USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 561 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 61 THR OG1 : rot -11:sc= 0.402! USER MOD Set 1.2: A 68 GLN :FLIP amide:sc=-0.00119 F(o=-1.1,f=0.4) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -107:sc= 0.217 (180deg=-0.105) USER MOD Set 2.2: A 86 TYR OH : rot 165:sc= -0.359 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.343 USER MOD Single : A 17 ASN : amide:sc= 0.416 K(o=0.42,f=-0.41) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 105:sc= 1.18 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -12.7! C(o=-15!,f=-13!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.742 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -134:sc= -4.95! (180deg=-6.56!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -159:sc= -0.0437 (180deg=-0.302) USER MOD Single : A 75 SER OG : rot -82:sc= 1.16 USER MOD Single : A 77 GLN :FLIP amide:sc= -5.48! C(o=-7.9!,f=-5.5!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 2:sc= 0.217 USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00462 USER MOD Single : A 96 THR OG1 : rot 180:sc=-0.00971 USER MOD Single : A 98 ASN : amide:sc= -0.348 K(o=-0.35,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.298 -5.177 -2.707 1.00 0.00 N ATOM 91 CA VAL A 7 -14.405 -3.941 -1.958 1.00 0.00 C ATOM 92 C VAL A 7 -13.442 -2.865 -2.468 1.00 0.00 C ATOM 93 O VAL A 7 -13.884 -1.881 -3.061 1.00 0.00 O ATOM 94 CB VAL A 7 -14.214 -4.174 -0.439 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.425 -3.677 0.320 1.00 0.00 C ATOM 96 CG2 VAL A 7 -13.975 -5.649 -0.142 1.00 0.00 C ATOM 0 HA VAL A 7 -15.418 -3.572 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.337 -3.614 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.280 -3.846 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.557 -2.611 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.311 -4.216 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.844 -5.787 0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.831 -6.232 -0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.079 -5.985 -0.663 1.00 0.00 H new ATOM 106 N PRO A 8 -12.115 -3.001 -2.244 1.00 0.00 N ATOM 107 CA PRO A 8 -11.139 -2.015 -2.676 1.00 0.00 C ATOM 108 C PRO A 8 -10.327 -2.462 -3.909 1.00 0.00 C ATOM 109 O PRO A 8 -10.889 -2.718 -4.974 1.00 0.00 O ATOM 110 CB PRO A 8 -10.272 -1.970 -1.428 1.00 0.00 C ATOM 111 CG PRO A 8 -10.136 -3.416 -1.070 1.00 0.00 C ATOM 112 CD PRO A 8 -11.423 -4.088 -1.523 1.00 0.00 C ATOM 0 HA PRO A 8 -11.568 -1.066 -2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.304 -1.509 -1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.742 -1.397 -0.629 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.271 -3.859 -1.563 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.989 -3.539 0.003 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.228 -4.944 -2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.009 -4.453 -0.679 1.00 0.00 H new ATOM 120 N LEU A 9 -9.001 -2.539 -3.750 1.00 0.00 N ATOM 121 CA LEU A 9 -8.088 -2.932 -4.819 1.00 0.00 C ATOM 122 C LEU A 9 -8.382 -4.334 -5.354 1.00 0.00 C ATOM 123 O LEU A 9 -8.394 -5.309 -4.602 1.00 0.00 O ATOM 124 CB LEU A 9 -6.648 -2.887 -4.271 1.00 0.00 C ATOM 125 CG LEU A 9 -5.488 -3.096 -5.272 1.00 0.00 C ATOM 126 CD1 LEU A 9 -5.954 -3.703 -6.578 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.762 -1.789 -5.543 1.00 0.00 C ATOM 0 H LEU A 9 -8.532 -2.328 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.219 -2.237 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.504 -1.920 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.561 -3.647 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.800 -3.801 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.101 -3.829 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.411 -4.674 -6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.686 -3.044 -7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.951 -1.963 -6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.460 -1.065 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.353 -1.400 -4.611 1.00 0.00 H new ATOM 139 N THR A 10 -8.556 -4.428 -6.671 1.00 0.00 N ATOM 140 CA THR A 10 -8.776 -5.707 -7.328 1.00 0.00 C ATOM 141 C THR A 10 -7.460 -6.192 -7.937 1.00 0.00 C ATOM 142 O THR A 10 -6.855 -5.501 -8.758 1.00 0.00 O ATOM 143 CB THR A 10 -9.840 -5.592 -8.417 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.116 -5.349 -7.852 1.00 0.00 O ATOM 145 CG2 THR A 10 -9.942 -6.836 -9.274 1.00 0.00 C ATOM 0 H THR A 10 -8.548 -3.628 -7.303 1.00 0.00 H new ATOM 0 HA THR A 10 -9.130 -6.423 -6.587 1.00 0.00 H new ATOM 0 HB THR A 10 -9.528 -4.758 -9.045 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.782 -5.277 -8.567 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.714 -6.695 -10.030 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.985 -7.021 -9.763 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.200 -7.690 -8.647 1.00 0.00 H new ATOM 153 N PHE A 11 -7.016 -7.367 -7.520 1.00 0.00 N ATOM 154 CA PHE A 11 -5.763 -7.937 -8.008 1.00 0.00 C ATOM 155 C PHE A 11 -5.983 -8.760 -9.280 1.00 0.00 C ATOM 156 O PHE A 11 -7.104 -8.866 -9.776 1.00 0.00 O ATOM 157 CB PHE A 11 -5.133 -8.798 -6.915 1.00 0.00 C ATOM 158 CG PHE A 11 -5.821 -10.100 -6.734 1.00 0.00 C ATOM 159 CD1 PHE A 11 -6.989 -10.191 -6.005 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.301 -11.227 -7.317 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.631 -11.405 -5.864 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.924 -12.440 -7.183 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.095 -12.533 -6.457 1.00 0.00 C ATOM 0 H PHE A 11 -7.505 -7.950 -6.841 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.086 -7.120 -8.259 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.086 -8.977 -7.160 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.151 -8.250 -5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.403 -9.308 -5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.388 -11.158 -7.890 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.546 -11.473 -5.294 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.501 -13.320 -7.644 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.592 -13.486 -6.353 1.00 0.00 H new ATOM 173 N THR A 12 -4.901 -9.333 -9.806 1.00 0.00 N ATOM 174 CA THR A 12 -4.975 -10.139 -11.031 1.00 0.00 C ATOM 175 C THR A 12 -5.335 -11.593 -10.718 1.00 0.00 C ATOM 176 O THR A 12 -5.860 -11.894 -9.657 1.00 0.00 O ATOM 177 CB THR A 12 -3.643 -10.079 -11.788 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.818 -10.480 -13.138 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.565 -10.953 -11.179 1.00 0.00 C ATOM 0 H THR A 12 -3.965 -9.257 -9.408 1.00 0.00 H new ATOM 0 HA THR A 12 -5.763 -9.722 -11.659 1.00 0.00 H new ATOM 0 HB THR A 12 -3.318 -9.040 -11.724 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.959 -10.434 -13.607 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.650 -10.863 -11.764 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.374 -10.634 -10.154 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.895 -11.992 -11.180 1.00 0.00 H new ATOM 187 N ASP A 13 -5.050 -12.492 -11.652 1.00 0.00 N ATOM 188 CA ASP A 13 -5.336 -13.910 -11.462 1.00 0.00 C ATOM 189 C ASP A 13 -4.137 -14.629 -10.857 1.00 0.00 C ATOM 190 O ASP A 13 -4.279 -15.469 -9.972 1.00 0.00 O ATOM 191 CB ASP A 13 -5.706 -14.555 -12.794 1.00 0.00 C ATOM 192 CG ASP A 13 -6.939 -13.931 -13.417 1.00 0.00 C ATOM 193 OD1 ASP A 13 -7.839 -13.511 -12.660 1.00 0.00 O ATOM 194 OD2 ASP A 13 -7.005 -13.863 -14.663 1.00 0.00 O ATOM 0 H ASP A 13 -4.621 -12.265 -12.549 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.177 -13.998 -10.774 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.868 -14.463 -13.484 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.879 -15.621 -12.643 1.00 0.00 H new ATOM 199 N ALA A 14 -2.959 -14.299 -11.363 1.00 0.00 N ATOM 200 CA ALA A 14 -1.724 -14.914 -10.901 1.00 0.00 C ATOM 201 C ALA A 14 -1.478 -14.638 -9.427 1.00 0.00 C ATOM 202 O ALA A 14 -1.031 -15.521 -8.695 1.00 0.00 O ATOM 203 CB ALA A 14 -0.550 -14.428 -11.735 1.00 0.00 C ATOM 0 H ALA A 14 -2.832 -13.604 -12.099 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.824 -15.993 -11.022 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.368 -14.896 -11.379 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.711 -14.694 -12.780 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.464 -13.345 -11.645 1.00 0.00 H new ATOM 209 N ALA A 15 -1.786 -13.425 -8.977 1.00 0.00 N ATOM 210 CA ALA A 15 -1.603 -13.095 -7.574 1.00 0.00 C ATOM 211 C ALA A 15 -2.337 -14.128 -6.735 1.00 0.00 C ATOM 212 O ALA A 15 -1.888 -14.512 -5.654 1.00 0.00 O ATOM 213 CB ALA A 15 -2.083 -11.681 -7.277 1.00 0.00 C ATOM 0 H ALA A 15 -2.156 -12.669 -9.554 