 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.621 -7.241 -3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.801 -5.007 -1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.162 -5.429 -5.733 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.354 -3.076 -1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.712 -3.495 -5.408 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.790 -2.342 -3.260 1.00 0.00 H new ATOM 863 N ASP A 57 1.060 -7.359 -4.397 1.00 0.00 N ATOM 864 CA ASP A 57 1.966 -8.493 -4.330 1.00 0.00 C ATOM 865 C ASP A 57 2.906 -8.319 -3.136 1.00 0.00 C ATOM 866 O ASP A 57 3.821 -7.498 -3.176 1.00 0.00 O ATOM 867 CB ASP A 57 2.821 -8.591 -5.595 1.00 0.00 C ATOM 868 CG ASP A 57 3.662 -9.864 -5.710 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.505 -10.730 -4.823 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.443 -9.942 -6.683 1.00 0.00 O ATOM 0 H ASP A 57 1.409 -6.565 -4.933 1.00 0.00 H new ATOM 0 HA ASP A 57 1.367 -9.398 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.166 -8.526 -6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.487 -7.729 -5.633 1.00 0.00 H new ATOM 875 N LEU A 58 2.649 -9.106 -2.101 1.00 0.00 N ATOM 876 CA LEU A 58 3.462 -9.050 -0.898 1.00 0.00 C ATOM 877 C LEU A 58 4.941 -9.029 -1.287 1.00 0.00 C ATOM 878 O LEU A 58 5.743 -8.342 -0.657 1.00 0.00 O ATOM 879 CB LEU A 58 3.091 -10.190 0.053 1.00 0.00 C ATOM 880 CG LEU A 58 3.030 -9.831 1.539 1.00 0.00 C ATOM 881 CD1 LEU A 58 1.680 -9.205 1.896 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.346 -11.048 2.411 1.00 0.00 C ATOM 0 H LEU A 58 1.889 -9.786 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 58 3.265 -8.130 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.119 -10.584 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.815 -10.995 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 58 3.796 -9.083 1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.662 -8.959 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.534 -8.297 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.881 -9.912 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.296 -10.765 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.620 -11.836 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.348 -11.411 2.180 1.00 0.00 H new ATOM 894 N THR A 59 5.258 -9.792 -2.323 1.00 0.00 N ATOM 895 CA THR A 59 6.627 -9.870 -2.803 1.00 0.00 C ATOM 896 C THR A 59 7.137 -8.480 -3.191 1.00 0.00 C ATOM 897 O THR A 59 8.207 -8.063 -2.753 1.00 0.00 O ATOM 898 CB THR A 59 6.667 -10.876 -3.956 1.00 0.00 C ATOM 899 OG1 THR A 59 6.548 -12.143 -3.315 1.00 0.00 O ATOM 900 CG2 THR A 59 8.036 -10.930 -4.638 1.00 0.00 C ATOM 0 H THR A 59 4.590 -10.361 -2.843 1.00 0.00 H new ATOM 0 HA THR A 59 7.301 -10.222 -2.022 1.00 0.00 H new ATOM 0 HB THR A 59 5.905 -10.617 -4.691 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.563 -12.854 -3.990 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.010 -11.659 -5.448 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.281 -9.947 -5.041 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.793 -11.223 -3.911 1.00 0.00 H new ATOM 908 N VAL A 60 6.345 -7.803 -4.010 1.00 0.00 N ATOM 909 CA VAL A 60 6.703 -6.469 -4.462 1.00 0.00 C ATOM 910 C VAL A 60 6.607 -5.494 -3.287 1.00 0.00 C ATOM 911 O VAL A 60 7.397 -4.556 -3.188 1.00 0.00 O ATOM 912 CB VAL A 60 5.823 -6.065 -5.647 1.00 0.00 C ATOM 913 CG1 VAL A 60 6.145 -4.643 -6.109 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.964 -7.061 -6.800 1.00 0.00 C ATOM 0 H VAL A 60 5.458 -8.153 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 60 7.733 -6.450 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 60 4.785 -6.083 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.506 -4.381 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.969 -3.946 -5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.190 -4.588 -6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.328 -6.750 -7.629 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.002 -7.091 -7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.662 -8.053 -6.463 1.00 0.00 H new ATOM 924 N ILE A 61 5.633 -5.749 -2.426 1.00 0.00 N ATOM 925 CA ILE A 61 5.424 -4.906 -1.261 1.00 0.00 C ATOM 926 C ILE A 61 6.630 -5.027 -0.326 1.00 0.00 C ATOM 927 O ILE A 61 7.227 -4.022 0.056 1.00 0.00 O ATOM 928 CB ILE A 61 4.090 -5.239 -0.591 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.916 -4.930 -1.522 1.00 0.00 C ATOM 930 CG2 ILE A 61 3.958 -4.522 0.755 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.589 -5.351 -0.889 1.00 0.00 C ATOM 0 H ILE A 61 4.980 -6.528 -2.512 1.00 0.00 H new ATOM 0 HA