USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 652 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.0971 (180deg=-0.824) USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= -0.171 (180deg=-0.912) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0213 X(o=-0.021,f=-0.093) USER MOD Single : A 11 ASN :FLIP amide:sc= -2.87! C(o=-7.5!,f=-2.9!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -2:sc= 0.965 USER MOD Single : A 17 CYS SG : rot -170:sc= -5.83! USER MOD Single : A 22 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.078) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= -0.0444 (180deg=-0.443) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.478 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= -4.41! USER MOD Single : A 56 ASN :FLIP amide:sc= -1.48 F(o=-3.2!,f=-1.5) USER MOD Single : A 57 ASN : amide:sc= -2.28! C(o=-2.3!,f=-6.4!) USER MOD Single : A 58 ASN : amide:sc= -5.6! C(o=-5.6!,f=-9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.638 F(o=-2.9,f=-0.64) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -8.8! C(o=-8.8!,f=-16!) USER MOD Single : A 69 THR OG1 : rot 120:sc= -0.422 USER MOD Single : A 70 HIS : no HD1:sc= -0.957 K(o=-0.96,f=-2.5!) USER MOD Single : A 71 TYR OH : rot -49:sc= 0.0713 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -104:sc= 0.818 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.0177 F(o=-0.59,f=-0.018) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= -0.0579 (180deg=-0.488) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.309 -0.778 0.424 1.00 0.00 N ATOM 2 CA MET A 1 14.557 -1.404 -0.905 1.00 0.00 C ATOM 3 C MET A 1 13.258 -1.415 -1.715 1.00 0.00 C ATOM 4 O MET A 1 12.221 -0.988 -1.247 1.00 0.00 O ATOM 5 CB MET A 1 15.048 -2.840 -0.711 1.00 0.00 C ATOM 6 CG MET A 1 16.208 -2.853 0.287 1.00 0.00 C ATOM 7 SD MET A 1 16.871 -4.532 0.419 1.00 0.00 S ATOM 8 CE MET A 1 18.198 -4.160 1.591 1.00 0.00 C ATOM 0 H1 MET A 1 15.191 -0.356 0.779 1.00 0.00 H new ATOM 0 H2 MET A 1 13.585 -0.038 0.329 1.00 0.00 H new ATOM 0 H3 MET A 1 13.978 -1.502 1.093 1.00 0.00 H new ATOM 0 HA MET A 1 15.314 -0.830 -1.439 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.234 -3.468 -0.347 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.370 -3.257 -1.665 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.990 -2.166 -0.038 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.866 -2.508 1.263 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.749 -5.073 1.818 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.875 -3.427 1.153 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.770 -3.756 2.509 1.00 0.00 H new ATOM 20 N GLU A 2 13.307 -1.897 -2.926 1.00 0.00 N ATOM 21 CA GLU A 2 12.075 -1.933 -3.764 1.00 0.00 C ATOM 22 C GLU A 2 11.188 -3.097 -3.316 1.00 0.00 C ATOM 23 O GLU A 2 11.610 -4.236 -3.284 1.00 0.00 O ATOM 24 CB GLU A 2 12.462 -2.125 -5.232 1.00 0.00 C ATOM 25 CG GLU A 2 13.264 -0.914 -5.711 1.00 0.00 C ATOM 26 CD GLU A 2 13.868 -1.213 -7.085 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.963 -1.752 -7.124 1.00 0.00 O ATOM 28 OE2 GLU A 2 13.227 -0.900 -8.073 1.00 0.00 O ATOM 0 H GLU A 2 14.146 -2.267 -3.372 1.00 0.00 H new ATOM 0 HA GLU A 2 11.531 -0.995 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.052 -3.034 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.567 -2.246 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.619 -0.037 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.054 -0.682 -4.997 1.00 0.00 H new ATOM 35 N TRP A 3 9.957 -2.818 -2.968 1.00 0.00 N ATOM 36 CA TRP A 3 9.033 -3.905 -2.520 1.00 0.00 C ATOM 37 C TRP A 3 8.160 -4.346 -3.697 1.00 0.00 C ATOM 38 O TRP A 3 8.218 -3.780 -4.770 1.00 0.00 O ATOM 39 CB TRP A 3 8.138 -3.377 -1.397 1.00 0.00 C ATOM 40 CG TRP A 3 8.984 -2.962 -0.237 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.767 -1.858 -0.202 1.00 0.00 C ATOM 42 CD2 TRP A 3 9.148 -3.620 1.052 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.401 -1.799 1.026 1.00 0.00 N ATOM 44 CE2 TRP A 3 10.051 -2.864 1.834 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.605 -4.791 1.613 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.405 -3.253 3.126 1.00 0.00 C ATOM 47 CZ3 TRP A 3 8.958 -5.187 2.913 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.856 -4.419 3.668 1.00 0.00 C ATOM 0 H TRP A 3 9.551 -1.882 -2.975 1.00 0.00 H new ATOM 0 HA TRP A 3 9.614 -4.753 -2.158 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.551 -2.531 -1.753 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.432 -4.148 -1.088 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.878 -1.141 -1.002 1.00 0.00 H new ATOM 0 HE1 TRP A 3 11.048 -1.060 1.301 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.912 -5.389 1.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 11.098 -2.658 3.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.536 -6.088 3.334 1.00 0.00 H new ATOM 0 HH2 TRP A 3 10.123 -4.728 4.668 1.00 0.00 H new ATOM 59 N TRP A 4 7.348 -5.355 -3.500 1.00 0.00 N ATOM 60 CA TRP A 4 6.459 -5.843 -4.601 1.00 0.00 C ATOM 61 C TRP A 4 5.077 -6.157 -4.027 1.00 0.00 C ATOM 62 O TRP A 4 4.948 -6.886 -3.062 1.00 0.00 O ATOM 63 CB TRP A 4 7.055 -7.116 -5.210 1.00 0.00 C ATOM 64 CG TRP A 4 8.464 -6.857 -5.636 1.00 0.00 C ATOM 65 CD1 TRP A 4 9.503 -6.641 -4.795 1.00 0.00 C ATOM 66 CD2 TRP A 4 9.008 -6.787 -6.985 1.00 0.00 C ATOM 67 NE1 TRP A 4 10.648 -6.441 -5.543 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.396 -6.521 -6.898 1.00 0.00 C ATOM 69 CE3 TRP A 4 8.439 -6.924 -8.264 1.00 0.00 C ATOM 70 CZ2 TRP A 4 11.190 -6.397 -8.039 1.00 0.00 C ATOM 71 CZ3 TRP A 4 9.235 -6.800 -9.414 1.00 0.00 C ATOM 72 CH2 TRP A 4 10.607 -6.537 -9.302 1.00 0.00 C ATOM 0 H TRP A 4 7.262 -5.864 -2.620 1.00 0.00 H new ATOM 0 HA TRP A 4 6.374 -5.076 -5.371 1.00 0.00 H new ATOM 0 HB2 TRP A 4 7.028 -7.927 -4.482 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.459 -7.436 -6.065 1.00 0.00 H new ATOM 0 HD1 TRP A 4 9.446 -6.627 -3.717 1.00 0.00 H new ATOM 0 HE1 TRP A 4 11.568 -6.257 -5.142 1.00 0.00 H new ATOM 0 HE3 TRP A 4 7.383 -7.126 -8.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 12.247 -6.194 -7.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.787 -6.908 -10.391 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.213 -6.443 -10.191 1.00 0.00 H new ATOM 83 N VAL A 5 4.042 -5.610 -4.604 1.00 0.00 N ATOM 84 CA VAL A 5 2.674 -5.881 -4.077 1.00 0.00 C ATOM 85 C VAL A 5 2.250 -7.305 -4.446 1.00 0.00 C ATOM 86 O VAL A 5 2.484 -7.766 -5.545 1.00 0.00 O ATOM 87 CB VAL A 5 1.687 -4.884 -4.683 1.00 0.00 C ATOM 88 CG1 VAL A 5 2.075 -3.464 -4.268 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.726 -4.996 -6.208 1.00 0.00 C ATOM 0 H VAL A 5 4.083 -4.990 -5.413 1.00 0.00 H new ATOM 0 HA VAL A 5 2.680 -5.776 -2.992 1.00 0.00 H new ATOM 0 HB VAL A 5 0.681 -5.105 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.371 -2.753 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.051 -3.383 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.080 -3.242 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.023 -4.286 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.732 -4.774 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.451 -6.008 -6.506 1.00 0.00 H new ATOM 99 N LYS A 6 1.621 -8.001 -3.533 1.00 0.00 N ATOM 100 CA LYS A 6 1.163 -9.400 -3.812 1.00 0.00 C ATOM 101 C LYS A 6 -0.356 -9.399 -3.999 1.00 0.00 C ATOM 102 O LYS A 6 -0.898 -10.158 -4.779 1.00 0.00 O ATOM 103 CB LYS A 6 1.527 -10.299 -2.629 1.00 0.00 C ATOM 104 CG LYS A 6 1.121 -11.741 -2.940 1.00 0.00 C ATOM 105 CD LYS A 6 1.624 -12.664 -1.828 1.00 0.00 C ATOM 106 CE LYS A 6 1.056 -14.069 -2.036 1.00 0.00 C ATOM 107 NZ LYS A 6 -0.431 -14.019 -1.976 1.00 0.00 N ATOM 0 H LYS A 6 1.402 -7.658 -2.597 1.00 0.00 H new ATOM 0 HA LYS A 6 1.647 -9.774 -4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.598 -10.246 -2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.021 -9.954 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.037 -11.814 -3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.538 -12.049 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.714 -12.696 -1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.321 -12.278 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.378 -14.464 -2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.439 -14.744 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.798 -14.945 -1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.727 -13.293 -1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.809 -13.784 -2.916 1.00 0.00 H new ATOM 121 N LYS A 7 -1.044 -8.548 -3.288 1.00 0.00 N ATOM 122 CA LYS A 7 -2.529 -8.483 -3.414 1.00 0.00 C ATOM 123 C LYS A 7 -2.994 -7.071 -3.049 1.00 0.00 C ATOM 124 O LYS A 7 -2.250 -6.293 -2.486 1.00 0.00 O ATOM 125 CB LYS A 7 -3.167 -9.501 -2.462 1.00 0.00 C ATOM 126 CG LYS A 7 -4.629 -9.728 -2.852 1.00 0.00 C ATOM 127 CD LYS A 7 -5.217 -10.852 -1.996 1.00 0.00 C ATOM 128 CE LYS A 7 -6.660 -11.123 -2.426 1.00 0.00 C ATOM 129 NZ LYS A 7 -7.299 -12.056 -1.456 1.00 0.00 N ATOM 0 H LYS A 7 -0.639 -7.891 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.827 -8.716 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.620 -10.443 -2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.107 -9.140 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.201 -8.811 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.699 -9.987 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.619 -11.757 -2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.187 -10.574 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.219 -10.188 -2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.678 -11.554 -3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.280 -12.241 -1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.769 -12.951 -1.