USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 802 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 84 TYR OH : rot -100:sc= 0.0686 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 58 LYS NZ :NH3+ 173:sc= 0.166 (180deg=0.154) USER MOD Set 2.2: A 79 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 69 THR OG1 : rot 134:sc= -1.35 USER MOD Set 3.2: A 71 SER OG : rot 40:sc= -2.05! USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0112) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -6.08! C(o=-6.1!,f=-20!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -0.312 K(o=-0.31,f=-2.2!) USER MOD Single : A 16 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.17) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.321 K(o=-0.32,f=-3.1!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl -110:sc= -0.12 (180deg=-2.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 39 THR OG1 : rot 171:sc= 1.48 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -3.99 (180deg=-7.72!) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.468 F(o=-2.4,f=-0.47) USER MOD Single : A 52 GLN : amide:sc= -1.06 K(o=-1.1,f=-4.9!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -3.49! C(o=-3.5!,f=-12!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.06 K(o=1.1,f=-4.8!) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -154:sc= 1.03 (180deg=0.952) USER MOD Single : A 90 ASN : amide:sc= -1.06! C(o=-1.1!,f=-2.6!) USER MOD Single : A 91 LYS NZ :NH3+ 154:sc= -0.0613 (180deg=-0.999) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.440 9.061 0.588 1.00 0.00 N ATOM 2 CA MET A 1 -8.289 9.701 -0.752 1.00 0.00 C ATOM 3 C MET A 1 -9.077 8.921 -1.805 1.00 0.00 C ATOM 4 O MET A 1 -10.007 9.426 -2.402 1.00 0.00 O ATOM 5 CB MET A 1 -6.793 9.637 -1.056 1.00 0.00 C ATOM 6 CG MET A 1 -6.104 10.881 -0.494 1.00 0.00 C ATOM 7 SD MET A 1 -4.560 10.403 0.320 1.00 0.00 S ATOM 8 CE MET A 1 -5.144 10.561 2.026 1.00 0.00 C ATOM 0 H1 MET A 1 -7.900 9.601 1.294 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.445 9.050 0.856 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.081 8.086 0.549 1.00 0.00 H new ATOM 0 HA MET A 1 -8.667 10.723 -0.763 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.360 8.739 -0.616 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.632 9.574 -2.132 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.900 11.590 -1.296 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.761 11.384 0.216 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.321 10.360 2.712 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.515 11.572 2.191 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.947 9.846 2.203 1.00 0.00 H new ATOM 20 N LEU A 2 -8.708 7.692 -2.039 1.00 0.00 N ATOM 21 CA LEU A 2 -9.432 6.878 -3.054 1.00 0.00 C ATOM 22 C LEU A 2 -10.690 6.282 -2.467 1.00 0.00 C ATOM 23 O LEU A 2 -10.708 5.706 -1.398 1.00 0.00 O ATOM 24 CB LEU A 2 -8.470 5.778 -3.455 1.00 0.00 C ATOM 25 CG LEU A 2 -8.993 5.119 -4.724 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.825 4.604 -5.566 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.905 3.962 -4.339 1.00 0.00 C ATOM 0 H LEU A 2 -7.936 7.217 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.737 7.485 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.474 6.188 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.380 5.043 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.551 5.848 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.209 4.134 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.176 5.437 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.256 3.873 -4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.285 3.483 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.343 3.236 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.740 4.338 -3.748 1.00 0.00 H new ATOM 39 N THR A 3 -11.742 6.444 -3.184 1.00 0.00 N ATOM 40 CA THR A 3 -13.056 5.936 -2.752 1.00 0.00 C ATOM 41 C THR A 3 -13.590 4.981 -3.831 1.00 0.00 C ATOM 42 O THR A 3 -13.045 4.900 -4.914 1.00 0.00 O ATOM 43 CB THR A 3 -13.861 7.230 -2.597 1.00 0.00 C ATOM 44 OG1 THR A 3 -14.008 7.521 -1.216 1.00 0.00 O ATOM 45 CG2 THR A 3 -15.253 7.148 -3.242 1.00 0.00 C ATOM 0 H THR A 3 -11.750 6.924 -4.084 1.00 0.00 H new ATOM 0 HA THR A 3 -13.075 5.352 -1.832 1.00 0.00 H new ATOM 0 HB THR A 3 -13.311 8.018 -3.111 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.521 8.349 -1.109 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.776 8.094 -3.100 1.00 0.00 H new ATOM 0 HG22 THR A 3 -15.149 6.948 -4.308 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.823 6.344 -2.776 1.00 0.00 H new ATOM 53 N GLY A 4 -14.630 4.252 -3.535 1.00 0.00 N ATOM 54 CA GLY A 4 -15.195 3.285 -4.532 1.00 0.00 C ATOM 55 C GLY A 4 -15.269 3.926 -5.926 1.00 0.00 C ATOM 56 O GLY A 4 -15.024 3.283 -6.930 1.00 0.00 O ATOM 0 H GLY A 4 -15.120 4.281 -2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.574 2.390 -4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.190 2.970 -4.217 1.00 0.00 H new ATOM 60 N LYS A 5 -15.599 5.186 -5.994 1.00 0.00 N ATOM 61 CA LYS A 5 -15.685 5.862 -7.320 1.00 0.00 C ATOM 62 C LYS A 5 -14.287 6.115 -7.892 1.00 0.00 C ATOM 63 O LYS A 5 -14.054 5.921 -9.070 1.00 0.00 O ATOM 64 CB LYS A 5 -16.402 7.182 -7.048 1.00 0.00 C ATOM 65 CG LYS A 5 -16.458 8.015 -8.329 1.00 0.00 C ATOM 66 CD LYS A 5 -17.593 9.034 -8.222 1.00 0.00 C ATOM 67 CE LYS A 5 -18.811 8.526 -8.998 1.00 0.00 C ATOM 68 NZ LYS A 5 -19.677 9.724 -9.183 1.00 0.00 N ATOM 0 H LYS A 5 -15.813 5.777 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 5 -16.214 5.253 -8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.411 6.990 -6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.881 7.735 -6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.508 8.527 -8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.616 7.367 -9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.855 9.193 -7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.271 9.996 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.518 8.099 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.332 7.744 -8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.534 9.455 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.946 10.105 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.157 10.449 -9.717 1.00 0.00 H new ATOM 82 N GLN A 6 -13.343 6.533 -7.083 1.00 0.00 N ATOM 83 CA GLN A 6 -11.978 6.771 -7.620 1.00 0.00 C ATOM 84 C GLN A 6 -11.460 5.471 -8.220 1.00 0.00 C ATOM 85 O GLN A 6 -10.856 5.444 -9.272 1.00 0.00 O ATOM 86 CB GLN A 6 -11.132 7.189 -6.433 1.00 0.00 C ATOM 87 CG GLN A 6 -11.335 8.684 -6.142 1.00 0.00 C ATOM 88 CD GLN A 6 -12.496 8.896 -5.173 1.00 0.00 C ATOM 89 OE1 GLN A 6 -13.542 8.296 -5.315 1.00 0.00 O ATOM 90 NE2 GLN A 6 -12.357 9.741 -4.189 1.00 0.00 N ATOM 0 H GLN A 6 -13.462 6.716 -6.087 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.957 7.535 -8.397 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.404 6.600 -5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.080 6.990 -6.638 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.422 9.104 -5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.530 9.217 -7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.478 10.245 -4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.127 9.898 -3.539 1.00 0.00 H new ATOM 99 N LYS A 7 -11.728 4.386 -7.552 1.00 0.00 N ATOM 100 CA LYS A 7 -11.296 3.054 -8.052 1.00 0.00 C ATOM 101 C LYS A 7 -11.756 2.872 -9.504 1.00 0.00 C ATOM 102 O LYS A 7 -10.987 2.519 -10.369 1.00 0.00 O ATOM 103 CB LYS A 7 -12.010 2.064 -7.111 1.00 0.00 C ATOM 104 CG LYS A 7 -12.176 0.695 -7.780 1.00 0.00 C ATOM 105 CD LYS A 7 -12.529 -0.365 -6.730 1.00 0.00 C ATOM 106 CE LYS A 7 -11.401 -0.481 -5.700 1.00 0.00 C ATOM 107 NZ LYS A 7 -12.040 -0.160 -4.392 1.00 0.00 N ATOM 0 H LYS A 7 -12.236 4.366 -6.668 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.215 2.916 -8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.438 1.956 -6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.988 2.459 -6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.959 0.744 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.255 0.418 -8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.461 -0.098 -6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.691 -1.328 -7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.973 -1.483 -5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.589 0.211 -5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.329 -0.218 -3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.433 0.802 -4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.804 -0.840 -4.203 1.00 0.00 H new ATOM 121 N ARG A 8 -13.013 3.089 -9.765 1.00 0.00 N ATOM 122 CA ARG A 8 -13.529 2.902 -11.149 1.00 0.00 C ATOM 123 C ARG A 8 -12.700 3.701 -12.169 1.00 0.00 C ATOM 124 O ARG A 8 -12.172 3.154 -13.124 1.00 0.00 O ATOM 125 CB ARG A 8 -14.965 3.426 -11.091 1.00 0.00 C ATOM 126 CG ARG A 8 -15.728 2.961 -12.331 1.00 0.00 C ATOM 127 CD ARG A 8 -16.911 3.896 -12.582 1.00 0.00 C ATOM 128 NE ARG A 8 -18.077 2.993 -12.778 1.00 0.00 N ATOM 129 CZ ARG A 8 -18.878 2.739 -11.780 1.00 0.00 C ATOM 130 NH1 ARG A 8 -19.416 3.720 -11.109 1.00 0.00 N ATOM 131 NH2 ARG A 8 -19.142 1.503 -11.453 1.00 0.00 N ATOM 0 H ARG A 8 -13.707 3.388 -9.080 1.00 0.00 H new ATOM 0 HA ARG A 8 -13.473 1.862 -11.470 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.459 3.064 -10.190 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.964 4.515 -11.038 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.066 2.954 -13.197 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.081 1.939 -12.192 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.069 4.568 -11.739 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.742 4.520 -13.460 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.250 2.573 -13.691 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.210 4.686 -11.365 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.042 3.521 -10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -18.722 0.736 -11.978 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -19.768 1.305 -10.673 1.00 0.00 H new ATOM 145 N TYR A 9 -12.580 4.985 -11.977 1.00 0.00 N ATOM 146 CA TYR A 9 -11.793 5.817 -12.939 1.00 0.00 C ATOM 147 C TYR A 9 -10.336 5.391 -12.954 1.00 0.00 C ATOM 148 O TYR A 9 -9.756 5.124 -13.988 1.00 0.00 O ATOM 149 CB TYR A 9 -11.871 7.244 -12.400 1.00 0.00 C ATOM 150 CG TYR A 9 -13.218 7.838 -12.738 1.00 0.00 C ATOM 151 CD1 TYR A 9 -13.427 8.434 -13.987 1.00 0.00 C ATOM 152 CD2 TYR A 9 -14.260 7.787 -11.803 1.00 0.00 C ATOM 153 CE1 TYR A 9 -14.677 8.982 -14.302 1.00 0.00 C ATOM 154 CE2 TYR A 9 -15.511 8.333 -12.119 1.00 0.00 C ATOM 155 CZ TYR A 9 -15.719 8.931 -13.369 1.00 0.00 C ATOM 156 OH TYR A 9 -16.951 9.469 -13.682 1.00 0.00 O ATOM 0 H TYR A 9 -12.992 5.497 -11.197 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.186 5.717 -13.951 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -11.722 7.245 -11.320 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -11.075 7.851 -12.832 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.624 8.471 -14.708 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.099 7.327 -10.839 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -14.837 9.444 -15.265 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -16.315 8.293 -11.399 1.00 0.00 H new ATOM 0 HH TYR A 9 -17.562 9.349 -12.925 1.00 0.00 H new ATOM 166 N LEU A 10 -9.736 5.373 -11.808 1.00 0.00 N ATOM 167 CA LEU A 10 -8.302 5.019 -11.722 1.00 0.00 C ATOM 168 C LEU A 10 -8.044 3.568 -12.118 1.00 0.00 C ATOM 169 O LEU A 10 -7.041 3.261 -12.733 1.00 0.00 O ATOM 170 CB LEU A 10 -7.937 5.272 -10.263 1.00 0.00 C ATOM 171 CG LEU A 10 -6.743 6.205 -10.242 1.00 0.00 C ATOM 172 CD1 LEU A 10 -6.486 6.711 -8.826 1.00 0.00 C ATOM 173 CD2 LEU A 10 -5.530 5.429 -10.726 1.00 0.00 C ATOM 0 H LEU A 10 -10.182 5.591 -10.917 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.697 5.608 -12.411 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.778 5.715 -9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.699 