USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 600 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 50 THR OG1 : rot 180:sc= 0.0108 USER MOD Set 1.2: A 54 ASN : amide:sc= -0.479 K(o=-4.3,f=-6.4!) USER MOD Set 1.3: A 69 CYS SG : rot -10:sc= -3.86! USER MOD Set 2.1: A 33 LYS NZ :NH3+ 174:sc= 2.46 (180deg=1.17) USER MOD Set 2.2: A 63 THR OG1 : rot -39:sc= 1.69 USER MOD Single : A 3 LYS NZ :NH3+ -158:sc= 1.29 (180deg=0.741) USER MOD Single : A 7 THR OG1 : rot 31:sc= 1.12 USER MOD Single : A 8 SER OG : rot -10:sc= 0.92 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0.975 (180deg=0.646) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 71:sc= -0.117 USER MOD Single : A 26 ASN : amide:sc= -0.638 K(o=-0.64,f=-4.3!) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 1.21 (180deg=1.16) USER MOD Single : A 32 SER OG : rot 180:sc= -0.487 USER MOD Single : A 38 SER OG : rot 71:sc= 0.814 USER MOD Single : A 39 ASN : amide:sc= -0.012 K(o=-0.012,f=-0.93) USER MOD Single : A 42 SER OG : rot -34:sc= 0.499 USER MOD Single : A 45 TYR OH : rot 30:sc= 0.452 USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.0182 (180deg=-0.18) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00735 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.548 USER MOD Single : A 58 LYS NZ :NH3+ -147:sc= 1.16 (180deg=0.894) USER MOD Single : A 59 ASN : amide:sc= -0.153 K(o=-0.15,f=-5.1!) USER MOD Single : A 61 MET CE :methyl -143:sc= -0.194 (180deg=-0.973) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 70 THR OG1 : rot -45:sc= 0.505 USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= -0.127 (180deg=-0.636) USER MOD Single : A 72 ASN :FLIP amide:sc= -4.23! C(o=-8.6!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.727 -1.729 6.341 1.00 0.00 N ATOM 39 CA LYS A 3 -18.595 -1.506 5.451 1.00 0.00 C ATOM 40 C LYS A 3 -17.347 -2.224 5.967 1.00 0.00 C ATOM 41 O LYS A 3 -17.211 -2.474 7.164 1.00 0.00 O ATOM 42 CB LYS A 3 -18.322 -0.008 5.297 1.00 0.00 C ATOM 43 CG LYS A 3 -19.502 0.774 4.743 1.00 0.00 C ATOM 44 CD LYS A 3 -19.111 2.205 4.412 1.00 0.00 C ATOM 45 CE LYS A 3 -20.319 3.044 4.026 1.00 0.00 C ATOM 46 NZ LYS A 3 -19.924 4.393 3.534 1.00 0.00 N ATOM 0 HA LYS A 3 -18.846 -1.917 4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.048 0.404 6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.464 0.130 4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.879 0.281 3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.314 0.776 5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.616 2.655 5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.391 2.205 3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.887 2.528 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.977 3.150 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.726 5.048 3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.119 4.744 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.651 4.331 2.532 1.00 0.00 H new ATOM 60 N ASP A 4 -16.446 -2.550 5.054 1.00 0.00 N ATOM 61 CA ASP A 4 -15.287 -3.381 5.364 1.00 0.00 C ATOM 62 C ASP A 4 -13.985 -2.633 5.093 1.00 0.00 C ATOM 63 O ASP A 4 -13.887 -1.868 4.138 1.00 0.00 O ATOM 64 CB ASP A 4 -15.341 -4.666 4.528 1.00 0.00 C ATOM 65 CG ASP A 4 -14.106 -5.528 4.692 1.00 0.00 C ATOM 66 OD1 ASP A 4 -14.024 -6.273 5.691 1.00 0.00 O ATOM 67 OD2 ASP A 4 -13.217 -5.476 3.821 1.00 0.00 O ATOM 0 H ASP A 4 -16.494 -2.249 4.081 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.314 -3.633 6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.221 -5.243 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.459 -4.405 3.476 1.00 0.00 H new ATOM 72 N ILE A 5 -12.998 -2.835 5.954 1.00 0.00 N ATOM 73 CA ILE A 5 -11.681 -2.245 5.761 1.00 0.00 C ATOM 74 C ILE A 5 -11.002 -2.859 4.544 1.00 0.00 C ATOM 75 O ILE A 5 -10.566 -4.012 4.575 1.00 0.00 O ATOM 76 CB ILE A 5 -10.780 -2.431 7.007 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.330 -1.630 8.193 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.342 -2.016 6.707 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.368 -0.134 7.949 1.00 0.00 C ATOM 0 H ILE A 5 -13.085 -3.405 6.796 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.823 -1.176 5.602 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.782 -3.489 7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.338 -1.978 8.420 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.717 -1.831 9.072 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.730 -2.156 7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.948 -2.628 5.896 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.320 -0.967 6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.768 0.368 8.830 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.359 0.228 7.752 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.004 0.078 7.090 1.00 0.00 H new ATOM 91 N PHE A 6 -10.939 -2.089 3.470 1.00 0.00 N ATOM 92 CA PHE A 6 -10.328 -2.550 2.233 1.00 0.00 C ATOM 93 C PHE A 6 -8.817 -2.666 2.392 1.00 0.00 C ATOM 94 O PHE A 6 -8.139 -1.692 2.725 1.00 0.00 O ATOM 95 CB PHE A 6 -10.670 -1.594 1.087 1.00 0.00 C ATOM 96 CG PHE A 6 -10.044 -1.966 -0.228 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.575 -2.984 -0.999 1.00 0.00 C ATOM 98 CD2 PHE A 6 -8.923 -1.296 -0.691 1.00 0.00 C ATOM 99 CE1 PHE A 6 -10.003 -3.329 -2.208 1.00 0.00 C ATOM 100 CE2 PHE A 6 -8.346 -1.636 -1.898 1.00 0.00 C ATOM 101 CZ PHE A 6 -8.887 -2.654 -2.658 1.00 0.00 C ATOM 0 H PHE A 6 -11.305 -1.138 3.430 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.725 -3.537 1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.753 -1.561 0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.349 -0.588 1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.448 -3.516 -0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.496 -0.499 -0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.429 -4.126 -2.800 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.472 -1.106 -2.248 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.437 -2.921 -3.603 1.00 0.00 H new ATOM 111 N THR A 7 -8.300 -3.864 2.171 1.00 0.00 N ATOM 112 CA THR A 7 -6.872 -4.098 2.225 1.00 0.00 C ATOM 113 C THR A 7 -6.463 -5.086 1.133 1.00 0.00 C ATOM 114 O THR A 7 -7.230 -5.987 0.779 1.00 0.00 O ATOM 115 CB THR A 7 -6.436 -4.619 3.616 1.00 0.00 C ATOM 116 OG1 THR A 7 -5.008 -4.730 3.685 1.00 0.00 O ATOM 117 CG2 THR A 7 -7.068 -5.968 3.925 1.00 0.00 C ATOM 0 H THR A 7 -8.854 -4.692 1.952 1.00 0.00 H new ATOM 0 HA THR A 7 -6.366 -3.147 2.055 1.00 0.00 H new ATOM 0 HB THR A 7 -6.779 -3.899 4.359 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.599 -4.046 3.115 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.742 -6.306 4.909 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.154 -5.872 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.762 -6.694 3.172 1.00 0.00 H new ATOM 125 N SER A 8 -5.277 -4.888 0.571 1.00 0.00 N ATOM 126 CA SER A 8 -4.765 -5.746 -0.490 1.00 0.00 C ATOM 127 C SER A 8 -3.251 -5.628 -0.571 1.00 0.00 C ATOM 128 O SER A 8 -2.653 -4.767 0.073 1.00 0.00 O ATOM 129 CB SER A 8 -5.385 -5.361 -1.840 1.00 0.00 C ATOM 130 OG SER A 8 -6.797 -5.513 -1.824 1.00 0.00 O ATOM 0 H SER A 8 -4.646 -4.132 0.836 1.00 0.00 H new ATOM 0 HA SER A 8 -5.035 -6.777 -0.260 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.131 -4.328 -2.077 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.960 -5.982 -2.628 1.00 0.00 H new ATOM 0 HG SER A 8 -7.066 -5.984 -1.008 1.00 0.00 H new ATOM 136 N VAL A 9 -2.629 -6.492 -1.354 1.00 0.00 N ATOM 137 CA VAL A 9 -1.195 -6.420 -1.570 1.00 0.00 C ATOM 138 C VAL A 9 -0.892 -5.973 -2.996 1.00 0.00 C ATOM 139 O VAL A 9 -1.284 -6.627 -3.966 1.00 0.00 O ATOM 140 CB VAL A 9 -0.491 -7.767 -1.271 1.00 0.00 C ATOM 141 CG1 VAL A 9 -0.494 -8.054 0.223 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.150 -8.915 -2.027 1.00 0.00 C ATOM 0 H VAL A 9 -3.095 -7.252 -1.851 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.801 -5.682 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 9 0.541 -7.683 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.005 -9.004 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.033 -7.257 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.522 -8.107 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.633 -9.847 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.195 -8.996 -1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.094 -8.725 -3.099 1.00 0.00 H new ATOM 152 N VAL A 10 -0.222 -4.843 -3.124 1.00 0.00 N ATOM 153 CA VAL A 10 0.117 -4.307 -4.427 1.00 0.00 C ATOM 154 C VAL A 10 1.603 -4.519 -4.701 1.00 0.00 C ATOM 155 O VAL A 10 2.398 -4.619 -3.768 1.00 0.00 O ATOM 156 CB VAL A 10 -0.248 -2.804 -4.529 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.591 -1.965 -3.578 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.110 -2.305 -5.956 1.00 0.00 C ATOM 0 H VAL A 10 0.099 -4.278 