USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 766 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 69 ASN : amide:sc= -0.118 K(o=-0.59,f=-1.4) USER MOD Set 1.2: A 93 HIS : no HD1:sc= -0.477 X(o=-0.59,f=-0.23) USER MOD Set 2.1: A 78 HIS : no HE2:sc= -0.849 K(o=0.42,f=-7.4!) USER MOD Set 2.2: B 208 THR OG1 : rot 108:sc= 1.27 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0.0517 USER MOD Set 3.2: B 209 SER OG : rot -33:sc= 0.0486 USER MOD Set 4.1: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 100 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.52) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 34 ASN : amide:sc= 0.509 K(o=0.51,f=-4.6!) USER MOD Single : A 35 THR OG1 : rot 123:sc= 1.26 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.015) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -1.08! C(o=-1.1!,f=-3.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.915 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 93:sc= 1.29 USER MOD Single : A 87 ASN : amide:sc= -0.0338 X(o=-0.034,f=-0.064) USER MOD Single : A 88 THR OG1 : rot -99:sc= 0.946 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 146:sc= 0.98 (180deg=0.318) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -12.757 -9.203 -1.331 1.00 0.00 N ATOM 2 CA MET A 8 -13.206 -10.285 -0.512 1.00 0.00 C ATOM 3 C MET A 8 -13.254 -11.542 -1.311 1.00 0.00 C ATOM 4 O MET A 8 -13.912 -12.522 -0.960 1.00 0.00 O ATOM 5 CB MET A 8 -14.532 -9.951 0.193 1.00 0.00 C ATOM 6 CG MET A 8 -14.359 -9.488 1.641 1.00 0.00 C ATOM 7 SD MET A 8 -13.261 -8.058 1.879 1.00 0.00 S ATOM 8 CE MET A 8 -13.547 -7.958 3.669 1.00 0.00 C ATOM 0 HA MET A 8 -12.489 -10.446 0.293 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.046 -9.172 -0.369 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.174 -10.832 0.177 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.341 -9.241 2.045 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.973 -10.322 2.227 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.970 -7.132 4.084 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.607 -7.791 3.859 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.236 -8.891 4.140 1.00 0.00 H new ATOM 18 N LYS A 9 -12.494 -11.561 -2.420 1.00 0.00 N ATOM 19 CA LYS A 9 -12.241 -12.712 -3.229 1.00 0.00 C ATOM 20 C LYS A 9 -10.767 -12.921 -3.274 1.00 0.00 C ATOM 21 O LYS A 9 -10.030 -11.951 -3.100 1.00 0.00 O ATOM 22 CB LYS A 9 -12.824 -12.513 -4.639 1.00 0.00 C ATOM 23 CG LYS A 9 -14.344 -12.690 -4.681 1.00 0.00 C ATOM 24 CD LYS A 9 -14.763 -14.151 -4.509 1.00 0.00 C ATOM 25 CE LYS A 9 -16.177 -14.333 -3.955 1.00 0.00 C ATOM 26 NZ LYS A 9 -16.346 -15.743 -3.537 1.00 0.00 N ATOM 0 H LYS A 9 -12.029 -10.724 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.723 -13.594 -2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.569 -11.515 -4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.361 -13.224 -5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.799 -12.089 -3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.725 -12.314 -5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.695 -14.654 -5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.056 -14.645 -3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.340 -13.666 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.916 -14.072 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.305 -15.880 -3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.205 -16.367 -4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.647 -15.973 -2.802 1.00 0.00 H new ATOM 40 N PRO A 10 -10.251 -14.098 -3.466 1.00 0.00 N ATOM 41 CA PRO A 10 -8.841 -14.349 -3.363 1.00 0.00 C ATOM 42 C PRO A 10 -8.079 -13.744 -4.491 1.00 0.00 C ATOM 43 O PRO A 10 -8.404 -13.949 -5.659 1.00 0.00 O ATOM 44 CB PRO A 10 -8.716 -15.871 -3.343 1.00 0.00 C ATOM 45 CG PRO A 10 -9.959 -16.360 -4.104 1.00 0.00 C ATOM 46 CD PRO A 10 -11.009 -15.320 -3.686 1.00 0.00 C ATOM 0 HA PRO A 10 -8.415 -13.894 -2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.797 -16.202 -3.827 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.696 -16.256 -2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.801 -16.371 -5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.246 -17.371 -3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.763 -15.184 -4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.534 -15.629 -2.782 1.00 0.00 H new ATOM 54 N GLY A 11 -7.051 -12.938 -4.173 1.00 0.00 N ATOM 55 CA GLY A 11 -6.227 -12.281 -5.140 1.00 0.00 C ATOM 56 C GLY A 11 -6.870 -11.089 -5.761 1.00 0.00 C ATOM 57 O GLY A 11 -6.452 -10.644 -6.828 1.00 0.00 O ATOM 0 H GLY A 11 -6.784 -12.736 -3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.296 -11.974 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.964 -12.991 -5.924 1.00 0.00 H new ATOM 61 N ASP A 12 -7.913 -10.516 -5.132 1.00 0.00 N ATOM 62 CA ASP A 12 -8.572 -9.356 -5.644 1.00 0.00 C ATOM 63 C ASP A 12 -7.792 -8.139 -5.281 1.00 0.00 C ATOM 64 O ASP A 12 -7.983 -7.522 -4.234 1.00 0.00 O ATOM 65 CB ASP A 12 -10.026 -9.312 -5.144 1.00 0.00 C ATOM 66 CG ASP A 12 -10.939 -8.496 -6.048 1.00 0.00 C ATOM 67 OD1 ASP A 12 -10.496 -7.478 -6.644 1.00 0.00 O ATOM 68 OD2 ASP A 12 -12.122 -8.900 -6.191 1.00 0.00 O ATOM 0 H ASP A 12 -8.303 -10.863 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.618 -9.395 -6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.411 -10.329 -5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.047 -8.890 -4.139 1.00 0.00 H new ATOM 73 N THR A 13 -6.839 -7.764 -6.153 1.00 0.00 N ATOM 74 CA THR A 13 -5.973 -6.638 -5.997 1.00 0.00 C ATOM 75 C THR A 13 -6.669 -5.350 -6.280 1.00 0.00 C ATOM 76 O THR A 13 -7.352 -5.200 -7.292 1.00 0.00 O ATOM 77 CB THR A 13 -4.755 -6.677 -6.872 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.067 -7.173 -8.166 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.723 -7.621 -6.233 1.00 0.00 C ATOM 0 H THR A 13 -6.664 -8.277 -7.017 1.00 0.00 H new ATOM 0 HA THR A 13 -5.664 -6.697 -4.953 1.00 0.00 H new ATOM 0 HB THR A 13 -4.365 -5.664 -6.967 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.256 -7.186 -8.716 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.830 -7.661 -6.857 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.457 -7.252 -5.242 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.149 -8.620 -6.145 1.00 0.00 H new ATOM 87 N PHE A 14 -6.493 -4.369 -5.378 1.00 0.00 N ATOM 88 CA PHE A 14 -7.105 -3.078 -5.447 1.00 0.00 C ATOM 89 C PHE A 14 -6.023 -2.064 -5.585 1.00 0.00 C ATOM 90 O PHE A 14 -4.995 -2.138 -4.914 1.00 0.00 O ATOM 91 CB PHE A 14 -8.105 -2.709 -4.338 1.00 0.00 C ATOM 92 CG PHE A 14 -7.815 -3.125 -2.937 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.505 -4.415 -2.575 1.00 0.00 C ATOM 94 CD2 PHE A 14 -7.998 -2.207 -1.930 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.283 -4.769 -1.265 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.792 -2.547 -0.614 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.435 -3.829 -0.272 1.00 0.00 C ATOM 0 H PHE A 14 -5.894 -4.481 -4.560 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.756 -3.102 -6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.217 -1.625 -4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.072 -3.130 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.434 -5.172 -3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.309 -1.203 -2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.991 -5.779 -1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.912 -1.800 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.276 -4.095 0.763 1.00 0.00 H new ATOM 107 N GLU A 15 -6.207 -1.108 -6.513 1.00 0.00 N ATOM 108 CA GLU A 15 -5.216 -0.156 -6.911 1.00 0.00 C ATOM 109 C GLU A 15 -5.678 1.208 -6.527 1.00 0.00 C ATOM 110 O GLU A 15 -6.017 2.056 -7.351 1.00 0.00 O ATOM 111 CB GLU A 15 -4.930 -0.270 -8.417 1.00 0.00 C ATOM 112 CG GLU A 15 -4.706 -1.715 -8.868 1.00 0.00 C ATOM 113 CD GLU A 15 -4.415 -1.822 -10.357 1.00 0.00 C ATOM 114 OE1 GLU A 15 -5.092 -1.125 -11.159 1.00 0.00 O ATOM 115 OE2 GLU A 15 -3.547 -2.652 -10.740 1.00 0.00 O ATOM 0 H GLU A 15 -7.090 -0.993 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.275 -0.358 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.765 0.155 -8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.049 0.323 -8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.875 -2.143 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.589 -2.308 -8.630 1.00 0.00 H new ATOM 122 N VAL A 16 -5.718 1.443 -5.203 1.00 0.00 N ATOM 123 CA VAL A 16 -6.325 2.551 -4.533 1.00 0.00 C ATOM 124 C VAL A 16 -5.512 3.794 -4.650 1.00 0.00 C ATOM 125 O VAL A 16 -4.420 3.879 -4.090 1.00 0.00 O ATOM 126 CB VAL A 16 -6.468 2.167 -3.090 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.960 3.329 -2.213 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.459 0.998 -2.958 1.00 0.00 C ATOM 0 H VAL A 16 -5.285 0.797 -4.543 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.290 2.768 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.476 1.879 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.045 2.994 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.250 4.154 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.935 3.665 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.559 0.723 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.431 1.299 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.090 0.142 -3.524 1.00 0.00 H new ATOM 138 N GLU A 17 -5.982 4.833 -5.363 1.00 0.00 N ATOM 139 CA GLU A 17 -5.242 6.042 -5.549 1.00 0.00 C ATOM 140 C GLU A 17 -5.713 7.123 -4.636 1.00 0.00 C ATOM 141 O GLU A 17 -6.887 7.491 -4.603 1.00 0.00 O ATOM 142 CB GLU A 17 -5.052 6.466 -7.015 1.00 0.00 C ATOM 143 CG GLU A 17 -5.968 7.531 -7.620 1.00 0.00 C ATOM 144 CD GLU A 17 -7.397 7.079 -7.882 1.00 0.00 C ATOM 145 OE1 GLU A 17 -7.685 5.853 -7.939 1.00 0.00 O ATOM 146 OE2 GLU A 17 -8.265 7.968 -8.095 1.00 0.00 O ATOM 0 H GLU A 17 -6.894 4.833 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.219 5.819 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.027 6.820 -7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.145 5.570 -7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.992 8.391 -6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.533 7.871 -8.560 1.00 0.00 H new ATOM 153 N LEU A 18 -4.790 7.625 -3.797 1.00 0.00 N ATOM 154 CA LEU A 18 -5.071 8.542 -2.737 1.00 0.00 C ATOM 155 C LEU A 18 -4.068 9.643 -2.776 1.00 0.00 C ATOM 156 O LEU A 18 -3.065 9.557 -3.483 1.00 0.00 O ATOM 157 CB LEU A 18 -4.867 7.901 -1.353 1.00 0.00 C ATOM 158 CG LEU A 18 -5.464 6.495 -1.179 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.883 5.867 0.098 1.00 0.00 C ATOM 160 CD2 LEU A 18 -7.003 6.537 -1.195 1.00 0.00 C ATOM 0 H LEU A 18 -3.802 7.380 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.102 8.870 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.797 7.850 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.303 8.557 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.186 5.860 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.298 4.868 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.799 5.800 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.139 6.487 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.396 5.528 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.358 7.168 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.346 6.945 -2.146 1.00 0.00 H new ATOM 172 N ALA A 19 -4.253 10.662 -1.917 1.00 0.00 N ATOM 173 CA ALA A 19 -3.209 11.564 -1.541 1.00 0.00 C ATOM 174 C ALA A 19 -2.954 11.405 -0.082 1.00 0.00 C ATOM 175 O ALA A 19 -3.877 11.487 0.727 1.00 0.00 O ATOM 176 CB ALA A 19 -3.570 13.016 -1.902 1.00 0.00 C ATOM 0 H ALA A 19 -5.149 10.863 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.299 11.328 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.757 13.678 -1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.727 13.095 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.483 13.304 -1.380 1.00 0.00 H new ATOM 182 N LYS A 20 -1.699 11.138 0.323 1.00 0.00 N ATOM 183 CA LYS A 20 -1.329 10.974 1.695 1.00 0.00 C ATOM 184 C LYS A 20 -1.245 12.263 2.436 1.00 0.00 C ATOM 185 O LYS A 20 -0.860 13.303 1.904 1.00 0.00 O ATOM 186 CB LYS A 20 -0.076 10.107 1.906 1.00 0.00 C ATOM 187 CG LYS A 20 1.076 10.247 0.910 1.00 0.00 C ATOM 188 CD LYS A 20 2.061 11.387 1.175 1.00 0.00 C ATOM 189 CE LYS A 20 3.408 11.060 0.526 1.00 0.00 C ATOM 190 NZ LYS A 20 4.443 12.083 0.798 1.00 0.00 N ATOM 0 H LYS A 20 -0.918 11.033 -0.324 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.154 10.412 2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.315 10.324 2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.390 9.063 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.632 9.310 0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.654 10.383 -0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.669 12.321 0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.188 11.530 2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.756 10.093 0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.273 10.965 -0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.317 11.835 0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.107 13.012 0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.633 12.122 1.820 1.00 0.00 H new ATOM 204 N THR A 21 -1.645 12.254 3.721 1.00 0.00 N ATOM 205 CA THR A 21 -1.843 13.427 4.516 1.00 0.00 C ATOM 206 C THR A 21 -0.593 13.787 5.244 1.00 0.00 C ATOM 207 O THR A 21 -0.323 13.356 6.363 1.00 0.00 O ATOM 208 CB THR A 21 -3.080 13.349 5.361 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.368 14.553 6.056 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.115 12.203 6.386 1.00 0.00 C ATOM 0 H THR A 21 -1.839 11.391 4.228 1.00 0.00 H new ATOM 0 HA THR A 21 -2.046 14.269 3.854 1.00 0.00 H new ATOM 0 HB THR A 21 -3.842 13.152 4.607 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.184 14.438 6.586 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.052 12.240 6.942 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.039 11.248 5.867 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.279 12.308 7.077 1.00 0.00 H new ATOM 218 N ASP A 22 0.275 14.573 4.582 1.00 0.00 N ATOM 219 CA ASP A 22 1.498 15.117 5.085 1.00 0.00 C ATOM 220 C ASP A 22 2.572 14.123 5.366 1.00 0.00 C ATOM 221 O ASP A 22 3.616 14.468 5.918 1.00 0.00 O ATOM 222 CB ASP A 22 1.296 16.061 6.282 1.00 0.00 C ATOM 223 CG ASP A 22 0.400 17.247 5.954 1.00 0.00 C ATOM 224 OD1 ASP A 22 -0.849 17.084 5.912 1.00 0.00 O ATOM 225 OD2 ASP A 22 0.941 18.374 5.793 1.00 0.00 O ATOM 0 H ASP A 22 0.106 14.850 3.615 1.00 0.00 H new ATOM 0 HA ASP A 22 1.861 15.709 4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.862 15.502 7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.266 16.427 6.618 1.00 0.00 H new ATOM 230 N GLY A 23 2.369 12.844 5.001 1.00 0.00 N ATOM 231 CA GLY A 23 3.207 11.740 5.353 1.00 0.00 C ATOM 232 C GLY A 23 2.436 10.800 6.216 1.00 0.00 C ATOM 233 O GLY A 23 2.661 10.722 7.422 1.00 0.00 O ATOM 0 H GLY A 23 1.573 12.565 4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.553 11.229 4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.093 12.093 5.880 1.00 0.00 H new ATOM 237 N SER A 24 1.492 10.074 5.591 1.00 0.00 N ATOM 238 CA SER A 24 0.455 9.314 6.217 1.00 0.00 C ATOM 239 C SER A 24 -0.531 8.913 5.174 1.00 0.00 C ATOM 240 O SER A 24 -1.428 9.655 4.777 1.00 0.00 O ATOM 241 CB SER A 24 -0.293 9.970 7.390 1.00 0.00 C ATOM 242 OG SER A 24 -1.294 9.130 7.945 1.00 0.00 O ATOM 0 H SER A 24 1.452 10.015 4.574 1.00 0.00 H new ATOM 0 HA SER A 24 0.972 8.471 6.676 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.423 10.236 8.168 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.752 10.898 7.048 1.00 0.00 H new ATOM 0 HG SER A 24 -1.736 9.594 8.686 1.00 0.00 H new ATOM 248 N LEU A 25 -0.404 7.655 4.714 1.00 0.00 N ATOM 249 CA LEU A 25 -1.456 6.875 4.140 1.00 0.00 C ATOM 250 C LEU A 25 -2.375 6.547 5.268 1.00 0.00 C ATOM 251 O LEU A 25 -3.595 6.688 5.211 1.00 0.00 O ATOM 252 CB LEU A 25 -0.913 5.545 3.591 1.00 0.00 C ATOM 253 CG LEU A 25 0.436 5.618 2.858 1.00 0.00 C ATOM 254 CD1 LEU A 25 1.015 4.195 2.775 1.00 0.00 C ATOM 255 CD2 LEU A 25 0.405 6.313 1.486 1.00 0.00 C ATOM 0 H LEU A 25 0.484 7.155 4.745 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.935 7.422 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.815 4.845 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.653 5.128 2.908 1.00 0.00 H new ATOM 0 HG LEU A 25 1.087 6.268 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.974 4.222 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.156 3.800 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.325 3.553 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.406 6.311 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.277 5.780 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.064 7.341 1.607 1.00 0.00 H new ATOM 267 N GLY A 26 -1.761 6.136 6.391 1.00 0.00 N ATOM 268 CA GLY A 26 -2.410 5.932 7.650 1.00 0.00 C ATOM 269 C GLY A 26 -2.384 4.491 8.028 1.00 0.00 C ATOM 270 O GLY A 26 -3.360 3.945 8.541 1.00 0.00 O ATOM 0 H GLY A 26 -0.761 5.936 