ILE A 61 5.353 -3.859 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 61 4.068 -6.310 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.895 -3.863 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.052 -5.451 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.001 -4.776 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.768 -4.834 1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.012 -3.444 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.771 -5.120 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.604 -6.423 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.444 -4.811 0.046 1.00 0.00 H new ATOM 943 N PHE A 62 6.951 -6.266 0.015 1.00 0.00 N ATOM 944 CA PHE A 62 8.074 -6.532 0.898 1.00 0.00 C ATOM 945 C PHE A 62 9.352 -5.875 0.372 1.00 0.00 C ATOM 946 O PHE A 62 10.266 -5.583 1.142 1.00 0.00 O ATOM 947 CB PHE A 62 8.270 -8.049 0.929 1.00 0.00 C ATOM 948 CG PHE A 62 7.648 -8.732 2.149 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.313 -8.621 2.383 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.430 -9.449 2.999 1.00 0.00 C ATOM 951 CE1 PHE A 62 5.736 -9.255 3.515 1.00 0.00 C ATOM 952 CE2 PHE A 62 7.853 -10.083 4.131 1.00 0.00 C ATOM 953 CZ PHE A 62 6.518 -9.972 4.366 1.00 0.00 C ATOM 0 H PHE A 62 6.453 -7.097 -0.304 1.00 0.00 H new ATOM 0 HA PHE A 62 7.871 -6.128 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.839 -8.479 0.025 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.338 -8.268 0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.692 -8.051 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.490 -9.536 2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.676 -9.168 3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.474 -10.653 4.805 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.079 -10.453 5.228 1.00 0.00 H new ATOM 963 N GLU A 63 9.375 -5.662 -0.935 1.00 0.00 N ATOM 964 CA GLU A 63 10.526 -5.046 -1.573 1.00 0.00 C ATOM 965 C GLU A 63 10.580 -3.553 -1.242 1.00 0.00 C ATOM 966 O GLU A 63 11.603 -3.054 -0.775 1.00 0.00 O ATOM 967 CB GLU A 63 10.500 -5.271 -3.086 1.00 0.00 C ATOM 968 CG GLU A 63 10.819 -6.728 -3.430 1.00 0.00 C ATOM 969 CD GLU A 63 12.325 -6.991 -3.359 1.00 0.00 C ATOM 970 OE1 GLU A 63 13.070 -6.187 -3.960 1.00 0.00 O ATOM 971 OE2 GLU A 63 12.696 -7.989 -2.705 1.00 0.00 O ATOM 0 H GLU A 63 8.615 -5.905 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 63 11.428 -5.518 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.518 -5.007 -3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.224 -4.613 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.297 -7.391 -2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.453 -6.958 -4.431 1.00 0.00 H new ATOM 978 N VAL A 64 9.466 -2.882 -1.496 1.00 0.00 N ATOM 979 CA VAL A 64 9.374 -1.457 -1.230 1.00 0.00 C ATOM 980 C VAL A 64 9.380 -1.223 0.282 1.00 0.00 C ATOM 981 O VAL A 64 9.986 -0.266 0.763 1.00 0.00 O ATOM 982 CB VAL A 64 8.139 -0.875 -1.920 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.775 0.491 -1.333 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.347 -0.784 -3.433 1.00 0.00 C ATOM 0 H VAL A 64 8.620 -3.299 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 64 10.237 -0.935 -1.643 1.00 0.00 H new ATOM 0 HB VAL A 64 7.304 -1.551 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.894 0.882 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.563 0.385 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.609 1.180 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.454 -0.367 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.201 -0.140 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.535 -1.780 -3.835 1.00 0.00 H new ATOM 994 N LYS A 65 8.699 -2.112 0.989 1.00 0.00 N ATOM 995 CA LYS A 65 8.619 -2.014 2.436 1.00 0.00 C ATOM 996 C LYS A 65 10.017 -2.187 3.033 1.00 0.00 C ATOM 997 O LYS A 65 10.449 -1.381 3.856 1.00 0.00 O ATOM 998 CB LYS A 65 7.590 -3.005 2.984 1.00 0.00 C ATOM 999 CG LYS A 65 7.595 -3.012 4.514 1.00 0.00 C ATOM 1000 CD LYS A 65 6.939 -4.282 5.059 1.00 0.00 C ATOM 1001 CE LYS A 65 7.668 -4.783 6.307 1.00 0.00 C ATOM 1002 NZ LYS A 65 8.108 -6.184 6.123 1.00 0.00 N ATOM 0 H LYS A 65 8.197 -2.904 0.587 1.00 0.00 H new ATOM 0 HA LYS A 65 8.266 -1.026 2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.597 -2.741 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.810 -4.006 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.620 -2.943 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.065 -2.136 4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.895 -4.082 5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.947 -5.057 