USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 960 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 120 SER OG : rot 180:sc= -0.288 USER MOD Set 1.2: A 121 HIS : no HE2:sc= 0.102 K(o=-0.19,f=-1.6) USER MOD Set 2.1: A 95 GLN :FLIP amide:sc= -4.36! C(o=-11!,f=-7.4!) USER MOD Set 2.2: A 96 GLN : amide:sc= -3.01 X(o=-7.4,f=-7.7) USER MOD Set 3.1: A 81 MET CE :methyl 149:sc= -0.938 (180deg=-2.18) USER MOD Set 3.2: A 82 THR OG1 : rot -170:sc= -0.101 USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0108) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.442 (180deg=-0.568) USER MOD Single : A 2 GLN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 165:sc= -1.8 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 122:sc= -1.46! USER MOD Single : A 35 ASN : amide:sc= -2.16! K(o=-2.2!,f=-3.5) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.204 F(o=-0.93,f=-0.2) USER MOD Single : A 45 SER OG : rot 4:sc= 0.972 USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= -1.49 (180deg=-1.99) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0483 K(o=-0.048,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.27) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -12! C(o=-14!,f=-12!) USER MOD Single : A 75 MET CE :methyl -160:sc= -0.0948 (180deg=-0.503) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -1.57 F(o=-2.9,f=-1.6) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 52:sc= -0.306! USER MOD Single : A 101 TYR OH : rot -7:sc= -2.85! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 30:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.73 K(o=-0.73,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.947 -16.554 4.655 1.00 0.00 N ATOM 2 CA MET A 1 13.589 -16.856 4.127 1.00 0.00 C ATOM 3 C MET A 1 12.890 -15.592 3.644 1.00 0.00 C ATOM 4 O MET A 1 12.978 -14.539 4.276 1.00 0.00 O ATOM 5 CB MET A 1 12.767 -17.531 5.229 1.00 0.00 C ATOM 6 CG MET A 1 12.625 -16.700 6.495 1.00 0.00 C ATOM 7 SD MET A 1 13.075 -17.616 7.983 1.00 0.00 S ATOM 8 CE MET A 1 14.858 -17.445 7.971 1.00 0.00 C ATOM 0 H1 MET A 1 15.337 -17.402 5.114 1.00 0.00 H new ATOM 0 H2 MET A 1 15.568 -16.267 3.872 1.00 0.00 H new ATOM 0 H3 MET A 1 14.886 -15.782 5.349 1.00 0.00 H new ATOM 0 HA MET A 1 13.683 -17.525 3.272 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.773 -17.755 4.841 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.232 -18.484 5.483 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.254 -15.813 6.415 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.595 -16.354 6.584 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.273 -17.900 8.870 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.265 -17.943 7.091 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.122 -16.388 7.944 1.00 0.00 H new ATOM 20 N GLN A 2 12.199 -15.707 2.515 1.00 0.00 N ATOM 21 CA GLN A 2 11.483 -14.578 1.932 1.00 0.00 C ATOM 22 C GLN A 2 12.446 -13.468 1.531 1.00 0.00 C ATOM 23 O GLN A 2 13.360 -13.122 2.278 1.00 0.00 O ATOM 24 CB GLN A 2 10.440 -14.040 2.909 1.00 0.00 C ATOM 25 CG GLN A 2 9.138 -14.822 2.900 1.00 0.00 C ATOM 26 CD GLN A 2 8.566 -15.016 4.291 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.109 -15.769 5.099 1.00 0.00 O ATOM 28 NE2 GLN A 2 7.463 -14.335 4.576 1.00 0.00 N ATOM 0 H GLN A 2 12.120 -16.574 1.984 1.00 0.00 H new ATOM 0 HA GLN A 2 10.975 -14.933 1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.856 -14.055 3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.230 -12.998 2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.409 -14.300 2.281 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.306 -15.796 2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.047 -13.722 3.875 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.032 -14.425 5.496 1.00 0.00 H new ATOM 37 N ARG A 3 12.231 -12.915 0.345 1.00 0.00 N ATOM 38 CA ARG A 3 13.074 -11.848 -0.166 1.00 0.00 C ATOM 39 C ARG A 3 12.537 -10.478 0.233 1.00 0.00 C ATOM 40 O ARG A 3 13.274 -9.491 0.246 1.00 0.00 O ATOM 41 CB ARG A 3 13.176 -11.936 -1.690 1.00 0.00 C ATOM 42 CG ARG A 3 11.827 -12.049 -2.385 1.00 0.00 C ATOM 43 CD ARG A 3 11.674 -13.382 -3.104 1.00 0.00 C ATOM 44 NE ARG A 3 11.687 -13.225 -4.559 1.00 0.00 N ATOM 45 CZ ARG A 3 10.594 -13.215 -5.324 1.00 0.00 C ATOM 46 NH1 ARG A 3 9.387 -13.344 -4.784 1.00 0.00 N ATOM 47 NH2 ARG A 3 10.710 -13.075 -6.639 1.00 0.00 N ATOM 0 H ARG A 3 11.476 -13.191 -0.282 1.00 0.00 H new ATOM 0 HA ARG A 3 14.065 -11.970 0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.695 -11.053 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.786 -12.799 -1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.029 -11.938 -1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.717 -11.235 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 3 12.481 -14.050 -2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.740 -13.853 -2.799 1.00 0.00 H new ATOM 0 HE ARG A 3 12.591 -13.116 -5.018 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.289 -13.452 -3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.559 -13.335 -5.379 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.633 -12.975 -7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.876 -13.067 -7.227 1.00 0.00 H new ATOM 61 N GLY A 4 11.249 -10.419 0.546 1.00 0.00 N ATOM 62 CA GLY A 4 10.637 -9.162 0.928 1.00 0.00 C ATOM 63 C GLY A 4 10.347 -8.288 -0.276 1.00 0.00 C ATOM 64 O GLY A 4 11.247 -7.650 -0.821 1.00 0.00 O ATOM 0 H GLY A 4 10.617 -11.220 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.710 -9.358 1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.297 -8.630 1.613 1.00 0.00 H new ATOM 68 N ILE A 5 9.088 -8.271 -0.700 1.00 0.00 N ATOM 69 CA ILE A 5 8.682 -7.481 -1.855 1.00 0.00 C ATOM 70 C ILE A 5 7.647 -6.428 -1.476 1.00 0.00 C ATOM 71 O ILE A 5 6.515 -6.754 -1.117 1.00 0.00 O ATOM 72 CB ILE A 5 8.096 -8.377 -2.963 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.009 -9.576 -3.212 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.896 -7.579 -4.243 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.560 -10.835 -2.505 1.00 0.00 C ATOM 0 H ILE A 5 8.332 -8.796 -0.261 1.00 0.00 H new ATOM 0 HA ILE A 5 9.579 -6.984 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 5 7.124 -8.746 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.058 -9.769 -4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.019 -9.327 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.481 -8.227 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.209 -6.754 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.854 -7.183 -4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.255 -11.645 -2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.538 -10.660 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.562 -11.109 -2.848 1.00 0.00 H new ATOM 87 N VAL A 6 8.042 -5.163 -1.572 1.00 0.00 N ATOM 88 CA VAL A 6 7.148 -4.058 -1.255 1.00 0.00 C ATOM 89 C VAL A 6 6.682 -3.363 -2.525 1.00 0.00 C ATOM 90 O VAL A 6 7.491 -2.976 -3.367 1.00 0.00 O ATOM 91 CB VAL A 6 7.824 -3.013 -0.341 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.957 -2.318 -1.076 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.804 -1.997 0.155 1.00 0.00 C ATOM 0 H VAL A 6 8.976 -4.879 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 6 6.296 -4.487 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 6 8.241 -3.529 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.422 -1.585 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.700 -3.055 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.563 -1.814 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.299 -1.269 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.357 -1.485 -0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.025 -2.509 0.720 1.00 0.00 H new ATOM 103 N TRP A 7 5.382 -3.198 -2.667 1.00 0.00 N ATOM 104 CA TRP A 7 4.833 -2.542 -3.839 1.00 0.00 C ATOM 105 C TRP A 7 4.165 -1.237 -3.438 1.00 0.00 C ATOM 106 O TRP A 7 3.428 -1.182 -2.456 1.00 0.00 O ATOM 107 CB TRP A 7 3.872 -3.488 -4.557 1.00 0.00 C ATOM 108 CG TRP A 7 4.596 -4.511 -5.384 1.00 0.00 C ATOM 109 CD1 TRP A 7 5.929 -4.813 -5.316 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.047 -5.368 -6.393 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.245 -5.784 -6.224 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.110 -6.151 -6.893 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.767 -5.553 -6.928 1.00 0.00 C ATOM 114 CZ2 TRP A 7 4.931 -7.097 -7.894 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.593 -6.497 -7.924 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.671 -7.259 -8.397 1.00 0.00 C ATOM 0 H TRP A 7 4.687 -3.508 -1.988 1.00 0.00 H new ATOM 0 HA TRP A 7 5.633 -2.295 -4.537 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.246 -3.994 -3.822 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.207 -2.910 -5.198 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.632 -4.349 -4.640 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.176 -6.172 -6.378 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.931 -4.970 -6.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.759 -7.684 -8.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.610 -6.650 -8.345 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.502 -7.989 -9.175 1.00 0.00 H new ATOM 127 N VAL A 8 4.464 -0.172 -4.173 1.00 0.00 N ATOM 128 CA VAL A 8 3.917 1.142 -3.858 1.00 0.00 C ATOM 129 C VAL A 8 3.171 1.736 -5.042 1.00 0.00 C ATOM 130 O VAL A 8 3.591 1.603 -6.185 1.00 0.00 O ATOM 131 CB VAL A 8 5.023 2.135 -3.426 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.534 2.994 -2.273 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.318 1.416 -3.049 1.00 0.00 C ATOM 0 H VAL A 8 5.079 -0.192 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 8 3.224 0.991 -3.030 1.00 0.00 H new ATOM 0 HB VAL A 8 5.245 2.776 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.320 3.689 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.653 3.555 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.277 2.356 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.068 2.149 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.128 0.735 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.683 0.850 -3.906 1.00 0.00 H new ATOM 143 N VAL A 9 2.068 2.405 -4.759 1.00 0.00 N ATOM 144 CA VAL A 9 1.279 3.026 -5.809 1.00 0.00 C ATOM 145 C VAL A 9 1.098 4.520 -5.547 1.00 0.00 C ATOM 146 O VAL A 9 0.419 4.926 -4.605 1.00 0.00 O ATOM 147 CB VAL A 9 -0.093 2.346 -5.960 1.00 0.00 C ATOM 148 CG1 VAL A 9 0.067 0.907 -6.426 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.876 2.399 -4.658 1.00 0.00 C ATOM 0 H VAL A 9 1.699 2.532 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 9 1.827 2.899 -6.743 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.655 2.894 -6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.915 0.446 -6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.575 0.891 -7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.656 0.352 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.841 1.911 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.317 1.885 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.032 3.438 -4.369 1.00 0.00 H new ATOM 159 N ASP A 10 1.728 5.336 -6.386 1.00 0.00 N ATOM 160 CA ASP A 10 1.655 6.787 -6.254 1.00 0.00 C ATOM 161 C ASP A 10 2.060 7.463 -7.561 1.00 0.00 C ATOM 162 O ASP A 10 1.995 6.853 -8.629 1.00 0.00 O ATOM 163 CB ASP A 10 2.555 7.257 -5.105 1.00 0.00 C ATOM 164 CG ASP A 10 1.976 8.447 -4.365 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.129 9.154 -4.953 1.00 0.00 O ATOM 166 OD2 ASP A 10 2.369 8.674 -3.201 1.00 0.00 O ATOM 0 H ASP A 10 2.298 5.015 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 10 0.626 7.067 -6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.704 6.435 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.536 7.521 -5.500 1.00 0.00 H new ATOM 171 N ASP A 11 2.477 8.722 -7.472 1.00 0.00 N ATOM 172 CA ASP A 11 2.891 9.481 -8.647 1.00 0.00 C ATOM 173 C ASP A 11 4.237 9.000 -9.195 1.00 0.00 C ATOM 174 O ASP A 11 4.810 9.635 -10.080 1.00 0.00 O ATOM 175 CB ASP A 11 2.972 10.968 -8.313 1.00 0.00 C ATOM 176 CG ASP A 11 1.615 11.640 -8.359 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.912 11.627 -7.328 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.257 12.177 -9.427 1.00 0.00 O ATOM 0 H ASP A 11 2.537 9.240 -6.595 1.00 0.00 H new ATOM 0 HA ASP A 11 2.139 9.319 -9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.404 11.092 -7.320 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.643 11.461 -9.016 1.00 0.00 H new ATOM 183 N ASP A 12 4.736 7.878 -8.671 1.00 0.00 N ATOM 184 CA ASP A 12 6.007 7.311 -9.112 1.00 0.00 C ATOM 185 C ASP A 12 7.111 8.375 -9.178 1.00 0.00 C ATOM 186 O ASP A 12 7.231 9.193 -8.269 1.00 0.00 O ATOM 187 CB ASP A 12 5.821 6.599 -10.460 1.00 0.00 C ATOM 188 CG ASP A 12 5.390 7.536 -11.573 1.00 0.00 C ATOM 189 OD1 ASP A 12 6.253 8.257 -12.115 1.00 0.00 O ATOM 190 OD2 ASP A 12 4.186 7.545 -11.904 1.00 0.00 O ATOM 0 H ASP A 12 4.273 7.343 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 12 6.331 6.575 -8.376 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.757 6.116 -10.741 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.077 5.811 -10.348 1.00 0.00 H new ATOM 195 N SER A 13 7.915 8.353 -10.250 1.00 0.00 N ATOM 196 CA SER A 13 9.009 9.296 -10.440 1.00 0.00 C ATOM 197 C SER A 13 9.715 9.661 -9.132 1.00 0.00 C ATOM 198 O SER A 13 10.746 9.078 -8.780 1.00 0.00 O ATOM 199 CB SER A 13 8.480 10.534 -11.157 1.00 0.00 C ATOM 200 OG SER A 13 9.501 11.173 -11.905 1.00 0.00 O ATOM 0 H SER A 13 7.819 7.677 -11.007 1.00 0.00 H new ATOM 0 HA SER A 13 9.769 8.815 -11.055 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.663 10.251 -11.821 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.070 11.232 -10.427 1.00 0.00 H new ATOM 0 HG SER A 13 9.132 11.962 -12.355 1.00 0.00 H new ATOM 206 N SER A 14 9.164 10.631 -8.422 1.00 0.00 N ATOM 207 CA SER A 14 9.740 11.091 -7.166 1.00 0.00 C ATOM 208 C SER A 14 9.433 10.140 -6.009 1.00 0.00 C ATOM 209 O SER A 14 10.306 9.846 -5.193 1.00 0.00 O ATOM 210 CB SER A 14 9.216 12.487 -6.833 1.00 0.00 C ATOM 211 OG SER A 14 9.806 12.983 -5.647 1.00 0.00 O ATOM 0 H SER A 14 8.311 11.120 -8.696 1.00 0.00 H new ATOM 0 HA SER A 14 10.822 11.119 -7.295 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.428 13.165 -7.660 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.133 12.454 -6.718 1.00 0.00 H new ATOM 0 HG SER A 14 9.455 13.878 -5.457 1.00 0.00 H new ATOM 217 N ILE A 15 8.191 9.682 -5.932 1.00 0.00 N ATOM 218 CA ILE A 15 7.778 8.788 -4.857 1.00 0.00 C ATOM 219 C ILE A 15 8.512 7.456 -4.905 1.00 0.00 C ATOM 220 O ILE A 15 8.801 6.857 -3.869 1.00 0.00 O ATOM 221 CB ILE A 15 6.261 8.523 -4.895 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.494 