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.543 -13.120 -7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.934 -11.461 -6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.516 -10.970 -7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.143 -11.598 -7.519 1.00 0.00 H new ATOM 219 N ALA A 16 -3.446 -14.615 -7.283 1.00 0.00 N ATOM 220 CA ALA A 16 -4.224 -15.653 -6.632 1.00 0.00 C ATOM 221 C ALA A 16 -3.456 -16.957 -6.683 1.00 0.00 C ATOM 222 O ALA A 16 -3.387 -17.699 -5.706 1.00 0.00 O ATOM 223 CB ALA A 16 -5.555 -15.832 -7.337 1.00 0.00 C ATOM 0 H ALA A 16 -3.823 -14.304 -8.178 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.405 -15.364 -5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.129 -16.613 -6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.113 -14.896 -7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.382 -16.115 -8.375 1.00 0.00 H new ATOM 229 N ASN A 17 -2.885 -17.208 -7.851 1.00 0.00 N ATOM 230 CA ASN A 17 -2.116 -18.409 -8.099 1.00 0.00 C ATOM 231 C ASN A 17 -0.960 -18.553 -7.115 1.00 0.00 C ATOM 232 O ASN A 17 -0.713 -19.641 -6.593 1.00 0.00 O ATOM 233 CB ASN A 17 -1.583 -18.395 -9.534 1.00 0.00 C ATOM 234 CG ASN A 17 -2.639 -18.747 -10.558 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.599 -19.822 -11.169 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.595 -17.849 -10.753 1.00 0.00 N ATOM 0 H ASN A 17 -2.944 -16.581 -8.653 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.777 -19.265 -7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.183 -17.406 -9.758 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.756 -19.100 -9.616 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.336 -18.032 -11.429 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.589 -16.975 -10.227 1.00 0.00 H new ATOM 243 N LYS A 18 -0.254 -17.458 -6.859 1.00 0.00 N ATOM 244 CA LYS A 18 0.869 -17.479 -5.932 1.00 0.00 C ATOM 245 C LYS A 18 0.401 -17.931 -4.554 1.00 0.00 C ATOM 246 O LYS A 18 1.155 -18.543 -3.798 1.00 0.00 O ATOM 247 CB LYS A 18 1.515 -16.089 -5.856 1.00 0.00 C ATOM 248 CG LYS A 18 2.379 -15.868 -4.623 1.00 0.00 C ATOM 249 CD LYS A 18 1.562 -15.304 -3.472 1.00 0.00 C ATOM 250 CE LYS A 18 2.451 -14.747 -2.373 1.00 0.00 C ATOM 251 NZ LYS A 18 2.985 -13.402 -2.715 1.00 0.00 N ATOM 0 H LYS A 18 -0.439 -16.547 -7.279 1.00 0.00 H new ATOM 0 HA LYS A 18 1.615 -18.187 -6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.126 -15.936 -6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.729 -15.334 -5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.834 -16.811 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.193 -15.184 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.905 -14.517 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.923 -16.086 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.884 -14.686 -1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.280 -15.432 -2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.996 -13.478 -2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.470 -13.022 -3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.863 -12.763 -1.903 1.00 0.00 H new ATOM 265 N VAL A 19 -0.850 -17.617 -4.238 1.00 0.00 N ATOM 266 CA VAL A 19 -1.434 -17.977 -2.958 1.00 0.00 C ATOM 267 C VAL A 19 -1.925 -19.414 -2.951 1.00 0.00 C ATOM 268 O VAL A 19 -1.374 -20.271 -2.263 1.00 0.00 O ATOM 269 CB VAL A 19 -2.606 -17.037 -2.621 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.226 -17.390 -1.277 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.140 -15.588 -2.644 1.00 0.00 C ATOM 0 H VAL A 19 -1.481 -17.110 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.653 -17.876 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.378 -17.165 -3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.051 -16.709 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.599 -18.414 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.473 -17.300 -0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.977 -14.933 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.348 -15.449 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.761 -15.344 -3.636 1.00 0.00 H new ATOM 281 N LYS A 20 -2.970 -19.680 -3.728 1.00 0.00 N ATOM 282 CA LYS A 20 -3.563 -21.006 -3.821 1.00 0.00 C ATOM 283 C LYS A 20 -2.541 -22.083 -4.158 1.00 0.00 C ATOM 284 O LYS A 20 -2.803 -23.276 -3.974 1.00 0.00 O ATOM 285 CB LYS A 20 -4.648 -21.023 -4.890 1.00 0.00 C ATOM 286 CG LYS A 20 -4.223 -20.398 -6.207 1.00 0.00 C ATOM 287 CD LYS A 20 -3.946 -21.446 -7.274 1.00 0.00 C ATOM 288 CE LYS A 20 -5.126 -22.392 -7.459 1.00 0.00 C ATOM 289 NZ LYS A 20 -5.081 -23.087 -8.773 1.00 0.00 N ATOM 0 H LYS A 20 -3.429 -18.980 -4.311 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.982 -21.226 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.951 -22.054 -5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.524 -20.494 -4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.004 -19.723 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.328 -19.796 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.725 -20.952 -8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.060 -22.019 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.128 -23.131 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.057 -21.831 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.901 -23.721 -8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.105 -22.384 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.205 -23.643 -8.842 1.00 0.00 H new ATOM 303 N SER A 21 -1.403 -21.679 -4.697 1.00 0.00 N ATOM 304 CA SER A 21 -0.387 -22.634 -5.102 1.00 0.00 C ATOM 305 C SER A 21 0.546 -23.028 -3.966 1.00 0.00 C ATOM 306 O SER A 21 0.839 -24.209 -3.771 1.00 0.00 O ATOM 307 CB SER A 21 0.424 -22.090 -6.278 1.00 0.00 C ATOM 308 OG SER A 21 -0.387 -21.945 -7.432 1.00 0.00 O ATOM 0 H SER A 21 -1.161 -20.702 -4.863 1.00 0.00 H new ATOM 0 HA SER A 21 -0.917 -23.536 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.857 -21.126 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.253 -22.763 -6.495 1.00 0.00 H new ATOM 0 HG SER A 21 -0.584 -20.996 -7.576 1.00 0.00 H new ATOM 314 N LEU A 22 1.026 -22.039 -3.223 1.00 0.00 N ATOM 315 CA LEU A 22 1.939 -22.318 -2.125 1.00 0.00 C ATOM 316 C LEU A 22 1.170 -22.723 -0.878 1.00 0.00 C ATOM 317 O LEU A 22 1.692 -23.434 -0.027 1.00 0.00 O ATOM 318 CB LEU A 22 2.871 -21.113 -1.870 1.00 0.00 C ATOM 319 CG LEU A 22 2.528 -20.194 -0.690 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.176 -19.544 -0.899 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.572 -20.941 0.631 1.00 0.00 C ATOM 0 H LEU A 22 0.803 -21.053 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 22 2.572 -23.161 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.881 -21.494 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.892 -20.506 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 22 3.285 -19.411 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.949 -18.896 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.194 -18.952 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.410 -20.315 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.324 -20.258 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.851 -21.758 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.573 -21.343 0.788 1.00 0.00 H new ATOM 333 N ILE A 23 -0.079 -22.282 -0.778 1.00 0.00 N ATOM 334 CA ILE A 23 -0.900 -22.626 0.360 1.00 0.00 C ATOM 335 C ILE A 23 -1.308 -24.083 0.275 1.00 0.00 C ATOM 336 O ILE A 23 -1.151 -24.844 1.226 1.00 0.00 O ATOM 337 CB ILE A 23 -2.142 -21.746 0.438 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.938 -21.828 -0.851 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.742 -20.306 0.703 1.00 0.00 C ATOM 340 CD1 ILE A 23 -4.080 -22.821 -0.800 1.00 0.00 C ATOM 0 H ILE A 23 -0.536 -21.689 -1.471 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.312 -22.460 1.263 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.766 -22.104 1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.337 -20.841 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.267 -22.101 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.636 -19.684 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.201 -20.247 1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.102 -19.952 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.603 -22.824 -1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.687 -23.817 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.774 -22.537 -0.009 1.00 0.00 H new ATOM 352 N SER A 24 -1.792 -24.471 -0.894 1.00 0.00 N ATOM 353 CA SER A 24 -2.179 -25.848 -1.132 1.00 0.00 C ATOM 354 C SER A 24 -0.972 -26.752 -0.926 1.00 0.00 C ATOM 355 O SER A 24 -1.103 -27.934 -0.638 1.00 0.00 O ATOM 356 CB SER A 24 -2.714 -26.009 -2.552 1.00 0.00 C ATOM 357 OG SER A 24 -4.113 -25.785 -2.602 1.00 0.00 O ATOM 0 H SER A 24 -1.925 -23.850 -1.692 1.00 0.00 H new ATOM 0 HA SER A 24 -2.966 -26.126 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.207 -25.309 -3.216 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.491 -27.012 -2.916 1.00 0.00 H new ATOM 0 HG SER A 24 -4.429 -25.893 -3.523 1.00 0.00 H new ATOM 363 N GLU A 25 0.207 -26.147 -1.070 1.00 0.00 N ATOM 364 CA GLU A 25 1.456 -26.857 -0.890 1.00 0.00 C ATOM 365 C GLU A 25 1.806 -26.956 0.588 1.00 0.00 C ATOM 366 O GLU A 25 2.596 -27.804 1.001 1.00 0.00 O ATOM 367 CB GLU A 25 2.581 -26.167 -1.659 1.00 0.00 C ATOM 368 CG GLU A 25 3.469 -27.127 -2.436 1.00 0.00 C ATOM 369 CD GLU A 25 4.870 -27.219 -1.859 1.00 0.00 C ATOM 370 OE1 GLU A 25 5.670 -26.283 -2.090 1.00 0.00 O ATOM 371 OE2 GLU A 25 5.169 -28.213 -1.173 1.00 0.00 O ATOM 0 H GLU A 25 0.315 -25.162 -1.312 1.00 0.00 H new ATOM 0 HA GLU A 25 1.337 -27.866 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.147 -25.446 -2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.196 -25.604 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.014 -28.118 -2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.528 -26.802 -3.475 1.00 0.00 H new ATOM 378 N GLU A 26 1.206 -26.081 1.394 1.00 0.00 N ATOM 379 CA GLU A 26 1.451 -26.083 2.820 1.00 0.00 C ATOM 380 C GLU A 26 0.621 -27.163 3.490 1.00 0.00 C ATOM 381 O GLU A 26 0.896 -27.569 4.622 1.00 0.00 O ATOM 382 CB GLU A 26 1.140 -24.720 3.431 1.00 0.00 C ATOM 383 CG GLU A 26 1.988 -23.593 2.862 1.00 0.00 C ATOM 384 CD GLU A 26 3.088 -23.161 3.814 1.00 0.00 C ATOM 385 OE1 GLU A 26 4.151 -23.804 3.826 1.00 0.00 O ATOM 386 OE2 GLU A 26 2.881 -22.167 4.538 1.00 0.00 O ATOM 0 H GLU A 26 0.550 -25.367 1.077 1.00 0.00 H new ATOM 0 HA GLU A 26 2.508 -26.293 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.087 -24.489 3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.293 -24.770 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.432 -23.916 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.349 -22.739 2.637 1.00 0.00 H new ATOM 393 N GLU A 27 -0.412 -27.608 2.785 1.00 0.00 N ATOM 394 CA GLU A 27 -1.318 -28.625 3.291 1.00 0.00 C ATOM 395 C GLU A 27 -2.329 -27.982 4.225 1.00 0.00 C ATOM 396 O GLU A 27 -3.063 -28.675 4.932 1.00 0.00 O ATOM 397 CB GLU A 27 -0.554 -29.728 4.021 1.00 0.00 C ATOM 398 CG GLU A 27 -1.302 -31.050 4.081 1.00 0.00 C ATOM 399 CD GLU A 27 -0.372 -32.248 4.128 1.00 0.00 C ATOM 400 OE1 GLU A 27 0.590 -32.226 4.917 1.00 0.00 O ATOM 401 OE2 GLU A 27 -0.611 -33.220 3.369 1.00 0.00 O ATOM 0 H GLU A 27 -0.643 -27.274 1.849 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.837 -29.080 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.404 -29.884 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.337 -29.397 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.945 -31.059 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.953 -31.134 3.211 1.00 0.00 H new ATOM 408 N ASN A 28 -2.372 -26.643 4.225 1.00 0.00 N ATOM 409 CA ASN A 28 -3.316 -25.931 5.071 1.00 0.00 C ATOM 410 C ASN A 28 -4.718 -26.409 4.771 1.00 0.00 C ATOM 411 O ASN A 28 -5.345 -27.077 5.588 1.00 0.00 O ATOM 412 CB ASN A 28 -3.262 -24.413 4.863 1.00 0.00 C ATOM 413 CG ASN A 28 -1.924 -23.906 4.394 1.00 0.00 C ATOM 414 OD1 ASN A 28 -1.875 -23.468 3.145 1.00 0.00 O flip ATOM 415 ND2 ASN A 28 -0.945 -23.909 5.148 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.771 -26.046 3.656 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.041 -26.139 6.105 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.022 -24.129 4.135 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.518 -23.919 5.800 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.037 -24.258 6.102 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.045 -23.563 4.816 1.00 0.00 H new ATOM 422 N THR A 29 -5.209 -26.034 3.585 1.00 0.00 N ATOM 423 CA THR A 29 -6.557 -26.419 3.165 1.00 0.00 C ATOM 424 C THR A 29 -7.083 -25.509 2.054 1.00 0.00 C ATOM 425 O THR A 29 -7.667 -25.984 1.079 1.00 0.00 O ATOM 426 CB THR A 29 -7.520 -26.327 4.353 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.865 -26.274 3.915 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.267 -25.101 5.214 1.00 0.00 C ATOM 0 H THR A 29 -4.698 -25.470 2.906 1.00 0.00 H new ATOM 0 HA THR A 29 -6.500 -27.441 2.791 1.00 0.00 H new ATOM 0 HB THR A 29 -7.343 -27.224 4.946 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.460 -26.217 4.692 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.977 -25.085 6.041 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.251 -25.136 5.608 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.391 -24.201 4.611 1.00 0.00 H new ATOM 436 N ASP A 30 -6.900 -24.204 2.225 1.00 0.00 N ATOM 437 CA ASP A 30 -7.382 -23.216 1.265 1.00 0.00 C ATOM 438 C ASP A 30 -7.192 -21.840 1.856 1.00 0.00 C ATOM 439 O ASP A 30 -8.148 -21.153 2.215 1.00 0.00 O ATOM 440 CB ASP A 30 -8.858 -23.450 0.932 1.00 0.00 C ATOM 441 CG ASP A 30 -9.046 -24.138 -0.408 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.680 -23.533 -1.439 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.559 -25.280 -0.428 1.00 0.00 O ATOM 0 H ASP A 30 -6.416 -23.802 3.028 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.816 -23.307 0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.313 -24.056 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.382 -22.494 0.923 1.00 0.00 H new ATOM 448 N LEU A 31 -5.935 -21.477 1.991 1.00 0.00 N ATOM 449 CA LEU A 31 -5.543 -20.212 2.582 1.00 0.00 C ATOM 450 C LEU A 31 -6.109 -19.017 1.846 1.00 0.00 C ATOM 451 O LEU A 31 -6.382 -19.059 0.650 1.00 0.00 O ATOM 452 CB LEU A 31 -4.029 -20.147 2.601 1.00 0.00 C ATOM 453 CG LEU A 31 -3.409 -20.091 3.986 1.00 0.00 C ATOM 454 CD1 LEU A 31 -4.033 -18.969 4.784 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.592 -21.418 4.698 1.00 0.00 C ATOM 0 H LEU A 31 -5.149 -22.054 1.692 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.950 -20.166 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.636 -21.019 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.710 -19.268 2.040 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.340 -19.899 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.584 -18.935 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.861 -18.021 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.105 -19.141 4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.143 -21.364 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.656 -21.636 4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.109 -22.209 4.124 1.00 0.00 H new ATOM 467 N LYS A 32 -6.255 -17.935 2.597 1.00 0.00 N ATOM 468 CA LYS A 32 -6.762 -16.680 2.074 1.00 0.00 C ATOM 469 C LYS A 32 -5.678 -15.616 2.170 1.00 0.00 C ATOM 470 O LYS A 32 -5.142 -15.365 3.249 1.00 0.00 O ATOM 471 CB LYS A 32 -8.001 -16.246 2.862 1.00 0.00 C ATOM 472 CG LYS A 32 -9.014 -17.361 3.067 1.00 0.00 C ATOM 473 CD LYS A 32 -10.041 -16.995 4.125 1.00 0.00 C ATOM 474 CE LYS A 32 -10.804 -15.739 3.742 1.00 0.00 C ATOM 475 NZ LYS A 32 -11.567 -15.184 4.895 1.00 0.00 N ATOM 0 H LYS A 32 -6.023 -17.905 3.590 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.043 -16.811 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.688 -15.867 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.483 -15.420 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.520 -17.571 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.497 -18.274 3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.740 -17.821 4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.542 -16.842 5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.106 -14.988 3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.491 -15.965 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.075 -14.327 4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.251 -15.892 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.909 -14.945 5.664 1.00 0.00 H new ATOM 489 N LEU A 33 -5.344 -15.002 1.043 1.00 0.00 N ATOM 490 CA LEU A 33 -4.310 -13.985 1.017 1.00 0.00 C ATOM 491 C LEU A 33 -4.659 -12.828 1.944 1.00 0.00 C ATOM 492 O LEU A 33 -5.827 -12.468 2.095 1.00 0.00 O ATOM 493 CB LEU A 33 -4.123 -13.476 -0.415 1.00 0.00 C ATOM 494 CG LEU A 33 -2.821 -12.718 -0.685 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.882 -11.317 -0.097 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.622 -13.485 -0.143 1.00 0.00 C ATOM 0 H LEU A 33 -5.775 -15.192 0.138 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.378 -14.429 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.173 -14.328 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.960 -12.823 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.699 -12.627 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.946 -10.796 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.709 -10.768 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.035 -11.381 