USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 486 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 44 ASN : amide:sc= -3.81! C(o=-6.9!,f=-19!) USER MOD Set 1.2: A 54 GLN : amide:sc= -3.12 K(o=-6.9,f=-11!) USER MOD Set 2.1: A 32 MET CE :methyl 179:sc= -0.424 (180deg=-0.173) USER MOD Set 2.2: A 58 MET CE :methyl 147:sc= -5.75! (180deg=-6.48!) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0203 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.401 K(o=-0.4,f=-3.1!) USER MOD Single : A 19 ASN : amide:sc=-0.00679 K(o=-0.0068,f=-1.3!) USER MOD Single : A 20 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.93) USER MOD Single : A 22 MET CE :methyl 175:sc= -5.47! (180deg=-5.51) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -133:sc= -0.203 (180deg=-3.87!) USER MOD Single : A 31 ASN : amide:sc= -0.0426 K(o=-0.043,f=-0.73) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 96:sc= -1.03! USER MOD Single : A 57 GLN : amide:sc= -0.246 K(o=-0.25,f=-1.7!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.395 28.940 -12.513 1.00 0.00 N ATOM 2 CA GLY A 1 -5.379 29.458 -11.578 1.00 0.00 C ATOM 3 C GLY A 1 -6.497 28.441 -11.340 1.00 0.00 C ATOM 4 O GLY A 1 -6.244 27.240 -11.268 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.439 29.118 -12.145 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.535 27.916 -12.632 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.506 29.414 -13.432 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.895 29.700 -10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.802 30.385 -11.966 1.00 0.00 H new ATOM 8 N SER A 2 -7.711 28.961 -11.223 1.00 0.00 N ATOM 9 CA SER A 2 -8.869 28.113 -10.994 1.00 0.00 C ATOM 10 C SER A 2 -8.733 27.393 -9.651 1.00 0.00 C ATOM 11 O SER A 2 -9.315 27.817 -8.654 1.00 0.00 O ATOM 12 CB SER A 2 -9.040 27.097 -12.126 1.00 0.00 C ATOM 13 OG SER A 2 -9.757 27.644 -13.230 1.00 0.00 O ATOM 0 H SER A 2 -7.917 29.958 -11.282 1.00 0.00 H new ATOM 0 HA SER A 2 -9.757 28.745 -10.972 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.059 26.760 -12.462 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.567 26.220 -11.750 1.00 0.00 H new ATOM 0 HG SER A 2 -9.844 26.966 -13.932 1.00 0.00 H new ATOM 19 N SER A 3 -7.960 26.317 -9.668 1.00 0.00 N ATOM 20 CA SER A 3 -7.741 25.534 -8.464 1.00 0.00 C ATOM 21 C SER A 3 -9.048 24.870 -8.026 1.00 0.00 C ATOM 22 O SER A 3 -10.097 25.512 -8.003 1.00 0.00 O ATOM 23 CB SER A 3 -7.183 26.404 -7.336 1.00 0.00 C ATOM 24 OG SER A 3 -5.964 27.042 -7.707 1.00 0.00 O ATOM 0 H SER A 3 -7.478 25.969 -10.497 1.00 0.00 H new ATOM 0 HA SER A 3 -7.006 24.761 -8.688 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.919 27.160 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.016 25.788 -6.452 1.00 0.00 H new ATOM 0 HG SER A 3 -5.641 27.589 -6.961 1.00 0.00 H new ATOM 30 N GLY A 4 -8.942 23.593 -7.688 1.00 0.00 N ATOM 31 CA GLY A 4 -10.102 22.836 -7.251 1.00 0.00 C ATOM 32 C GLY A 4 -9.681 21.556 -6.527 1.00 0.00 C ATOM 33 O GLY A 4 -9.745 21.482 -5.301 1.00 0.00 O ATOM 0 H GLY A 4 -8.070 23.064 -7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.712 23.449 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.722 22.584 -8.112 1.00 0.00 H new ATOM 37 N SER A 5 -9.258 20.579 -7.316 1.00 0.00 N ATOM 38 CA SER A 5 -8.826 19.306 -6.766 1.00 0.00 C ATOM 39 C SER A 5 -9.766 18.878 -5.637 1.00 0.00 C ATOM 40 O SER A 5 -9.547 19.222 -4.477 1.00 0.00 O ATOM 41 CB SER A 5 -7.386 19.387 -6.255 1.00 0.00 C ATOM 42 OG SER A 5 -6.474 19.753 -7.287 1.00 0.00 O ATOM 0 H SER A 5 -9.205 20.644 -8.333 1.00 0.00 H new ATOM 0 HA SER A 5 -8.860 18.561 -7.561 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.329 20.115 -5.446 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.094 18.423 -5.838 1.00 0.00 H new ATOM 0 HG SER A 5 -5.566 19.796 -6.921 1.00 0.00 H new ATOM 48 N SER A 6 -10.794 18.132 -6.017 1.00 0.00 N ATOM 49 CA SER A 6 -11.768 17.654 -5.051 1.00 0.00 C ATOM 50 C SER A 6 -11.683 16.131 -4.933 1.00 0.00 C ATOM 51 O SER A 6 -11.302 15.451 -5.884 1.00 0.00 O ATOM 52 CB SER A 6 -13.186 18.077 -5.443 1.00 0.00 C ATOM 53 OG SER A 6 -13.529 19.352 -4.908 1.00 0.00 O ATOM 0 H SER A 6 -10.973 17.847 -6.980 1.00 0.00 H new ATOM 0 HA SER A 6 -11.538 18.101 -4.084 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.269 18.105 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.898 17.332 -5.089 1.00 0.00 H new ATOM 0 HG SER A 6 -14.440 19.587 -5.182 1.00 0.00 H new ATOM 59 N GLY A 7 -12.043 15.639 -3.756 1.00 0.00 N ATOM 60 CA GLY A 7 -12.012 14.209 -3.501 1.00 0.00 C ATOM 61 C GLY A 7 -12.069 13.919 -2.000 1.00 0.00 C ATOM 62 O GLY A 7 -11.120 14.207 -1.272 1.00 0.00 O ATOM 0 H GLY A 7 -12.358 16.206 -2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.854 13.729 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.103 13.780 -3.924 1.00 0.00 H new ATOM 66 N ARG A 8 -13.191 13.352 -1.581 1.00 0.00 N ATOM 67 CA ARG A 8 -13.383 13.020 -0.180 1.00 0.00 C ATOM 68 C ARG A 8 -13.351 14.288 0.676 1.00 0.00 C ATOM 69 O ARG A 8 -12.787 15.302 0.269 1.00 0.00 O ATOM 70 CB ARG A 8 -12.303 12.054 0.311 1.00 0.00 C ATOM 71 CG ARG A 8 -12.628 10.615 -0.095 1.00 0.00 C ATOM 72 CD ARG A 8 -11.373 9.740 -0.065 1.00 0.00 C ATOM 73 NE ARG A 8 -11.327 8.880 -1.269 1.00 0.00 N ATOM 74 CZ ARG A 8 -12.106 7.806 -1.454 1.00 0.00 C ATOM 75 NH1 ARG A 8 -12.996 7.454 -0.517 1.00 0.00 N ATOM 76 NH2 ARG A 8 -11.996 7.084 -2.578 1.00 0.00 N ATOM 0 H ARG A 8 -13.976 13.114 -2.187 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.356 12.538 -0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.337 12.343 -0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.218 12.119 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.379 10.204 0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -13.059 10.604 -1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.483 10.368 -0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.371 9.123 0.833 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.661 9.120 -2.003 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.081 8.004 0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.589 6.636 -0.658 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.319 7.352 -3.292 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.589 6.266 -2.719 1.00 0.00 H new ATOM 90 N PRO A 9 -13.980 14.186 1.878 1.00 0.00 N ATOM 91 CA PRO A 9 -14.029 15.313 2.794 1.00 0.00 C ATOM 92 C PRO A 9 -12.677 15.520 3.480 1.00 0.00 C ATOM 93 O PRO A 9 -11.763 14.714 3.315 1.00 0.00 O ATOM 94 CB PRO A 9 -15.145 14.978 3.770 1.00 0.00 C ATOM 95 CG PRO A 9 -15.367 13.479 3.651 1.00 0.00 C ATOM 96 CD PRO A 9 -14.659 13.001 2.394 1.00 0.00 C ATOM 0 HA PRO A 9 -14.230 16.258 2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.869 15.252 4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.054 15.528 3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.976 12.964 4.529 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.432 13.254 3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.950 12.204 2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.367 12.603 1.668 1.00 0.00 H new ATOM 104 N ALA A 10 -12.593 16.605 4.236 1.00 0.00 N ATOM 105 CA ALA A 10 -11.368 16.929 4.948 1.00 0.00 C ATOM 106 C ALA A 10 -10.216 17.040 3.947 1.00 0.00 C ATOM 107 O ALA A 10 -9.562 16.047 3.635 1.00 0.00 O ATOM 108 CB ALA A 10 -11.107 15.871 6.022 1.00 0.00 C ATOM 0 H ALA A 10 -13.354 17.271 4.371 