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.294 -11.628 -0.508 1.00 0.00 H new ATOM 143 N VAL A 8 -4.212 -6.727 -3.367 1.00 0.00 N ATOM 144 CA VAL A 8 -4.699 -5.358 -3.037 1.00 0.00 C ATOM 145 C VAL A 8 -6.229 -5.317 -3.096 1.00 0.00 C ATOM 146 O VAL A 8 -6.856 -6.082 -3.802 1.00 0.00 O ATOM 147 CB VAL A 8 -4.120 -4.358 -4.042 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.398 -4.846 -5.464 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.767 -2.984 -3.837 1.00 0.00 C ATOM 0 H VAL A 8 -4.887 -7.330 -3.838 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.376 -5.095 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.044 -4.275 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.986 -4.135 -6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.932 -5.820 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.474 -4.931 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.352 -2.276 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.844 -3.063 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.566 -2.635 -2.824 1.00 0.00 H new ATOM 159 N GLN A 9 -6.827 -4.417 -2.357 1.00 0.00 N ATOM 160 CA GLN A 9 -8.318 -4.293 -2.354 1.00 0.00 C ATOM 161 C GLN A 9 -8.694 -2.810 -2.426 1.00 0.00 C ATOM 162 O GLN A 9 -8.198 -1.999 -1.669 1.00 0.00 O ATOM 163 CB GLN A 9 -8.877 -4.899 -1.064 1.00 0.00 C ATOM 164 CG GLN A 9 -8.207 -6.250 -0.803 1.00 0.00 C ATOM 165 CD GLN A 9 -8.991 -7.010 0.270 1.00 0.00 C ATOM 166 OE1 GLN A 9 -10.170 -7.256 0.116 1.00 0.00 O ATOM 167 NE2 GLN A 9 -8.380 -7.392 1.358 1.00 0.00 N ATOM 0 H GLN A 9 -6.342 -3.756 -1.750 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.735 -4.822 -3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.699 -4.225 -0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.956 -5.026 -1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.170 -6.833 -1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.177 -6.101 -0.479 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.390 -7.185 1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.893 -7.898 2.080 1.00 0.00 H new ATOM 176 N ASP A 10 -9.560 -2.449 -3.332 1.00 0.00 N ATOM 177 CA ASP A 10 -9.960 -1.017 -3.455 1.00 0.00 C ATOM 178 C ASP A 10 -10.490 -0.513 -2.110 1.00 0.00 C ATOM 179 O ASP A 10 -10.663 -1.269 -1.175 1.00 0.00 O ATOM 180 CB ASP A 10 -11.051 -0.878 -4.518 1.00 0.00 C ATOM 181 CG ASP A 10 -12.114 -1.958 -4.304 1.00 0.00 C ATOM 182 OD1 ASP A 10 -11.819 -3.113 -4.563 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.205 -1.610 -3.883 1.00 0.00 O ATOM 0 H ASP A 10 -10.009 -3.083 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.092 -0.425 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.506 0.111 -4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.617 -0.972 -5.514 1.00 0.00 H new ATOM 188 N ASN A 11 -10.748 0.764 -2.009 1.00 0.00 N ATOM 189 CA ASN A 11 -11.265 1.322 -0.727 1.00 0.00 C ATOM 190 C ASN A 11 -12.747 0.979 -0.585 1.00 0.00 C ATOM 191 O ASN A 11 -13.594 1.848 -0.521 1.00 0.00 O ATOM 192 CB ASN A 11 -11.090 2.842 -0.723 1.00 0.00 C ATOM 193 CG ASN A 11 -11.968 3.462 -1.813 1.00 0.00 C ATOM 194 OD1 ASN A 11 -12.115 2.838 -2.950 1.00 0.00 O flip ATOM 195 ND2 ASN A 11 -12.524 4.526 -1.629 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.623 1.444 -2.759 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.710 0.892 0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.362 3.247 0.252 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.045 3.098 -0.894 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.410 5.014 -0.741 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.105 4.931 -2.363 1.00 0.00 H new ATOM 202 N ALA A 12 -13.068 -0.283 -0.535 1.00 0.00 N ATOM 203 CA ALA A 12 -14.494 -0.684 -0.397 1.00 0.00 C ATOM 204 C ALA A 12 -15.015 -0.259 0.978 1.00 0.00 C ATOM 205 O ALA A 12 -16.193 -0.344 1.260 1.00 0.00 O ATOM 206 CB ALA A 12 -14.610 -2.201 -0.543 1.00 0.00 C ATOM 0 H ALA A 12 -12.403 -1.055 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.086 -0.198 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.654 -2.497 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.240 -2.501 -1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.018 -2.687 0.232 1.00 0.00 H new ATOM 212 N SER A 13 -14.145 0.201 1.838 1.00 0.00 N ATOM 213 CA SER A 13 -14.593 0.632 3.193 1.00 0.00 C ATOM 214 C SER A 13 -15.153 2.054 3.114 1.00 0.00 C ATOM 215 O SER A 13 -16.208 2.344 3.640 1.00 0.00 O ATOM 216 CB SER A 13 -13.402 0.606 4.156 1.00 0.00 C ATOM 217 OG SER A 13 -13.880 0.656 5.494 1.00 0.00 O ATOM 0 H SER A 13 -13.145 0.296 1.660 1.00 0.00 H new ATOM 0 HA SER A 13 -15.367 -0.045 3.554 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.814 -0.298 4.001 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.743 1.452 3.961 1.00 0.00 H new ATOM 0 HG SER A 13 -13.121 0.638 6.113 1.00 0.00 H new ATOM 223 N ALA A 14 -14.450 2.938 2.459 1.00 0.00 N ATOM 224 CA ALA A 14 -14.928 4.347 2.336 1.00 0.00 C ATOM 225 C ALA A 14 -13.809 5.192 1.717 1.00 0.00 C ATOM 226 O ALA A 14 -14.039 6.002 0.841 1.00 0.00 O ATOM 227 CB ALA A 14 -15.289 4.895 3.727 1.00 0.00 C ATOM 0 H ALA A 14 -13.560 2.744 2.001 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.814 4.386 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.637 5.924 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.077 4.283 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.408 4.867 4.369 1.00 0.00 H new ATOM 233 N SER A 15 -12.600 5.006 2.170 1.00 0.00 N ATOM 234 CA SER A 15 -11.462 5.790 1.616 1.00 0.00 C ATOM 235 C SER A 15 -10.147 5.176 2.097 1.00 0.00 C ATOM 236 O SER A 15 -9.162 5.862 2.284 1.00 0.00 O ATOM 237 CB SER A 15 -11.556 7.239 2.098 1.00 0.00 C ATOM 238 OG SER A 15 -12.648 7.879 1.451 1.00 0.00 O ATOM 0 H SER A 15 -12.351 4.342 2.903 1.00 0.00 H new ATOM 0 HA SER A 15 -11.499 5.769 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.692 7.267 3.179 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.628 7.768 1.880 1.00 0.00 H new ATOM 0 HG SER A 15 -13.068 7.254 0.824 1.00 0.00 H new ATOM 244 N LEU A 16 -10.128 3.881 2.302 1.00 0.00 N ATOM 245 CA LEU A 16 -8.884 3.199 2.777 1.00 0.00 C ATOM 246 C LEU A 16 -8.683 1.907 1.983 1.00 0.00 C ATOM 247 O LEU A 16 -9.463 0.979 2.086 1.00 0.00 O ATOM 248 CB LEU A 16 -9.027 2.851 4.263 1.00 0.00 C ATOM 249 CG LEU A 16 -8.981 4.132 5.121 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.671 3.875 6.464 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.525 4.546 5.383 1.00 0.00 C ATOM 0 H LEU A 16 -10.927 3.263 2.159 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.030 3.862 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.967 2.326 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.226 2.175 4.564 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.493 4.930 4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.638 4.781 7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.709 3.592 6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.158 3.069 6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.508 5.451 5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.009 3.745 5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.024 4.736 4.434 1.00 0.00 H new ATOM 263 N CYS A 17 -7.638 1.831 1.201 1.00 0.00 N ATOM 264 CA CYS A 17 -7.377 0.595 0.408 1.00 0.00 C ATOM 265 C CYS A 17 -6.375 -0.270 1.168 1.00 0.00 C ATOM 266 O CYS A 17 -5.553 0.233 1.903 1.00 0.00 O ATOM 267 CB CYS A 17 -6.791 0.977 -0.954 1.00 0.00 C ATOM 268 SG CYS A 17 -8.110 1.601 -2.025 1.00 0.00 S ATOM 0 H CYS A 17 -6.952 2.575 1.078 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.306 0.045 0.257 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.019 1.736 -0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.315 0.111 -1.413 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.661 1.727 -3.238 1.00 0.00 H new ATOM 274 N ARG A 18 -6.435 -1.565 1.001 1.00 0.00 N ATOM 275 CA ARG A 18 -5.478 -2.470 1.714 1.00 0.00 C ATOM 276 C ARG A 18 -4.475 -3.024 0.706 1.00 0.00 C ATOM 277 O ARG A 18 -4.815 -3.300 -0.428 1.00 0.00 O ATOM 278 CB ARG A 18 -6.250 -3.625 2.355 1.00 0.00 C ATOM 279 CG ARG A 18 -7.233 -3.072 3.389 1.00 0.00 C ATOM 280 CD ARG A 18 -7.742 -4.213 4.272 1.00 0.00 C ATOM 281 NE ARG A 18 -8.822 -3.706 5.165 1.00 0.00 N ATOM 282 CZ ARG A 18 -10.036 -3.567 4.707 1.00 0.00 C ATOM 283 NH1 ARG A 18 -10.306 -3.872 3.468 1.00 0.00 N ATOM 284 NH2 ARG A 18 -10.981 -3.123 5.491 1.00 0.00 N ATOM 0 H ARG A 18 -7.108 -2.039 0.399 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.952 -1.914 2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.788 -4.185 1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.557 -4.319 2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.745 -2.314 4.002 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.069 -2.586 2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.120 -5.026 3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.924 -4.619 4.867 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.612 -3.468 6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.568 -4.220 2.856 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.255 -3.763 3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.770 -2.885 6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.930 -3.014 5.134 1.00 0.00 H new ATOM 298 N VAL A 19 -3.238 -3.183 1.103 1.00 0.00 N ATOM 299 CA VAL A 19 -2.205 -3.713 0.156 1.00 0.00 C ATOM 300 C VAL A 19 -1.272 -4.684 0.877 1.00 0.00 C ATOM 301 O VAL A 19 -0.814 -4.428 1.973 1.00 0.00 O ATOM 302 CB VAL A 19 -1.372 -2.554 -0.394 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.294 -1.501 -1.010 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.563 -1.921 0.741 1.00 0.00 C ATOM 0 H VAL A 19 -2.897 -2.970 2.040 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.713 -4.232 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.694 -2.931 -1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.696 -0.677 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.868 -1.949 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.977 -1.125 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.030 -1.095 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.242 -1.548 1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.100 -2.669 1.177 1.00 0.00 H new ATOM 314 N VAL A 20 -0.963 -5.788 0.248 1.00 0.00 N ATOM 315 CA VAL A 20 -0.030 -6.778 0.861 1.00 0.00 C ATOM 316 C VAL A 20 1.342 -6.602 0.211 1.00 0.00 C ATOM 317 O VAL A 20 1.511 -6.840 -0.969 1.00 0.00 O ATOM 318 CB VAL A 20 -0.541 -8.197 0.604 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.229 -9.184 1.484 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.032 -8.270 0.942 1.00 0.00 C ATOM 0 H VAL A 20 -1.320 -6.048 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 20 0.036 -6.618 1.937 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.392 -8.453 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.135 -10.195 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.291 -9.132 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.080 -8.929 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.397 -9.281 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.180 -8.015 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.582 -7.567 0.316 1.00 0.00 H new ATOM 330 N LEU A 21 2.322 -6.172 0.960 1.00 0.00 N ATOM 331 CA LEU A 21 3.681 -5.960 0.371 1.00 0.00 C ATOM 332 C LEU A 21 4.554 -7.191 0.620 1.00 0.00 C ATOM 333 O LEU A 21 4.753 -7.611 1.743 1.00 0.00 O ATOM 334 CB LEU A 21 4.330 -4.740 1.030 1.00 0.00 C ATOM 335 CG LEU A 21 3.305 -3.611 1.137 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.984 -2.359 1.697 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.733 -3.306 -0.252 1.00 0.00 C ATOM 0 H LEU A 21 2.243 -5.958 1.954 1.00 0.00 H new ATOM 0 HA LEU A 21 3.587 -5.797 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.701 -5.003 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.189 -4.411 0.445 1.00 0.00 H new ATOM 0 HG LEU A 21 2.497 -3.915 1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.254 -1.553 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.390 -2.576 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.792 -2.055 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.002 -2.501 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.540 -3.002 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.250 -4.198 -0.650 1.00 0.00 H new ATOM 349 N GLN A 22 5.078 -7.771 -0.431 1.00 0.00 N ATOM 350 CA GLN A 22 5.945 -8.978 -0.286 1.00 0.00 C ATOM 351 C GLN A 22 7.413 -8.567 -0.408 1.00 0.00 C ATOM 352 O GLN A 22 7.747 -7.606 -1.076 1.00 0.00 O ATOM 353 CB GLN A 22 5.604 -9.979 -1.393 1.00 0.00 C ATOM 354 CG GLN A 22 6.590 -11.149 -1.354 1.00 0.00 C ATOM 355 CD GLN A 22 6.068 -12.288 -2.232 1.00 0.00 C ATOM 356 OE1 GLN A 22 6.492 -12.446 -3.359 1.00 0.00 O ATOM 357 NE2 GLN A 22 5.157 -13.094 -1.758 1.00 0.00 N ATOM 0 H GLN A 22 4.940 -7.456 -1.391 1.00 0.00 H new ATOM 0 HA GLN A 22 5.776 -9.436 0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.585 -10.345 -1.264 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.646 -9.488 -2.365 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.569 -10.825 -1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.718 -11.496 -0.329 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.801 -12.961 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.801 -13.857 -2.334 1.00 0.00 H new ATOM 366 N SER A 23 8.296 -9.286 0.237 1.00 0.00 N ATOM 367 CA SER A 23 9.750 -8.945 0.167 1.00 0.00 C ATOM 368 C SER A 23 10.576 -10.233 0.132 1.00 0.00 C ATOM 369 O SER A 23 10.837 -10.843 1.150 1.00 0.00 O ATOM 370 CB SER A 23 10.138 -8.127 1.400 1.00 0.00 C ATOM 371 OG SER A 23 11.555 -8.027 1.469 1.00 0.00 O ATOM 0 H SER A 23 8.072 -10.098 0.812 1.00 0.00 H new ATOM 0 HA SER A 23 9.945 -8.364 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.694 -7.133 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.751 -8.601 2.302 1.00 0.00 H new ATOM 0 HG SER A 23 11.808 -7.502 2.257 1.00 0.00 H new ATOM 377 N GLY A 24 10.991 -10.649 -1.034 1.00 0.00 N ATOM 378 CA GLY A 24 11.802 -11.896 -1.135 1.00 0.00 C ATOM 379 C GLY A 24 10.910 -13.112 -0.880 1.00 0.00 C ATOM 380 O GLY A 24 10.782 -13.986 -1.714 1.00 0.00 O ATOM 0 H GLY A 24 10.804 -10.180 -1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.256 -11.967 -2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.616 -11.872 -0.411 1.00 0.00 H new ATOM 384 N ALA A 25 10.291 -13.174 0.267 1.00 0.00 N ATOM 385 CA ALA A 25 9.409 -14.335 0.576 1.00 0.00 C ATOM 386 C ALA A 25 8.443 -13.958 1.702 1.00 0.00 C ATOM 387 O ALA A 25 7.313 -14.404 1.739 1.00 0.00 O ATOM 388 CB ALA A 25 10.265 -15.525 1.016 1.00 0.00 C ATOM 0 H ALA A 25 10.358 -12.471 1.003 1.00 0.00 H new ATOM 0 HA ALA A 25 8.841 -14.605 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.619 -16.374 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.952 -15.795 0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.834 -15.255 1.906 1.00 0.00 H new ATOM 394 N LEU A 26 8.877 -13.141 2.622 1.00 0.00 N ATOM 395 CA LEU A 26 7.981 -12.738 3.742 1.00 0.00 C ATOM 396 C LEU A 26 6.798 -11.947 3.179 1.00 0.00 C ATOM 397 O LEU A 26 6.767 -11.604 2.014 1.00 0.00 O ATOM 398 CB LEU A 26 8.761 -11.865 4.733 1.00 0.00 C ATOM 399 CG LEU A 26 9.642 -12.749 5.622 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.622 -13.544 4.753 1.00 0.00 C ATOM 401 CD2 LEU A 26 10.423 -11.865 6.598 1.00 0.00 C ATOM 0 H LEU A 26 9.813 -12.735 2.646 1.00 0.00 H new ATOM 0 HA LEU A 26 7.614 -13.626 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.378 -11.148 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.069 -11.290 5.348 1.00 0.00 H new ATOM 0 HG LEU A 26 9.014 -13.444 6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.246 -14.171 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.065 -14.173 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.253 -12.854 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.051 -12.490 7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.050 -11.171 6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.725 -11.304 7.219 1.00 0.00 H new ATOM 413 N GLU A 27 5.823 -11.653 3.999 1.00 0.00 N ATOM 414 CA GLU A 27 4.637 -10.882 3.517 1.00 0.00 C ATOM 415 C GLU A 27 4.164 -9.936 4.621 1.00 0.00 C ATOM 416 O GLU A 27 4.309 -10.217 5.794 1.00 0.00 O ATOM 417 CB GLU A 27 3.508 -11.852 3.157 1.00 0.00 C ATOM 418 CG GLU A 27 4.073 -13.013 2.337 1.00 0.00 C ATOM 419 CD GLU A 27 2.926 -13.895 1.843 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.898 -13.920 2.500 1.00 0.00 O ATOM 421 OE2 GLU A 27 3.094 -14.531 0.815 1.00 0.00 O ATOM 0 H GLU A 27 5.796 -11.914 4.985 1.00 0.00 H new ATOM 0 HA GLU A 27 4.913 -10.304 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.036 -12.230 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.736 -11.333 2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.642 -12.630 1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.761 -13.600 2.945 1.00 0.00 H new ATOM 428 N MET A 28 3.601 -8.813 4.256 1.00 0.00 N ATOM 429 CA MET A 28 3.119 -7.843 5.286 1.00 0.00 C ATOM 430 C MET A 28 1.835 -7.175 4.794 1.00 0.00 C ATOM 431 O MET A 28 1.652 -6.953 3.613 1.00 0.00 O ATOM 432 CB MET A 28 4.192 -6.775 5.514 1.00 0.00 C ATOM 433 CG MET A 28 5.547 -7.449 5.730 1.00 0.00 C ATOM 434 SD MET A 28 6.749 -6.219 6.295 1.00 0.00 S ATOM 435 CE MET A 28 8.039 -7.381 6.806 1.00 0.00 C ATOM 0 H MET A 28 3.454 -8.525 3.289 1.00 0.00 H new ATOM 0 HA MET A 28 2.920 -8.369 6.220 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.240 -6.104 4.656 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.935 -6.166 6.381 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.455 -8.248 6.466 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.889 -7.908 4.802 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.894 -6.828 7.195 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.649 -8.039 7.582 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.353 -7.977 5.949 1.00 0.00 H new ATOM 445 N ILE A 29 0.946 -6.843 5.699 1.00 0.00 N ATOM 446 CA ILE A 29 -0.337 -6.174 5.312 1.00 0.00 C ATOM 447 C ILE A 29 -0.307 -4.742 5.837 1.00 0.00 C ATOM 448 O ILE A 29 0.217 -4.477 6.900 1.00 0.00 O ATOM 449 CB ILE A 29 -1.517 -6.923 5.942 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.641 -8.308 5.304 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.809 -6.134 5.703 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.657 -9.144 6.084 1.00 0.00 C ATOM 0 H ILE A 29 1.056 -7.009 6.699 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.451 -6.178 4.228 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.349 -7.030 7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.954 -8.214 4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.671 -8.806 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.648 -6.666 6.151 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.722 -5.147 6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.977 -6.027 4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.744 -10.130 5.628 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.325 -9.250 7.117 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.628 -8.649 6.064 1.00 0.00 H new ATOM 464 N ALA A 30 -0.853 -3.807 5.105 1.00 0.00 N ATOM 465 CA ALA A 30 -0.832 -2.393 5.579 1.00 0.00 C ATOM 466 C ALA A 30 -2.083 -1.653 5.105 1.00 0.00 C ATOM 467 O ALA A 30 -2.550 -1.843 4.001 1.00 0.00 O ATOM 468 CB ALA A 30 0.414 -1.700 5.022 1.00 0.00 C ATOM 0 H ALA A 30 -1.309 -3.960 4.206 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.812 -2.381 6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.438 -0.665 5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.306 -2.219 5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.386 -1.722 3.933 1.00 0.00 H new ATOM 474 N GLU A 31 -2.616 -0.794 5.935 1.00 0.00 N ATOM 475 CA GLU A 31 -3.824 -0.017 5.536 1.00 0.00 C ATOM 476 C GLU A 31 -3.359 1.228 4.777 1.00 0.00 C ATOM 477 O GLU