USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 460 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 14 ASN : amide:sc= 0 X(o=0.29,f=0.23) USER MOD Set 1.2: A 15 SER OG : rot 50:sc= 0.292 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 1.15 K(o=1.1,f=-0.18) USER MOD Single : A 4 SER OG : rot 180:sc= 0.48 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 158:sc= -0.607 (180deg=-1.12) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0573 K(o=-0.057,f=-1.9!) USER MOD Single : A 26 ASN : amide:sc= 0.698 K(o=0.7,f=-0.0057) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.122 USER MOD Single : A 39 TYR OH : rot 130:sc= -0.927 USER MOD Single : A 42 GLN : amide:sc= -0.6 K(o=-0.6,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.286 K(o=-0.29,f=-0.85) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 1.27 (180deg=0.424) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0451) USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.24) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -2.955 -7.770 15.486 1.00 0.00 N ATOM 2 CA ARG A 1 -3.665 -8.662 14.531 1.00 0.00 C ATOM 3 C ARG A 1 -4.294 -7.862 13.388 1.00 0.00 C ATOM 4 O ARG A 1 -4.992 -6.877 13.620 1.00 0.00 O ATOM 5 CB ARG A 1 -4.755 -9.454 15.259 1.00 0.00 C ATOM 6 CG ARG A 1 -5.450 -10.470 14.372 1.00 0.00 C ATOM 7 CD ARG A 1 -6.586 -11.178 15.092 1.00 0.00 C ATOM 8 NE ARG A 1 -7.815 -10.392 15.098 1.00 0.00 N ATOM 9 CZ ARG A 1 -8.710 -10.428 14.146 1.00 0.00 C ATOM 10 NH1 ARG A 1 -8.486 -11.100 13.058 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.817 -9.769 14.273 1.00 0.00 N ATOM 0 H1 ARG A 1 -2.539 -8.340 16.250 1.00 0.00 H new ATOM 0 H2 ARG A 1 -2.201 -7.257 14.987 1.00 0.00 H new ATOM 0 H3 ARG A 1 -3.628 -7.088 15.890 1.00 0.00 H new ATOM 0 HA ARG A 1 -2.932 -9.350 14.110 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -4.313 -9.969 16.112 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -5.496 -8.760 15.655 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -5.840 -9.970 13.486 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.724 -11.207 14.029 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -6.774 -12.138 14.612 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -6.287 -11.388 16.119 1.00 0.00 H new ATOM 0 HE ARG A 1 -7.986 -9.777 15.893 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -7.607 -11.604 12.942 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.189 -11.124 12.319 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.991 -9.222 15.116 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -10.515 -9.797 13.530 1.00 0.00 H new ATOM 27 N ASN A 2 -4.049 -8.291 12.154 1.00 0.00 N ATOM 28 CA ASN A 2 -4.602 -7.602 10.990 1.00 0.00 C ATOM 29 C ASN A 2 -5.766 -8.386 10.368 1.00 0.00 C ATOM 30 O ASN A 2 -5.735 -9.614 10.277 1.00 0.00 O ATOM 31 CB ASN A 2 -3.508 -7.344 9.946 1.00 0.00 C ATOM 32 CG ASN A 2 -2.932 -8.616 9.353 1.00 0.00 C ATOM 33 OD1 ASN A 2 -2.105 -9.280 9.962 1.00 0.00 O ATOM 34 ND2 ASN A 2 -3.354 -8.954 8.151 1.00 0.00 N ATOM 0 H ASN A 2 -3.476 -9.106 11.933 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.994 -6.644 11.330 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.919 -6.731 9.144 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.704 -6.770 10.407 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.990 -9.793 7.700 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.045 -8.377 7.672 1.00 0.00 H new ATOM 41 N LEU A 3 -6.802 -7.666 9.956 1.00 0.00 N ATOM 42 CA LEU A 3 -7.974 -8.286 9.335 1.00 0.00 C ATOM 43 C LEU A 3 -7.717 -8.576 7.852 1.00 0.00 C ATOM 44 O LEU A 3 -8.105 -7.790 6.986 1.00 0.00 O ATOM 45 CB LEU A 3 -9.199 -7.375 9.479 1.00 0.00 C ATOM 46 CG LEU A 3 -9.960 -7.486 10.803 1.00 0.00 C ATOM 47 CD1 LEU A 3 -9.127 -6.959 11.961 1.00 0.00 C ATOM 48 CD2 LEU A 3 -11.278 -6.736 10.712 1.00 0.00 C ATOM 0 H LEU A 3 -6.858 -6.651 10.039 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.167 -9.229 9.847 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.877 -6.341 9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.890 -7.595 8.665 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.165 -8.540 10.991 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.693 -7.051 12.888 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.206 -7.537 12.040 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.884 -5.911 11.787 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.811 -6.821 11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.084 -5.685 10.498 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.885 -7.163 9.914 1.00 0.00 H new ATOM 60 N SER A 4 -7.068 -9.709 7.577 1.00 0.00 N ATOM 61 CA SER A 4 -6.718 -10.123 6.206 1.00 0.00 C ATOM 62 C SER A 4 -5.645 -9.215 5.603 1.00 0.00 C ATOM 63 O SER A 4 -5.832 -8.007 5.468 1.00 0.00 O ATOM 64 CB SER A 4 -7.940 -10.156 5.280 1.00 0.00 C ATOM 65 OG SER A 4 -7.541 -10.220 3.914 1.00 0.00 O ATOM 0 H SER A 4 -6.768 -10.369 8.294 1.00 0.00 H new ATOM 0 HA SER A 4 -6.323 -11.136 6.287 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.562 -11.018 5.522 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.550 -9.267 5.444 1.00 0.00 H new ATOM 0 HG SER A 4 -8.336 -10.242 3.342 1.00 0.00 H new ATOM 71 N ASP A 5 -4.517 -9.808 5.243 1.00 0.00 N ATOM 72 CA ASP A 5 -3.409 -9.060 4.651 1.00 0.00 C ATOM 73 C ASP A 5 -3.845 -8.337 3.368 1.00 0.00 C ATOM 74 O ASP A 5 -3.520 -7.168 3.158 1.00 0.00 O ATOM 75 CB ASP A 5 -2.246 -10.005 4.356 1.00 0.00 C ATOM 76 CG ASP A 5 -1.609 -10.562 5.612 1.00 0.00 C ATOM 77 OD1 ASP A 5 -2.347 -10.978 6.530 1.00 0.00 O ATOM 78 OD2 ASP A 5 -0.367 -10.599 5.682 1.00 0.00 O ATOM 0 H ASP A 5 -4.341 -10.807 5.349 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.087 -8.303 5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.602 -10.830 3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.491 -9.475 3.776 1.00 0.00 H new ATOM 83 N ARG A 6 -4.611 -9.031 2.530 1.00 0.00 N ATOM 84 CA ARG A 6 -5.091 -8.456 1.273 1.00 0.00 C ATOM 85 C ARG A 6 -6.158 -7.382 1.518 1.00 0.00 C ATOM 86 O ARG A 6 -6.171 -6.347 0.847 1.00 0.00 O ATOM 87 CB ARG A 6 -5.634 -9.554 0.357 1.00 0.00 C ATOM 88 CG ARG A 6 -4.629 -10.666 0.103 1.00 0.00 C ATOM 89 CD ARG A 6 -4.867 -11.360 -1.225 1.00 0.00 C ATOM 90 NE ARG A 6 -6.112 -12.119 -1.241 1.00 0.00 N ATOM 91 CZ ARG A 6 -6.630 -12.635 -2.321 1.00 0.00 C ATOM 92 NH1 ARG A 6 -6.098 -12.400 -3.478 1.00 0.00 N ATOM 93 NH2 ARG A 6 -7.697 -13.364 -2.248 1.00 0.00 N ATOM 0 H ARG A 6 -4.913 -9.991 2.697 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.245 -7.975 0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.533 -9.979 0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.928 -9.113 