4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.531 -4.149 6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.009 -4.713 7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.601 -6.508 6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.279 -6.788 5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.753 -6.241 5.309 1.00 0.00 H new ATOM 1016 N ALA A 66 10.686 -3.244 2.596 1.00 0.00 N ATOM 1017 CA ALA A 66 12.026 -3.533 3.077 1.00 0.00 C ATOM 1018 C ALA A 66 12.924 -2.319 2.833 1.00 0.00 C ATOM 1019 O ALA A 66 13.932 -2.140 3.515 1.00 0.00 O ATOM 1020 CB ALA A 66 12.553 -4.795 2.391 1.00 0.00 C ATOM 0 H ALA A 66 10.325 -3.911 1.914 1.00 0.00 H new ATOM 0 HA ALA A 66 12.016 -3.725 4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.558 -5.012 2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.896 -5.634 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.580 -4.639 1.313 1.00 0.00 H new ATOM 1026 N ILE A 67 12.526 -1.515 1.857 1.00 0.00 N ATOM 1027 CA ILE A 67 13.282 -0.323 1.515 1.00 0.00 C ATOM 1028 C ILE A 67 12.960 0.786 2.518 1.00 0.00 C ATOM 1029 O ILE A 67 13.863 1.435 3.044 1.00 0.00 O ATOM 1030 CB ILE A 67 13.027 0.073 0.059 1.00 0.00 C ATOM 1031 CG1 ILE A 67 13.630 -0.954 -0.902 1.00 0.00 C ATOM 1032 CG2 ILE A 67 13.537 1.488 -0.222 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.007 -0.835 -2.294 1.00 0.00 C ATOM 0 H ILE A 67 11.690 -1.666 1.293 1.00 0.00 H new ATOM 0 HA ILE A 67 14.352 -0.517 1.587 1.00 0.00 H new ATOM 0 HB ILE A 67 11.950 0.079 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.708 -0.806 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.470 -1.959 -0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.343 1.744 -1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.022 2.196 0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.609 1.533 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.453 -1.576 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.933 -1.008 -2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.190 0.164 -2.690 1.00 0.00 H new ATOM 1045 N VAL A 68 11.669 0.970 2.755 1.00 0.00 N ATOM 1046 CA VAL A 68 11.216 1.989 3.686 1.00 0.00 C ATOM 1047 C VAL A 68 11.574 1.566 5.112 1.00 0.00 C ATOM 1048 O VAL A 68 11.887 2.407 5.953 1.00 0.00 O ATOM 1049 CB VAL A 68 9.720 2.244 3.496 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.322 2.105 2.025 1.00 0.00 C ATOM 1051 CG2 VAL A 68 8.888 1.313 4.380 1.00 0.00 C ATOM 0 H VAL A 68 10.922 0.430 2.318 1.00 0.00 H new ATOM 0 HA VAL A 68 11.720 2.935 3.491 1.00 0.00 H new ATOM 0 HB VAL A 68 9.514 3.269 3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.253 2.291 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.878 2.828 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.551 1.097 1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.828 1.515 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.101 0.276 4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.141 1.483 5.427 1.00 0.00 H new ATOM 1061 N PHE A 69 11.517 0.262 5.340 1.00 0.00 N ATOM 1062 CA PHE A 69 11.831 -0.283 6.650 1.00 0.00 C ATOM 1063 C PHE A 69 13.294 -0.725 6.723 1.00 0.00 C ATOM 1064 O PHE A 69 13.606 -1.753 7.322 1.00 0.00 O ATOM 1065 CB PHE A 69 10.931 -1.503 6.854 1.00 0.00 C ATOM 1066 CG PHE A 69 9.559 -1.173 7.444 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.405 -1.072 8.792 1.00 0.00 C ATOM 1068 CD2 PHE A 69 8.493 -0.979 6.622 1.00 0.00 C ATOM 1069 CE1 PHE A 69 8.131 -0.766 9.340 1.00 0.00 C ATOM 1070 CE2 PHE A 69 7.220 -0.673 7.170 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.065 -0.572 8.517 1.00 0.00 C ATOM 0 H PHE A 69 11.258 -0.433 4.640 1.00 0.00 H new ATOM 0 HA PHE A 69 11.669 0.474 7.417 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.792 -2.003 5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.438 -2.209 7.512 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.251 -1.224 9.445 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.615 -1.058 5.552 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.008 -0.687 10.410 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.374 -0.520 6.517 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.096 -0.338 8.933 1.00 0.00 H new ATOM 1081 N GLN A 70 14.152 0.074 6.105 1.00 0.00 N ATOM 1082 CA GLN A 70 15.574 -0.222 6.093 1.00 0.00 C ATOM 1083 C GLN A 70 16.273 0.483 7.257 1.00 0.00 C ATOM 1084 O GLN A 70 15.706 1.383 7.873 1.00 0.00 O ATOM 1085 CB GLN A 70 16.205 0.172 4.756 1.00 0.00 C ATOM 1086 CG GLN A 70 16.322 1.692 4.631 1.00 0.00 C ATOM 1087 CD GLN A 70 17.224 2.079 3.458 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.339 2.544 3.625 