9.839 -5.028 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.824 7.775 -3.643 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.708 10.785 -3.867 1.00 0.00 C ATOM 0 H ILE A 15 7.454 9.913 -6.598 1.00 0.00 H new ATOM 0 HA ILE A 15 8.035 9.296 -3.928 1.00 0.00 H new ATOM 0 HB ILE A 15 6.037 7.904 -5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.797 10.335 -5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.430 9.622 -5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.750 7.595 -3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.350 6.822 -3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.059 8.372 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.133 11.697 -4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.378 10.308 -2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.767 11.032 -3.790 1.00 0.00 H new ATOM 236 N ARG A 16 8.804 6.996 -6.109 1.00 0.00 N ATOM 237 CA ARG A 16 9.496 5.723 -6.291 1.00 0.00 C ATOM 238 C ARG A 16 10.931 5.784 -5.791 1.00 0.00 C ATOM 239 O ARG A 16 11.363 4.937 -5.009 1.00 0.00 O ATOM 240 CB ARG A 16 9.487 5.303 -7.762 1.00 0.00 C ATOM 241 CG ARG A 16 9.936 6.381 -8.734 1.00 0.00 C ATOM 242 CD ARG A 16 10.466 5.775 -10.024 1.00 0.00 C ATOM 243 NE ARG A 16 9.395 5.236 -10.860 1.00 0.00 N ATOM 244 CZ ARG A 16 9.600 4.629 -12.028 1.00 0.00 C ATOM 245 NH1 ARG A 16 10.832 4.475 -12.495 1.00 0.00 N ATOM 246 NH2 ARG A 16 8.570 4.173 -12.730 1.00 0.00 N ATOM 0 H ARG A 16 8.575 7.481 -6.977 1.00 0.00 H new ATOM 0 HA ARG A 16 8.957 4.982 -5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.134 4.434 -7.881 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.478 4.989 -8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.100 7.043 -8.957 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.711 6.991 -8.271 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.014 6.534 -10.582 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.174 4.981 -9.787 1.00 0.00 H new ATOM 0 HE ARG A 16 8.435 5.330 -10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.628 4.822 -11.959 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.984 4.010 -13.390 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.621 4.287 -12.375 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.728 3.708 -13.624 1.00 0.00 H new ATOM 260 N TRP A 17 11.670 6.773 -6.265 1.00 0.00 N ATOM 261 CA TRP A 17 13.069 6.929 -5.886 1.00 0.00 C ATOM 262 C TRP A 17 13.256 6.994 -4.372 1.00 0.00 C ATOM 263 O TRP A 17 14.197 6.414 -3.832 1.00 0.00 O ATOM 264 CB TRP A 17 13.648 8.183 -6.534 1.00 0.00 C ATOM 265 CG TRP A 17 15.141 8.236 -6.487 1.00 0.00 C ATOM 266 CD1 TRP A 17 16.014 7.557 -7.287 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.936 9.017 -5.592 1.00 0.00 C ATOM 268 NE1 TRP A 17 17.307 7.870 -6.943 1.00 0.00 N ATOM 269 CE2 TRP A 17 17.284 8.764 -5.903 1.00 0.00 C ATOM 270 CE3 TRP A 17 15.637 9.904 -4.556 1.00 0.00 C ATOM 271 CZ2 TRP A 17 18.332 9.371 -5.216 1.00 0.00 C ATOM 272 CZ3 TRP A 17 16.677 10.505 -3.875 1.00 0.00 C ATOM 273 CH2 TRP A 17 18.010 10.238 -4.208 1.00 0.00 C ATOM 0 H TRP A 17 11.327 7.482 -6.913 1.00 0.00 H new ATOM 0 HA TRP A 17 13.602 6.048 -6.243 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.322 8.230 -7.573 1.00 0.00 H new ATOM 0 HB3 TRP A 17 13.244 9.063 -6.033 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.730 6.874 -8.074 1.00 0.00 H new ATOM 0 HE1 TRP A 17 18.146 7.498 -7.388 1.00 0.00 H new ATOM 0 HE3 TRP A 17 14.611 10.116 -4.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 19.361 9.165 -5.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 16.458 11.193 -3.072 1.00 0.00 H new ATOM 0 HH2 TRP A 17 18.801 10.727 -3.658 1.00 0.00 H new ATOM 284 N VAL A 18 12.377 7.720 -3.694 1.00 0.00 N ATOM 285 CA VAL A 18 12.476 7.879 -2.248 1.00 0.00 C ATOM 286 C VAL A 18 12.213 6.580 -1.500 1.00 0.00 C ATOM 287 O VAL A 18 12.962 6.206 -0.598 1.00 0.00 O ATOM 288 CB VAL A 18 11.494 8.941 -1.727 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.806 9.278 -0.277 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.527 10.190 -2.600 1.00 0.00 C ATOM 0 H VAL A 18 11.589 8.207 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 18 13.502 8.196 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 18 10.485 8.533 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.104 10.031 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.716 8.379 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.822 9.666 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.823 10.925 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.532 10.611 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.249 9.928 -3.621 1.00 0.00 H new ATOM 300 N LEU A 19 11.127 5.925 -1.856 1.00 0.00 N ATOM 301 CA LEU A 19 10.732 4.689 -1.196 1.00 0.00 C ATOM 302 C LEU A 19 11.511 3.478 -1.696 1.00 0.00 C ATOM 303 O LEU A 19 11.676 2.504 -0.968 1.00 0.00 O ATOM 304 CB LEU A 19 9.229 4.457 -1.361 1.00 0.00 C ATOM 305 CG LEU A 19 8.386 4.878 -0.159 1.00 0.00 C ATOM 306 CD1 LEU A 19 6.906 4.707 -0.456 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.784 4.077 1.068 1.00 0.00 C ATOM 0 H LEU A 19 10.498 6.226 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 19 10.970 4.804 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.884 5.003 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.057 3.398 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 19 8.571 5.933 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.323 5.012 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.633 5.325 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.699 3.661 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.176 4.387 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.626 3.016 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.836 4.253 1.292 1.00 0.00 H new ATOM 319 N GLU A 20 11.987 3.528 -2.930 1.00 0.00 N ATOM 320 CA GLU A 20 12.735 2.404 -3.481 1.00 0.00 C ATOM 321 C GLU A 20 14.065 2.215 -2.762 1.00 0.00 C ATOM 322 O GLU A 20 14.343 1.149 -2.215 1.00 0.00 O ATOM 323 CB GLU A 20 12.956 2.563 -4.992 1.00 0.00 C ATOM 324 CG GLU A 20 13.943 3.643 -5.398 1.00 0.00 C ATOM 325 CD GLU A 20 14.019 3.807 -6.906 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.976 3.649 -7.574 1.00 0.00 O ATOM 327 OE2 GLU A 20 15.122 4.093 -7.417 1.00 0.00 O ATOM 0 H GLU A 20 11.873 4.320 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 20 12.134 1.509 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.301 1.610 -5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.996 2.777 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.651 4.590 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.931 3.395 -5.010 1.00 0.00 H new ATOM 334 N ARG A 21 14.879 3.253 -2.778 1.00 0.00 N ATOM 335 CA ARG A 21 16.192 3.216 -2.141 1.00 0.00 C ATOM 336 C ARG A 21 16.090 2.957 -0.636 1.00 0.00 C ATOM 337 O ARG A 21 16.720 2.035 -0.116 1.00 0.00 O ATOM 338 CB ARG A 21 16.937 4.528 -2.399 1.00 0.00 C ATOM 339 CG ARG A 21 17.311 4.735 -3.859 1.00 0.00 C ATOM 340 CD ARG A 21 18.812 4.626 -4.079 1.00 0.00 C ATOM 341 NE ARG A 21 19.150 4.524 -5.498 1.00 0.00 N ATOM 342 CZ ARG A 21 18.967 3.425 -6.226 1.00 0.00 C ATOM 343 NH1 ARG A 21 18.466 2.330 -5.670 1.00 0.00 N ATOM 344 NH2 ARG A 21 19.289 3.420 -7.512 1.00 0.00 N ATOM 0 H ARG A 21 14.656 4.141 -3.228 1.00 0.00 H new ATOM 0 HA ARG A 21 16.748 2.388 -2.580 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.315 5.361 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.843 4.548 -1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.799 3.995 -4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.966 5.716 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 21 19.306 5.498 -3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 21 19.194 3.752 -3.551 1.00 0.00 H new ATOM 0 HE ARG A 21 19.549 5.343 -5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.219 2.328 -4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.328 1.490 -6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.677 4.259 -7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 21 19.149 2.578 -8.070 1.00 0.00 H new ATOM 358 N ALA A 22 15.311 3.779 0.064 1.00 0.00 N ATOM 359 CA ALA A 22 15.157 3.636 1.511 1.00 0.00 C ATOM 360 C ALA A 22 14.636 2.259 1.894 1.00 0.00 C ATOM 361 O ALA A 22 14.992 1.720 2.942 1.00 0.00 O ATOM 362 CB ALA A 22 14.248 4.725 2.065 1.00 0.00 C ATOM 0 H ALA A 22 14.779 4.547 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 22 16.147 3.745 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.146 4.601 3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.680 5.703 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.266 4.652 1.597 1.00 0.00 H new ATOM 368 N LEU A 23 13.801 1.691 1.043 1.00 0.00 N ATOM 369 CA LEU A 23 13.244 0.369 1.300 1.00 0.00 C ATOM 370 C LEU A 23 14.288 -0.707 1.027 1.00 0.00 C ATOM 371 O LEU A 23 14.309 -1.764 1.668 1.00 0.00 O ATOM 372 CB LEU A 23 11.995 0.142 0.449 1.00 0.00 C ATOM 373 CG LEU A 23 11.121 -1.039 0.867 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.694 -2.343 0.346 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.962 -1.100 2.379 1.00 0.00 C ATOM 0 H LEU A 23 13.493 2.120 0.170 1.00 0.00 H new ATOM 0 HA LEU A 23 12.956 0.309 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.389 1.048 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.303 -0.005 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 23 10.134 -0.891 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.056 -3.170 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.743 -2.310 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.696 -2.487 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.335 -1.951 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.942 -1.212 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.495 -0.181 2.733 1.00 0.00 H new ATOM 387 N ALA A 24 15.176 -0.417 0.089 1.00 0.00 N ATOM 388 CA ALA A 24 16.245 -1.337 -0.247 1.00 0.00 C ATOM 389 C ALA A 24 17.168 -1.494 0.952 1.00 0.00 C ATOM 390 O ALA A 24 17.715 -2.571 1.196 1.00 0.00 O ATOM 391 CB ALA A 24 17.013 -0.844 -1.463 1.00 0.00 C ATOM 0 H ALA A 24 15.176 0.448 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 24 15.820 -2.309 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.811 -1.548 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 24 16.336 -0.764 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.444 0.134 -1.249 1.00 0.00 H new ATOM 397 N GLY A 25 17.316 -0.413 1.717 1.00 0.00 N ATOM 398 CA GLY A 25 18.147 -0.457 2.901 1.00 0.00 C ATOM 399 C GLY A 25 17.599 -1.434 3.918 1.00 0.00 C ATOM 400 O GLY A 25 18.341 -1.984 4.731 1.00 0.00 O ATOM 0 H GLY A 25 16.875 0.488 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.162 -0.745 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.207 0.537 3.344 1.00 0.00 H new ATOM 404 N ALA A 26 16.286 -1.656 3.860 1.00 0.00 N ATOM 405 CA ALA A 26 15.626 -2.579 4.765 1.00 0.00 C ATOM 406 C ALA A 26 15.850 -4.022 4.326 1.00 0.00 C ATOM 407 O ALA A 26 15.637 -4.956 5.100 1.00 0.00 O ATOM 408 CB ALA A 26 14.140 -2.267 4.835 1.00 0.00 C ATOM 0 H ALA A 26 15.662 -1.205 3.191 1.00 0.00 H new ATOM 0 HA ALA A 26 16.058 -2.458 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.653 -2.965 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.999 -1.248 5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.701 -2.364 3.842 1.00 0.00 H new ATOM 414 N GLY A 27 16.296 -4.199 3.082 1.00 0.00 N ATOM 415 CA GLY A 27 16.557 -5.529 2.574 1.00 0.00 C ATOM 416 C GLY A 27 15.415 -6.102 1.759 1.00 0.00 C ATOM 417 O GLY A 27 15.270 -7.322 1.672 1.00 0.00 O ATOM 0 H GLY A 27 16.479 -3.444 2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.455 -5.504 1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.764 -6.195 3.412 1.00 0.00 H new ATOM 421 N LEU A 28 14.597 -5.242 1.154 1.00 0.00 N ATOM 422 CA LEU A 28 13.482 -5.722 0.353 1.00 0.00 C ATOM 423 C LEU A 28 13.408 -5.012 -0.996 1.00 0.00 C ATOM 424 O LEU A 28 14.126 -4.042 -1.241 1.00 0.00 O ATOM 425 CB LEU A 28 12.161 -5.581 1.111 1.00 0.00 C ATOM 426 CG LEU A 28 12.289 -5.449 2.629 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.390 -3.988 3.035 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.116 -6.126 3.322 1.00 0.00 C ATOM 0 H LEU A 28 14.686 -4.227 1.204 1.00 0.00 H new ATOM 0 HA LEU A 28 13.656 -6.781 0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.634 -4.706 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.540 -6.449 0.889 1.00 0.00 H new ATOM 0 HG LEU A 28 13.205 -5.949 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.480 -3.917 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.267 -3.540 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.495 -3.457 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.223 -6.023 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.185 -5.657 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.099 -7.184 3.059 1.00 0.00 H new ATOM 440 N THR A 29 12.539 -5.513 -1.871 1.00 0.00 N ATOM 441 CA THR A 29 12.372 -4.942 -3.203 1.00 0.00 C ATOM 442 C THR A 29 11.208 -3.961 -3.224 1.00 0.00 C ATOM 443 O THR A 29 10.157 -4.218 -2.641 1.00 0.00 O ATOM 444 CB THR A 29 12.153 -6.060 -4.232 1.00 0.00 C ATOM 445 OG1 THR A 29 13.336 -6.820 -4.401 1.00 0.00 O ATOM 446 CG2 THR A 29 11.736 -5.559 -5.600 1.00 0.00 C ATOM 0 H THR A 29 11.939 -6.315 -1.680 1.00 0.00 H new ATOM 0 HA THR A 29 13.279 -4.398 -3.465 1.00 0.00 H new ATOM 0 HB THR A 29 11.341 -6.663 -3.826 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.178 -7.529 -5.059 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.600 -6.406 -6.272 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.799 -5.009 -5.516 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.509 -4.901 -5.997 1.00 0.00 H new ATOM 454 N CYS A 30 11.403 -2.833 -3.890 1.00 0.00 N ATOM 455 CA CYS A 30 10.367 -1.816 -3.972 1.00 0.00 C ATOM 456 C CYS A 30 10.056 -1.453 -5.414 1.00 0.00 C ATOM 457 O CYS A 30 10.921 -0.978 -6.151 1.00 0.00 O ATOM 458 CB CYS A 30 10.789 -0.572 -3.192 1.00 0.00 C ATOM 459 SG CYS A 30 9.436 0.575 -2.846 1.00 0.00 S ATOM 0 H CYS A 30 12.267 -2.600 -4.380 1.00 0.00 H new ATOM 0 HA CYS A 30 9.459 -2.226 -3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.238 -0.883 -2.249 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.561 -0.047 -3.755 1.00 0.00 H new ATOM 0 HG CYS A 30 9.806 1.418 -1.928 1.00 0.00 H new ATOM 465 N THR A 31 8.805 -1.666 -5.801 1.00 0.00 N ATOM 466 CA THR A 31 8.354 -1.344 -7.143 1.00 0.00 C ATOM 467 C THR A 31 7.133 -0.439 -7.031 1.00 0.00 C ATOM 468 O THR A 31 6.231 -0.699 -6.233 1.00 0.00 O ATOM 469 CB THR A 31 8.031 -2.616 -7.938 1.00 0.00 C ATOM 470 OG1 THR A 31 8.082 -2.355 -9.328 1.00 0.00 O ATOM 471 CG2 THR A 31 6.663 -3.172 -7.652 1.00 0.00 C ATOM 0 H THR A 31 8.083 -2.063 -5.199 