4.335 -9.760 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.936 7.063 -10.885 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.625 7.380 -8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.363 7.250 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.286 5.865 -8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.656 6.080 -10.720 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.354 4.579 -10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.708 5.070 -11.740 1.00 0.00 H new ATOM 185 N ARG A 11 -8.923 2.669 -11.784 1.00 0.00 N ATOM 186 CA ARG A 11 -8.692 1.246 -12.165 1.00 0.00 C ATOM 187 C ARG A 11 -8.420 1.162 -13.673 1.00 0.00 C ATOM 188 O ARG A 11 -7.563 0.427 -14.120 1.00 0.00 O ATOM 189 CB ARG A 11 -9.991 0.516 -11.794 1.00 0.00 C ATOM 190 CG ARG A 11 -10.026 -0.869 -12.450 1.00 0.00 C ATOM 191 CD ARG A 11 -10.631 -0.749 -13.850 1.00 0.00 C ATOM 192 NE ARG A 11 -11.942 -1.450 -13.766 1.00 0.00 N ATOM 193 CZ ARG A 11 -12.960 -1.014 -14.456 1.00 0.00 C ATOM 194 NH1 ARG A 11 -13.106 -1.373 -15.701 1.00 0.00 N ATOM 195 NH2 ARG A 11 -13.829 -0.214 -13.901 1.00 0.00 N ATOM 0 H ARG A 11 -9.784 2.852 -11.269 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.834 0.804 -11.659 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.064 0.415 -10.711 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.851 1.102 -12.118 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.019 -1.281 -12.511 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.616 -1.557 -11.844 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.760 0.295 -14.136 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.986 -1.208 -14.599 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.044 -2.271 -13.169 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.424 -1.995 -16.136 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.902 -1.032 -16.240 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.712 0.070 -12.928 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.625 0.127 -14.440 1.00 0.00 H new ATOM 209 N SER A 12 -9.146 1.916 -14.458 1.00 0.00 N ATOM 210 CA SER A 12 -8.923 1.879 -15.933 1.00 0.00 C ATOM 211 C SER A 12 -7.614 2.594 -16.299 1.00 0.00 C ATOM 212 O SER A 12 -6.917 2.198 -17.210 1.00 0.00 O ATOM 213 CB SER A 12 -10.123 2.612 -16.534 1.00 0.00 C ATOM 214 OG SER A 12 -10.293 2.203 -17.884 1.00 0.00 O ATOM 0 H SER A 12 -9.879 2.552 -14.143 1.00 0.00 H new ATOM 0 HA SER A 12 -8.837 0.859 -16.309 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.023 2.393 -15.959 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.968 3.690 -16.485 1.00 0.00 H new ATOM 0 HG SER A 12 -11.062 2.669 -18.273 1.00 0.00 H new ATOM 220 N LEU A 13 -7.279 3.650 -15.602 1.00 0.00 N ATOM 221 CA LEU A 13 -6.019 4.389 -15.921 1.00 0.00 C ATOM 222 C LEU A 13 -4.816 3.466 -15.869 1.00 0.00 C ATOM 223 O LEU A 13 -4.015 3.461 -16.770 1.00 0.00 O ATOM 224 CB LEU A 13 -5.902 5.455 -14.819 1.00 0.00 C ATOM 225 CG LEU A 13 -6.782 6.701 -15.085 1.00 0.00 C ATOM 226 CD1 LEU A 13 -5.879 7.892 -15.407 1.00 0.00 C ATOM 227 CD2 LEU A 13 -7.760 6.490 -16.251 1.00 0.00 C ATOM 0 H LEU A 13 -7.822 4.032 -14.828 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.046 4.815 -16.924 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.186 5.014 -13.863 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.861 5.765 -14.730 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.371 6.885 -14.186 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.492 8.773 -15.595 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.216 8.085 -14.563 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.284 7.668 -16.292 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.353 7.393 -16.396 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.200 6.274 -17.161 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.421 5.654 -16.024 1.00 0.00 H new ATOM 239 N ALA A 14 -4.680 2.700 -14.824 1.00 0.00 N ATOM 240 CA ALA A 14 -3.503 1.788 -14.701 1.00 0.00 C ATOM 241 C ALA A 14 -3.595 0.603 -15.679 1.00 0.00 C ATOM 242 O ALA A 14 -2.719 -0.237 -15.722 1.00 0.00 O ATOM 243 CB ALA A 14 -3.575 1.282 -13.266 1.00 0.00 C ATOM 0 H ALA A 14 -5.336 2.664 -14.044 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.570 2.301 -14.935 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.746 0.600 -13.079 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.513 2.126 -12.579 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.518 0.757 -13.112 1.00 0.00 H new ATOM 249 N HIS A 15 -4.650 0.509 -16.444 1.00 0.00 N ATOM 250 CA HIS A 15 -4.787 -0.644 -17.388 1.00 0.00 C ATOM 251 C HIS A 15 -3.794 -0.550 -18.556 1.00 0.00 C ATOM 252 O HIS A 15 -3.159 -1.522 -18.914 1.00 0.00 O ATOM 253 CB HIS A 15 -6.221 -0.557 -17.910 1.00 0.00 C ATOM 254 CG HIS A 15 -6.660 -1.912 -18.391 1.00 0.00 C ATOM 255 ND1 HIS A 15 -5.819 -2.753 -19.106 1.00 0.00 N ATOM 256 CD2 HIS A 15 -7.848 -2.590 -18.267 1.00 0.00 C ATOM 257 CE1 HIS A 15 -6.507 -3.876 -19.382 1.00 0.00 C ATOM 258 NE2 HIS A 15 -7.749 -3.830 -18.893 1.00 0.00 N ATOM 0 H HIS A 15 -5.421 1.177 -16.458 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.574 -1.589 -16.887 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.886 -0.206 -17.121 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.281 0.167 -18.723 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -4.855 -2.556 -19.374 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -8.726 -2.218 -17.761 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.104 -4.713 -19.932 1.00 0.00 H new ATOM 266 N ASN A 16 -3.665 0.596 -19.167 1.00 0.00 N ATOM 267 CA ASN A 16 -2.723 0.718 -20.324 1.00 0.00 C ATOM 268 C ASN A 16 -1.324 1.139 -19.862 1.00 0.00 C ATOM 269 O ASN A 16 -0.445 1.378 -20.666 1.00 0.00 O ATOM 270 CB ASN A 16 -3.335 1.798 -21.217 1.00 0.00 C ATOM 271 CG ASN A 16 -2.808 1.641 -22.645 1.00 0.00 C ATOM 272 OD1 ASN A 16 -3.478 1.091 -23.496 1.00 0.00 O ATOM 273 ND2 ASN A 16 -1.627 2.107 -22.947 1.00 0.00 N ATOM 0 H ASN A 16 -4.166 1.450 -18.920 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.600 -0.233 -20.842 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.422 1.718 -21.209 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.085 2.787 -20.833 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.268 2.009 -23.897 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.063 2.569 -22.233 1.00 0.00 H new ATOM 280 N ILE A 17 -1.109 1.246 -18.580 1.00 0.00 N ATOM 281 CA ILE A 17 0.221 1.662 -18.075 1.00 0.00 C ATOM 282 C ILE A 17 1.069 0.421 -17.771 1.00 0.00 C ATOM 283 O ILE A 17 0.615 -0.698 -17.903 1.00 0.00 O ATOM 284 CB ILE A 17 -0.061 2.455 -16.792 1.00 0.00 C ATOM 285 CG1 ILE A 17 -1.403 3.216 -16.918 1.00 0.00 C ATOM 286 CG2 ILE A 17 1.089 3.427 -16.574 1.00 0.00 C ATOM 287 CD1 ILE A 17 -1.499 4.365 -15.911 1.00 0.00 C ATOM 0 H ILE A 17 -1.806 1.061 -17.858 1.00 0.00 H new ATOM 0 HA ILE A 17 0.773 2.261 -18.800 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.141 1.780 -15.940 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.505 3.609 -17.930 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.230 2.524 -16.760 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.911 4.003 -15.666 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.021 2.871 -16.474 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.160 4.104 -17.425 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.455 4.875 -16.031 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.423 3.969 -14.898 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.687 5.071 -16.086 1.00 0.00 H new ATOM 299 N ASP A 18 2.296 0.608 -17.372 1.00 0.00 N ATOM 300 CA ASP A 18 3.170 -0.563 -17.069 1.00 0.00 C ATOM 301 C ASP A 18 3.275 -0.787 -15.553 1.00 0.00 C ATOM 302 O ASP A 18 3.235 0.153 -14.786 1.00 0.00 O ATOM 303 CB ASP A 18 4.534 -0.203 -17.656 1.00 0.00 C ATOM 304 CG ASP A 18 4.629 -0.739 -19.086 1.00 0.00 C ATOM 305 OD1 ASP A 18 4.324 -1.904 -19.282 1.00 0.00 O ATOM 306 OD2 ASP A 18 5.005 0.025 -19.960 1.00 0.00 O ATOM 0 H ASP A 18 2.733 1.521 -17.242 1.00 0.00 H new ATOM 0 HA ASP A 18 2.774 -1.486 -17.491 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.670 0.878 -17.651 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.329 -0.627 -17.043 1.00 0.00 H new ATOM 311 N PRO A 19 3.409 -2.039 -15.171 1.00 0.00 N ATOM 312 CA PRO A 19 3.510 -2.404 -13.729 1.00 0.00 C ATOM 313 C PRO A 19 4.771 -1.811 -13.088 1.00 0.00 C ATOM 314 O PRO A 19 5.879 -2.047 -13.528 1.00 0.00 O ATOM 315 CB PRO A 19 3.560 -3.931 -13.750 1.00 0.00 C ATOM 316 CG PRO A 19 4.058 -4.273 -15.113 1.00 0.00 C ATOM 317 CD PRO A 19 3.495 -3.226 -16.032 1.00 0.00 C ATOM 0 HA PRO A 19 2.681 -2.017 -13.136 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.225 -4.316 -12.977 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.576 -4.362 -13.568 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.148 -4.273 -15.142 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.731 -5.270 -15.410 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.142 -3.054 -16.892 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.518 -3.514 -16.421 1.00 0.00 H new ATOM 325 N ILE A 20 4.595 -1.045 -12.039 1.00 0.00 N ATOM 326 CA ILE A 20 5.754 -0.426 -11.329 1.00 0.00 C ATOM 327 C ILE A 20 6.871 -1.471 -11.122 1.00 0.00 C ATOM 328 O ILE A 20 8.020 -1.218 -11.424 1.00 0.00 O ATOM 329 CB ILE A 20 5.147 0.081 -10.009 1.00 0.00 C ATOM 330 CG1 ILE A 20 6.102 1.082 -9.335 1.00 0.00 C ATOM 331 CG2 ILE A 20 4.839 -1.096 -9.082 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.738 1.259 -7.859 1.00 0.00 C ATOM 0 H ILE A 20 3.683 -0.820 -11.640 1.00 0.00 H new ATOM 0 HA ILE A 20 6.230 0.386 -11.879 1.00 0.00 H new ATOM 0 HB ILE A 20 4.211 0.597 -10.223 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.129 0.729 -9.422 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.051 2.043 -9.846 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.410 -0.724 -8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.128 -1.765 -9.567 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.759 -1.639 -8.866 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.423 1.970 -7.398 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.718 1.634 -7.778 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.813 0.299 -7.348 1.00 0.00 H new ATOM 344 N PHE A 21 6.536 -2.646 -10.639 1.00 0.00 N ATOM 345 CA PHE A 21 7.567 -3.713 -10.436 1.00 0.00 C ATOM 346 C PHE A 21 6.905 -5.095 -10.401 1.00 0.00 C ATOM 347 O PHE A 21 5.710 -5.215 -10.223 1.00 0.00 O ATOM 348 CB PHE A 21 8.202 -3.396 -9.093 1.00 0.00 C ATOM 349 CG PHE A 21 9.138 -2.237 -9.267 1.00 0.00 C ATOM 350 CD1 PHE A 21 10.173 -2.293 -10.207 1.00 0.00 C ATOM 351 CD2 PHE A 21 8.952 -1.095 -8.501 1.00 0.00 C ATOM 352 CE1 PHE A 21 11.024 -1.193 -10.371 1.00 0.00 C ATOM 353 CE2 PHE A 21 9.792 0.003 -8.662 1.00 0.00 C ATOM 354 CZ PHE A 21 10.832 -0.040 -9.597 1.00 0.00 C ATOM 0 H PHE A 21 5.587 -2.912 -10.376 1.00 0.00 H new ATOM 0 HA PHE A 21 8.301 -3.733 -11.242 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.433 -3.154 -8.359 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.742 -4.265 -8.715 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.315 -3.182 -10.804 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.152 -1.058 -7.777 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.827 -1.233 -11.092 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.641 0.890 -8.064 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.484 0.812 -9.722 1.00 0.00 H new ATOM 364 N GLN A 22 7.673 -6.139 -10.578 1.00 0.00 N ATOM 365 CA GLN A 22 7.082 -7.509 -10.564 1.00 0.00 C ATOM 366 C GLN A 22 7.541 -8.298 -9.328 1.00 0.00 C ATOM 367 O GLN A 22 8.714 -8.366 -9.019 1.00 0.00 O ATOM 368 CB GLN A 22 7.607 -8.177 -11.837 1.00 0.00 C ATOM 369 CG GLN A 22 6.921 -7.567 -13.062 1.00 0.00 C ATOM 370 CD GLN A 22 7.928 -7.464 -14.210 1.00 0.00 C ATOM 371 OE1 GLN A 22 8.917 -6.768 -14.104 1.00 0.00 O ATOM 372 NE2 GLN A 22 7.720 -8.135 -15.310 1.00 0.00 N ATOM 0 H GLN A 22 8.681 -6.102 -10.731 1.00 0.00 H new ATOM 0 HA GLN A 22 5.993 -7.476 -10.525 