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.460 17.891 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.188 16.114 6.556 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.941 15.852 6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.006 14.893 5.552 1.00 0.00 H new ATOM 114 N ARG A 11 -10.004 18.259 3.472 1.00 0.00 N ATOM 115 CA ARG A 11 -8.942 18.513 2.513 1.00 0.00 C ATOM 116 C ARG A 11 -7.626 17.906 3.004 1.00 0.00 C ATOM 117 O ARG A 11 -7.358 17.886 4.205 1.00 0.00 O ATOM 118 CB ARG A 11 -8.750 20.014 2.288 1.00 0.00 C ATOM 119 CG ARG A 11 -8.172 20.291 0.900 1.00 0.00 C ATOM 120 CD ARG A 11 -7.590 21.705 0.820 1.00 0.00 C ATOM 121 NE ARG A 11 -8.620 22.648 0.330 1.00 0.00 N ATOM 122 CZ ARG A 11 -9.553 23.212 1.108 1.00 0.00 C ATOM 123 NH1 ARG A 11 -9.593 22.931 2.418 1.00 0.00 N ATOM 124 NH2 ARG A 11 -10.448 24.057 0.577 1.00 0.00 N ATOM 0 H ARG A 11 -10.549 19.081 3.733 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.230 18.049 1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.706 20.527 2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.083 20.417 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.395 19.561 0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.951 20.171 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.236 22.018 1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.728 21.715 0.153 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.619 22.883 -0.663 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.913 22.288 2.823 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.304 23.361 3.010 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.419 24.271 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.158 24.486 1.170 1.00 0.00 H new ATOM 138 N GLN A 12 -6.841 17.425 2.052 1.00 0.00 N ATOM 139 CA GLN A 12 -5.560 16.819 2.372 1.00 0.00 C ATOM 140 C GLN A 12 -4.699 16.699 1.113 1.00 0.00 C ATOM 141 O GLN A 12 -4.932 15.824 0.280 1.00 0.00 O ATOM 142 CB GLN A 12 -5.750 15.456 3.039 1.00 0.00 C ATOM 143 CG GLN A 12 -4.906 15.344 4.311 1.00 0.00 C ATOM 144 CD GLN A 12 -5.793 15.157 5.543 1.00 0.00 C ATOM 145 OE1 GLN A 12 -7.008 15.076 5.459 1.00 0.00 O ATOM 146 NE2 GLN A 12 -5.121 15.092 6.689 1.00 0.00 N ATOM 0 H GLN A 12 -7.068 17.443 1.058 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.042 17.465 3.081 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.802 15.310 3.283 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.472 14.665 2.343 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.218 14.503 4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.298 16.241 4.429 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.104 15.167 6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.623 14.967 7.568 1.00 0.00 H new ATOM 155 N VAL A 13 -3.723 17.589 1.014 1.00 0.00 N ATOM 156 CA VAL A 13 -2.827 17.593 -0.130 1.00 0.00 C ATOM 157 C VAL A 13 -1.729 16.549 0.084 1.00 0.00 C ATOM 158 O VAL A 13 -1.646 15.571 -0.656 1.00 0.00 O ATOM 159 CB VAL A 13 -2.276 19.002 -0.357 1.00 0.00 C ATOM 160 CG1 VAL A 13 -1.179 18.996 -1.424 1.00 0.00 C ATOM 161 CG2 VAL A 13 -3.396 19.976 -0.728 1.00 0.00 C ATOM 0 H VAL A 13 -3.533 18.313 1.707 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.364 17.318 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.832 19.343 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.804 20.010 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.363 18.349 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.588 18.625 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.977 20.970 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.882 19.640 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.128 20.013 0.079 1.00 0.00 H new ATOM 171 N ARG A 14 -0.915 16.793 1.101 1.00 0.00 N ATOM 172 CA ARG A 14 0.174 15.886 1.421 1.00 0.00 C ATOM 173 C ARG A 14 -0.365 14.637 2.121 1.00 0.00 C ATOM 174 O ARG A 14 -1.457 14.660 2.687 1.00 0.00 O ATOM 175 CB ARG A 14 1.206 16.563 2.325 1.00 0.00 C ATOM 176 CG ARG A 14 0.602 16.907 3.688 1.00 0.00 C ATOM 177 CD ARG A 14 1.401 18.012 4.380 1.00 0.00 C ATOM 178 NE ARG A 14 0.906 19.339 3.950 1.00 0.00 N ATOM 179 CZ ARG A 14 1.540 20.494 4.198 1.00 0.00 C ATOM 180 NH1 ARG A 14 2.697 20.491 4.873 1.00 0.00 N ATOM 181 NH2 ARG A 14 1.016 21.651 3.770 1.00 0.00 N ATOM 0 H ARG A 14 -0.988 17.605 1.714 1.00 0.00 H new ATOM 0 HA ARG A 14 0.657 15.603 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.064 15.904 2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.573 17.471 1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.432 17.227 3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.586 16.017 4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.311 17.914 5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.459 17.913 4.138 1.00 0.00 H new ATOM 0 HE ARG A 14 0.028 19.377 3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.095 19.610 5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.180 21.370 5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.135 21.653 3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.498 22.530 3.959 1.00 0.00 H new ATOM 195 N ARG A 15 0.427 13.576 2.060 1.00 0.00 N ATOM 196 CA ARG A 15 0.043 12.320 2.681 1.00 0.00 C ATOM 197 C ARG A 15 0.701 12.184 4.056 1.00 0.00 C ATOM 198 O ARG A 15 1.852 12.578 4.239 1.00 0.00 O ATOM 199 CB ARG A 15 0.448 11.129 1.810 1.00 0.00 C ATOM 200 CG ARG A 15 -0.498 10.975 0.617 1.00 0.00 C ATOM 201 CD ARG A 15 -1.636 10.006 0.941 1.00 0.00 C ATOM 202 NE ARG A 15 -2.851 10.381 0.184 1.00 0.00 N ATOM 203 CZ ARG A 15 -3.107 9.983 -1.070 1.00 0.00 C ATOM 204 NH1 ARG A 15 -2.235 9.197 -1.714 1.00 0.00 N ATOM 205 NH2 ARG A 15 -4.236 10.372 -1.679 1.00 0.00 N ATOM 0 H ARG A 15 1.332 13.561 1.590 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.041 12.323 2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.469 11.265 1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.438 10.217 2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.910 11.947 0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.058 10.613 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.340 8.988 0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.845 10.022 2.011 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.536 10.980 0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.376 8.901 -1.250 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.430 8.894 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.900 10.971 -1.188 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.431 10.069 -2.633 1.00 0.00 H new ATOM 219 N LEU A 16 -0.058 11.626 4.987 1.00 0.00 N ATOM 220 CA LEU A 16 0.438 11.433 6.340 1.00 0.00 C ATOM 221 C LEU A 16 -0.091 10.106 6.888 1.00 0.00 C ATOM 222 O LEU A 16 0.666 9.149 7.043 1.00 0.00 O ATOM 223 CB LEU A 16 0.092 12.641 7.214 1.00 0.00 C ATOM 224 CG LEU A 16 1.275 13.353 7.872 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.025 12.412 8.816 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.200 13.967 6.819 1.00 0.00 C ATOM 0 H LEU A 16 -1.012 11.301 4.832 1.00 0.00 H new ATOM 0 HA LEU A 16 1.526 11.368 6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.447 13.364 6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.591 12.314 7.998 1.00 0.00 H new ATOM 0 HG LEU A 16 0.887 14.173 8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.861 12.943 9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.348 12.065 9.597 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.401 