1.00 0.00 H new ATOM 0 HA THR A 31 9.146 -0.828 -7.685 1.00 0.00 H new ATOM 0 HB THR A 31 8.781 -3.344 -7.628 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.876 -3.175 -9.823 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.503 -4.070 -8.249 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.585 -3.421 -6.594 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.908 -2.428 -7.906 1.00 0.00 H new ATOM 479 N THR A 32 7.131 0.643 -7.786 1.00 0.00 N ATOM 480 CA THR A 32 6.048 1.609 -7.719 1.00 0.00 C ATOM 481 C THR A 32 5.082 1.508 -8.889 1.00 0.00 C ATOM 482 O THR A 32 5.364 0.870 -9.901 1.00 0.00 O ATOM 483 CB THR A 32 6.634 3.004 -7.626 1.00 0.00 C ATOM 484 OG1 THR A 32 7.358 3.320 -8.803 1.00 0.00 O ATOM 485 CG2 THR A 32 7.570 3.146 -6.449 1.00 0.00 C ATOM 0 H THR A 32 7.866 0.876 -8.453 1.00 0.00 H new ATOM 0 HA THR A 32 5.461 1.386 -6.828 1.00 0.00 H new ATOM 0 HB THR A 32 5.793 3.686 -7.499 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.981 4.127 -9.212 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.967 4.161 -6.420 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.027 2.942 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.392 2.437 -6.550 1.00 0.00 H new ATOM 493 N PHE A 33 3.919 2.126 -8.710 1.00 0.00 N ATOM 494 CA PHE A 33 2.870 2.099 -9.714 1.00 0.00 C ATOM 495 C PHE A 33 2.267 3.490 -9.937 1.00 0.00 C ATOM 496 O PHE A 33 2.614 4.447 -9.246 1.00 0.00 O ATOM 497 CB PHE A 33 1.809 1.082 -9.307 1.00 0.00 C ATOM 498 CG PHE A 33 2.349 -0.322 -9.200 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.293 -0.648 -8.240 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.914 -1.316 -10.060 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.789 -1.931 -8.143 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.404 -2.599 -9.967 1.00 0.00 C ATOM 503 CZ PHE A 33 3.343 -2.913 -9.012 1.00 0.00 C ATOM 0 H PHE A 33 3.682 2.655 -7.871 1.00 0.00 H new ATOM 0 HA PHE A 33 3.301 1.794 -10.668 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.382 1.375 -8.348 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.999 1.099 -10.036 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.645 0.113 -7.559 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.179 -1.081 -10.816 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.525 -2.170 -7.390 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.050 -3.361 -10.646 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.730 -3.919 -8.940 1.00 0.00 H new ATOM 513 N GLU A 34 1.399 3.594 -10.942 1.00 0.00 N ATOM 514 CA GLU A 34 0.784 4.869 -11.319 1.00 0.00 C ATOM 515 C GLU A 34 -0.081 5.483 -10.211 1.00 0.00 C ATOM 516 O GLU A 34 -0.120 6.706 -10.073 1.00 0.00 O ATOM 517 CB GLU A 34 -0.050 4.674 -12.592 1.00 0.00 C ATOM 518 CG GLU A 34 -1.378 3.959 -12.367 1.00 0.00 C ATOM 519 CD GLU A 34 -1.576 2.774 -13.296 1.00 0.00 C ATOM 520 OE1 GLU A 34 -0.860 2.689 -14.315 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.451 1.929 -13.000 1.00 0.00 O ATOM 0 H GLU A 34 1.103 2.804 -11.515 1.00 0.00 H new ATOM 0 HA GLU A 34 1.596 5.574 -11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.246 5.649 -13.037 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.537 4.107 -13.314 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.430 3.617 -11.333 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.195 4.667 -12.510 1.00 0.00 H new ATOM 528 N ASN A 35 -0.766 4.664 -9.419 1.00 0.00 N ATOM 529 CA ASN A 35 -1.599 5.205 -8.342 1.00 0.00 C ATOM 530 C ASN A 35 -2.240 4.119 -7.495 1.00 0.00 C ATOM 531 O ASN A 35 -2.543 4.339 -6.323 1.00 0.00 O ATOM 532 CB ASN A 35 -2.686 6.120 -8.903 1.00 0.00 C ATOM 533 CG ASN A 35 -3.587 5.411 -9.890 1.00 0.00 C ATOM 534 OD1 ASN A 35 -4.297 4.470 -9.534 1.00 0.00 O ATOM 535 ND2 ASN A 35 -3.565 5.862 -11.138 1.00 0.00 N ATOM 0 H ASN A 35 -0.765 3.647 -9.496 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.932 5.778 -7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.288 6.510 -8.082 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.220 6.976 -9.391 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.153 5.426 -11.848 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.960 6.645 -11.387 1.00 0.00 H new ATOM 542 N GLY A 36 -2.444 2.949 -8.078 1.00 0.00 N ATOM 543 CA GLY A 36 -3.044 1.862 -7.332 1.00 0.00 C ATOM 544 C GLY A 36 -3.603 0.771 -8.218 1.00 0.00 C ATOM 545 O GLY A 36 -3.226 -0.393 -8.090 1.00 0.00 O ATOM 0 H GLY A 36 -2.208 2.732 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.297 1.432 -6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.843 2.257 -6.705 1.00 0.00 H new ATOM 549 N ASN A 37 -4.507 1.145 -9.118 1.00 0.00 N ATOM 550 CA ASN A 37 -5.123 0.182 -10.027 1.00 0.00 C ATOM 551 C ASN A 37 -4.062 -0.667 -10.709 1.00 0.00 C ATOM 552 O ASN A 37 -4.274 -1.848 -10.988 1.00 0.00 O ATOM 553 CB ASN A 37 -5.972 0.901 -11.071 1.00 0.00 C ATOM 554 CG ASN A 37 -7.328 0.245 -11.251 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.071 0.114 -10.156 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.700 -0.142 -12.357 1.00 0.00 N flip ATOM 0 H ASN A 37 -4.829 2.105 -9.238 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.768 -0.474 -9.442 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.109 1.941 -10.773 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.444 0.909 -12.024 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.096 -0.020 -13.170 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.613 -0.585 -12.462 1.00 0.00 H new ATOM 563 N GLU A 38 -2.919 -0.050 -10.971 1.00 0.00 N ATOM 564 CA GLU A 38 -1.811 -0.731 -11.615 1.00 0.00 C ATOM 565 C GLU A 38 -1.427 -2.008 -10.865 1.00 0.00 C ATOM 566 O GLU A 38 -1.338 -3.079 -11.464 1.00 0.00 O ATOM 567 CB GLU A 38 -0.613 0.208 -11.702 1.00 0.00 C ATOM 568 CG GLU A 38 0.167 0.084 -13.000 1.00 0.00 C ATOM 569 CD GLU A 38 0.726 -1.309 -13.215 1.00 0.00 C ATOM 570 OE1 GLU A 38 -0.035 -2.190 -13.668 1.00 0.00 O ATOM 571 OE2 GLU A 38 1.925 -1.519 -12.933 1.00 0.00 O ATOM 0 H GLU A 38 -2.736 0.928 -10.745 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.124 -1.018 -12.619 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.959 1.236 -11.593 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.056 0.007 -10.866 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.483 0.344 -13.836 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.986 0.803 -12.997 1.00 0.00 H new ATOM 578 N VAL A 39 -1.196 -1.899 -9.553 1.00 0.00 N ATOM 579 CA VAL A 39 -0.820 -3.071 -8.762 1.00 0.00 C ATOM 580 C VAL A 39 -1.877 -4.166 -8.869 1.00 0.00 C ATOM 581 O VAL A 39 -1.549 -5.345 -8.989 1.00 0.00 O ATOM 582 CB VAL A 39 -0.589 -2.720 -7.273 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.455 -3.983 -6.431 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.646 -1.852 -7.126 1.00 0.00 C ATOM 0 H VAL A 39 -1.261 -1.028 -9.026 1.00 0.00 H new ATOM 0 HA VAL A 39 0.121 -3.435 -9.175 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.455 -2.164 -6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.293 -3.710 -5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.367 -4.574 -6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.391 -4.570 -6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.798 -1.611 -6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.515 -2.389 -7.505 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.513 -0.931 -7.693 1.00 0.00 H new ATOM 594 N LEU A 40 -3.143 -3.772 -8.837 1.00 0.00 N ATOM 595 CA LEU A 40 -4.237 -4.729 -8.943 1.00 0.00 C ATOM 596 C LEU A 40 -4.062 -5.603 -10.182 1.00 0.00 C ATOM 597 O LEU A 40 -4.292 -6.811 -10.145 1.00 0.00 O ATOM 598 CB LEU A 40 -5.574 -3.990 -9.002 1.00 0.00 C ATOM 599 CG LEU A 40 -5.757 -2.884 -7.955 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.167 -2.316 -8.014 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.462 -3.411 -6.558 1.00 0.00 C ATOM 0 H LEU A 40 -3.438 -2.800 -8.739 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.227 -5.371 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.685 -3.551 -9.994 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.378 -4.717 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.051 -2.085 -8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.276 -1.533 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.350 -1.898 -9.004 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.888 -3.110 -7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.598 -2.610 -5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.143 -4.230 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.434 -3.770 -6.514 1.00 0.00 H new ATOM 613 N ALA A 41 -3.639 -4.979 -11.278 1.00 0.00 N ATOM 614 CA ALA A 41 -3.417 -5.694 -12.531 1.00 0.00 C ATOM 615 C ALA A 41 -2.110 -6.469 -12.493 1.00 0.00 C ATOM 616 O ALA A 41 -2.061 -7.652 -12.828 1.00 0.00 O ATOM 617 CB ALA A 41 -3.417 -4.726 -13.703 1.00 0.00 C ATOM 0 H ALA A 41 -3.443 -3.979 -11.324 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.233 -6.405 -12.661 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.250 -5.276 -14.629 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.378 -4.215 -13.753 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.622 -3.992 -13.569 1.00 0.00 H new ATOM 623 N ALA A 42 -1.054 -5.792 -12.078 1.00 0.00 N ATOM 624 CA ALA A 42 0.264 -6.407 -11.983 1.00 0.00 C ATOM 625 C ALA A 42 0.251 -7.561 -10.989 1.00 0.00 C ATOM 626 O ALA A 42 1.069 -8.477 -11.071 1.00 0.00 O ATOM 627 CB ALA A 42 1.309 -5.372 -11.585 1.00 0.00 C ATOM 0 H ALA A 42 -1.081 -4.811 -11.799 1.00 0.00 H new ATOM 0 HA ALA A 42 0.526 -6.804 -12.964 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.287 -5.849 -11.519 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.341 -4.581 -12.334 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.048 -4.945 -10.617 1.00 0.00 H new ATOM 633 N LEU A 43 -0.681 -7.500 -10.046 1.00 0.00 N ATOM 634 CA LEU A 43 -0.810 -8.525 -9.021 1.00 0.00 C ATOM 635 C LEU A 43 -1.284 -9.857 -9.599 1.00 0.00 C ATOM 636 O LEU A 43 -1.077 -10.910 -8.995 1.00 0.00 O ATOM 637 CB LEU A 43 -1.777 -8.054 -7.937 1.00 0.00 C ATOM 638 CG LEU A 43 -1.120 -7.309 -6.780 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.156 -6.544 -5.976 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.367 -8.282 -5.893 1.00 0.00 C ATOM 0 H LEU A 43 -1.363 -6.745 -9.971 1.00 0.00 H new ATOM 0 HA LEU A 43 0.178 -8.688 -8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.524 -7.404 -8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.307 -8.920 -7.540 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.411 -6.589 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.666 -6.020 -5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.656 -5.821 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.891 -7.241 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.098 -7.739 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.061 -9.022 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.403 -8.785 -6.477 1.00 0.00 H new ATOM 652 N ALA A 44 -1.924 -9.806 -10.759 1.00 0.00 N ATOM 653 CA ALA A 44 -2.429 -11.014 -11.402 1.00 0.00 C ATOM 654 C ALA A 44 -1.306 -12.002 -11.711 1.00 0.00 C ATOM 655 O ALA A 44 -1.562 -13.179 -11.966 1.00 0.00 O ATOM 656 CB ALA A 44 -3.187 -10.659 -12.674 1.00 0.00 C ATOM 0 H ALA A 44 -2.106 -8.945 -11.274 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.112 -11.499 -10.704 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.558 -11.570 -13.143 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.027 -10.010 -12.428 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.519 -10.142 -13.363 1.00 0.00 H new ATOM 662 N SER A 45 -0.065 -11.522 -11.698 1.00 0.00 N ATOM 663 CA SER A 45 1.077 -12.372 -11.986 1.00 0.00 C ATOM 664 C SER A 45 2.082 -12.394 -10.830 1.00 0.00 C ATOM 665 O SER A 45 3.072 -13.123 -10.881 1.00 0.00 O ATOM 666 CB SER A 45 1.765 -11.911 -13.273 1.00 0.00 C ATOM 667 OG SER A 45 3.040 -12.512 -13.413 1.00 0.00 O ATOM 0 H SER A 45 0.171 -10.551 -11.491 1.00 0.00 H new ATOM 0 HA SER A 45 0.705 -13.388 -12.116 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.144 -12.164 -14.132 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.870 -10.826 -13.264 1.00 0.00 H new ATOM 0 HG SER A 45 3.184 -13.149 -12.682 1.00 0.00 H new ATOM 673 N LYS A 46 1.824 -11.606 -9.787 1.00 0.00 N ATOM 674 CA LYS A 46 2.715 -11.560 -8.632 1.00 0.00 C ATOM 675 C LYS A 46 2.024 -10.942 -7.423 1.00 0.00 C ATOM 676 O LYS A 46 1.042 -10.217 -7.557 1.00 0.00 O ATOM 677 CB LYS A 46 3.979 -10.771 -8.958 1.00 0.00 C ATOM 678 CG LYS A 46 5.243 -11.379 -8.378 1.00 0.00 C ATOM 679 CD LYS A 46 6.046 -10.344 -7.610 1.00 0.00 C ATOM 680 CE LYS A 46 7.340 -10.924 -7.064 1.00 0.00 C ATOM 681 NZ LYS A 46 7.332 -10.985 -5.577 1.00 0.00 N ATOM 0 H LYS A 46 1.010 -10.995 -9.719 1.00 0.00 H new ATOM 0 HA LYS A 46 2.986 -12.587 -8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.084 -10.700 -10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.869 -9.754 -8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.982 -12.205 -7.717 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.852 -11.794 -9.181 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.273 -9.502 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.446 -9.956 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.489 -11.925 -7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.181 -10.316 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.305 -11.106 -5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.935 -10.103 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.751 -11.789 -5.266 1.00 0.00 H new ATOM 695 N THR A 47 2.550 -11.230 -6.237 1.00 0.00 N ATOM 696 CA THR A 47 1.988 -10.698 -5.007 1.00 0.00 C ATOM 697 C THR A 47 3.084 -10.268 -4.032 1.00 0.00 C ATOM 698 O THR A 47 3.823 -11.107 -3.517 1.00 0.00 O ATOM 699 CB THR A 47 1.075 -11.734 -4.348 1.00 0.00 C ATOM 700 OG1 THR A 47 -0.003 -12.067 -5.204 1.00 0.00 O ATOM 701 CG2 THR A 47 0.488 -11.269 -3.030 1.00 0.00 C ATOM 0 H THR A 47 3.365 -11.829 -6.105 1.00 0.00 H new ATOM 0 HA THR A 47 1.401 -9.816 -5.264 1.00 0.00 H new ATOM 0 HB THR A 47 1.712 -12.598 -4.157 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.575 -12.732 -4.766 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.149 -12.052 -2.619 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.294 -11.051 -2.329 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.104 -10.368 -3.193 1.00 0.00 H new ATOM 709 N PRO A 48 3.199 -8.957 -3.741 1.00 0.00 N ATOM 710 CA PRO A 48 4.201 -8.456 -2.803 1.00 0.00 C ATOM 711 C PRO A 48 3.802 -8.745 -1.360 1.00 0.00 C ATOM 712 O PRO A 48 2.635 -9.022 -1.078 1.00 0.00 O ATOM 713 CB PRO A 48 4.208 -6.949 -3.073 1.00 0.00 C ATOM 714 CG PRO A 48 2.823 -6.650 -3.530 1.00 0.00 C ATOM 715 CD PRO A 48 2.357 -7.868 -4.282 1.00 0.00 