A 31 -2.534 1.983 5.252 1.00 0.00 O ATOM 478 CB GLU A 31 -4.606 0.393 6.786 1.00 0.00 C ATOM 479 CG GLU A 31 -5.439 -0.790 7.286 1.00 0.00 C ATOM 480 CD GLU A 31 -4.532 -2.005 7.493 1.00 0.00 C ATOM 481 OE1 GLU A 31 -4.134 -2.598 6.504 1.00 0.00 O ATOM 482 OE2 GLU A 31 -4.250 -2.321 8.638 1.00 0.00 O ATOM 0 H GLU A 31 -2.265 -0.598 6.873 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.474 -0.620 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.918 0.721 7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.256 1.238 6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.934 -0.530 8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.222 -1.027 6.566 1.00 0.00 H new ATOM 489 N ILE A 32 -3.861 1.426 3.585 1.00 0.00 N ATOM 490 CA ILE A 32 -3.439 2.598 2.751 1.00 0.00 C ATOM 491 C ILE A 32 -4.598 3.592 2.612 1.00 0.00 C ATOM 492 O ILE A 32 -5.755 3.222 2.574 1.00 0.00 O ATOM 493 CB ILE A 32 -3.007 2.064 1.363 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.525 1.650 1.393 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.199 3.128 0.275 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.232 0.768 2.610 1.00 0.00 C ATOM 0 H ILE A 32 -4.554 0.819 3.147 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.608 3.122 3.223 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.633 1.202 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.275 1.111 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.895 2.539 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.887 2.724 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.250 3.413 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.596 4.005 0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.179 0.487 2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.461 1.319 3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.847 -0.131 2.564 1.00 0.00 H new ATOM 508 N GLU A 33 -4.270 4.857 2.522 1.00 0.00 N ATOM 509 CA GLU A 33 -5.306 5.923 2.367 1.00 0.00 C ATOM 510 C GLU A 33 -5.007 6.706 1.085 1.00 0.00 C ATOM 511 O GLU A 33 -4.006 7.387 0.987 1.00 0.00 O ATOM 512 CB GLU A 33 -5.233 6.871 3.568 1.00 0.00 C ATOM 513 CG GLU A 33 -6.498 7.730 3.622 1.00 0.00 C ATOM 514 CD GLU A 33 -6.443 8.641 4.850 1.00 0.00 C ATOM 515 OE1 GLU A 33 -5.352 8.874 5.343 1.00 0.00 O ATOM 516 OE2 GLU A 33 -7.495 9.091 5.276 1.00 0.00 O ATOM 0 H GLU A 33 -3.310 5.201 2.550 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.301 5.480 2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.130 6.299 4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.352 7.508 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.583 8.329 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.381 7.093 3.667 1.00 0.00 H new ATOM 523 N ALA A 34 -5.855 6.610 0.095 1.00 0.00 N ATOM 524 CA ALA A 34 -5.595 7.345 -1.180 1.00 0.00 C ATOM 525 C ALA A 34 -6.918 7.714 -1.850 1.00 0.00 C ATOM 526 O ALA A 34 -7.974 7.640 -1.255 1.00 0.00 O ATOM 527 CB ALA A 34 -4.790 6.449 -2.125 1.00 0.00 C ATOM 0 H ALA A 34 -6.712 6.058 0.112 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.036 8.254 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.598 6.982 -3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.842 6.185 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.356 5.542 -2.336 1.00 0.00 H new ATOM 533 N CYS A 35 -6.861 8.113 -3.093 1.00 0.00 N ATOM 534 CA CYS A 35 -8.102 8.491 -3.827 1.00 0.00 C ATOM 535 C CYS A 35 -7.914 8.191 -5.313 1.00 0.00 C ATOM 536 O CYS A 35 -8.855 8.180 -6.080 1.00 0.00 O ATOM 537 CB CYS A 35 -8.370 9.984 -3.638 1.00 0.00 C ATOM 538 SG CYS A 35 -6.830 10.908 -3.858 1.00 0.00 S ATOM 0 H CYS A 35 -6.000 8.194 -3.635 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.947 7.921 -3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -9.116 10.324 -4.356 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.778 10.168 -2.644 1.00 0.00 H new ATOM 0 HG CYS A 35 -7.059 12.178 -3.699 1.00 0.00 H new ATOM 544 N ARG A 36 -6.700 7.943 -5.725 1.00 0.00 N ATOM 545 CA ARG A 36 -6.451 7.634 -7.159 1.00 0.00 C ATOM 546 C ARG A 36 -7.026 6.254 -7.473 1.00 0.00 C ATOM 547 O ARG A 36 -7.470 5.991 -8.573 1.00 0.00 O ATOM 548 CB ARG A 36 -4.943 7.634 -7.429 1.00 0.00 C ATOM 549 CG ARG A 36 -4.332 8.940 -6.921 1.00 0.00 C ATOM 550 CD ARG A 36 -2.815 8.906 -7.122 1.00 0.00 C ATOM 551 NE ARG A 36 -2.185 10.005 -6.339 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.186 11.224 -6.806 1.00 0.00 C ATOM 553 NH1 ARG A 36 -2.740 11.479 -7.960 1.00 0.00 N ATOM 554 NH2 ARG A 36 -1.634 12.187 -6.121 1.00 0.00 N ATOM 0 H ARG A 36 -5.872 7.941 -5.130 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.927 8.386 -7.788 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.474 6.784 -6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.754 7.523 -8.497 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.761 9.787 -7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.567 9.077 -5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.417 7.943 -6.802 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.575 9.015 -8.180 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.752 9.805 -5.437 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.172 10.726 -8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.741 12.431 -8.326 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.201 11.988 -5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.635 13.139 -6.487 1.00 0.00 H new ATOM 568 N LEU A 37 -7.025 5.375 -6.501 1.00 0.00 N ATOM 569 CA LEU A 37 -7.572 3.999 -6.708 1.00 0.00 C ATOM 570 C LEU A 37 -7.172 3.469 -8.088 1.00 0.00 C ATOM 571 O LEU A 37 -7.998 3.301 -8.963 1.00 0.00 O ATOM 572 CB LEU A 37 -9.095 4.041 -6.591 1.00 0.00 C ATOM 573 CG LEU A 37 -9.497 4.889 -5.380 1.00 0.00 C ATOM 574 CD1 LEU A 37 -11.007 4.778 -5.158 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.760 4.392 -4.130 1.00 0.00 C ATOM 0 H LEU A 37 -6.665 5.555 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.163 3.333 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.528 4.459 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.489 3.030 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.230 5.929 -5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.293 5.381 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.532 5.137 -6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.272 3.737 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.049 4.998 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.022 3.351 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.684 4.473 -4.285 1.00 0.00 H new ATOM 587 N ARG A 38 -5.908 3.206 -8.287 1.00 0.00 N ATOM 588 CA ARG A 38 -5.444 2.686 -9.609 1.00 0.00 C ATOM 589 C ARG A 38 -4.268 1.733 -9.391 1.00 0.00 C ATOM 590 O ARG A 38 -3.455 1.522 -10.269 1.00 0.00 O ATOM 591 CB ARG A 38 -4.995 3.856 -10.488 1.00 0.00 C ATOM 592 CG ARG A 38 -4.079 4.779 -9.681 1.00 0.00 C ATOM 593 CD ARG A 38 -3.529 5.877 -10.594 1.00 0.00 C ATOM 594 NE ARG A 38 -4.659 6.662 -11.163 1.00 0.00 N ATOM 595 CZ ARG A 38 -4.419 7.705 -11.911 1.00 0.00 C ATOM 596 NH1 ARG A 38 -3.188 8.059 -12.159 1.00 0.00 N ATOM 597 NH2 ARG A 38 -5.409 8.393 -12.409 1.00 0.00 N ATOM 0 H ARG A 38 -5.174 3.329 -7.590 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.260 2.155 -10.100 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.470 3.483 -11.367 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.863 4.410 -10.846 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.631 5.223 -8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.259 4.207 -9.248 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.864 6.532 -10.032 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.938 5.435 -11.397 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.621 6.385 -10.968 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.414 7.521 -11.769 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.999 8.874 -12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.371 8.116 -12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.221 9.208 -12.993 1.00 0.00 H new ATOM 611 N LEU A 39 -4.173 1.155 -8.225 1.00 0.00 N ATOM 612 CA LEU A 39 -3.052 0.216 -7.949 1.00 0.00 C ATOM 613 C LEU A 39 -3.272 -1.079 -8.735 1.00 0.00 C ATOM 614 O LEU A 39 -4.343 -1.329 -9.250 1.00 0.00 O ATOM 615 CB LEU A 39 -3.003 -0.092 -6.448 1.00 0.00 C ATOM 616 CG LEU A 39 -3.220 1.198 -5.653 1.00 0.00 C ATOM 617 CD1 LEU A 39 -3.080 0.906 -4.157 1.00 0.00 C ATOM 618 CD2 LEU A 39 -2.176 2.238 -6.070 1.00 0.00 C ATOM 0 H LEU A 39 -4.824 1.293 -7.452 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.109 0.669 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.770 -0.823 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.041 -0.534 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.219 1.585 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.235 1.825 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.824 0.167 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.082 0.518 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.331 3.156 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.177 1.852 -5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.276 2.447 -7.135 1.00 0.00 H new ATOM 630 N ARG A 40 -2.265 -1.905 -8.832 1.00 0.00 N ATOM 631 CA ARG A 40 -2.415 -3.184 -9.587 1.00 0.00 C ATOM 632 C ARG A 40 -1.442 -4.224 -9.030 1.00 0.00 C ATOM 633 O ARG A 40 -0.524 -3.902 -8.301 1.00 0.00 O ATOM 634 CB ARG A 40 -2.108 -2.942 -11.067 1.00 0.00 C ATOM 635 CG ARG A 40 -0.765 -2.219 -11.198 1.00 0.00 C ATOM 636 CD ARG A 40 -0.374 -2.133 -12.673 1.00 0.00 C ATOM 637 NE ARG A 40 0.885 -1.347 -12.809 1.00 0.00 N ATOM 638 CZ ARG A 40 1.203 -0.817 -13.958 1.00 0.00 C ATOM 639 NH1 ARG A 40 0.417 -0.973 -14.988 1.00 0.00 N ATOM 640 NH2 ARG A 40 2.306 -0.130 -14.077 1.00 0.00 N ATOM 0 H ARG A 40 -1.344 -1.750 -8.421 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.437 -3.549 -9.481 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.076 -3.891 -11.603 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.900 -2.346 -11.521 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.835 -1.219 -10.771 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.003 -2.752 -10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.236 -3.134 -13.083 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.173 -1.662 -13.245 1.00 0.00 H new ATOM 0 HE ARG A 40 1.498 -1.223 -12.003 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.446 -1.509 -14.895 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.665 -0.559 -15.886 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.920 -0.007 -13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.554 0.284 -14.975 1.00 0.00 H new ATOM 654 N GLU A 41 -1.634 -5.469 -9.367 1.00 0.00 N ATOM 655 CA GLU A 41 -0.722 -6.531 -8.858 1.00 0.00 C ATOM 656 C GLU A 41 0.618 -6.446 -9.589 1.00 0.00 C ATOM 657 O GLU A 41 0.683 -6.092 -10.750 1.00 0.00 O ATOM 658 CB GLU A 41 -1.351 -7.903 -9.106 1.00 0.00 C ATOM 659 CG GLU A 41 -2.617 -8.046 -8.259 1.00 0.00 C ATOM 660 CD GLU A 41 -3.700 -7.109 -8.796 1.00 0.00 C ATOM 661 OE1 GLU A 41 -4.286 -7.435 -9.814 1.00 0.00 O ATOM 662 OE2 GLU A 41 -3.924 -6.080 -8.179 1.00 0.00 O ATOM 0 H GLU A 41 -2.385 -5.797 -9.974 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.562 -6.391 -7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.593 -8.018 -10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.641 -8.691 -8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.969 -9.077 -8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.399 -7.808 -7.218 1.00 0.00 H new ATOM 669 N GLY A 42 1.691 -6.768 -8.920 1.00 0.00 N ATOM 670 CA GLY A 42 3.028 -6.709 -9.576 1.00 0.00 C ATOM 671 C GLY A 42 3.527 -5.264 -9.597 1.00 0.00 C ATOM 672 O GLY A 42 4.499 -4.943 -10.250 1.00 0.00 O ATOM 0 H GLY A 42 1.700 -7.070 -7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.736 -7.341 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.963 -7.096 -10.593 1.00 0.00 H new ATOM 676 N ASP A 43 2.872 -4.387 -8.885 1.00 0.00 N ATOM 677 CA ASP A 43 3.315 -2.965 -8.867 1.00 0.00 C ATOM 678 C ASP A 43 4.641 -2.856 -8.111 1.00 0.00 C ATOM 679 O ASP A 43 4.805 -3.410 -7.038 1.00 0.00 O ATOM 680 CB ASP A 43 2.256 -2.106 -8.168 1.00 0.00 C ATOM 681 CG ASP A 43 2.505 -0.629 -8.485 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.554 -0.328 -9.031 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.642 0.176 -8.177 1.00 0.00 O ATOM 0 H ASP A 43 2.051 -4.594 -8.316 1.00 0.00 H new ATOM 0 HA ASP A 43 3.448 -2.613 -9.890 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.259 -2.397 -8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.293 -2.269 -7.091 1.00 0.00 H new ATOM 688 N LYS A 44 5.589 -2.143 -8.664 1.00 0.00 N ATOM 689 CA LYS A 44 6.913 -1.987 -7.991 1.00 0.00 C ATOM 690 C LYS A 44 6.902 -0.719 -7.135 1.00 0.00 C ATOM 691 O LYS A 44 6.710 0.376 -7.632 1.00 0.00 O ATOM 692 CB LYS A 44 8.011 -1.875 -9.051 1.00 0.00 C ATOM 693 CG LYS A 44 7.892 -3.041 -10.035 1.00 0.00 C ATOM 694 CD LYS A 44 8.976 -2.916 -11.108 1.00 0.00 C ATOM 695 CE LYS A 44 8.767 -3.995 -12.172 1.00 0.00 C ATOM 696 NZ LYS A 44 7.532 -3.693 -12.950 1.00 0.00 N ATOM 0 H LYS A 44 5.502 -1.660 -9.558 1.00 0.00 H new ATOM 0 HA LYS A 44 7.104 -2.853 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.923 -0.927 -9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.992 -1.885 -8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.996 -3.989 -9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.905 -3.041 -10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.938 -1.927 -11.565 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.963 -3.021 -10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.629 -4.035 -12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.682 -4.974 -11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.570 -4.185 -13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.699 -4.016 -12.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.465 -2.668 -13.110 1.00 0.00 H new ATOM 710 N LEU A 45 7.107 -0.861 -5.849 1.00 0.00 N ATOM 711 CA LEU A 45 7.113 0.323 -4.934 1.00 0.00 C ATOM 712 C LEU A 45 8.549 0.618 -4.490 1.00 0.00 C ATOM 713 O LEU A 45 9.327 -0.283 -4.242 1.00 0.00 O ATOM 714 CB LEU A 45 6.260 0.020 -3.698 1.00 0.00 C ATOM 715 CG LEU A 45 4.938 -0.626 -4.124 1.00 0.00 C ATOM 716 CD1 LEU A 45 4.101 -0.933 -2.880 1.00 0.00 C ATOM 717 CD2 LEU A 45 4.166 0.336 -5.033 1.00 0.00 C ATOM 0 H LEU A 45 7.272 -1.756 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 45 6.705 1.186 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.801 -0.647 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.065 0.939 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 45 5.142 -1.550 -4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.159 -1.393 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.649 -1.617 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.898 -0.008 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.226 -0.125 -5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.960 1.260 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.762 0.558 -5.918 1.00 0.00 H new ATOM 729 N THR A 46 8.901 1.876 -4.385 1.00 0.00 N ATOM 730 CA THR A 46 10.285 2.256 -3.952 1.00 0.00 C ATOM 731 C THR A 46 10.182 3.311 -2.841 1.00 0.00 C ATOM 732 O THR A 46 9.212 4.038 -2.766 1.00 0.00 O ATOM 733 CB THR A 46 11.054 2.845 -5.148 1.00 0.00 C ATOM 734 OG1 THR A 46 11.959 3.838 -4.689 1.00 0.00 O ATOM 735 CG2 THR A 46 10.072 3.477 -6.137 1.00 0.00 C ATOM 0 H THR A 46 8.284 2.664 -4.582 1.00 0.00 H new ATOM 0 HA THR A 46 10.813 1.377 -3.583 1.00 0.00 H new ATOM 0 HB THR A 46 11.605 2.047 -5.645 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.449 4.211 -5.451 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.622 3.892 -6.981 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.377 2.718 -6.495 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.516 4.272 -5.640 1.00 0.00 H new ATOM 743 N PRO A 47 11.169 3.398 -1.980 1.00 0.00 N ATOM 744 CA PRO A 47 11.167 4.387 -0.858 1.00 0.00 C ATOM 745 C PRO A 47 11.324 5.828 -1.363 1.00 0.00 C ATOM 746 O PRO A 47 12.277 6.158 -2.041 1.00 0.00 O ATOM 747 CB PRO A 47 12.372 3.965 -0.001 1.00 0.00 C ATOM 748 CG PRO A 47 13.292 3.269 -0.951 1.00 0.00 C ATOM 749 CD PRO A 47 12.392 2.571 -1.972 1.00 0.00 C ATOM 0 HA PRO A 47 10.227 4.384 -0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.855 4.829 0.455 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.068 3.304 0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.959 3.979 -1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.921 2.549 -0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.857 2.534 -2.957 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.179 1.542 -1.681 1.00 0.00 H new ATOM 757 N LEU A 48 10.396 6.685 -1.035 1.00 0.00 N ATOM 758 CA LEU A 48 10.491 8.099 -1.494 1.00 0.00 C ATOM 759 C LEU A 48 11.517 8.840 -0.632 1.00 0.00 C ATOM 760 O LEU A 48 12.542 9.280 -1.113 1.00 0.00 O ATOM 761 CB LEU A 48 9.118 8.769 -1.359 1.00 0.00 C ATOM 762 CG LEU A 48 9.174 10.216 -1.874 1.00 0.00 C ATOM 763 CD1 LEU A 48 9.515 10.236 -3.375 1.00 0.00 C ATOM 764 CD2 LEU A 48 7.809 10.877 -1.645 1.00 0.00 C ATOM 0 H LEU A 48 9.576 6.467 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 48 10.805 8.130 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.374 8.205 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.803 8.760 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 48 9.948 10.762 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.551 11.267 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.485 9.764 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.751 9.691 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.837 11.905 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.041 10.323 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.577 10.874 -0.580 1.00 0.00 H new ATOM 776 N ALA A 49 11.248 8.983 0.637 1.00 0.00 N ATOM 777 CA ALA A 49 12.210 9.697 1.524 1.00 0.00 C ATOM 778 C ALA A 49 11.764 9.564 2.981 1.00 0.00 C ATOM 779 O ALA A 49 12.401 8.905 3.778 1.00 0.00 O ATOM 780 CB ALA A 49 12.255 11.177 1.138 1.00 0.00 C ATOM 0 H ALA A 49 10.406 8.637 1.097 1.00 0.00 H new ATOM 0 HA ALA A 49 13.201 9.259 1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.958 11.701 1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.576 11.273 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.263 11.613 1.252 1.00 0.00 H new ATOM 786 N ASP A 50 10.674 10.188 3.339 1.00 0.00 N ATOM 787 CA ASP A 50 10.192 10.100 4.747 1.00 0.00 C ATOM 788 C ASP A 50 9.515 8.747 4.976 1.00 0.00 C ATOM 789 O ASP A 50 9.769 8.075 5.954 1.00 0.00 O ATOM 790 CB ASP A 50 9.190 11.225 5.012 1.00 0.00 C ATOM 791 CG ASP A 50 8.723 11.161 6.468 1.00 0.00 C ATOM 792 OD1 ASP A 50 9.415 10.551 7.266 1.00 0.00 O ATOM 793 OD2 ASP A 50 7.682 11.726 6.760 1.00 0.00 O ATOM 0 H ASP A 50 10.097 10.755 2.717 1.00 0.00 H new ATOM 0 HA ASP A 50 11.039 10.198 5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.651 12.192 4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.336 11.131 4.341 1.00 0.00 H new ATOM 798 N ALA A 51 8.656 8.342 4.079 1.00 0.00 N ATOM 799 CA ALA A 51 7.964 7.032 4.246 1.00 0.00 C ATOM 800 C ALA A 51 7.044 6.785 3.048 1.00 0.00 C ATOM 801 O ALA A 51 6.795 5.659 2.666 1.00 0.00 O ATOM 802 CB ALA A 51 7.132 7.052 5.533 1.00 0.00 C ATOM 0 H ALA A 51 8.404 8.862 3.238 1.00 0.00 H new ATOM 0 HA ALA A 51 8.706 6.235 4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.626 6.094 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.787 7.228 6.387 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.390 7.849 5.475 1.00 0.00 H new ATOM 808 N ARG A 52 6.534 7.830 2.454 1.00 0.00 N ATOM 809 CA ARG A 52 5.630 7.650 1.284 1.00 0.00 C ATOM 810 C ARG A 52 6.280 6.701 0.277 1.00 0.00 C ATOM 811 O ARG A 52 7.475 6.735 0.060 