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.687 -8.045 -11.910 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.419 -9.250 -11.800 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.073 -8.183 -13.362 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.528 -6.580 -12.819 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.890 -8.720 -15.401 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.388 -8.074 -16.079 1.00 0.00 H new ATOM 381 N ILE A 23 6.619 -8.916 -8.638 1.00 0.00 N ATOM 382 CA ILE A 23 6.978 -9.731 -7.439 1.00 0.00 C ATOM 383 C ILE A 23 7.338 -11.147 -7.905 1.00 0.00 C ATOM 384 O ILE A 23 6.801 -11.635 -8.875 1.00 0.00 O ATOM 385 CB ILE A 23 5.723 -9.666 -6.519 1.00 0.00 C ATOM 386 CG1 ILE A 23 6.082 -8.864 -5.265 1.00 0.00 C ATOM 387 CG2 ILE A 23 5.194 -11.055 -6.079 1.00 0.00 C ATOM 388 CD1 ILE A 23 4.818 -8.599 -4.447 1.00 0.00 C ATOM 0 H ILE A 23 5.623 -8.891 -8.856 1.00 0.00 H new ATOM 0 HA ILE A 23 7.846 -9.372 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 23 4.930 -9.196 -7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.807 -9.413 -4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.550 -7.921 -5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.320 -10.926 -5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.918 -11.635 -6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.972 -11.582 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.075 -8.028 -3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.108 -8.032 -5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.369 -9.548 -4.154 1.00 0.00 H new ATOM 400 N GLY A 24 8.247 -11.800 -7.230 1.00 0.00 N ATOM 401 CA GLY A 24 8.633 -13.180 -7.642 1.00 0.00 C ATOM 402 C GLY A 24 7.654 -14.180 -7.032 1.00 0.00 C ATOM 403 O GLY A 24 7.004 -13.900 -6.045 1.00 0.00 O ATOM 0 H GLY A 24 8.738 -11.437 -6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.626 -13.263 -8.729 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.648 -13.400 -7.312 1.00 0.00 H new ATOM 407 N LYS A 25 7.534 -15.341 -7.612 1.00 0.00 N ATOM 408 CA LYS A 25 6.584 -16.342 -7.054 1.00 0.00 C ATOM 409 C LYS A 25 7.042 -16.794 -5.668 1.00 0.00 C ATOM 410 O LYS A 25 8.147 -17.267 -5.489 1.00 0.00 O ATOM 411 CB LYS A 25 6.592 -17.510 -8.042 1.00 0.00 C ATOM 412 CG LYS A 25 5.667 -18.620 -7.534 1.00 0.00 C ATOM 413 CD LYS A 25 6.486 -19.669 -6.780 1.00 0.00 C ATOM 414 CE LYS A 25 5.586 -20.852 -6.412 1.00 0.00 C ATOM 415 NZ LYS A 25 6.027 -21.960 -7.303 1.00 0.00 N ATOM 0 H LYS A 25 8.048 -15.638 -8.441 1.00 0.00 H new ATOM 0 HA LYS A 25 5.582 -15.931 -6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.264 -17.171 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.606 -17.893 -8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.905 -18.200 -6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.146 -19.084 -8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.317 -20.009 -7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.916 -19.231 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.697 -21.121 -5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.534 -20.613 -6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.456 -22.808 -7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.903 -21.677 -8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.030 -22.170 -7.125 1.00 0.00 H new ATOM 429 N GLY A 26 6.197 -16.646 -4.688 1.00 0.00 N ATOM 430 CA GLY A 26 6.570 -17.058 -3.308 1.00 0.00 C ATOM 431 C GLY A 26 5.820 -16.184 -2.302 1.00 0.00 C ATOM 432 O GLY A 26 5.318 -16.662 -1.303 1.00 0.00 O ATOM 0 H GLY A 26 5.260 -16.256 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.324 -18.108 -3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.646 -16.958 -3.164 1.00 0.00 H new ATOM 436 N GLY A 27 5.742 -14.904 -2.554 1.00 0.00 N ATOM 437 CA GLY A 27 5.029 -14.003 -1.612 1.00 0.00 C ATOM 438 C GLY A 27 5.535 -12.584 -1.830 1.00 0.00 C ATOM 439 O GLY A 27 6.523 -12.373 -2.506 1.00 0.00 O ATOM 0 H GLY A 27 6.143 -14.447 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.953 -14.052 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.205 -14.315 -0.582 1.00 0.00 H new ATOM 443 N ILE A 28 4.881 -11.608 -1.274 1.00 0.00 N ATOM 444 CA ILE A 28 5.357 -10.215 -1.474 1.00 0.00 C ATOM 445 C ILE A 28 6.737 -10.057 -0.832 1.00 0.00 C ATOM 446 O ILE A 28 6.895 -10.185 0.365 1.00 0.00 O ATOM 447 CB ILE A 28 4.320 -9.343 -0.768 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.004 -9.419 -1.540 1.00 0.00 C ATOM 449 CG2 ILE A 28 4.804 -7.892 -0.720 1.00 0.00 C ATOM 450 CD1 ILE A 28 1.957 -8.544 -0.859 1.00 0.00 C ATOM 0 H ILE A 28 4.047 -11.711 -0.696 1.00 0.00 H new ATOM 0 HA ILE A 28 5.458 -9.942 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 28 4.175 -9.700 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.155 -9.089 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.656 -10.451 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.059 -7.277 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.747 -7.841 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.951 -7.524 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.020 -8.601 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.798 -8.894 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.304 -7.511 -0.838 1.00 0.00 H new ATOM 462 N ASN A 29 7.735 -9.786 -1.623 1.00 0.00 N ATOM 463 CA ASN A 29 9.108 -9.626 -1.063 1.00 0.00 C ATOM 464 C ASN A 29 9.435 -8.145 -0.861 1.00 0.00 C ATOM 465 O ASN A 29 9.229 -7.331 -1.740 1.00 0.00 O ATOM 466 CB ASN A 29 10.031 -10.236 -2.118 1.00 0.00 C ATOM 467 CG ASN A 29 10.981 -11.236 -1.459 1.00 0.00 C ATOM 468 OD1 ASN A 29 11.055 -11.317 -0.248 1.00 0.00 O ATOM 469 ND2 ASN A 29 11.719 -12.007 -2.210 1.00 0.00 N ATOM 0 H ASN A 29 7.662 -9.668 -2.633 1.00 0.00 H new ATOM 0 HA ASN A 29 9.215 -10.107 -0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.440 -10.734 -2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.602 -9.450 -2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.357 -12.677 -1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.657 -11.940 -3.226 1.00 0.00 H new ATOM 476 N GLU A 30 9.953 -7.784 0.286 1.00 0.00 N ATOM 477 CA GLU A 30 10.296 -6.350 0.520 1.00 0.00 C ATOM 478 C GLU A 30 11.221 -5.855 -0.588 1.00 0.00 C ATOM 479 O GLU A 30 11.149 -4.721 -1.000 1.00 0.00 O ATOM 480 CB GLU A 30 11.016 -6.307 1.866 1.00 0.00 C ATOM 481 CG GLU A 30 11.426 -4.863 2.172 1.00 0.00 C ATOM 482 CD GLU A 30 11.615 -4.696 3.682 1.00 0.00 C ATOM 483 OE1 GLU A 30 12.573 -5.243 4.202 1.00 0.00 O ATOM 484 OE2 GLU A 30 10.795 -4.028 4.290 1.00 0.00 O ATOM 0 H GLU A 30 10.151 -8.414 1.063 1.00 0.00 H new ATOM 0 HA GLU A 30 9.410 -5.715 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.364 -6.687 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.896 -6.950 1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.351 -4.618 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.663 -4.173 1.811 1.00 0.00 H new ATOM 491 N ASN A 31 12.084 -6.702 -1.087 1.00 0.00 N ATOM 492 CA ASN A 31 12.996 -6.264 -2.185 1.00 0.00 C ATOM 493 C ASN A 31 12.165 -5.630 -3.302 1.00 0.00 C ATOM 494 O ASN A 31 12.486 -4.575 -3.818 1.00 0.00 O ATOM 495 CB ASN A 31 13.678 -7.540 -2.679 1.00 0.00 C ATOM 496 CG ASN A 31 15.007 -7.725 -1.945 1.00 0.00 C ATOM 497 OD1 ASN A 31 16.062 -7.624 -2.538 1.00 0.00 O ATOM 498 ND2 ASN A 31 15.001 -7.993 -0.667 1.00 0.00 N ATOM 0 H ASN A 31 12.196 -7.670 -0.785 1.00 0.00 H new ATOM 0 HA ASN A 31 13.728 -5.526 -1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.032 -8.401 -2.506 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.849 -7.481 -3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.882 -8.117 -0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.116 -8.078 -0.168 1.00 0.00 H new ATOM 505 N MET A 32 11.079 -6.257 -3.659 1.00 0.00 N ATOM 506 CA MET A 32 10.210 -5.684 -4.717 1.00 0.00 C ATOM 507 C MET A 32 9.526 -4.428 -4.179 1.00 0.00 C ATOM 508 O MET A 32 9.415 -3.432 -4.866 1.00 0.00 O ATOM 509 CB MET A 32 9.187 -6.774 -5.033 1.00 0.00 C ATOM 510 CG MET A 32 9.597 -7.490 -6.321 1.00 0.00 C ATOM 511 SD MET A 32 10.228 -9.138 -5.921 1.00 0.00 S ATOM 512 CE MET A 32 11.077 -9.444 -7.489 1.00 0.00 C ATOM 0 H MET A 32 10.758 -7.140 -3.263 1.00 0.00 H new ATOM 0 HA MET A 32 10.764 -5.395 -5.610 1.00 0.00 H new ATOM 0 HB2 MET A 32 9.130 -7.486 -4.209 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.195 -6.337 -5.146 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.743 -7.569 -6.993 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.361 -6.913 -6.843 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.546 -10.216 -8.046 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.101 -8.525 -8.075 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.096 -9.776 -7.292 1.00 0.00 H new ATOM 522 N ILE A 33 9.083 -4.452 -2.947 1.00 0.00 N ATOM 523 CA ILE A 33 8.431 -3.236 -2.386 1.00 0.00 C ATOM 524 C ILE A 33 9.468 -2.133 -2.228 1.00 0.00 C ATOM 525 O ILE A 33 9.163 -0.968 -2.325 1.00 0.00 O ATOM 526 CB ILE A 33 7.869 -3.620 -1.026 1.00 0.00 C ATOM 527 CG1 ILE A 33 6.837 -4.733 -1.200 1.00 0.00 C ATOM 528 CG2 ILE A 33 7.197 -2.384 -0.411 1.00 0.00 C ATOM 529 CD1 ILE A 33 6.240 -5.089 0.159 1.00 0.00 C ATOM 0 H ILE A 33 9.144 -5.250 -2.315 1.00 0.00 H new ATOM 0 HA ILE A 33 7.640 -2.873 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 33 8.668 -3.973 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.050 -4.411 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.305 -5.611 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.788 -2.641 0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.933 -1.588 -0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.393 -2.045 -1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.503 -5.883 0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.032 -5.429 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.758 -4.210 0.586 1.00 0.00 H new ATOM 541 N LYS A 34 10.705 -2.486 -1.995 1.00 0.00 N ATOM 542 CA LYS A 34 11.753 -1.438 -1.854 1.00 0.00 C ATOM 543 C LYS A 34 11.732 -0.579 -3.120 1.00 0.00 C ATOM 544 O LYS A 34 11.761 0.637 -3.076 1.00 0.00 O ATOM 545 CB LYS A 34 13.075 -2.199 -1.731 1.00 0.00 C ATOM 546 CG LYS A 34 13.251 -2.696 -0.294 1.00 0.00 C ATOM 547 CD LYS A 34 14.523 -2.088 0.304 1.00 0.00 C ATOM 548 CE LYS A 34 15.127 -3.059 1.323 1.00 0.00 C ATOM 549 NZ LYS A 34 15.918 -2.200 2.247 1.00 0.00 N ATOM 0 H LYS A 34 11.031 -3.447 -1.897 1.00 0.00 H new ATOM 0 HA LYS A 34 11.604 -0.785 -0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.086 -3.042 -2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.906 -1.550 -2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.385 -2.418 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.313 -3.784 -0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.244 -1.879 -0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.292 -1.137 0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.350 -3.604 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.759 -3.801 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.364 -2.793 2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.654 -1.699 1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.289 -1.508 2.701 1.00 0.00 H new ATOM 563 N GLN A 35 11.643 -1.227 -4.250 1.00 0.00 N ATOM 564 CA GLN A 35 11.580 -0.489 -5.540 1.00 0.00 C ATOM 565 C GLN A 35 10.185 0.137 -5.698 1.00 0.00 C ATOM 566 O GLN A 35 10.054 1.314 -5.970 1.00 0.00 O ATOM 567 CB GLN A 35 11.835 -1.555 -6.607 1.00 0.00 C ATOM 568 CG GLN A 35 13.144 -1.245 -7.339 1.00 0.00 C ATOM 569 CD GLN A 35 13.799 -2.551 -7.792 1.00 0.00 C ATOM 570 OE1 GLN A 35 15.008 -2.672 -7.783 1.00 0.00 O ATOM 571 NE2 GLN A 35 13.049 -3.541 -8.191 1.00 0.00 N ATOM 0 H GLN A 35 11.611 -2.243 -4.333 1.00 0.00 H new ATOM 0 HA GLN A 35 12.303 0.324 -5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 35 11.889 -2.541 -6.145 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.007 -1.580 -7.316 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.949 -0.606 -8.200 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.819 -0.696 -6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.034 -3.441 -8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.478 -4.415 -8.495 1.00 0.00 H new ATOM 580 N ILE A 36 9.143 -0.634 -5.505 1.00 0.00 N ATOM 581 CA ILE A 36 7.763 -0.067 -5.619 1.00 0.00 C ATOM 582 C ILE A 36 7.622 1.110 -4.656 1.00 0.00 C ATOM 583 O ILE A 36 6.970 2.095 -4.936 1.00 0.00 O ATOM 584 CB ILE A 36 6.822 -1.185 -5.183 1.00 0.00 C ATOM 585 CG1 ILE A 36 6.936 -2.358 -6.146 1.00 0.00 C ATOM 586 CG2 ILE A 36 5.379 -0.673 -5.185 1.00 0.00 C ATOM 587 CD1 ILE A 36 6.198 -3.554 -5.561 1.00 0.00 C ATOM 0 H ILE A 36 9.187 -1.627 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 36 7.546 0.280 -6.629 1.00 0.00 H new ATOM 0 HB ILE A 36 7.095 -1.509 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.513 -2.092 -7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.984 -2.607 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.708 -1.474 -4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.289 0.165 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.111 -0.345 -6.189 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.275 -4.399 -6.245 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.642 -3.822 -4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.148 -3.299 -5.416 1.00 0.00 H new ATOM 599 N ASP A 37 8.227 0.985 -3.510 1.00 0.00 N ATOM 600 CA ASP A 37 8.150 2.051 -2.480 1.00 0.00 C ATOM 601 C ASP A 37 8.574 3.391 -3.081 1.00 0.00 C ATOM 602 O ASP A 37 7.884 4.385 -2.969 1.00 0.00 O ATOM 603 CB ASP A 37 9.141 1.618 -1.398 1.00 0.00 C ATOM 604 CG ASP A 37 9.232 2.697 -0.314 1.00 0.00 C ATOM 605 OD1 ASP A 37 8.476 3.652 -0.386 1.00 0.00 O ATOM 606 OD2 ASP A 37 10.058 2.550 0.572 1.00 0.00 O ATOM 0 H ASP A 37 8.782 0.173 -3.240 1.00 0.00 H new ATOM 0 HA ASP A 37 7.141 2.180 -2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.822 0.673 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.123 1.449 -1.839 1.00 0.00 H new ATOM 611 N ASP A 38 9.719 3.422 -3.707 1.00 0.00 N ATOM 612 CA ASP A 38 10.213 4.694 -4.310 1.00 0.00 C ATOM 613 C ASP A 38 9.483 5.007 -5.623 1.00 0.00 C ATOM 614 O ASP A 38 9.243 6.155 -5.946 1.00 0.00 O ATOM 615 CB ASP A 38 11.699 4.447 -4.573 1.00 0.00 C ATOM 616 CG ASP A 38 12.489 5.727 -4.296 1.00 0.00 C ATOM 617 OD1 ASP A 38 11.896 6.791 -4.363 1.00 0.00 O ATOM 618 OD2 ASP A 38 13.673 5.620 -4.023 1.00 0.00 O ATOM 0 H ASP A 38 10.336 2.619 -3.827 1.00 0.00 H new ATOM 0 HA ASP A 38 10.039 5.547 -3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.062 3.639 -3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.848 4.132 -5.606 1.00 0.00 H new ATOM 623 N THR A 39 9.135 4.007 -6.389 1.00 0.00 N ATOM 624 CA THR A 39 8.435 4.281 -7.682 1.00 0.00 C ATOM 625 C THR A 39 6.949 4.563 -7.453 1.00 0.00 C ATOM 626 O THR A 39 6.316 5.244 -8.236 1.00 0.00 O ATOM 627 CB THR A 39 8.650 3.038 -8.535 1.00 0.00 C ATOM 628 OG1 THR A 39 10.047 2.844 -8.719 1.00 0.00 O ATOM 629 CG2 THR A 39 7.987 3.238 -9.896 1.00 0.00 C ATOM 0 H THR A 39 9.302 3.023 -6.180 1.00 0.00 H new ATOM 0 HA THR A 39 8.829 5.169 -8.176 1.00 0.00 H new ATOM 0 HB THR A 39 8.214 2.169 -8.042 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.204 1.974 -9.142 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.139 2.350 -10.509 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.919 3.406 -9.759 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.429 4.102 -10.393 1.00 0.00 H new ATOM 637 N LEU A 40 6.383 4.074 -6.382 1.00 0.00 N ATOM 638 CA LEU A 40 4.943 4.357 -6.127 1.00 0.00 C ATOM 639 C LEU A 40 4.810 5.643 -5.302 1.00 0.00 C ATOM 640 O LEU A 40 3.861 6.388 -5.439 1.00 0.00 O ATOM 641 CB LEU A 40 4.394 3.127 -5.376 1.00 0.00 C ATOM 642 CG LEU A 40 4.764 3.169 -3.886 1.00 0.00 C ATOM 643 CD1 LEU A 40 3.755 4.041 -3.132 1.00 0.00 C ATOM 644 CD2 LEU A 40 4.722 1.751 -3.315 1.00 0.00 C ATOM 0 H LEU A 40 6.849 3.498 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 40 4.379 4.517 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.310 3.088 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.791 2.217 -5.826 1.00 0.00 H new ATOM 0 HG LEU A 40 5.765 3.585 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.018 4.070 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.773 5.052 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.755 3.622 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.984 1.777 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.718 1.342 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.434 1.122 -3.850 1.00 0.00 H new ATOM 656 N GLU A 41 5.764 5.907 -4.451 1.00 0.00 N ATOM 657 CA GLU A 41 5.701 7.143 -3.623 1.00 0.00 C ATOM 658 C GLU A 41 5.998 8.370 -4.488 1.00 0.00 C ATOM 659 O GLU A 41 5.619 9.478 -4.162 1.00 0.00 O ATOM 660 CB GLU A 41 6.783 6.963 -2.557 1.00 0.00 C ATOM 661 CG GLU A 41 6.772 8.167 -1.613 1.00 0.00 C ATOM 662 CD GLU A 41 8.113 8.256 -0.882 1.00 0.00 C ATOM 663 OE1 GLU A 41 8.368 7.404 -0.046 1.00 0.00 O ATOM 664 OE2 GLU A 41 8.862 9.174 -1.171 1.00 0.00 O ATOM 0 H GLU A 41 6.583 5.320 -4.294 1.00 0.00 H new ATOM 0 HA GLU A 41 4.717 7.295 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.607 6.045 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.761 6.866 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.592 9.082 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.959 8.070 -0.893 1.00 0.00 H new ATOM 671 N ASN A 42 6.675 8.184 -5.591 1.00 0.00 N ATOM 672 CA ASN A 42 6.994 9.342 -6.475 1.00 0.00 C ATOM 673 C ASN A 42 5.919 9.500 -7.557 1.00 0.00 C ATOM 674 O ASN A 42 5.662 10.588 -8.032 1.00 0.00 O ATOM 675 CB ASN A 42 8.345 8.999 -7.105 1.00 0.00 C ATOM 676 CG ASN A 42 9.469 9.424 -6.158 1.00 0.00 C ATOM 677 OD1 ASN A 42 9.398 9.189 -4.968 1.00 0.00 O ATOM 678 ND2 ASN A 42 10.512 10.045 -6.639 1.00 0.00 N ATOM 0 H ASN A 42 7.020 7.281 -5.917 1.00 0.00 H new ATOM 0 HA ASN A 42 7.027 10.283 -5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.406 7.929 -7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.451 9.506 -8.064 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.267 10.333 -6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.572 10.243 -7.638 1.00 0.00 H new ATOM 685 N ARG A 43 5.290 8.424 -7.951 1.00 0.00 N ATOM 686 CA ARG A 43 4.236 8.525 -9.003 1.00 0.00 C ATOM 687 C ARG A 43 2.843 8.542 -8.364 1.00 0.00 C ATOM 688 O ARG A 43 2.698 8.718 -7.170 1.00 0.00 O ATOM 689 CB ARG A 43 4.414 7.273 -9.863 1.00 0.00 C ATOM 690 CG ARG A 43 5.339 7.588 -11.042 1.00 0.00 C ATOM 691 CD ARG A 43 6.307 6.423 -11.259 1.00 0.00 C ATOM 692 NE ARG A 43 5.658 5.572 -12.296 1.00 0.00 N ATOM 693 CZ ARG A 43 6.390 4.954 -13.182 1.00 0.00 C ATOM 694 NH1 ARG A 43 7.064 5.638 -14.064 1.00 0.00 N ATOM 695 NH2 ARG A 43 6.448 3.650 -13.184 1.00 0.00 N ATOM 0 H ARG A 43 5.459 7.484 -7.592 1.00 0.00 H new ATOM 0 HA ARG A 43 4.326 9.440 -9.588 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.834 6.465 -9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.446 6.930 -10.228 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.751 7.758 -11.944 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.895 8.505 -10.846 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.282 6.777 -11.593 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.468 5.866 -10.336 1.00 0.00 H new ATOM 0 HE ARG A 43 4.643 5.473 -12.313 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.019 6.657 -14.062 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.636 5.154 -14.756 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.921 3.115 -12.493 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.020 3.166 -13.876 1.00 0.00 H new ATOM 709 N GLU A 44 1.816 8.360 -9.153 1.00 0.00 N ATOM 710 CA GLU A 44 0.433 8.367 -8.592 1.00 0.00 C ATOM 711 C GLU A 44 -0.248 7.017 -8.839 1.00 0.00 C ATOM 712 O GLU A 44 -0.798 6.414 -7.939 1.00 0.00 O ATOM 713 CB GLU A 44 -0.296 9.480 -9.344 1.00 0.00 C ATOM 714 CG GLU A 44 -0.601 10.631 -8.382 1.00 0.00 C ATOM 715 CD GLU A 44 0.660 11.472 -8.171 1.00 0.00 C ATOM 716 OE1 GLU A 44 1.731 11.003 -8.521 1.00 0.00 O ATOM 717 OE2 GLU A 44 0.533 12.572 -7.659 1.00 0.00 O ATOM 0 H GLU A 44 1.875 8.207 -10.160 1.00 0.00 H new ATOM 0 HA GLU A 44 0.428 8.532 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.317 9.836 -10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.221 9.097 -9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.401 11.252 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.952 10.238 -7.428 1.00 0.00 H new ATOM 724 N LEU A 45 -0.213 6.537 -10.053 1.00 0.00 N ATOM 725 CA LEU A 45 -0.854 5.225 -10.357 1.00 0.00 C ATOM 726 C LEU A 45 0.222 4.171 -10.588 1.00 0.00 C ATOM 727 O LEU A 45 1.120 4.354 -11.386 1.00 0.00 O ATOM 728 CB LEU A 45 -1.659 5.452 -11.637 1.00 0.00 C ATOM 729 CG LEU A 45 -2.435 4.179 -12.013 1.00 0.00 C ATOM 730 CD1 LEU A 45 -3.251 3.688 -10.820 1.00 0.00 C ATOM 731 CD2 LEU A 45 -3.393 4.506 -13.160 1.00 0.00 C ATOM 0 H LEU A 45 0.232 6.997 -10.847 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.487 4.875 -9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.353 6.281 -11.496 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.990 5.732 -12.451 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.729 3.404 -12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.796 2.786 -11.098 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.582 3.466 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.958 4.461 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.949 3.610 -13.436 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.089 5.282 -12.843 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.824 4.859 -14.020 1.00 0.00 H new ATOM 743 N ILE A 46 0.150 3.073 -9.894 1.00 0.00 N ATOM 744 CA ILE A 46 1.186 2.021 -10.079 1.00 0.00 C ATOM 745 C ILE A 46 0.549 0.637 -10.207 1.00 0.00 C ATOM 746 O ILE A 46 -0.112 0.152 -9.311 1.00 0.00 O ATOM 747 CB ILE A 46 2.084 2.086 -8.837 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.227 2.192 -7.568 1.00 0.00 C ATOM 749 CG2 ILE A 46 3.004 3.306 -8.940 1.00 0.00 C ATOM 750 CD1 ILE A 46 1.889 1.406 -6.435 1.00 0.00 C ATOM 0 H ILE A 46 -0.576 2.858 -9.211 1.00 0.00 H new ATOM 0 HA ILE A 46 1.754 2.189 -10.994 1.00 0.00 H new ATOM 0 HB ILE A 46 2.683 1.177 -8.782 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.112 3.237 -7.281 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.227 1.802 -7.759 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.643 3.355 -8.059 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.623 3.221 -9.833 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.401 4.212 -9.002 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.279 1.482 -5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.981 0.359 -6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.880 1.816 -6.238 1.00 0.00 H new ATOM 762 N LYS A 47 0.802 -0.018 -11.303 1.00 0.00 N ATOM 763 CA LYS A 47 0.276 -1.408 -11.492 1.00 0.00 C ATOM 764 C LYS A 47 1.363 -2.343 -10.959 1.00 0.00 C ATOM 765 O LYS A 47 2.528 -2.074 -11.149 1.00 0.00 O ATOM 766 CB LYS A 47 0.052 -1.695 -13.005 1.00 0.00 C ATOM 767 CG LYS A 47 0.453 -0.528 -13.916 1.00 0.00 C ATOM 768 CD LYS A 47 -0.546 0.626 -13.752 1.00 0.00 C ATOM 769 CE LYS A 47 0.159 1.946 -13.363 1.00 0.00 C ATOM 770 NZ LYS A 47 1.479 1.976 -14.066 1.00 0.00 N ATOM 0 H LYS A 47 1.351 0.345 -12.082 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.675 -1.545 -10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.624 -2.579 -13.287 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.000 -1.930 -13.170 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.459 -0.189 -13.667 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.476 -0.857 -14.955 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.094 0.768 -14.684 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.279 0.366 -12.988 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.448 2.804 -13.651 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.298 2.002 -12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.786 2.962 -14.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.184 1.460 -13.