C ATOM 0 HA PRO A 48 5.177 -8.924 -2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.461 -6.385 -2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.943 -6.685 -3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.170 -6.442 -2.683 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.806 -5.767 -4.170 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.297 -8.061 -4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.494 -7.752 -5.357 1.00 0.00 H new ATOM 723 N ASP A 49 4.763 -8.690 -0.446 1.00 0.00 N ATOM 724 CA ASP A 49 4.484 -8.953 0.960 1.00 0.00 C ATOM 725 C ASP A 49 3.731 -7.786 1.595 1.00 0.00 C ATOM 726 O ASP A 49 3.075 -7.948 2.623 1.00 0.00 O ATOM 727 CB ASP A 49 5.780 -9.219 1.726 1.00 0.00 C ATOM 728 CG ASP A 49 6.503 -10.461 1.235 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.807 -10.533 0.025 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.765 -11.361 2.060 1.00 0.00 O ATOM 0 H ASP A 49 5.737 -8.467 -0.651 1.00 0.00 H new ATOM 0 HA ASP A 49 3.855 -9.841 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.439 -8.357 1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.555 -9.329 2.787 1.00 0.00 H new ATOM 735 N VAL A 50 3.830 -6.609 0.979 1.00 0.00 N ATOM 736 CA VAL A 50 3.158 -5.420 1.485 1.00 0.00 C ATOM 737 C VAL A 50 2.771 -4.495 0.329 1.00 0.00 C ATOM 738 O VAL A 50 3.232 -4.677 -0.797 1.00 0.00 O ATOM 739 CB VAL A 50 4.065 -4.673 2.480 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.389 -4.330 1.822 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.382 -3.426 3.022 1.00 0.00 C ATOM 0 H VAL A 50 4.371 -6.456 0.128 1.00 0.00 H new ATOM 0 HA VAL A 50 2.251 -5.731 2.004 1.00 0.00 H new ATOM 0 HB VAL A 50 4.259 -5.330 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.023 -3.802 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.886 -5.247 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.210 -3.695 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.048 -2.921 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.145 -2.754 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.463 -3.709 3.536 1.00 0.00 H new ATOM 751 N LEU A 51 1.918 -3.511 0.603 1.00 0.00 N ATOM 752 CA LEU A 51 1.474 -2.579 -0.429 1.00 0.00 C ATOM 753 C LEU A 51 1.084 -1.231 0.176 1.00 0.00 C ATOM 754 O LEU A 51 0.332 -1.172 1.144 1.00 0.00 O ATOM 755 CB LEU A 51 0.283 -3.176 -1.191 1.00 0.00 C ATOM 756 CG LEU A 51 -0.075 -2.479 -2.505 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.007 -2.709 -3.545 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.415 -2.976 -3.024 1.00 0.00 C ATOM 0 H LEU A 51 1.522 -3.339 1.527 1.00 0.00 H new ATOM 0 HA LEU A 51 2.301 -2.414 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.498 -4.224 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.590 -3.155 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.150 -1.409 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.733 -2.205 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.953 -2.309 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.112 -3.778 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.654 -2.469 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.362 -4.051 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.191 -2.764 -2.289 1.00 0.00 H new ATOM 770 N LEU A 52 1.604 -0.150 -0.401 1.00 0.00 N ATOM 771 CA LEU A 52 1.309 1.196 0.085 1.00 0.00 C ATOM 772 C LEU A 52 0.478 1.964 -0.938 1.00 0.00 C ATOM 773 O LEU A 52 0.900 2.143 -2.079 1.00 0.00 O ATOM 774 CB LEU A 52 2.606 1.957 0.369 1.00 0.00 C ATOM 775 CG LEU A 52 2.720 2.566 1.763 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.183 2.757 2.136 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.976 3.891 1.821 1.00 0.00 C ATOM 0 H LEU A 52 2.231 -0.180 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 52 0.738 1.106 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.445 1.278 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.706 2.755 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 52 2.267 1.884 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.250 3.192 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.690 1.792 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.658 3.424 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.065 4.315 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.405 4.581 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.924 3.728 1.589 1.00 0.00 H new ATOM 789 N SER A 53 -0.702 2.413 -0.528 1.00 0.00 N ATOM 790 CA SER A 53 -1.582 3.154 -1.424 1.00 0.00 C ATOM 791 C SER A 53 -1.605 4.643 -1.081 1.00 0.00 C ATOM 792 O SER A 53 -1.780 5.023 0.077 1.00 0.00 O ATOM 793 CB SER A 53 -2.997 2.577 -1.370 1.00 0.00 C ATOM 794 OG SER A 53 -3.139 1.489 -2.267 1.00 0.00 O ATOM 0 H SER A 53 -1.070 2.278 0.414 1.00 0.00 H new ATOM 0 HA SER A 53 -1.192 3.051 -2.437 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.220 2.247 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.720 3.354 -1.619 1.00 0.00 H new ATOM 0 HG SER A 53 -4.052 1.137 -2.212 1.00 0.00 H new ATOM 800 N ASP A 54 -1.423 5.483 -2.100 1.00 0.00 N ATOM 801 CA ASP A 54 -1.417 6.931 -1.916 1.00 0.00 C ATOM 802 C ASP A 54 -2.824 7.472 -1.670 1.00 0.00 C ATOM 803 O ASP A 54 -2.988 8.550 -1.102 1.00 0.00 O ATOM 804 CB ASP A 54 -0.811 7.620 -3.139 1.00 0.00 C ATOM 805 CG ASP A 54 -0.567 9.099 -2.910 1.00 0.00 C ATOM 806 OD1 ASP A 54 0.224 9.439 -2.005 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.164 9.918 -3.640 1.00 0.00 O ATOM 0 H ASP A 54 -1.277 5.182 -3.064 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.809 7.146 -1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.131 7.135 -3.396 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.478 7.493 -3.992 1.00 0.00 H new ATOM 812 N ILE A 55 -3.831 6.720 -2.106 1.00 0.00 N ATOM 813 CA ILE A 55 -5.232 7.118 -1.942 1.00 0.00 C ATOM 814 C ILE A 55 -5.448 8.597 -2.282 1.00 0.00 C ATOM 815 O ILE A 55 -5.178 9.482 -1.473 1.00 0.00 O ATOM 816 CB ILE A 55 -5.734 6.830 -0.506 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.223 7.181 -0.373 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.900 7.575 0.528 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.498 8.575 0.149 1.00 0.00 C ATOM 0 H ILE A 55 -3.704 5.825 -2.579 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.812 6.519 -2.644 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.618 5.763 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.697 7.073 -1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.695 6.458 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.276 7.353 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.860 7.258 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.967 8.647 0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.574 8.735 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.058 8.686 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.060 9.310 -0.527 1.00 0.00 H new ATOM 831 N ARG A 56 -5.933 8.856 -3.494 1.00 0.00 N ATOM 832 CA ARG A 56 -6.175 10.225 -3.943 1.00 0.00 C ATOM 833 C ARG A 56 -7.442 10.322 -4.797 1.00 0.00 C ATOM 834 O ARG A 56 -7.452 10.992 -5.830 1.00 0.00 O ATOM 835 CB ARG A 56 -4.973 10.735 -4.738 1.00 0.00 C ATOM 836 CG ARG A 56 -4.493 9.763 -5.800 1.00 0.00 C ATOM 837 CD ARG A 56 -3.708 10.475 -6.886 1.00 0.00 C ATOM 838 NE ARG A 56 -4.585 11.120 -7.859 1.00 0.00 N ATOM 839 CZ ARG A 56 -4.155 11.700 -8.974 1.00 0.00 C ATOM 840 NH1 ARG A 56 -2.858 11.721 -9.259 1.00 0.00 N ATOM 841 NH2 ARG A 56 -5.020 12.261 -9.806 1.00 0.00 N ATOM 0 H ARG A 56 -6.166 8.139 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.318 10.845 -3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.236 11.680 -5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.154 10.942 -4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.868 8.998 -5.340 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.349 9.253 -6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.057 11.223 -6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.064 9.759 -7.397 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.588 11.126 -7.671 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.189 11.291 -8.621 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.531 12.167 -10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.017 12.248 -9.591 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.689 12.706 -10.662 1.00 0.00 H new ATOM 855 N MET A 57 -8.509 9.662 -4.354 1.00 0.00 N ATOM 856 CA MET A 57 -9.786 9.685 -5.068 1.00 0.00 C ATOM 857 C MET A 57 -9.674 9.158 -6.502 1.00 0.00 C ATOM 858 O MET A 57 -10.181 9.777 -7.437 1.00 0.00 O ATOM 859 CB MET A 57 -10.366 11.101 -5.082 1.00 0.00 C ATOM 860 CG MET A 57 -11.887 11.133 -5.124 1.00 0.00 C ATOM 861 SD MET A 57 -12.527 12.510 -6.097 1.00 0.00 S ATOM 862 CE MET A 57 -13.937 11.748 -6.900 1.00 0.00 C ATOM 0 H MET A 57 -8.516 9.102 -3.501 1.00 0.00 H new ATOM 0 HA MET A 57 -10.456 9.016 -4.527 1.00 0.00 H new ATOM 0 HB2 MET A 57 -10.024 11.634 -4.195 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.975 11.637 -5.947 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.255 10.196 -5.542 1.00 0.00 H new ATOM 0 HG3 MET A 57 -12.273 11.201 -4.107 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.433 12.481 -7.536 1.00 0.00 H new ATOM 0 HE2 MET A 57 -13.600 10.909 -7.508 1.00 0.00 H new ATOM 0 HE3 MET A 57 -14.637 11.390 -6.144 1.00 0.00 H new ATOM 872 N PRO A 58 -9.028 7.995 -6.696 1.00 0.00 N ATOM 873 CA PRO A 58 -8.884 7.390 -8.024 1.00 0.00 C ATOM 874 C PRO A 58 -10.228 6.901 -8.581 1.00 0.00 C ATOM 875 O PRO A 58 -10.845 7.573 -9.407 1.00 0.00 O ATOM 876 CB PRO A 58 -7.930 6.218 -7.783 1.00 0.00 C ATOM 877 CG PRO A 58 -8.080 5.888 -6.336 1.00 0.00 C ATOM 878 CD PRO A 58 -8.401 7.181 -5.642 1.00 0.00 C ATOM 0 HA PRO A 58 -8.514 8.100 -8.764 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.187 5.365 -8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.902 6.491 -8.021 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.874 5.157 -6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.164 5.450 -5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.076 7.027 -4.800 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.503 7.658 -5.248 1.00 0.00 H new ATOM 886 N GLY A 59 -10.680 5.734 -8.116 1.00 0.00 N ATOM 887 CA GLY A 59 -11.948 5.188 -8.571 1.00 0.00 C ATOM 888 C GLY A 59 -13.027 5.269 -7.505 1.00 0.00 C ATOM 889 O GLY A 59 -14.218 5.301 -7.817 1.00 0.00 O ATOM 0 H GLY A 59 -10.189 5.159 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.276 5.729 -9.459 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.808 4.148 -8.865 1.00 0.00 H new ATOM 893 N MET A 60 -12.604 5.305 -6.244 1.00 0.00 N ATOM 894 CA MET A 60 -13.528 5.387 -5.118 1.00 0.00 C ATOM 895 C MET A 60 -12.817 5.930 -3.884 1.00 0.00 C ATOM 896 O MET A 60 -12.652 5.224 -2.883 1.00 0.00 O ATOM 897 CB MET A 60 -14.126 4.016 -4.805 1.00 0.00 C ATOM 898 CG MET A 60 -15.439 4.084 -4.043 1.00 0.00 C ATOM 899 SD MET A 60 -16.769 3.186 -4.866 1.00 0.00 S ATOM 900 CE MET A 60 -18.204 3.998 -4.167 1.00 0.00 C ATOM 0 H MET A 60 -11.620 5.278 -5.976 1.00 0.00 H new ATOM 0 HA MET A 60 -14.334 6.067 -5.394 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.285 3.477 -5.739 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.407 3.440 -4.223 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.295 3.676 -3.043 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.731 5.127 -3.923 1.00 0.00 H new ATOM 0 HE1 MET A 60 -19.110 3.553 -4.579 1.00 0.00 H new ATOM 0 HE2 MET A 60 -18.200 3.876 -3.084 1.00 0.00 H new ATOM 0 HE3 MET A 60 -18.177 5.060 -4.412 1.00 0.00 H new ATOM 910 N ASP A 61 -12.383 7.185 -3.971 1.00 0.00 N ATOM 911 CA ASP A 61 -11.682 7.852 -2.874 1.00 0.00 C ATOM 912 C ASP A 61 -10.281 7.282 -2.661 1.00 0.00 C ATOM 913 O ASP A 61 -9.427 7.928 -2.060 1.00 0.00 O ATOM 914 CB ASP A 61 -12.485 7.729 -1.585 1.00 0.00 C ATOM 915 CG ASP A 61 -12.908 9.077 -1.035 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.020 9.856 -0.630 1.00 0.00 O ATOM 917 OD2 ASP A 61 -14.126 9.352 -1.010 1.00 0.00 O ATOM 0 H ASP A 61 -12.506 7.767 -4.800 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.579 8.903 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.371 7.121 -1.769 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.889 7.206 -0.837 1.00 0.00 H new ATOM 922 N GLY A 62 -10.066 6.063 -3.136 1.00 0.00 N ATOM 923 CA GLY A 62 -8.789 5.404 -2.976 1.00 0.00 C ATOM 924 C GLY A 62 -8.988 4.010 -2.442 1.00 0.00 C ATOM 925 O GLY A 62 -8.217 3.097 -2.737 1.00 0.00 O ATOM 0 H GLY A 62 -10.765 5.514 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.269 5.364 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.159 5.976 -2.295 1.00 0.00 H new ATOM 929 N LEU A 63 -10.052 3.853 -1.670 1.00 0.00 N ATOM 930 CA LEU A 63 -10.393 2.570 -1.106 1.00 0.00 C ATOM 931 C LEU A 63 -10.883 1.638 -2.207 1.00 0.00 C ATOM 932 O LEU A 63 -10.942 0.422 -2.022 1.00 0.00 O ATOM 933 CB LEU A 63 -11.453 2.707 -0.010 1.00 0.00 C ATOM 934 CG LEU A 63 -11.300 3.921 0.911 1.00 0.00 C ATOM 935 CD1 LEU A 63 -12.084 5.113 0.378 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.743 3.569 2.321 1.00 0.00 C ATOM 0 H LEU A 63 -10.693 4.607 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.498 2.148 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.434 2.753 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.436 1.805 0.602 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.247 4.202 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.958 5.961 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.715 5.378 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.141 4.854 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.629 4.440 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.789 3.261 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.129 2.753 2.702 1.00 0.00 H new ATOM 948 N ALA A 64 -11.227 2.214 -3.364 1.00 0.00 N ATOM 949 CA ALA A 64 -11.705 1.422 -4.494 1.00 0.00 C ATOM 950 C ALA A 64 -10.713 0.316 -4.819 1.00 0.00 C ATOM 951 O ALA A 64 -11.096 -0.768 -5.251 1.00 0.00 O ATOM 952 CB ALA A 64 -11.915 2.307 -5.718 1.00 0.00 C ATOM 0 H ALA A 64 -11.183 3.218 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.660 0.974 -4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.271 1.699 -6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.653 3.076 -5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.972 2.779 -5.992 1.00 0.00 H new ATOM 958 N LEU A 65 -9.437 0.597 -4.588 1.00 0.00 N ATOM 959 CA LEU A 65 -8.383 -0.374 -4.833 1.00 0.00 C ATOM 960 C LEU A 65 -8.587 -1.605 -3.964 1.00 0.00 C ATOM 961 O LEU A 65 -8.433 -2.739 -4.416 1.00 0.00 O ATOM 962 CB LEU A 65 -7.020 0.248 -4.529 1.00 0.00 C ATOM 963 CG LEU A 65 -6.060 0.314 -5.712 1.00 0.00 C ATOM 964 CD1 LEU A 65 -6.209 1.643 -6.432 