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.464 -4.838 -5.181 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.292 -2.698 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.311 -0.916 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.418 -2.294 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.646 -2.082 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.372 -1.248 -5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.919 -2.437 -6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.778 -2.871 -6.606 1.00 0.00 H new ATOM 168 N ARG A 11 1.964 -4.626 -5.971 1.00 0.00 N ATOM 169 CA ARG A 11 3.346 -4.859 -6.352 1.00 0.00 C ATOM 170 C ARG A 11 4.166 -3.587 -6.189 1.00 0.00 C ATOM 171 O ARG A 11 3.918 -2.581 -6.855 1.00 0.00 O ATOM 172 CB ARG A 11 3.424 -5.377 -7.790 1.00 0.00 C ATOM 173 CG ARG A 11 4.841 -5.667 -8.260 1.00 0.00 C ATOM 174 CD ARG A 11 4.858 -6.645 -9.422 1.00 0.00 C ATOM 175 NE ARG A 11 4.054 -6.180 -10.552 1.00 0.00 N ATOM 176 CZ ARG A 11 4.399 -6.339 -11.831 1.00 0.00 C ATOM 177 NH1 ARG A 11 5.549 -6.922 -12.146 1.00 0.00 N ATOM 178 NH2 ARG A 11 3.590 -5.909 -12.792 1.00 0.00 N ATOM 0 H ARG A 11 1.316 -4.555 -6.756 1.00 0.00 H new ATOM 0 HA ARG A 11 3.764 -5.619 -5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.830 -6.288 -7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.973 -4.642 -8.456 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.322 -4.736 -8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.423 -6.074 -7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.886 -6.798 -9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.483 -7.612 -9.086 1.00 0.00 H new ATOM 0 HE ARG A 11 3.175 -5.704 -10.350 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.173 -7.251 -11.409 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.809 -7.042 -13.125 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.707 -5.458 -12.552 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.851 -6.029 -13.771 1.00 0.00 H new ATOM 192 N VAL A 12 5.137 -3.641 -5.289 1.00 0.00 N ATOM 193 CA VAL A 12 5.968 -2.486 -4.993 1.00 0.00 C ATOM 194 C VAL A 12 7.182 -2.448 -5.918 1.00 0.00 C ATOM 195 O VAL A 12 7.734 -3.487 -6.292 1.00 0.00 O ATOM 196 CB VAL A 12 6.425 -2.484 -3.512 1.00 0.00 C ATOM 197 CG1 VAL A 12 7.398 -3.613 -3.227 1.00 0.00 C ATOM 198 CG2 VAL A 12 7.044 -1.154 -3.132 1.00 0.00 C ATOM 0 H VAL A 12 5.368 -4.476 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 12 5.366 -1.593 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 12 5.535 -2.640 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.697 -3.580 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.918 -4.569 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.279 -3.502 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.355 -1.183 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.911 -0.963 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.312 -0.359 -3.271 1.00 0.00 H new ATOM 208 N ARG A 13 7.584 -1.246 -6.291 1.00 0.00 N ATOM 209 CA ARG A 13 8.714 -1.049 -7.179 1.00 0.00 C ATOM 210 C ARG A 13 9.755 -0.167 -6.489 1.00 0.00 C ATOM 211 O ARG A 13 9.572 0.217 -5.334 1.00 0.00 O ATOM 212 CB ARG A 13 8.236 -0.398 -8.478 1.00 0.00 C ATOM 213 CG ARG A 13 9.022 -0.825 -9.704 1.00 0.00 C ATOM 214 CD ARG A 13 8.501 -0.150 -10.960 1.00 0.00 C ATOM 215 NE ARG A 13 8.807 1.281 -10.986 1.00 0.00 N ATOM 216 CZ ARG A 13 9.171 1.945 -12.083 1.00 0.00 C ATOM 217 NH1 ARG A 13 9.296 1.312 -13.243 1.00 0.00 N ATOM 218 NH2 ARG A 13 9.422 3.246 -12.017 1.00 0.00 N ATOM 0 H ARG A 13 7.137 -0.381 -5.987 1.00 0.00 H new ATOM 0 HA ARG A 13 9.169 -2.010 -7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.184 -0.641 -8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.301 0.685 -8.376 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.075 -0.578 -9.567 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.960 -1.907 -9.819 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.938 -0.629 -11.836 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.422 -0.290 -11.025 1.00 0.00 H new ATOM 0 HE ARG A 13 8.738 1.802 -10.112 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.113 0.310 -13.300 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.575 1.827 -14.078 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.336 3.737 -11.127 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.701 3.755 -12.856 1.00 0.00 H new ATOM 232 N GLY A 14 10.849 0.132 -7.175 1.00 0.00 N ATOM 233 CA GLY A 14 11.837 1.039 -6.624 1.00 0.00 C ATOM 234 C GLY A 14 13.034 0.320 -6.037 1.00 0.00 C ATOM 235 O GLY A 14 13.174 -0.896 -6.192 1.00 0.00 O ATOM 0 H GLY A 14 11.070 -0.236 -8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.175 1.719 -7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.371 1.650 -5.851 1.00 0.00 H new ATOM 239 N SER A 15 13.895 1.071 -5.362 1.00 0.00 N ATOM 240 CA SER A 15 15.095 0.516 -4.758 1.00 0.00 C ATOM 241 C SER A 15 14.773 -0.155 -3.423 1.00 0.00 C ATOM 242 O SER A 15 14.752 0.491 -2.373 1.00 0.00 O ATOM 243 CB SER A 15 16.140 1.616 -4.564 1.00 0.00 C ATOM 244 OG SER A 15 16.451 2.252 -5.795 1.00 0.00 O ATOM 0 H SER A 15 13.781 2.075 -5.220 1.00 0.00 H new ATOM 0 HA SER A 15 15.500 -0.243 -5.428 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.767 2.354 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.046 1.189 -4.133 1.00 0.00 H new ATOM 0 HG SER A 15 17.120 2.952 -5.642 1.00 0.00 H new ATOM 250 N LYS A 16 14.495 -1.449 -3.482 1.00 0.00 N ATOM 251 CA LYS A 16 14.163 -2.229 -2.300 1.00 0.00 C ATOM 252 C LYS A 16 14.431 -3.708 -2.554 1.00 0.00 C ATOM 253 O LYS A 16 15.056 -4.066 -3.551 1.00 0.00 O ATOM 254 CB LYS A 16 12.695 -2.005 -1.883 1.00 0.00 C ATOM 255 CG LYS A 16 11.699 -1.897 -3.038 1.00 0.00 C ATOM 256 CD LYS A 16 11.777 -3.083 -3.988 1.00 0.00 C ATOM 257 CE LYS A 16 10.637 -3.075 -4.984 1.00 0.00 C ATOM 258 NZ LYS A 16 10.848 -4.061 -6.076 1.00 0.00 N ATOM 0 H LYS A 16 14.493 -1.987 -4.349 1.00 0.00 H new ATOM 0 HA LYS A 16 14.797 -1.895 -1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.389 -2.827 -1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.638 -1.093 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.688 -1.823 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.889 -0.978 -3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.727 -3.061 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.754 -4.010 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.703 -3.299 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.535 -2.077 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.139 -3.910 -6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.801 -3.940 -6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.751 -5.025 -5.697 1.00 0.00 H new ATOM 272 N LYS A 17 13.944 -4.562 -1.666 1.00 0.00 N ATOM 273 CA LYS A 17 14.166 -5.994 -1.794 1.00 0.00 C ATOM 274 C LYS A 17 12.834 -6.748 -1.730 1.00 0.00 C ATOM 275 O LYS A 17 12.792 -7.954 -1.492 1.00 0.00 O ATOM 276 CB LYS A 17 15.108 -6.459 -0.682 1.00 0.00 C ATOM 277 CG LYS A 17 15.796 -7.784 -0.959 1.00 0.00 C ATOM 278 CD LYS A 17 16.793 -8.110 0.135 1.00 0.00 C ATOM 279 CE LYS A 17 17.533 -9.404 -0.140 1.00 0.00 C ATOM 280 NZ LYS A 17 18.525 -9.701 0.925 1.00 0.00 N ATOM 0 H LYS A 17 13.394 -4.289 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 17 14.624 -6.206 -2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 17 15.868 -5.694 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.542 -6.544 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.052 -8.578 -1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 17 16.306 -7.740 -1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.510 -7.294 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.272 -8.186 1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.819 -10.224 -0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 17 18.040 -9.337 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.013 -10.593 0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.220 -8.929 0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.037 -9.789 1.839 1.00 0.00 H new ATOM 294 N TYR A 18 11.743 -6.026 -1.959 1.00 0.00 N ATOM 295 CA TYR A 18 10.411 -6.616 -1.923 1.00 0.00 C ATOM 296 C TYR A 18 9.732 -6.494 -3.273 1.00 0.00 C ATOM 297 O TYR A 18 10.187 -5.751 -4.126 1.00 0.00 O ATOM 298 CB TYR A 18 9.552 -5.953 -0.844 1.00 0.00 C ATOM 299 CG TYR A 18 9.999 -6.258 0.567 1.00 0.00 C ATOM 300 CD1 TYR A 18 9.623 -7.441 1.193 1.00 0.00 C ATOM 301 CD2 TYR A 18 10.795 -5.368 1.276 1.00 0.00 C ATOM 302 CE1 TYR A 18 10.024 -7.725 2.483 1.00 0.00 C ATOM 303 CE2 TYR A 18 11.200 -5.647 2.566 1.00 0.00 C ATOM 304 CZ TYR A 18 10.812 -6.825 3.164 1.00 0.00 C ATOM 305 OH TYR A 18 11.210 -7.103 4.452 1.00 0.00 O ATOM 0 H TYR A 18 11.756 -5.029 -2.172 1.00 0.00 H new ATOM 0 HA TYR A 18 10.521 -7.673 -1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.567 -4.873 -0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.519 -6.278 -0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 18 9.006 -8.150 0.661 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.102 -4.443 0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 18 9.721 -8.648 2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.819 -4.944 3.104 1.00 0.00 H new ATOM 0 HH TYR A 18 11.762 -6.367 4.790 1.00 0.00 H new ATOM 315 N ASN A 19 8.655 -7.235 -3.472 1.00 0.00 N ATOM 316 CA ASN A 19 7.893 -7.141 -4.713 1.00 0.00 C ATOM 317 C ASN A 19 6.427 -6.845 -4.438 1.00 0.00 C ATOM 318 O ASN A 19 5.637 -6.691 -5.366 1.00 0.00 O ATOM 319 CB ASN A 19 8.011 -8.431 -5.531 1.00 0.00 C ATOM 320 CG ASN A 19 9.246 -8.467 -6.415 1.00 0.00 C ATOM 321 OD1 ASN A 19 10.278 -7.875 -6.099 1.00 0.00 O ATOM 322 ND2 ASN A 19 9.148 -9.170 -7.533 1.00 0.00 N ATOM 0 H ASN A 19 8.287 -7.905 -2.797 1.00 0.00 H new ATOM 0 HA ASN A 19 8.315 -6.317 -5.289 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.033 -9.284 -4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.123 -8.542 -6.153 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.945 -9.234 -8.166 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.276 -9.647 -7.761 1.00 0.00 H new ATOM 329 N VAL A 20 6.069 -6.750 -3.164 1.00 0.00 N ATOM 330 CA VAL A 20 4.683 -6.526 -2.767 1.00 0.00 C ATOM 331 C VAL A 20 4.615 -5.751 -1.461 1.00 0.00 C ATOM 332 O VAL A 20 5.526 -5.827 -0.635 1.00 0.00 O ATOM 333 CB VAL A 20 3.895 -7.850 -2.599 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.604 -8.494 -3.946 1.00 0.00 C ATOM 335 CG2 VAL A 20 4.646 -8.818 -1.693 1.00 0.00 C ATOM 0 H VAL A 20 6.722 -6.825 -2.384 1.00 0.00 H new ATOM 0 HA VAL A 20 4.224 -5.950 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 20 2.941 -7.609 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.050 -9.421 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.010 -7.812 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.543 -8.712 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.073 -9.740 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.620 -9.043 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.783 -8.365 -0.711 1.00 0.00 H new ATOM 345 N VAL A 21 3.543 -4.994 -1.289 1.00 0.00 N ATOM 346 CA VAL A 21 3.314 -4.262 -0.057 1.00 0.00 C ATOM 347 C VAL A 21 1.818 -4.211 0.279 1.00 0.00 C ATOM 348 O VAL A 21 0.996 -3.775 -0.532 1.00 0.00 O ATOM 349 CB VAL A 21 3.908 -2.832 -0.125 1.00 0.00 C ATOM 350 CG1 VAL A 21 3.360 -2.057 -1.315 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.654 -2.079 1.172 1.00 0.00 C ATOM 0 H VAL A 21 2.815 -4.871 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 21 3.828 -4.797 0.741 1.00 0.00 H new ATOM 0 HB VAL A 21 4.985 -2.929 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.798 -1.059 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.613 -2.580 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.276 -1.977 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.080 -1.078 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.580 -2.005 1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.120 -2.613 2.000 1.00 0.00 H new ATOM 361 N PRO A 22 1.450 -4.732 1.460 1.00 0.00 N ATOM 362 CA PRO A 22 0.083 -4.654 1.980 1.00 0.00 C ATOM 363 C PRO A 22 -0.373 -3.221 2.227 1.00 0.00 C ATOM 364 O PRO A 22 0.173 -2.514 3.082 1.00 0.00 O ATOM 365 CB PRO A 22 0.142 -5.412 3.310 1.00 0.00 C ATOM 366 CG PRO A 22 1.390 -6.220 3.253 1.00 0.00 C ATOM 367 CD PRO A 22 2.337 -5.477 2.357 1.00 0.00 C ATOM 0 HA PRO A 22 -0.628 -5.069 1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.159 -4.723 4.154 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.733 -6.050 3.437 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.816 -6.347 4.248 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.189 -7.218 2.863 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.986 -4.810 2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.985 -6.158 1.805 1.00 0.00 H new ATOM 375 N VAL A 23 -1.370 -2.803 1.467 1.00 0.00 N ATOM 376 CA VAL A 23 -1.990 -1.503 1.643 1.00 0.00 C ATOM 377 C VAL A 23 -3.384 -1.685 2.230 1.00 0.00 C ATOM 378 O VAL A 23 -4.020 -2.723 2.021 1.00 0.00 O ATOM 379 CB VAL A 23 -2.081 -0.731 0.306 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.696 -0.478 -0.262 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.927 -1.487 -0.703 1.00 0.00 C ATOM 0 H VAL A 23 -1.772 -3.356 0.710 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.371 -0.918 2.323 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.559 0.228 0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.782 0.066 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.114 0.112 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.196 -1.430 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.974 -0.922 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.481 -2.463 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.934 -1.619 -0.307 1.00 0.00 H new ATOM 391 N LYS A 24 -3.858 -0.702 2.975 1.00 0.00 N ATOM 392 CA LYS A 24 -5.159 -0.808 3.611 1.00 0.00 C ATOM 393 C LYS A 24 -5.832 0.552 3.726 1.00 0.00 C ATOM 394 O LYS A 24 -5.225 1.589 3.454 1.00 0.00 O ATOM 395 CB LYS A 24 -5.022 -1.454 4.996 1.00 0.00 C ATOM 396 CG LYS A 24 -4.061 -0.724 5.922 1.00 0.00 C ATOM 397 CD LYS A 24 -3.873 -1.475 7.230 1.00 0.00 C ATOM 398 CE LYS A 24 -5.156 -1.528 8.042 1.00 0.00 C ATOM 399 NZ LYS A 24 -4.992 -2.342 9.274 1.00 0.00 N ATOM 0 H LYS A 24 -3.365 0.173 3.154 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.788 -1.440 2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.004 -1.495 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.684 -2.483 4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.097 -0.605 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.440 0.277 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.534 -2.489 7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.092 -0.992 7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.458 -0.516 8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.956 -1.948 7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.887 -2.356 9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.728 -3.314 9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.246 -1.927 9.868 1.00 0.00 H new ATOM 413 N SER A 25 -7.086 0.530 4.140 1.00 0.00 N ATOM 414 CA SER A 25 -7.876 1.736 4.284 1.00 0.00 C ATOM 415 C SER A 25 -8.100 2.034 5.757 1.00 0.00 C ATOM 416 O SER A 25 -8.488 1.149 6.522 1.00 0.00 O ATOM 417 CB SER A 25 -9.216 1.553 3.578 1.00 0.00 C ATOM 418 OG SER A 25 -9.032 1.042 2.270 1.00 0.00 O ATOM 0 H SER A 25 -7.584 -0.326 4.386 1.00 0.00 H new ATOM 0 HA SER A 25 -7.344 2.574 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.845 0.873 4.153 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.740 2.508 3.530 1.00 0.00 H new ATOM 0 HG SER A 25 -8.741 0.108 2.322 1.00 0.00 H new ATOM 424 N ASN A 26 -7.831 3.267 6.160 1.00 0.00 N ATOM 425 CA ASN A 26 -8.032 3.664 7.553 1.00 0.00 C ATOM 426 C ASN A 26 -9.514 3.916 7.821 1.00 0.00 C ATOM 427 O ASN A 26 -9.939 4.073 8.965 1.00 0.00 O ATOM 428 CB ASN A 26 -7.199 4.909 7.901 1.00 0.00 C ATOM 429 CG ASN A 26 -7.765 6.198 7.328 1.00 0.00 C ATOM 430 OD1 ASN A 26 -8.547 6.888 7.980 1.00 0.00 O ATOM 431 ND2 ASN A 26 -7.367 6.540 6.114 1.00 0.00 N ATOM 0 H ASN A 26 -7.477 4.006 5.553 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.694 2.848 8.192 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.133 5.001 8.985 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.183 4.772 7.531 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.710 7.401 5.689 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.717 5.942 5.603 1.00 0.00 H new ATOM 438 N LYS A 27 -10.294 3.935 6.750 1.00 0.00 N ATOM 439 CA LYS A 27 -11.731 4.135 6.838 1.00 0.00 C ATOM 440 C LYS A 27 -12.449 2.951 6.203 1.00 0.00 C ATOM 441 O LYS A 27 -11.961 2.384 5.225 1.00 0.00 O ATOM 442 CB LYS A 27 -12.123 5.440 6.141 1.00 0.00 C ATOM 443 CG LYS A 27 -11.483 6.667 6.767 1.00 0.00 C ATOM 444 CD LYS A 27 -11.652 7.903 5.903 1.00 0.00 C ATOM 445 CE LYS A 27 -10.937 9.099 6.510 1.00 0.00 C ATOM 446 NZ LYS A 27 -10.926 10.267 5.596 1.00 0.00 N ATOM 0 H LYS A 27 -9.949 3.812 5.798 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.024 4.205 7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.836 5.384 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.207 5.549 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.926 6.847 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.421 6.480 6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.259 7.709 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.712 8.129 5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.424 9.376 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.912 8.822 6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.072 