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.709 -12.925 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.732 -13.619 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.565 -14.460 -0.626 1.00 0.00 H new ATOM 508 N ARG A 34 -3.634 -12.240 2.550 1.00 0.00 N ATOM 509 CA ARG A 34 -3.821 -11.112 3.450 1.00 0.00 C ATOM 510 C ARG A 34 -2.729 -10.078 3.223 1.00 0.00 C ATOM 511 O ARG A 34 -1.612 -10.207 3.720 1.00 0.00 O ATOM 512 CB ARG A 34 -3.829 -11.575 4.907 1.00 0.00 C ATOM 513 CG ARG A 34 -3.978 -10.439 5.908 1.00 0.00 C ATOM 514 CD ARG A 34 -2.633 -10.016 6.481 1.00 0.00 C ATOM 515 NE ARG A 34 -2.504 -10.371 7.892 1.00 0.00 N ATOM 516 CZ ARG A 34 -1.403 -10.164 8.606 1.00 0.00 C ATOM 517 NH1 ARG A 34 -0.333 -9.608 8.052 1.00 0.00 N ATOM 518 NH2 ARG A 34 -1.370 -10.517 9.883 1.00 0.00 N ATOM 0 H ARG A 34 -2.663 -12.528 2.433 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.787 -10.655 3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.645 -12.283 5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.903 -12.111 5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.452 -9.586 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.637 -10.751 6.718 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.832 -10.489 5.913 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.512 -8.939 6.366 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.304 -10.802 8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.351 -9.335 7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.507 -9.453 8.609 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.188 -10.946 10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.526 -10.359 10.434 1.00 0.00 H new ATOM 532 N VAL A 35 -3.058 -9.067 2.438 1.00 0.00 N ATOM 533 CA VAL A 35 -2.110 -8.018 2.097 1.00 0.00 C ATOM 534 C VAL A 35 -1.832 -7.063 3.245 1.00 0.00 C ATOM 535 O VAL A 35 -2.661 -6.857 4.132 1.00 0.00 O ATOM 536 CB VAL A 35 -2.618 -7.185 0.914 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.519 -6.286 0.376 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.159 -8.086 -0.172 1.00 0.00 C ATOM 0 H VAL A 35 -3.982 -8.949 2.021 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.186 -8.538 1.844 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.430 -6.548 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.902 -5.705 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.184 -5.610 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.681 -6.897 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.515 -7.479 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.369 -8.751 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.984 -8.679 0.224 1.00 0.00 H new ATOM 548 N TYR A 36 -0.656 -6.457 3.177 1.00 0.00 N ATOM 549 CA TYR A 36 -0.214 -5.474 4.154 1.00 0.00 C ATOM 550 C TYR A 36 0.536 -4.366 3.428 1.00 0.00 C ATOM 551 O TYR A 36 0.671 -4.403 2.206 1.00 0.00 O ATOM 552 CB TYR A 36 0.676 -6.107 5.230 1.00 0.00 C ATOM 553 CG TYR A 36 1.353 -7.386 4.797 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.614 -8.539 4.574 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.728 -7.439 4.612 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.226 -9.711 4.177 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.348 -8.608 4.216 1.00 0.00 C ATOM 558 CZ TYR A 36 2.594 -9.742 3.999 1.00 0.00 C ATOM 559 OH TYR A 36 3.208 -10.909 3.606 1.00 0.00 O ATOM 0 H TYR A 36 0.023 -6.635 2.437 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.088 -5.064 4.661 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.439 -5.387 5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.071 -6.310 6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.457 -8.519 4.713 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.322 -6.553 4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.637 -10.600 4.006 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.419 -8.634 4.077 1.00 0.00 H new ATOM 0 HH TYR A 36 4.173 -10.760 3.526 1.00 0.00 H new ATOM 569 N ILE A 37 1.017 -3.380 4.167 1.00 0.00 N ATOM 570 CA ILE A 37 1.738 -2.274 3.555 1.00 0.00 C ATOM 571 C ILE A 37 3.227 -2.592 3.419 1.00 0.00 C ATOM 572 O ILE A 37 3.942 -2.725 4.411 1.00 0.00 O ATOM 573 CB ILE A 37 1.536 -0.968 4.354 1.00 0.00 C ATOM 574 CG1 ILE A 37 0.127 -0.426 4.115 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.573 0.075 3.966 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.172 -0.148 2.658 1.00 0.00 C ATOM 0 H ILE A 37 0.923 -3.321 5.181 1.00 0.00 H new ATOM 0 HA ILE A 37 1.328 -2.130 2.555 1.00 0.00 H new ATOM 0 HB ILE A 37 1.661 -1.190 5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.600 -1.143 4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.002 0.493 4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.408 0.985 4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.571 -0.310 4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.484 0.299 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.188 0.234 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.532 0.592 2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.075 -1.070 2.084 1.00 0.00 H new ATOM 672 N GLN A 46 3.167 -1.889 -3.994 1.00 0.00 N ATOM 673 CA GLN A 46 3.481 -3.304 -3.824 1.00 0.00 C ATOM 674 C GLN A 46 2.543 -3.976 -2.831 1.00 0.00 C ATOM 675 O GLN A 46 1.623 -4.691 -3.222 1.00 0.00 O ATOM 676 CB GLN A 46 4.927 -3.476 -3.370 1.00 0.00 C ATOM 677 CG GLN A 46 5.845 -3.939 -4.478 1.00 0.00 C ATOM 678 CD GLN A 46 7.283 -4.058 -4.024 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.852 -5.149 -3.990 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.877 -2.925 -3.672 1.00 0.00 N ATOM 0 HA GLN A 46 3.345 -3.786 -4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.293 -2.528 -2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.962 -4.196 -2.553 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.503 -4.905 -4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.787 -3.238 -5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.364 -2.045 -3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.847 -2.934 -3.356 1.00 0.00 H new ATOM 689 N TYR A 47 2.788 -3.751 -1.544 1.00 0.00 N ATOM 690 CA TYR A 47 1.971 -4.346 -0.491 1.00 0.00 C ATOM 691 C TYR A 47 2.303 -5.823 -0.319 1.00 0.00 C ATOM 692 O TYR A 47 2.090 -6.632 -1.222 1.00 0.00 O ATOM 693 CB TYR A 47 0.487 -4.158 -0.797 1.00 0.00 C ATOM 694 CG TYR A 47 0.158 -2.767 -1.280 1.00 0.00 C ATOM 695 CD1 TYR A 47 0.127 -1.700 -0.393 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.110 -2.518 -2.619 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.164 -0.422 -0.825 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.404 -1.242 -3.060 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.430 -0.197 -2.158 1.00 0.00 C ATOM 700 OH TYR A 47 -0.717 1.076 -2.590 1.00 0.00 O ATOM 0 H TYR A 47 3.547 -3.160 -1.204 1.00 0.00 H new ATOM 0 HA TYR A 47 2.196 -3.838 0.447 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.183 -4.881 -1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.094 -4.372 0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.334 -1.873 0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.088 -3.334 -3.327 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.183 0.397 -0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.612 -1.063 -4.104 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.880 1.065 -3.556 1.00 0.00 H new ATOM 710 N GLY A 48 2.842 -6.159 0.847 1.00 0.00 N ATOM 711 CA GLY A 48 3.219 -7.532 1.131 1.00 0.00 C ATOM 712 C GLY A 48 2.029 -8.462 1.270 1.00 0.00 C ATOM 713 O GLY A 48 1.053 -8.140 1.947 1.00 0.00 O ATOM 0 H GLY A 48 3.026 -5.502 1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.866 -7.897 0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.802 -7.559 2.051 1.00 0.00 H new ATOM 717 N PHE A 49 2.110 -9.613 0.611 1.00 0.00 N ATOM 718 CA PHE A 49 1.039 -10.601 0.639 1.00 0.00 C ATOM 719 C PHE A 49 1.383 -11.804 1.514 1.00 0.00 C ATOM 720 O PHE A 49 2.473 -12.368 1.418 1.00 0.00 O ATOM 721 CB PHE A 49 0.756 -11.088 -0.778 1.00 0.00 C ATOM 722 CG PHE A 49 -0.176 -10.200 -1.537 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.091 -8.826 -1.414 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.143 -10.741 -2.361 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.955 -8.004 -2.102 1.00 0.00 C ATOM 726 CE2 PHE A 49 -2.017 -9.928 -3.051 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.924 -8.554 -2.922 1.00 0.00 C ATOM 0 H PHE A 49 2.914 -9.886 0.046 1.00 0.00 H new ATOM 0 HA PHE A 49 0.161 -10.114 1.064 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.697 -11.164 -1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.333 -12.091 -0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.661 -8.393 -0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.216 -11.813 -2.466 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.876 -6.932 