1.00 0.00 C ATOM 965 CD2 LEU A 65 -4.626 0.108 -5.247 1.00 0.00 C ATOM 0 H LEU A 65 -9.108 1.494 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.419 -0.670 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.175 1.258 -4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.548 -0.323 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.307 -0.486 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.519 1.680 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.231 1.747 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.984 2.457 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.955 0.158 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.360 0.886 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.534 -0.868 -4.771 1.00 0.00 H new ATOM 977 N LEU A 66 -8.925 -1.360 -2.705 1.00 0.00 N ATOM 978 CA LEU A 66 -9.148 -2.422 -1.735 1.00 0.00 C ATOM 979 C LEU A 66 -10.240 -3.377 -2.209 1.00 0.00 C ATOM 980 O LEU A 66 -10.086 -4.595 -2.144 1.00 0.00 O ATOM 981 CB LEU A 66 -9.510 -1.813 -0.378 1.00 0.00 C ATOM 982 CG LEU A 66 -8.364 -1.074 0.330 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.104 -1.926 0.353 1.00 0.00 C ATOM 984 CD2 LEU A 66 -8.088 0.266 -0.334 1.00 0.00 C ATOM 0 H LEU A 66 -9.052 -0.421 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.229 -2.999 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.338 -1.118 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.868 -2.608 0.276 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.672 -0.888 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.306 -1.382 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.303 -2.856 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.798 -2.151 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.273 0.769 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.810 0.105 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.984 0.886 -0.289 1.00 0.00 H new ATOM 996 N LYS A 67 -11.340 -2.821 -2.701 1.00 0.00 N ATOM 997 CA LYS A 67 -12.442 -3.638 -3.201 1.00 0.00 C ATOM 998 C LYS A 67 -11.943 -4.603 -4.279 1.00 0.00 C ATOM 999 O LYS A 67 -12.237 -5.801 -4.251 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.550 -2.753 -3.771 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.271 -1.926 -2.719 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.777 -2.110 -2.802 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.207 -3.440 -2.204 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.624 -3.414 -1.749 1.00 0.00 N ATOM 0 H LYS A 67 -11.494 -1.815 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.845 -4.214 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.121 -2.083 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.276 -3.381 -4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.922 -2.213 -1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.024 -0.873 -2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.274 -1.295 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.095 -2.058 -3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.078 -4.229 -2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.560 -3.685 -1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.877 -4.340 -1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.742 -2.678 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.244 -3.206 -2.557 1.00 0.00 H new ATOM 1018 N GLN A 68 -11.175 -4.069 -5.227 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.626 -4.878 -6.309 1.00 0.00 C ATOM 1020 C GLN A 68 -9.738 -5.984 -5.751 1.00 0.00 C ATOM 1021 O GLN A 68 -9.612 -7.054 -6.347 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.808 -4.019 -7.283 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.452 -2.690 -7.650 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.527 -2.830 -8.710 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -11.424 -3.664 -9.608 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -12.565 -2.007 -8.611 1.00 0.00 N ATOM 0 H GLN A 68 -10.920 -3.082 -5.266 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.465 -5.319 -6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.830 -3.825 -6.842 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.638 -4.590 -8.196 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.886 -2.243 -6.756 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.683 -2.005 -8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.609 -1.330 -7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.318 -2.052 -9.297 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.117 -5.718 -4.604 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.235 -6.691 -3.971 1.00 0.00 C ATOM 1037 C ILE A 69 -8.965 -8.000 -3.700 1.00 0.00 C ATOM 1038 O ILE A 69 -8.473 -9.082 -4.017 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.648 -6.150 -2.646 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.675 -4.999 -2.923 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.961 -7.262 -1.860 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.058 -4.406 -1.674 1.00 0.00 C ATOM 0 H ILE A 69 -9.209 -4.838 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.417 -6.874 -4.668 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.469 -5.769 -2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.879 -5.358 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.201 -4.213 -3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.557 -6.856 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.684 -8.044 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.151 -7.682 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.381 -3.598 -1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.845 -4.015 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.502 -5.178 -1.141 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.134 -7.883 -3.100 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.946 -9.047 -2.758 1.00 0.00 C ATOM 1056 C LYS A 70 -11.385 -9.820 -3.995 1.00 0.00 C ATOM 1057 O LYS A 70 -11.520 -11.043 -3.960 1.00 0.00 O ATOM 1058 CB LYS A 70 -12.163 -8.615 -1.935 1.00 0.00 C ATOM 1059 CG LYS A 70 -13.206 -7.834 -2.722 1.00 0.00 C ATOM 1060 CD LYS A 70 -14.618 -8.281 -2.375 1.00 0.00 C ATOM 1061 CE LYS A 70 -15.638 -7.745 -3.370 1.00 0.00 C ATOM 1062 NZ LYS A 70 -17.039 -7.992 -2.924 1.00 0.00 N ATOM 0 H LYS A 70 -10.549 -6.990 -2.836 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.328 -9.718 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.634 -9.502 -1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.823 -8.004 -1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.099 -6.770 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.033 -7.968 -3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.662 -9.370 -2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.872 -7.938 -1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.484 -6.674 -3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.479 -8.215 -4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.700 -7.611 -3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.195 -9.015 -2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.200 -7.522 -2.010 1.00 0.00 H new ATOM 1076 N GLN A 71 -11.618 -9.104 -5.081 1.00 0.00 N ATOM 1077 CA GLN A 71 -12.054 -9.728 -6.323 1.00 0.00 C ATOM 1078 C GLN A 71 -10.927 -10.499 -6.998 1.00 0.00 C ATOM 1079 O GLN A 71 -11.163 -11.508 -7.663 1.00 0.00 O ATOM 1080 CB GLN A 71 -12.608 -8.671 -7.277 1.00 0.00 C ATOM 1081 CG GLN A 71 -14.065 -8.330 -7.024 1.00 0.00 C ATOM 1082 CD GLN A 71 -14.399 -6.900 -7.400 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -15.207 -6.654 -8.296 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.774 -5.949 -6.719 1.00 0.00 N ATOM 0 H GLN A 71 -11.513 -8.091 -5.130 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.840 -10.441 -6.073 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.010 -7.764 -7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.499 -9.025 -8.302 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.698 -9.010 -7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.294 -8.489 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.112 -6.199 -5.984 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.955 -4.968 -6.930 1.00 0.00 H new ATOM 1093 N ARG A 72 -9.708 -10.008 -6.846 1.00 0.00 N ATOM 1094 CA ARG A 72 -8.548 -10.641 -7.470 1.00 0.00 C ATOM 1095 C ARG A 72 -7.644 -11.332 -6.455 1.00 0.00 C ATOM 1096 O ARG A 72 -7.484 -12.554 -6.477 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.750 -9.600 -8.258 1.00 0.00 C ATOM 1098 CG ARG A 72 -8.510 -9.036 -9.449 1.00 0.00 C ATOM 1099 CD ARG A 72 -7.947 -7.697 -9.896 1.00 0.00 C ATOM 1100 NE ARG A 72 -7.667 -7.677 -11.329 1.00 0.00 N ATOM 1101 CZ ARG A 72 -7.345 -6.579 -12.005 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -7.267 -5.407 -11.388 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -7.103 -6.649 -13.305 1.00 0.00 N ATOM 0 H ARG A 72 -9.492 -9.175 -6.298 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.922 -11.412 -8.144 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.474 -8.783 -7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.822 -10.052 -8.609 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.465 -9.744 -10.277 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.561 -8.919 -9.187 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.656 -6.905 -9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.031 -7.485 -9.344 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.722 -8.557 -11.841 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.455 -5.344 -10.387 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.019 -4.569 -11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.164 -7.546 -13.788 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.856 -5.806 -13.824 1.00 0.00 H new ATOM 1117 N HIS A 73 -7.039 -10.540 -5.592 1.00 0.00 N ATOM 1118 CA HIS A 73 -6.119 -11.060 -4.578 1.00 0.00 C ATOM 1119 C HIS A 73 -6.869 -11.597 -3.356 1.00 0.00 C ATOM 1120 O HIS A 73 -8.075 -11.391 -3.219 1.00 0.00 O ATOM 1121 CB HIS A 73 -5.127 -9.973 -4.153 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.995 -8.861 -5.148 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.196 -7.532 -5.014 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -4.649 -9.064 -6.467 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -4.973 -6.958 -6.242 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -4.644 -7.904 -7.102 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.163 -9.528 -5.566 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.572 -11.891 -5.024 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.443 -9.558 -3.196 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.149 -10.427 -3.996 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.418 -10.021 -6.912 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.054 -5.905 -6.467 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.424 -7.764 -8.088 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.160 -12.306 -2.454 1.00 0.00 N ATOM 1136 CA PRO A 74 -6.756 -12.880 -1.252 1.00 0.00 C ATOM 1137 C PRO A 74 -6.834 -11.890 -0.089 1.00 0.00 C ATOM 1138 O PRO A 74 -7.921 -11.465 0.303 1.00 0.00 O ATOM 1139 CB PRO A 74 -5.815 -14.038 -0.910 1.00 0.00 C ATOM 1140 CG PRO A 74 -4.493 -13.696 -1.526 1.00 0.00 C ATOM 1141 CD PRO A 74 -4.721 -12.605 -2.548 1.00 0.00 C ATOM 0 HA PRO A 74 -7.789 -13.182 -1.422 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.722 -14.159 0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.197 -14.980 -1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.792 -13.361 -0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.054 -14.575 -1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.118 -11.724 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.449 -12.937 -3.550 1.00 0.00 H new ATOM 1149 N MET A 75 -5.679 -11.531 0.461 1.00 0.00 N ATOM 1150 CA MET A 75 -5.623 -10.597 1.579 1.00 0.00 C ATOM 1151 C MET A 75 -4.311 -9.817 1.568 1.00 0.00 C ATOM 1152 O MET A 75 -3.655 -9.672 2.599 1.00 0.00 O ATOM 1153 CB MET A 75 -5.770 -11.347 2.906 1.00 0.00 C ATOM 1154 CG MET A 75 -7.167 -11.891 3.146 1.00 0.00 C ATOM 1155 SD MET A 75 -7.290 -12.852 4.668 1.00 0.00 S ATOM 1156 CE MET A 75 -6.253 -14.259 4.274 1.00 0.00 C ATOM 0 H MET A 75 -4.769 -11.873 0.151 1.00 0.00 H new ATOM 0 HA MET A 75 -6.448 -9.892 1.474 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.059 -12.173 2.927 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.505 -10.677 3.724 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.873 -11.062 3.187 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.459 -12.516 2.302 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.499 -15.089 4.936 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.423 -14.558 3.240 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.206 -13.987 4.406 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.931 -9.322 0.397 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.693 -8.566 0.254 1.00 0.00 C ATOM 1168 C LEU A 76 -2.667 -7.364 1.196 1.00 0.00 C ATOM 1169 O LEU A 76 -3.463 -6.438 1.049 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.520 -8.090 -1.188 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.221 -7.332 -1.463 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.046 -8.296 -1.496 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.328 -6.559 -2.772 1.00 0.00 C ATOM 0 H LEU A 76 -4.462 -9.430 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.869 -9.230 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.566 -8.955 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.361 -7.447 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.052 -6.617 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.873 -7.743 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.035 -8.804 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.202 -9.033 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.396 -6.024 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.515 -7.254 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.150 -5.846 -2.707 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.743 -7.354 2.177 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.625 -6.247 3.127 1.00 0.00 C ATOM 1187 C PRO A 77 -1.329 -4.924 2.429 1.00 0.00 C ATOM 1188 O PRO A 77 -0.348 -4.795 1.698 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.460 -6.654 4.038 1.00 0.00 C ATOM 1190 CG PRO A 77 0.268 -7.723 3.298 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.747 -8.407 2.428 1.00 0.00 C ATOM 0 HA PRO A 77 -2.554 -6.083 3.673 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.192 -5.805 4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.822 -7.019 4.999 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.072 -7.299 2.696 