1.00 0.00 O ATOM 812 CB ARG A 52 5.377 9.004 0.617 1.00 0.00 C ATOM 813 CG ARG A 52 4.464 9.853 1.506 1.00 0.00 C ATOM 814 CD ARG A 52 4.042 11.114 0.751 1.00 0.00 C ATOM 815 NE ARG A 52 5.207 12.036 0.630 1.00 0.00 N ATOM 816 CZ ARG A 52 5.017 13.290 0.322 1.00 0.00 C ATOM 817 NH1 ARG A 52 3.808 13.736 0.120 1.00 0.00 N ATOM 818 NH2 ARG A 52 6.037 14.097 0.217 1.00 0.00 N ATOM 0 H ARG A 52 6.704 8.798 2.728 1.00 0.00 H new ATOM 0 HA ARG A 52 4.683 7.229 1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.322 9.521 0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.917 8.859 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.584 9.278 1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.984 10.124 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.669 10.850 -0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.226 11.609 1.277 1.00 0.00 H new ATOM 0 HE ARG A 52 6.152 11.687 0.788 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.011 13.105 0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.660 14.716 -0.121 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.982 13.748 0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.889 15.077 -0.024 1.00 0.00 H new ATOM 832 N TYR A 53 5.496 5.853 -0.340 1.00 0.00 N ATOM 833 CA TYR A 53 6.050 4.888 -1.341 1.00 0.00 C ATOM 834 C TYR A 53 5.686 5.362 -2.750 1.00 0.00 C ATOM 835 O TYR A 53 4.560 5.729 -3.015 1.00 0.00 O ATOM 836 CB TYR A 53 5.439 3.505 -1.097 1.00 0.00 C ATOM 837 CG TYR A 53 6.090 2.867 0.110 1.00 0.00 C ATOM 838 CD1 TYR A 53 5.729 3.280 1.398 1.00 0.00 C ATOM 839 CD2 TYR A 53 7.054 1.865 -0.059 1.00 0.00 C ATOM 840 CE1 TYR A 53 6.331 2.690 2.517 1.00 0.00 C ATOM 841 CE2 TYR A 53 7.655 1.276 1.060 1.00 0.00 C ATOM 842 CZ TYR A 53 7.293 1.688 2.348 1.00 0.00 C ATOM 843 OH TYR A 53 7.886 1.107 3.450 1.00 0.00 O ATOM 0 H TYR A 53 4.489 5.787 -0.193 1.00 0.00 H new ATOM 0 HA TYR A 53 7.134 4.833 -1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.364 3.594 -0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.580 2.874 -1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.987 4.053 1.529 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.334 1.547 -1.052 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.052 3.009 3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.398 0.503 0.929 1.00 0.00 H new ATOM 0 HH TYR A 53 8.530 0.429 3.156 1.00 0.00 H new ATOM 853 N CYS A 54 6.631 5.350 -3.657 1.00 0.00 N ATOM 854 CA CYS A 54 6.347 5.796 -5.059 1.00 0.00 C ATOM 855 C CYS A 54 6.253 4.568 -5.966 1.00 0.00 C ATOM 856 O CYS A 54 7.143 3.742 -6.003 1.00 0.00 O ATOM 857 CB CYS A 54 7.480 6.707 -5.542 1.00 0.00 C ATOM 858 SG CYS A 54 7.354 6.937 -7.334 1.00 0.00 S ATOM 0 H CYS A 54 7.591 5.050 -3.487 1.00 0.00 H new ATOM 0 HA CYS A 54 5.406 6.345 -5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.425 7.671 -5.037 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.445 6.269 -5.289 1.00 0.00 H new ATOM 0 HG CYS A 54 8.315 7.712 -7.741 1.00 0.00 H new ATOM 864 N LEU A 55 5.174 4.440 -6.695 1.00 0.00 N ATOM 865 CA LEU A 55 5.005 3.264 -7.605 1.00 0.00 C ATOM 866 C LEU A 55 5.337 3.677 -9.039 1.00 0.00 C ATOM 867 O LEU A 55 5.114 4.802 -9.437 1.00 0.00 O ATOM 868 CB LEU A 55 3.550 2.769 -7.530 1.00 0.00 C ATOM 869 CG LEU A 55 2.559 3.924 -7.849 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.093 3.848 -9.308 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.329 3.830 -6.934 1.00 0.00 C ATOM 0 H LEU A 55 4.398 5.102 -6.700 1.00 0.00 H new ATOM 0 HA LEU A 55 5.677 2.462 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.402 1.951 -8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.346 2.373 -6.535 1.00 0.00 H new ATOM 0 HG LEU A 55 3.076 4.869 -7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.400 4.665 -9.512 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.955 3.930 -9.970 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.592 2.896 -9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.641 4.643 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.829 2.875 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.643 3.905 -5.893 1.00 0.00 H new ATOM 883 N ASN A 56 5.872 2.774 -9.815 1.00 0.00 N ATOM 884 CA ASN A 56 6.224 3.107 -11.227 1.00 0.00 C ATOM 885 C ASN A 56 7.246 4.248 -11.248 1.00 0.00 C ATOM 886 O ASN A 56 7.529 4.820 -12.281 1.00 0.00 O ATOM 887 CB ASN A 56 4.962 3.529 -11.988 1.00 0.00 C ATOM 888 CG ASN A 56 5.221 3.453 -13.495 1.00 0.00 C ATOM 889 OD1 ASN A 56 6.442 3.306 -13.929 1.00 0.00 O flip ATOM 890 ND2 ASN A 56 4.301 3.528 -14.285 1.00 0.00 N flip ATOM 0 H ASN A 56 6.081 1.817 -9.532 1.00 0.00 H new ATOM 0 HA ASN A 56 6.656 2.229 -11.707 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.129 2.880 -11.719 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.679 4.544 -11.708 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.346 3.643 -13.946 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.484 3.476 -15.287 1.00 0.00 H new ATOM 897 N ASN A 57 7.804 4.576 -10.114 1.00 0.00 N ATOM 898 CA ASN A 57 8.817 5.671 -10.059 1.00 0.00 C ATOM 899 C ASN A 57 8.185 7.002 -10.487 1.00 0.00 C ATOM 900 O ASN A 57 8.786 7.776 -11.205 1.00 0.00 O ATOM 901 CB ASN A 57 9.989 5.332 -10.989 1.00 0.00 C ATOM 902 CG ASN A 57 10.299 3.838 -10.893 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.569 3.019 -11.415 1.00 0.00 O ATOM 904 ND2 ASN A 57 11.361 3.445 -10.244 1.00 0.00 N ATOM 0 H ASN A 57 7.601 4.131 -9.219 1.00 0.00 H new ATOM 0 HA ASN A 57 9.179 5.768 -9.036 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.741 5.598 -12.017 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.867 5.915 -10.712 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.578 2.451 -10.175 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.974 4.132 -9.806 1.00 0.00 H new ATOM 911 N ASN A 58 6.982 7.274 -10.045 1.00 0.00 N ATOM 912 CA ASN A 58 6.296 8.555 -10.407 1.00 0.00 C ATOM 913 C ASN A 58 5.827 9.246 -9.113 1.00 0.00 C ATOM 914 O ASN A 58 4.747 8.973 -8.628 1.00 0.00 O ATOM 915 CB ASN A 58 5.082 8.241 -11.285 1.00 0.00 C ATOM 916 CG ASN A 58 5.471 7.215 -12.352 1.00 0.00 C ATOM 917 OD1 ASN A 58 6.638 6.992 -12.600 1.00 0.00 O ATOM 918 ND2 ASN A 58 4.532 6.579 -12.999 1.00 0.00 N ATOM 0 H ASN A 58 6.439 6.656 -9.442 1.00 0.00 H new ATOM 0 HA ASN A 58 6.979 9.208 -10.950 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.268 7.853 -10.672 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.718 9.153 -11.759 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.779 5.894 -13.713 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.552 6.767 -12.790 1.00 0.00 H new ATOM 925 N PRO A 59 6.629 10.120 -8.544 1.00 0.00 N ATOM 926 CA PRO A 59 6.270 10.829 -7.277 1.00 0.00 C ATOM 927 C PRO A 59 4.829 11.354 -7.281 1.00 0.00 C ATOM 928 O PRO A 59 4.305 11.763 -6.265 1.00 0.00 O ATOM 929 CB PRO A 59 7.277 11.982 -7.221 1.00 0.00 C ATOM 930 CG PRO A 59 8.486 11.454 -7.920 1.00 0.00 C ATOM 931 CD PRO A 59 7.961 10.537 -9.031 1.00 0.00 C ATOM 0 HA PRO A 59 6.315 10.168 -6.411 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.889 12.872 -7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.503 12.262 -6.192 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.084 12.266 -8.334 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.127 10.905 -7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.892 11.062 -9.984 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.617 9.680 -9.186 1.00 0.00 H new ATOM 939 N THR A 60 4.185 11.335 -8.413 1.00 0.00 N ATOM 940 CA THR A 60 2.777 11.822 -8.479 1.00 0.00 C ATOM 941 C THR A 60 1.852 10.746 -7.903 1.00 0.00 C ATOM 942 O THR A 60 0.880 11.036 -7.236 1.00 0.00 O ATOM 943 CB THR A 60 2.401 12.090 -9.942 1.00 0.00 C ATOM 944 OG1 THR A 60 0.999 11.924 -10.105 1.00 0.00 O ATOM 945 CG2 THR A 60 3.142 11.105 -10.852 1.00 0.00 C ATOM 0 H THR A 60 4.571 11.003 -9.297 1.00 0.00 H new ATOM 0 HA THR A 60 2.675 12.743 -7.904 1.00 0.00 H new ATOM 0 HB THR A 60 2.682 13.109 -10.209 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.756 12.096 -11.039 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.874 11.297 -11.891 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.217 11.231 -10.726 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.863 10.085 -10.588 1.00 0.00 H new ATOM 953 N GLN A 61 2.159 9.500 -8.158 1.00 0.00 N ATOM 954 CA GLN A 61 1.320 8.379 -7.631 1.00 0.00 C ATOM 955 C GLN A 61 1.976 7.817 -6.370 1.00 0.00 C ATOM 956 O GLN A 61 2.420 6.688 -6.348 1.00 0.00 O ATOM 957 CB GLN A 61 1.213 7.267 -8.681 1.00 0.00 C ATOM 958 CG GLN A 61 0.861 7.868 -10.046 1.00 0.00 C ATOM 959 CD GLN A 61 0.295 6.778 -10.960 1.00 0.00 C ATOM 960 OE1 GLN A 61 -0.591 5.943 -10.488 1.00 0.00 O flip ATOM 961 NE2 GLN A 61 0.662 6.686 -12.115 1.00 0.00 N flip ATOM 0 H GLN A 61 2.963 9.208 -8.714 1.00 0.00 H new ATOM 0 HA GLN A 61 0.322 8.752 -7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.156 6.724 -8.746 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.451 6.547 -8.384 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.132 8.669 -9.924 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.748 8.311 -10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.354 7.338 -12.484 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.278 5.957 -12.716 1.00 0.00 H new ATOM 970 N THR A 62 2.064 8.599 -5.325 1.00 0.00 N ATOM 971 CA THR A 62 2.723 8.102 -4.078 1.00 0.00 C ATOM 972 C THR A 62 1.666 7.551 -3.124 1.00 0.00 C ATOM 973 O THR A 62 0.572 8.070 -3.009 1.00 0.00 O ATOM 974 CB THR A 62 3.462 9.258 -3.400 1.00 0.00 C ATOM 975 OG1 THR A 62 2.612 10.394 -3.345 1.00 0.00 O ATOM 976 CG2 THR A 62 4.721 9.598 -4.197 1.00 0.00 C ATOM 0 H THR A 62 1.711 9.555 -5.280 1.00 0.00 H new ATOM 0 HA THR A 62 3.430 7.312 -4.332 1.00 0.00 H new ATOM 0 HB THR A 62 3.744 8.966 -2.388 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.083 11.135 -2.909 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.247 