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.915 6.524 8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.441 6.280 7.594 1.00 0.00 H new ATOM 274 N ILE A 27 -1.230 3.850 7.768 1.00 0.00 N ATOM 275 CA ILE A 27 -1.040 2.470 8.090 1.00 0.00 C ATOM 276 C ILE A 27 0.209 2.303 8.885 1.00 0.00 C ATOM 277 O ILE A 27 1.259 2.866 8.575 1.00 0.00 O ATOM 278 CB ILE A 27 -1.051 1.606 6.863 1.00 0.00 C ATOM 279 CG1 ILE A 27 0.138 1.904 5.935 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.407 1.821 6.169 1.00 0.00 C ATOM 281 CD1 ILE A 27 0.072 1.150 4.608 1.00 0.00 C ATOM 0 H ILE A 27 -0.422 4.293 7.331 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.878 2.137 8.702 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.935 0.557 7.136 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.175 2.975 5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.064 1.644 6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.456 1.208 5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.212 1.536 6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.515 2.872 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.940 1.405 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.066 0.077 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.837 1.429 4.076 1.00 0.00 H new ATOM 293 N SER A 28 0.124 1.516 9.972 1.00 0.00 N ATOM 294 CA SER A 28 1.260 0.973 10.648 1.00 0.00 C ATOM 295 C SER A 28 1.717 -0.297 10.017 1.00 0.00 C ATOM 296 O SER A 28 0.977 -1.277 9.943 1.00 0.00 O ATOM 297 CB SER A 28 1.061 0.612 12.130 1.00 0.00 C ATOM 298 OG SER A 28 0.793 1.782 12.889 1.00 0.00 O ATOM 0 H SER A 28 -0.765 1.249 10.394 1.00 0.00 H new ATOM 0 HA SER A 28 1.975 1.792 10.571 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.236 -0.093 12.232 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.953 0.117 12.514 1.00 0.00 H new ATOM 0 HG SER A 28 0.667 1.540 13.830 1.00 0.00 H new ATOM 304 N VAL A 29 2.977 -0.328 9.545 1.00 0.00 N ATOM 305 CA VAL A 29 3.492 -1.430 8.793 1.00 0.00 C ATOM 306 C VAL A 29 4.089 -2.547 9.579 1.00 0.00 C ATOM 307 O VAL A 29 4.757 -2.354 10.594 1.00 0.00 O ATOM 308 CB VAL A 29 4.456 -0.949 7.749 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.678 0.008 6.830 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.675 -0.263 8.389 1.00 0.00 C ATOM 0 H VAL A 29 3.649 0.425 9.688 1.00 0.00 H new ATOM 0 HA VAL A 29 2.609 -1.872 8.331 1.00 0.00 H new ATOM 0 HB VAL A 29 4.854 -1.785 7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.342 0.385 6.052 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.846 -0.525 6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.295 0.844 7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.355 0.074 7.607 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.344 0.594 8.976 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.191 -0.970 9.038 1.00 0.00 H new ATOM 320 N THR A 30 3.872 -3.794 9.127 1.00 0.00 N ATOM 321 CA THR A 30 4.423 -4.986 9.693 1.00 0.00 C ATOM 322 C THR A 30 4.766 -5.952 8.612 1.00 0.00 C ATOM 323 O THR A 30 4.433 -5.766 7.443 1.00 0.00 O ATOM 324 CB THR A 30 3.521 -5.619 10.711 1.00 0.00 C ATOM 325 OG1 THR A 30 4.123 -6.669 11.453 1.00 0.00 O ATOM 326 CG2 THR A 30 2.249 -6.176 10.050 1.00 0.00 C ATOM 0 H THR A 30 3.277 -3.981 8.320 1.00 0.00 H new ATOM 0 HA THR A 30 5.331 -4.702 10.225 1.00 0.00 H new ATOM 0 HB THR A 30 3.286 -4.813 11.406 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.476 -7.029 12.095 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.613 -6.629 10.810 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.709 -5.366 9.560 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.523 -6.928 9.310 1.00 0.00 H new ATOM 334 N GLY A 31 5.470 -7.040 8.974 1.00 0.00 N ATOM 335 CA GLY A 31 5.973 -8.030 8.073 1.00 0.00 C ATOM 336 C GLY A 31 7.360 -7.731 7.619 1.00 0.00 C ATOM 337 O GLY A 31 8.255 -7.469 8.422 1.00 0.00 O ATOM 0 H GLY A 31 5.700 -7.239 9.948 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.955 -9.004 8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.316 -8.096 7.206 1.00 0.00 H new ATOM 341 N GLY A 32 7.601 -7.791 6.296 1.00 0.00 N ATOM 342 CA GLY A 32 8.851 -7.466 5.683 1.00 0.00 C ATOM 343 C GLY A 32 9.674 -8.685 5.446 1.00 0.00 C ATOM 344 O GLY A 32 9.536 -9.688 6.145 1.00 0.00 O ATOM 0 H GLY A 32 6.891 -8.080 5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.672 -6.956 4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.400 -6.772 6.319 1.00 0.00 H new ATOM 348 N VAL A 33 10.624 -8.611 4.496 1.00 0.00 N ATOM 349 CA VAL A 33 11.604 -9.608 4.197 1.00 0.00 C ATOM 350 C VAL A 33 12.255 -10.173 5.411 1.00 0.00 C ATOM 351 O VAL A 33 12.468 -11.378 5.536 1.00 0.00 O ATOM 352 CB VAL A 33 12.689 -9.060 3.318 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.928 -9.965 3.206 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.153 -8.866 1.890 1.00 0.00 C ATOM 0 H VAL A 33 10.712 -7.793 3.893 1.00 0.00 H new ATOM 0 HA VAL A 33 11.054 -10.400 3.689 1.00 0.00 H new ATOM 0 HB VAL A 33 12.991 -8.124 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.664 -9.496 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.362 -10.112 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.637 -10.930 2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.945 -8.468 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.818 -9.825 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.316 -8.168 1.907 1.00 0.00 H new ATOM 364 N ASN A 34 12.557 -9.292 6.382 1.00 0.00 N ATOM 365 CA ASN A 34 13.261 -9.569 7.596 1.00 0.00 C ATOM 366 C ASN A 34 12.527 -10.428 8.568 1.00 0.00 C ATOM 367 O ASN A 34 13.135 -11.146 9.359 1.00 0.00 O ATOM 368 CB ASN A 34 13.745 -8.260 8.243 1.00 0.00 C ATOM 369 CG ASN A 34 12.631 -7.243 8.444 1.00 0.00 C ATOM 370 OD1 ASN A 34 12.045 -6.729 7.492 1.00 0.00 O ATOM 371 ND2 ASN A 34 12.323 -6.918 9.729 1.00 0.00 N ATOM 0 H ASN A 34 12.287 -8.311 6.311 1.00 0.00 H new ATOM 0 HA ASN A 34 14.123 -10.171 7.308 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.201 -8.486 9.207 1.00 0.00 H new ATOM 0 HB3 ASN A 34 14.522 -7.819 7.619 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.591 -6.234 9.921 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.824 -7.359 10.501 1.00 0.00 H new ATOM 378 N THR A 35 11.182 -10.430 8.534 1.00 0.00 N ATOM 379 CA THR A 35 10.363 -11.227 9.392 1.00 0.00 C ATOM 380 C THR A 35 10.255 -12.629 8.896 1.00 0.00 C ATOM 381 O THR A 35 10.177 -13.567 9.686 1.00 0.00 O ATOM 382 CB THR A 35 8.996 -10.639 9.580 1.00 0.00 C ATOM 383 OG1 THR A 35 9.098 -9.356 10.183 1.00 0.00 O ATOM 384 CG2 THR A 35 8.124 -11.464 10.541 1.00 0.00 C ATOM 0 H THR A 35 10.646 -9.855 7.884 1.00 0.00 H new ATOM 0 HA THR A 35 10.857 -11.238 10.364 1.00 0.00 H new ATOM 0 HB THR A 35 8.549 -10.611 8.586 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.665 -8.690 9.609 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.146 -10.993 10.640 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.002 -12.473 10.147 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.605 -11.512 11.518 1.00 0.00 H new ATOM 392 N SER A 36 10.269 -12.804 7.563 1.00 0.00 N ATOM 393 CA SER A 36 10.121 -14.013 6.813 1.00 0.00 C ATOM 394 C SER A 36 8.705 -14.179 6.378 1.00 0.00 C ATOM 395 O SER A 36 7.875 -14.777 7.060 1.00 0.00 O ATOM 396 CB SER A 36 10.683 -15.313 7.413 1.00 0.00 C ATOM 397 OG SER A 36 10.921 -16.301 6.421 1.00 0.00 O ATOM 0 H SER A 36 10.399 -12.005 6.943 1.00 0.00 H new ATOM 0 HA SER A 36 10.781 -13.860 5.959 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.613 -15.097 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.983 -15.703 8.152 1.00 0.00 H new ATOM 0 HG SER A 36 11.279 -17.109 6.844 1.00 0.00 H new ATOM 403 N VAL A 37 8.373 -13.600 5.210 1.00 0.00 N ATOM 404 CA VAL A 37 7.056 -13.448 4.675 1.00 0.00 C ATOM 405 C VAL A 37 6.971 -14.154 3.365 1.00 0.00 C ATOM 406 O VAL A 37 7.739 -15.071 3.077 1.00 0.00 O ATOM 407 CB VAL A 37 6.733 -11.990 4.526 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.478 -11.341 5.897 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.864 -11.261 3.781 1.00 0.00 C ATOM 0 H VAL A 37 9.083 -13.208 4.592 1.00 0.00 H new ATOM 0 HA VAL A 37 6.326 -13.888 5.354 1.00 0.00 H new ATOM 0 HB VAL A 37 5.820 -11.902 3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.246 -10.285 5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.639 -11.837 6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.368 -11.441 6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.613 -10.205 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.793 -11.362 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.989 -11.699 2.791 1.00 0.00 H new ATOM 419 N ARG A 38 6.037 -13.772 2.477 1.00 0.00 N ATOM 420 CA ARG A 38 5.966 -14.234 1.126 1.00 0.00 C ATOM 421 C ARG A 38 6.880 -13.448 0.250 1.00 0.00 C ATOM 422 O ARG A 38 6.456 -12.533 -0.454 1.00 0.00 O ATOM 423 CB ARG A 38 4.530 -14.113 0.588 1.00 0.00 C ATOM 424 CG ARG A 38 3.545 -15.028 1.318 1.00 0.00 C ATOM 425 CD ARG A 38 2.120 -14.988 0.763 1.00 0.00 C ATOM 426 NE ARG A 38 1.393 -16.089 1.456 1.00 0.00 N ATOM 427 CZ ARG A 38 0.433 -16.845 0.847 1.00 0.00 C ATOM 428 NH1 ARG A 38 -0.250 -16.420 -0.255 1.00 0.00 N ATOM 429 NH2 ARG A 38 0.125 -18.082 1.338 1.00 0.00 N ATOM 0 H ARG A 38 5.297 -13.110 2.712 1.00 0.00 H new ATOM 0 HA ARG A 38 6.271 -15.281 1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.197 -13.079 0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.523 -14.354 -0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.913 -16.053 1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.520 -14.749 2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.650 -14.024 0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.115 -15.133 -0.317 1.00 0.00 H new ATOM 0 HE ARG A 38 1.623 -16.287 2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.051 -15.504 -0.656 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.960 -17.019 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.612 -18.440 2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.592 -18.647 0.883 1.00 0.00 H new ATOM 443 N HIS A 39 8.187 -13.763 0.273 1.00 0.00 N ATOM 444 CA HIS A 39 9.249 -13.014 -0.323 1.00 0.00 C ATOM 445 C HIS A 39 9.524 -11.749 0.415 1.00 0.00 C ATOM 446 O HIS A 39 10.439 -11.684 1.234 1.00 0.00 O ATOM 447 CB HIS A 39 9.101 -12.817 -1.841 1.00 0.00 C ATOM 448 CG HIS A 39 10.271 -12.197 -2.547 1.00 0.00 C ATOM 449 ND1 HIS A 39 10.129 -11.797 -3.860 1.00 0.00 N ATOM 450 CD2 HIS A 39 11.516 -11.901 -2.091 1.00 0.00 C ATOM 451 CE1 HIS A 39 11.293 -11.262 -4.185 1.00 0.00 C ATOM 452 NE2 HIS A 39 12.167 -11.291 -3.144 1.00 0.00 N ATOM 0 H HIS A 39 8.525 -14.603 0.743 1.00 0.00 H new ATOM 0 HA HIS A 39 10.141 -13.632 -0.221 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.903 -13.788 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 39 8.224 -12.196 -2.022 1.00 0.00 H new ATOM 0 HD2 HIS A 39 11.914 -12.102 -1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.522 -10.852 -5.158 1.00 0.00 H new ATOM 0 HE2 HIS A 39 13.121 -10.931 -3.142 1.00 0.00 H new ATOM 460 N GLY A 40 8.709 -10.706 0.177 1.00 0.00 N ATOM 461 CA GLY A 40 8.818 -9.398 0.744 1.00 0.00 C ATOM 462 C GLY A 40 7.459 -8.791 0.808 1.00 0.00 C ATOM 463 O GLY A 40 6.556 -9.322 1.453 1.00 0.00 O ATOM 0 H GLY A 40 7.915 -10.784 -0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.254 -9.454 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.481 -8.778 0.140 1.00 0.00 H new ATOM 467 N GLY A 41 7.256 -7.631 0.156 1.00 0.00 N ATOM 468 CA GLY A 41 6.077 -6.840 0.328 1.00 0.00 C ATOM 469 C GLY A 41 6.075 -6.120 1.632 1.00 0.00 C ATOM 470 O GLY A 41 7.057 -6.144 2.371 1.00 0.00 O ATOM 0 H GLY A 41 7.925 -7.235 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.003 -6.118 -0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.198 -7.481 0.266 1.00 0.00 H new ATOM 474 N ILE A 42 4.947 -5.498 2.022 1.00 0.00 N ATOM 475 CA ILE A 42 4.747 -5.153 3.396 1.00 0.00 C ATOM 476 C ILE A 42 3.298 -5.354 3.684 1.00 0.00 C ATOM 477 O ILE A 42 2.488 -5.467 2.766 1.00 0.00 O ATOM 478 CB ILE A 42 5.324 -3.824 3.786 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.676 -3.706 5.278 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.446 -2.617 3.415 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.906 -4.522 5.674 1.00 0.00 C ATOM 0 H ILE A 42 4.184 -5.237 1.397 1.00 0.00 H new ATOM 0 HA ILE A 42 5.323 -5.809 4.049 1.00 0.00 H new ATOM 0 HB ILE A 42 6.239 -3.794 3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.850 -2.658 5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.824 -4.034 5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.938 -1.698 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.296 -2.594 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.480 -2.703 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.100 -4.395 6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.727 -5.576 5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.770 -4.178 5.105 1.00 0.00 H new ATOM 493 N TYR A 43 2.893 -5.481 4.960 1.00 0.00 N ATOM 494 CA TYR A 43 1.528 -5.729 5.309 1.00 0.00 C ATOM 495 C TYR A 43 1.117 -4.668 6.270 1.00 0.00 C ATOM 496 O TYR A 43 1.932 -3.929 6.820 1.00 0.00 O ATOM 497 CB TYR A 43 1.396 -7.064 6.062 1.00 0.00 C ATOM 498 CG TYR A 43 1.740 -8.279 5.271 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.042 -8.667 5.056 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.726 -9.107 4.852 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.319 -9.849 4.411 1.00 0.00 C ATOM 502 CE2 TYR A 43 0.995 -10.308 4.239 1.00 0.00 C ATOM 503 CZ TYR A 43 2.299 -10.682 4.014 1.00 0.00 C ATOM 504 OH TYR A 43 2.612 -11.923 3.422 1.00 0.00 O ATOM 0 H TYR A 43 3.521 -5.411 5.761 1.00 0.00 H new ATOM 0 HA TYR A 43 0.924 -5.747 4.402 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.038 -7.030 6.942 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.371 -7.161 6.418 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.852 -8.039 5.396 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.300 -8.809 5.007 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.344 -10.125 4.215 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.185 -10.955 3.935 1.00 0.00 H new ATOM 0 HH TYR A 43 1.784 -12.397 3.198 1.00 0.00 H new ATOM 514 N VAL A 44 -0.196 -4.534 6.528 1.00 0.00 N ATOM 515 CA VAL A 44 -0.736 -3.706 7.562 1.00 0.00 C ATOM 516 C VAL A 44 -0.727 -4.434 8.862 1.00 0.00 C ATOM 517 O VAL A 44 -1.021 -5.627 8.918 1.00 0.00 O ATOM 518 CB VAL A 44 -2.175 -3.426 7.241 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.907 -2.622 8.330 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.280 -2.670 5.907 1.00 0.00 C ATOM 0 H VAL A 44 -0.913 -5.024 5.993 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.141 -2.795 7.628 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.663 -4.399 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.941 -2.458 8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.886 -3.177 9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.412 -1.660 8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.328 -2.471 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.739 -1.726 5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.847 -3.275 5.111 1.00 0.00 H new ATOM 530 N LYS A 45 -0.421 -3.747 9.977 1.00 0.00 N ATOM 531 CA LYS A 45 -0.764 -4.202 11.288 1.00 0.00 C ATOM 532 C LYS A 45 -2.025 -3.543 11.730 1.00 0.00 C ATOM 533 O LYS A 45 -3.018 -4.204 12.031 1.00 0.00 O ATOM 534 CB LYS A 45 0.364 -3.933 12.299 1.00 0.00 C ATOM 535 CG LYS A 45 0.318 -4.787 13.568 1.00 0.00 C ATOM 536 CD LYS A 45 -0.598 -4.259 14.674 1.00 0.00 C ATOM 537 CE LYS A 45 -0.402 -4.943 16.029 1.00 0.00 C ATOM 538 NZ LYS A 45 -0.920 -6.329 16.022 1.00 0.00 N ATOM 0 H LYS A 45 0.076 -2.856 9.967 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.910 -5.281 11.246 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.321 -4.098 11.804 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.330 -2.882 12.586 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.006 -5.792 13.299 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.329 -4.873 13.966 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.428 -3.189 14.792 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.635 -4.385 14.363 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.658 -4.952 16.282 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.910 -4.368 16.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.770 -6.760 16.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.937 -6.318 15.