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.386 1.526 -14.999 1.00 0.00 H new ATOM 784 N VAL A 48 1.047 -3.395 -10.261 1.00 0.00 N ATOM 785 CA VAL A 48 2.140 -4.245 -9.738 1.00 0.00 C ATOM 786 C VAL A 48 1.926 -5.719 -10.124 1.00 0.00 C ATOM 787 O VAL A 48 0.915 -6.304 -9.829 1.00 0.00 O ATOM 788 CB VAL A 48 2.046 -4.031 -8.227 1.00 0.00 C ATOM 789 CG1 VAL A 48 2.853 -5.089 -7.499 1.00 0.00 C ATOM 790 CG2 VAL A 48 2.583 -2.643 -7.872 1.00 0.00 C ATOM 0 H VAL A 48 0.099 -3.696 -10.035 1.00 0.00 H new ATOM 0 HA VAL A 48 3.121 -3.990 -10.139 1.00 0.00 H new ATOM 0 HB VAL A 48 1.002 -4.108 -7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.779 -4.927 -6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.463 -6.077 -7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.897 -5.024 -7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.516 -2.491 -6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.624 -2.565 -8.185 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.992 -1.883 -8.383 1.00 0.00 H new ATOM 800 N HIS A 49 2.884 -6.325 -10.774 1.00 0.00 N ATOM 801 CA HIS A 49 2.720 -7.757 -11.168 1.00 0.00 C ATOM 802 C HIS A 49 3.200 -8.685 -10.050 1.00 0.00 C ATOM 803 O HIS A 49 4.319 -8.596 -9.590 1.00 0.00 O ATOM 804 CB HIS A 49 3.596 -7.930 -12.409 1.00 0.00 C ATOM 805 CG HIS A 49 3.354 -9.289 -13.005 1.00 0.00 C ATOM 806 ND1 HIS A 49 3.563 -10.556 -12.518 1.00 0.00 N flip ATOM 807 CD2 HIS A 49 2.817 -9.454 -14.272 1.00 0.00 C flip ATOM 808 CE1 HIS A 49 3.163 -11.493 -13.466 1.00 0.00 C flip ATOM 809 NE2 HIS A 49 2.721 -10.776 -14.503 1.00 0.00 N flip ATOM 0 H HIS A 49 3.767 -5.895 -11.048 1.00 0.00 H new ATOM 0 HA HIS A 49 1.676 -8.007 -11.359 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.368 -7.154 -13.140 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.647 -7.819 -12.144 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.528 -8.665 -14.950 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.202 -12.569 -13.382 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.355 -11.181 -15.365 1.00 0.00 H new ATOM 817 N VAL A 50 2.355 -9.581 -9.615 1.00 0.00 N ATOM 818 CA VAL A 50 2.750 -10.527 -8.531 1.00 0.00 C ATOM 819 C VAL A 50 2.791 -11.947 -9.074 1.00 0.00 C ATOM 820 O VAL A 50 1.915 -12.379 -9.797 1.00 0.00 O ATOM 821 CB VAL A 50 1.664 -10.376 -7.462 1.00 0.00 C ATOM 822 CG1 VAL A 50 1.922 -11.354 -6.314 1.00 0.00 C ATOM 823 CG2 VAL A 50 1.678 -8.944 -6.925 1.00 0.00 C ATOM 0 H VAL A 50 1.404 -9.699 -9.965 1.00 0.00 H new ATOM 0 HA VAL A 50 3.741 -10.317 -8.128 1.00 0.00 H new ATOM 0 HB VAL A 50 0.692 -10.594 -7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.145 -11.240 -5.558 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.910 -12.375 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.895 -11.144 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.906 -8.833 -6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.653 -8.729 -6.487 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.485 -8.248 -7.741 1.00 0.00 H new ATOM 833 N LEU A 51 3.824 -12.665 -8.753 1.00 0.00 N ATOM 834 CA LEU A 51 3.956 -14.042 -9.267 1.00 0.00 C ATOM 835 C LEU A 51 3.299 -15.062 -8.331 1.00 0.00 C ATOM 836 O LEU A 51 3.780 -16.166 -8.169 1.00 0.00 O ATOM 837 CB LEU A 51 5.455 -14.260 -9.337 1.00 0.00 C ATOM 838 CG LEU A 51 5.929 -14.097 -10.783 1.00 0.00 C ATOM 839 CD1 LEU A 51 5.231 -15.132 -11.668 1.00 0.00 C ATOM 840 CD2 LEU A 51 5.584 -12.689 -11.277 1.00 0.00 C ATOM 0 H LEU A 51 4.586 -12.351 -8.152 1.00 0.00 H new ATOM 0 HA LEU A 51 3.460 -14.172 -10.229 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.967 -13.545 -8.693 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.706 -15.256 -8.971 1.00 0.00 H new ATOM 0 HG LEU A 51 7.008 -14.246 -10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.568 -15.016 -12.698 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.475 -16.135 -11.317 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.152 -14.983 -11.620 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.921 -12.572 -12.307 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.505 -12.541 -11.229 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.080 -11.951 -10.647 1.00 0.00 H new ATOM 852 N GLN A 52 2.197 -14.713 -7.730 1.00 0.00 N ATOM 853 CA GLN A 52 1.512 -15.678 -6.823 1.00 0.00 C ATOM 854 C GLN A 52 0.724 -16.697 -7.653 1.00 0.00 C ATOM 855 O GLN A 52 0.426 -17.786 -7.200 1.00 0.00 O ATOM 856 CB GLN A 52 0.567 -14.825 -5.974 1.00 0.00 C ATOM 857 CG GLN A 52 0.921 -14.987 -4.494 1.00 0.00 C ATOM 858 CD GLN A 52 0.825 -16.464 -4.102 1.00 0.00 C ATOM 859 OE1 GLN A 52 -0.246 -17.038 -4.112 1.00 0.00 O ATOM 860 NE2 GLN A 52 1.906 -17.106 -3.756 1.00 0.00 N ATOM 0 H GLN A 52 1.741 -13.805 -7.826 1.00 0.00 H new ATOM 0 HA GLN A 52 2.212 -16.240 -6.204 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.646 -13.777 -6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.466 -15.127 -6.147 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.929 -14.616 -4.308 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.244 -14.393 -3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.805 -16.624 -3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.853 -18.090 -3.494 1.00 0.00 H new ATOM 869 N ASN A 53 0.385 -16.349 -8.869 1.00 0.00 N ATOM 870 CA ASN A 53 -0.383 -17.287 -9.746 1.00 0.00 C ATOM 871 C ASN A 53 -1.718 -17.671 -9.096 1.00 0.00 C ATOM 872 O ASN A 53 -2.358 -18.623 -9.495 1.00 0.00 O ATOM 873 CB ASN A 53 0.509 -18.519 -9.903 1.00 0.00 C ATOM 874 CG ASN A 53 0.669 -18.848 -11.388 1.00 0.00 C ATOM 875 OD1 ASN A 53 1.575 -18.361 -12.036 1.00 0.00 O ATOM 876 ND2 ASN A 53 -0.178 -19.660 -11.960 1.00 0.00 N ATOM 0 H ASN A 53 0.609 -15.450 -9.295 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.623 -16.832 -10.707 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.485 -18.334 -9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.071 -19.367 -9.377 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.079 -19.885 -12.950 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.938 -20.069 -11.417 1.00 0.00 H new ATOM 883 N ASN A 54 -2.146 -16.940 -8.105 1.00 0.00 N ATOM 884 CA ASN A 54 -3.440 -17.266 -7.444 1.00 0.00 C ATOM 885 C ASN A 54 -4.357 -16.039 -7.461 1.00 0.00 C ATOM 886 O ASN A 54 -3.900 -14.913 -7.495 1.00 0.00 O ATOM 887 CB ASN A 54 -3.063 -17.648 -6.014 1.00 0.00 C ATOM 888 CG ASN A 54 -4.272 -18.263 -5.307 1.00 0.00 C ATOM 889 OD1 ASN A 54 -5.396 -17.875 -5.549 1.00 0.00 O ATOM 890 ND2 ASN A 54 -4.086 -19.215 -4.434 1.00 0.00 N ATOM 0 H ASN A 54 -1.656 -16.131 -7.724 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.980 -18.069 -7.946 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.236 -18.358 -6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.721 -16.767 -5.470 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.885 -19.632 -3.956 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.142 -19.542 -4.230 1.00 0.00 H new ATOM 897 N PHE A 55 -5.644 -16.243 -7.449 1.00 0.00 N ATOM 898 CA PHE A 55 -6.580 -15.082 -7.480 1.00 0.00 C ATOM 899 C PHE A 55 -6.840 -14.544 -6.069 1.00 0.00 C ATOM 900 O PHE A 55 -6.604 -13.384 -5.789 1.00 0.00 O ATOM 901 CB PHE A 55 -7.868 -15.632 -8.091 1.00 0.00 C ATOM 902 CG PHE A 55 -7.984 -15.163 -9.522 1.00 0.00 C ATOM 903 CD1 PHE A 55 -8.365 -13.844 -9.796 1.00 0.00 C ATOM 904 CD2 PHE A 55 -7.709 -16.046 -10.573 1.00 0.00 C ATOM 905 CE1 PHE A 55 -8.471 -13.409 -11.123 1.00 0.00 C ATOM 906 CE2 PHE A 55 -7.815 -15.610 -11.898 1.00 0.00 C ATOM 907 CZ PHE A 55 -8.196 -14.291 -12.174 1.00 0.00 C ATOM 0 H PHE A 55 -6.089 -17.160 -7.419 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.173 -14.249 -8.053 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.866 -16.721 -8.053 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.730 -15.295 -7.515 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.577 -13.163 -8.985 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.415 -17.063 -10.361 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.765 -12.392 -11.335 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.603 -16.291 -12.709 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.278 -13.955 -13.197 1.00 0.00 H new ATOM 917 N ASP A 56 -7.334 -15.363 -5.180 1.00 0.00 N ATOM 918 CA ASP A 56 -7.616 -14.870 -3.797 1.00 0.00 C ATOM 919 C ASP A 56 -6.327 -14.565 -3.037 1.00 0.00 C ATOM 920 O ASP A 56 -6.342 -13.984 -1.968 1.00 0.00 O ATOM 921 CB ASP A 56 -8.398 -15.992 -3.118 1.00 0.00 C ATOM 922 CG ASP A 56 -9.656 -16.303 -3.930 1.00 0.00 C ATOM 923 OD1 ASP A 56 -10.626 -15.577 -3.784 1.00 0.00 O ATOM 924 OD2 ASP A 56 -9.628 -17.261 -4.684 1.00 0.00 O ATOM 0 H ASP A 56 -7.554 -16.345 -5.347 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.178 -13.936 -3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.777 -16.884 -3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.670 -15.698 -2.104 1.00 0.00 H new ATOM 929 N ASP A 57 -5.216 -14.931 -3.583 1.00 0.00 N ATOM 930 CA ASP A 57 -3.923 -14.649 -2.901 1.00 0.00 C ATOM 931 C ASP A 57 -3.392 -13.295 -3.364 1.00 0.00 C ATOM 932 O ASP A 57 -3.010 -12.462 -2.567 1.00 0.00 O ATOM 933 CB ASP A 57 -2.983 -15.772 -3.329 1.00 0.00 C ATOM 934 CG ASP A 57 -2.110 -16.191 -2.146 1.00 0.00 C ATOM 935 OD1 ASP A 57 -1.282 -15.393 -1.735 1.00 0.00 O ATOM 936 OD2 ASP A 57 -2.281 -17.301 -1.671 1.00 0.00 O ATOM 0 H ASP A 57 -5.139 -15.416 -4.477 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.022 -14.609 -1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.559 -16.625 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.356 -15.439 -4.156 1.00 0.00 H new ATOM 941 N LYS A 58 -3.384 -13.059 -4.651 1.00 0.00 N ATOM 942 CA LYS A 58 -2.898 -11.745 -5.160 1.00 0.00 C ATOM 943 C LYS A 58 -3.644 -10.622 -4.441 1.00 0.00 C ATOM 944 O LYS A 58 -3.080 -9.602 -4.098 1.00 0.00 O ATOM 945 CB LYS A 58 -3.229 -11.747 -6.651 1.00 0.00 C ATOM 946 CG LYS A 58 -2.041 -12.301 -7.438 1.00 0.00 C ATOM 947 CD LYS A 58 -2.405 -12.384 -8.921 1.00 0.00 C ATOM 948 CE LYS A 58 -1.685 -13.577 -9.555 1.00 0.00 C ATOM 949 NZ LYS A 58 -2.746 -14.318 -10.293 1.00 0.00 N ATOM 0 H LYS A 58 -3.692 -13.717 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.832 -11.592 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.116 -12.353 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.459 -10.735 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.170 -11.660 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.771 -13.288 -7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.483 -12.493 -9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.121 -11.462 -9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.892 -13.248 -10.227 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.219 -14.206 -8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.312 -15.081 -10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.421 -14.726 -9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.247 -13.665 -10.929 1.00 0.00 H new ATOM 963 N LYS A 59 -4.912 -10.817 -4.193 1.00 0.00 N ATOM 964 CA LYS A 59 -5.697 -9.778 -3.474 1.00 0.00 C ATOM 965 C LYS A 59 -5.187 -9.670 -2.037 1.00 0.00 C ATOM 966 O LYS A 59 -4.856 -8.600 -1.565 1.00 0.00 O ATOM 967 CB LYS A 59 -7.142 -10.277 -3.504 1.00 0.00 C ATOM 968 CG LYS A 59 -8.086 -9.111 -3.205 1.00 0.00 C ATOM 969 CD LYS A 59 -9.492 -9.647 -2.929 1.00 0.00 C ATOM 970 CE LYS A 59 -9.466 -10.528 -1.678 1.00 0.00 C ATOM 971 NZ LYS A 59 -10.394 -9.864 -0.720 1.00 0.00 N ATOM 0 H LYS A 59 -5.436 -11.651 -4.458 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.610 -8.790 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.371 -10.704 -4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.280 -11.070 -2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.725 -8.549 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.108 -8.422 -4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.187 -8.819 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.848 -10.222 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.792 -11.543 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.459 -10.600 -1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.430 -10.410 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.055 -8.902 -0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.346 -9.816 -1.136 1.00 0.00 H new ATOM 985 N GLU A 60 -5.097 -10.775 -1.340 1.00 0.00 N ATOM 986 CA GLU A 60 -4.580 -10.723 0.057 1.00 0.00 C ATOM 987 C GLU A 60 -3.184 -10.100 0.049 1.00 0.00 C ATOM 988 O GLU A 60 -2.831 -9.325 0.918 1.00 0.00 O ATOM 989 CB GLU A 60 -4.523 -12.179 0.525 1.00 0.00 C ATOM 990 CG GLU A 60 -4.553 -12.223 2.055 1.00 0.00 C ATOM 991 CD GLU A 60 -5.076 -13.585 2.517 1.00 0.00 C ATOM 992 OE1 GLU A 60 -4.344 -14.553 2.389 1.00 0.00 O ATOM 993 OE2 GLU A 60 -6.199 -13.637 2.991 1.00 0.00 O ATOM 0 H GLU A 60 -5.357 -11.702 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.206 -10.123 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.366 -12.737 0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.616 -12.656 0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.553 -12.051 2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.191 -11.427 2.440 1.00 0.00 H new ATOM 1000 N LEU A 61 -2.389 -10.404 -0.945 1.00 0.00 N ATOM 1001 CA LEU A 61 -1.035 -9.792 -1.006 1.00 0.00 C ATOM 1002 C LEU A 61 -1.198 -8.274 -1.011 1.00 0.00 C ATOM 1003 O LEU A 61 -0.461 -7.558 -0.364 1.00 0.00 O ATOM 1004 CB LEU A 61 -0.414 -10.294 -2.313 1.00 0.00 C ATOM 1005 CG LEU A 61 0.453 -11.524 -2.021 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -0.443 -12.753 -1.858 1.00 0.00 C ATOM 1007 CD2 LEU A 61 1.430 -11.760 -3.177 1.00 0.00 C ATOM 0 H LEU A 61 -2.618 -11.042 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.400 -10.056 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.197 -10.548 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.190 -9.509 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 61 1.015 -11.354 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.173 -13.628 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.135 -12.592 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.007 -12.916 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.043 -12.636 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.871 -11.925 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.073 -10.887 -3.294 1.00 0.00 H new ATOM 1019 N ALA A 62 -2.192 -7.777 -1.701 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.415 -6.308 -1.695 1.00 0.00 C ATOM 1021 C ALA A 62 -2.680 -5.872 -0.261 1.00 0.00 C ATOM 1022 O ALA A 62 -2.352 -4.779 0.136 1.00 0.00 O ATOM 1023 CB ALA A 62 -3.640 -6.060 -2.567 1.00 0.00 C ATOM 0 H ALA A 62 -2.849 -8.320 -2.261 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.559 -5.750 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.853 -4.992 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.447 -6.423 -3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.497 -6.588 -2.149 1.00 0.00 H new ATOM 1029 N GLU A 63 -3.250 -6.734 0.538 1.00 0.00 N ATOM 1030 CA GLU A 63 -3.489 -6.360 1.957 1.00 0.00 C ATOM 1031 C GLU A 63 -2.148 -6.029 2.594 1.00 0.00 C ATOM 1032 O GLU A 63 -2.024 -5.170 3.445 1.00 0.00 O ATOM 1033 CB GLU A 63 -4.126 -7.591 2.605 1.00 0.00 C ATOM 1034 CG GLU A 63 -5.315 -7.161 3.463 1.00 0.00 C ATOM 1035 CD GLU A 63 -5.542 -8.188 4.573 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -5.604 -9.366 4.260 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -5.652 -7.780 5.718 1.00 0.00 O ATOM 0 H GLU A 63 -3.556 -7.670 0.272 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.137 -5.492 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.454 -8.291 1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.392 -8.113 3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.128 -6.178 3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.209 -7.073 2.846 1.00 0.00 H new ATOM 1044 N THR A 64 -1.144 -6.698 2.139 1.00 0.00 N ATOM 1045 CA THR A 64 0.234 -6.455 2.647 1.00 0.00 C ATOM 1046 C THR A 64 0.874 -5.310 1.861 1.00 0.00 C ATOM 1047 O THR A 64 1.525 -4.448 2.416 1.00 0.00 O ATOM 1048 CB THR A 64 0.992 -7.759 2.392 1.00 0.00 C ATOM 1049 OG1 THR A 64 0.313 -8.834 3.026 1.00 0.00 O ATOM 1050 CG2 THR A 64 2.410 -7.646 2.950 1.00 0.00 C ATOM 0 H THR A 64 -1.213 -7.420 1.422 1.00 0.00 H new ATOM 0 HA THR A 64 0.246 -6.180 3.702 1.00 0.00 H new ATOM 0 HB THR A 64 1.042 -7.945 1.319 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.798 -9.670 2.861 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.948 -8.576 2.767 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.930 -6.823 2.459 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.365 -7.458 4.023 1.00 0.00 H new ATOM 1058 N LEU A 65 0.689 -5.294 0.566 1.00 0.00 N ATOM 1059 CA LEU A 65 1.286 -4.202 -0.254 1.00 0.00 C ATOM 1060 C LEU A 65 0.525 -2.899 -0.018 1.00 0.00 C ATOM 1061 O LEU A 65 1.106 -1.886 0.300 1.00 0.00 O ATOM 1062 CB LEU A 65 1.128 -4.660 -1.701 1.00 0.00 C ATOM 1063 CG LEU A 65 2.319 -5.533 -2.088 1.00 0.00 C ATOM 1064 CD1 LEU A 65 1.998 -6.295 -3.375 1.00 0.00 C ATOM 1065 CD2 LEU A 65 3.541 -4.646 -2.313 1.00 0.00 C ATOM 0 H LEU A 65 0.153 -5.987 0.044 1.00 0.00 H new ATOM 0 HA LEU A 65 2.329 -4.015 -0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.200 -5.219 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.066 -3.796 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 65 2.525 -6.245 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.849 -6.918 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.123 -6.925 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.793 -5.585 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.394 -5.265 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.333 -3.936 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.770 -4.102 -1.396 1.00 0.00 H new ATOM 1077 N SER A 66 -0.773 -2.916 -0.153 1.00 0.00 N ATOM 1078 CA SER A 66 -1.557 -1.671 0.087 1.00 0.00 C ATOM 1079 C SER A 66 -1.256 -1.126 1.487 1.00 0.00 C ATOM 1080 O SER A 66 -1.000 0.048 1.663 1.00 0.00 O ATOM 1081 CB SER A 66 -3.022 -2.093 -0.020 1.00 0.00 C ATOM 1082 OG SER A 66 -3.855 -0.968 0.228 1.00 0.00 O ATOM 0 H SER A 66 -1.322 -3.734 -0.418 1.00 0.00 H new ATOM 0 HA SER A 66 -1.311 -0.883 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.224 -2.498 -1.012 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.238 -2.885 0.698 1.00 0.00 H new ATOM 0 HG SER A 66 -4.795 -1.235 0.158 1.00 0.00 H new ATOM 1088 N GLU A 67 -1.283 -1.970 2.486 1.00 0.00 N ATOM 1089 CA GLU A 67 -0.993 -1.493 3.870 1.00 0.00 C ATOM 1090 C GLU A 67 0.429 -0.926 3.946 1.00 0.00 C ATOM 1091 O GLU A 67 0.697 0.009 4.676 1.00 0.00 O ATOM 1092 CB GLU A 67 -1.128 -2.734 4.752 1.00 0.00 C ATOM 1093 CG GLU A 67 -2.610 -3.055 4.966 1.00 0.00 C ATOM 1094 CD GLU A 67 -2.745 -4.208 5.962 1.00 0.00 C ATOM 1095 OE1 GLU A 67 -1.814 -4.424 6.719 1.00 0.00 O ATOM 1096 OE2 GLU A 67 -3.780 -4.856 5.949 1.00 0.00 O ATOM 0 H GLU A 67 -1.492 -2.965 2.403 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.668 -0.697 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.626 -3.581 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.640 -2.565 5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.133 -2.175 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.075 -3.324 4.018 1.00 0.00 H new ATOM 1103 N ALA A 68 1.341 -1.483 3.197 1.00 0.00 N ATOM 1104 CA ALA A 68 2.744 -0.974 3.222 1.00 0.00 C ATOM 1105 C ALA A 68 2.883 0.222 2.276 1.00 0.00 C ATOM 1106 O ALA A 68 3.379 1.269 2.646 1.00 0.00 O ATOM 1107 CB ALA A 68 3.595 -2.147 2.734 1.00 0.00 C ATOM 0 H ALA A 68 1.176 -2.269 2.568 1.00 0.00 H new ATOM 0 HA ALA A 68 3.048 -0.634 4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.645 -1.855 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.462 -2.996 3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.285 -2.427 1.727 1.00 0.00 H new ATOM 1113 N THR A 69 2.440 0.073 1.059 1.00 0.00 N ATOM 1114 CA THR A 69 2.529 1.192 0.077 1.00 0.00 C ATOM 1115 C THR A 69 1.704 2.389 0.557 1.00 0.00 C ATOM 1116 O THR A 69 1.833 3.483 0.046 1.00 0.00 O ATOM 1117 CB THR A 69 1.944 0.620 -1.216 1.00 0.00 C ATOM 1118 OG1 THR A 69 0.639 0.121 -0.959 1.00 0.00 O ATOM 1119 CG2 THR A 69 2.838 -0.513 -1.720 1.00 0.00 C ATOM 0 H THR A 69 2.017 -0.782 0.699 1.00 0.00 H new ATOM 0 HA THR A 69 3.551 1.548 -0.055 1.00 0.00 H new ATOM 0 HB THR A 69 1.891 1.402 -1.974 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.027 0.430 -1.659 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.423 -0.922 -2.641 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.839 -0.128 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.890 -1.298 -0.966 1.00 0.00 H new ATOM 1127 N ARG A 70 0.849 2.195 1.527 1.00 0.00 N ATOM 1128 CA ARG A 70 0.016 3.327 2.025 1.00 0.00 C ATOM 1129 C ARG A 70 -0.739 3.964 0.858 1.00 0.00 C ATOM 1130 O ARG A 70 -0.846 5.170 0.754 1.00 0.00 O ATOM 1131 CB ARG A 70 1.008 4.319 2.633 1.00 0.00 C ATOM 1132 CG ARG A 70 0.850 4.327 4.154 1.00 0.00 C ATOM 1133 CD ARG A 70 1.895 5.256 4.773 1.00 0.00 C ATOM 1134 NE ARG A 70 1.138 6.079 5.756 1.00 0.00 N ATOM 1135 CZ ARG A 70 1.779 6.830 6.608 1.00 0.00 C ATOM 1136 NH1 ARG A 70 2.854 6.379 7.194 1.00 0.00 N ATOM 1137 NH2 ARG A 70 1.344 8.031 6.878 1.00 0.00 N ATOM 0 H ARG A 70 0.692 1.302 1.995 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.728 3.008 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.027 4.042 2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.832 5.318 2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.152 4.659 4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.968 3.317 4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.689 4.690 5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.368 5.881 4.015 1.00 0.00 H new ATOM 0 HE ARG A 70 0.118 6.055 5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.193 5.440 6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.356 6.966 7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.502 8.383 6.422 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.846 8.617 7.545 1.00 0.00 H new ATOM 1151 N SER A 71 -1.258 3.154 -0.021 1.00 0.00 N ATOM 1152 CA SER A 71 -2.008 3.691 -1.192 1.00 0.00 C ATOM 1153 C SER A 71 -3.415 3.089 -1.226 1.00 0.00 C ATOM 1154 O SER A 71 -3.887 2.552 -0.245 1.00 0.00 O ATOM 1155 CB SER A 71 -1.198 3.238 -2.398 1.00 0.00 C ATOM 1156 OG SER A 71 -0.770 1.898 -2.193 1.00 0.00 O ATOM 0 H SER A 71 -1.195 2.137 0.021 1.00 0.00 H new ATOM 0 HA SER A 71 -2.128 4.774 -1.162 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.801 3.306 -3.303 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.337 3.891 -2.539 1.00 0.00 H new ATOM 0 HG SER A 71 -1.492 1.384 -1.775 1.00 0.00 H new ATOM 1162 N GLU A 72 -4.095 3.170 -2.341 1.00 0.00 N ATOM 1163 CA GLU A 72 -5.470 2.595 -2.398 1.00 0.00 C ATOM 1164 C GLU A 72 -5.652 1.690 -3.621 1.00 0.00 C ATOM 1165 O GLU A 72 -5.645 2.142 -4.748 1.00 0.00 O ATOM 1166 CB GLU A 72 -6.408 3.806 -2.476 1.00 0.00 C ATOM 1167 CG GLU A 72 -6.726 4.295 -1.061 1.00 0.00 C ATOM 1168 CD GLU A 72 -6.150 5.697 -0.861 1.00 0.00 C ATOM 1169 OE1 GLU A 72 -6.406 6.545 -1.700 1.00 0.00 O ATOM 1170 OE2 GLU A 72 -5.465 5.900 0.128 1.00 0.00 O ATOM 0 H GLU A 72 -3.763 3.603 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.675 1.969 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.941 4.605 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.328 3.535 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.805 4.308 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.305 3.610 -0.325 1.00 0.00 H new ATOM 1177 N LEU A 73 -5.818 0.408 -3.404 1.00 0.00 N ATOM 1178 CA LEU A 73 -6.000 -0.531 -4.538 1.00 0.00 C ATOM 1179 C LEU A 73 -7.241 -0.197 -5.356 1.00 0.00 C ATOM 1180 O LEU A 73 -8.343 -0.523 -4.956 1.00 0.00 O ATOM 1181 CB LEU A 73 -6.260 -1.883 -3.861 1.00 0.00 C ATOM 1182 CG LEU A 73 -5.309 -2.951 -4.372 1.00 0.00 C ATOM 1183 CD1 LEU A 73 -5.895 -4.323 -4.041 1.00 0.00 C ATOM 1184 CD2 LEU A 73 -5.150 -2.877 -5.894 1.00 0.00 C ATOM 0 H LEU A 73 -5.834 -0.025 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.139 -0.502 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.147 -1.779 