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.681 1.861 2.263 1.00 0.00 N ATOM 0 H GLN A 70 13.889 0.926 5.609 1.00 0.00 H new ATOM 0 HA GLN A 70 15.702 -1.298 6.215 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.193 -0.281 4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.602 -0.218 3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.332 2.126 4.491 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.724 2.106 5.555 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.742 1.469 2.193 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.204 2.086 1.417 1.00 0.00 H new ATOM 1149 N HIS A 76 12.356 5.211 5.578 1.00 0.00 N ATOM 1150 CA HIS A 76 11.212 6.102 5.474 1.00 0.00 C ATOM 1151 C HIS A 76 10.186 5.746 6.552 1.00 0.00 C ATOM 1152 O HIS A 76 9.344 4.872 6.349 1.00 0.00 O ATOM 1153 CB HIS A 76 10.624 6.069 4.062 1.00 0.00 C ATOM 1154 CG HIS A 76 11.630 5.742 2.985 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.795 6.466 2.802 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.634 4.760 2.038 1.00 0.00 C ATOM 1157 CE1 HIS A 76 13.462 5.936 1.787 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.741 4.879 1.315 1.00 0.00 N ATOM 0 HA HIS A 76 11.530 7.130 5.648 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.821 5.332 4.031 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.175 7.038 3.844 1.00 0.00 H new ATOM 0 HD1 HIS A 76 13.090 7.271 3.355 1.00 0.00 H new ATOM 0 HD2 HIS A 76 10.867 4.013 1.900 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.410 6.281 1.401 1.00 0.00 H new ATOM 1166 N PRO A 77 10.292 6.461 7.705 1.00 0.00 N ATOM 1167 CA PRO A 77 9.384 6.230 8.815 1.00 0.00 C ATOM 1168 C PRO A 77 8.006 6.830 8.529 1.00 0.00 C ATOM 1169 O PRO A 77 7.071 6.644 9.307 1.00 0.00 O ATOM 1170 CB PRO A 77 10.067 6.857 10.019 1.00 0.00 C ATOM 1171 CG PRO A 77 11.104 7.816 9.457 1.00 0.00 C ATOM 1172 CD PRO A 77 11.276 7.503 7.980 1.00 0.00 C ATOM 0 HA PRO A 77 9.193 5.171 8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.347 7.383 10.646 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.536 6.096 10.642 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.783 8.849 9.593 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.052 7.705 9.984 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.100 8.386 7.365 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.288 7.160 7.763 1.00 0.00 H new ATOM 1180 N ASP A 78 7.923 7.537 7.412 1.00 0.00 N ATOM 1181 CA ASP A 78 6.675 8.165 7.014 1.00 0.00 C ATOM 1182 C ASP A 78 5.860 7.182 6.172 1.00 0.00 C ATOM 1183 O ASP A 78 4.639 7.113 6.300 1.00 0.00 O ATOM 1184 CB ASP A 78 6.932 9.414 6.168 1.00 0.00 C ATOM 1185 CG ASP A 78 7.389 10.644 6.953 1.00 0.00 C ATOM 1186 OD1 ASP A 78 8.596 10.695 7.277 1.00 0.00 O ATOM 1187 OD2 ASP A 78 6.523 11.507 7.212 1.00 0.00 O ATOM 0 H ASP A 78 8.700 7.689 6.769 1.00 0.00 H new ATOM 0 HA ASP A 78 6.136 8.447 7.918 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.688 9.178 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.018 9.664 5.630 1.00 0.00 H new ATOM 1192 N GLN A 79 6.569 6.446 5.328 1.00 0.00 N ATOM 1193 CA GLN A 79 5.926 5.470 4.465 1.00 0.00 C ATOM 1194 C GLN A 79 5.810 4.123 5.181 1.00 0.00 C ATOM 1195 O GLN A 79 5.041 3.259 4.763 1.00 0.00 O ATOM 1196 CB GLN A 79 6.683 5.325 3.143 1.00 0.00 C ATOM 1197 CG GLN A 79 7.012 6.695 2.546 1.00 0.00 C ATOM 1198 CD GLN A 79 8.369 6.674 1.839 1.00 0.00 C ATOM 1199 OE1 GLN A 79 9.035 5.656 1.750 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.738 7.851 1.343 1.00 0.00 N ATOM 0 H GLN A 79 7.582 6.506 5.224 1.00 0.00 H new ATOM 0 HA GLN A 79 4.921 5.824 4.234 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.604 4.765 3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.082 4.751 2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.234 6.984 1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.021 7.447 3.335 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.132 8.664 1.453 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.628 7.941 0.852 1.00 0.00 H new ATOM 1209 N GLN A 80 6.586 3.986 6.246 1.00 0.00 N ATOM 1210 CA GLN A 80 6.579 2.759 7.024 1.00 0.00 C ATOM 1211 C GLN A 80 5.144 2.351 7.361 1.00 0.00 C ATOM 1212 O GLN A 80 4.759 1.200 7.163 1.00 0.00 O ATOM 1213 CB GLN A 80 7.419 2.910 8.294 1.00 0.00 C ATOM 1214 CG GLN A 80 8.805 2.290 8.113 1.00 0.00 C ATOM 1215 CD GLN A 80 9.773 2.784 9.190 1.00 0.00 C ATOM 1216 OE1 GLN A 80 10.666 3.577 8.942 1.00 0.00 O ATOM 1217 NE2 GLN A 80 9.545 2.273 10.397 1.00 0.00 N ATOM 0 H GLN A 80 7.224 4.705 6.588 1.00 0.00 H new ATOM 0 HA GLN A 80 7.028 1.969 6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.519 