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.726 -8.430 3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.303 -8.770 1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.190 -9.269 2.928 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.195 -3.950 2.664 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.062 -2.628 2.072 1.00 0.00 C ATOM 1201 C VAL A 78 -2.046 -1.550 3.150 1.00 0.00 C ATOM 1202 O VAL A 78 -2.607 -1.727 4.238 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.210 -2.322 1.086 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -2.860 -1.122 0.217 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.529 -3.535 0.221 1.00 0.00 C ATOM 0 H VAL A 78 -3.009 -4.054 3.270 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.118 -2.624 1.528 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.100 -2.082 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.680 -0.920 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.695 -0.250 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.954 -1.335 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.341 -3.290 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.645 -3.817 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.830 -4.367 0.858 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.403 -0.432 2.844 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.312 0.676 3.779 1.00 0.00 C ATOM 1217 C ILE A 79 -1.749 1.979 3.123 1.00 0.00 C ATOM 1218 O ILE A 79 -1.104 2.468 2.196 1.00 0.00 O ATOM 1219 CB ILE A 79 0.121 0.837 4.317 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.687 -0.518 4.749 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.142 1.822 5.475 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.944 -0.907 4.006 1.00 0.00 C ATOM 0 H ILE A 79 -0.936 -0.270 1.952 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.979 0.449 4.611 1.00 0.00 H new ATOM 0 HB ILE A 79 0.750 1.230 3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.899 -0.491 5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.071 -1.286 4.594 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.162 1.926 5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.221 2.792 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.500 1.455 6.276 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.291 -1.877 4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.732 -0.966 2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.717 -0.159 4.182 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.851 2.535 3.609 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.380 3.780 3.071 1.00 0.00 C ATOM 1236 C ILE A 80 -2.867 4.977 3.865 1.00 0.00 C ATOM 1237 O ILE A 80 -2.743 4.915 5.089 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.921 3.780 3.084 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.454 2.443 2.566 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.459 4.932 2.250 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -5.161 2.198 1.103 1.00 0.00 C ATOM 0 H ILE A 80 -3.396 2.142 4.376 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.036 3.861 2.040 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.262 3.913 4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.019 1.636 3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.532 2.406 2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.549 4.918 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.101 5.876 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.113 4.829 1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.569 1.231 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.620 2.984 0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.083 2.201 0.942 1.00 0.00 H new ATOM 1253 N MET A 81 -2.558 6.062 3.160 1.00 0.00 N ATOM 1254 CA MET A 81 -2.043 7.268 3.802 1.00 0.00 C ATOM 1255 C MET A 81 -3.167 8.099 4.421 1.00 0.00 C ATOM 1256 O MET A 81 -2.970 8.757 5.441 1.00 0.00 O ATOM 1257 CB MET A 81 -1.256 8.117 2.799 1.00 0.00 C ATOM 1258 CG MET A 81 -2.109 8.735 1.702 1.00 0.00 C ATOM 1259 SD MET A 81 -1.794 10.497 1.485 1.00 0.00 S ATOM 1260 CE MET A 81 -3.373 11.047 0.841 1.00 0.00 C ATOM 0 H MET A 81 -2.655 6.131 2.147 1.00 0.00 H new ATOM 0 HA MET A 81 -1.376 6.952 4.604 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.743 8.914 3.338 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.486 7.497 2.340 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.916 8.217 0.762 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.162 8.585 1.938 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.557 12.074 1.156 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.359 10.999 -0.248 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.166 10.403 1.222 1.00 0.00 H new ATOM 1270 N THR A 82 -4.341 8.077 3.793 1.00 0.00 N ATOM 1271 CA THR A 82 -5.484 8.847 4.285 1.00 0.00 C ATOM 1272 C THR A 82 -6.811 8.145 3.986 1.00 0.00 C ATOM 1273 O THR A 82 -6.968 7.503 2.947 1.00 0.00 O ATOM 1274 CB THR A 82 -5.473 10.240 3.658 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.189 10.833 3.789 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.490 11.182 4.268 1.00 0.00 C ATOM 0 H THR A 82 -4.526 7.538 2.947 1.00 0.00 H new ATOM 0 HA THR A 82 -5.394 8.931 5.368 1.00 0.00 H new ATOM 0 HB THR A 82 -5.734 10.092 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.236 11.777 3.529 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.428 12.153 3.776 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.491 10.772 4.136 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.284 11.301 5.332 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.768 8.278 4.901 1.00 0.00 N ATOM 1285 CA ALA A 83 -9.082 7.662 4.729 1.00 0.00 C ATOM 1286 C ALA A 83 -10.023 8.569 3.942 1.00 0.00 C ATOM 1287 O ALA A 83 -10.950 8.097 3.285 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.685 7.314 6.081 1.00 0.00 C ATOM 0 H ALA A 83 -7.659 8.805 5.767 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.949 6.744 4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.663 6.856 5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.031 6.615 6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.793 8.221 6.675 1.00 0.00 H new ATOM 1294 N HIS A 84 -9.773 9.874 4.007 1.00 0.00 N ATOM 1295 CA HIS A 84 -10.584 10.855 3.298 1.00 0.00 C ATOM 1296 C HIS A 84 -12.076 10.602 3.492 1.00 0.00 C ATOM 1297 O HIS A 84 -12.859 10.670 2.545 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.234 10.837 1.815 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.026 11.656 1.478 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.174 11.581 0.431 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -8.565 12.688 2.270 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -7.223 12.556 0.606 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -7.481 13.210 1.723 1.00 0.00 N flip ATOM 0 H HIS A 84 -9.008 10.277 4.549 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.363 11.838 3.713 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.064 9.807 1.502 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.085 11.207 1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.019 13.018 3.193 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.398 12.755 -0.062 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.937 13.986 2.100 1.00 0.00 H new ATOM 1312 N SER A 85 -12.462 10.324 4.734 1.00 0.00 N ATOM 1313 CA SER A 85 -13.860 10.076 5.066 1.00 0.00 C ATOM 1314 C SER A 85 -14.462 8.989 4.182 1.00 0.00 C ATOM 1315 O SER A 85 -15.078 9.278 3.157 1.00 0.00 O ATOM 1316 CB SER A 85 -14.666 11.366 4.922 1.00 0.00 C ATOM 1317 OG SER A 85 -14.357 12.279 5.962 1.00 0.00 O ATOM 0 H SER A 85 -11.824 10.265 5.528 1.00 0.00 H new ATOM 0 HA SER A 85 -13.902 9.731 6.099 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.455 11.825 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.731 11.137 4.940 1.00 0.00 H new ATOM 0 HG SER A 85 -14.884 13.097 5.847 1.00 0.00 H new ATOM 1323 N ASP A 86 -14.285 7.736 4.590 1.00 0.00 N ATOM 1324 CA ASP A 86 -14.813 6.603 3.839 1.00 0.00 C ATOM 1325 C ASP A 86 -14.405 5.285 4.488 1.00 0.00 C ATOM 1326 O ASP A 86 -14.144 4.297 3.803 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.304 6.643 2.396 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.415 6.884 1.394 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.327 6.036 1.303 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -15.371 7.920 0.698 1.00 0.00 O ATOM 0 H ASP A 86 -13.779 7.480 5.438 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.901 6.672 3.841 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.556 7.430 2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.808 5.701 2.163 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.351 5.272 5.813 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.964 4.076 6.552 1.00 0.00 C ATOM 1337 C LEU A 87 -14.731 2.840 6.081 1.00 0.00 C ATOM 1338 O LEU A 87 -14.289 1.713 6.294 1.00 0.00 O ATOM 1339 CB LEU A 87 -14.172 4.284 8.053 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.904 4.194 8.905 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.264 2.821 8.772 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.916 5.284 8.516 1.00 0.00 C ATOM 0 H LEU A 87 -14.571 6.077 6.400 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.906 3.903 6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.626 5.263 8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.885 3.541 8.411 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.184 4.342 9.948 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.364 2.778 9.386 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.967 2.058 9.105 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.001 2.641 7.729 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.022 5.202 9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.644 5.171 7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.374 6.261 8.669 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.887 3.050 5.455 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.706 1.943 4.973 1.00 0.00 C ATOM 1356 C ASP A 88 -15.870 0.926 4.201 1.00 0.00 C ATOM 1357 O ASP A 88 -15.777 -0.237 4.598 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.847 2.467 4.100 1.00 0.00 C ATOM 1359 CG ASP A 88 -17.363 3.361 2.976 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.905 4.486 3.268 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -17.436 2.934 1.805 1.00 0.00 O ATOM 0 H ASP A 88 -16.276 3.975 5.271 1.00 0.00 H new ATOM 0 HA ASP A 88 -17.128 1.437 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -18.392 1.623 3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.550 3.021 4.722 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.255 1.362 3.107 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.423 0.477 2.307 1.00 0.00 C ATOM 1368 C ALA A 89 -13.098 0.200 3.011 1.00 0.00 C ATOM 1369 O ALA A 89 -12.415 -0.779 2.708 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.189 1.064 0.924 1.00 0.00 C ATOM 0 H ALA A 89 -15.318 2.318 2.757 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.948 -0.471 2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.564 0.386 0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.146 1.199 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.689 2.028 1.018 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.741 1.071 3.951 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.500 0.926 4.700 1.00 0.00 C ATOM 1378 C ALA A 90 -11.490 -0.362 5.512 1.00 0.00 C ATOM 1379 O ALA A 90 -10.512 -1.110 5.487 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.285 2.125 5.610 1.00 0.00 C ATOM 0 H ALA A 90 -13.296 1.886 4.211 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.681 0.877 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.353 2.000 6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.232 3.033 5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.115 2.202 6.312 1.00 0.00 H new ATOM 1386 N VAL A 91 -12.579 -0.625 6.236 1.00 0.00 N ATOM 1387 CA VAL A 91 -12.662 -1.835 7.041 1.00 0.00 C ATOM 1388 C VAL A 91 -12.711 -3.064 6.151 1.00 0.00 C ATOM 1389 O VAL A 91 -12.054 -4.067 6.430 1.00 0.00 O ATOM 1390 CB VAL A 91 -13.870 -1.846 7.990 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -13.700 -2.959 9.015 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -14.028 -0.501 8.682 1.00 0.00 C ATOM 0 H VAL A 91 -13.402 -0.024 6.279 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.763 -1.852 7.657 1.00 0.00 H new ATOM 0 HB VAL A 91 -14.774 -2.029 7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.557 -2.967 9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.632 -3.919 8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.789 -2.789 9.589 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.890 -0.534 9.349 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.130 -0.282 9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.177 0.278 7.934 1.00 0.00 H new ATOM 1402 N SER A 92 -13.467 -2.976 5.060 1.00 0.00 N ATOM 1403 CA SER A 92 -13.554 -4.086 4.123 1.00 0.00 C ATOM 1404 C SER A 92 -12.180 -4.365 3.529 1.00 0.00 C ATOM 1405 O SER A 92 -11.949 -5.419 2.942 1.00 0.00 O ATOM 1406 CB SER A 92 -14.552 -3.794 3.000 1.00 0.00 C ATOM 1407 OG SER A 92 -15.838 -3.497 3.516 1.00 0.00 O ATOM 0 H SER A 92 -14.021 -2.158 4.807 1.00 0.00 H new ATOM 0 HA SER A 92 -13.906 -4.961 4.668 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.195 -2.955 2.403 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.615 -4.655 2.334 1.00 0.00 H new ATOM 0 HG SER A 92 -16.453 -3.313 2.776 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.268 -3.415 3.680 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.927 -3.570 3.159 1.00 0.00 C ATOM 1415 C ALA A 93 -9.100 -4.505 4.016 1.00 0.00 C ATOM 1416 O ALA A 93 -8.666 -5.559 3.563 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.243 -2.229 3.075 1.00 0.00 C ATOM 0 H ALA A 93 -11.437 -2.531 4.160 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.011 -4.004 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.235 -2.359 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.809 -1.573 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.190 -1.785 4.069 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.871 -4.091 5.252 1.00 0.00 N ATOM 1424 CA TYR A 94 -8.061 -4.864 6.193 1.00 0.00 C ATOM 1425 C TYR A 94 -8.385 -6.342 6.094 1.00 0.00 C ATOM 1426 O TYR A 94 -7.497 -7.195 6.067 1.00 0.00 O ATOM 1427 CB TYR A 94 -8.302 -4.389 7.632 1.00 0.00 C ATOM 1428 CG TYR A 94 -8.482 -2.895 7.767 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -7.541 -2.019 7.249 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -9.594 -2.363 8.410 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -7.699 -0.653 7.365 