11.557 8.254 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.033 14.467 7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.583 13.181 6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.644 14.691 6.224 1.00 0.00 H new ATOM 238 N GLU A 17 -1.386 10.091 7.166 1.00 0.00 N ATOM 239 CA GLU A 17 -2.024 8.897 7.693 1.00 0.00 C ATOM 240 C GLU A 17 -2.483 7.991 6.549 1.00 0.00 C ATOM 241 O GLU A 17 -2.513 8.411 5.393 1.00 0.00 O ATOM 242 CB GLU A 17 -3.196 9.260 8.608 1.00 0.00 C ATOM 243 CG GLU A 17 -3.265 8.317 9.811 1.00 0.00 C ATOM 244 CD GLU A 17 -4.307 8.796 10.823 1.00 0.00 C ATOM 245 OE1 GLU A 17 -5.440 9.083 10.379 1.00 0.00 O ATOM 246 OE2 GLU A 17 -3.948 8.864 12.019 1.00 0.00 O ATOM 0 H GLU A 17 -2.011 10.887 7.036 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.293 8.353 8.291 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.088 10.288 8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.129 9.209 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.515 7.311 9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.287 8.260 10.290 1.00 0.00 H new ATOM 253 N PHE A 18 -2.827 6.763 6.910 1.00 0.00 N ATOM 254 CA PHE A 18 -3.283 5.794 5.928 1.00 0.00 C ATOM 255 C PHE A 18 -4.242 4.783 6.559 1.00 0.00 C ATOM 256 O PHE A 18 -3.953 3.589 6.600 1.00 0.00 O ATOM 257 CB PHE A 18 -2.043 5.055 5.421 1.00 0.00 C ATOM 258 CG PHE A 18 -1.208 4.409 6.529 1.00 0.00 C ATOM 259 CD1 PHE A 18 -0.411 5.179 7.317 1.00 0.00 C ATOM 260 CD2 PHE A 18 -1.263 3.064 6.725 1.00 0.00 C ATOM 261 CE1 PHE A 18 0.364 4.579 8.344 1.00 0.00 C ATOM 262 CE2 PHE A 18 -0.488 2.464 7.753 1.00 0.00 C ATOM 263 CZ PHE A 18 0.309 3.235 8.541 1.00 0.00 C ATOM 0 H PHE A 18 -2.799 6.417 7.869 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.813 6.302 5.122 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.355 4.283 4.718 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.416 5.755 4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.368 6.247 7.162 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.896 2.452 6.099 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.998 5.191 8.969 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.531 1.396 7.909 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.898 2.779 9.323 1.00 0.00 H new ATOM 273 N ASN A 19 -5.366 5.300 7.035 1.00 0.00 N ATOM 274 CA ASN A 19 -6.370 4.457 7.663 1.00 0.00 C ATOM 275 C ASN A 19 -7.156 3.717 6.579 1.00 0.00 C ATOM 276 O ASN A 19 -7.196 2.487 6.567 1.00 0.00 O ATOM 277 CB ASN A 19 -7.359 5.293 8.477 1.00 0.00 C ATOM 278 CG ASN A 19 -8.205 4.404 9.391 1.00 0.00 C ATOM 279 OD1 ASN A 19 -7.889 3.254 9.647 1.00 0.00 O ATOM 280 ND2 ASN A 19 -9.295 5.000 9.867 1.00 0.00 N ATOM 0 H ASN A 19 -5.603 6.291 6.998 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.859 3.758 8.325 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.816 6.024 9.076 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.009 5.852 7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.925 4.491 10.487 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.500 5.966 9.612 1.00 0.00 H new ATOM 287 N GLN A 20 -7.763 4.496 5.696 1.00 0.00 N ATOM 288 CA GLN A 20 -8.546 3.929 4.612 1.00 0.00 C ATOM 289 C GLN A 20 -7.825 2.722 4.010 1.00 0.00 C ATOM 290 O GLN A 20 -8.413 1.651 3.865 1.00 0.00 O ATOM 291 CB GLN A 20 -8.841 4.981 3.540 1.00 0.00 C ATOM 292 CG GLN A 20 -9.831 4.446 2.504 1.00 0.00 C ATOM 293 CD GLN A 20 -9.190 4.382 1.116 1.00 0.00 C ATOM 294 OE1 GLN A 20 -8.353 5.192 0.753 1.00 0.00 O ATOM 295 NE2 GLN A 20 -9.629 3.378 0.363 1.00 0.00 N ATOM 0 H GLN A 20 -7.728 5.515 5.709 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.500 3.592 5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.248 5.878 4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.914 5.272 3.046 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.170 3.453 2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.712 5.087 2.473 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.332 2.735 0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.263 3.250 -0.581 1.00 0.00 H new ATOM 304 N ALA A 21 -6.560 2.934 3.677 1.00 0.00 N ATOM 305 CA ALA A 21 -5.752 1.876 3.095 1.00 0.00 C ATOM 306 C ALA A 21 -5.997 0.573 3.859 1.00 0.00 C ATOM 307 O ALA A 21 -6.389 -0.432 3.270 1.00 0.00 O ATOM 308 CB ALA A 21 -4.280 2.292 3.108 1.00 0.00 C ATOM 0 H ALA A 21 -6.075 3.823 3.799 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.033 1.706 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.674 1.498 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.155 3.206 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.961 2.469 4.135 1.00 0.00 H new ATOM 314 N MET A 22 -5.755 0.634 5.161 1.00 0.00 N ATOM 315 CA MET A 22 -5.945 -0.528 6.012 1.00 0.00 C ATOM 316 C MET A 22 -7.273 -1.222 5.705 1.00 0.00 C ATOM 317 O MET A 22 -7.319 -2.441 5.546 1.00 0.00 O ATOM 318 CB MET A 22 -5.922 -0.095 7.479 1.00 0.00 C ATOM 319 CG MET A 22 -4.567 0.509 7.852 1.00 0.00 C ATOM 320 SD MET A 22 -3.264 -0.667 7.527 1.00 0.00 S ATOM 321 CE MET A 22 -3.533 -1.807 8.873 1.00 0.00 C ATOM 0 H MET A 22 -5.429 1.470 5.646 1.00 0.00 H new ATOM 0 HA MET A 22 -5.136 -1.233 5.819 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.711 0.635 7.659 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.130 -0.953 8.118 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.396 1.421 7.280 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.562 0.788 8.906 1.00 0.00 H new ATOM 0 HE1 MET A 22 -2.858 -2.657 8.771 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.341 -1.303 9.820 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.564 -2.159 8.851 1.00 0.00 H new ATOM 331 N ASP A 23 -8.322 -0.416 5.630 1.00 0.00 N ATOM 332 CA ASP A 23 -9.648 -0.937 5.344 1.00 0.00 C ATOM 333 C ASP A 23 -9.582 -1.840 4.111 1.00 0.00 C ATOM 334 O ASP A 23 -10.043 -2.980 4.146 1.00 0.00 O ATOM 335 CB ASP A 23 -10.633 0.195 5.048 1.00 0.00 C ATOM 336 CG ASP A 23 -11.962 0.110 5.802 1.00 0.00 C ATOM 337 OD1 ASP A 23 -12.672 -0.896 5.588 1.00 0.00 O ATOM 338 OD2 ASP A 23 -12.237 1.054 6.575 1.00 0.00 O ATOM 0 H ASP A 23 -8.280 0.595 5.762 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.988 -1.491 6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.155 1.144 5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.840 0.206 3.978 1.00 0.00 H new ATOM 343 N ASP A 24 -9.003 -1.298 3.050 1.00 0.00 N ATOM 344 CA ASP A 24 -8.870 -2.040 1.808 1.00 0.00 C ATOM 345 C ASP A 24 -8.296 -3.427 2.107 1.00 0.00 C ATOM 346 O ASP A 24 -8.927 -4.440 1.812 1.00 0.00 O ATOM 347 CB ASP A 24 -7.918 -1.332 0.842 1.00 0.00 C ATOM 348 CG ASP A 24 -8.407 -1.252 -0.605 1.00 0.00 C ATOM 349 OD1 ASP A 24 -9.517 -0.711 -0.800 1.00 0.00 O ATOM 350 OD2 ASP A 24 -7.660 -1.732 -1.484 1.00 0.00 O ATOM 0 H ASP A 24 -8.620 -0.353 3.025 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.857 -2.113 1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.741 -0.320 1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.958 -1.849 0.857 1.00 0.00 H new ATOM 355 N PHE A 25 -7.106 -3.426 2.688 1.00 0.00 N ATOM 356 CA PHE A 25 -6.439 -4.671 3.030 1.00 0.00 C ATOM 357 C PHE A 25 -7.315 -5.528 3.947 1.00 0.00 C ATOM 358 O PHE A 25 -7.389 -6.744 3.781 1.00 0.00 O ATOM 359 CB PHE A 25 -5.154 -4.301 3.772 1.00 0.00 C ATOM 360 CG PHE A 25 -4.138 -3.542 2.917 1.00 0.00 C ATOM 361 CD1 PHE A 25 -3.781 -4.025 1.696 1.00 0.00 C ATOM 362 CD2 PHE A 25 -3.592 -2.385 3.376 1.00 0.00 C ATOM 363 