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.620 -10.253 0.120 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.687 -11.397 0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.888 -10.616 -2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.034 -12.030 -1.436 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.605 -12.254 -0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.270 -11.809 -3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.507 -12.806 -4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.136 -13.537 -1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.099 -13.766 -3.095 1.00 0.00 H new ATOM 107 N ALA A 7 -7.055 -7.628 2.471 1.00 0.00 N ATOM 108 CA ALA A 7 -8.096 -6.653 2.802 1.00 0.00 C ATOM 109 C ALA A 7 -7.470 -5.383 3.381 1.00 0.00 C ATOM 110 O ALA A 7 -7.864 -4.274 3.035 1.00 0.00 O ATOM 111 CB ALA A 7 -9.101 -7.245 3.776 1.00 0.00 C ATOM 0 H ALA A 7 -7.084 -8.485 3.024 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.626 -6.393 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.865 -6.502 4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.570 -8.120 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.590 -7.537 4.693 1.00 0.00 H new ATOM 117 N LYS A 8 -6.484 -5.557 4.262 1.00 0.00 N ATOM 118 CA LYS A 8 -5.767 -4.427 4.859 1.00 0.00 C ATOM 119 C LYS A 8 -5.135 -3.572 3.760 1.00 0.00 C ATOM 120 O LYS A 8 -5.204 -2.342 3.781 1.00 0.00 O ATOM 121 CB LYS A 8 -4.674 -4.946 5.792 1.00 0.00 C ATOM 122 CG LYS A 8 -3.967 -3.858 6.587 1.00 0.00 C ATOM 123 CD LYS A 8 -4.912 -3.136 7.533 1.00 0.00 C ATOM 124 CE LYS A 8 -5.036 -3.861 8.861 1.00 0.00 C ATOM 125 NZ LYS A 8 -5.467 -2.943 9.948 1.00 0.00 N ATOM 0 H LYS A 8 -6.162 -6.471 4.579 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.471 -3.819 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.114 -5.661 6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.935 -5.488 5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.150 -4.300 7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.523 -3.138 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.552 -2.122 7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.896 -3.051 7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.754 -4.675 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.078 -4.310 9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.541 -3.472 10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.769 -2.180 10.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.393 -2.534 9.710 1.00 0.00 H new ATOM 139 N PHE A 9 -4.516 -4.257 2.812 1.00 0.00 N ATOM 140 CA PHE A 9 -3.872 -3.621 1.660 1.00 0.00 C ATOM 141 C PHE A 9 -4.840 -2.715 0.897 1.00 0.00 C ATOM 142 O PHE A 9 -4.626 -1.508 0.791 1.00 0.00 O ATOM 143 CB PHE A 9 -3.354 -4.701 0.719 1.00 0.00 C ATOM 144 CG PHE A 9 -2.518 -4.178 -0.414 1.00 0.00 C ATOM 145 CD1 PHE A 9 -1.193 -3.834 -0.214 1.00 0.00 C ATOM 146 CD2 PHE A 9 -3.061 -4.033 -1.681 1.00 0.00 C ATOM 147 CE1 PHE A 9 -0.425 -3.352 -1.255 1.00 0.00 C ATOM 148 CE2 PHE A 9 -2.297 -3.553 -2.726 1.00 0.00 C ATOM 149 CZ PHE A 9 -0.978 -3.212 -2.513 1.00 0.00 C ATOM 0 H PHE A 9 -4.442 -5.274 2.814 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.053 -3.005 2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.763 -5.415 1.293 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.203 -5.247 0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.755 -3.944 0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.094 -4.299 -1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.608 -3.085 -1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.732 -3.445 -3.709 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.378 -2.836 -3.329 1.00 0.00 H new ATOM 159 N GLU A 10 -5.910 -3.306 0.373 1.00 0.00 N ATOM 160 CA GLU A 10 -6.912 -2.550 -0.380 1.00 0.00 C ATOM 161 C GLU A 10 -7.635 -1.535 0.514 1.00 0.00 C ATOM 162 O GLU A 10 -8.246 -0.585 0.029 1.00 0.00 O ATOM 163 CB GLU A 10 -7.927 -3.496 -1.029 1.00 0.00 C ATOM 164 CG GLU A 10 -8.906 -4.121 -0.049 1.00 0.00 C ATOM 165 CD GLU A 10 -10.102 -4.737 -0.741 1.00 0.00 C ATOM 166 OE1 GLU A 10 -10.995 -3.982 -1.176 1.00 0.00 O ATOM 167 OE2 GLU A 10 -10.149 -5.979 -0.860 1.00 0.00 O ATOM 0 H GLU A 10 -6.107 -4.303 0.454 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.389 -2.001 -1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.487 -2.947 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.389 -4.291 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.393 -4.886 0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.248 -3.361 0.653 1.00 0.00 H new ATOM 174 N SER A 11 -7.545 -1.740 1.822 1.00 0.00 N ATOM 175 CA SER A 11 -8.192 -0.841 2.787 1.00 0.00 C ATOM 176 C SER A 11 -7.382 0.442 2.927 1.00 0.00 C ATOM 177 O SER A 11 -7.917 1.549 2.876 1.00 0.00 O ATOM 178 CB SER A 11 -8.343 -1.514 4.154 1.00 0.00 C ATOM 179 OG SER A 11 -9.278 -0.827 4.969 1.00 0.00 O ATOM 0 H SER A 11 -7.034 -2.515 2.244 1.00 0.00 H new ATOM 0 HA SER A 11 -9.188 -0.602 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.665 -2.546 4.019 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.375 -1.545 4.655 1.00 0.00 H new ATOM 0 HG SER A 11 -9.354 -1.281 5.834 1.00 0.00 H new ATOM 185 N MET A 12 -6.080 0.274 3.102 1.00 0.00 N ATOM 186 CA MET A 12 -5.159 1.398 3.224 1.00 0.00 C ATOM 187 C MET A 12 -5.028 2.126 1.895 1.00 0.00 C ATOM 188 O MET A 12 -4.924 3.350 1.839 1.00 0.00 O ATOM 189 CB MET A 12 -3.786 0.888 3.625 1.00 0.00 C ATOM 190 CG MET A 12 -3.072 1.772 4.631 1.00 0.00 C ATOM 191 SD MET A 12 -3.971 1.926 6.185 1.00 0.00 S ATOM 192 CE MET A 12 -3.847 0.254 6.813 1.00 0.00 C ATOM 0 H MET A 12 -5.632 -0.640 3.163 1.00 0.00 H new ATOM 0 HA MET A 12 -5.549 2.081 3.978 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.889 -0.113 4.044 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.168 0.798 2.732 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.081 1.363 4.829 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.928 2.763 4.200 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.991 0.260 7.893 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.613 -0.367 6.348 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.862 -0.150 6.580 1.00 0.00 H new ATOM 202 N ILE A 13 -5.027 1.345 0.825 1.00 0.00 N ATOM 203 CA ILE A 13 -4.893 1.874 -0.519 1.00 0.00 C ATOM 204 C ILE A 13 -6.164 2.623 -0.974 1.00 0.00 C ATOM 205 O ILE A 13 -6.194 3.234 -2.045 1.00 0.00 O ATOM 206 CB ILE A 13 -4.546 0.735 -1.512 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.551 1.216 -2.570 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.796 0.171 -2.177 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.952 0.085 -3.375 1.00 0.00 C ATOM 0 H ILE A 13 -5.119 