10.421 -3.713 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.373 8.725 -4.237 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.443 9.890 -5.210 1.00 0.00 H new ATOM 984 N LEU A 63 1.991 6.476 -2.456 1.00 0.00 N ATOM 985 CA LEU A 63 1.033 5.826 -1.513 1.00 0.00 C ATOM 986 C LEU A 63 1.427 6.162 -0.066 1.00 0.00 C ATOM 987 O LEU A 63 2.590 6.151 0.285 1.00 0.00 O ATOM 988 CB LEU A 63 1.111 4.304 -1.757 1.00 0.00 C ATOM 989 CG LEU A 63 -0.245 3.621 -1.522 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.301 4.131 -2.531 1.00 0.00 C ATOM 991 CD2 LEU A 63 -0.053 2.107 -1.690 1.00 0.00 C ATOM 0 H LEU A 63 2.897 6.012 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 63 0.016 6.182 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.441 4.116 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.858 3.867 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.602 3.853 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.253 3.633 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.426 5.208 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.970 3.912 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.004 1.599 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.304 1.895 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.677 1.750 -0.964 1.00 0.00 H new ATOM 1003 N LYS A 64 0.464 6.460 0.774 1.00 0.00 N ATOM 1004 CA LYS A 64 0.777 6.798 2.199 1.00 0.00 C ATOM 1005 C LYS A 64 0.498 5.585 3.088 1.00 0.00 C ATOM 1006 O LYS A 64 -0.507 4.917 2.944 1.00 0.00 O ATOM 1007 CB LYS A 64 -0.106 7.964 2.648 1.00 0.00 C ATOM 1008 CG LYS A 64 0.176 9.188 1.771 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.411 10.436 2.433 1.00 0.00 C ATOM 1010 CE LYS A 64 -0.431 11.586 1.423 1.00 0.00 C ATOM 1011 NZ LYS A 64 -0.870 12.837 2.104 1.00 0.00 N ATOM 0 H LYS A 64 -0.527 6.484 0.533 1.00 0.00 H new ATOM 0 HA LYS A 64 1.828 7.076 2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.158 7.686 2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.090 8.200 3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.250 9.309 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.261 9.048 0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.421 10.232 2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.183 10.713 3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.561 11.723 0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.107 11.350 0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.884 13.619 1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.824 12.703 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.209 13.063 2.874 1.00 0.00 H new ATOM 1025 N ILE A 65 1.378 5.295 4.011 1.00 0.00 N ATOM 1026 CA ILE A 65 1.159 4.125 4.915 1.00 0.00 C ATOM 1027 C ILE A 65 0.367 4.573 6.143 1.00 0.00 C ATOM 1028 O ILE A 65 0.602 5.630 6.693 1.00 0.00 O ATOM 1029 CB ILE A 65 2.507 3.555 5.370 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.421 4.694 5.832 1.00 0.00 C ATOM 1031 CG2 ILE A 65 3.169 2.809 4.213 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.710 4.112 6.418 1.00 0.00 C ATOM 0 H ILE A 65 2.238 5.817 4.178 1.00 0.00 H new ATOM 0 HA ILE A 65 0.605 3.357 4.375 1.00 0.00 H new ATOM 0 HB ILE A 65 2.341 2.865 6.198 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.654 5.350 4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.912 5.302 6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.127 2.405 4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.523 1.993 3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.330 3.496 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.359 4.924 6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.468 3.475 7.268 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.222 3.523 5.657 1.00 0.00 H new ATOM 1044 N ARG A 66 -0.564 3.766 6.582 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.379 4.116 7.787 1.00 0.00 C ATOM 1046 C ARG A 66 -0.984 3.186 8.935 1.00 0.00 C ATOM 1047 O ARG A 66 -1.068 3.542 10.092 1.00 0.00 O ATOM 1048 CB ARG A 66 -2.864 3.927 7.466 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.710 4.555 8.575 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.186 4.230 8.338 1.00 0.00 C ATOM 1051 NE ARG A 66 -6.004 4.798 9.445 1.00 0.00 N ATOM 1052 CZ ARG A 66 -6.010 4.219 10.615 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -5.301 3.141 10.813 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -6.726 4.717 11.585 1.00 0.00 N ATOM 0 H ARG A 66 -0.798 2.870 6.154 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.200 5.153 8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.101 4.389 6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.095 2.866 7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.395 4.175 9.547 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.563 5.635 8.592 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.511 4.642 7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.327 3.151 8.284 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.559 5.639 9.289 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.742 2.751 10.054 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.305 2.688 11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.281 5.559 11.429 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.731 4.265 12.499 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.545 1.997 8.613 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.134 1.031 9.672 1.00 0.00 C ATOM 1070 C ASN A 67 0.255 -0.299 9.015 1.00 0.00 C ATOM 1071 O ASN A 67 -0.592 -1.063 8.594 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.298 0.803 10.645 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.616 0.777 9.868 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -3.144 1.811 9.509 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.173 -0.370 9.591 1.00 0.00 N ATOM 0 H ASN A 67 -0.454 1.653 7.657 1.00 0.00 H new ATOM 0 HA ASN A 67 0.717 1.432 10.222 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.160 -0.137 11.179 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.321 1.595 11.394 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.051 -0.399 9.073 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.730 -1.238 9.892 1.00 0.00 H new ATOM 1082 N ALA A 68 1.530 -0.580 8.921 1.00 0.00 N ATOM 1083 CA ALA A 68 1.968 -1.859 8.291 1.00 0.00 C ATOM 1084 C ALA A 68 1.825 -3.007 9.293 1.00 0.00 C ATOM 1085 O ALA A 68 1.843 -2.807 10.490 1.00 0.00 O ATOM 1086 CB ALA A 68 3.431 -1.748 7.859 1.00 0.00 C ATOM 0 H ALA A 68 2.284 0.021 9.253 1.00 0.00 H new ATOM 0 HA ALA A 68 1.344 -2.056 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.747 -2.685 7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.537 -0.937 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.053 -1.544 8.730 1.00 0.00 H new ATOM 1092 N THR A 69 1.689 -4.213 8.805 1.00 0.00 N ATOM 1093 CA THR A 69 1.549 -5.390 9.716 1.00 0.00 C ATOM 1094 C THR A 69 2.302 -6.580 9.115 1.00 0.00 C ATOM 1095 O THR A 69 2.268 -6.808 7.922 1.00 0.00 O ATOM 1096 CB THR A 69 0.069 -5.747 9.865 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.662 -4.585 10.234 1.00 0.00 O ATOM 1098 CG2 THR A 69 -0.094 -6.818 10.944 1.00 0.00 C ATOM 0 H THR A 69 1.669 -4.435 7.810 1.00 0.00 H new ATOM 0 HA THR A 69 1.963 -5.148 10.695 1.00 0.00 H new ATOM 0 HB THR A 69 -0.310 -6.130 8.917 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.338 -4.393 9.551 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.149 -7.071 11.049 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.466 -7.709 10.660 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.284 -6.439 11.893 1.00 0.00 H new ATOM 1106 N HIS A 70 2.987 -7.335 9.930 1.00 0.00 N ATOM 1107 CA HIS A 70 3.747 -8.504 9.402 1.00 0.00 C ATOM 1108 C HIS A 70 2.774 -9.616 9.004 1.00 0.00 C ATOM 1109 O HIS A 70 2.917 -10.752 9.412 1.00 0.00 O ATOM 1110 CB HIS A 70 4.698 -9.022 10.481 1.00 0.00 C ATOM 1111 CG HIS A 70 5.762 -7.994 10.748 1.00 0.00 C ATOM 1112 ND1 HIS A 70 5.485 -6.634 10.782 1.00 0.00 N ATOM 1113 CD2 HIS A 70 7.109 -8.109 10.996 1.00 0.00 C ATOM 1114 CE1 HIS A 70 6.640 -5.991 11.040 1.00 0.00 C ATOM 1115 NE2 HIS A 70 7.656 -6.844 11.178 1.00 0.00 N ATOM 0 H HIS A 70 3.053 -7.193 10.938 1.00 0.00 H new ATOM 0 HA HIS A 70 4.320 -8.196 8.527 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.145 -9.235 11.396 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.154 -9.958 10.159 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.658 -9.038 11.042 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.732 -4.918 11.125 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.630 -6.616 11.376 1.00 0.00 H new ATOM 1124 N TYR A 71 1.786 -9.304 8.210 1.00 0.00 N ATOM 1125 CA TYR A 71 0.809 -10.348 7.788 1.00 0.00 C ATOM 1126 C TYR A 71 0.329 -11.121 9.018 1.00 0.00 C ATOM 1127 O TYR A 71 0.479 -12.323 9.107 1.00 0.00 O ATOM 1128 CB TYR A 71 1.485 -11.306 6.802 1.00 0.00 C ATOM 1129 CG TYR A 71 0.527 -12.417 6.432 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.571 -12.145 5.607 1.00 0.00 C ATOM 1131 CD2 TYR A 71 0.737 -13.718 6.909 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.459 -13.171 5.261 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -0.151 -14.743 6.563 1.00 0.00 C ATOM 1134 CZ TYR A 71 -1.249 -14.469 5.738 1.00 0.00 C ATOM 1135 OH TYR A 71 -2.123 -15.481 5.397 1.00 0.00 O ATOM 0 H TYR A 71 1.613 -8.371 7.835 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.047 -9.878 7.303 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.792 -10.765 5.907 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.388 -11.724 7.247 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.733 -11.143 5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.585 -13.930 7.544 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.306 -12.960 4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.010 -15.745 6.932 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.044 -15.183 