CE1 PHE A 25 -2.838 -3.321 0.902 1.00 0.00 C ATOM 364 CE2 PHE A 25 -2.649 -1.680 2.582 1.00 0.00 C ATOM 365 CZ PHE A 25 -2.292 -2.163 1.362 1.00 0.00 C ATOM 0 H PHE A 25 -6.586 -2.583 2.931 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.236 -5.245 2.126 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.410 -3.693 4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.689 -5.212 4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.215 -4.944 1.331 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.875 -2.002 4.345 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.554 -3.705 -0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.216 -0.761 2.947 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.575 -1.627 0.758 1.00 0.00 H new ATOM 375 N LYS A 26 -7.956 -4.859 4.894 1.00 0.00 N ATOM 376 CA LYS A 26 -8.824 -5.544 5.838 1.00 0.00 C ATOM 377 C LYS A 26 -9.881 -6.338 5.068 1.00 0.00 C ATOM 378 O LYS A 26 -10.170 -7.484 5.407 1.00 0.00 O ATOM 379 CB LYS A 26 -9.411 -4.551 6.843 1.00 0.00 C ATOM 380 CG LYS A 26 -8.490 -4.387 8.054 1.00 0.00 C ATOM 381 CD LYS A 26 -8.273 -5.725 8.763 1.00 0.00 C ATOM 382 CE LYS A 26 -8.084 -5.524 10.268 1.00 0.00 C ATOM 383 NZ LYS A 26 -9.369 -5.702 10.980 1.00 0.00 N ATOM 0 H LYS A 26 -7.892 -3.850 5.028 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.254 -6.261 6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.559 -3.585 6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.391 -4.897 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.530 -3.982 7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.923 -3.669 8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.127 -6.378 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.398 -6.224 8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.350 -6.235 10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.690 -4.526 10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.223 -5.562 12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.059 -5.007 10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.730 -6.663 10.810 1.00 0.00 H new ATOM 397 N THR A 27 -10.429 -5.696 4.046 1.00 0.00 N ATOM 398 CA THR A 27 -11.448 -6.329 3.226 1.00 0.00 C ATOM 399 C THR A 27 -10.811 -7.335 2.266 1.00 0.00 C ATOM 400 O THR A 27 -11.372 -8.401 2.016 1.00 0.00 O ATOM 401 CB THR A 27 -12.235 -5.225 2.515 1.00 0.00 C ATOM 402 OG1 THR A 27 -13.494 -5.211 3.184 1.00 0.00 O ATOM 403 CG2 THR A 27 -12.584 -5.591 1.072 1.00 0.00 C ATOM 0 H THR A 27 -10.187 -4.745 3.768 1.00 0.00 H new ATOM 0 HA THR A 27 -12.145 -6.905 3.835 1.00 0.00 H new ATOM 0 HB THR A 27 -11.655 -4.302 2.525 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.067 -4.522 2.788 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.142 -4.774 0.614 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.667 -5.765 0.509 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.192 -6.495 1.063 1.00 0.00 H new ATOM 411 N MET A 28 -9.648 -6.961 1.753 1.00 0.00 N ATOM 412 CA MET A 28 -8.929 -7.817 0.825 1.00 0.00 C ATOM 413 C MET A 28 -8.498 -9.120 1.503 1.00 0.00 C ATOM 414 O MET A 28 -8.705 -10.204 0.961 1.00 0.00 O ATOM 415 CB MET A 28 -7.694 -7.081 0.303 1.00 0.00 C ATOM 416 CG MET A 28 -8.094 -5.867 -0.537 1.00 0.00 C ATOM 417 SD MET A 28 -7.825 -6.208 -2.269 1.00 0.00 S ATOM 418 CE MET A 28 -6.051 -6.401 -2.275 1.00 0.00 C ATOM 0 H MET A 28 -9.186 -6.076 1.963 1.00 0.00 H new ATOM 0 HA MET A 28 -9.594 -8.062 -0.003 1.00 0.00 H new ATOM 0 HB2 MET A 28 -7.076 -6.760 1.142 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.088 -7.760 -0.298 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.142 -5.624 -0.364 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.511 -4.997 -0.234 1.00 0.00 H new ATOM 0 HE1 MET A 28 -5.625 -5.827 -3.098 1.00 0.00 H new ATOM 0 HE2 MET A 28 -5.642 -6.039 -1.331 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.800 -7.454 -2.399 1.00 0.00 H new ATOM 428 N PHE A 29 -7.907 -8.970 2.680 1.00 0.00 N ATOM 429 CA PHE A 29 -7.446 -10.121 3.437 1.00 0.00 C ATOM 430 C PHE A 29 -7.875 -10.020 4.903 1.00 0.00 C ATOM 431 O PHE A 29 -7.257 -9.301 5.686 1.00 0.00 O ATOM 432 CB PHE A 29 -5.918 -10.121 3.364 1.00 0.00 C ATOM 433 CG PHE A 29 -5.363 -10.112 1.939 1.00 0.00 C ATOM 434 CD1 PHE A 29 -5.292 -8.945 1.243 1.00 0.00 C ATOM 435 CD2 PHE A 29 -4.941 -11.271 1.366 1.00 0.00 C ATOM 436 CE1 PHE A 29 -4.777 -8.937 -0.080 1.00 0.00 C ATOM 437 CE2 PHE A 29 -4.426 -11.263 0.043 1.00 0.00 C ATOM 438 CZ PHE A 29 -4.355 -10.097 -0.652 1.00 0.00 C ATOM 0 H PHE A 29 -7.737 -8.069 3.127 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.873 -11.034 3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.539 -9.248 3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.540 -11.001 3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.628 -8.024 1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.998 -12.198 1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.720 -8.011 -0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.091 -12.184 -0.411 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.963 -10.091 -1.659 1.00 0.00 H new ATOM 448 N PRO A 30 -8.958 -10.771 5.237 1.00 0.00 N ATOM 449 CA PRO A 30 -9.477 -10.774 6.595 1.00 0.00 C ATOM 450 C PRO A 30 -8.578 -11.593 7.523 1.00 0.00 C ATOM 451 O PRO A 30 -8.392 -11.236 8.686 1.00 0.00 O ATOM 452 CB PRO A 30 -10.882 -11.339 6.477 1.00 0.00 C ATOM 453 CG PRO A 30 -10.931 -12.062 5.141 1.00 0.00 C ATOM 454 CD PRO A 30 -9.715 -11.635 4.336 1.00 0.00 C ATOM 0 HA PRO A 30 -9.499 -9.779 7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.098 -12.022 7.299 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.627 -10.544 6.518 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.930 -13.142 5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.848 -11.815 4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.124 -12.496 4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.007 -11.104 3.430 1.00 0.00 H new ATOM 462 N ASN A 31 -8.045 -12.675 6.976 1.00 0.00 N ATOM 463 CA ASN A 31 -7.171 -13.548 7.741 1.00 0.00 C ATOM 464 C ASN A 31 -5.952 -12.753 8.214 1.00 0.00 C ATOM 465 O ASN A 31 -5.354 -13.079 9.238 1.00 0.00 O ATOM 466 CB ASN A 31 -6.672 -14.714 6.886 1.00 0.00 C ATOM 467 CG ASN A 31 -7.840 -15.449 6.225 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.966 -15.426 6.694 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.510 -16.100 5.113 1.00 0.00 N ATOM 0 H ASN A 31 -8.202 -12.967 6.011 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.738 -13.938 8.586 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.991 -14.343 6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.105 -15.408 7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.219 -16.621 4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.548 -16.078 4.776 1.00 0.00 H new ATOM 476 N MET A 32 -5.620 -11.726 7.446 1.00 0.00 N ATOM 477 CA MET A 32 -4.484 -10.883 7.774 1.00 0.00 C ATOM 478 C MET A 32 -4.708 -10.150 9.099 1.00 0.00 C ATOM 479 O MET A 32 -5.832 -10.090 9.596 1.00 0.00 O ATOM 480 CB MET A 32 -4.266 -9.861 6.656 1.00 0.00 C ATOM 481 CG MET A 32 -3.039 -10.221 5.816 1.00 0.00 C ATOM 482 SD MET A 32 -3.223 -11.863 5.140 1.00 0.00 S ATOM 483 CE MET A 32 -1.632 -12.054 4.354 1.00 0.00 C ATOM 0 H MET A 32 -6.118 -11.459 6.597 1.00 0.00 H new ATOM 0 HA MET A 32 -3.603 -11.517 7.876 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.149 -9.821 6.018 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.138 -8.868 7.086 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.915 -9.498 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.140 -10.170 6.430 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.570 -13.040 3.894 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.510 -11.288 3.589 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.843 -11.951 5.099 1.00 0.00 H new ATOM 493 N ASP A 33 -3.622 -9.612 9.632 1.00 0.00 N ATOM 494 CA ASP A 33 -3.686 -8.886 10.889 1.00 0.00 C ATOM 495 C ASP A 33 -3.245 -7.439 10.661 1.00 0.00 C ATOM 496 O ASP A 33 -2.263 -7.189 9.963 1.00 0.00 O ATOM 497 CB ASP A 33 -2.753 -9.506 11.932 1.00 0.00 C ATOM 498 CG ASP A 33 -3.431 -9.924 13.238 1.00 0.00 C ATOM 499 OD1 ASP A 33 -4.198 -9.094 13.771 1.00 0.00 O ATOM 500 OD2 ASP A 33 -3.166 -11.065 13.675 1.00 0.00 O ATOM 0 H ASP A 33 -2.692 -9.664 9.216 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.713 -8.931 11.252 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.272 -10.381 11.494 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.964 -8.791 12.163 1.00 0.00 H new ATOM 505 N TYR A 34 -3.992 -6.525 11.262 1.00 0.00 N ATOM 506 CA TYR A 34 -3.690 -5.109 11.133 1.00 0.00 C ATOM 507 C TYR A 34 -2.192 -4.850 11.306 1.00 0.00 C ATOM 508 O TYR A 34 -1.649 -3.912 10.724 1.00 0.00 O ATOM 509 CB TYR A 34 -4.450 -4.411 12.262 1.00 0.00 C ATOM 510 CG TYR A 34 -4.661 -2.913 12.037 1.00 0.00 C ATOM 511 CD1 TYR A 34 -5.584 -2.478 11.107 1.00 0.00 C ATOM 512 CD2 TYR A 34 -3.929 -1.996 12.763 1.00 0.00 C ATOM 513 CE1 TYR A 34 -5.783 -1.068 10.895 1.00 0.00 C ATOM 514 CE2 TYR A 34 -4.128 -0.585 12.551 1.00 0.00 C ATOM 515 CZ TYR A 34 -5.045 -0.191 11.628 1.00 0.00 C ATOM 516 OH TYR A 34 -5.232 1.141 11.427 1.00 0.00 O ATOM 0 H TYR A 34 -4.806 -6.737 11.840 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.978 -4.744 10.147 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.422 -4.890 12.383 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.906 -4.555 13.195 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.157 -3.196 10.538 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.207 -2.336 13.490 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.502 -0.714 10.171 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.562 0.143 13.113 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.639 1.648 12.020 1.00 0.00 H new ATOM 526 N ASP A 35 -1.566 -5.698 12.108 1.00 0.00 N ATOM 527 CA ASP A 35 -0.141 -5.573 12.365 1.00 0.00 C ATOM 528 C ASP A 35 0.639 -6.107 11.162 1.00 0.00 C ATOM 529 O ASP A 35 1.643 -5.522 10.759 1.00 0.00 O ATOM 530 CB ASP A 35 0.271 -6.386 13.594 1.00 0.00 C ATOM 531 CG ASP A 35 0.650 -5.556 14.821 1.00 0.00 C ATOM 532 OD1 ASP A 35 -0.287 -5.054 15.479 1.00 0.00 O ATOM 533 OD2 ASP A 35 1.869 -5.442 15.075 1.00 0.00 O ATOM 0 H ASP A 35 -2.019 -6.475 12.589 1.00 0.00 H new ATOM 0 HA ASP A 35 0.079 -4.520 12.539 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.550 -7.051 13.863 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.118 -7.018 13.326 1.00 0.00 H new ATOM 538 N ILE A 36 0.147 -7.212 10.621 1.00 0.00 N ATOM 539 CA ILE A 36 0.785 -7.831 9.472 1.00 0.00 C ATOM 540 C ILE A 36 0.628 -6.918 8.254 1.00 0.00 C ATOM 541 O ILE A 36 1.602 -6.633 7.559 1.00 0.00 O ATOM 542 CB ILE A 36 0.242 -9.245 9.255 1.00 0.00 C ATOM 543 CG1 ILE A 36 0.373 -10.084 10.528 1.00 0.00 C ATOM 544 CG2 ILE A 36 0.917 -9.913 8.056 1.00 0.00 C ATOM 545 CD1 ILE A 36 1.715 -9.829 11.216 1.00 0.00 C ATOM 0 H ILE A 36 -0.686 -7.695 10.957 1.00 0.00 H new ATOM 0 HA ILE A 36 1.854 -7.949 9.647 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.821 -9.172 9.026 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.442 -9.844 11.211 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.282 -11.142 10.282 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.513 -10.917 7.924 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.728 -9.325 7.158 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.991 -9.974 8.231 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.783 -10.437 12.118 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.527 -10.093 10.538 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.793 -8.775 11.483 1.00 0.00 H new ATOM 557 N ILE A 37 -0.605 -6.486 8.033 1.00 0.00 N ATOM 558 CA ILE A 37 -0.901 -5.612 6.911 1.00 0.00 C ATOM 559 C ILE A 37 0.091 -4.447 6.901 1.00 0.00 C ATOM 560 O ILE A 37 0.795 -4.235 5.915 1.00 0.00 O ATOM 561 CB ILE A 37 -2.366 -5.172 6.947 1.00 0.00 C ATOM 562 CG1 ILE A 37 -3.296 -6.327 6.568 1.00 0.00 C ATOM 563 CG2 ILE A 37 -2.591 -3.942 6.065 1.00 0.00 C ATOM 564 CD1 ILE A 37 -4.494 -6.400 7.516 1.00 0.00 C ATOM 0 H ILE A 37 -1.410 -6.725 8.612 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.775 -6.146 5.969 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.611 -4.884 7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.646 -6.196 5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.745 -7.267 6.599 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.640 -3.650 6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.971 -3.120 6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.323 -4.179 5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.139 -7.229 7.224 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.142 -6.555 8.536 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.056 -5.468 7.464 1.00 0.00 H new ATOM 576 N GLU A 38 0.114 -3.722 8.010 1.00 0.00 N ATOM 577 CA GLU A 38 1.008 -2.585 8.142 1.00 0.00 C ATOM 578 C GLU A 38 2.456 -3.017 7.904 1.00 0.00 C ATOM 579 O GLU A 38 3.191 -2.362 7.166 1.00 0.00 O ATOM 580 CB GLU A 38 0.852 -1.920 9.511 1.00 0.00 C ATOM 581 CG GLU A 38 -0.493 -1.198 9.620 1.00 0.00 C ATOM 582 CD GLU A 38 -0.332 0.161 10.305 1.00 0.00 C ATOM 583 OE1 GLU A 38 0.695 0.329 10.998 1.00 0.00 O ATOM 584 OE2 GLU A 38 -1.239 1.000 10.120 1.00 0.00 O ATOM 0 H GLU A 38 -0.472 -3.900 8.825 1.00 0.00 H new ATOM 0 HA GLU A 38 0.740 -1.848 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.929 -2.673 10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.664 -1.210 9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.917 -1.060 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.195 -1.812 10.184 1.00 0.00 H new ATOM 591 N CYS A 39 2.824 -4.118 8.544 1.00 0.00 N ATOM 592 CA CYS A 39 4.171 -4.646 8.411 1.00 0.00 C ATOM 593 C CYS A 39 4.578 -4.559 6.939 1.00 0.00 C ATOM 594 O CYS A 39 5.658 -4.064 6.618 1.00 0.00 O ATOM 595 CB CYS A 39 4.274 -6.074 8.949 1.00 0.00 C ATOM 596 SG CYS A 39 5.139 -6.075 10.562 1.00 0.00 S ATOM 0 H CYS A 39 2.213 -4.658 9.156 1.00 0.00 H new ATOM 0 HA CYS A 39 4.859 -4.051 9.012 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.278 -6.502 9.061 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.812 -6.701 8.238 1.00 0.00 H new ATOM 0 HG CYS A 39 5.219 -7.292 11.011 1.00 0.00 H new ATOM 602 N VAL A 40 3.693 -5.049 6.083 1.00 0.00 N ATOM 603 CA VAL A 40 3.947 -5.033 4.653 1.00 0.00 C ATOM 604 C VAL A 40 4.067 -3.584 4.177 1.00 0.00 C ATOM 605 O VAL A 40 5.018 -3.233 3.479 1.00 0.00 O ATOM 606 CB VAL A 40 2.856 -5.815 3.919 1.00 0.00 C ATOM 607 CG1 VAL A 40 3.235 -6.041 2.454 1.00 0.00 C ATOM 608 CG2 VAL A 40 2.566 -7.142 4.622 1.00 0.00 C ATOM 0 H VAL A 40 2.799 -5.460 6.353 1.00 0.00 H new ATOM 0 HA VAL A 40 4.891 -5.529 4.427 1.00 0.00 H new ATOM 0 HB VAL A 40 1.944 -5.219 3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.443 -6.599 