0.330 0.866 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.078 2.598 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.082 -0.066 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.053 1.909 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.750 1.771 -2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.514 -0.625 -2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.465 -0.229 -1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.305 0.963 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.255 0.490 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.423 -0.596 -2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.746 -0.456 -3.890 1.00 0.00 H new ATOM 221 N ASN A 14 -7.208 2.568 -0.150 1.00 0.00 N ATOM 222 CA ASN A 14 -8.477 3.223 -0.462 1.00 0.00 C ATOM 223 C ASN A 14 -8.423 4.735 -0.199 1.00 0.00 C ATOM 224 O ASN A 14 -8.327 5.172 0.950 1.00 0.00 O ATOM 225 CB ASN A 14 -9.608 2.600 0.356 1.00 0.00 C ATOM 226 CG ASN A 14 -10.966 3.146 -0.030 1.00 0.00 C ATOM 227 OD1 ASN A 14 -11.426 4.145 0.513 1.00 0.00 O ATOM 228 ND2 ASN A 14 -11.619 2.491 -0.964 1.00 0.00 N ATOM 0 H ASN A 14 -7.200 2.074 0.743 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.666 3.074 -1.525 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.601 1.519 0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.432 2.786 1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -12.541 2.810 -1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -11.203 1.664 -1.392 1.00 0.00 H new ATOM 235 N SER A 15 -8.509 5.518 -1.275 1.00 0.00 N ATOM 236 CA SER A 15 -8.475 6.994 -1.210 1.00 0.00 C ATOM 237 C SER A 15 -7.351 7.521 -0.303 1.00 0.00 C ATOM 238 O SER A 15 -7.605 8.101 0.753 1.00 0.00 O ATOM 239 CB SER A 15 -9.832 7.560 -0.755 1.00 0.00 C ATOM 240 OG SER A 15 -10.189 7.118 0.549 1.00 0.00 O ATOM 0 H SER A 15 -8.605 5.153 -2.223 1.00 0.00 H new ATOM 0 HA SER A 15 -8.266 7.341 -2.222 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.793 8.649 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.605 7.260 -1.463 1.00 0.00 H new ATOM 0 HG SER A 15 -9.436 7.259 1.160 1.00 0.00 H new ATOM 246 N PRO A 16 -6.085 7.313 -0.695 1.00 0.00 N ATOM 247 CA PRO A 16 -4.936 7.769 0.072 1.00 0.00 C ATOM 248 C PRO A 16 -4.417 9.142 -0.379 1.00 0.00 C ATOM 249 O PRO A 16 -4.130 9.353 -1.557 1.00 0.00 O ATOM 250 CB PRO A 16 -3.903 6.682 -0.221 1.00 0.00 C ATOM 251 CG PRO A 16 -4.250 6.149 -1.582 1.00 0.00 C ATOM 252 CD PRO A 16 -5.660 6.597 -1.906 1.00 0.00 C ATOM 0 HA PRO A 16 -5.170 7.905 1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.892 7.088 -0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.941 5.893 0.530 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.549 6.522 -2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.182 5.061 -1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.683 7.244 -2.783 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.311 5.749 -2.119 1.00 0.00 H new ATOM 260 N SER A 17 -4.312 10.082 0.559 1.00 0.00 N ATOM 261 CA SER A 17 -3.809 11.427 0.245 1.00 0.00 C ATOM 262 C SER A 17 -2.303 11.387 -0.023 1.00 0.00 C ATOM 263 O SER A 17 -1.689 10.346 0.122 1.00 0.00 O ATOM 264 CB SER A 17 -4.106 12.388 1.398 1.00 0.00 C ATOM 265 OG SER A 17 -5.210 13.233 1.101 1.00 0.00 O ATOM 0 H SER A 17 -4.565 9.943 1.537 1.00 0.00 H new ATOM 0 HA SER A 17 -4.316 11.782 -0.652 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.316 11.818 2.303 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.225 12.997 1.602 1.00 0.00 H new ATOM 0 HG SER A 17 -5.375 13.834 1.858 1.00 0.00 H new ATOM 271 N LYS A 18 -1.707 12.508 -0.408 1.00 0.00 N ATOM 272 CA LYS A 18 -0.265 12.546 -0.691 1.00 0.00 C ATOM 273 C LYS A 18 0.571 12.085 0.517 1.00 0.00 C ATOM 274 O LYS A 18 1.133 10.982 0.520 1.00 0.00 O ATOM 275 CB LYS A 18 0.156 13.956 -1.108 1.00 0.00 C ATOM 276 CG LYS A 18 1.562 14.025 -1.679 1.00 0.00 C ATOM 277 CD LYS A 18 1.919 15.439 -2.096 1.00 0.00 C ATOM 278 CE LYS A 18 3.280 15.493 -2.767 1.00 0.00 C ATOM 279 NZ LYS A 18 3.623 16.866 -3.216 1.00 0.00 N ATOM 0 H LYS A 18 -2.188 13.399 -0.533 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.076 11.852 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.548 14.332 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.091 14.617 -0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.276 13.672 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.641 13.359 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.160 15.821 -2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.917 16.089 -1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.041 15.138 -2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.290 14.818 -3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.559 16.859 -3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.911 17.196 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.639 17.505 -2.396 1.00 0.00 H new ATOM 293 N SER A 19 0.637 12.925 1.547 1.00 0.00 N ATOM 294 CA SER A 19 1.394 12.599 2.760 1.00 0.00 C ATOM 295 C SER A 19 0.802 11.373 3.452 1.00 0.00 C ATOM 296 O SER A 19 1.526 10.560 4.034 1.00 0.00 O ATOM 297 CB SER A 19 1.402 13.789 3.721 1.00 0.00 C ATOM 298 OG SER A 19 1.944 14.943 3.100 1.00 0.00 O ATOM 0 H SER A 19 0.178 13.835 1.569 1.00 0.00 H new ATOM 0 HA SER A 19 2.420 12.373 2.470 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.386 13.996 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.986 13.541 4.607 1.00 0.00 H new ATOM 0 HG SER A 19 1.936 15.690 3.734 1.00 0.00 H new ATOM 304 N VAL A 20 -0.521 11.247 3.382 1.00 0.00 N ATOM 305 CA VAL A 20 -1.218 10.106 3.968 1.00 0.00 C ATOM 306 C VAL A 20 -0.768 8.800 3.300 1.00 0.00 C ATOM 307 O VAL A 20 -0.580 7.779 3.963 1.00 0.00 O ATOM 308 CB VAL A 20 -2.750 10.260 3.845 1.00 0.00 C ATOM 309 CG1 VAL A 20 -3.469 8.996 4.294 1.00 0.00 C ATOM 310 CG2 VAL A 20 -3.225 11.457 4.656 1.00 0.00 C ATOM 0 H VAL A 20 -1.133 11.923 2.924 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.962 10.071 5.027 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.990 10.426 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.546 9.135 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.153 8.158 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.224 8.788 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.306 11.555 4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.964 11.313 5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.745 12.362 4.284 1.00 0.00 H new ATOM 320 N PHE A 21 -0.568 8.851 1.985 1.00 0.00 N ATOM 321 CA PHE A 21 -0.124 7.688 1.231 1.00 0.00 C ATOM 322 C PHE A 21 1.252 7.222 1.689 1.00 0.00 C ATOM 323 O PHE A 21 1.436 6.058 1.986 1.00 0.00 O ATOM 324 CB PHE A 21 -0.062 7.978 -0.267 1.00 0.00 