10.834 5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.929 9.936 4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.770 10.850 5.768 1.00 0.00 H new ATOM 460 N PRO A 28 -13.595 2.540 6.766 1.00 0.00 N ATOM 461 CA PRO A 28 -14.357 1.398 6.253 1.00 0.00 C ATOM 462 C PRO A 28 -14.942 1.664 4.869 1.00 0.00 C ATOM 463 O PRO A 28 -15.574 2.696 4.626 1.00 0.00 O ATOM 464 CB PRO A 28 -15.466 1.206 7.288 1.00 0.00 C ATOM 465 CG PRO A 28 -15.603 2.530 7.958 1.00 0.00 C ATOM 466 CD PRO A 28 -14.234 3.150 7.944 1.00 0.00 C ATOM 0 HA PRO A 28 -13.730 0.516 6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.400 0.905 6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.207 0.426 8.004 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -16.321 3.160 7.433 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.968 2.414 8.979 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.285 4.235 7.856 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.684 2.930 8.859 1.00 0.00 H new ATOM 474 N VAL A 29 -14.728 0.715 3.971 1.00 0.00 N ATOM 475 CA VAL A 29 -15.117 0.858 2.581 1.00 0.00 C ATOM 476 C VAL A 29 -16.318 -0.023 2.266 1.00 0.00 C ATOM 477 O VAL A 29 -16.393 -1.174 2.694 1.00 0.00 O ATOM 478 CB VAL A 29 -13.954 0.469 1.646 1.00 0.00 C ATOM 479 CG1 VAL A 29 -14.244 0.888 0.214 1.00 0.00 C ATOM 480 CG2 VAL A 29 -12.647 1.069 2.144 1.00 0.00 C ATOM 0 H VAL A 29 -14.280 -0.175 4.188 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.380 1.903 2.418 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.853 -0.616 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.408 0.602 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.152 0.394 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.380 1.969 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.837 0.784 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.732 2.155 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.435 0.697 3.146 1.00 0.00 H new ATOM 490 N GLU A 30 -17.264 0.528 1.531 1.00 0.00 N ATOM 491 CA GLU A 30 -18.425 -0.227 1.097 1.00 0.00 C ATOM 492 C GLU A 30 -18.094 -1.002 -0.173 1.00 0.00 C ATOM 493 O GLU A 30 -17.324 -0.535 -1.014 1.00 0.00 O ATOM 494 CB GLU A 30 -19.606 0.717 0.884 1.00 0.00 C ATOM 495 CG GLU A 30 -19.282 1.900 -0.009 1.00 0.00 C ATOM 496 CD GLU A 30 -20.159 3.093 0.282 1.00 0.00 C ATOM 497 OE1 GLU A 30 -21.357 3.055 -0.060 1.00 0.00 O ATOM 498 OE2 GLU A 30 -19.650 4.075 0.865 1.00 0.00 O ATOM 0 H GLU A 30 -17.252 1.499 1.220 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.703 -0.947 1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -20.433 0.158 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.946 1.085 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.237 2.179 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.403 1.609 -1.052 1.00 0.00 H new ATOM 505 N ILE A 31 -18.687 -2.179 -0.311 1.00 0.00 N ATOM 506 CA ILE A 31 -18.334 -3.103 -1.387 1.00 0.00 C ATOM 507 C ILE A 31 -18.843 -2.647 -2.756 1.00 0.00 C ATOM 508 O ILE A 31 -18.658 -3.340 -3.754 1.00 0.00 O ATOM 509 CB ILE A 31 -18.837 -4.528 -1.085 1.00 0.00 C ATOM 510 CG1 ILE A 31 -20.321 -4.508 -0.702 1.00 0.00 C ATOM 511 CG2 ILE A 31 -17.998 -5.154 0.023 1.00 0.00 C ATOM 512 CD1 ILE A 31 -20.873 -5.869 -0.334 1.00 0.00 C ATOM 0 H ILE A 31 -19.419 -2.521 0.311 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.245 -3.110 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.732 -5.135 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -20.461 -3.829 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -20.897 -4.105 -1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -18.361 -6.161 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.956 -5.202 -0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.077 -4.548 0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -21.928 -5.776 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -20.766 -6.546 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -20.323 -6.266 0.519 1.00 0.00 H new ATOM 524 N SER A 32 -19.467 -1.482 -2.806 1.00 0.00 N ATOM 525 CA SER A 32 -19.858 -0.884 -4.072 1.00 0.00 C ATOM 526 C SER A 32 -18.678 -0.122 -4.676 1.00 0.00 C ATOM 527 O SER A 32 -18.506 -0.068 -5.895 1.00 0.00 O ATOM 528 CB SER A 32 -21.049 0.045 -3.851 1.00 0.00 C ATOM 529 OG SER A 32 -20.860 0.828 -2.684 1.00 0.00 O ATOM 0 H SER A 32 -19.714 -0.931 -1.984 1.00 0.00 H new ATOM 0 HA SER A 32 -20.151 -1.667 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 32 -21.175 0.696 -4.716 1.00 0.00 H new ATOM 0 HB3 SER A 32 -21.963 -0.542 -3.758 1.00 0.00 H new ATOM 0 HG SER A 32 -21.632 1.419 -2.558 1.00 0.00 H new ATOM 535 N LYS A 33 -17.854 0.444 -3.800 1.00 0.00 N ATOM 536 CA LYS A 33 -16.664 1.181 -4.213 1.00 0.00 C ATOM 537 C LYS A 33 -15.454 0.249 -4.233 1.00 0.00 C ATOM 538 O LYS A 33 -14.373 0.619 -4.688 1.00 0.00 O ATOM 539 CB LYS A 33 -16.412 2.350 -3.256 1.00 0.00 C ATOM 540 CG LYS A 33 -17.541 3.371 -3.227 1.00 0.00 C ATOM 541 CD LYS A 33 -17.408 4.323 -2.048 1.00 0.00 C ATOM 542 CE LYS A 33 -18.546 5.335 -2.016 1.00 0.00 C ATOM 543 NZ LYS A 33 -18.621 6.049 -0.714 1.00 0.00 N ATOM 0 H LYS A 33 -17.991 0.406 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.822 1.576 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.262 1.959 -2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.488 2.851 -3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.541 3.940 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.499 2.853 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.400 3.754 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.455 4.848 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.410 6.059 -2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.490 4.824 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.341 6.797 -0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.878 5.376 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -17.697 6.474 -0.497 1.00 0.00 H new ATOM 557 N TRP A 34 -15.666 -0.968 -3.743 1.00 0.00 N ATOM 558 CA TRP A 34 -14.614 -1.978 -3.649 1.00 0.00 C ATOM 559 C TRP A 34 -14.002 -2.261 -5.020 1.00 0.00 C ATOM 560 O TRP A 34 -12.784 -2.403 -5.155 1.00 0.00 O ATOM 561 CB TRP A 34 -15.205 -3.264 -3.059 1.00 0.00 C ATOM 562 CG TRP A 34 -14.190 -4.291 -2.656 1.00 0.00 C ATOM 563 CD1 TRP A 34 -13.605 -4.421 -1.429 1.00 0.00 C ATOM 564 CD2 TRP A 34 -13.651 -5.342 -3.469 1.00 0.00 C ATOM 565 NE1 TRP A 34 -12.732 -5.480 -1.432 1.00 0.00 N ATOM 566 CE2 TRP A 34 -12.742 -6.061 -2.672 1.00 0.00 C ATOM 567 CE3 TRP A 34 -13.849 -5.741 -4.795 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -12.030 -7.156 -3.157 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -13.144 -6.829 -5.273 1.00 0.00 C ATOM 570 CH2 TRP A 34 -12.245 -7.526 -4.457 1.00 0.00 C ATOM 0 H TRP A 34 -16.573 -1.284 -3.399 1.00 0.00 H new ATOM 0 HA TRP A 34 -13.822 -1.604 -3.000 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.806 -3.005 -2.187 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -15.880 -3.707 -3.791 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -13.801 -3.783 -0.580 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -12.167 -5.785 -0.639 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -14.539 -5.209 -5.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.334 -7.693 -2.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -13.289 -7.147 -6.295 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -11.710 -8.373 -4.861 1.00 0.00 H new ATOM 581 N ILE A 35 -14.855 -2.327 -6.035 1.00 0.00 N ATOM 582 CA ILE A 35 -14.417 -2.625 -7.392 1.00 0.00 C ATOM 583 C ILE A 35 -13.540 -1.500 -7.937 1.00 0.00 C ATOM 584 O ILE A 35 -12.513 -1.752 -8.569 1.00 0.00 O ATOM 585 CB ILE A 35 -15.623 -2.840 -8.332 1.00 0.00 C ATOM 586 CG1 ILE A 35 -16.567 -3.897 -7.749 1.00 0.00 C ATOM 587 CG2 ILE A 35 -15.150 -3.253 -9.720 1.00 0.00 C ATOM 588 CD1 ILE A 35 -17.841 -4.085 -8.542 1.00 0.00 C ATOM 0 H ILE A 35 -15.860 -2.177 -5.942 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.835 -3.546 -7.353 1.00 0.00 H new ATOM 0 HB ILE A 35 -16.167 -1.900 -8.421 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.040 -4.850 -7.695 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.824 -3.616 -6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.013 -3.400 -10.370 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.513 -2.472 -10.135 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.585 -4.183 -9.650 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -18.456 -4.849 -8.066 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -18.391 -3.145 -8.575 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -17.595 -4.397 -9.557 1.00 0.00 H new ATOM 600 N ASP A 36 -13.948 -0.263 -7.674 1.00 0.00 N ATOM 601 CA ASP A 36 -13.193 0.911 -8.108 1.00 0.00 C ATOM 602 C ASP A 36 -11.801 0.908 -7.495 1.00 0.00 C ATOM 603 O ASP A 36 -10.811 1.145 -8.186 1.00 0.00 