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.772 -10.362 -3.690 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.606 -7.912 -3.460 1.00 0.00 H new ATOM 737 N THR A 50 0.423 -12.211 2.339 1.00 0.00 N ATOM 738 CA THR A 50 0.591 -13.376 3.208 1.00 0.00 C ATOM 739 C THR A 50 -0.622 -14.292 3.077 1.00 0.00 C ATOM 740 O THR A 50 -1.646 -13.897 2.523 1.00 0.00 O ATOM 741 CB THR A 50 0.778 -12.959 4.669 1.00 0.00 C ATOM 742 OG1 THR A 50 1.303 -14.030 5.430 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.508 -12.515 5.326 1.00 0.00 C ATOM 0 H THR A 50 -0.483 -11.751 2.426 1.00 0.00 H new ATOM 0 HA THR A 50 1.489 -13.910 2.895 1.00 0.00 H new ATOM 0 HB THR A 50 1.468 -12.116 4.648 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.417 -13.745 6.361 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.310 -12.232 6.360 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.915 -11.659 4.787 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.228 -13.333 5.305 1.00 0.00 H new ATOM 751 N PHE A 51 -0.512 -15.512 3.582 1.00 0.00 N ATOM 752 CA PHE A 51 -1.607 -16.464 3.503 1.00 0.00 C ATOM 753 C PHE A 51 -2.235 -16.651 4.874 1.00 0.00 C ATOM 754 O PHE A 51 -1.716 -17.372 5.725 1.00 0.00 O ATOM 755 CB PHE A 51 -1.087 -17.773 2.906 1.00 0.00 C ATOM 756 CG PHE A 51 -0.076 -17.505 1.830 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.480 -17.014 0.600 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.275 -17.685 2.067 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.447 -16.715 -0.379 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.209 -17.381 1.096 1.00 0.00 C ATOM 761 CZ PHE A 51 1.796 -16.895 -0.128 1.00 0.00 C ATOM 0 H PHE A 51 0.323 -15.864 4.050 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.394 -16.090 2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.637 -18.382 3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.918 -18.346 2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.531 -16.863 0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.603 -18.068 3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.120 -16.342 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.261 -17.523 1.294 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.524 -16.656 -0.889 1.00 0.00 H new ATOM 771 N ASP A 52 -3.345 -15.951 5.077 1.00 0.00 N ATOM 772 CA ASP A 52 -4.065 -15.973 6.346 1.00 0.00 C ATOM 773 C ASP A 52 -5.487 -16.515 6.177 1.00 0.00 C ATOM 774 O ASP A 52 -6.364 -15.837 5.642 1.00 0.00 O ATOM 775 CB ASP A 52 -4.095 -14.556 6.930 1.00 0.00 C ATOM 776 CG ASP A 52 -5.058 -14.407 8.088 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.281 -14.509 7.864 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.591 -14.188 9.219 1.00 0.00 O ATOM 0 H ASP A 52 -3.771 -15.353 4.369 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.545 -16.643 7.031 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.093 -14.286 7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.370 -13.852 6.144 1.00 0.00 H new ATOM 783 N GLU A 53 -5.695 -17.746 6.630 1.00 0.00 N ATOM 784 CA GLU A 53 -6.996 -18.406 6.530 1.00 0.00 C ATOM 785 C GLU A 53 -7.966 -17.955 7.622 1.00 0.00 C ATOM 786 O GLU A 53 -9.181 -18.074 7.462 1.00 0.00 O ATOM 787 CB GLU A 53 -6.819 -19.924 6.615 1.00 0.00 C ATOM 788 CG GLU A 53 -7.414 -20.670 5.436 1.00 0.00 C ATOM 789 CD GLU A 53 -8.614 -21.504 5.823 1.00 0.00 C ATOM 790 OE1 GLU A 53 -8.418 -22.591 6.404 1.00 0.00 O ATOM 791 OE2 GLU A 53 -9.752 -21.085 5.535 1.00 0.00 O ATOM 0 H GLU A 53 -4.973 -18.313 7.074 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.422 -18.124 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.756 -20.155 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.281 -20.285 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.706 -19.954 4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.653 -21.316 4.998 1.00 0.00 H new ATOM 881 N LEU A 60 -10.841 -5.859 5.504 1.00 0.00 N ATOM 882 CA LEU A 60 -11.705 -6.059 4.345 1.00 0.00 C ATOM 883 C LEU A 60 -11.262 -7.298 3.582 1.00 0.00 C ATOM 884 O LEU A 60 -10.079 -7.623 3.565 1.00 0.00 O ATOM 885 CB LEU A 60 -11.711 -4.827 3.435 1.00 0.00 C ATOM 886 CG LEU A 60 -11.904 -3.479 4.142 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.684 -2.523 3.254 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.619 -3.657 5.480 1.00 0.00 C ATOM 0 HA LEU A 60 -12.727 -6.206 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.769 -4.798 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.505 -4.947 2.697 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.918 -3.057 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.813 -1.571 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.137 -2.362 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.662 -2.950 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.742 -2.686 5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.598 -4.106 5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.028 -4.307 6.125 1.00 0.00 H new ATOM 900 N THR A 61 -12.212 -8.013 2.989 1.00 0.00 N ATOM 901 CA THR A 61 -11.880 -9.238 2.275 1.00 0.00 C ATOM 902 C THR A 61 -12.485 -9.303 0.872 1.00 0.00 C ATOM 903 O THR A 61 -13.700 -9.177 0.694 1.00 0.00 O ATOM 904 CB THR A 61 -12.316 -10.456 3.093 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.672 -10.784 2.827 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.187 -10.253 4.589 1.00 0.00 C ATOM 0 H THR A 61 -13.203 -7.770 2.988 1.00 0.00 H new ATOM 0 HA THR A 61 -10.798 -9.241 2.147 1.00 0.00 H new ATOM 0 HB THR A 61 -11.644 -11.259 2.788 1.00 0.00 H new ATOM 0 HG1 THR A 61 -14.089 -10.061 2.313 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.513 -11.155 5.108 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.147 -10.046 4.840 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.809 -9.412 4.897 1.00 0.00 H new ATOM 914 N ILE A 62 -11.619 -9.539 -0.101 1.00 0.00 N ATOM 915 CA ILE A 62 -12.004 -9.673 -1.500 1.00 0.00 C ATOM 916 C ILE A 62 -11.678 -11.089 -1.972 1.00 0.00 C ATOM 917 O ILE A 62 -10.550 -11.541 -1.827 1.00 0.00 O ATOM 918 CB ILE A 62 -11.252 -8.667 -2.406 1.00 0.00 C ATOM 919 CG1 ILE A 62 -10.031 -8.076 -1.686 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.189 -7.565 -2.864 1.00 0.00 C ATOM 921 CD1 ILE A 62 -10.380 -7.081 -0.599 1.00 0.00 C ATOM 0 H ILE A 62 -10.617 -9.644 0.059 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.072 -9.468 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.893 -9.205 -3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.451 -8.889 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.390 -7.587 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.645 -6.866 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.015 -8.000 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.581 -7.036 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.465 -6.709 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.933 -6.247 -1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.994 -7.569 0.157 1.00 0.00 H new ATOM 933 N GLU A 63 -12.654 -11.796 -2.526 1.00 0.00 N ATOM 934 CA GLU A 63 -12.413 -13.161 -2.988 1.00 0.00 C ATOM 935 C GLU A 63 -11.320 -13.191 -4.051 1.00 0.00 C ATOM 936 O GLU A 63 -11.101 -12.208 -4.758 1.00 0.00 O ATOM 937 CB GLU A 63 -13.696 -13.773 -3.536 1.00 0.00 C ATOM 938 CG GLU A 63 -13.653 -15.289 -3.637 1.00 0.00 C ATOM 939 CD GLU A 63 -14.733 -15.844 -4.545 1.00 0.00 C ATOM 940 OE1 GLU A 63 -14.858 -15.349 -5.686 1.00 0.00 O ATOM 941 OE2 GLU A 63 -15.453 -16.759 -4.111 1.00 0.00 O ATOM 0 H GLU A 63 -13.606 -11.457 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.079 -13.752 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.529 -13.484 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.894 -13.357 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.676 -15.597 -4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.764 -15.719 -2.642 1.00 0.00 H new ATOM 948 N LYS A 64 -10.627 -14.323 -4.151 1.00 0.00 N ATOM 949 CA LYS A 64 -9.548 -14.471 -5.119 1.00 0.00 C ATOM 950 C LYS A 64 -9.873 -15.539 -6.157 1.00 0.00 C ATOM 951 O LYS A 64 -10.843 -16.280 -6.020 1.00 0.00 O ATOM 952 CB LYS A 64 -8.242 -14.801 -4.393 1.00 0.00 C ATOM 953 CG LYS A 64 -7.843 -13.722 -3.400 1.00 0.00 C ATOM 954 CD LYS A 64 -6.450 -13.936 -2.823 1.00 0.00 C ATOM 955 CE LYS A 64 -5.382 -13.912 -3.900 1.00 0.00 C ATOM 956 NZ LYS A 64 -4.210 -13.090 -3.499 1.00 0.00 N ATOM 0 H LYS A 64 -10.794 -15.148 -3.575 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.432 -13.526 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.350 -15.751 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.445 -14.930 -5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.882 -12.750 -3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.568 -13.697 -2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.240 -13.161 