C ATOM 325 CG PHE A 21 0.352 6.783 -1.073 1.00 0.00 C ATOM 326 CD1 PHE A 21 -0.507 5.709 -1.230 1.00 0.00 C ATOM 327 CD2 PHE A 21 1.605 6.728 -1.658 1.00 0.00 C ATOM 328 CE1 PHE A 21 -0.123 4.601 -1.957 1.00 0.00 C ATOM 329 CE2 PHE A 21 1.993 5.625 -2.387 1.00 0.00 C ATOM 330 CZ PHE A 21 1.128 4.558 -2.537 1.00 0.00 C ATOM 0 H PHE A 21 -0.708 9.689 1.421 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.858 6.904 1.417 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.040 8.319 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.640 8.792 -0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.488 5.739 -0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.286 7.558 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.801 3.768 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.973 5.594 -2.841 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.431 3.692 -3.107 1.00 0.00 H new ATOM 340 N VAL A 22 2.217 8.138 1.747 1.00 0.00 N ATOM 341 CA VAL A 22 3.586 7.774 2.154 1.00 0.00 C ATOM 342 C VAL A 22 3.641 7.107 3.543 1.00 0.00 C ATOM 343 O VAL A 22 4.208 6.009 3.698 1.00 0.00 O ATOM 344 CB VAL A 22 4.550 8.981 2.145 1.00 0.00 C ATOM 345 CG1 VAL A 22 5.835 8.603 1.436 1.00 0.00 C ATOM 346 CG2 VAL A 22 3.924 10.200 1.486 1.00 0.00 C ATOM 0 H VAL A 22 2.087 9.124 1.523 1.00 0.00 H new ATOM 0 HA VAL A 22 3.912 7.053 1.405 1.00 0.00 H new ATOM 0 HB VAL A 22 4.767 9.246 3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.513 9.457 1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.306 7.769 1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.612 8.311 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.635 11.026 1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.664 9.963 0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.024 10.486 2.030 1.00 0.00 H new ATOM 356 N ARG A 23 3.055 7.752 4.552 1.00 0.00 N ATOM 357 CA ARG A 23 3.057 7.189 5.907 1.00 0.00 C ATOM 358 C ARG A 23 2.404 5.798 5.936 1.00 0.00 C ATOM 359 O ARG A 23 2.891 4.893 6.614 1.00 0.00 O ATOM 360 CB ARG A 23 2.374 8.130 6.908 1.00 0.00 C ATOM 361 CG ARG A 23 0.992 8.603 6.493 1.00 0.00 C ATOM 362 CD ARG A 23 0.346 9.457 7.575 1.00 0.00 C ATOM 363 NE ARG A 23 1.237 10.512 8.049 1.00 0.00 N ATOM 364 CZ ARG A 23 1.162 11.051 9.236 1.00 0.00 C ATOM 365 NH1 ARG A 23 0.263 10.662 10.085 1.00 0.00 N ATOM 366 NH2 ARG A 23 1.995 11.978 9.582 1.00 0.00 N ATOM 0 H ARG A 23 2.580 8.650 4.463 1.00 0.00 H new ATOM 0 HA ARG A 23 4.099 7.079 6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.296 7.621 7.869 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.011 9.001 7.060 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.065 9.178 5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.359 7.741 6.282 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.569 9.904 7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.059 8.822 8.413 1.00 0.00 H new ATOM 0 HE ARG A 23 1.962 10.848 7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.396 9.927 9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.215 11.091 11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.712 12.289 8.927 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.935 12.398 10.510 1.00 0.00 H new ATOM 380 N ASN A 24 1.322 5.619 5.184 1.00 0.00 N ATOM 381 CA ASN A 24 0.649 4.322 5.127 1.00 0.00 C ATOM 382 C ASN A 24 1.390 3.358 4.188 1.00 0.00 C ATOM 383 O ASN A 24 1.313 2.142 4.348 1.00 0.00 O ATOM 384 CB ASN A 24 -0.804 4.492 4.685 1.00 0.00 C ATOM 385 CG ASN A 24 -1.685 4.986 5.815 1.00 0.00 C ATOM 386 OD1 ASN A 24 -1.353 4.840 6.988 1.00 0.00 O ATOM 387 ND2 ASN A 24 -2.819 5.561 5.476 1.00 0.00 N ATOM 0 H ASN A 24 0.895 6.346 4.611 1.00 0.00 H new ATOM 0 HA ASN A 24 0.659 3.891 6.128 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.851 5.196 3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.185 3.539 4.317 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.454 5.902 6.198 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.063 5.666 4.491 1.00 0.00 H new ATOM 394 N LEU A 25 2.101 3.922 3.208 1.00 0.00 N ATOM 395 CA LEU A 25 2.893 3.157 2.242 1.00 0.00 C ATOM 396 C LEU A 25 3.848 2.207 2.950 1.00 0.00 C ATOM 397 O LEU A 25 4.069 1.102 2.483 1.00 0.00 O ATOM 398 CB LEU A 25 3.680 4.102 1.327 1.00 0.00 C ATOM 399 CG LEU A 25 4.474 3.426 0.208 1.00 0.00 C ATOM 400 CD1 LEU A 25 3.541 2.718 -0.760 1.00 0.00 C ATOM 401 CD2 LEU A 25 5.330 4.446 -0.526 1.00 0.00 C ATOM 0 H LEU A 25 2.143 4.931 3.062 1.00 0.00 H new ATOM 0 HA LEU A 25 2.205 2.567 1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.982 4.809 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.371 4.681 1.940 1.00 0.00 H new ATOM 0 HG LEU A 25 5.131 2.680 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.126 2.244 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.970 1.959 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.857 3.443 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.889 3.949 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.689 5.214 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.027 4.908 0.174 1.00 0.00 H new ATOM 413 N ASN A 26 4.436 2.655 4.059 1.00 0.00 N ATOM 414 CA ASN A 26 5.335 1.793 4.845 1.00 0.00 C ATOM 415 C ASN A 26 4.699 0.403 5.082 1.00 0.00 C ATOM 416 O ASN A 26 5.235 -0.631 4.654 1.00 0.00 O ATOM 417 CB ASN A 26 5.666 2.449 6.190 1.00 0.00 C ATOM 418 CG ASN A 26 6.437 3.745 6.034 1.00 0.00 C ATOM 419 OD1 ASN A 26 7.658 3.749 5.935 1.00 0.00 O ATOM 420 ND2 ASN A 26 5.734 4.858 6.025 1.00 0.00 N ATOM 0 H ASN A 26 4.312 3.595 4.434 1.00 0.00 H new ATOM 0 HA ASN A 26 6.256 1.662 4.277 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.741 2.644 6.732 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.249 1.754 6.795 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.205 5.758 5.934 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.718 4.820 6.109 1.00 0.00 H new ATOM 427 N GLU A 27 3.532 0.390 5.727 1.00 0.00 N ATOM 428 CA GLU A 27 2.816 -0.857 5.995 1.00 0.00 C ATOM 429 C GLU A 27 2.246 -1.420 4.693 1.00 0.00 C ATOM 430 O GLU A 27 2.232 -2.629 4.473 1.00 0.00 O ATOM 431 CB GLU A 27 1.688 -0.616 7.005 1.00 0.00 C ATOM 432 CG GLU A 27 0.742 -1.799 7.165 1.00 0.00 C ATOM 433 CD GLU A 27 -0.099 -1.714 8.420 1.00 0.00 C ATOM 434 OE1 GLU A 27 -1.143 -1.032 8.402 1.00 0.00 O ATOM 435 OE2 GLU A 27 0.284 -2.332 9.436 1.00 0.00 O ATOM 0 H GLU A 27 3.063 1.227 6.073 1.00 0.00 H new ATOM 0 HA GLU A 27 3.513 -1.580 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.126 -0.379 7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.114 0.256 6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.085 -1.853 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.322 -2.722 7.184 1.00 