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -9.759 -0.995 8.531 1.00 0.00 C ATOM 1433 CZ TYR A 94 -8.809 -0.145 8.006 1.00 0.00 C ATOM 1434 OH TYR A 94 -8.970 1.218 8.121 1.00 0.00 O ATOM 0 H TYR A 94 -9.236 -3.218 5.633 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.014 -4.709 5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -9.188 -4.888 8.024 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.461 -4.700 8.252 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.670 -2.412 6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -10.340 -3.027 8.821 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.956 0.015 6.955 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -10.627 -0.595 9.034 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.873 1.634 7.239 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.666 -6.625 6.032 1.00 0.00 N ATOM 1445 CA GLN A 95 -10.149 -7.985 5.925 1.00 0.00 C ATOM 1446 C GLN A 95 -9.829 -8.580 4.553 1.00 0.00 C ATOM 1447 O GLN A 95 -9.315 -9.693 4.452 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.649 -7.993 6.192 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.407 -6.914 5.438 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.641 -7.431 4.726 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.810 -7.033 3.469 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -14.429 -8.187 5.295 1.00 0.00 N flip ATOM 0 H GLN A 95 -10.403 -5.920 6.054 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.645 -8.607 6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.053 -8.968 5.918 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.820 -7.866 7.261 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.701 -6.131 6.137 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.741 -6.455 4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -14.260 -8.467 6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -15.251 -8.533 4.800 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.138 -7.830 3.499 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.894 -8.269 2.136 1.00 0.00 C ATOM 1463 C GLN A 96 -8.418 -8.168 1.755 1.00 0.00 C ATOM 1464 O GLN A 96 -8.008 -8.655 0.703 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.737 -7.430 1.185 1.00 0.00 C ATOM 1466 CG GLN A 96 -12.184 -7.842 1.177 1.00 0.00 C ATOM 1467 CD GLN A 96 -13.098 -6.754 0.648 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -12.636 -5.703 0.202 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -14.400 -7.000 0.696 1.00 0.00 N ATOM 0 H GLN A 96 -10.563 -6.905 3.569 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.174 -9.320 2.062 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.664 -6.381 1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.333 -7.515 0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -12.300 -8.737 0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.488 -8.106 2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -14.738 -7.885 1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -15.063 -6.304 0.355 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.627 -7.527 2.606 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.213 -7.370 2.329 1.00 0.00 C ATOM 1480 C GLY A 97 -5.740 -5.950 2.569 1.00 0.00 C ATOM 1481 O GLY A 97 -5.609 -5.165 1.631 1.00 0.00 O ATOM 0 H GLY A 97 -7.940 -7.113 3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.643 -8.053 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.014 -7.648 1.294 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.488 -5.622 3.830 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.030 -4.289 4.192 1.00 0.00 C ATOM 1487 C ALA A 98 -4.545 -4.243 5.638 1.00 0.00 C ATOM 1488 O ALA A 98 -5.196 -4.762 6.543 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.132 -3.269 3.962 1.00 0.00 C ATOM 0 H ALA A 98 -5.593 -6.261 4.618 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.185 -4.038 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.773 -2.277 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.417 -3.272 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.998 -3.524 4.573 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.387 -3.626 5.852 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.823 -3.524 7.188 1.00 0.00 C ATOM 1497 C PHE A 99 -3.596 -2.513 8.025 1.00 0.00 C ATOM 1498 O PHE A 99 -4.048 -2.823 9.128 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.346 -3.131 7.129 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.711 -3.002 8.486 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.657 -4.091 9.343 1.00 0.00 C ATOM 1502 CD2 PHE A 99 -0.179 -1.793 8.908 1.00 0.00 C ATOM 1503 CE1 PHE A 99 -0.082 -3.977 10.595 1.00 0.00 C ATOM 1504 CE2 PHE A 99 0.397 -1.676 10.161 1.00 0.00 C ATOM 1505 CZ PHE A 99 0.446 -2.768 11.004 1.00 0.00 C ATOM 0 H PHE A 99 -2.825 -3.192 5.120 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.904 -4.504 7.658 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.801 -3.877 6.550 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.250 -2.183 6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.069 -5.039 9.029 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.214 -0.935 8.253 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.046 -4.833 11.253 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.808 -0.730 10.479 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.896 -2.677 11.981 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.744 -1.298 7.499 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.464 -0.242 8.211 1.00 0.00 C ATOM 1517 C ASP A 100 -4.409 1.079 7.451 1.00 0.00 C ATOM 1518 O ASP A 100 -3.949 1.136 6.310 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.879 -0.046 9.615 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.948 0.200 10.662 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -6.047 -0.378 10.533 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -4.686 0.973 11.607 1.00 0.00 O ATOM 0 H ASP A 100 -3.378 -1.021 6.588 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.505 -0.554 8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -3.302 -0.929 9.891 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.187 0.796 9.602 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.874 2.139 8.104 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.873 3.469 7.513 1.00 0.00 C ATOM 1529 C TYR A 101 -3.930 4.386 8.281 1.00 0.00 C ATOM 1530 O TYR A 101 -3.676 4.178 9.466 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.286 4.053 7.497 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.024 3.799 6.204 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.582 2.556 5.933 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.162 4.800 5.252 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -8.255 2.318 4.749 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.832 4.570 4.066 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.377 3.328 3.820 1.00 0.00 C ATOM 1538 OH TYR A 101 -9.044 3.098 2.640 1.00 0.00 O ATOM 0 H TYR A 101 -5.258 2.100 9.048 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.523 3.389 6.484 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.857 3.627 8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.229 5.128 7.670 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.489 1.762 6.659 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.738 5.775 5.442 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.683 1.346 4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.928 5.359 3.335 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.268 2.146 2.571 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.400 5.390 7.595 1.00 0.00 N ATOM 1549 CA LEU A 102 -2.467 6.325 8.209 1.00 0.00 C ATOM 1550 C LEU A 102 -3.137 7.677 8.480 1.00 0.00 C ATOM 1551 O LEU A 102 -3.887 8.184 7.646 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.256 6.496 7.293 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.190 7.485 7.766 1.00 0.00 C ATOM 1554 CD1 LEU A 102 0.857 6.784 8.618 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.466 8.147 6.566 1.00 0.00 C ATOM 0 H LEU A 102 -3.600 5.578 6.613 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.143 5.925 9.170 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.786 5.522 7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.610 6.815 6.313 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.670 8.248 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.605 7.507 8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.378 6.340 9.491 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.339 6.002 8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.225 8.851 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.933 7.386 5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.288 8.680 5.987 1.00 0.00 H new ATOM 1567 N PRO A 103 -2.882 8.273 9.661 1.00 0.00 N ATOM 1568 CA PRO A 103 -3.469 9.566 10.048 1.00 0.00 C ATOM 1569 C PRO A 103 -2.993 10.719 9.164 1.00 0.00 C ATOM 1570 O PRO A 103 -2.501 10.503 8.056 1.00 0.00 O ATOM 1571 CB PRO A 103 -2.988 9.762 11.489 1.00 0.00 C ATOM 1572 CG PRO A 103 -1.769 8.915 11.604 1.00 0.00 C ATOM 1573 CD PRO A 103 -2.011 7.730 10.719 1.00 0.00 C ATOM 0 HA PRO A 103 -4.554 9.562 9.942 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.762 10.809 11.691 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.751 9.456 12.205 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -0.881 9.463 11.290 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.604 8.605 12.636 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.080 7.335 10.311 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.493 6.916 11.259 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.158 11.947 9.659 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.759 13.144 8.918 1.00 0.00 C ATOM 1583 C LYS A 104 -1.335 13.025 8.369 1.00 0.00 C ATOM 1584 O LYS A 104 -1.126 13.099 7.159 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.878 14.384 9.811 1.00 0.00 C ATOM 1586 CG LYS A 104 -4.118 15.217 9.528 1.00 0.00 C ATOM 1587 CD LYS A 104 -4.749 15.737 10.811 1.00 0.00 C ATOM 1588 CE LYS A 104 -6.074 16.430 10.541 1.00 0.00 C ATOM 1589 NZ LYS A 104 -6.011 17.887 10.839 1.00 0.00 N ATOM 0 H LYS A 104 -3.567 12.139 10.574 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.434 13.245 8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.891 14.071 10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.993 15.006 9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.854 16.057 8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.845 14.615 8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.905 14.909 11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.066 16.433 11.297 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.353 16.285 9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.854 15.969 11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.935 18.322 10.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.770 18.026 11.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.284 18.332 10.243 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.331 12.832 9.247 1.00 0.00 N ATOM 1604 CA PRO A 105 1.068 12.700 8.826 1.00 0.00 C ATOM 1605 C PRO A 105 1.225 11.706 7.681 1.00 0.00 C ATOM 1606 O PRO A 105 0.319 10.923 7.412 1.00 0.00 O ATOM 1607 CB PRO A 105 1.769 12.184 10.083 1.00 0.00 C ATOM 1608 CG PRO A 105 0.941 12.690 11.212 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.480 12.723 10.713 1.00 0.00 C ATOM 0 HA PRO A 105 1.477 13.639 8.452 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.822 11.095 10.088 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.792 12.554 10.146 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.032 12.041 12.083 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.268 13.683 11.519 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.025 11.822 10.995 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.030 13.570 11.124 1.00 0.00 H new ATOM 1617 N PHE A 106 2.374 11.743 7.010 1.00 0.00 N ATOM 1618 CA PHE A 106 2.638 10.837 5.897 1.00 0.00 C ATOM 1619 C PHE A 106 4.140 10.765 5.601 1.00 0.00 C ATOM 1620 O PHE A 106 4.875 10.096 6.320 1.00 0.00 O ATOM 1621 CB PHE A 106 1.843 11.255 4.651 1.00 0.00 C ATOM 1622 CG PHE A 106 2.077 10.362 3.461 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.678 9.033 3.480 1.00 0.00 C ATOM 1624 CD2 PHE A 106 2.701 10.850 2.321 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.895 8.213 2.389 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.922 10.033 1.229 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.519 8.713 1.263 1.00 0.00 C ATOM 0 H PHE A 106 3.135 12.390 7.218 1.00 0.00 H new ATOM 0 HA PHE A 106 2.306 9.839 6.182 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.780 11.255 4.891 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.110 12.278 4.386 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.192 8.635 4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.018 11.882 2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.577 7.181 2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.410 10.427 0.349 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.691 8.073 0.411 1.00 0.00 H new ATOM 1637 N ASP A 107 4.597 11.453 4.550 1.00 0.00 N ATOM 1638 CA ASP A 107 6.016 11.452 4.179 1.00 0.00 C ATOM 1639 C ASP A 107 6.621 10.046 4.291 1.00 0.00 C ATOM 1640 O ASP A 107 5.937 9.091 4.655 1.00 0.00 O ATOM 1641 CB ASP A 107 6.791 12.447 5.055 1.00 0.00 C ATOM 1642 CG ASP A 107 7.076 11.917 6.449 1.00 0.00 C ATOM 1643 OD1 ASP A 107 6.152 11.927 7.291 1.00 0.00 O ATOM 1644 OD2 ASP A 107 8.223 11.497 6.699 1.00 0.00 O ATOM 0 H ASP A 107 4.005 12.018 3.941 1.00 0.00 H new ATOM 0 HA ASP A 107 6.096 11.763 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.734 12.694 4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.221 13.373 5.134 1.00 0.00 H new ATOM 1649 N ILE A 108 7.898 9.915 3.967 1.00 0.00 N ATOM 1650 CA ILE A 108 8.560 8.618 4.045 1.00 0.00 C ATOM 1651 C ILE A 108 8.693 8.149 5.489 1.00 0.00 C ATOM 1652 O ILE A 108 8.484 6.976 5.798 1.00 0.00 O ATOM 1653 CB ILE A 108 9.935 8.641 3.341 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.893 7.778 2.083 1.00 0.00 C ATOM 1655 CG2 ILE A 108 11.044 8.165 4.265 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.832 8.203 1.092 1.00 0.00 C ATOM 0 H ILE A 108 8.493 10.681 3.651 1.00 0.00 H new ATOM 0 HA ILE A 108 7.931 7.901 3.518 1.00 0.00 H new ATOM 0 HB ILE A 108 10.152 9.673 3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.868 7.813 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.716 6.741 2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.996 8.195 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.094 8.815 5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.838 7.143 