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.417 -14.892 -2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.056 -14.930 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.805 -13.515 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.937 -12.468 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.458 -12.512 -2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.414 -13.715 -3.259 1.00 0.00 H new ATOM 970 N SER A 65 -9.053 -15.592 -7.199 1.00 0.00 N ATOM 971 CA SER A 65 -9.234 -16.547 -8.287 1.00 0.00 C ATOM 972 C SER A 65 -9.453 -17.961 -7.769 1.00 0.00 C ATOM 973 O SER A 65 -10.289 -18.697 -8.290 1.00 0.00 O ATOM 974 CB SER A 65 -8.015 -16.518 -9.206 1.00 0.00 C ATOM 975 OG SER A 65 -8.403 -16.461 -10.569 1.00 0.00 O ATOM 0 H SER A 65 -8.247 -14.978 -7.314 1.00 0.00 H new ATOM 0 HA SER A 65 -10.126 -16.254 -8.842 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.395 -15.655 -8.965 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.406 -17.406 -9.035 1.00 0.00 H new ATOM 0 HG SER A 65 -7.604 -16.442 -11.136 1.00 0.00 H new ATOM 981 N GLY A 66 -8.689 -18.340 -6.755 1.00 0.00 N ATOM 982 CA GLY A 66 -8.811 -19.680 -6.202 1.00 0.00 C ATOM 983 C GLY A 66 -8.868 -19.688 -4.685 1.00 0.00 C ATOM 984 O GLY A 66 -8.818 -20.754 -4.068 1.00 0.00 O ATOM 0 H GLY A 66 -7.989 -17.750 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.711 -20.151 -6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.965 -20.283 -6.532 1.00 0.00 H new ATOM 988 N VAL A 67 -8.969 -18.510 -4.085 1.00 0.00 N ATOM 989 CA VAL A 67 -9.026 -18.389 -2.631 1.00 0.00 C ATOM 990 C VAL A 67 -9.742 -17.102 -2.221 1.00 0.00 C ATOM 991 O VAL A 67 -10.635 -16.631 -2.926 1.00 0.00 O ATOM 992 CB VAL A 67 -7.607 -18.431 -2.022 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.858 -19.670 -2.494 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.834 -17.180 -2.380 1.00 0.00 C ATOM 0 H VAL A 67 -9.013 -17.621 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.593 -19.236 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.704 -18.477 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.861 -19.682 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.401 -20.563 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.775 -19.653 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.837 -17.230 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.750 -17.102 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.357 -16.306 -1.993 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.344 -16.523 -1.085 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.950 -15.285 -0.607 1.00 0.00 C ATOM 1006 C GLN A 68 -8.878 -14.283 -0.180 1.00 0.00 C ATOM 1007 O GLN A 68 -7.915 -14.640 0.496 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.894 -15.578 0.563 1.00 0.00 C ATOM 1009 CG GLN A 68 -12.363 -15.380 0.224 1.00 0.00 C ATOM 1010 CD GLN A 68 -12.893 -14.044 0.699 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.073 -13.009 0.599 1.00 0.00 O flip ATOM 1012 NE2 GLN A 68 -14.031 -13.944 1.153 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.608 -16.893 -0.484 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.522 -14.846 -1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.741 -16.605 0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.633 -14.931 1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.497 -15.458 -0.855 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.948 -16.181 0.676 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.631 -14.767 1.212 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.376 -13.038 1.470 1.00 0.00 H new ATOM 1021 N LEU A 69 -9.049 -13.027 -0.583 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.097 -11.975 -0.239 1.00 0.00 C ATOM 1023 C LEU A 69 -8.632 -11.112 0.897 1.00 0.00 C ATOM 1024 O LEU A 69 -9.796 -10.729 0.897 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.801 -11.091 -1.457 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.885 -9.888 -1.205 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.815 -10.209 -0.172 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.237 -9.451 -2.506 1.00 0.00 C ATOM 0 H LEU A 69 -9.838 -12.713 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.174 -12.456 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.349 -11.712 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.748 -10.725 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.496 -9.076 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.184 -9.334 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.290 -10.484 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.204 -11.039 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.587 -8.596 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.647 -10.273 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.010 -9.170 -3.221 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.778 -10.812 1.864 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.172 -9.988 3.001 1.00 0.00 C ATOM 1042 C VAL A 70 -7.037 -9.033 3.372 1.00 0.00 C ATOM 1043 O VAL A 70 -5.976 -9.458 3.820 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.598 -10.867 4.212 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -9.010 -12.253 3.741 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.496 -10.981 5.258 1.00 0.00 C ATOM 0 H VAL A 70 -6.808 -11.126 1.886 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.041 -9.394 2.717 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.449 -10.374 4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.305 -12.856 4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.850 -12.168 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.171 -12.729 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.841 -11.604 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.612 -11.432 4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.246 -9.988 5.633 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.249 -7.738 3.160 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.212 -6.754 3.457 1.00 0.00 C ATOM 1058 C ILE A 71 -6.574 -5.883 4.653 1.00 0.00 C ATOM 1059 O ILE A 71 -7.744 -5.755 5.020 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.889 -5.864 2.230 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -6.887 -4.714 2.095 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -5.873 -6.701 0.960 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.314 -5.171 1.899 1.00 0.00 C ATOM 0 H ILE A 71 -8.116 -7.349 2.789 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.319 -7.324 3.711 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.900 -5.431 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.833 -4.091 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.596 -4.088 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.645 -6.063 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.113 -7.478 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.850 -7.163 0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -8.966 -4.302 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.383 -5.770 0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.624 -5.772 2.754 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.549 -5.303 5.264 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.730 -4.455 6.439 1.00 0.00 C ATOM 1077 C ASP A 72 -6.110 -3.020 6.066 1.00 0.00 C ATOM 1078 O ASP A 72 -5.649 -2.482 5.060 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.454 -4.449 7.283 1.00 0.00 C ATOM 1080 CG ASP A 72 -3.249 -3.963 6.502 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -3.182 -4.233 5.283 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -2.369 -3.315 7.108 1.00 0.00 O ATOM 0 H ASP A 72 -4.579 -5.404 4.965 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.554 -4.874 7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.601 -3.811 8.154 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.262 -5.456 7.654 1.00 0.00 H new ATOM 1087 N PRO A 73 -6.968 -2.388 6.891 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.433 -1.013 6.679 1.00 0.00 C ATOM 1089 C PRO A 73 -6.313 -0.061 6.271 1.00 0.00 C ATOM 1090 O PRO A 73 -6.512 0.829 5.448 1.00 0.00 O ATOM 1091 CB PRO A 73 -7.980 -0.626 8.043 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.476 -1.908 8.622 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.558 -2.981 8.102 1.00 0.00 C ATOM 0 HA PRO A 73 -8.158 -0.952 5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.207 -0.180 8.669 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.782 0.107 7.956 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.461 -1.876 9.711 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.507 -2.098 8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.792 -3.240 8.833 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.103 -3.897 7.873 1.00 0.00 H new ATOM 