0.00 H new ATOM 442 N LEU A 28 1.795 -0.519 3.830 1.00 0.00 N ATOM 443 CA LEU A 28 1.238 -0.884 2.532 1.00 0.00 C ATOM 444 C LEU A 28 2.238 -1.722 1.716 1.00 0.00 C ATOM 445 O LEU A 28 1.870 -2.716 1.090 1.00 0.00 O ATOM 446 CB LEU A 28 0.846 0.393 1.778 1.00 0.00 C ATOM 447 CG LEU A 28 -0.659 0.650 1.659 1.00 0.00 C ATOM 448 CD1 LEU A 28 -0.918 2.004 1.016 1.00 0.00 C ATOM 449 CD2 LEU A 28 -1.333 -0.455 0.863 1.00 0.00 C ATOM 0 H LEU A 28 1.805 0.485 4.009 1.00 0.00 H new ATOM 0 HA LEU A 28 0.351 -1.499 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.304 1.246 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.270 0.347 0.775 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.085 0.656 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.992 2.171 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.472 2.788 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.475 2.024 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.401 -0.252 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.903 -0.496 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.178 -1.411 1.364 1.00 0.00 H new ATOM 461 N GLU A 29 3.507 -1.322 1.741 1.00 0.00 N ATOM 462 CA GLU A 29 4.566 -2.041 1.033 1.00 0.00 C ATOM 463 C GLU A 29 4.832 -3.393 1.690 1.00 0.00 C ATOM 464 O GLU A 29 5.067 -4.389 1.005 1.00 0.00 O ATOM 465 CB GLU A 29 5.851 -1.216 1.005 1.00 0.00 C ATOM 466 CG GLU A 29 5.806 -0.050 0.035 1.00 0.00 C ATOM 467 CD GLU A 29 7.016 0.847 0.154 1.00 0.00 C ATOM 468 OE1 GLU A 29 7.231 1.419 1.240 1.00 0.00 O ATOM 469 OE2 GLU A 29 7.763 0.975 -0.836 1.00 0.00 O ATOM 0 H GLU A 29 3.830 -0.498 2.248 1.00 0.00 H new ATOM 0 HA GLU A 29 4.233 -2.208 0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.050 -0.836 2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.684 -1.866 0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.739 -0.431 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.904 0.535 0.216 1.00 0.00 H new ATOM 476 N ALA A 30 4.790 -3.426 3.023 1.00 0.00 N ATOM 477 CA ALA A 30 4.998 -4.670 3.754 1.00 0.00 C ATOM 478 C ALA A 30 3.885 -5.654 3.400 1.00 0.00 C ATOM 479 O ALA A 30 4.121 -6.845 3.199 1.00 0.00 O ATOM 480 CB ALA A 30 5.033 -4.407 5.252 1.00 0.00 C ATOM 0 H ALA A 30 4.615 -2.611 3.611 1.00 0.00 H new ATOM 0 HA ALA A 30 5.958 -5.102 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.189 -5.346 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.848 -3.721 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.087 -3.966 5.566 1.00 0.00 H new ATOM 486 N LEU A 31 2.670 -5.126 3.295 1.00 0.00 N ATOM 487 CA LEU A 31 1.513 -5.928 2.932 1.00 0.00 C ATOM 488 C LEU A 31 1.651 -6.471 1.506 1.00 0.00 C ATOM 489 O LEU A 31 1.373 -7.641 1.247 1.00 0.00 O ATOM 490 CB LEU A 31 0.229 -5.106 3.047 1.00 0.00 C ATOM 491 CG LEU A 31 -0.138 -4.660 4.462 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.196 -3.570 4.413 1.00 0.00 C ATOM 493 CD2 LEU A 31 -0.625 -5.843 5.286 1.00 0.00 C ATOM 0 H LEU A 31 2.463 -4.141 3.458 1.00 0.00 H new ATOM 0 HA LEU A 31 1.460 -6.768 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.327 -4.221 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.596 -5.693 2.644 1.00 0.00 H new ATOM 0 HG LEU A 31 0.754 -4.255 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.448 -3.262 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.811 -2.714 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.089 -3.951 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.882 -5.506 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.506 -6.278 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.163 -6.594 5.346 1.00 0.00 H new ATOM 505 N ALA A 32 2.083 -5.610 0.584 1.00 0.00 N ATOM 506 CA ALA A 32 2.277 -5.997 -0.815 1.00 0.00 C ATOM 507 C ALA A 32 3.251 -7.173 -0.942 1.00 0.00 C ATOM 508 O ALA A 32 3.003 -8.116 -1.692 1.00 0.00 O ATOM 509 CB ALA A 32 2.779 -4.813 -1.626 1.00 0.00 C ATOM 0 H ALA A 32 2.306 -4.635 0.782 1.00 0.00 H new ATOM 0 HA ALA A 32 1.312 -6.316 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.919 -5.116 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.050 -4.004 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.729 -4.469 -1.218 1.00 0.00 H new ATOM 515 N VAL A 33 4.360 -7.108 -0.204 1.00 0.00 N ATOM 516 CA VAL A 33 5.361 -8.178 -0.217 1.00 0.00 C ATOM 517 C VAL A 33 4.754 -9.500 0.276 1.00 0.00 C ATOM 518 O VAL A 33 5.048 -10.572 -0.254 1.00 0.00 O ATOM 519 CB VAL A 33 6.585 -7.808 0.652 1.00 0.00 C ATOM 520 CG1 VAL A 33 7.551 -8.978 0.771 1.00 0.00 C ATOM 521 CG2 VAL A 33 7.295 -6.591 0.076 1.00 0.00 C ATOM 0 H VAL A 33 4.589 -6.326 0.410 1.00 0.00 H new ATOM 0 HA VAL A 33 5.692 -8.304 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 33 6.226 -7.566 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.401 -8.687 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.042 -9.825 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.903 -9.262 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.155 -6.343 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.632 -6.812 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.607 -5.746 0.053 1.00 0.00 H new ATOM 531 N ARG A 34 3.900 -9.411 1.292 1.00 0.00 N ATOM 532 CA ARG A 34 3.228 -10.589 1.845 1.00 0.00 C ATOM 533 C ARG A 34 2.315 -11.254 0.805 1.00 0.00 C ATOM 534 O ARG A 34 2.351 -12.470 0.612 1.00 0.00 O ATOM 535 CB ARG A 34 2.370 -10.200 3.049 1.00 0.00 C ATOM 536 CG ARG A 34 3.146 -9.650 4.231 1.00 0.00 C ATOM 537 CD ARG A 34 2.207 -8.984 5.223 1.00 0.00 C ATOM 538 NE ARG A 34 2.829 -8.751 6.519 1.00 0.00 N ATOM 539 CZ ARG A 34 2.269 -9.062 7.655 1.00 0.00 C ATOM 540 NH1 ARG A 34 1.127 -9.671 7.679 1.00 0.00 N ATOM 541 NH2 ARG A 34 2.860 -8.774 8.772 1.00 0.00 N ATOM 0 H ARG A 34 3.655 -8.534 1.752 1.00 0.00 H new ATOM 0 HA ARG A 34 4.008 -11.289 2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.641 -9.454 2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.809 -11.076 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.691 -10.456 4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.887 -8.930 3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.866 -8.033 4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.324 -9.609 5.356 1.00 0.00 H new ATOM 0 HE ARG A 34 3.754 -8.321 6.539 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.659 -9.911 6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.696 -9.911 8.572 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.765 -8.303 8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.420 -9.018 9.659 1.00 0.00 H new ATOM 555 N LEU A 35 1.502 -10.439 0.139 1.00 0.00 N ATOM 556 CA LEU A 35 0.546 -10.936 -0.857 1.00 0.00 C ATOM 557 C LEU A 35 1.229 -11.442 -2.135 1.00 0.00 C ATOM 558 O LEU