3.966 8.544 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.909 2.431 9.130 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.730 1.204 8.158 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.194 2.542 7.126 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.779 1.613 10.535 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.136 2.541 11.184 1.00 0.00 H new ATOM 1226 N PRO A 81 4.370 3.344 7.877 1.00 0.00 N ATOM 1227 CA PRO A 81 2.985 3.100 8.243 1.00 0.00 C ATOM 1228 C PRO A 81 2.098 3.008 7.000 1.00 0.00 C ATOM 1229 O PRO A 81 1.039 2.383 7.034 1.00 0.00 O ATOM 1230 CB PRO A 81 2.611 4.256 9.156 1.00 0.00 C ATOM 1231 CG PRO A 81 3.641 5.343 8.896 1.00 0.00 C ATOM 1232 CD PRO A 81 4.792 4.719 8.124 1.00 0.00 C ATOM 0 HA PRO A 81 2.845 2.146 8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.604 4.613 8.941 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.624 3.948 10.201 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.198 6.160 8.327 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.996 5.765 9.836 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.977 5.250 7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.718 4.752 8.698 1.00 0.00 H new ATOM 1240 N TYR A 82 2.563 3.639 5.932 1.00 0.00 N ATOM 1241 CA TYR A 82 1.824 3.636 4.680 1.00 0.00 C ATOM 1242 C TYR A 82 1.904 2.267 4.000 1.00 0.00 C ATOM 1243 O TYR A 82 0.883 1.710 3.599 1.00 0.00 O ATOM 1244 CB TYR A 82 2.504 4.676 3.787 1.00 0.00 C ATOM 1245 CG TYR A 82 2.163 6.123 4.148 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.349 6.575 5.439 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.670 6.977 3.182 1.00 0.00 C ATOM 1248 CE1 TYR A 82 2.029 7.937 5.778 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.350 8.339 3.522 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.545 8.752 4.803 1.00 0.00 C ATOM 1251 OH TYR A 82 1.242 10.039 5.123 1.00 0.00 O ATOM 0 H TYR A 82 3.442 4.156 5.907 1.00 0.00 H new ATOM 0 HA TYR A 82 0.771 3.859 4.855 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.584 4.542 3.848 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.218 4.493 2.751 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.735 5.907 6.195 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.524 6.624 2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.170 8.303 6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.964 9.018 2.776 1.00 0.00 H new ATOM 0 HH TYR A 82 1.979 10.625 4.853 1.00 0.00 H new ATOM 1261 N ILE A 83 3.125 1.766 3.892 1.00 0.00 N ATOM 1262 CA ILE A 83 3.351 0.474 3.267 1.00 0.00 C ATOM 1263 C ILE A 83 2.775 -0.627 4.160 1.00 0.00 C ATOM 1264 O ILE A 83 2.257 -1.626 3.664 1.00 0.00 O ATOM 1265 CB ILE A 83 4.834 0.288 2.942 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.052 -0.942 2.058 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.673 0.231 4.220 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.168 -0.885 0.811 1.00 0.00 C ATOM 0 H ILE A 83 3.969 2.231 4.227 1.00 0.00 H new ATOM 0 HA ILE A 83 2.829 0.417 2.312 1.00 0.00 H new ATOM 0 HB ILE A 83 5.170 1.156 2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.100 -1.001 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.829 -1.846 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.723 0.098 3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.552 1.160 4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.343 -0.606 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.343 -1.771 0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.120 -0.851 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.410 0.007 0.234 1.00 0.00 H new ATOM 1280 N THR A 84 2.883 -0.406 5.462 1.00 0.00 N ATOM 1281 CA THR A 84 2.379 -1.367 6.429 1.00 0.00 C ATOM 1282 C THR A 84 0.938 -1.755 6.092 1.00 0.00 C ATOM 1283 O THR A 84 0.590 -2.935 6.107 1.00 0.00 O ATOM 1284 CB THR A 84 2.534 -0.759 7.824 1.00 0.00 C ATOM 1285 OG1 THR A 84 3.933 -0.840 8.084 1.00 0.00 O ATOM 1286 CG2 THR A 84 1.902 -1.627 8.914 1.00 0.00 C ATOM 0 H THR A 84 3.312 0.425 5.870 1.00 0.00 H new ATOM 0 HA THR A 84 2.949 -2.296 6.399 1.00 0.00 H new ATOM 0 HB THR A 84 2.081 0.232 7.841 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.309 0.064 8.136 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.040 -1.150 9.884 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.837 -1.743 8.715 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.379 -2.607 8.920 1.00 0.00 H new ATOM 1294 N VAL A 85 0.139 -0.741 5.797 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.257 -0.962 5.458 1.00 0.00 C ATOM 1296 C VAL A 85 -1.340 -1.791 4.175 1.00 0.00 C ATOM 1297 