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.367 -5.079 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.165 -6.607 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.787 -7.678 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.473 -7.746 4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.231 -6.948 5.641 1.00 0.00 H new ATOM 618 N LEU A 41 3.090 -2.781 4.573 1.00 0.00 N ATOM 619 CA LEU A 41 3.074 -1.378 4.195 1.00 0.00 C ATOM 620 C LEU A 41 4.462 -0.777 4.427 1.00 0.00 C ATOM 621 O LEU A 41 5.020 -0.134 3.538 1.00 0.00 O ATOM 622 CB LEU A 41 1.953 -0.639 4.928 1.00 0.00 C ATOM 623 CG LEU A 41 0.536 -0.884 4.407 1.00 0.00 C ATOM 624 CD1 LEU A 41 -0.499 -0.170 5.278 1.00 0.00 C ATOM 625 CD2 LEU A 41 0.417 -0.487 2.934 1.00 0.00 C ATOM 0 H LEU A 41 2.304 -3.076 5.152 1.00 0.00 H new ATOM 0 HA LEU A 41 2.853 -1.271 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.986 -0.922 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.157 0.431 4.879 1.00 0.00 H new ATOM 0 HG LEU A 41 0.329 -1.952 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.498 -0.360 4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.433 -0.542 6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.304 0.902 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.600 -0.671 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.652 0.571 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.114 -1.078 2.340 1.00 0.00 H new ATOM 637 N ARG A 42 4.979 -1.006 5.625 1.00 0.00 N ATOM 638 CA ARG A 42 6.291 -0.495 5.984 1.00 0.00 C ATOM 639 C ARG A 42 7.386 -1.310 5.292 1.00 0.00 C ATOM 640 O ARG A 42 8.371 -0.750 4.812 1.00 0.00 O ATOM 641 CB ARG A 42 6.506 -0.546 7.498 1.00 0.00 C ATOM 642 CG ARG A 42 5.257 -0.076 8.246 1.00 0.00 C ATOM 643 CD ARG A 42 5.631 0.795 9.446 1.00 0.00 C ATOM 644 NE ARG A 42 4.440 1.028 10.293 1.00 0.00 N ATOM 645 CZ ARG A 42 4.447 1.768 11.411 1.00 0.00 C ATOM 646 NH1 ARG A 42 5.581 2.350 11.822 1.00 0.00 N ATOM 647 NH2 ARG A 42 3.318 1.925 12.116 1.00 0.00 N ATOM 0 H ARG A 42 4.513 -1.539 6.360 1.00 0.00 H new ATOM 0 HA ARG A 42 6.344 0.543 5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.753 -1.564 7.800 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.355 0.082 7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.614 0.488 7.570 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.685 -0.940 8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.413 0.309 10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.035 1.747 9.103 1.00 0.00 H new ATOM 0 HE ARG A 42 3.559 0.599 10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.440 2.230 11.284 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.586 2.913 12.673 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.455 1.482 11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.322 2.488 12.967 1.00 0.00 H new ATOM 661 N ALA A 43 7.177 -2.618 5.263 1.00 0.00 N ATOM 662 CA ALA A 43 8.134 -3.515 4.639 1.00 0.00 C ATOM 663 C ALA A 43 8.211 -3.209 3.141 1.00 0.00 C ATOM 664 O ALA A 43 9.119 -3.675 2.455 1.00 0.00 O ATOM 665 CB ALA A 43 7.733 -4.964 4.918 1.00 0.00 C ATOM 0 H ALA A 43 6.359 -3.078 5.662 1.00 0.00 H new ATOM 0 HA ALA A 43 9.129 -3.366 5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.451 -5.637 4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.721 -5.138 5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.740 -5.152 4.509 1.00 0.00 H new ATOM 671 N ASN A 44 7.246 -2.428 2.679 1.00 0.00 N ATOM 672 CA ASN A 44 7.193 -2.054 1.276 1.00 0.00 C ATOM 673 C ASN A 44 7.411 -0.545 1.146 1.00 0.00 C ATOM 674 O ASN A 44 7.572 -0.031 0.040 1.00 0.00 O ATOM 675 CB ASN A 44 5.829 -2.389 0.668 1.00 0.00 C ATOM 676 CG ASN A 44 5.693 -3.892 0.420 1.00 0.00 C ATOM 677 OD1 ASN A 44 5.576 -4.354 -0.704 1.00 0.00 O ATOM 678 ND2 ASN A 44 5.715 -4.628 1.527 1.00 0.00 N ATOM 0 H ASN A 44 6.494 -2.044 3.251 1.00 0.00 H new ATOM 0 HA ASN A 44 7.969 -2.609 0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.037 -2.054 1.337 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.703 -1.849 -0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.631 -5.643 1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.816 -4.178 2.437 1.00 0.00 H new ATOM 685 N SER A 45 7.410 0.122 2.290 1.00 0.00 N ATOM 686 CA SER A 45 7.607 1.561 2.318 1.00 0.00 C ATOM 687 C SER A 45 6.455 2.260 1.593 1.00 0.00 C ATOM 688 O SER A 45 6.597 2.667 0.441 1.00 0.00 O ATOM 689 CB SER A 45 8.945 1.947 1.684 1.00 0.00 C ATOM 690 OG SER A 45 10.038 1.733 2.573 1.00 0.00 O ATOM 0 H SER A 45 7.276 -0.308 3.205 1.00 0.00 H new ATOM 0 HA SER A 45 7.623 1.884 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.097 1.364 0.775 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.917 2.996 1.389 1.00 0.00 H new ATOM 0 HG SER A 45 10.874 1.990 2.131 1.00 0.00 H new ATOM 696 N GLY A 46 5.339 2.379 2.298 1.00 0.00 N ATOM 697 CA GLY A 46 4.164 3.022 1.736 1.00 0.00 C ATOM 698 C GLY A 46 4.011 2.684 0.252 1.00 0.00 C ATOM 699 O GLY A 46 4.560 3.374 -0.605 1.00 0.00 O ATOM 0 H GLY A 46 5.224 2.041 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.275 2.702 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.242 4.102 1.861 1.00 0.00 H new ATOM 703 N ALA A 47 3.261 1.622 -0.006 1.00 0.00 N ATOM 704 CA ALA A 47 3.029 1.184 -1.372 1.00 0.00 C ATOM 705 C ALA A 47 1.948 0.101 -1.379 1.00 0.00 C ATOM 706 O ALA A 47 2.233 -1.067 -1.119 1.00 0.00 O ATOM 707 CB ALA A 47 4.345 0.698 -1.983 1.00 0.00 C ATOM 0 H ALA A 47 2.806 1.052 0.708 1.00 0.00 H new ATOM 0 HA ALA A 47 2.671 2.011 -1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.171 0.369 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.070 1.512 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.733 -0.134 -1.396 1.00 0.00 H new ATOM 713 N VAL A 48 0.730 0.528 -1.679 1.00 0.00 N ATOM 714 CA VAL A 48 -0.395 -0.391 -1.724 1.00 0.00 C ATOM 715 C VAL A 48 -0.196 -1.379 -2.874 1.00 0.00 C ATOM 716 O VAL A 48 -0.122 -2.587 -2.654 1.00 0.00 O ATOM 717 CB VAL A 48 -1.706 0.392 -1.828 1.00 0.00 C ATOM 718 CG1 VAL A 48 -2.904 -0.555 -1.913 1.00 0.00 C ATOM 719 CG2 VAL A 48 -1.857 1.366 -0.658 1.00 0.00 C ATOM 0 H VAL A 48 0.498 1.498 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.451 -0.972 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.676 0.977 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.823 0.027 -1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.805 -1.189 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.939 -1.178 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.797 1.910 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.855 0.811 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.027 2.072 -0.663 1.00 0.00 H new ATOM 729 N ASP A 49 -0.114 -0.829 -4.077 1.00 0.00 N ATOM 730 CA ASP A 49 0.076 -1.648 -5.263 1.00 0.00 C ATOM 731 C ASP A 49 1.075 -2.764 -4.952 1.00 0.00 C ATOM 732 O ASP A 49 0.986 -3.855 -5.514 1.00 0.00 O ATOM 733 CB ASP A 49 0.637 -0.819 -6.420 1.00 0.00 C ATOM 734 CG ASP A 49 -0.146 -0.924 -7.730 1.00 0.00 C ATOM 735 OD1 ASP A 49 -0.300 -2.068 -8.210 1.00 0.00 O ATOM 736 OD2 ASP A 49 -0.574 0.142 -8.222 1.00 0.00 O ATOM 0 H ASP A 49 -0.176 0.173 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.893 -2.057 -5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.668 0.227 -6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.666 -1.128 -6.603 1.00 0.00 H new ATOM 741 N ALA A 50 2.002 -2.453 -4.059 1.00 0.00 N ATOM 742 CA ALA A 50 3.017 -3.417 -3.667 1.00 0.00 C ATOM 