4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.861 7.545 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.850 8.141 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.019 9.229 0.776 1.00 0.00 H new ATOM 1668 N ASP A 109 9.054 9.071 6.362 1.00 0.00 N ATOM 1669 CA ASP A 109 9.232 8.754 7.777 1.00 0.00 C ATOM 1670 C ASP A 109 8.010 8.038 8.351 1.00 0.00 C ATOM 1671 O ASP A 109 8.125 6.925 8.852 1.00 0.00 O ATOM 1672 CB ASP A 109 9.515 10.026 8.580 1.00 0.00 C ATOM 1673 CG ASP A 109 10.489 9.785 9.718 1.00 0.00 C ATOM 1674 OD1 ASP A 109 10.421 8.705 10.340 1.00 0.00 O ATOM 1675 OD2 ASP A 109 11.319 10.679 9.987 1.00 0.00 O ATOM 0 H ASP A 109 9.231 10.046 6.122 1.00 0.00 H new ATOM 0 HA ASP A 109 10.086 8.082 7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.918 10.790 7.915 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.579 10.415 8.982 1.00 0.00 H new ATOM 1680 N GLU A 110 6.842 8.677 8.282 1.00 0.00 N ATOM 1681 CA GLU A 110 5.617 8.086 8.811 1.00 0.00 C ATOM 1682 C GLU A 110 5.077 6.991 7.897 1.00 0.00 C ATOM 1683 O GLU A 110 4.413 6.063 8.358 1.00 0.00 O ATOM 1684 CB GLU A 110 4.544 9.158 9.045 1.00 0.00 C ATOM 1685 CG GLU A 110 4.991 10.269 9.978 1.00 0.00 C ATOM 1686 CD GLU A 110 4.447 10.103 11.384 1.00 0.00 C ATOM 1687 OE1 GLU A 110 3.211 10.016 11.536 1.00 0.00 O ATOM 1688 OE2 GLU A 110 5.259 10.057 12.333 1.00 0.00 O ATOM 0 H GLU A 110 6.720 9.600 7.866 1.00 0.00 H new ATOM 0 HA GLU A 110 5.870 7.630 9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.260 9.592 8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.653 8.685 9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.080 10.292 10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.665 11.229 9.577 1.00 0.00 H new ATOM 1695 N ALA A 111 5.367 7.093 6.606 1.00 0.00 N ATOM 1696 CA ALA A 111 4.908 6.094 5.651 1.00 0.00 C ATOM 1697 C ALA A 111 5.712 4.815 5.801 1.00 0.00 C ATOM 1698 O ALA A 111 5.172 3.766 6.149 1.00 0.00 O ATOM 1699 CB ALA A 111 5.010 6.618 4.228 1.00 0.00 C ATOM 0 H ALA A 111 5.914 7.852 6.199 1.00 0.00 H new ATOM 0 HA ALA A 111 3.860 5.878 5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.662 5.854 3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.394 7.511 4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.048 6.865 4.005 1.00 0.00 H new ATOM 1705 N VAL A 112 7.014 4.911 5.554 1.00 0.00 N ATOM 1706 CA VAL A 112 7.894 3.760 5.684 1.00 0.00 C ATOM 1707 C VAL A 112 7.779 3.165 7.076 1.00 0.00 C ATOM 1708 O VAL A 112 7.948 1.963 7.277 1.00 0.00 O ATOM 1709 CB VAL A 112 9.361 4.131 5.425 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.237 2.892 5.510 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.508 4.818 4.076 1.00 0.00 C ATOM 0 H VAL A 112 7.480 5.771 5.264 1.00 0.00 H new ATOM 0 HA VAL A 112 7.582 3.032 4.936 1.00 0.00 H new ATOM 0 HB VAL A 112 9.688 4.832 6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.275 3.167 5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.150 2.452 6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.915 2.167 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.555 5.074 3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.169 4.147 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.906 5.727 4.063 1.00 0.00 H new ATOM 1721 N ALA A 113 7.478 4.017 8.035 1.00 0.00 N ATOM 1722 CA ALA A 113 7.320 3.581 9.406 1.00 0.00 C ATOM 1723 C ALA A 113 6.146 2.620 9.507 1.00 0.00 C ATOM 1724 O ALA A 113 6.263 1.528 10.058 1.00 0.00 O ATOM 1725 CB ALA A 113 7.100 4.777 10.317 1.00 0.00 C ATOM 0 H ALA A 113 7.338 5.017 7.889 1.00 0.00 H new ATOM 0 HA ALA A 113 8.228 3.068 9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.983 4.435 11.345 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.958 5.446 10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.201 5.310 10.007 1.00 0.00 H new ATOM 1731 N LEU A 114 5.013 3.047 8.965 1.00 0.00 N ATOM 1732 CA LEU A 114 3.798 2.249 8.984 1.00 0.00 C ATOM 1733 C LEU A 114 3.871 1.061 8.028 1.00 0.00 C ATOM 1734 O LEU A 114 3.118 0.098 8.177 1.00 0.00 O ATOM 1735 CB LEU A 114 2.594 3.122 8.632 1.00 0.00 C ATOM 1736 CG LEU A 114 1.245 2.398 8.648 1.00 0.00 C ATOM 1737 CD1 LEU A 114 0.974 1.803 10.021 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.124 3.345 8.245 1.00 0.00 C ATOM 0 H LEU A 114 4.912 3.951 8.503 1.00 0.00 H new ATOM 0 HA LEU A 114 3.687 1.852 9.993 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.551 3.955 9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.750 3.547 7.641 1.00 0.00 H new ATOM 0 HG LEU A 114 1.284 1.585 7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.011 1.293 10.013 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.760 1.090 10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.956 2.599 10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.827 2.812 8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.084 4.180 8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.310 3.722 7.239 1.00 0.00 H new ATOM 1750 N VAL A 115 4.760 1.125 7.042 1.00 0.00 N ATOM 1751 CA VAL A 115 4.879 0.034 6.079 1.00 0.00 C ATOM 1752 C VAL A 115 5.683 -1.134 6.646 1.00 0.00 C ATOM 1753 O VAL A 115 5.266 -2.289 6.547 1.00 0.00 O ATOM 1754 CB VAL A 115 5.489 0.500 4.732 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.004 0.599 4.802 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.070 -0.438 3.607 1.00 0.00 C ATOM 0 H VAL A 115 5.399 1.906 6.889 1.00 0.00 H new ATOM 0 HA VAL A 115 3.863 -0.309 5.883 1.00 0.00 H new ATOM 0 HB VAL A 115 5.104 1.498 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.392 0.929 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.287 1.317 5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.422 -0.378 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.506 -0.097 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.420 -1.447 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.983 -0.442 3.522 1.00 0.00 H new ATOM 1766 N GLU A 116 6.834 -0.834 7.241 1.00 0.00 N ATOM 1767 CA GLU A 116 7.682 -1.870 7.818 1.00 0.00 C ATOM 1768 C GLU A 116 6.973 -2.561 8.979 1.00 0.00 C ATOM 1769 O GLU A 116 7.009 -3.785 9.102 1.00 0.00 O ATOM 1770 CB GLU A 116 9.013 -1.274 8.279 1.00 0.00 C ATOM 1771 CG GLU A 116 9.870 -0.764 7.131 1.00 0.00 C ATOM 1772 CD GLU A 116 11.337 -0.650 7.497 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.683 0.253 8.287 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.140 -1.459 6.988 1.00 0.00 O ATOM 0 H GLU A 116 7.199 0.114 7.336 1.00 0.00 H new ATOM 0 HA GLU A 116 7.885 -2.616 7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 116 8.817 -0.454 8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.570 -2.030 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 116 9.764 -1.435 6.279 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.502 0.212 6.815 1.00 0.00 H new ATOM 1781 N ARG A 117 6.314 -1.771 9.824 1.00 0.00 N ATOM 1782 CA ARG A 117 5.584 -2.316 10.962 1.00 0.00 C ATOM 1783 C ARG A 117 4.444 -3.210 10.488 1.00 0.00 C ATOM 1784 O ARG A 117 3.990 -4.095 11.214 1.00 0.00 O ATOM 1785 CB ARG A 117 5.047 -1.189 11.848 1.00 0.00 C ATOM 1786 CG ARG A 117 6.145 -0.340 12.468 1.00 0.00 C ATOM 1787 CD ARG A 117 5.751 0.182 13.841 1.00 0.00 C ATOM 1788 NE ARG A 117 6.763 1.079 14.395 1.00 0.00 N ATOM 1789 CZ ARG A 117 6.791 2.395 14.187 1.00 0.00 C ATOM 1790 NH1 ARG A 117 5.862 2.981 13.441 1.00 0.00 N ATOM 1791 NH2 ARG A 117 7.755 3.129 14.726 1.00 0.00 N ATOM 0 H ARG A 117 6.272 -0.755 9.741 1.00 0.00 H new ATOM 0 HA ARG A 117 6.273 -2.919 11.553 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.393 -0.549 11.255 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.437 -1.619 12.642 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.057 -0.931 12.552 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.369 0.500 11.811 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.799 0.709 13.770 1.00 0.00 H new ATOM 0 HD3 ARG A 117 5.600 -0.658 14.519 1.00 0.00 H new ATOM 0 HE ARG A 117 7.494 0.672 14.978 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.118 2.423 13.021 1.00 0.00 H new ATOM 0 HH12 ARG A 117 5.892 3.989 13.288 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.474 2.686 15.299 1.00 0.00 H new ATOM 0 HH22 ARG A 117 7.778 4.136 14.568 1.00 0.00 H new ATOM 1805 N ALA A 118 3.992 -2.977 9.260 1.00 0.00 N ATOM 1806 CA ALA A 118 2.916 -3.762 8.676 1.00 0.00 C ATOM 1807 C ALA A 118 3.388 -5.178 8.371 1.00 0.00 C ATOM 1808 O ALA A 118 2.730 -6.157 8.724 1.00 0.00 O ATOM 1809 CB ALA A 118 2.404 -3.093 7.407 1.00 0.00 C ATOM 0 H ALA A 118 4.358 -2.247 8.649 1.00 0.00 H new ATOM 0 HA ALA A 118 2.101 -3.819 9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 118 1.599 -3.691 6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.029 -2.098 7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.217 -3.011 6.686 1.00 0.00 H new ATOM 1815 N ILE A 119 4.540 -5.274 7.711 1.00 0.00 N ATOM 1816 CA ILE A 119 5.117 -6.560 7.352 1.00 0.00 C ATOM 1817 C ILE A 119 5.578 -7.317 8.590 1.00 0.00 C ATOM 1818 O ILE A 119 5.550 -8.547 8.632 1.00 0.00 O ATOM 1819 CB ILE A 119 6.317 -6.377 6.403 1.00 0.00 C ATOM 1820 CG1 ILE A 119 5.948 -5.454 5.244 1.00 0.00 C ATOM 1821 CG2 ILE A 119 6.799 -7.717 5.877 1.00 0.00 C ATOM 1822 CD1 ILE A 119 7.075 -4.536 4.840 1.00 0.00 C ATOM 0 H ILE A 119 5.092 -4.469 7.414 1.00 0.00 H new ATOM 0 HA ILE A 119 4.340 -7.134 6.848 1.00 0.00 H new ATOM 0 HB ILE A 119 7.129 -5.919 6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.653 -6.058 4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 119 5.082 -4.855 5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 119 7.647 -7.562 5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 119 7.105 -8.347 6.712 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.992 -8.205 5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 119 6.751 -3.905 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 119 7.355 -3.909 5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 119 7.934 -5.130 4.529 1.00 0.00 H new ATOM 1834 N SER A 120 6.008 -6.565 9.591 1.00 0.00 N ATOM 1835 CA SER A 120 6.487 -7.140 10.839 1.00 0.00 C ATOM 1836 C SER A 120 5.335 -7.670 11.685 1.00 0.00 C ATOM 1837 O SER A 120 5.380 -8.798 12.176 1.00 0.00 O ATOM 1838 CB SER A 120 7.274 -6.092 11.630 1.00 0.00 C ATOM 1839 OG SER A 120 6.409 -5.277 12.403 1.00 0.00 O ATOM 0 H SER A 120 6.035 -5.546 9.563 1.00 0.00 H new ATOM 0 HA SER A 120 7.140 -7.978 10.594 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.991 -6.589 12.284 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.847 -5.469 10.943 1.00 0.00 H new ATOM 0 HG SER A 120 6.938 -4.618 12.899 1.00 0.00 H new ATOM 1845 N HIS A 121 4.308 -6.845 11.860 1.00 0.00 N ATOM 1846 CA HIS A 121 3.148 -7.227 12.656 1.00 0.00 C ATOM 1847 C HIS A 121 2.470 -8.468 12.087 1.00 0.00 C ATOM 1848 O HIS A 121 1.842 -9.234 12.817 1.00 0.00 O ATOM 1849 CB HIS A 121 2.148 -6.071 12.729 1.00 0.00 C ATOM 1850 CG HIS A 121 2.450 -5.090 13.816 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.727 -4.654 14.104 1.00 0.00 N ATOM 1852 CD2 HIS A 121 1.633 -4.455 14.690 1.00 0.00 C ATOM 1853 CE1 HIS A 121 3.683 -3.796 15.107 1.00 0.00 C ATOM 1854 NE2 HIS A 121 2.424 -3.657 15.480 1.00 0.00 N ATOM 0 H HIS A 121 4.256 -5.908 11.461 1.00 0.00 H new ATOM 0 HA HIS A 121 3.497 -7.462 13.662 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.137 -5.549 11.772 1.00 0.00 H new ATOM 0 HB3 HIS A 121 1.148 -6.475 12.883 1.00 0.00 H new ATOM 0 HD1 HIS A 121 4.574 -4.949 13.618 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.560 -4.557 14.754 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.532 -3.294 15.547 1.00 0.00 H new ATOM 1863 N TYR A 122 2.597 -8.654 10.783 1.00 0.00 N ATOM 1864 CA TYR A 122 1.997 -9.796 10.114 1.00 0.00 C ATOM 1865 C TYR A 122 2.883 -11.031 10.232 1.00 0.00 C ATOM 1866 O TYR A 122 2.439 -12.084 10.688 1.00 0.00 O ATOM 1867 CB TYR A 122 1.733 -9.474 8.642 1.00 0.00 C ATOM 1868 CG TYR A 122 0.381 -8.841 8.397 1.00 0.00 C ATOM 1869 CD1 TYR A 122 -0.781 -9.435 8.874 1.00 0.00 C ATOM 1870 CD2 TYR A 122 0.267 -7.649 7.691 1.00 0.00 C ATOM 1871 CE1 TYR A 122 -2.018 -8.860 8.655 1.00 0.00 C ATOM 1872 CE2 TYR A 122 -0.966 -7.068 7.467 1.00 0.00 C ATOM 1873 CZ TYR A 122 -2.105 -7.678 7.950 1.00 0.00 C ATOM 1874 OH TYR A 122 -3.335 -7.102 7.729 1.00 0.00 O ATOM 0 H TYR A 122 3.112 -8.026 10.166 1.00 0.00 H new ATOM 0 HA TYR A 122 1.048 -10.011 10.605 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.511 -8.802 8.280 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.807 -10.392 8.058 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -0.716 -10.362 9.425 1.00 0.00 H new ATOM 0 HD2 TYR A 122 1.157 -7.169 7.311 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -2.912 -9.333 9.034 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -1.038 -6.141 6.917 1.00 0.00 H new ATOM 0 HH TYR A 122 -3.939 -7.327 8.468 1.00 0.00 H new ATOM 1884 N GLN A 123 4.141 -10.896 9.824 1.00 0.00 N ATOM 1885 CA GLN A 123 5.089 -12.002 9.887 1.00 0.00 C ATOM 1886 C GLN A 123 4.602 -13.186 9.057 1.00 0.00 C ATOM 1887 O GLN A 123 3.542 -13.126 8.436 1.00 0.00 O ATOM 1888 CB GLN A 123 5.299 -12.435 11.340 1.00 0.00 C ATOM 1889 CG GLN A 123 6.732 -12.834 11.656 1.00 0.00 C ATOM 1890 CD GLN A 123 6.875 -14.309 11.979 1.00 0.00 C ATOM 1891 OE1 GLN A 123 5.886 -15.037 12.060 1.00 0.00 O ATOM 1892 NE2 GLN A 123 8.110 -14.757 12.167 1.00 0.00 N ATOM 0 H GLN A 123 4.527 -10.031 9.446 1.00 0.00 H new ATOM 0 HA GLN A 123 6.038 -11.660 9.474 1.00 0.00 H new ATOM 0 HB2 GLN A 123 5.004 -11.619 12.000 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.640 -13.275 11.559 1.00 0.00 H new ATOM 0 HG2 GLN A 123 7.368 -12.590 10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.090 -12.246 12.501 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.901 -14.118 12.090 1.00 0.00 H new ATOM 0 HE22 GLN A 123 8.268 -15.740 12.388 1.00 0.00 H new ATOM 1901 N GLU A 124 5.385 -14.260 9.052 1.00 0.00 N ATOM 1902 CA GLU A 124 5.033 -15.458 8.298 1.00 0.00 C ATOM 1903 C GLU A 124 4.202 -16.413 9.151 1.00 0.00 C ATOM 1904 O GLU A 124 3.886 -16.116 10.303 1.00 0.00 O ATOM 1905 CB GLU A 124 6.295 -16.166 7.804 1.00 0.00 C ATOM 1906 CG GLU A 124 7.256 -16.548 8.919 1.00 0.00 C ATOM 1907 CD GLU A 124 8.551 -15.759 8.872 1.00 0.00 C ATOM 1908 OE1 GLU A 124 8.516 -14.586 8.445 1.00 0.00 O ATOM 1909 OE2 GLU A 124 9.600 -16.314 9.262 1.00 0.00 O ATOM 0 H GLU A 124 6.267 -14.325 9.561 1.00 0.00 H new ATOM 0 HA GLU A 124 4.436 -15.153 7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.007 -17.066 7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 124 6.812 -15.517 7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 124 6.772 -16.386 9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.481 -17.612 8.850 1.00 0.00 H new TER 1916 GLU A 124