O VAL A 85 -2.142 -2.719 4.082 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.988 0.378 5.353 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.394 0.191 4.779 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -2.038 1.083 6.709 1.00 0.00 C ATOM 0 H VAL A 85 0.431 0.236 5.786 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.757 -1.529 6.244 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.428 1.013 4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.892 1.158 4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.325 -0.249 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.967 -0.470 5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.563 2.033 6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.564 0.454 7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.023 1.266 7.062 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.500 -1.427 3.217 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.468 -2.125 1.944 1.00 0.00 C ATOM 1312 C TRP A 86 -0.240 -3.612 2.225 1.00 0.00 C ATOM 1313 O TRP A 86 -0.992 -4.460 1.749 1.00 0.00 O ATOM 1314 CB TRP A 86 0.587 -1.524 1.014 1.00 0.00 C ATOM 1315 CG TRP A 86 0.087 -0.336 0.190 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.035 0.954 0.549 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.434 -0.381 -1.155 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.479 1.741 -0.462 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.773 0.903 -1.531 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.614 -1.471 -2.025 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.312 1.217 -2.784 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.153 -1.140 -3.274 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.500 0.148 -3.667 1.00 0.00 C ATOM 0 H TRP A 86 0.164 -0.657 3.298 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.416 -2.011 1.419 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.442 -1.205 1.610 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.942 -2.300 0.336 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.355 1.331 1.509 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.617 2.751 -0.430 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.357 -2.484 -1.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.569 2.230 -3.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.310 -1.941 -3.982 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.913 0.322 -4.650 1.00 0.00 H new ATOM 1334 N GLN A 87 0.802 -3.881 2.998 1.00 0.00 N ATOM 1335 CA GLN A 87 1.140 -5.250 3.349 1.00 0.00 C ATOM 1336 C GLN A 87 -0.062 -5.945 3.993 1.00 0.00 C ATOM 1337 O GLN A 87 -0.270 -7.141 3.798 1.00 0.00 O ATOM 1338 CB GLN A 87 2.359 -5.296 4.272 1.00 0.00 C ATOM 1339 CG GLN A 87 2.630 -6.722 4.753 1.00 0.00 C ATOM 1340 CD GLN A 87 2.307 -6.869 6.242 1.00 0.00 C ATOM 1341 OE1 GLN A 87 1.371 -6.283 6.761 1.00 0.00 O ATOM 1342 NE2 GLN A 87 3.132 -7.681 6.897 1.00 0.00 N ATOM 0 H GLN A 87 1.423 -3.174 3.391 1.00 0.00 H new ATOM 0 HA GLN A 87 1.398 -5.785 2.435 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.233 -4.914 3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.194 -4.644 5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.029 -7.425 4.176 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.675 -6.977 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.896 -8.140 6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.001 -7.845 7.895 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.821 -5.164 4.747 1.00 0.00 N ATOM 1352 CA ASP A 88 -1.996 -5.689 5.422 1.00 0.00 C ATOM 1353 C ASP A 88 -3.091 -5.966 4.389 1.00 0.00 C ATOM 1354 O ASP A 88 -3.821 -6.949 4.501 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.546 -4.682 6.434 1.00 0.00 C ATOM 1356 CG ASP A 88 -4.049 -4.787 6.700 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -4.812 -4.598 5.728 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -4.402 -5.055 7.869 1.00 0.00 O ATOM 0 H ASP A 88 -0.645 -4.172 4.906 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.706 -6.602 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.016 -4.811 7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.325 -3.675 6.079 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.169 -5.081 3.406 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.162 -5.218 2.354 1.00 0.00 C ATOM 1365 C LEU A 89 -4.033 -6.601 1.713 1.00 0.00 C ATOM 1366 O LEU A 89 -5.033 -7.279 1.483 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.047 -4.064 1.355 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.984 -2.877 1.590 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -6.289 -3.331 