743 C ALA A 50 2.501 -4.244 -2.489 1.00 0.00 C ATOM 744 O ALA A 50 2.384 -5.464 -2.586 1.00 0.00 O ATOM 745 CB ALA A 50 4.319 -2.682 -3.339 1.00 0.00 C ATOM 0 H ALA A 50 2.072 -1.547 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 50 3.229 -4.106 -4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.080 -3.404 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.659 -2.134 -4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.146 -1.983 -2.520 1.00 0.00 H new ATOM 751 N THR A 51 2.204 -3.546 -1.402 1.00 0.00 N ATOM 752 CA THR A 51 1.703 -4.201 -0.206 1.00 0.00 C ATOM 753 C THR A 51 0.714 -5.307 -0.578 1.00 0.00 C ATOM 754 O THR A 51 0.581 -6.294 0.143 1.00 0.00 O ATOM 755 CB THR A 51 1.100 -3.127 0.703 1.00 0.00 C ATOM 756 OG1 THR A 51 2.188 -2.245 0.968 1.00 0.00 O ATOM 757 CG2 THR A 51 0.720 -3.673 2.081 1.00 0.00 C ATOM 0 H THR A 51 2.301 -2.534 -1.325 1.00 0.00 H new ATOM 0 HA THR A 51 2.506 -4.697 0.340 1.00 0.00 H new ATOM 0 HB THR A 51 0.218 -2.700 0.225 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.158 -1.491 0.343 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.297 -2.871 2.686 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.017 -4.468 1.967 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.608 -4.069 2.573 1.00 0.00 H new ATOM 765 N ILE A 52 0.045 -5.104 -1.703 1.00 0.00 N ATOM 766 CA ILE A 52 -0.928 -6.072 -2.180 1.00 0.00 C ATOM 767 C ILE A 52 -0.200 -7.336 -2.643 1.00 0.00 C ATOM 768 O ILE A 52 -0.366 -8.403 -2.055 1.00 0.00 O ATOM 769 CB ILE A 52 -1.821 -5.449 -3.255 1.00 0.00 C ATOM 770 CG1 ILE A 52 -2.757 -4.400 -2.650 1.00 0.00 C ATOM 771 CG2 ILE A 52 -2.589 -6.528 -4.022 1.00 0.00 C ATOM 772 CD1 ILE A 52 -3.501 -3.633 -3.744 1.00 0.00 C ATOM 0 H ILE A 52 0.157 -4.283 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.598 -6.367 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.183 -4.935 -3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.475 -4.886 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.182 -3.704 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.216 -6.059 -4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.883 -7.205 -4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.216 -7.090 -3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.159 -2.894 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.781 -3.128 -4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.094 -4.329 -4.337 1.00 0.00 H new ATOM 784 N ASP A 53 0.592 -7.173 -3.693 1.00 0.00 N ATOM 785 CA ASP A 53 1.347 -8.287 -4.241 1.00 0.00 C ATOM 786 C ASP A 53 1.922 -9.122 -3.094 1.00 0.00 C ATOM 787 O ASP A 53 1.983 -10.347 -3.184 1.00 0.00 O ATOM 788 CB ASP A 53 2.514 -7.793 -5.097 1.00 0.00 C ATOM 789 CG ASP A 53 3.035 -8.802 -6.123 1.00 0.00 C ATOM 790 OD1 ASP A 53 2.373 -8.935 -7.175 1.00 0.00 O ATOM 791 OD2 ASP A 53 4.085 -9.416 -5.833 1.00 0.00 O ATOM 0 H ASP A 53 0.727 -6.286 -4.179 1.00 0.00 H new ATOM 0 HA ASP A 53 0.672 -8.880 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.203 -6.890 -5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.335 -7.511 -4.438 1.00 0.00 H new ATOM 796 N GLN A 54 2.328 -8.424 -2.043 1.00 0.00 N ATOM 797 CA GLN A 54 2.896 -9.086 -0.881 1.00 0.00 C ATOM 798 C GLN A 54 1.859 -10.008 -0.236 1.00 0.00 C ATOM 799 O GLN A 54 1.975 -11.230 -0.316 1.00 0.00 O ATOM 800 CB GLN A 54 3.424 -8.064 0.128 1.00 0.00 C ATOM 801 CG GLN A 54 4.945 -7.935 0.032 1.00 0.00 C ATOM 802 CD GLN A 54 5.346 -7.008 -1.117 1.00 0.00 C ATOM 803 OE1 GLN A 54 4.517 -6.436 -1.805 1.00 0.00 O ATOM 804 NE2 GLN A 54 6.660 -6.892 -1.286 1.00 0.00 N ATOM 0 H GLN A 54 2.275 -7.408 -1.972 1.00 0.00 H new ATOM 0 HA GLN A 54 3.740 -9.693 -1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.961 -7.094 -0.055 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.144 -8.366 1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.341 -7.548 0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.388 -8.919 -0.119 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.300 -7.399 -0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.028 -6.296 -2.027 1.00 0.00 H new ATOM 813 N LEU A 55 0.870 -9.387 0.389 1.00 0.00 N ATOM 814 CA LEU A 55 -0.187 -10.137 1.048 1.00 0.00 C ATOM 815 C LEU A 55 -0.678 -11.245 0.114 1.00 0.00 C ATOM 816 O LEU A 55 -1.040 -12.329 0.568 1.00 0.00 O ATOM 817 CB LEU A 55 -1.296 -9.196 1.522 1.00 0.00 C ATOM 818 CG LEU A 55 -0.865 -8.076 2.472 1.00 0.00 C ATOM 819 CD1 LEU A 55 -1.938 -6.990 2.563 1.00 0.00 C ATOM 820 CD2 LEU A 55 -0.499 -8.636 3.848 1.00 0.00 C ATOM 0 H LEU A 55 0.778 -8.373 0.453 1.00 0.00 H new ATOM 0 HA LEU A 55 0.193 -10.622 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.761 -8.744 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.063 -9.791 2.018 1.00 0.00 H new ATOM 0 HG LEU A 55 0.032 -7.609 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.606 -6.207 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.108 -6.563 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.866 -7.425 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.196 -7.820 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.363 -9.144 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.324 -9.344 3.746 1.00 0.00 H new ATOM 832 N LEU A 56 -0.675 -10.934 -1.174 1.00 0.00 N ATOM 833 CA LEU A 56 -1.116 -11.890 -2.176 1.00 0.00 C ATOM 834 C LEU A 56 -0.301 -13.177 -2.039 1.00 0.00 C ATOM 835 O LEU A 56 -0.824 -14.205 -1.613 1.00 0.00 O ATOM 836 CB LEU A 56 -1.055 -11.268 -3.573 1.00 0.00 C ATOM 837 CG LEU A 56 -2.230 -10.368 -3.958 1.00 0.00 C ATOM 838 CD1 LEU A 56 -1.798 -9.306 -4.971 1.00 0.00 C ATOM 839 CD2 LEU A 56 -3.413 -11.196 -4.465 1.00 0.00 C ATOM 0 H LEU A 56 -0.374 -10.034 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.161 -12.156 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.137 -10.686 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.985 -12.073 -4.305 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.565 -9.843 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.652 -8.679 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.012 -8.688 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.422 -9.793 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.235 -10.531 -4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.108 -11.767 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.740 -11.881 -3.682 1.00 0.00 H new ATOM 851 N GLN A 57 0.968 -13.079 -2.409 1.00 0.00 N ATOM 852 CA GLN A 57 1.860 -14.223 -2.334 1.00 0.00 C ATOM 853 C GLN A 57 1.781 -14.867 -0.948 1.00 0.00 C ATOM 854 O GLN A 57 1.495 -16.058 -0.829 1.00 0.00 O ATOM 855 CB GLN A 57 3.297 -13.821 -2.670 1.00 0.00 C ATOM 856 CG GLN A 57 3.434 -13.459 -4.150 1.00 0.00 C ATOM 857 CD GLN A 57 4.458 -12.340 -4.349 1.00 0.00 C ATOM 858 OE1 GLN A 57 4.660 -11.490 -3.498 1.00 0.00 O ATOM 859 NE2 GLN A 57 5.091 -12.387 -5.518 1.00 0.00 N ATOM 0 H GLN A 57 1.399 -12.225 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 57 1.541 -14.957 -3.074 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.594 -12.971 -2.055 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.974 -14.641 -2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.737 -14.339 -4.717 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.467 -13.145 -4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.874 -13.126 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.794 -11.684 -5.746 1.00 0.00 H new ATOM 868 N MET A 58 2.038 -14.052 0.064 1.00 0.00 N ATOM 