O ATOM 604 CB ASP A 36 -13.930 2.199 -7.724 1.00 0.00 C ATOM 605 CG ASP A 36 -15.063 2.536 -8.673 1.00 0.00 C ATOM 606 OD1 ASP A 36 -15.831 1.623 -9.042 1.00 0.00 O ATOM 607 OD2 ASP A 36 -15.181 3.717 -9.065 1.00 0.00 O ATOM 0 H ASP A 36 -14.802 -0.045 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.099 0.871 -9.193 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.327 2.097 -6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.220 3.026 -7.706 1.00 0.00 H new ATOM 612 N PHE A 37 -11.735 0.617 -6.202 1.00 0.00 N ATOM 613 CA PHE A 37 -10.462 0.556 -5.488 1.00 0.00 C ATOM 614 C PHE A 37 -9.551 -0.503 -6.095 1.00 0.00 C ATOM 615 O PHE A 37 -8.346 -0.292 -6.236 1.00 0.00 O ATOM 616 CB PHE A 37 -10.690 0.262 -4.003 1.00 0.00 C ATOM 617 CG PHE A 37 -11.220 1.431 -3.220 1.00 0.00 C ATOM 618 CD1 PHE A 37 -11.961 2.428 -3.837 1.00 0.00 C ATOM 619 CD2 PHE A 37 -10.971 1.533 -1.863 1.00 0.00 C ATOM 620 CE1 PHE A 37 -12.443 3.500 -3.115 1.00 0.00 C ATOM 621 CE2 PHE A 37 -11.450 2.602 -1.135 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.187 3.586 -1.761 1.00 0.00 C ATOM 0 H PHE A 37 -12.551 0.418 -5.623 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.977 1.527 -5.583 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -11.389 -0.570 -3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.749 -0.062 -3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.163 2.364 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.394 0.766 -1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -13.019 4.270 -3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.248 2.669 -0.076 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.564 4.423 -1.192 1.00 0.00 H new ATOM 632 N SER A 38 -10.136 -1.634 -6.468 1.00 0.00 N ATOM 633 CA SER A 38 -9.387 -2.706 -7.104 1.00 0.00 C ATOM 634 C SER A 38 -8.825 -2.241 -8.449 1.00 0.00 C ATOM 635 O SER A 38 -7.691 -2.565 -8.808 1.00 0.00 O ATOM 636 CB SER A 38 -10.285 -3.929 -7.294 1.00 0.00 C ATOM 637 OG SER A 38 -10.853 -4.341 -6.059 1.00 0.00 O ATOM 0 H SER A 38 -11.129 -1.831 -6.340 1.00 0.00 H new ATOM 0 HA SER A 38 -8.551 -2.980 -6.460 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.079 -3.695 -8.003 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.706 -4.747 -7.723 1.00 0.00 H new ATOM 0 HG SER A 38 -11.529 -3.690 -5.777 1.00 0.00 H new ATOM 643 N ASN A 39 -9.619 -1.459 -9.174 1.00 0.00 N ATOM 644 CA ASN A 39 -9.192 -0.903 -10.455 1.00 0.00 C ATOM 645 C ASN A 39 -8.015 0.044 -10.263 1.00 0.00 C ATOM 646 O ASN A 39 -7.089 0.071 -11.073 1.00 0.00 O ATOM 647 CB ASN A 39 -10.344 -0.165 -11.144 1.00 0.00 C ATOM 648 CG ASN A 39 -11.427 -1.099 -11.651 1.00 0.00 C ATOM 649 OD1 ASN A 39 -11.153 -2.236 -12.038 1.00 0.00 O ATOM 650 ND2 ASN A 39 -12.667 -0.630 -11.656 1.00 0.00 N ATOM 0 H ASN A 39 -10.564 -1.195 -8.896 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.880 -1.732 -11.090 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.783 0.546 -10.444 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.950 0.413 -11.980 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.433 -1.216 -11.988 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.855 0.317 -11.328 1.00 0.00 H new ATOM 657 N VAL A 40 -8.053 0.813 -9.180 1.00 0.00 N ATOM 658 CA VAL A 40 -6.987 1.759 -8.875 1.00 0.00 C ATOM 659 C VAL A 40 -5.694 1.028 -8.523 1.00 0.00 C ATOM 660 O VAL A 40 -4.615 1.421 -8.961 1.00 0.00 O ATOM 661 CB VAL A 40 -7.376 2.706 -7.717 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.261 3.702 -7.431 1.00 0.00 C ATOM 663 CG2 VAL A 40 -8.667 3.439 -8.036 1.00 0.00 C ATOM 0 H VAL A 40 -8.812 0.799 -8.498 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.829 2.358 -9.771 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.531 2.099 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.559 4.357 -6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.355 3.164 -7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.069 4.300 -8.322 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.924 4.101 -7.209 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.536 4.028 -8.944 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.469 2.716 -8.185 1.00 0.00 H new ATOM 673 N LEU A 41 -5.804 -0.046 -7.750 1.00 0.00 N ATOM 674 CA LEU A 41 -4.627 -0.826 -7.366 1.00 0.00 C ATOM 675 C LEU A 41 -4.040 -1.561 -8.568 1.00 0.00 C ATOM 676 O LEU A 41 -2.874 -1.949 -8.564 1.00 0.00 O ATOM 677 CB LEU A 41 -4.966 -1.823 -6.255 1.00 0.00 C ATOM 678 CG LEU A 41 -5.360 -1.197 -4.916 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.558 -2.277 -3.867 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.308 -0.194 -4.460 1.00 0.00 C ATOM 0 H LEU A 41 -6.687 -0.397 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.880 -0.127 -6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.784 -2.458 -6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.104 -2.471 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.302 -0.665 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.838 -1.817 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.348 -2.956 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.630 -2.835 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.608 0.239 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.349 -0.700 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.213 0.597 -5.204 1.00 0.00 H new ATOM 692 N SER A 42 -4.853 -1.741 -9.601 1.00 0.00 N ATOM 693 CA SER A 42 -4.388 -2.340 -10.843 1.00 0.00 C ATOM 694 C SER A 42 -3.713 -1.281 -11.717 1.00 0.00 C ATOM 695 O SER A 42 -3.334 -1.544 -12.861 1.00 0.00 O ATOM 696 CB SER A 42 -5.564 -2.987 -11.584 1.00 0.00 C ATOM 697 OG SER A 42 -5.134 -3.678 -12.745 1.00 0.00 O ATOM 0 H SER A 42 -5.839 -1.480 -9.602 1.00 0.00 H new ATOM 0 HA SER A 42 -3.655 -3.114 -10.615 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.078 -3.680 -10.917 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.285 -2.219 -11.863 1.00 0.00 H new ATOM 0 HG SER A 42 -4.373 -3.206 -13.144 1.00 0.00 H new ATOM 703 N ARG A 43 -3.579 -0.083 -11.169 1.00 0.00 N ATOM 704 CA ARG A 43 -2.933 1.023 -11.860 1.00 0.00 C ATOM 705 C ARG A 43 -1.807 1.600 -11.003 1.00 0.00 C ATOM 706 O ARG A 43 -0.797 2.076 -11.520 1.00 0.00 O ATOM 707 CB ARG A 43 -3.972 2.104 -12.187 1.00 0.00 C ATOM 708 CG ARG A 43 -3.397 3.366 -12.818 1.00 0.00 C ATOM 709 CD ARG A 43 -2.603 3.061 -14.078 1.00 0.00 C ATOM 710 NE ARG A 43 -3.375 2.291 -15.050 1.00 0.00 N ATOM 711 CZ ARG A 43 -3.158 2.322 -16.362 1.00 0.00 C ATOM 712 NH1 ARG A 43 -2.228 3.123 -16.867 1.00 0.00 N ATOM 713 NH2 ARG A 43 -3.877 1.549 -17.166 1.00 0.00 N ATOM 0 H ARG A 43 -3.914 0.150 -10.234 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.498 0.659 -12.791 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.716 1.682 -12.863 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.494 2.377 -11.270 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.208 4.053 -13.058 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.754 3.871 -12.097 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.278 3.996 -14.535 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.703 2.507 -13.812 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.125 1.694 -14.702 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.677 3.718 -16.248 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.065 3.144 -17.874 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.592 0.935 -16.777 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.714 1.569 -18.173 1.00 0.00 H new ATOM 727 N LEU A 44 -1.992 1.541 -9.692 1.00 0.00 N ATOM 728 CA LEU A 44 -1.039 2.101 -8.746 1.00 0.00 C ATOM 729 C LEU A 44 0.177 1.197 -8.571 1.00 0.00 C ATOM 730 O LEU A 44 0.073 0.094 -8.041 1.00 0.00 O ATOM 731 CB LEU A 44 -1.717 2.318 -7.390 1.00 0.00 C ATOM 732 CG LEU A 44 -0.820 2.905 -6.299 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.414 4.329 -6.647 1.00 0.00 C ATOM 734 CD2 LEU A 44 -1.522 2.858 -4.951 1.00 0.00 C ATOM 0 H LEU A 44 -2.804 1.105 -9.256 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.696 3.055 -9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.571 2.980 -7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.109 1.363 -7.041 1.00 0.00 H new ATOM 0 HG LEU A 44 0.085 2.301 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.224 4.729 -5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.131 4.332 -7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.306 4.949 -6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.870 3.279 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.444 3.437 -5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.756 1.824 -4.699 1.00 0.00 H new ATOM 746 N TYR A 45 1.320 1.667 -9.039 1.00 0.00 N ATOM 747 CA TYR A 45 2.590 1.007 -8.776 1.00 0.00 C ATOM 748 C TYR A 45 3.484 1.941 -7.978 1.00 0.00 C ATOM 749 O TYR A 45 3.991 2.932 -8.503 1.00 0.00 O ATOM 750 CB TYR A 45 