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.418 -6.884 15.300 1.00 0.00 H new ATOM 552 N ALA A 46 -2.037 -2.198 11.760 1.00 0.00 N ATOM 553 CA ALA A 46 -3.159 -1.420 12.186 1.00 0.00 C ATOM 554 C ALA A 46 -3.431 -0.304 11.236 1.00 0.00 C ATOM 555 O ALA A 46 -2.521 0.284 10.652 1.00 0.00 O ATOM 556 CB ALA A 46 -2.919 -0.863 13.599 1.00 0.00 C ATOM 0 H ALA A 46 -1.237 -1.632 11.478 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.032 -2.073 12.205 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.782 -0.273 13.909 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.775 -1.689 14.296 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.030 -0.232 13.595 1.00 0.00 H new ATOM 562 N ILE A 47 -4.724 0.018 11.059 1.00 0.00 N ATOM 563 CA ILE A 47 -5.225 1.121 10.299 1.00 0.00 C ATOM 564 C ILE A 47 -5.587 2.186 11.277 1.00 0.00 C ATOM 565 O ILE A 47 -6.246 1.912 12.279 1.00 0.00 O ATOM 566 CB ILE A 47 -6.438 0.746 9.499 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.152 -0.405 8.520 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.019 1.951 8.741 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.032 -0.103 7.525 1.00 0.00 C ATOM 0 H ILE A 47 -5.473 -0.533 11.478 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.466 1.453 9.590 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.181 0.402 10.218 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.889 -1.297 9.089 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.063 -0.636 7.968 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.896 1.636 8.175 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.306 2.725 9.453 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.268 2.347 8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.888 -0.961 6.868 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.300 0.770 6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.108 0.098 8.067 1.00 0.00 H new ATOM 581 N ILE A 48 -5.159 3.438 11.042 1.00 0.00 N ATOM 582 CA ILE A 48 -5.473 4.528 11.915 1.00 0.00 C ATOM 583 C ILE A 48 -6.753 5.197 11.548 1.00 0.00 C ATOM 584 O ILE A 48 -7.192 5.030 10.412 1.00 0.00 O ATOM 585 CB ILE A 48 -4.381 5.554 11.980 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.257 6.373 10.684 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.108 4.845 12.473 1.00 0.00 C ATOM 588 CD1 ILE A 48 -2.998 7.238 10.619 1.00 0.00 C ATOM 0 H ILE A 48 -4.589 3.699 10.238 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.580 4.077 12.902 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.611 6.337 12.703 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.263 5.692 9.833 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.133 7.014 10.585 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.291 5.564 12.532 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.288 4.418 13.460 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.842 4.050 11.777 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.981 7.785 9.677 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.999 7.944 11.449 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.116 6.602 10.685 1.00 0.00 H new ATOM 600 N PRO A 49 -7.354 5.986 12.386 1.00 0.00 N ATOM 601 CA PRO A 49 -8.551 6.706 12.058 1.00 0.00 C ATOM 602 C PRO A 49 -8.370 7.751 11.012 1.00 0.00 C ATOM 603 O PRO A 49 -7.852 8.827 11.305 1.00 0.00 O ATOM 604 CB PRO A 49 -9.025 7.325 13.372 1.00 0.00 C ATOM 605 CG PRO A 49 -8.410 6.417 14.448 1.00 0.00 C ATOM 606 CD PRO A 49 -7.057 6.066 13.809 1.00 0.00 C ATOM 0 HA PRO A 49 -9.280 6.023 11.622 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.684 8.355 13.475 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.113 7.342 13.437 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.293 6.931 15.402 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.018 5.532 14.636 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.306 6.828 14.019 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.668 5.122 14.190 1.00 0.00 H new ATOM 614 N LYS A 50 -8.810 7.468 9.773 1.00 0.00 N ATOM 615 CA LYS A 50 -8.911 8.378 8.675 1.00 0.00 C ATOM 616 C LYS A 50 -7.698 9.186 8.368 1.00 0.00 C ATOM 617 O LYS A 50 -7.666 10.403 8.550 1.00 0.00 O ATOM 618 CB LYS A 50 -10.155 9.275 8.774 1.00 0.00 C ATOM 619 CG LYS A 50 -11.472 8.495 8.786 1.00 0.00 C ATOM 620 CD LYS A 50 -12.694 9.413 8.826 1.00 0.00 C ATOM 621 CE LYS A 50 -14.019 8.660 8.685 1.00 0.00 C ATOM 622 NZ LYS A 50 -15.166 9.596 8.685 1.00 0.00 N ATOM 0 H LYS A 50 -9.119 6.529 9.521 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.014 7.710 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.089 9.875 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.161 9.969 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.525 7.863 7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.491 7.832 9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.695 9.965 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.614 10.148 8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.016 8.083 7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.126 7.949 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.052 9.060 8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.180 10.129 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.074 10.258 7.889 1.00 0.00 H new ATOM 636 N GLY A 51 -6.640 8.548 7.837 1.00 0.00 N ATOM 637 CA GLY A 51 -5.569 9.250 7.202 1.00 0.00 C ATOM 638 C GLY A 51 -5.950 9.506 5.785 1.00 0.00 C ATOM 639 O GLY A 51 -6.616 10.486 5.450 1.00 0.00 O ATOM 0 H GLY A 51 -6.526 7.534 7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.373 10.190 7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.651 8.664 7.248 1.00 0.00 H new ATOM 643 N ALA A 52 -5.557 8.576 4.895 1.00 0.00 N ATOM 644 CA ALA A 52 -5.993 8.512 3.536 1.00 0.00 C ATOM 645 C ALA A 52 -6.479 7.138 3.221 1.00 0.00 C ATOM 646 O ALA A 52 -7.444 6.948 2.483 1.00 0.00 O ATOM 647 CB ALA A 52 -4.814 8.909 2.633 1.00 0.00 C ATOM 0 H ALA A 52 -4.902 7.832 5.137 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.822 9.199 3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.125 8.867 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.495 9.922 2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.985 8.219 2.793 1.00 0.00 H new ATOM 653 N ALA A 53 -5.824 6.105 3.781 1.00 0.00 N ATOM 654 CA ALA A 53 -6.039 4.720 3.505 1.00 0.00 C ATOM 655 C ALA A 53 -7.336 4.185 4.008 1.00 0.00 C ATOM 656 O ALA A 53 -8.087 3.566 3.255 1.00 0.00 O ATOM 657 CB ALA A 53 -4.852 3.924 4.074 1.00 0.00 C ATOM 0 H ALA A 53 -5.092 6.251 4.476 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.101 4.608 2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.996 2.862 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.929 4.260 3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.788 4.085 5.150 1.00 0.00 H new ATOM 663 N GLU A 54 -7.713 4.441 5.274 1.00 0.00 N ATOM 664 CA GLU A 54 -9.005 4.081 5.772 1.00 0.00 C ATOM 665 C GLU A 54 -10.120 4.683 4.990 1.00 0.00 C ATOM 666 O GLU A 54 -11.182 4.095 4.790 1.00 0.00 O ATOM 667 CB GLU A 54 -9.187 4.492 7.241 1.00 0.00 C ATOM 668 CG GLU A 54 -10.523 4.014 7.813 1.00 0.00 C ATOM 669 CD GLU A 54 -10.624 4.178 9.323 1.00 0.00 C ATOM 670 OE1 GLU A 54 -10.655 5.338 9.817 1.00 0.00 O ATOM 671 OE2 GLU A 54 -10.749 3.140 10.026 1.00 0.00 O ATOM 0 H GLU A 54 -7.115 4.903 5.960 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.047 2.996 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.371 4.081 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.126 5.577 7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.333 4.569 7.339 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.665 2.964 7.558 1.00 0.00 H new ATOM 678 N SER A 55 -9.880 5.895 4.458 1.00 0.00 N ATOM 679 CA SER A 55 -10.806 6.599 3.626 1.00 0.00 C ATOM 680 C SER A 55 -11.026 6.046 2.261 1.00 0.00 C ATOM 681 O SER A 55 -11.870 6.562 1.528 1.00 0.00 O ATOM 682 CB SER A 55 -10.436 8.086 3.485 1.00 0.00 C ATOM 683 OG SER A 55 -10.289 8.691 4.761 1.00 0.00 O ATOM 0 H SER A 55 -9.009 6.403 4.613 1.00 0.00 H new ATOM 0 HA SER A 55 -11.744 6.469 4.166 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.508 8.183 2.922 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.208 8.606 2.918 1.00 0.00 H new ATOM 0 HG SER A 55 -10.052 9.635 4.650 1.00 0.00 H new ATOM 689 N ASP A 56 -10.373 4.949 1.839 1.00 0.00 N ATOM 690 CA ASP A 56 -10.862 4.104 0.795 1.00 0.00 C ATOM 691 C ASP A 56 -12.004 3.321 1.348 1.00 0.00 C ATOM 692 O ASP A 56 -13.133 3.803 1.430 1.00 0.00 O ATOM 693 CB ASP A 56 -9.697 3.244 0.276 1.00 0.00 C ATOM 694 CG ASP A 56 -10.111 2.149 -0.695 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.595 2.447 -1.820 1.00 0.00 O ATOM 696 OD2 ASP A 56 -10.044 0.968 -0.264 1.00 0.00 O ATOM 0 H ASP A 56 -9.484 4.642 2.233 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.237 4.659 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.972 3.893 -0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.191 2.787 1.127 1.00 0.00 H new ATOM 701 N GLY A 57 -11.754 2.076 1.791 1.00 0.00 N ATOM 702 CA GLY A 57 -12.752 1.318 2.478 1.00 0.00 C ATOM 703 C GLY A 57 -12.587 -0.153 2.309 1.00 0.00 C ATOM 704 O GLY A 57 -13.186 -0.953 3.027 1.00 0.00 O