A 35 0.906 -12.523 -2.626 1.00 0.00 O ATOM 559 CB LEU A 35 -0.471 -9.847 -1.206 1.00 0.00 C ATOM 560 CG LEU A 35 -0.928 -8.984 -0.029 1.00 0.00 C ATOM 561 CD1 LEU A 35 -2.004 -8.005 -0.463 1.00 0.00 C ATOM 562 CD2 LEU A 35 -1.424 -9.855 1.111 1.00 0.00 C ATOM 0 H LEU A 35 1.483 -9.427 0.269 1.00 0.00 H new ATOM 0 HA LEU A 35 0.036 -11.787 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.037 -9.197 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.347 -10.319 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.071 -8.411 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.313 -7.402 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.610 -7.354 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.862 -8.555 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.745 -9.223 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.265 -10.459 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.619 -10.510 1.445 1.00 0.00 H new ATOM 574 N GLY A 36 2.150 -10.662 -2.688 1.00 0.00 N ATOM 575 CA GLY A 36 2.833 -11.097 -3.896 1.00 0.00 C ATOM 576 C GLY A 36 3.174 -9.971 -4.867 1.00 0.00 C ATOM 577 O GLY A 36 2.857 -8.802 -4.631 1.00 0.00 O ATOM 0 H GLY A 36 2.434 -9.750 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.753 -11.609 -3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.207 -11.827 -4.410 1.00 0.00 H new ATOM 581 N LYS A 37 3.810 -10.341 -5.976 1.00 0.00 N ATOM 582 CA LYS A 37 4.224 -9.381 -7.005 1.00 0.00 C ATOM 583 C LYS A 37 3.045 -8.619 -7.632 1.00 0.00 C ATOM 584 O LYS A 37 3.183 -7.447 -7.976 1.00 0.00 O ATOM 585 CB LYS A 37 5.010 -10.098 -8.106 1.00 0.00 C ATOM 586 CG LYS A 37 4.320 -11.345 -8.635 1.00 0.00 C ATOM 587 CD LYS A 37 4.834 -11.732 -10.011 1.00 0.00 C ATOM 588 CE LYS A 37 4.286 -10.813 -11.090 1.00 0.00 C ATOM 589 NZ LYS A 37 4.582 -11.323 -12.455 1.00 0.00 N ATOM 0 H LYS A 37 4.053 -11.308 -6.189 1.00 0.00 H new ATOM 0 HA LYS A 37 4.853 -8.644 -6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.175 -9.406 -8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.992 -10.373 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.480 -12.171 -7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.245 -11.173 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.923 -11.693 -10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.550 -12.761 -10.230 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.208 -10.711 -10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.716 -9.818 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.192 -10.668 -13.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.612 -11.397 -12.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.150 -12.261 -12.576 1.00 0.00 H new ATOM 603 N SER A 38 1.892 -9.273 -7.778 1.00 0.00 N ATOM 604 CA SER A 38 0.716 -8.622 -8.379 1.00 0.00 C ATOM 605 C SER A 38 0.316 -7.368 -7.597 1.00 0.00 C ATOM 606 O SER A 38 0.152 -6.290 -8.172 1.00 0.00 O ATOM 607 CB SER A 38 -0.471 -9.589 -8.453 1.00 0.00 C ATOM 608 OG SER A 38 -0.930 -9.957 -7.161 1.00 0.00 O ATOM 0 H SER A 38 1.743 -10.241 -7.494 1.00 0.00 H new ATOM 0 HA SER A 38 0.992 -8.327 -9.391 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.285 -9.124 -9.010 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.178 -10.483 -9.003 1.00 0.00 H new ATOM 0 HG SER A 38 -1.688 -10.572 -7.246 1.00 0.00 H new ATOM 614 N TYR A 39 0.179 -7.506 -6.284 1.00 0.00 N ATOM 615 CA TYR A 39 -0.181 -6.383 -5.429 1.00 0.00 C ATOM 616 C TYR A 39 0.957 -5.363 -5.361 1.00 0.00 C ATOM 617 O TYR A 39 0.721 -4.161 -5.231 1.00 0.00 O ATOM 618 CB TYR A 39 -0.542 -6.882 -4.034 1.00 0.00 C ATOM 619 CG TYR A 39 -1.863 -7.612 -3.992 1.00 0.00 C ATOM 620 CD1 TYR A 39 -3.051 -6.921 -3.793 1.00 0.00 C ATOM 621 CD2 TYR A 39 -1.925 -8.989 -4.155 1.00 0.00 C ATOM 622 CE1 TYR A 39 -4.262 -7.581 -3.756 1.00 0.00 C ATOM 623 CE2 TYR A 39 -3.132 -9.656 -4.120 1.00 0.00 C ATOM 624 CZ TYR A 39 -4.296 -8.949 -3.920 1.00 0.00 C ATOM 625 OH TYR A 39 -5.501 -9.609 -3.885 1.00 0.00 O ATOM 0 H TYR A 39 0.312 -8.387 -5.788 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.051 -5.886 -5.858 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.245 -7.546 -3.677 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.580 -6.035 -3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.027 -5.849 -3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.014 -9.547 -4.312 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.177 -7.029 -3.600 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.164 -10.728 -4.249 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.575 -10.196 -4.666 1.00 0.00 H new ATOM 635 N ARG A 40 2.193 -5.851 -5.454 1.00 0.00 N ATOM 636 CA ARG A 40 3.367 -4.981 -5.443 1.00 0.00 C ATOM 637 C ARG A 40 3.314 -4.001 -6.621 1.00 0.00 C ATOM 638 O ARG A 40 3.610 -2.817 -6.470 1.00 0.00 O ATOM 639 CB ARG A 40 4.648 -5.815 -5.513 1.00 0.00 C ATOM 640 CG ARG A 40 5.304 -6.045 -4.161 1.00 0.00 C ATOM 641 CD ARG A 40 5.980 -4.782 -3.649 1.00 0.00 C ATOM 642 NE ARG A 40 6.978 -4.274 -4.587 1.00 0.00 N ATOM 643 CZ ARG A 40 7.471 -3.065 -4.546 1.00 0.00 C ATOM 644 NH1 ARG A 40 7.091 -2.231 -3.628 1.00 0.00 N ATOM 645 NH2 ARG A 40 8.355 -2.693 -5.418 1.00 0.00 N ATOM 0 H ARG A 40 2.407 -6.845 -5.538 1.00 0.00 H new ATOM 0 HA ARG A 40 3.368 -4.413 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.418 -6.780 -5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.359 -5.317 -6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.554 -6.375 -3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.040 -6.845 -4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.227 -4.015 -3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.456 -4.989 -2.691 1.00 0.00 H new ATOM 0 HE ARG A 40 7.310 -4.902 -5.319 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.403 -2.518 -2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.480 -1.289 -3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.667 -3.345 -6.138 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.739 -1.749 -5.384 1.00 0.00 H new ATOM 659 N ILE A 41 2.921 -4.508 -7.788 1.00 0.00 N ATOM 660 CA ILE A 41 2.799 -3.683 -8.991 1.00 0.00 C ATOM 661 C ILE A 41 1.697 -2.627 -8.818 1.00 0.00 C ATOM 662 O ILE A 41 1.893 -1.449 -9.126 1.00 0.00 O ATOM 663 CB ILE A 41 2.491 -4.550 -10.234 1.00 0.00 C ATOM 664 CG1 ILE A 41 3.612 -5.568 -10.472 1.00 0.00 C ATOM 665 CG2 ILE A 41 2.291 -3.680 -11.467 1.00 0.00 C ATOM 666 CD1 ILE A 41 4.984 -4.945 -10.637 1.00 0.00 C ATOM 0 H ILE A 41 2.681 -5.489 -7.927 1.00 0.00 H new ATOM 0 HA ILE A 41 3.755 -3.182 -9.141 1.00 0.00 H new ATOM 0 HB ILE A 41 1.564 -5.093 -10.047 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.639 -6.266 -9.635 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.378 -6.149 -11.364 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.076 -4.313 -12.328 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.457 -2.998 -11.300 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.197 -3.105 -11.657 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.722 -5.730 -10.801 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.976 -4.269 -11.492 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.241 -4.388 -9.736 1.00 0.00 H new ATOM 678 N GLN A 42 0.540 -3.058 -8.312 1.00 0.00 N ATOM 679 CA GLN A 42 -0.588 -2.152 -8.073 1.00 0.00 C ATOM 680 C GLN A 42 -0.190 -1.036 -7.099 1.00 0.00 C ATOM 681 O GLN A 42 -0.508 0.139 -7.302 1.00 0.00 O ATOM 682 CB GLN A 42 -1.780 -2.928 -7.505 1.00 0.00 C ATOM 683 CG GLN A 42 -2.233 -4.089 -8.377 1.00 0.00 C ATOM 684 CD GLN A 42 -3.294 -4.948 -7.709 1.00 0.00 C ATOM 685 OE1 GLN A 42 -3.345 -6.158 -7.905 1.00 0.00 O ATOM 686 NE2 GLN A 42 -4.154 -4.331 -6.921 1.00 0.00 N ATOM 0 H GLN A 42 0.358 -4.029 -8.059 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.871 -1.704 -9.025 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.516 -3.309 -6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.616 -2.242 -7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.625 -3.700 -9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.372 -4.710 -8.624 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.084 -3.323 -6.779 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.889 -4.862 -6.454 1.00 0.00 H new ATOM 695 N LEU A 43 0.520 -1.413 -6.042 1.00 0.00 N ATOM 696 CA LEU A 43 0.978 -0.458 -5.040 1.00 0.00 C ATOM 697 C LEU A 43 2.010 0.501 -5.633 1.00 0.00 C ATOM 698 O LEU A 43 1.969 1.703 -5.379 1.00 0.00 O ATOM 699 CB LEU A 43 1.582 -1.191 -3.849 1.00 0.00 C ATOM 700 CG LEU A 43 2.072 -0.288 -2.721 1.00 0.00 C ATOM 701 CD1 LEU A 43 0.899 0.370 -2.014 1.00 0.00 C ATOM 702 CD2 LEU A 43 2.915 -1.082 -1.744 1.00 0.00 C ATOM 0 H LEU A 43 0.792 -2.378 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 43 0.117 0.121 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.837 -1.878 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.418 -1.797 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 43 2.692 0.500 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.269 1.010 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.335 0.971 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.250 -0.398 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.259 -0.427 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.318 -1.889 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.776 -1.502 -2.264 1.00 0.00 H new ATOM 714 N ASP A 44 2.938 -0.039 -6.417 1.00 0.00 N ATOM 715 CA ASP A 44 3.968 0.768 -7.064 1.00 0.00 C ATOM 716 C ASP A 44 3.334 1.853 -7.945 1.00 0.00 C ATOM 717 O ASP A 44 3.816 2.986 -8.007 1.00 0.00 O ATOM 718 CB ASP A 44 4.892 -0.120 -7.889 1.00 0.00 C ATOM 719 CG ASP A 44 6.197 0.570 -8.211 1.00 0.00 C ATOM 720 OD1 ASP A 44 7.117 0.525 -7.371 1.00 0.00 O ATOM 721 OD2 ASP A 44 6.305 1.175 -9.295 1.00 0.00 O ATOM 0 H ASP A 44 2.998 -1.037 -6.620 1.00 0.00 H new ATOM 0 HA ASP A 44 4.557 1.261 -6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.094 -1.041 -7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.392 -0.402 -8.816 1.00 0.00 H new ATOM 726 N GLN A 45 2.248 1.503 -8.628 1.00 0.00 N ATOM 727 CA GLN A 45 1.531 2.465 -9.462 1.00 0.00 C ATOM 728 C GLN A 45 0.938 3.578 -8.592 1.00 0.00 C ATOM 729 O GLN A 45 0.943 4.750 -8.967 1.00 0.00 O ATOM 730 CB GLN A 45 0.428 1.770 -10.256 1.00 0.00 C ATOM 731 CG GLN A 45 0.943 1.017 -11.468 1.00 0.00 C ATOM 732 CD GLN A 45 1.650 1.924 -12.461 1.00 0.00 C ATOM 733 OE1 GLN A 45 1.331 3.102 -12.585 1.00 0.00 O ATOM 734 NE2 GLN A 45 2.617 1.388 -13.176 1.00 0.00 N ATOM 0 H GLN A 45 1.846 0.566 -8.621 1.00 0.00 H new ATOM 0 HA GLN A 45 2.236 2.906 -10.167 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.098 1.075 -9.602 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.299 2.514 -10.581 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.630 0.236 -11.141 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.109 0.521 -11.964 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.860 0.405 -13.050 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.124 1.956 -13.855 1.00 0.00 H new ATOM 743 N ALA A 46 0.435 3.195 -7.422 1.00 0.00 N ATOM 744 CA ALA A 46 -0.126 4.156 -6.471 1.00 0.00 C ATOM 745 C ALA A 46 0.935 5.170 -6.016 1.00 0.00 C ATOM 746 O ALA A 46 0.639 6.351 -5.842 1.00 0.00 O ATOM 747 CB ALA A 46 -0.726 3.431 -5.277 1.00 0.00 C ATOM 0 H ALA A 46 0.403 2.225 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.919 4.709 -6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.139 4.159 -4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.518 2.764 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.049 2.849 -4.778 1.00 0.00 H new ATOM 753 N LYS A 47 2.174 4.708 -5.822 1.00 0.00 N ATOM 754 CA LYS A 47 3.261 5.611 -5.424 1.00 0.00 C ATOM 755 C LYS A 47 3.608 6.554 -6.576 1.00 0.00 C ATOM 756 O LYS A 47 3.910 7.723 -6.363 1.00 0.00 O ATOM 757 CB LYS A 47 4.527 4.855 -4.995 1.00 0.00 C ATOM 758 CG LYS A 47 4.337 3.371 -4.737 1.00 0.00 C ATOM 759 CD LYS A 47 5.649 2.692 -4.368 1.00 0.00 C ATOM 760 CE LYS A 47 6.761 3.063 -5.339 1.00 0.00 C ATOM 761 NZ LYS A 47 7.865 2.068 -5.338 1.00 0.00 N ATOM 0 H LYS A 47 2.448 3.732 -5.931 1.00 0.00 H new ATOM 0 HA LYS A 47 2.902 6.177 -4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.285 4.979 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.918 5.318 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.616 3.231 -3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.919 2.898 -5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.937 2.979 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.512 1.611 -4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.350 3.145 -6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.158 4.043 -5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.694 2.469 -5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.118 1.831 -4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.557 1.207 -5.834 1.00 0.00 H new ATOM 775 N GLU A 48 3.542 6.035 -7.802 1.00 0.00 N ATOM 776 CA GLU A 48 3.832 6.824 -8.998 1.00 0.00 C ATOM 777 C GLU A 48 2.816 7.954 -9.121 1.00 0.00 C ATOM 778 O GLU A 48 3.148 9.079 -9.492 1.00 0.00 O ATOM 779 CB GLU A 48 3.773 5.926 -10.236 1.00 0.00 C ATOM 780 CG GLU A 48 4.859 6.205 -11.259 1.00 0.00 C ATOM 781 CD GLU A 48 4.598 7.454 -12.074 1.00 0.00 C ATOM 782 OE1 GLU A 48 3.929 7.355 -13.127 1.00 0.00 O ATOM 783 OE2 GLU A 48 5.064 8.536 -11.674 1.00 0.00 O ATOM 0 H GLU A 48 3.289 5.066 -7.993 1.00 0.00 H new