3.279 0.590 -10.079 1.00 0.00 C ATOM 751 CG TYR A 45 2.714 -0.673 -10.689 1.00 0.00 C ATOM 752 CD1 TYR A 45 1.486 -0.671 -11.340 1.00 0.00 C ATOM 753 CD2 TYR A 45 3.411 -1.872 -10.607 1.00 0.00 C ATOM 754 CE1 TYR A 45 0.970 -1.828 -11.892 1.00 0.00 C ATOM 755 CE2 TYR A 45 2.903 -3.032 -11.157 1.00 0.00 C ATOM 756 CZ TYR A 45 1.682 -3.008 -11.797 1.00 0.00 C ATOM 757 OH TYR A 45 1.174 -4.165 -12.347 1.00 0.00 O ATOM 0 H TYR A 45 1.396 2.510 -9.608 1.00 0.00 H new ATOM 0 HA TYR A 45 2.402 0.101 -8.200 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.192 1.402 -10.801 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.342 0.446 -9.887 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.926 0.249 -11.416 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.367 -1.897 -10.104 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.015 -1.810 -12.395 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.460 -3.955 -11.086 1.00 0.00 H new ATOM 0 HH TYR A 45 0.619 -3.942 -13.123 1.00 0.00 H new ATOM 767 N VAL A 46 3.665 1.631 -6.702 1.00 0.00 N ATOM 768 CA VAL A 46 4.400 2.511 -5.808 1.00 0.00 C ATOM 769 C VAL A 46 5.872 2.129 -5.754 1.00 0.00 C ATOM 770 O VAL A 46 6.221 1.004 -5.415 1.00 0.00 O ATOM 771 CB VAL A 46 3.801 2.512 -4.380 1.00 0.00 C ATOM 772 CG1 VAL A 46 2.451 3.211 -4.376 1.00 0.00 C ATOM 773 CG2 VAL A 46 3.664 1.096 -3.834 1.00 0.00 C ATOM 0 H VAL A 46 3.314 0.779 -6.265 1.00 0.00 H new ATOM 0 HA VAL A 46 4.312 3.520 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 46 4.486 3.057 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.041 3.205 -3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.574 4.241 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.769 2.689 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.241 1.132 -2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.008 0.517 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.646 0.624 -3.797 1.00 0.00 H new ATOM 783 N GLY A 47 6.730 3.071 -6.109 1.00 0.00 N ATOM 784 CA GLY A 47 8.154 2.812 -6.092 1.00 0.00 C ATOM 785 C GLY A 47 8.847 3.509 -4.943 1.00 0.00 C ATOM 786 O GLY A 47 10.044 3.792 -5.004 1.00 0.00 O ATOM 0 H GLY A 47 6.467 4.010 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.325 1.738 -6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.593 3.142 -7.033 1.00 0.00 H new ATOM 790 N VAL A 48 8.088 3.792 -3.897 1.00 0.00 N ATOM 791 CA VAL A 48 8.626 4.446 -2.718 1.00 0.00 C ATOM 792 C VAL A 48 8.606 3.485 -1.539 1.00 0.00 C ATOM 793 O VAL A 48 7.544 3.193 -0.988 1.00 0.00 O ATOM 794 CB VAL A 48 7.830 5.719 -2.350 1.00 0.00 C ATOM 795 CG1 VAL A 48 8.456 6.423 -1.153 1.00 0.00 C ATOM 796 CG2 VAL A 48 7.743 6.667 -3.536 1.00 0.00 C ATOM 0 H VAL A 48 7.092 3.577 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 48 9.650 4.741 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 48 6.819 5.414 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.878 7.316 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.458 5.750 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.481 6.707 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.178 7.555 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.747 6.959 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.241 6.168 -4.365 1.00 0.00 H new ATOM 806 N PRO A 49 9.769 2.940 -1.167 1.00 0.00 N ATOM 807 CA PRO A 49 9.891 2.075 -0.002 1.00 0.00 C ATOM 808 C PRO A 49 9.808 2.875 1.295 1.00 0.00 C ATOM 809 O PRO A 49 10.794 3.464 1.741 1.00 0.00 O ATOM 810 CB PRO A 49 11.277 1.429 -0.157 1.00 0.00 C ATOM 811 CG PRO A 49 11.752 1.813 -1.522 1.00 0.00 C ATOM 812 CD PRO A 49 11.052 3.096 -1.857 1.00 0.00 C ATOM 0 HA PRO A 49 9.087 1.341 0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.963 1.786 0.611 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.218 0.346 -0.053 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.834 1.944 -1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.515 1.037 -2.250 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.603 3.966 -1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.923 3.220 -2.932 1.00 0.00 H new ATOM 820 N THR A 50 8.616 2.929 1.865 1.00 0.00 N ATOM 821 CA THR A 50 8.386 3.646 3.107 1.00 0.00 C ATOM 822 C THR A 50 8.104 2.682 4.258 1.00 0.00 C ATOM 823 O THR A 50 7.651 1.555 4.042 1.00 0.00 O ATOM 824 CB THR A 50 7.217 4.628 2.954 1.00 0.00 C ATOM 825 OG1 THR A 50 6.441 4.283 1.796 1.00 0.00 O ATOM 826 CG2 THR A 50 7.723 6.059 2.832 1.00 0.00 C ATOM 0 H THR A 50 7.784 2.479 1.482 1.00 0.00 H new ATOM 0 HA THR A 50 9.293 4.204 3.339 1.00 0.00 H new ATOM 0 HB THR A 50 6.591 4.561 3.844 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.695 4.912 1.703 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.876 6.737 2.725 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.288 6.323 3.726 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.368 6.143 1.958 1.00 0.00 H new ATOM 834 N LYS A 51 8.350 3.131 5.482 1.00 0.00 N ATOM 835 CA LYS A 51 8.270 2.258 6.643 1.00 0.00 C ATOM 836 C LYS A 51 6.973 2.458 7.427 1.00 0.00 C ATOM 837 O LYS A 51 6.961 3.127 8.462 1.00 0.00 O ATOM 838 CB LYS A 51 9.487 2.470 7.553 1.00 0.00 C ATOM 839 CG LYS A 51 10.794 1.978 6.943 1.00 0.00 C ATOM 840 CD LYS A 51 11.988 2.286 7.835 1.00 0.00 C ATOM 841 CE LYS A 51 12.302 3.775 7.864 1.00 0.00 C ATOM 842 NZ LYS A 51 12.803 4.267 6.553 1.00 0.00 N ATOM 0 H LYS A 51 8.607 4.095 5.695 1.00 0.00 H new ATOM 0 HA LYS A 51 8.270 1.231 6.279 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.579 3.532 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.319 1.953 8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.734 0.903 6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.939 2.445 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.785 1.937 8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.860 1.737 7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.405 4.329 8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.048 3.973 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.224 5.210 6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.523 3.611 6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.013 4.324 5.879 1.00 0.00 H new ATOM 856 N SER A 52 5.885 1.879 6.905 1.00 0.00 N ATOM 857 CA SER A 52 4.578 1.866 7.577 1.00 0.00 C ATOM 858 C SER A 52 3.941 3.254 7.651 1.00 0.00 C ATOM 859 O SER A 52 4.616 4.275 7.500 1.00 0.00 O ATOM 860 CB SER A 52 4.707 1.286 8.987 1.00 0.00 C ATOM 861 OG SER A 52 3.440 1.053 9.576 1.00 0.00 O ATOM 0 H SER A 52 5.885 1.405 6.002 1.00 0.00 H new ATOM 0 HA SER A 52 3.924 1.235 6.975 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.267 0.352 8.946 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.278 1.973 9.612 1.00 0.00 H new ATOM 0 HG SER A 52 3.560 0.681 10.475 1.00 0.00 H new ATOM 867 N GLY A 53 2.621 3.266 7.849 1.00 0.00 N ATOM 868 CA GLY A 53 1.894 4.498 8.087 1.00 0.00 C ATOM 869 C GLY A 53 2.062 5.494 6.968 1.00 0.00 C ATOM 870 O GLY A 53 2.035 6.705 7.191 1.00 0.00 O ATOM 0 H GLY A 53 2.039 2.428 7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.835 4.273 8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.237 4.944 9.020 1.00 0.00 H new ATOM 874 N ASN A 54 2.239 4.994 5.759 1.00 0.00 N ATOM 875 CA ASN A 54 2.484 5.877 4.627 1.00 0.00 C ATOM 876 C ASN A 54 1.291 5.910 3.686 1.00 0.00 C ATOM 877 O ASN A 54 0.868 4.886 3.151 1.00 0.00 O ATOM 878 CB ASN A 54 3.774 5.495 3.885 1.00 0.00 C ATOM 879 CG ASN A 54 3.817 4.046 3.445 1.00 0.00 C ATOM 880 OD1 ASN A 54 3.383 3.704 2.348 1.00 0.00 O ATOM 881 ND2 ASN A 54 4.366 3.189 4.291 1.00 0.00 N ATOM 0 H ASN A 54 2.219 3.999 5.534 1.00 0.00 H new ATOM 0 HA ASN A 54 2.621 6.884 5.020 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.882 6.135 3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.628 5.694 4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.441 2.203 4.041 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.714 3.515 5.193 1.00 0.00 H new ATOM 888 N VAL A 55 0.734 7.101 3.521 1.00 0.00 N ATOM 889 CA VAL A 55 -0.421 7.303 2.663 1.00 0.00 C ATOM 890 C VAL A 55 0.016 7.416 1.209 1.00 0.00 C ATOM 891 O VAL A 55 0.647 8.400 0.820 1.00 0.00 O ATOM 892 CB VAL A 55 -1.196 8.584 3.046 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.505 8.666 2.278 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.448 8.648 4.545 1.00 0.00 C ATOM 0 H VAL A 55 1.069 7.950 3.976 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.076 6.441 2.795 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.581 9.442 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.037 9.575 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.298 8.685 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.120 7.797 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.995 9.560 4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.035 7.782 4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.495 