869 CA MET A 58 2.000 -14.528 1.436 1.00 0.00 C ATOM 870 C MET A 58 0.844 -15.509 1.644 1.00 0.00 C ATOM 871 O MET A 58 1.043 -16.607 2.163 1.00 0.00 O ATOM 872 CB MET A 58 1.836 -13.338 2.385 1.00 0.00 C ATOM 873 CG MET A 58 3.161 -12.594 2.563 1.00 0.00 C ATOM 874 SD MET A 58 2.858 -10.844 2.744 1.00 0.00 S ATOM 875 CE MET A 58 1.810 -10.859 4.190 1.00 0.00 C ATOM 0 H MET A 58 2.273 -13.065 -0.039 1.00 0.00 H new ATOM 0 HA MET A 58 2.935 -15.047 1.647 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.082 -12.656 1.993 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.477 -13.687 3.353 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.686 -12.973 3.440 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.807 -12.773 1.703 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.989 -9.959 4.778 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.765 -10.890 3.882 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.036 -11.738 4.794 1.00 0.00 H new ATOM 885 N ASN A 59 -0.338 -15.079 1.229 1.00 0.00 N ATOM 886 CA ASN A 59 -1.525 -15.906 1.363 1.00 0.00 C ATOM 887 C ASN A 59 -1.386 -17.138 0.467 1.00 0.00 C ATOM 888 O ASN A 59 -1.747 -18.244 0.867 1.00 0.00 O ATOM 889 CB ASN A 59 -2.779 -15.144 0.928 1.00 0.00 C ATOM 890 CG ASN A 59 -4.011 -15.637 1.689 1.00 0.00 C ATOM 891 OD1 ASN A 59 -4.622 -16.637 1.351 1.00 0.00 O ATOM 892 ND2 ASN A 59 -4.341 -14.881 2.732 1.00 0.00 N ATOM 0 H ASN A 59 -0.499 -14.168 0.799 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.621 -16.191 2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.641 -14.077 1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.933 -15.272 -0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.149 -15.126 3.304 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.786 -14.056 2.960 1.00 0.00 H new ATOM 899 N LEU A 60 -0.862 -16.907 -0.728 1.00 0.00 N ATOM 900 CA LEU A 60 -0.672 -17.984 -1.683 1.00 0.00 C ATOM 901 C LEU A 60 0.187 -19.079 -1.046 1.00 0.00 C ATOM 902 O LEU A 60 -0.291 -20.186 -0.804 1.00 0.00 O ATOM 903 CB LEU A 60 -0.103 -17.442 -2.996 1.00 0.00 C ATOM 904 CG LEU A 60 -0.994 -16.459 -3.757 1.00 0.00 C ATOM 905 CD1 LEU A 60 -0.173 -15.627 -4.745 1.00 0.00 C ATOM 906 CD2 LEU A 60 -2.152 -17.186 -4.444 1.00 0.00 C ATOM 0 H LEU A 60 -0.563 -15.989 -1.056 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.629 -18.438 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.846 -16.951 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.115 -18.286 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.431 -15.767 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.830 -14.936 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.586 -15.063 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.311 -16.288 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.770 -16.464 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.756 -17.916 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.757 -17.697 -3.695 1.00 0.00 H new ATOM 918 N GLU A 61 1.440 -18.731 -0.793 1.00 0.00 N ATOM 919 CA GLU A 61 2.370 -19.670 -0.188 1.00 0.00 C ATOM 920 C GLU A 61 2.596 -20.864 -1.117 1.00 0.00 C ATOM 921 O GLU A 61 1.986 -21.918 -0.939 1.00 0.00 O ATOM 922 CB GLU A 61 1.873 -20.128 1.184 1.00 0.00 C ATOM 923 CG GLU A 61 3.044 -20.495 2.097 1.00 0.00 C ATOM 924 CD GLU A 61 2.780 -20.044 3.536 1.00 0.00 C ATOM 925 OE1 GLU A 61 1.697 -20.398 4.051 1.00 0.00 O ATOM 926 OE2 GLU A 61 3.666 -19.356 4.087 1.00 0.00 O ATOM 0 H GLU A 61 1.833 -17.812 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 61 3.324 -19.163 -0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.283 -19.335 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.215 -20.989 1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.204 -21.573 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.958 -20.029 1.728 1.00 0.00 H new ATOM 933 N SER A 62 3.475 -20.661 -2.088 1.00 0.00 N ATOM 934 CA SER A 62 3.789 -21.708 -3.044 1.00 0.00 C ATOM 935 C SER A 62 2.503 -22.391 -3.514 1.00 0.00 C ATOM 936 O SER A 62 2.102 -23.415 -2.964 1.00 0.00 O ATOM 937 CB SER A 62 4.745 -22.738 -2.439 1.00 0.00 C ATOM 938 OG SER A 62 5.341 -23.563 -3.436 1.00 0.00 O ATOM 0 H SER A 62 3.979 -19.786 -2.233 1.00 0.00 H new ATOM 0 HA SER A 62 4.284 -21.251 -3.900 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.526 -22.223 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.203 -23.362 -1.728 1.00 0.00 H new ATOM 0 HG SER A 62 5.945 -24.206 -3.010 1.00 0.00 H new ATOM 944 N GLY A 63 1.891 -21.795 -4.527 1.00 0.00 N ATOM 945 CA GLY A 63 0.658 -22.332 -5.078 1.00 0.00 C ATOM 946 C GLY A 63 0.609 -22.147 -6.596 1.00 0.00 C ATOM 947 O GLY A 63 1.648 -22.056 -7.248 1.00 0.00 O ATOM 0 H GLY A 63 2.226 -20.945 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.578 -23.391 -4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.196 -21.834 -4.620 1.00 0.00 H new ATOM 951 N PRO A 64 -0.642 -22.094 -7.128 1.00 0.00 N ATOM 952 CA PRO A 64 -0.840 -21.921 -8.557 1.00 0.00 C ATOM 953 C PRO A 64 -0.563 -20.477 -8.978 1.00 0.00 C ATOM 954 O PRO A 64 0.101 -20.237 -9.985 1.00 0.00 O ATOM 955 CB PRO A 64 -2.277 -22.348 -8.809 1.00 0.00 C ATOM 956 CG PRO A 64 -2.969 -22.301 -7.456 1.00 0.00 C ATOM 957 CD PRO A 64 -1.895 -22.198 -6.386 1.00 0.00 C ATOM 0 HA PRO A 64 -0.150 -22.519 -9.153 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.764 -21.681 -9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.318 -23.351 -9.234 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.644 -21.447 -7.402 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.573 -23.195 -7.305 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.052 -21.327 -5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.899 -23.073 -5.736 1.00 0.00 H new ATOM 965 N SER A 65 -1.086 -19.553 -8.186 1.00 0.00 N ATOM 966 CA SER A 65 -0.903 -18.138 -8.464 1.00 0.00 C ATOM 967 C SER A 65 -1.539 -17.783 -9.809 1.00 0.00 C ATOM 968 O SER A 65 -1.024 -18.158 -10.861 1.00 0.00 O ATOM 969 CB SER A 65 0.581 -17.764 -8.463 1.00 0.00 C ATOM 970 OG SER A 65 0.822 -16.535 -9.143 1.00 0.00 O ATOM 0 H SER A 65 -1.637 -19.756 -7.352 1.00 0.00 H new ATOM 0 HA SER A 65 -1.394 -17.568 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.934 -17.685 -7.435 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.156 -18.560 -8.937 1.00 0.00 H new ATOM 0 HG SER A 65 1.780 -16.330 -9.119 1.00 0.00 H new ATOM 976 N SER A 66 -2.649 -17.064 -9.731 1.00 0.00 N ATOM 977 CA SER A 66 -3.360 -16.654 -10.930 1.00 0.00 C ATOM 978 C SER A 66 -3.256 -15.138 -11.108 1.00 0.00 C ATOM 979 O SER A 66 -2.764 -14.662 -12.130 1.00 0.00 O ATOM 980 CB SER A 66 -4.828 -17.081 -10.873 1.00 0.00 C ATOM 981 OG SER A 66 -5.545 -16.687 -12.039 1.00 0.00 O ATOM 0 H SER A 66 -3.073 -16.755 -8.856 1.00 0.00 H new ATOM 0 HA SER A 66 -2.899 -17.147 -11.786 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.886 -18.164 -10.760 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.299 -16.643 -9.993 1.00 0.00 H new ATOM 0 HG SER A 66 -6.477 -16.980 -11.964 1.00 0.00 H new ATOM 987 N GLY A 67 -3.726 -14.422 -10.097 1.00 0.00 N ATOM 988 CA GLY A 67 -3.691 -12.969 -10.129 1.00 0.00 C ATOM 989 C GLY A 67 -2.516 -12.431 -9.311 1.00 0.00 C ATOM 990 O GLY A 67 -2.452 -11.237 -9.022 1.00 0.00 O ATOM 0 H GLY A 67 -4.133 -14.820 -9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.608 -12.626 -11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.626 -12.570 -9.735 1.00 0.00 H new TER 994 GLY A 67