1101 N MET A 74 -5.134 -0.250 6.848 1.00 0.00 N ATOM 1102 CA MET A 74 -3.998 0.598 6.528 1.00 0.00 C ATOM 1103 C MET A 74 -3.719 0.536 5.030 1.00 0.00 C ATOM 1104 O MET A 74 -3.547 1.555 4.365 1.00 0.00 O ATOM 1105 CB MET A 74 -2.774 0.171 7.359 1.00 0.00 C ATOM 1106 CG MET A 74 -1.436 0.292 6.644 1.00 0.00 C ATOM 1107 SD MET A 74 -0.087 0.699 7.769 1.00 0.00 S ATOM 1108 CE MET A 74 -0.466 2.407 8.149 1.00 0.00 C ATOM 0 H MET A 74 -4.942 -0.979 7.535 1.00 0.00 H new ATOM 0 HA MET A 74 -4.223 1.633 6.783 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.740 0.776 8.265 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.909 -0.864 7.671 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.212 -0.647 6.138 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.507 1.060 5.874 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.432 2.907 8.511 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.824 2.909 7.250 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.238 2.446 8.918 1.00 0.00 H new ATOM 1118 N SER A 75 -3.711 -0.664 4.494 1.00 0.00 N ATOM 1119 CA SER A 75 -3.490 -0.835 3.072 1.00 0.00 C ATOM 1120 C SER A 75 -4.742 -0.421 2.305 1.00 0.00 C ATOM 1121 O SER A 75 -4.661 0.094 1.191 1.00 0.00 O ATOM 1122 CB SER A 75 -3.135 -2.289 2.754 1.00 0.00 C ATOM 1123 OG SER A 75 -4.205 -3.159 3.085 1.00 0.00 O ATOM 0 H SER A 75 -3.853 -1.530 5.014 1.00 0.00 H new ATOM 0 HA SER A 75 -2.655 -0.203 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.898 -2.386 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.242 -2.578 3.308 1.00 0.00 H new ATOM 0 HG SER A 75 -4.182 -3.355 4.045 1.00 0.00 H new ATOM 1129 N LEU A 76 -5.903 -0.652 2.918 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.188 -0.324 2.308 1.00 0.00 C ATOM 1131 C LEU A 76 -7.176 1.060 1.669 1.00 0.00 C ATOM 1132 O LEU A 76 -7.648 1.235 0.551 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.299 -0.435 3.355 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.424 0.598 3.269 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.624 0.106 4.043 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -8.963 1.932 3.822 1.00 0.00 C ATOM 0 H LEU A 76 -5.978 -1.069 3.846 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.378 -1.040 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.741 -1.428 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.845 -0.363 4.343 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.699 0.734 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.424 0.843 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.967 -0.839 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.348 -0.042 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.776 2.655 3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.672 1.812 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.110 2.289 3.246 1.00 0.00 H new ATOM 1148 N GLN A 77 -6.651 2.041 2.389 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.603 3.401 1.879 1.00 0.00 C ATOM 1150 C GLN A 77 -5.459 3.573 0.880 1.00 0.00 C ATOM 1151 O GLN A 77 -5.465 4.506 0.078 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.524 4.417 3.035 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.196 5.152 3.186 1.00 0.00 C ATOM 1154 CD GLN A 77 -4.510 4.815 4.487 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -4.500 3.533 4.822 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -3.996 5.691 5.183 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.255 1.921 3.321 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.529 3.599 1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.313 5.157 2.898 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.736 3.894 3.968 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.542 4.894 2.353 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.368 6.227 3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.029 6.665 4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.537 5.442 6.059 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.480 2.670 0.927 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.350 2.737 0.013 1.00 0.00 C ATOM 1167 C TYR A 78 -3.668 2.055 -1.318 1.00 0.00 C ATOM 1168 O TYR A 78 -3.251 2.519 -2.379 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.117 2.073 0.628 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.458 2.874 1.728 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.181 3.296 2.833 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.108 3.193 1.665 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.579 4.013 3.848 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.503 3.909 2.676 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.236 4.316 3.765 1.00 0.00 C ATOM 1176 OH TYR A 78 0.368 5.030 4.775 1.00 0.00 O ATOM 0 H TYR A 78 -4.450 1.891 1.584 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.147 3.792 -0.169 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.404 1.100 1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.386 1.892 -0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.233 3.060 2.901 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.474 2.876 0.812 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.157 4.335 4.702 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.554 4.148 2.613 1.00 0.00 H new ATOM 0 HH TYR A 78 1.316 5.158 4.563 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.380 0.934 -1.247 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.723 0.164 -2.448 1.00 0.00 C ATOM 1188 C LEU A 79 -6.052 0.582 -3.081 1.00 0.00 C ATOM 1189 O LEU A 79 -6.338 0.217 -4.218 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.674 -1.355 -2.178 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.712 -1.978 -1.220 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.066 -2.295 0.114 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -6.929 -1.093 -1.010 1.00 0.00 C ATOM 0 H LEU A 79 -4.732 0.536 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.956 0.401 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.765 -1.863 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.684 -1.588 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.064 -2.896 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.807 -2.734 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.249 -3.001 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.676 -1.378 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.623 -1.584 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.616 -0.139 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.422 -0.920 -1.966 1.00 0.00 H new ATOM 1205 N ILE A 80 -6.878 1.304 -2.328 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.209 1.730 -2.794 1.00 0.00 C ATOM 1207 C ILE A 80 -8.387 1.642 -4.314 1.00 0.00 C ATOM 1208 O ILE A 80 -7.640 2.238 -5.089 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.531 3.179 -2.364 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.682 4.177 -3.149 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.312 3.361 -0.878 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.197 3.943 -3.007 1.00 0.00 C ATOM 0 H ILE A 80 -6.652 1.612 -1.382 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.897 1.028 -2.322 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.582 3.369 -2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.952 4.122 -4.204 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.917 5.187 -2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.545 4.389 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.961 2.680 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.272 3.146 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.654 4.687 -3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.914 4.027 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.949 2.946 -3.371 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.414 0.892 -4.703 1.00 0.00 N ATOM 1225 CA GLY A 81 -9.769 0.696 -6.101 1.00 0.00 C ATOM 1226 C GLY A 81 -8.600 0.673 -7.075 1.00 0.00 C ATOM 1227 O GLY A 81 -8.754 1.068 -8.231 1.00 0.00 O ATOM 0 H GLY A 81 -10.026 0.401 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.314 -0.244 -6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.453 1.491 -6.399 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.442 0.198 -6.635 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.298 0.129 -7.528 1.00 0.00 C ATOM 1233 C GLY A 82 -6.286 -1.163 -8.327 1.00 0.00 C ATOM 1234 O GLY A 82 -7.340 -1.739 -8.596 1.00 0.00 O ATOM 0 H GLY A 82 -7.273 -0.138 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.317 0.979 -8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.378 0.207 -6.948 1.00 0.00 H new ATOM 1238 N THR A 83 -5.098 -1.625 -8.698 1.00 0.00 N ATOM 1239 CA THR A 83 -4.965 -2.865 -9.459 1.00 0.00 C ATOM 1240 C THR A 83 -3.639 -3.551 -9.142 1.00 0.00 C ATOM 1241 O THR A 83 -2.586 -2.916 -9.147 1.00 0.00 O ATOM 1242 CB THR A 83 -5.064 -2.594 -10.961 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.366 -2.155 -11.306 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.749 -3.812 -11.804 1.00 0.00 C ATOM 0 H THR A 83 -4.214 -1.162 -8.486 1.00 0.00 H new ATOM 0 HA THR A 83 -5.782 -3.526 -9.169 1.00 0.00 H new ATOM 0 HB THR A 83 -4.322 -1.823 -11.170 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.916 -2.096 -10.497 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.836 -3.556 -12.860 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.733 -4.147 -11.594 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.451 -4.611 -11.565 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.694 -4.852 -8.871 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.486 -5.611 -8.562 1.00 0.00 C ATOM 1254 C VAL A 84 -2.329 -6.808 -9.484 1.00 0.00 C ATOM 1255 O VAL A 84 -3.309 -7.386 -9.951 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.438 -6.101 -7.085 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.704 -5.749 -6.319 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.161 -7.596 -7.004 1.00 0.00 C ATOM 0 H VAL A 84 -4.555 -5.399 -8.859 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.660 -4.917 -8.717 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.612 -5.572 -6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.622 -6.112 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.836 -4.667 -6.311 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.563 -6.216 -6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.134 -7.905 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.949 -8.141 -7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.201 -7.814 -7.472 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.082 -7.188 -9.714 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.771 -8.339 -10.544 1.00 0.00 C ATOM 1270 C ASP A 85 0.539 -8.968 -10.097 1.00 0.00 C ATOM 1271 O ASP A 85 1.469 -8.266 -9.701 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.703 -7.949 -12.022 1.00 0.00 C ATOM 1273 CG ASP A 85 -0.097 -6.576 -12.239 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -0.741 -5.575 -11.860 1.00 0.00 O ATOM 1275 OD2 ASP A 85 1.024 -6.501 -12.788 1.00 0.00 O ATOM 0 H ASP A 85 -0.264 -6.712 -9.334 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.570 -9.071 -10.428 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.115 -8.691 -12.562 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.707 -7.969 -12.445 1.00 0.00 H new ATOM 1280 N TYR A 86 0.609 -10.291 -10.149 1.00 0.00 N ATOM 1281 CA TYR A 86 1.807 -10.999 -9.732 1.00 0.00 C ATOM 1282 C TYR A 86 2.484 -11.687 -10.907 1.00 0.00 C ATOM 1283 O TYR A 86 1.826 -12.142 -11.842 1.00 0.00 O ATOM 1284 CB TYR A 86 1.456 -12.025 -8.661 1.00 0.00 C ATOM 1285 CG TYR A 86 2.261 -11.870 -7.396 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.635 -12.055 -7.401 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.645 -11.542 -6.198 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.377 -11.918 -6.246 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.378 -11.401 -5.037 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.746 -11.590 -5.065 1.00 0.00 C ATOM 1291 OH TYR A 86 4.485 -11.451 -3.910 1.00 0.00 O ATOM 0 H TYR A 86 -0.148 -10.892 -10.475 1.00 0.00 H new ATOM 0 HA TYR A 86 2.505 -10.268 -9.323 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.396 -11.940 -8.421 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.613 -13.026 -9.062 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.133 -12.311 -8.325 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.575 -11.395 -6.173 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.446 -12.067 -6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.884 -11.144 -4.111 1.00 0.00 H new ATOM 0 HH TYR A 86 3.948 -10.992 -3.231 1.00 0.00 H new ATOM 1301 N THR A 87 3.805 -11.771 -10.840 1.00 0.00 N ATOM 1302 CA THR A 87 4.582 -12.417 -11.884 1.00 0.00 C ATOM 1303 C THR A 87 5.820 -13.082 -11.293 1.00 0.00 C ATOM 1304 O THR A 87 6.882 -12.471 -11.199 1.00 0.00 O ATOM 1305 CB THR A 87 4.991 -11.403 -12.952 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.852 -10.779 -13.515 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.786 -12.017 -14.085 1.00 0.00 C ATOM 0 H THR A 87 4.361 -11.398 -10.070 1.00 0.00 H new ATOM 0 HA THR A 87 3.961 -13.183 -12.348 1.00 0.00 H new ATOM 0 HB THR A 87 5.622 -10.679 -12.436 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.136 -10.133 -14.195 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.045 -11.244 -14.809 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.698 -12.463 -13.689 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.188 -12.786 -14.574 1.00 0.00 H new ATOM 1413 N PHE A 95 6.159 -8.298 -7.630 1.00 0.00 N ATOM 1414 CA PHE A 95 4.807 -7.831 -7.354 1.00 0.00 C ATOM 1415 C PHE A 95 4.627 -6.390 -7.809 1.00 0.00 C ATOM 1416 O PHE A 95 5.496 -5.546 -7.586 1.00 0.00 O ATOM 1417 CB PHE A 95 4.495 -7.947 -5.860 1.00 0.00 C ATOM 1418 CG PHE A 95 3.025 -7.932 -5.553 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.131 -8.627 -6.355 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.533 -7.224 -4.465 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.781 -8.616 -6.078 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.181 -7.212 -4.186 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.304 -7.909 -4.994 1.00 0.00 C ATOM 0 HA PHE A 95 4.114 -8.461 -7.912 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.929 -8.871 -5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.977 -7.125 -5.331 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.497 -9.183 -7.206 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.215 -6.677 -3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.096 -9.161 -6.710 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.809 -6.658 -3.337 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.754 -7.900 -4.777 1.00 0.00 H new ATOM 1433 N THR A 96 3.497 -6.108 -8.449 1.00 0.00 N ATOM 1434 CA THR A 96 3.223 -4.758 -8.932 1.00 0.00 C ATOM 1435 C THR A 96 1.757 -4.379 -8.747 1.00 0.00 C ATOM 1436 O THR A 96 0.856 -5.126 -9.126 1.00 0.00 O ATOM 1437 CB THR A 96 3.603 -4.630 -10.406 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.588 -5.586 -10.757 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.139 -3.262 -10.766 1.00 0.00 C ATOM 0 H THR A 96 2.762 -6.788 -8.644 1.00 0.00 H new ATOM 0 HA THR A 96 3.829 -4.073 -8.339 1.00 0.00 H new ATOM 0 HB THR A 96 2.679 -4.798 -10.959 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.816 -5.488 -11.705 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.390 -3.237 -11.826 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.382 -2.507 -10.555 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.032 -3.055 -10.177 1.00 0.00 H new ATOM 1447 N VAL A 97 1.535 -3.203 -8.170 1.00 0.00 N ATOM 1448 CA VAL A 97 0.185 -2.700 -7.939 1.00 0.00 C ATOM 1449 C VAL A 97 0.053 -1.273 -8.466 1.00 0.00 C ATOM 1450 O VAL A 97 1.051 -0.570 -8.621 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.191 -2.727 -6.442 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.700 -2.732 -6.273 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.421 -3.937 -5.749 1.00 0.00 C ATOM 0 H VAL A 97 2.276 -2.578 -7.852 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.499 -3.358 -8.475 1.00 0.00 H new ATOM 0 HB VAL A 97 0.211 -1.827 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.947 -2.751 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.120 -1.835 -6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.118 -3.614 -6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.141 -3.933 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.054 -4.850 -6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.507 -3.896 -5.836 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.174 -0.851 -8.752 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.408 0.491 -9.273 1.00 0.00 C ATOM 1465 C ASN A 98 -2.647 1.126 -8.648 1.00 0.00 C ATOM 1466 O ASN A 98 -3.725 0.533 -8.636 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.557 0.447 -10.794 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.428 -0.318 -11.459 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.746 -0.009 -11.258 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.780 -1.320 -12.256 1.00 0.00 N ATOM 0 H ASN A 98 -2.016 -1.414 -8.633 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.546 1.104 -9.010 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.509 -0.018 -11.051 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.583 1.464 -11.184 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.064 -1.869 -12.731 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.766 -1.540 -12.393 1.00 0.00 H new