8.647 5.074 1.00 0.00 H new ATOM 904 N VAL A 56 -0.300 6.412 0.411 1.00 0.00 N ATOM 905 CA VAL A 56 0.043 6.439 -1.004 1.00 0.00 C ATOM 906 C VAL A 56 -1.024 7.166 -1.811 1.00 0.00 C ATOM 907 O VAL A 56 -0.710 7.934 -2.718 1.00 0.00 O ATOM 908 CB VAL A 56 0.268 5.027 -1.578 1.00 0.00 C ATOM 909 CG1 VAL A 56 1.621 4.498 -1.134 1.00 0.00 C ATOM 910 CG2 VAL A 56 -0.842 4.076 -1.153 1.00 0.00 C ATOM 0 H VAL A 56 -0.791 5.571 0.714 1.00 0.00 H new ATOM 0 HA VAL A 56 0.984 6.984 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 56 0.250 5.092 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.773 3.499 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.407 5.162 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.655 4.453 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.655 3.088 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.867 4.009 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.800 4.450 -1.515 1.00 0.00 H new ATOM 920 N CYS A 57 -2.280 6.935 -1.472 1.00 0.00 N ATOM 921 CA CYS A 57 -3.381 7.623 -2.121 1.00 0.00 C ATOM 922 C CYS A 57 -4.327 8.204 -1.085 1.00 0.00 C ATOM 923 O CYS A 57 -5.125 7.478 -0.489 1.00 0.00 O ATOM 924 CB CYS A 57 -4.128 6.676 -3.061 1.00 0.00 C ATOM 925 SG CYS A 57 -3.111 6.022 -4.403 1.00 0.00 S ATOM 0 H CYS A 57 -2.563 6.274 -0.749 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.974 8.442 -2.714 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.526 5.843 -2.481 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.981 7.203 -3.489 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.827 5.230 -5.144 1.00 0.00 H new ATOM 931 N LYS A 58 -4.214 9.498 -0.839 1.00 0.00 N ATOM 932 CA LYS A 58 -5.097 10.160 0.102 1.00 0.00 C ATOM 933 C LYS A 58 -6.374 10.568 -0.614 1.00 0.00 C ATOM 934 O LYS A 58 -6.330 11.341 -1.571 1.00 0.00 O ATOM 935 CB LYS A 58 -4.419 11.380 0.722 1.00 0.00 C ATOM 936 CG LYS A 58 -5.052 11.794 2.034 1.00 0.00 C ATOM 937 CD LYS A 58 -4.404 13.033 2.618 1.00 0.00 C ATOM 938 CE LYS A 58 -4.879 13.273 4.042 1.00 0.00 C ATOM 939 NZ LYS A 58 -6.361 13.178 4.166 1.00 0.00 N ATOM 0 H LYS A 58 -3.523 10.107 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.337 9.469 0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.364 11.161 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.467 12.213 0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.115 11.981 1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.973 10.974 2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.320 12.921 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.642 13.899 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.413 12.545 4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.551 14.259 4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.691 13.840 4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.802 13.419 3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.626 12.208 4.432 1.00 0.00 H new ATOM 953 N ASN A 59 -7.502 10.044 -0.139 1.00 0.00 N ATOM 954 CA ASN A 59 -8.779 10.181 -0.831 1.00 0.00 C ATOM 955 C ASN A 59 -8.692 9.500 -2.191 1.00 0.00 C ATOM 956 O ASN A 59 -8.528 10.145 -3.229 1.00 0.00 O ATOM 957 CB ASN A 59 -9.211 11.651 -0.963 1.00 0.00 C ATOM 958 CG ASN A 59 -10.539 11.818 -1.691 1.00 0.00 C ATOM 959 OD1 ASN A 59 -11.609 11.693 -1.095 1.00 0.00 O ATOM 960 ND2 ASN A 59 -10.482 12.116 -2.979 1.00 0.00 N ATOM 0 H ASN A 59 -7.555 9.515 0.732 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.549 9.691 -0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.290 12.091 0.031 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.438 12.205 -1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.342 12.250 -3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.578 12.212 -3.441 1.00 0.00 H new ATOM 967 N ILE A 60 -8.743 8.179 -2.164 1.00 0.00 N ATOM 968 CA ILE A 60 -8.682 7.387 -3.378 1.00 0.00 C ATOM 969 C ILE A 60 -9.995 7.506 -4.143 1.00 0.00 C ATOM 970 O ILE A 60 -11.073 7.312 -3.571 1.00 0.00 O ATOM 971 CB ILE A 60 -8.361 5.906 -3.068 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.442 5.052 -4.338 1.00 0.00 C ATOM 973 CG2 ILE A 60 -9.293 5.367 -1.993 1.00 0.00 C ATOM 974 CD1 ILE A 60 -8.072 3.600 -4.121 1.00 0.00 C ATOM 0 H ILE A 60 -8.827 7.631 -1.308 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.874 7.774 -3.999 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.340 5.852 -2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.456 5.104 -4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.781 5.477 -5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.050 4.324 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.173 5.951 -1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.325 5.439 -2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.153 3.059 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.048 3.537 -3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.748 3.158 -3.390 1.00 0.00 H new ATOM 986 N MET A 61 -9.887 7.850 -5.427 1.00 0.00 N ATOM 987 CA MET A 61 -11.045 8.101 -6.284 1.00 0.00 C ATOM 988 C MET A 61 -11.792 9.343 -5.815 1.00 0.00 C ATOM 989 O MET A 61 -11.605 10.428 -6.368 1.00 0.00 O ATOM 990 CB MET A 61 -11.978 6.884 -6.329 1.00 0.00 C ATOM 991 CG MET A 61 -11.361 5.672 -7.007 1.00 0.00 C ATOM 992 SD MET A 61 -11.035 5.950 -8.758 1.00 0.00 S ATOM 993 CE MET A 61 -12.698 6.247 -9.346 1.00 0.00 C ATOM 0 H MET A 61 -8.992 7.963 -5.902 1.00 0.00 H new ATOM 0 HA MET A 61 -10.685 8.276 -7.298 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.262 6.616 -5.311 1.00 0.00 H new ATOM 0 HB3 MET A 61 -12.893 7.157 -6.854 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.429 5.414 -6.504 1.00 0.00 H new ATOM 0 HG3 MET A 61 -12.030 4.818 -6.897 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.818 5.807 -10.336 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.413 5.795 -8.659 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.878 7.321 -9.402 1.00 0.00 H new ATOM 1003 N ASN A 62 -12.612 9.176 -4.783 1.00 0.00 N ATOM 1004 CA ASN A 62 -13.350 10.274 -4.165 1.00 0.00 C ATOM 1005 C ASN A 62 -14.331 9.725 -3.141 1.00 0.00 C ATOM 1006 O ASN A 62 -15.506 9.527 -3.436 1.00 0.00 O ATOM 1007 CB ASN A 62 -14.120 11.107 -5.199 1.00 0.00 C ATOM 1008 CG ASN A 62 -14.771 12.325 -4.576 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -14.242 12.913 -3.628 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -15.927 12.701 -5.087 1.00 0.00 N ATOM 0 H ASN A 62 -12.785 8.270 -4.348 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.620 10.924 -3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.439 11.424 -5.989 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.884 10.487 -5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.419 13.506 -4.698 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.329 12.187 -5.871 1.00 0.00 H new ATOM 1017 N THR A 63 -13.834 9.421 -1.955 1.00 0.00 N ATOM 1018 CA THR A 63 -14.694 8.928 -0.891 1.00 0.00 C ATOM 1019 C THR A 63 -14.057 9.143 0.487 1.00 0.00 C ATOM 1020 O THR A 63 -14.496 8.568 1.482 1.00 0.00 O ATOM 1021 CB THR A 63 -15.032 7.431 -1.107 1.00 0.00 C ATOM 1022 OG1 THR A 63 -16.007 6.982 -0.156 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.787 6.568 -1.003 1.00 0.00 C ATOM 0 H THR A 63 -12.849 9.505 -1.705 1.00 0.00 H new ATOM 0 HA THR A 63 -15.621 9.500 -0.924 1.00 0.00 H new ATOM 0 HB THR A 63 -15.445 7.334 -2.111 1.00 0.00 H new ATOM 0 HG1 THR A 63 -15.823 7.387 0.717 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.055 5.523 -1.159 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.067 6.875 -1.762 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.344 6.686 -0.014 1.00 0.00 H new ATOM 1031 N GLY A 64 -13.028 9.986 0.546 1.00 0.00 N ATOM 1032 CA GLY A 64 -12.397 10.306 1.814 1.00 0.00 C ATOM 1033 C GLY A 64 -11.360 9.289 2.263 1.00 0.00 C ATOM 1034 O GLY A 64 -10.480 9.618 3.051 1.00 0.00 O ATOM 0 H GLY A 64 -12.620 10.453 -0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.922 11.284 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.167 10.387 2.581 1.00 0.00 H new ATOM 1038 N VAL A 65 -11.451 8.065 1.761 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.575 6.988 2.210 1.00 0.00 C ATOM 1040 C VAL A 65 -9.122 7.233 1.811 1.00 0.00 C ATOM 1041 O VAL A 65 -8.802 7.393 0.633 1.00 0.00 O ATOM 1042 CB VAL A 65 -11.033 5.618 1.660 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -10.002 4.542 1.958 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -12.375 5.230 2.254 1.00 0.00 C ATOM 0 H VAL A 65 -12.122 7.792 1.043 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.640 6.974 3.298 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.137 5.707 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.347 3.587 1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.054 4.808 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.865 4.458 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.683 