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.289 -2.192 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.339 -2.794 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.223 -5.102 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.014 -4.417 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.867 -4.430 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.463 -3.655 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.120 -3.023 -6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.754 -1.900 -6.171 1.00 0.00 H new ATOM 1196 N VAL A 74 -7.094 0.369 -6.522 1.00 0.00 N ATOM 1197 CA VAL A 74 -8.312 0.594 -7.329 1.00 0.00 C ATOM 1198 C VAL A 74 -8.743 -0.790 -7.819 1.00 0.00 C ATOM 1199 O VAL A 74 -9.911 -1.086 -7.941 1.00 0.00 O ATOM 1200 CB VAL A 74 -7.944 1.545 -8.474 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -7.363 2.831 -7.907 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -6.909 0.916 -9.378 1.00 0.00 C ATOM 0 H VAL A 74 -6.213 0.674 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.135 1.053 -6.781 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.849 1.754 -9.045 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.103 3.504 -8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.100 3.310 -7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.469 2.602 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.662 1.607 -10.184 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.011 0.693 -8.803 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.307 -0.006 -9.800 1.00 0.00 H new ATOM 1212 N GLN A 75 -7.796 -1.682 -8.034 1.00 0.00 N ATOM 1213 CA GLN A 75 -8.173 -3.074 -8.442 1.00 0.00 C ATOM 1214 C GLN A 75 -6.989 -3.950 -8.748 1.00 0.00 C ATOM 1215 O GLN A 75 -5.858 -3.584 -8.603 1.00 0.00 O ATOM 1216 CB GLN A 75 -9.087 -2.951 -9.665 1.00 0.00 C ATOM 1217 CG GLN A 75 -10.511 -3.353 -9.277 1.00 0.00 C ATOM 1218 CD GLN A 75 -10.728 -4.835 -9.590 1.00 0.00 C ATOM 1219 OE1 GLN A 75 -9.999 -5.682 -9.112 1.00 0.00 O ATOM 1220 NE2 GLN A 75 -11.707 -5.188 -10.378 1.00 0.00 N ATOM 0 H GLN A 75 -6.795 -1.507 -7.945 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.678 -3.562 -7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.076 -1.928 -10.040 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.724 -3.590 -10.470 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.676 -3.167 -8.216 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.233 -2.746 -9.823 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.320 -4.478 -10.780 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.859 -6.174 -10.592 1.00 0.00 H new ATOM 1229 N VAL A 76 -7.283 -5.154 -9.104 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.227 -6.144 -9.385 1.00 0.00 C ATOM 1231 C VAL A 76 -6.424 -6.704 -10.807 1.00 0.00 C ATOM 1232 O VAL A 76 -7.409 -7.355 -11.094 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.450 -7.172 -8.262 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -6.358 -8.614 -8.780 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.388 -6.966 -7.180 1.00 0.00 C ATOM 0 H VAL A 76 -8.235 -5.503 -9.215 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.203 -5.771 -9.383 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.452 -7.020 -7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.521 -9.308 -7.955 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.117 -8.775 -9.545 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.370 -8.785 -9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.539 -7.691 -6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.397 -7.103 -7.612 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.471 -5.957 -6.776 1.00 0.00 H new ATOM 1245 N ILE A 77 -5.503 -6.450 -11.693 1.00 0.00 N ATOM 1246 CA ILE A 77 -5.641 -6.956 -13.080 1.00 0.00 C ATOM 1247 C ILE A 77 -4.950 -8.323 -13.220 1.00 0.00 C ATOM 1248 O ILE A 77 -3.751 -8.408 -13.387 1.00 0.00 O ATOM 1249 CB ILE A 77 -4.942 -5.878 -13.916 1.00 0.00 C ATOM 1250 CG1 ILE A 77 -5.875 -4.673 -14.068 1.00 0.00 C ATOM 1251 CG2 ILE A 77 -4.588 -6.418 -15.298 1.00 0.00 C ATOM 1252 CD1 ILE A 77 -7.146 -5.102 -14.802 1.00 0.00 C ATOM 0 H ILE A 77 -4.657 -5.910 -11.512 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.674 -7.117 -13.389 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.024 -5.580 -13.409 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.127 -4.269 -13.088 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.373 -3.879 -14.621 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.093 -5.639 -15.877 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.920 -7.273 -15.194 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.498 -6.728 -15.811 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.810 -4.245 -14.910 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.885 -5.486 -15.788 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.650 -5.882 -14.231 1.00 0.00 H new ATOM 1264 N GLY A 78 -5.705 -9.392 -13.164 1.00 0.00 N ATOM 1265 CA GLY A 78 -5.101 -10.754 -13.305 1.00 0.00 C ATOM 1266 C GLY A 78 -3.868 -10.888 -12.405 1.00 0.00 C ATOM 1267 O GLY A 78 -3.961 -10.844 -11.195 1.00 0.00 O ATOM 0 H GLY A 78 -6.716 -9.381 -13.026 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.836 -11.514 -13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.821 -10.929 -14.344 1.00 0.00 H new ATOM 1271 N SER A 79 -2.712 -11.049 -12.993 1.00 0.00 N ATOM 1272 CA SER A 79 -1.466 -11.184 -12.179 1.00 0.00 C ATOM 1273 C SER A 79 -0.903 -9.806 -11.818 1.00 0.00 C ATOM 1274 O SER A 79 0.211 -9.689 -11.348 1.00 0.00 O ATOM 1275 CB SER A 79 -0.491 -11.939 -13.079 1.00 0.00 C ATOM 1276 OG SER A 79 -1.077 -13.170 -13.481 1.00 0.00 O ATOM 0 H SER A 79 -2.576 -11.093 -14.003 1.00 0.00 H new ATOM 0 HA SER A 79 -1.647 -11.703 -11.238 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.246 -11.337 -13.954 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.443 -12.124 -12.548 1.00 0.00 H new ATOM 0 HG SER A 79 -0.453 -13.655 -14.060 1.00 0.00 H new ATOM 1282 N MET A 80 -1.656 -8.764 -12.033 1.00 0.00 N ATOM 1283 CA MET A 80 -1.153 -7.406 -11.699 1.00 0.00 C ATOM 1284 C MET A 80 -2.071 -6.733 -10.679 1.00 0.00 C ATOM 1285 O MET A 80 -3.269 -6.909 -10.694 1.00 0.00 O ATOM 1286 CB MET A 80 -1.172 -6.643 -13.024 1.00 0.00 C ATOM 1287 CG MET A 80 0.133 -6.898 -13.779 1.00 0.00 C ATOM 1288 SD MET A 80 0.296 -5.698 -15.124 1.00 0.00 S ATOM 1289 CE MET A 80 -0.034 -6.840 -16.489 1.00 0.00 C ATOM 0 H MET A 80 -2.597 -8.795 -12.425 1.00 0.00 H new ATOM 0 HA MET A 80 -0.158 -7.433 -11.256 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.022 -6.962 -13.627 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.295 -5.576 -12.839 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.981 -6.816 -13.099 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.142 -7.912 -14.179 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.017 -6.301 -17.435 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.710 -7.636 -16.485 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.028 -7.272 -16.370 1.00 0.00 H new ATOM 1299 N ILE A 81 -1.513 -5.955 -9.798 1.00 0.00 N ATOM 1300 CA ILE A 81 -2.335 -5.250 -8.783 1.00 0.00 C ATOM 1301 C ILE A 81 -2.389 -3.767 -9.144 1.00 0.00 C ATOM 1302 O ILE A 81 -1.401 -3.173 -9.528 1.00 0.00 O ATOM 1303 CB ILE A 81 -1.612 -5.462 -7.455 1.00 0.00 C ATOM 1304 CG1 ILE A 81 -1.523 -6.961 -7.156 1.00 0.00 C ATOM 1305 CG2 ILE A 81 -2.385 -4.762 -6.337 1.00 0.00 C ATOM 1306 CD1 ILE A 81 -0.695 -7.180 -5.890 1.00 0.00 C ATOM 0 H ILE A 81 -0.511 -5.776 -9.738 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.359 -5.619 -8.731 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.607 -5.045 -7.517 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.522 -7.377 -7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.067 -7.484 -7.997 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.869 -4.913 -5.389 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.447 -3.695 -6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.390 -5.178 -6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.631 -8.247 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.308 -6.779 -6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.170 -6.670 -5.052 1.00 0.00 H new ATOM 1318 N VAL A 82 -3.539 -3.181 -9.065 1.00 0.00 N ATOM 1319 CA VAL A 82 -3.685 -1.747 -9.444 1.00 0.00 C ATOM 1320 C VAL A 82 -3.858 -0.875 -8.196 1.00 0.00 C ATOM 1321 O VAL A 82 -4.887 -0.890 -7.559 1.00 0.00 O ATOM 1322 CB VAL A 82 -4.959 -1.727 -10.314 1.00 0.00 C ATOM 1323 CG1 VAL A 82 -5.031 -0.406 -11.064 1.00 0.00 C ATOM 1324 CG2 VAL A 82 -4.875 -2.849 -11.353 1.00 0.00 C ATOM 0 H VAL A 82 -4.398 -3.633 -8.751 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.814 -1.353 -9.967 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.833 -1.856 -9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.930 -0.386 -11.681 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.063 0.417 -10.350 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.152 -0.300 -11.700 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.773 -2.840 -11.971 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.999 -2.696 -11.983 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.794 -3.810 -10.845 1.00 0.00 H new ATOM 1334 N ILE A 83 -2.860 -0.104 -7.847 1.00 0.00 N ATOM 1335 CA ILE A 83 -2.981 0.757 -6.631 1.00 0.00 C ATOM 1336 C ILE A 83 -2.638 2.214 -6.941 1.00 0.00 C ATOM 1337 O ILE A 83 -1.860 2.508 -7.827 1.00 0.00 O ATOM 1338 CB ILE A 83 -1.959 0.186 -5.643 1.00 0.00 C ATOM 1339 CG1 ILE A 83 -2.221 -1.308 -5.432 1.00 0.00 C ATOM 1340 CG2 ILE A 83 -2.073 0.915 -4.304 1.00 0.00 C ATOM 1341 CD1 ILE A 83 -1.027 -1.951 -4.726 1.00 0.00 C ATOM 0 H ILE A 83 -1.973 -0.033 -8.346 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.999 0.752 -6.242 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.956 0.324 -6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.124 -1.447 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.393 -1.795 -6.392 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.345 0.506 -3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.879 1.977 -4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.077 0.782 -3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.220 -3.014 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.133 -1.826 -5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.876 -1.473 -3.758 1.00 0.00 H new ATOM 1353 N TYR A 84 -3.196 3.125 -6.192 1.00 0.00 N ATOM 1354 CA TYR A 84 -2.893 4.568 -6.406 1.00 0.00 C ATOM 1355 C TYR A 84 -2.392 5.169 -5.088 1.00 0.00 C ATOM 1356 O TYR A 84 -3.140 5.309 -4.139 1.00 0.00 O ATOM 1357 CB TYR A 84 -4.231 5.194 -6.821 1.00 0.00 C ATOM 1358 CG TYR A 84 -4.118 6.703 -6.831 1.00 0.00 C ATOM 1359 CD1 TYR A 84 -3.471 7.351 -7.889 1.00 0.00 C ATOM 1360 CD2 TYR A 84 -4.663 7.453 -5.781 1.00 0.00 C ATOM 1361 CE1 TYR A 84 -3.370 8.748 -7.898 1.00 0.00 C ATOM 1362 CE2 TYR A 84 -4.561 8.850 -5.790 1.00 0.00 C ATOM 1363 CZ TYR A 84 -3.914 9.497 -6.848 1.00 0.00 C ATOM 1364 OH TYR A 84 -3.815 10.873 -6.859 1.00 0.00 O ATOM 0 H TYR A 84 -3.853 2.930 -5.436 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.124 4.741 -7.159 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.517 4.836 -7.810 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.016 4.885 -6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.049 6.774 -8.699 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.162 6.954 -4.964 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.872 9.248 -8.716 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.982 9.427 -4.980 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.083 11.153 -6.270 1.00 0.00 H new ATOM 1374 N ARG A 85 -1.137 5.519 -5.011 1.00 0.00 N ATOM 1375 CA ARG A 85 -0.610 6.101 -3.739 1.00 0.00 C ATOM 1376 C ARG A 85 -0.818 7.620 -3.724 1.00 0.00 C ATOM 1377 O ARG A 85 -0.206 8.330 -4.491 1.00 0.00 O ATOM 1378 CB ARG A 85 0.888 5.752 -3.755 1.00 0.00 C ATOM 1379 CG ARG A 85 1.634 6.509 -2.650 1.00 0.00 C ATOM 1380 CD ARG A 85 1.310 5.892 -1.287 1.00 0.00 C ATOM 1381 NE ARG A 85 2.626 5.782 -0.599 1.00 0.00 N ATOM 1382 CZ ARG A 85 2.769 6.236 0.616 1.00 0.00 C ATOM 1383 NH1 ARG A 85 2.203 7.358 0.964 1.00 0.00 N ATOM 1384 NH2 ARG A 85 3.480 5.569 1.482 1.00 0.00 N ATOM 0 H ARG A 85 -0.457 5.429 -5.766 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.114 5.712 -2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.018 4.678 -3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.314 6.003 -4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.708 6.469 -2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.348 7.561 -2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.619 6.519 -0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.838 4.916 -1.396 1.00 0.00 H new ATOM 0 HE ARG A 85 3.417 5.351 -1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.648 7.881 0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.315 7.713 1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.924 4.692 1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.592 5.924 2.432 1.00 0.00 H new ATOM 1398 N GLU A 86 -1.658 8.088 -2.816 1.00 0.00 N ATOM 1399 CA GLU A 86 -1.973 9.559 -2.640 1.00 0.00 C ATOM 1400 C GLU A 86 -1.520 10.445 -3.820 1.00 0.00 C ATOM 1401 O GLU A 86 -1.602 10.065 -4.971 1.00 0.00 O ATOM 1402 CB GLU A 86 -1.242 9.944 -1.349 1.00 0.00 C ATOM 1403 CG GLU A 86 0.275 9.927 -1.570 1.00 0.00 C ATOM 1404 CD GLU A 86 0.951 10.794 -0.507 1.00 0.00 C ATOM 1405 OE1 GLU A 86 0.476 11.894 -0.277 1.00 0.00 O ATOM 1406 OE2 GLU A 86 1.932 10.343 0.060 1.00 0.00 O ATOM 0 H GLU A 86 -2.159 7.486 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.050 9.720 -2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.558 10.936 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.508 9.250 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.651 8.905 -1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.513 10.301 -2.566 1.00 0.00 H new ATOM 1413 N SER A 87 -1.059 11.637 -3.539 1.00 0.00 N ATOM 1414 CA SER A 87 -0.597 12.538 -4.631 1.00 0.00 C ATOM 1415 C SER A 87 0.781 13.103 -4.288 1.00 0.00 C ATOM 1416 O SER A 87 1.079 13.391 -3.145 1.00 0.00 O ATOM 1417 CB SER A 87 -1.622 13.664 -4.722 1.00 0.00 C ATOM 1418 OG SER A 87 -2.918 13.153 -4.442 1.00 0.00 O ATOM 0 H SER A 87 -0.984 12.023 -2.598 1.00 0.00 H new ATOM 0 HA SER A 87 -0.512 12.007 -5.579 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.372 14.455 -4.015 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.602 14.108 -5.717 1.00 0.00 H new ATOM 0 HG SER A 87 -3.575 13.878 -4.499 1.00 0.00 H new ATOM 1424 N LYS A 88 1.614 13.282 -5.267 1.00 0.00 N ATOM 1425 CA LYS A 88 2.962 13.848 -5.014 1.00 0.00 C ATOM 1426 C LYS A 88 3.441 14.471 -6.312 1.00 0.00 C ATOM 1427 O LYS A 88 3.506 15.677 -6.453 1.00 0.00 O ATOM 1428 CB LYS A 88 3.840 12.661 -4.611 1.00 0.00 C ATOM 1429 CG LYS A 88 4.512 12.954 -3.269 1.00 0.00 C ATOM 1430 CD LYS A 88 3.826 12.146 -2.165 1.00 0.00 C ATOM 1431 CE LYS A 88 4.133 12.777 -0.804 1.00 0.00 C ATOM 1432 NZ LYS A 88 4.119 11.640 0.158 1.00 0.00 N ATOM 0 H LYS A 88 1.417 13.058 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 88 2.982 14.610 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.236 11.757 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.595 12.478 -5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.570 12.698 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.452 14.019 -3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.749 12.123 -2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.174 11.113 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.101 13.277 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.388 13.527 -0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.881 11.991 1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.409 10.941 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.058 11.192 0.180 1.00 0.00 H new ATOM 1446 N GLU A 89 3.714 13.657 -7.289 1.00 0.00 N ATOM 1447 CA GLU A 89 4.116 14.203 -8.602 1.00 0.00 C ATOM 1448 C GLU A 89 2.838 14.402 -9.413 1.00 0.00 C ATOM 1449 O GLU A 89 2.061 13.486 -9.578 1.00 0.00 O ATOM 1450 CB GLU A 89 5.007 13.133 -9.238 1.00 0.00 C ATOM 1451 CG GLU A 89 5.463 13.603 -10.622 1.00 0.00 C ATOM 1452 CD GLU A 89 5.778 12.387 -11.497 1.00 0.00 C ATOM 1453 OE1 GLU A 89 6.530 11.538 -11.047 1.00 0.00 O ATOM 1454 OE2 GLU A 89 5.263 12.327 -12.601 1.00 0.00 O ATOM 0 H GLU A 89 3.675 12.639 -7.231 1.00 0.00 H new ATOM 0 HA GLU A 89 4.649 15.152 -8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.873 12.942 -8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.461 12.194 -9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.684 14.207 -11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.345 14.236 -10.530 1.00 0.00 H new ATOM 1461 N ASN A 90 2.598 15.591 -9.881 1.00 0.00 N ATOM 1462 CA ASN A 90 1.347 15.863 -10.654 1.00 0.00 C ATOM 1463 C ASN A 90 1.251 14.971 -11.893 1.00 0.00 C ATOM 1464 O ASN A 90 1.479 15.403 -13.006 1.00 0.00 O ATOM 1465 CB ASN A 90 1.432 17.338 -11.055 1.00 0.00 C ATOM 1466 CG ASN A 90 2.757 17.606 -11.775 1.00 0.00 C ATOM 1467 OD1 ASN A 90 3.760 17.875 -11.145 1.00 0.00 O ATOM 1468 ND2 ASN A 90 2.801 17.547 -13.078 1.00 0.00 N ATOM 0 H ASN A 90 3.215 16.395 -9.763 1.00 0.00 H new ATOM 0 HA ASN A 90 0.459 15.650 -10.059 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.596 17.596 -11.705 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.354 17.970 -10.170 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.678 17.727 -13.567 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.959 17.321 -13.607 1.00 0.00 H new ATOM 1475 N LYS A 91 0.872 13.740 -11.707 1.00 0.00 N ATOM 1476 CA LYS A 91 0.709 12.820 -12.860 1.00 0.00 C ATOM 1477 C LYS A 91 -0.640 13.124 -13.492 1.00 0.00 C ATOM 1478 O LYS A 91 -1.486 13.706 -12.848 1.00 0.00 O ATOM 1479 CB LYS A 91 0.734 11.407 -12.273 1.00 0.00 C ATOM 1480 CG LYS A 91 0.858 10.384 -13.408 1.00 0.00 C ATOM 1481 CD LYS A 91 2.125 10.667 -14.220 1.00 0.00 C ATOM 1482 CE LYS A 91 2.430 9.474 -15.127 1.00 0.00 C ATOM 1483 NZ LYS A 91 1.195 9.279 -15.934 1.00 0.00 N ATOM 0 H LYS A 91 0.667 13.329 -10.796 1.00 0.00 H new ATOM 0 HA LYS A 91 1.484 12.925 -13.619 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.571 11.303 -11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.176 11.223 -11.701 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.895 9.374 -12.999 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.019 10.435 -14.054 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.991 11.568 -14.819 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.965 10.852 -13.550 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.291 9.673 -15.765 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.665 8.584 -14.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.438 8.820 -16.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.528 8.679 -15.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.755 10.202 -16.123 1.00 0.00 H new ATOM 1497 N GLU A 92 -0.854 12.780 -14.733 1.00 0.00 N ATOM 1498 CA GLU A 92 -2.173 13.097 -15.349 1.00 0.00 C ATOM 1499 C GLU A 92 -3.269 12.292 -14.643 1.00 0.00 C ATOM 1500 O GLU A 92 -3.831 11.361 -15.183 1.00 0.00 O ATOM 1501 CB GLU A 92 -2.044 12.668 -16.812 1.00 0.00 C ATOM 1502 CG GLU A 92 -1.944 13.908 -17.703 1.00 0.00 C ATOM 1503 CD GLU A 92 -1.751 13.476 -19.157 1.00 0.00 C ATOM 1504 OE1 GLU A 92 -2.314 12.462 -19.533 1.00 0.00 O ATOM 1505 OE2 GLU A 92 -1.044 14.167 -19.871 1.00 0.00 O ATOM 0 H GLU A 92 -0.186 12.302 -15.337 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.436 14.151 -15.264 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.161 12.042 -16.942 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.906 12.067 -17.103 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.847 14.511 -17.608 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.109 14.532 -17.384 1.00 0.00 H new ATOM 1512 N ILE A 93 -3.563 12.662 -13.426 1.00 0.00 N ATOM 1513 CA ILE A 93 -4.608 11.965 -12.635 1.00 0.00 C ATOM 1514 C ILE A 93 -5.810 12.888 -12.448 1.00 0.00 C ATOM 1515 O ILE A 93 -5.725 13.885 -11.757 1.00 0.00 O ATOM 1516 CB ILE A 93 -3.948 11.678 -11.277 1.00 0.00 C ATOM 1517 CG1 ILE A 93 -2.894 10.572 -11.438 1.00 0.00 C ATOM 1518 CG2 ILE A 93 -5.017 11.238 -10.258 1.00 0.00 C ATOM 1519 CD1 ILE A 93 -3.576 9.226 -11.716 1.00 0.00 C ATOM 0 H ILE A 93 -3.110 13.436 -12.940 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.963 11.056 -13.120 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.464 12.585 -10.915 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.217 10.821 -12.256 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.289 10.502 -10.534 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.543 11.036 -9.298 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.755 12.032 -10.139 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.511 10.335 -10.616 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.818 8.450 -11.828 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.234 8.973 -10.885 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.161 9.297 -12.633 1.00 0.00 H new ATOM 1531 N GLU A 94 -6.929 12.560 -13.017 1.00 0.00 N ATOM 1532 CA GLU A 94 -8.117 13.429 -12.809 1.00 0.00 C ATOM 1533 C GLU A 94 -9.253 12.624 -12.241 1.00 0.00 C ATOM 1534 O GLU A 94 -9.838 11.800 -12.918 1.00 0.00 O ATOM 1535 CB GLU A 94 -8.549 13.950 -14.168 1.00 0.00 C ATOM 1536 CG GLU A 94 -8.766 12.784 -15.136 1.00 0.00 C ATOM 1537 CD GLU A 94 -7.860 12.950 -16.357 1.00 0.00 C ATOM 1538 OE1 GLU A 94 -6.765 13.462 -16.193 1.00 0.00 O ATOM 1539 OE2 GLU A 94 -8.277 12.561 -17.437 1.00 0.00 O ATOM 0 H GLU A 94 -7.075 11.742 -13.608 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.866 14.239 -12.124 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.469 14.526 -14.069 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.791 14.625 -14.565 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.550 11.840 -14.637 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.810 12.748 -15.448 1.00 0.00 H new ATOM 1546 N LEU A 95 -9.623 12.876 -11.029 1.00 0.00 N ATOM 1547 CA LEU A 95 -10.773 12.137 -10.496 1.00 0.00 C ATOM 1548 C LEU A 95 -11.195 12.694 -9.117 1.00 0.00 C ATOM 1549 O LEU A 95 -12.284 13.219 -8.991 1.00 0.00 O ATOM 1550 CB LEU A 95 -10.355 10.634 -10.499 1.00 0.00 C ATOM 1551 CG LEU A 95 -10.877 9.864 -9.274 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -12.326 9.455 -9.507 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -10.004 8.619 -9.053 1.00 0.00 C ATOM 0 H LEU A 95 -9.187 13.548 -10.398 1.00 0.00 H new ATOM 0 HA LEU A 95 -11.671 12.252 -11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.730 10.160 -11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.268 10.565 -10.529 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.829 10.499 -8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -12.694 8.910 -8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.935 10.346 -9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -12.387 8.817 -10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.369 8.068 -8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.051 7.980 -9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.972 8.924 -8.881 1.00 0.00 H new ATOM 1565 N PRO A 96 -10.349 12.555 -8.113 1.00 0.00 N ATOM 1566 CA PRO A 96 -10.671 13.024 -6.761 1.00 0.00 C ATOM 1567 C PRO A 96 -9.898 14.305 -6.428 1.00 0.00 C ATOM 1568 O PRO A 96 -10.463 15.373 -6.589 1.00 0.00 O ATOM 1569 CB PRO A 96 -10.182 11.840 -5.923 1.00 0.00 C ATOM 1570 CG PRO A 96 -9.156 11.140 -6.790 1.00 0.00 C ATOM 1571 CD PRO A 96 -9.030 11.945 -8.062 1.00 0.00 C ATOM 0 HA PRO A 96 -11.718 13.282 -6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -9.741 12.177 -4.985 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.004 11.172 -5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.196 11.077 -6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.468 10.119 -7.009 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.231 12.685 -8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.827 11.320 -8.931 1.00 0.00 H new TER 1579 PRO A 96