5.549 1.00 0.00 H new ATOM 1145 N SER A 72 -0.247 -10.439 9.970 1.00 0.00 N ATOM 1146 CA SER A 72 -0.735 -11.131 11.196 1.00 0.00 C ATOM 1147 C SER A 72 -2.089 -11.782 10.909 1.00 0.00 C ATOM 1148 O SER A 72 -2.702 -11.539 9.888 1.00 0.00 O ATOM 1149 CB SER A 72 -0.888 -10.115 12.329 1.00 0.00 C ATOM 1150 OG SER A 72 -1.022 -10.805 13.564 1.00 0.00 O ATOM 0 H SER A 72 -0.401 -9.431 9.951 1.00 0.00 H new ATOM 0 HA SER A 72 -0.018 -11.897 11.490 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.021 -9.455 12.360 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.761 -9.487 12.154 1.00 0.00 H new ATOM 0 HG SER A 72 -1.119 -10.156 14.292 1.00 0.00 H new ATOM 1156 N SER A 73 -2.561 -12.607 11.803 1.00 0.00 N ATOM 1157 CA SER A 73 -3.876 -13.274 11.581 1.00 0.00 C ATOM 1158 C SER A 73 -5.006 -12.304 11.934 1.00 0.00 C ATOM 1159 O SER A 73 -6.138 -12.486 11.534 1.00 0.00 O ATOM 1160 CB SER A 73 -3.972 -14.515 12.469 1.00 0.00 C ATOM 1161 OG SER A 73 -4.229 -14.116 13.809 1.00 0.00 O ATOM 0 H SER A 73 -2.094 -12.848 12.677 1.00 0.00 H new ATOM 0 HA SER A 73 -3.964 -13.568 10.535 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.768 -15.170 12.114 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.044 -15.085 12.419 1.00 0.00 H new ATOM 0 HG SER A 73 -4.293 -14.910 14.380 1.00 0.00 H new ATOM 1167 N GLU A 74 -4.708 -11.276 12.681 1.00 0.00 N ATOM 1168 CA GLU A 74 -5.768 -10.299 13.058 1.00 0.00 C ATOM 1169 C GLU A 74 -6.041 -9.361 11.879 1.00 0.00 C ATOM 1170 O GLU A 74 -7.175 -9.112 11.522 1.00 0.00 O ATOM 1171 CB GLU A 74 -5.301 -9.481 14.264 1.00 0.00 C ATOM 1172 CG GLU A 74 -6.475 -8.667 14.814 1.00 0.00 C ATOM 1173 CD GLU A 74 -6.037 -7.931 16.082 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -4.857 -7.646 16.201 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -6.890 -7.667 16.914 1.00 0.00 O ATOM 0 H GLU A 74 -3.778 -11.071 13.046 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.682 -10.835 13.314 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.910 -10.143 15.037 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.488 -8.816 13.973 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.818 -7.952 14.066 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.316 -9.325 15.035 1.00 0.00 H new ATOM 1182 N ARG A 75 -5.010 -8.838 11.274 1.00 0.00 N ATOM 1183 CA ARG A 75 -5.211 -7.915 10.122 1.00 0.00 C ATOM 1184 C ARG A 75 -5.625 -8.724 8.889 1.00 0.00 C ATOM 1185 O ARG A 75 -6.435 -8.291 8.093 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.904 -7.170 9.831 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.710 -6.049 10.859 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.642 -6.642 12.269 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.014 -5.654 13.191 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.471 -6.053 14.309 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.479 -7.320 14.623 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.921 -5.186 15.114 1.00 0.00 N ATOM 0 H ARG A 75 -4.037 -9.010 11.528 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.993 -7.195 10.363 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.063 -7.862 9.870 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.928 -6.753 8.824 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.794 -5.499 10.642 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.533 -5.337 10.794 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.643 -6.896 12.617 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.064 -7.566 12.260 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.008 -4.663 12.948 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.910 -7.998 13.995 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.055 -7.632 15.497 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.915 -4.196 14.870 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.497 -5.499 15.987 1.00 0.00 H new ATOM 1206 N TRP A 76 -5.073 -9.895 8.722 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.434 -10.727 7.541 1.00 0.00 C ATOM 1208 C TRP A 76 -6.895 -11.166 7.647 1.00 0.00 C ATOM 1209 O TRP A 76 -7.653 -11.064 6.703 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.531 -11.961 7.492 1.00 0.00 C ATOM 1211 CG TRP A 76 -4.919 -12.820 6.332 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -4.933 -12.419 5.040 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -5.351 -14.211 6.335 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -5.345 -13.477 4.249 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -5.614 -14.603 5.000 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -5.537 -15.163 7.354 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -6.047 -15.893 4.689 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -5.973 -16.461 7.044 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -6.227 -16.825 5.714 1.00 0.00 C ATOM 0 H TRP A 76 -4.388 -10.311 9.353 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.300 -10.141 6.632 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.488 -11.658 7.400 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.618 -12.525 8.421 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -4.666 -11.435 4.684 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.438 -13.430 3.234 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.343 -14.893 8.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.242 -16.169 3.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -6.114 -17.183 7.835 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -6.562 -17.825 5.482 1.00 0.00 H new ATOM 1230 N THR A 77 -7.298 -11.654 8.788 1.00 0.00 N ATOM 1231 CA THR A 77 -8.709 -12.098 8.951 1.00 0.00 C ATOM 1232 C THR A 77 -9.622 -10.874 9.054 1.00 0.00 C ATOM 1233 O THR A 77 -10.776 -10.916 8.679 1.00 0.00 O ATOM 1234 CB THR A 77 -8.833 -12.935 10.225 1.00 0.00 C ATOM 1235 OG1 THR A 77 -8.476 -12.142 11.348 1.00 0.00 O ATOM 1236 CG2 THR A 77 -7.902 -14.146 10.135 1.00 0.00 C ATOM 0 H THR A 77 -6.710 -11.764 9.614 1.00 0.00 H new ATOM 0 HA THR A 77 -9.004 -12.698 8.090 1.00 0.00 H new ATOM 0 HB THR A 77 -9.862 -13.278 10.336 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.582 -12.397 11.657 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.991 -14.742 11.043 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.178 -14.754 9.274 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.872 -13.806 10.024 1.00 0.00 H new ATOM 1244 N ASN A 78 -9.111 -9.782 9.558 1.00 0.00 N ATOM 1245 CA ASN A 78 -9.947 -8.553 9.682 1.00 0.00 C ATOM 1246 C ASN A 78 -9.915 -7.785 8.362 1.00 0.00 C ATOM 1247 O ASN A 78 -10.803 -7.012 8.060 1.00 0.00 O ATOM 1248 CB ASN A 78 -9.388 -7.669 10.800 1.00 0.00 C ATOM 1249 CG ASN A 78 -10.289 -6.446 10.983 1.00 0.00 C ATOM 1250 OD1 ASN A 78 -11.585 -6.597 10.959 1.00 0.00 O flip ATOM 1251 ND2 ASN A 78 -9.808 -5.344 11.151 1.00 0.00 N flip ATOM 0 H ASN A 78 -8.151 -9.688 9.889 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.974 -8.831 9.918 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.331 -8.234 11.730 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.374 -7.353 10.556 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.795 -5.227 11.170 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.417 -4.535 11.274 1.00 0.00 H new ATOM 1258 N ALA A 79 -8.898 -7.990 7.570 1.00 0.00 N ATOM 1259 CA ALA A 79 -8.807 -7.271 6.269 1.00 0.00 C ATOM 1260 C ALA A 79 -9.703 -7.966 5.241 1.00 0.00 C ATOM 1261 O ALA A 79 -10.678 -7.411 4.776 1.00 0.00 O ATOM 1262 CB ALA A 79 -7.359 -7.286 5.777 1.00 0.00 C ATOM 0 H ALA A 79 -8.125 -8.626 7.769 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.134 -6.239 6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.293 -6.760 4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.721 -6.792 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.030 -8.317 5.645 1.00 0.00 H new ATOM 1268 N ASP A 80 -9.377 -9.178 4.881 1.00 0.00 N ATOM 1269 CA ASP A 80 -10.208 -9.907 3.883 1.00 0.00 C ATOM 1270 C ASP A 80 -11.681 -9.830 4.292 1.00 0.00 C ATOM 1271 O ASP A 80 -12.513 -9.331 3.561 1.00 0.00 O ATOM 1272 CB ASP A 80 -9.770 -11.372 3.827 1.00 0.00 C ATOM 1273 CG ASP A 80 -10.607 -12.116 2.784 1.00 0.00 C ATOM 1274 OD1 ASP A 80 -10.865 -11.541 1.741 1.00 0.00 O ATOM 1275 OD2 ASP A 80 -10.974 -13.250 3.049 1.00 0.00 O ATOM 0 H ASP A 80 -8.571 -9.694 5.235 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.079 -9.452 2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.712 -11.437 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.892 -11.837 4.805 1.00 0.00 H new ATOM 1280 N LYS A 81 -12.009 -10.321 5.456 1.00 0.00 N ATOM 1281 CA LYS A 81 -13.427 -10.275 5.911 1.00 0.00 C ATOM 1282 C LYS A 81 -13.751 -8.873 6.429 1.00 0.00 C ATOM 1283 O LYS A 81 -13.967 -7.996 5.609 1.00 0.00 O ATOM 1284 CB LYS A 81 -13.636 -11.294 7.033 1.00 0.00 C ATOM 1285 CG LYS A 81 -15.117 -11.342 7.411 1.00 0.00 C ATOM 1286 CD LYS A 81 -15.356 -12.482 8.403 1.00 0.00 C ATOM 1287 CE LYS A 81 -16.836 -12.526 8.785 1.00 0.00 C ATOM 1288 NZ LYS A 81 -17.650 -12.856 7.580 1.00 0.00 N ATOM 0 H LYS A 81 -11.356 -10.752 6.111 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.085 -10.515 5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.300 -12.280 6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.037 -11.022 7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.421 -10.393 7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.726 -11.489 6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.056 -13.432 7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.744 -12.337 9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -17.000 -13.271 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.146 -11.564 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.580 -13.216 7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.778 -12.001 7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.161 -13.582 7.019 1.00 0.00 H new TER 1302 LYS A 81