ATOM 0 HA GLU A 48 4.832 7.250 -8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.846 4.885 -9.920 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.800 6.047 -10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.816 6.306 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.946 5.351 -11.931 1.00 0.00 H new ATOM 790 N LYS A 49 1.572 7.626 -8.794 1.00 0.00 N ATOM 791 CA LYS A 49 0.473 8.586 -8.817 1.00 0.00 C ATOM 792 C LYS A 49 0.799 9.827 -7.968 1.00 0.00 C ATOM 793 O LYS A 49 0.500 10.957 -8.349 1.00 0.00 O ATOM 794 CB LYS A 49 -0.803 7.908 -8.302 1.00 0.00 C ATOM 795 CG LYS A 49 -1.950 8.861 -7.999 1.00 0.00 C ATOM 796 CD LYS A 49 -2.991 8.196 -7.112 1.00 0.00 C ATOM 797 CE LYS A 49 -4.152 9.126 -6.800 1.00 0.00 C ATOM 798 NZ LYS A 49 -4.977 9.421 -8.001 1.00 0.00 N ATOM 0 H LYS A 49 1.296 6.688 -8.505 1.00 0.00 H new ATOM 0 HA LYS A 49 0.322 8.919 -9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.137 7.182 -9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.562 7.351 -7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.565 9.754 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.414 9.185 -8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.367 7.299 -7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.523 7.876 -6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.780 8.674 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.767 10.059 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.803 9.989 -7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.408 9.952 -8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.298 8.529 -8.429 1.00 0.00 H new ATOM 812 N TRP A 50 1.424 9.603 -6.817 1.00 0.00 N ATOM 813 CA TRP A 50 1.800 10.689 -5.918 1.00 0.00 C ATOM 814 C TRP A 50 3.270 11.098 -6.097 1.00 0.00 C ATOM 815 O TRP A 50 3.789 11.914 -5.334 1.00 0.00 O ATOM 816 CB TRP A 50 1.561 10.259 -4.474 1.00 0.00 C ATOM 817 CG TRP A 50 0.120 10.230 -4.085 1.00 0.00 C ATOM 818 CD1 TRP A 50 -0.565 9.167 -3.582 1.00 0.00 C ATOM 819 CD2 TRP A 50 -0.814 11.313 -4.167 1.00 0.00 C ATOM 820 NE1 TRP A 50 -1.861 9.525 -3.322 1.00 0.00 N ATOM 821 CE2 TRP A 50 -2.043 10.835 -3.681 1.00 0.00 C ATOM 822 CE3 TRP A 50 -0.730 12.640 -4.599 1.00 0.00 C ATOM 823 CZ2 TRP A 50 -3.180 11.638 -3.614 1.00 0.00 C ATOM 824 CZ3 TRP A 50 -1.858 13.434 -4.534 1.00 0.00 C ATOM 825 CH2 TRP A 50 -3.069 12.931 -4.045 1.00 0.00 C ATOM 0 H TRP A 50 1.682 8.674 -6.483 1.00 0.00 H new ATOM 0 HA TRP A 50 1.183 11.554 -6.161 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.988 9.267 -4.325 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.094 10.939 -3.809 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -0.148 8.185 -3.413 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -2.576 8.915 -2.925 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.201 13.037 -4.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -4.115 11.253 -3.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.805 14.460 -4.866 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -3.934 13.577 -4.007 1.00 0.00 H new ATOM 836 N LYS A 51 3.927 10.528 -7.109 1.00 0.00 N ATOM 837 CA LYS A 51 5.344 10.806 -7.406 1.00 0.00 C ATOM 838 C LYS A 51 6.273 10.369 -6.263 1.00 0.00 C ATOM 839 O LYS A 51 7.355 10.925 -6.077 1.00 0.00 O ATOM 840 CB LYS A 51 5.553 12.292 -7.724 1.00 0.00 C ATOM 841 CG LYS A 51 4.803 12.758 -8.961 1.00 0.00 C ATOM 842 CD LYS A 51 5.215 11.966 -10.191 1.00 0.00 C ATOM 843 CE LYS A 51 4.132 11.985 -11.253 1.00 0.00 C ATOM 844 NZ LYS A 51 4.398 10.999 -12.329 1.00 0.00 N ATOM 0 H LYS A 51 3.497 9.860 -7.749 1.00 0.00 H new ATOM 0 HA LYS A 51 5.606 10.216 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.233 12.887 -6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.618 12.480 -7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.730 12.651 -8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.996 13.818 -9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.135 12.382 -10.601 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.429 10.936 -9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.168 11.769 -10.793 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.063 12.984 -11.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.504 10.742 -12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.045 11.415 -13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.833 10.147 -11.920 1.00 0.00 H new ATOM 858 N VAL A 52 5.854 9.355 -5.515 1.00 0.00 N ATOM 859 CA VAL A 52 6.644 8.838 -4.398 1.00 0.00 C ATOM 860 C VAL A 52 7.678 7.814 -4.883 1.00 0.00 C ATOM 861 O VAL A 52 7.328 6.778 -5.457 1.00 0.00 O ATOM 862 CB VAL A 52 5.745 8.182 -3.327 1.00 0.00 C ATOM 863 CG1 VAL A 52 6.577 7.672 -2.160 1.00 0.00 C ATOM 864 CG2 VAL A 52 4.687 9.161 -2.841 1.00 0.00 C ATOM 0 H VAL A 52 4.968 8.871 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 52 7.160 9.689 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 52 5.241 7.330 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.922 7.214 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.292 6.932 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.114 8.504 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.064 8.679 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.172 10.035 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.065 9.471 -3.681 1.00 0.00 H new ATOM 874 N LYS A 53 8.949 8.113 -4.655 1.00 0.00 N ATOM 875 CA LYS A 53 10.037 7.226 -5.073 1.00 0.00 C ATOM 876 C LYS A 53 10.865 6.736 -3.877 1.00 0.00 C ATOM 877 O LYS A 53 10.896 5.510 -3.639 1.00 0.00 O ATOM 878 CB LYS A 53 10.938 7.942 -6.080 1.00 0.00 C ATOM 879 CG LYS A 53 10.221 8.316 -7.367 1.00 0.00 C ATOM 880 CD LYS A 53 11.104 9.142 -8.285 1.00 0.00 C ATOM 881 CE LYS A 53 10.391 9.475 -9.585 1.00 0.00 C ATOM 882 NZ LYS A 53 11.219 10.331 -10.471 1.00 0.00 N ATOM 883 OXT LYS A 53 11.469 7.581 -3.175 1.00 0.00 O ATOM 0 H LYS A 53 9.257 8.963 -4.183 1.00 0.00 H new ATOM 0 HA LYS A 53 9.590 6.351 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.340 8.845 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.787 7.301 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.906 7.410 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.317 8.878 -7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.395 10.064 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.021 8.594 -8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.138 8.552 -10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.453 9.983 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.695 10.534 -11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.439 11.223 -9.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.104 9.836 -10.704 1.00 0.00 H new TER 897 LYS A 53