2.246 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -4.288 -1.781 2.398 1.00 0.00 C ATOM 0 H LEU A 89 -2.561 -4.267 3.316 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.168 -5.151 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.020 -3.699 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.233 -4.456 0.355 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.242 -2.448 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.937 -2.469 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.791 -4.050 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.070 -3.799 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.976 -0.949 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.981 -2.181 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.410 -1.431 1.855 1.00 0.00 H new ATOM 1382 N VAL A 90 -2.792 -6.979 1.442 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.519 -8.269 0.832 1.00 0.00 C ATOM 1384 C VAL A 90 -2.975 -9.382 1.777 1.00 0.00 C ATOM 1385 O VAL A 90 -3.741 -10.260 1.384 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.038 -8.369 0.461 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -0.722 -9.725 -0.173 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.625 -7.222 -0.464 1.00 0.00 C ATOM 0 H VAL A 90 -1.965 -6.414 1.634 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.081 -8.380 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.457 -8.284 1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.337 -9.770 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.960 -10.521 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.318 -9.852 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.432 -7.317 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.217 -7.261 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.795 -6.270 0.039 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.485 -9.308 3.006 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.833 -10.299 4.011 1.00 0.00 C ATOM 1400 C GLN A 91 -4.353 -10.413 4.139 1.00 0.00 C ATOM 1401 O GLN A 91 -4.931 -11.450 3.817 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.193 -9.961 5.359 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.700 -10.294 5.355 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.475 -11.805 5.270 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -1.392 -12.602 5.380 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.793 -12.153 5.070 1.00 0.00 N ATOM 0 H GLN A 91 -1.850 -8.578 3.329 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.441 -11.265 3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.333 -8.902 5.577 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.692 -10.518 6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.217 -9.803 4.511 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.234 -9.904 6.260 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.512 -11.434 4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.046 -13.139 5.000 1.00 0.00 H new ATOM 1415 N ASN A 92 -4.958 -9.333 4.611 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.400 -9.299 4.786 1.00 0.00 C ATOM 1417 C ASN A 92 -7.053 -8.769 3.508 1.00 0.00 C ATOM 1418 O ASN A 92 -7.632 -7.684 3.506 1.00 0.00 O ATOM 1419 CB ASN A 92 -6.794 -8.372 5.938 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.149 -8.823 7.250 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -6.409 -9.900 7.761 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.296 -7.942 7.764 1.00 0.00 N ATOM 0 H ASN A 92 -4.476 -8.475 4.878 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.736 -10.312 5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.487 -7.351 5.710 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.879 -8.362 6.047 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.813 -8.150 8.638 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.124 -7.058 7.284 1.00 0.00 H new ATOM 1429 N SER A 93 -6.937 -9.559 2.450 1.00 0.00 N ATOM 1430 CA SER A 93 -7.508 -9.182 1.169 1.00 0.00 C ATOM 1431 C SER A 93 -8.971 -8.773 1.348 1.00 0.00 C ATOM 1432 O SER A 93 -9.806 -9.592 1.729 1.00 0.00 O ATOM 1433 CB SER A 93 -7.396 -10.326 0.158 1.00 0.00 C ATOM 1434 OG SER A 93 -8.483 -11.242 0.267 1.00 0.00 O ATOM 0 H SER A 93 -6.456 -10.458 2.454 1.00 0.00 H new ATOM 0 HA SER A 93 -6.945 -8.333 0.780 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.367 -9.916 -0.852 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.457 -10.857 0.314 1.00 0.00 H new ATOM 0 HG SER A 93 -9.014 -11.027 1.062 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.245 -7.473 1.056 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.593 -6.945 1.181 1.00 0.00 C ATOM 1442 C PRO A 94 -11.478 -7.426 0.030 1.00 0.00 C ATOM 1443 O PRO A 94 -10.978 -7.931 -0.974 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.423 -5.435 1.210 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.043 -5.160 0.635 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.281 -6.475 0.602 1.00 0.00 C ATOM 0 HA PRO A 94 -11.100 -7.292 2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.197 -4.943 0.620 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.506 -5.052 2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.124 -4.741 -0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.514 -4.428 1.245 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.922 -6.699 -0.402 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.408 -6.443 1.253 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.813 -7.246 0.218 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.773 -7.656 -0.793 1.00 0.00 C ATOM 1456 C PRO A 95 -13.774 -6.683 -1.974 1.00 0.00 C ATOM 1457 O PRO A 95 -14.159 -7.049 -3.084 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.108 -7.711 -0.068 1.00 0.00 C ATOM 1459 CG PRO A 95 -14.930 -6.887 1.197 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.442 -6.651 1.394 1.00 0.00 C ATOM 0 HA PRO A 95 -13.533 -8.624 -1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.907 -7.305 -0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.381 -8.739 0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.459 -5.938 1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.350 -7.410 2.056 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.216 -5.587 1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.085 -7.117 2.312 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.338 -5.463 -1.695 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.284 -4.436 -2.721 1.00 0.00 C ATOM 1470 C TRP A 96 -12.016 -4.660 -3.548 1.00 0.00 C ATOM 1471 O TRP A 96 -11.816 -4.010 -4.573 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.354 -3.039 -2.101 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.478 -2.864 -0.859 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.790 -3.139 0.415 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.126 -2.361 -0.824 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.742 -2.851 1.265 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.698 -2.363 0.488 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.292 -1.918 -1.866 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.424 -1.933 0.880 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.023 -1.492 -1.458 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.577 -1.488 -0.142 1.00 0.00 C ATOM 0 H TRP A 96 -13.019 -5.163 -0.774 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.148 -4.505 -3.382 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.055 -2.305 -2.850 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.389 -2.822 -1.837 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.742 -3.536 0.736 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.735 -2.974 2.278 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.606 -1.907 -2.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.112 -1.944 1.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.342 -1.142 -2.220 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.581 -1.143 0.092 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.192 -5.582 -3.072 1.00 0.00 N ATOM 1493 CA ILE A 97 -9.950 -5.900 -3.754 1.00 0.00 C ATOM 1494 C ILE A 97 -10.101 -7.236 -4.485 1.00 0.00 C ATOM 1495 O ILE A 97 -9.962 -7.299 -5.705 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.776 -5.865 -2.774 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.183 -4.457 -2.678 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.719 -6.907 -3.146 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -6.940 -4.445 -1.786 1.00 0.00 C ATOM 0 H ILE A 97 -11.361 -6.119 -2.221 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.727 -5.146 -4.509 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.151 -6.125 -1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.923 -4.099 -3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.929 -3.771 -2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.896 -6.861 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.164 -7.902 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.343 -6.702 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.539 -3.433 -1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.208 -4.780 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.187 -5.113 -2.203 1.00 0.00 H new