4.263 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.288 5.165 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.119 5.983 1.994 1.00 0.00 H new ATOM 1054 N ASP A 66 -8.261 7.282 2.817 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.827 7.416 2.612 1.00 0.00 C ATOM 1056 C ASP A 66 -6.193 6.031 2.639 1.00 0.00 C ATOM 1057 O ASP A 66 -6.327 5.303 3.629 1.00 0.00 O ATOM 1058 CB ASP A 66 -6.187 8.278 3.713 1.00 0.00 C ATOM 1059 CG ASP A 66 -7.118 9.330 4.290 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -8.092 8.948 4.976 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -6.866 10.538 4.085 1.00 0.00 O ATOM 0 H ASP A 66 -8.537 7.230 3.798 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.658 7.901 1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.846 7.627 4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.304 8.772 3.307 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.517 5.665 1.563 1.00 0.00 N ATOM 1067 CA ILE A 67 -4.887 4.354 1.468 1.00 0.00 C ATOM 1068 C ILE A 67 -3.467 4.406 2.012 1.00 0.00 C ATOM 1069 O ILE A 67 -2.640 5.193 1.545 1.00 0.00 O ATOM 1070 CB ILE A 67 -4.852 3.843 0.008 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.267 3.796 -0.577 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.199 2.467 -0.066 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.201 2.850 0.149 1.00 0.00 C ATOM 0 H ILE A 67 -5.389 6.256 0.741 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.486 3.664 2.063 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.255 4.537 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.692 4.799 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.207 3.499 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.185 2.126 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.178 2.528 0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.767 1.762 0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.183 2.873 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.800 1.837 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.293 3.158 1.191 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.189 3.569 3.000 1.00 0.00 N ATOM 1086 CA ILE A 68 -1.876 3.534 3.627 1.00 0.00 C ATOM 1087 C ILE A 68 -1.245 2.156 3.514 1.00 0.00 C ATOM 1088 O ILE A 68 -1.925 1.138 3.647 1.00 0.00 O ATOM 1089 CB ILE A 68 -1.937 3.923 5.121 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -2.977 3.075 5.860 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.238 5.403 5.280 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.079 3.395 7.334 1.00 0.00 C ATOM 0 H ILE A 68 -3.858 2.903 3.386 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.267 4.264 3.093 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.961 3.726 5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.952 3.224 5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.725 2.021 5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.276 5.655 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.455 5.987 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.199 5.631 4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.834 2.757 7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.115 3.219 7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.361 4.440 7.461 1.00 0.00 H new ATOM 1104 N CYS A 69 0.051 2.123 3.256 1.00 0.00 N ATOM 1105 CA CYS A 69 0.793 0.878 3.293 1.00 0.00 C ATOM 1106 C CYS A 69 1.331 0.682 4.700 1.00 0.00 C ATOM 1107 O CYS A 69 2.052 1.534 5.225 1.00 0.00 O ATOM 1108 CB CYS A 69 1.941 0.895 2.289 1.00 0.00 C ATOM 1109 SG CYS A 69 1.571 1.791 0.768 1.00 0.00 S ATOM 0 H CYS A 69 0.609 2.943 3.019 1.00 0.00 H new ATOM 0 HA CYS A 69 0.132 0.055 3.024 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.815 1.344 2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.206 -0.132 2.038 1.00 0.00 H new ATOM 0 HG CYS A 69 0.303 2.077 0.730 1.00 0.00 H new ATOM 1115 N THR A 70 0.976 -0.423 5.318 1.00 0.00 N ATOM 1116 CA THR A 70 1.296 -0.631 6.718 1.00 0.00 C ATOM 1117 C THR A 70 2.504 -1.553 6.876 1.00 0.00 C ATOM 1118 O THR A 70 2.855 -1.959 7.984 1.00 0.00 O ATOM 1119 CB THR A 70 0.070 -1.213 7.465 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.298 -1.252 8.879 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.259 -2.613 6.956 1.00 0.00 C ATOM 0 H THR A 70 0.468 -1.190 4.878 1.00 0.00 H new ATOM 0 HA THR A 70 1.551 0.334 7.156 1.00 0.00 H new ATOM 0 HB THR A 70 -0.778 -0.557 7.268 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.193 -1.610 9.056 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.123 -3.002 7.495 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.485 -2.569 5.891 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.596 -3.270 7.119 1.00 0.00 H new ATOM 1129 N LYS A 71 3.154 -1.869 5.770 1.00 0.00 N ATOM 1130 CA LYS A 71 4.349 -2.687 5.814 1.00 0.00 C ATOM 1131 C LYS A 71 5.566 -1.786 5.809 1.00 0.00 C ATOM 1132 O LYS A 71 5.555 -0.721 5.189 1.00 0.00 O ATOM 1133 CB LYS A 71 4.391 -3.645 4.627 1.00 0.00 C ATOM 1134 CG LYS A 71 5.521 -4.661 4.704 1.00 0.00 C ATOM 1135 CD LYS A 71 5.553 -5.563 3.479 1.00 0.00 C ATOM 1136 CE LYS A 71 6.490 -6.742 3.679 1.00 0.00 C ATOM 1137 NZ LYS A 71 6.072 -7.588 4.829 1.00 0.00 N ATOM 0 H LYS A 71 2.875 -1.572 4.835 1.00 0.00 H new ATOM 0 HA LYS A 71 4.342 -3.284 6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.441 -4.175 4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.495 -3.068 3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.474 -4.139 4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.403 -5.269 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.548 -5.928 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.872 -4.987 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.513 -7.346 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.504 -6.377 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.458 -8.547 4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.432 -7.175 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.034 -7.635 4.866 1.00 0.00 H new ATOM 1151 N ASN A 72 6.604 -2.190 6.513 1.00 0.00 N ATOM 1152 CA ASN A 72 7.792 -1.366 6.619 1.00 0.00 C ATOM 1153 C ASN A 72 8.784 -1.748 5.538 1.00 0.00 C ATOM 1154 O ASN A 72 9.435 -2.790 5.617 1.00 0.00 O ATOM 1155 CB ASN A 72 8.435 -1.479 8.009 1.00 0.00 C ATOM 1156 CG ASN A 72 7.541 -0.951 9.126 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.247 -1.238 9.049 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 8.015 -0.314 10.066 1.00 0.00 N flip ATOM 0 H ASN A 72 6.650 -3.076 7.016 1.00 0.00 H new ATOM 0 HA ASN A 72 7.497 -0.326 6.481 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.676 -2.523 8.208 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.376 -0.928 8.014 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.014 -0.112 10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.409 0.012 10.819 1.00 0.00 H new ATOM 1165 N LEU A 73 8.863 -0.920 4.509 1.00 0.00 N ATOM 1166 CA LEU A 73 9.749 -1.179 3.387 1.00 0.00 C ATOM 1167 C LEU A 73 11.060 -0.428 3.562 1.00 0.00 C ATOM 1168 O LEU A 73 11.090 0.802 3.514 1.00 0.00 O ATOM 1169 CB LEU A 73 9.086 -0.754 2.076 1.00 0.00 C ATOM 1170 CG LEU A 73 7.763 -1.447 1.750 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.120 -0.798 0.537 1.00 0.00 C ATOM 1172 CD2 LEU A 73 7.980 -2.935 1.508 1.00 0.00 C ATOM 0 H LEU A 73 8.322 -0.059 4.428 1.00 0.00 H new ATOM 0 HA LEU A 73 9.953 -2.249 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.914 0.322 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.784 -0.940 1.260 1.00 0.00 H new ATOM 0 HG LEU A 73 7.093 -1.337 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.178 -1.299 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.931 0.255 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.789 -0.884 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.026 -3.409 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.664 -3.071 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.405 -3.391 2.402 1.00 0.00 H new ATOM 1184 N PRO A 74 12.159 -1.158 3.790 1.00 0.00 N ATOM 1185 CA PRO A 74 13.488 -0.567 3.901 1.00 0.00 C ATOM 1186 C PRO A 74 14.030 -0.160 2.536 1.00 0.00 C ATOM 1187 O PRO A 74 14.242 -1.008 1.663 1.00 0.00 O ATOM 1188 CB PRO A 74 14.346 -1.692 4.510 1.00 0.00 C ATOM 1189 CG PRO A 74 13.390 -2.789 4.863 1.00 0.00 C ATOM 1190 CD PRO A 74 12.201 -2.609 3.968 1.00 0.00 C ATOM 0 HA PRO A 74 13.486 0.341 4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.096 -2.040 3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.882 -1.341 5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.847 -3.767 4.712 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.100 -2.731 5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 74 12.324 -3.131 3.019 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.287 -2.989 4.425 1.00 0.00 H new