ATOM 0 H GLY A 57 -10.862 1.595 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.718 1.562 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.737 1.611 2.115 1.00 0.00 H new ATOM 708 N ARG A 58 -11.760 -0.580 1.338 1.00 0.00 N ATOM 709 CA ARG A 58 -11.498 -1.961 1.072 1.00 0.00 C ATOM 710 C ARG A 58 -10.420 -2.474 1.962 1.00 0.00 C ATOM 711 O ARG A 58 -10.330 -3.671 2.235 1.00 0.00 O ATOM 712 CB ARG A 58 -11.073 -2.089 -0.400 1.00 0.00 C ATOM 713 CG ARG A 58 -12.086 -1.576 -1.425 1.00 0.00 C ATOM 714 CD ARG A 58 -11.385 -0.984 -2.650 1.00 0.00 C ATOM 715 NE ARG A 58 -12.443 -0.576 -3.617 1.00 0.00 N ATOM 716 CZ ARG A 58 -12.385 0.525 -4.421 1.00 0.00 C ATOM 717 NH1 ARG A 58 -11.488 1.539 -4.247 1.00 0.00 N ATOM 718 NH2 ARG A 58 -13.286 0.610 -5.443 1.00 0.00 N ATOM 0 H ARG A 58 -11.258 0.056 0.718 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.395 -2.551 1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.137 -1.548 -0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.869 -3.139 -0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.738 -2.392 -1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.721 -0.819 -0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.774 -0.127 -2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.716 -1.717 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.274 -1.164 -3.683 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.813 1.498 -3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.492 2.338 -4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.970 -0.134 -5.583 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.275 1.417 -6.066 1.00 0.00 H new ATOM 732 N ILE A 59 -9.566 -1.566 2.469 1.00 0.00 N ATOM 733 CA ILE A 59 -8.445 -1.790 3.327 1.00 0.00 C ATOM 734 C ILE A 59 -8.813 -2.239 4.698 1.00 0.00 C ATOM 735 O ILE A 59 -9.703 -1.680 5.336 1.00 0.00 O ATOM 736 CB ILE A 59 -7.655 -0.516 3.398 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.104 -0.175 2.004 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.538 -0.612 4.452 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.201 1.055 1.919 1.00 0.00 C ATOM 0 H ILE A 59 -9.675 -0.575 2.254 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.860 -2.605 2.901 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.311 0.295 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.546 -1.036 1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.947 -0.029 1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.983 0.326 4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.977 -0.804 5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.862 -1.426 4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.874 1.196 0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.753 1.935 2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.331 0.913 2.560 1.00 0.00 H new ATOM 751 N HIS A 60 -8.121 -3.258 5.239 1.00 0.00 N ATOM 752 CA HIS A 60 -8.228 -3.580 6.629 1.00 0.00 C ATOM 753 C HIS A 60 -6.957 -4.046 7.251 1.00 0.00 C ATOM 754 O HIS A 60 -5.866 -3.992 6.685 1.00 0.00 O ATOM 755 CB HIS A 60 -9.367 -4.585 6.869 1.00 0.00 C ATOM 756 CG HIS A 60 -9.983 -4.510 8.234 1.00 0.00 C ATOM 757 ND1 HIS A 60 -9.782 -5.522 9.150 1.00 0.00 N ATOM 758 CD2 HIS A 60 -10.747 -3.523 8.777 1.00 0.00 C ATOM 759 CE1 HIS A 60 -10.436 -5.144 10.232 1.00 0.00 C ATOM 760 NE2 HIS A 60 -11.035 -3.935 10.062 1.00 0.00 N ATOM 0 H HIS A 60 -7.487 -3.860 4.713 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.465 -2.643 7.132 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.145 -4.419 6.123 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.984 -5.593 6.711 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.063 -2.607 8.300 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.489 -5.724 11.142 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -11.591 -3.430 10.752 1.00 0.00 H new ATOM 768 N LYS A 61 -7.052 -4.481 8.520 1.00 0.00 N ATOM 769 CA LYS A 61 -5.966 -4.678 9.428 1.00 0.00 C ATOM 770 C LYS A 61 -5.412 -6.057 9.320 1.00 0.00 C ATOM 771 O LYS A 61 -5.749 -6.946 10.102 1.00 0.00 O ATOM 772 CB LYS A 61 -6.446 -4.415 10.866 1.00 0.00 C ATOM 773 CG LYS A 61 -7.030 -3.014 11.060 1.00 0.00 C ATOM 774 CD LYS A 61 -7.673 -2.786 12.428 1.00 0.00 C ATOM 775 CE LYS A 61 -8.574 -1.549 12.425 1.00 0.00 C ATOM 776 NZ LYS A 61 -9.422 -1.478 13.635 1.00 0.00 N ATOM 0 H LYS A 61 -7.953 -4.711 8.940 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.171 -3.978 9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.200 -5.156 11.132 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.610 -4.551 11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.238 -2.279 10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.776 -2.833 10.286 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.258 -3.663 12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.895 -2.669 13.182 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.958 -0.652 12.361 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.208 -1.564 11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.016 -0.626 13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.029 -2.321 13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.818 -1.437 14.480 1.00 0.00 H new ATOM 790 N GLY A 62 -4.548 -6.301 8.320 1.00 0.00 N ATOM 791 CA GLY A 62 -4.000 -7.603 8.097 1.00 0.00 C ATOM 792 C GLY A 62 -3.641 -7.848 6.672 1.00 0.00 C ATOM 793 O GLY A 62 -2.933 -8.803 6.357 1.00 0.00 O ATOM 0 H GLY A 62 -4.227 -5.592 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.112 -7.728 8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.721 -8.354 8.419 1.00 0.00 H new ATOM 797 N ASP A 63 -4.124 -6.993 5.752 1.00 0.00 N ATOM 798 CA ASP A 63 -3.870 -7.086 4.348 1.00 0.00 C ATOM 799 C ASP A 63 -2.456 -6.821 3.959 1.00 0.00 C ATOM 800 O ASP A 63 -1.629 -6.358 4.742 1.00 0.00 O ATOM 801 CB ASP A 63 -4.735 -6.048 3.613 1.00 0.00 C ATOM 802 CG ASP A 63 -6.236 -6.279 3.705 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.699 -7.428 3.936 1.00 0.00 O ATOM 804 OD2 ASP A 63 -6.957 -5.265 3.507 1.00 0.00 O ATOM 0 H ASP A 63 -4.718 -6.202 5.999 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.104 -8.115 4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.510 -5.060 4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.448 -6.038 2.561 1.00 0.00 H new ATOM 809 N ARG A 64 -2.131 -7.095 2.684 1.00 0.00 N ATOM 810 CA ARG A 64 -0.836 -6.912 2.105 1.00 0.00 C ATOM 811 C ARG A 64 -0.854 -5.727 1.202 1.00 0.00 C ATOM 812 O ARG A 64 -1.847 -5.453 0.531 1.00 0.00 O ATOM 813 CB ARG A 64 -0.497 -8.195 1.325 1.00 0.00 C ATOM 814 CG ARG A 64 0.836 -8.228 0.575 1.00 0.00 C ATOM 815 CD ARG A 64 0.945 -9.533 -0.216 1.00 0.00 C ATOM 816 NE ARG A 64 2.222 -9.538 -0.983 1.00 0.00 N ATOM 817 CZ ARG A 64 2.611 -10.641 -1.687 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.783 -11.713 -1.862 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.857 -10.669 -2.242 1.00 0.00 N ATOM 0 H ARG A 64 -2.810 -7.465 2.019 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.082 -6.732 2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.510 -9.030 2.026 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.295 -8.372 0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.907 -7.375 -0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.664 -8.147 1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.911 -10.386 0.461 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.099 -9.632 -0.896 1.00 0.00 H new ATOM 0 HE ARG A 64 2.813 -8.707 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.845 -11.704 -1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.103 -12.523 -2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.484 -9.873 -2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.162 -11.486 -2.771 1.00 0.00 H new ATOM 833 N VAL A 65 0.244 -4.951 1.148 1.00 0.00 N ATOM 834 CA VAL A 65 0.507 -3.993 0.120 1.00 0.00 C ATOM 835 C VAL A 65 1.645 -4.527 -0.679 1.00 0.00 C ATOM 836 O VAL A 65 2.665 -4.970 -0.153 1.00 0.00 O ATOM 837 CB VAL A 65 0.718 -2.586 0.596 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.797 -2.521 1.689 1.00 0.00 C ATOM 839 CG2 VAL A 65 1.027 -1.615 -0.555 1.00 0.00 C ATOM 0 H VAL A 65 0.981 -4.994 1.852 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.384 -3.881 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.225 -2.260 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.926 -1.488 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.492 -3.132 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.740 -2.897 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.171 -0.611 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.934 -1.935 -1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.195 -1.609 -1.259 1.00 0.00 H new ATOM 849 N LEU A 66 1.505 -4.576 -2.016 1.00 0.00 N ATOM 850 CA LEU A 66 2.497 -5.085 -2.911 1.00 0.00 C ATOM 851 C LEU A 66 3.207 -3.998 -3.642 1.00 0.00 C ATOM 852 O LEU A 66 4.398 -4.125 -3.923 1.00 0.00 O ATOM 853 CB LEU A 66 1.924 -6.141 -3.872 1.00 0.00 C ATOM 854 CG LEU A 66 0.594 -5.823 -4.574 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.514 -6.504 -5.951 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.597 -6.302 -3.725 1.00 0.00 C ATOM 0 H LEU A 66 0.665 -4.247 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 66 3.241 -5.589 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.671 -6.334 -4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.795 -7.068 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 66 0.550 -4.741 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.438 -6.260 -6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.331 -6.151 -6.580 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.592 -7.584 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.529 -6.067 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.527 -7.379 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.580 -5.799 -2.758 1.00 0.00 H new ATOM 868 N ALA A 67 2.542 -2.874 -3.961 1.00 0.00 N ATOM 869 CA ALA A 67 3.208 -1.816 -4.655 1.00 0.00 C ATOM 870 C ALA A 67 2.634 -0.478 -4.338 1.00 0.00 C ATOM 871 O ALA A 67 1.491 -0.362 -3.901 1.00 0.00 O ATOM 872 CB ALA A 67 3.175 -2.055 -6.174 1.00 0.00 C ATOM 0 H ALA A 67 1.561 -2.698 -3.744 1.00 0.00 H new ATOM 0 HA ALA A 67 4.243 -1.819 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.687 -1.238 -6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.674 -2.996 -6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.140 -2.101 -6.513 1.00 0.00 H new ATOM 878 N VAL A 68 3.420 0.598 -4.521 1.00 0.00 N ATOM 879 CA VAL A 68 3.001 1.931 -4.214 1.00 0.00 C ATOM 880 C VAL A 68 3.394 2.872 -5.300 1.00 0.00 C ATOM 881 O VAL A 68 4.581 2.990 -5.600 1.00 0.00 O ATOM 882 CB VAL A 68 3.583 2.478 -2.945 1.00 0.00 C ATOM 883 CG1 VAL A 68 2.759 3.705 -2.523 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.585 1.403 -1.844 1.00 0.00 C ATOM 0 H VAL A 68 4.369 0.541 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 68 1.919 1.857 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 68 4.619 2.776 -3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.167 4.118 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.802 4.460 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.723 3.409 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.011 1.818 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.563 1.077 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.183 0.551 -2.168 1.00 0.00 H new ATOM 894 N ASN A 69 2.442 3.574 -5.942 1.00 0.00 N ATOM 895 CA ASN A 69 2.687 4.519 -6.986 1.00 0.00 C ATOM 896 C ASN A 69 3.250 3.888 -8.214 1.00 0.00 C ATOM 897 O ASN A 69 3.836 4.535 -9.080 1.00 0.00 O ATOM 898 CB ASN A 69 3.512 5.700 -6.448 1.00 0.00 C ATOM 899 CG ASN A 69 3.486 6.920 -7.358 1.00 0.00 C ATOM 900 OD1 ASN A 69 2.510 7.186 -8.058 1.00 0.00 O ATOM 901 ND2 ASN A 69 4.602 7.698 -7.345 1.00 0.00 N ATOM 0 H ASN A 69 1.451 3.476 -5.721 1.00 0.00 H new ATOM 0 HA ASN A 69 1.731 4.926 -7.316 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.133 5.981 -5.465 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.545 5.380 -6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.648 8.533 -7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.392 7.446 -6.752 1.00 0.00 H new ATOM 908 N GLY A 70 3.083 2.559 -8.347 1.00 0.00 N ATOM 909 CA GLY A 70 3.703 1.771 -9.367 1.00 0.00 C ATOM 910 C GLY A 70 5.099 1.369 -9.034 1.00 0.00 C ATOM 911 O GLY A 70 5.910 1.137 -9.929 1.00 0.00 O ATOM 0 H GLY A 70 2.493 2.013 -7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.105 0.876 -9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.707 2.335 -10.300 1.00 0.00 H new ATOM 915 N VAL A 71 5.427 1.281 -7.733 1.00 0.00 N ATOM 916 CA VAL A 71 6.701 0.854 -7.242 1.00 0.00 C ATOM 917 C VAL A 71 6.467 -0.310 -6.341 1.00 0.00 C ATOM 918 O VAL A 71 5.999 -0.179 -5.212 1.00 0.00 O ATOM 919 CB VAL A 71 7.486 1.877 -6.477 1.00 0.00 C ATOM 920 CG1 VAL A 71 8.913 1.354 -6.244 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.545 3.197 -7.264 1.00 0.00 C ATOM 0 H VAL A 71 4.773 1.519 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 71 7.300 0.626 -8.124 1.00 0.00 H new ATOM 0 HB VAL A 71 6.999 2.058 -5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.486 2.096 -5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.872 0.426 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.394 1.169 -7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.118 3.932 -6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.026 3.025 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.534 3.570 -7.425 1.00 0.00 H new ATOM 931 N SER A 72 6.775 -1.525 -6.829 1.00 0.00 N ATOM 932 CA SER A 72 6.693 -2.754 -6.101 1.00 0.00 C ATOM 933 C SER A 72 7.645 -2.856 -4.961 1.00 0.00 C ATOM 934 O SER A 72 8.820 -2.501 -5.045 1.00 0.00 O ATOM 935 CB SER A 72 6.827 -3.990 -7.006 1.00 0.00 C ATOM 936 OG SER A 72 8.061 -4.005 -7.712 1.00 0.00 O ATOM 0 H SER A 72 7.100 -1.657 -7.787 1.00 0.00 H new ATOM 0 HA SER A 72 5.689 -2.737 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.745 -4.893 -6.400 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.002 -4.008 -7.718 1.00 0.00 H new ATOM 0 HG SER A 72 8.107 -4.807 -8.274 1.00 0.00 H new ATOM 942 N LEU A 73 7.161 -3.397 -3.828 1.00 0.00 N ATOM 943 CA LEU A 73 7.896 -3.644 -2.626 1.00 0.00 C ATOM 944 C LEU A 73 8.685 -4.903 -2.725 1.00 0.00 C ATOM 945 O LEU A 73 8.663 -5.768 -1.851 1.00 0.00 O ATOM 946 CB LEU A 73 6.900 -3.713 -1.456 1.00 0.00 C ATOM 947 CG LEU A 73 6.324 -2.366 -0.989 1.00 0.00 C ATOM 948 CD1 LEU A 73 4.903 -2.543 -0.429 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.180 -1.737 0.123 1.00 0.00 C ATOM 0 H LEU A 73 6.185 -3.682 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 73 8.608 -2.835 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.072 -4.360 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.395 -4.188 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 73 6.316 -1.716 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.517 -1.577 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.255 -2.952 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.929 -3.226 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.741 -0.787 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.216 -2.410 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.191 -1.568 -0.248 1.00 0.00 H new ATOM 961 N GLU A 74 9.450 -5.049 -3.822 1.00 0.00 N ATOM 962 CA GLU A 74 10.251 -6.191 -4.131 1.00 0.00 C ATOM 963 C GLU A 74 11.472 -6.223 -3.277 1.00 0.00 C ATOM 964 O GLU A 74 12.391 -5.421 -3.428 1.00 0.00 O ATOM 965 CB GLU A 74 10.679 -6.214 -5.608 1.00 0.00 C ATOM 966 CG GLU A 74 11.424 -7.481 -6.029 1.00 0.00 C ATOM 967 CD GLU A 74 12.216 -7.269 -7.311 1.00 0.00 C ATOM 968 OE1 GLU A 74 11.605 -7.063 -8.394 1.00 0.00 O ATOM 969 OE2 GLU A 74 13.473 -7.272 -7.234 1.00 0.00 O ATOM 0 H GLU A 74 9.512 -4.324 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 74 9.634 -7.068 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.792 -6.104 -6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.316 -5.351 -5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.100 -7.788 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.710 -8.292 -6.172 1.00 0.00 H new ATOM 976 N GLY A 75 11.509 -7.159 -2.311 1.00 0.00 N ATOM 977 CA GLY A 75 12.576 -7.265 -1.365 1.00 0.00 C ATOM 978 C GLY A 75 12.563 -6.208 -0.315 1.00 0.00 C ATOM 979 O GLY A 75 13.616 -5.831 0.197 1.00 0.00 O ATOM 0 H GLY A 75 10.778 -7.860 -2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.525 -8.242 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.526 -7.222 -1.898 1.00 0.00 H new ATOM 983 N ALA A 76 11.379 -5.685 0.053 1.00 0.00 N ATOM 984 CA ALA A 76 11.271 -4.669 1.054 1.00 0.00 C ATOM 985 C ALA A 76 11.223 -5.205 2.444 1.00 0.00 C ATOM 986 O ALA A 76 10.561 -6.188 2.771 1.00 0.00 O ATOM 987 CB ALA A 76 10.075 -3.738 0.793 1.00 0.00 C ATOM 0 H ALA A 76 10.486 -5.971 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 76 12.190 -4.088 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.027 -2.980 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.196 -3.253 -0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.154 -4.320 0.795 1.00 0.00 H new ATOM 993 N THR A 77 11.963 -4.544 3.352 1.00 0.00 N ATOM 994 CA THR A 77 12.062 -4.845 4.746 1.00 0.00 C ATOM 995 C THR A 77 11.062 -4.016 5.477 1.00 0.00 C ATOM 996 O THR A 77 10.199 -3.384 4.870 1.00 0.00 O ATOM 997 CB THR A 77 13.428 -4.532 5.277 1.00 0.00 C ATOM 998 OG1 THR A 77 13.784 -3.179 5.037 1.00 0.00 O ATOM 999 CG2 THR A 77 14.476 -5.379 4.536 1.00 0.00 C ATOM 0 H THR A 77 12.534 -3.740 3.091 1.00 0.00 H new ATOM 0 HA THR A 77 11.875 -5.909 4.888 1.00 0.00 H new ATOM 0 HB THR A 77 13.406 -4.738 6.347 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.679 -3.007 5.397 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.469 -5.150 4.923 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.262 -6.437 4.688 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.441 -5.151 3.471 1.00 0.00 H new ATOM 1007 N HIS A 78 11.151 -3.901 6.814 1.00 0.00 N ATOM 1008 CA HIS A 78 10.421 -2.909 7.543 1.00 0.00 C ATOM 1009 C HIS A 78 10.864 -1.534 7.181 1.00 0.00 C ATOM 1010 O HIS A 78 10.041 -0.671 6.880 1.00 0.00 O ATOM 1011 CB HIS A 78 10.558 -3.076 9.065 1.00 0.00 C ATOM 1012 CG HIS A 78 10.129 -1.915 9.913 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.668 -1.728 11.159 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.269 -0.882 9.710 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.173 -0.625 11.688 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.315 -0.099 10.833 1.00 0.00 N ATOM 0 H HIS A 78 11.735 -4.502 7.396 1.00 0.00 H new ATOM 0 HA HIS A 78 9.376 -3.051 7.266 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.978 -3.949 9.365 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.602 -3.294 9.290 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.346 -2.345 11.607 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.665 -0.711 8.831 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.427 -0.221 12.657 1.00 0.00 H new ATOM 1025 N LYS A 79 12.185 -1.279 7.203 1.00 0.00 N ATOM 1026 CA LYS A 79 12.770 -0.021 6.861 1.00 0.00 C ATOM 1027 C LYS A 79 12.559 0.356 5.435 1.00 0.00 C ATOM 1028 O LYS A 79 12.102 1.459 5.136 1.00 0.00 O ATOM 1029 CB LYS A 79 14.274 -0.056 7.184 1.00 0.00 C ATOM 1030 CG LYS A 79 14.569 0.021 8.683 1.00 0.00 C ATOM 1031 CD LYS A 79 15.107 1.385 9.120 1.00 0.00 C ATOM 1032 CE LYS A 79 14.150 2.564 8.932 1.00 0.00 C ATOM 1033 NZ LYS A 79 14.852 3.832 9.230 1.00 0.00 N ATOM 0 H LYS A 79 12.875 -1.981 7.471 1.00 0.00 H new ATOM 0 HA LYS A 79 12.269 0.742 7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.704 -0.973 6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.767 0.775 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.657 -0.198 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.294 -0.750 8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.381 1.327 10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.022 1.590 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.773 2.578 7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.287 2.452 9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.197 4.630 9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.191 3.818 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.661 3.940 8.586 1.00 0.00 H new ATOM 1047 N GLN A 80 12.835 -0.552 4.482 1.00 0.00 N ATOM 1048 CA GLN A 80 12.632 -0.287 3.092 1.00 0.00 C ATOM 1049 C GLN A 80 11.202 -0.147 2.696 1.00 0.00 C ATOM 1050 O GLN A 80 10.885 0.636 1.803 1.00 0.00 O ATOM 1051 CB GLN A 80 13.364 -1.341 2.244 1.00 0.00 C ATOM 1052 CG GLN A 80 13.888 -0.719 0.949 1.00 0.00 C ATOM 1053 CD GLN A 80 14.748 -1.696 0.160 1.00 0.00 C ATOM 1054 OE1 GLN A 80 14.253 -2.612 -0.495 1.00 0.00 O ATOM 1055 NE2 GLN A 80 16.091 -1.490 0.207 1.00 0.00 N ATOM 0 H GLN A 80 13.204 -1.482 4.679 1.00 0.00 H new ATOM 0 HA GLN A 80 13.064 0.694 2.896 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.193 -1.762 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.687 -2.163 2.011 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.047 -0.397 0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.471 0.171 1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 80 16.470 -0.721 0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 80 16.720 -2.104 -0.311 1.00 0.00 H new ATOM 1064 N ALA A 81 10.255 -0.835 3.358 1.00 0.00 N ATOM 1065 CA ALA A 81 8.862 -0.563 3.182 1.00 0.00 C ATOM 1066 C ALA A 81 8.442 0.804 3.601 1.00 0.00 C ATOM 1067 O ALA A 81 7.732 1.484 2.862 1.00 0.00 O ATOM 1068 CB ALA A 81 8.007 -1.568 3.972 1.00 0.00 C ATOM 0 H ALA A 81 10.456 -1.585 4.020 1.00 0.00 H new ATOM 0 HA ALA A 81 8.703 -0.649 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.951 -1.343 3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.215 -2.578 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.248 -1.496 5.033 1.00 0.00 H new ATOM 1074 N VAL A 82 8.896 1.278 4.775 1.00 0.00 N ATOM 1075 CA VAL A 82 8.670 2.605 5.257 1.00 0.00 C ATOM 1076 C VAL A 82 9.095 3.629 4.262 1.00 0.00 C ATOM 1077 O VAL A 82 8.297 4.478 3.869 1.00 0.00 O ATOM 1078 CB VAL A 82 9.302 2.838 6.597 1.00 0.00 C ATOM 1079 CG1 VAL A 82 9.414 4.326 6.972 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.471 2.112 7.668 1.00 0.00 C ATOM 0 H VAL A 82 9.446 0.709 5.418 1.00 0.00 H new ATOM 0 HA VAL A 82 7.594 2.711 5.396 1.00 0.00 H new ATOM 0 HB VAL A 82 10.319 2.449 6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.880 4.420 7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.022 4.843 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.419 4.770 6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.920 2.273 8.648 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.454 2.503 7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.450 1.044 7.450 1.00 0.00 H new ATOM 1090 N GLU A 83 10.333 3.561 3.739 1.00 0.00 N ATOM 1091 CA GLU A 83 10.797 4.435 2.706 1.00 0.00 C ATOM 1092 C GLU A 83 9.988 4.396 1.455 1.00 0.00 C ATOM 1093 O GLU A 83 9.636 5.431 0.892 1.00 0.00 O ATOM 1094 CB GLU A 83 12.280 4.190 2.382 1.00 0.00 C ATOM 1095 CG GLU A 83 13.212 4.421 3.573 1.00 0.00 C ATOM 1096 CD GLU A 83 14.683 4.454 3.178 1.00 0.00 C ATOM 1097 OE1 GLU A 83 15.058 5.332 2.356 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.491 3.647 3.709 1.00 0.00 O ATOM 0 H GLU A 83 11.030 2.880 4.042 1.00 0.00 H new ATOM 0 HA GLU A 83 10.675 5.437 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.402 3.166 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.578 4.847 1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.950 5.362 4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.056 3.631 4.308 1.00 0.00 H new ATOM 1105 N THR A 84 9.597 3.198 0.983 1.00 0.00 N ATOM 1106 CA THR A 84 8.845 2.981 -0.214 1.00 0.00 C ATOM 1107 C THR A 84 7.460 3.530 -0.182 1.00 0.00 C ATOM 1108 O THR A 84 6.934 3.972 -1.203 1.00 0.00 O ATOM 1109 CB THR A 84 8.823 1.526 -0.577 1.00 0.00 C ATOM 1110 OG1 THR A 84 10.158 1.071 -0.737 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.110 1.182 -1.896 1.00 0.00 C ATOM 0 H THR A 84 9.820 2.329 1.468 1.00 0.00 H new ATOM 0 HA THR A 84 9.369 3.545 -0.986 1.00 0.00 H new ATOM 0 HB THR A 84 8.274 1.050 0.236 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.480 0.696 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.152 0.106 -2.063 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.069 1.500 -1.840 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.603 1.696 -2.721 1.00 0.00 H new ATOM 1119 N LEU A 85 6.818 3.581 0.999 1.00 0.00 N ATOM 1120 CA LEU A 85 5.508 4.121 1.197 1.00 0.00 C ATOM 1121 C LEU A 85 5.542 5.582 1.487 1.00 0.00 C ATOM 1122 O LEU A 85 4.816 6.377 0.891 1.00 0.00 O ATOM 1123 CB LEU A 85 4.863 3.423 2.405 1.00 0.00 C ATOM 1124 CG LEU A 85 4.470 1.954 2.171 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.421 1.207 3.514 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.096 1.793 1.499 1.00 0.00 C ATOM 0 H LEU A 85 7.234 3.227 1.860 1.00 0.00 H new ATOM 0 HA LEU A 85 4.943 3.959 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.556 3.469 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.972 3.980 2.695 1.00 0.00 H new ATOM 0 HG LEU A 85 5.228 1.542 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.142 0.167 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.402 1.246 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.684 1.677 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.880 0.733 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.328 2.242 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.105 2.289 0.529 1.00 0.00 H new ATOM 1138 N ARG A 86 6.393 6.007 2.436 1.00 0.00 N ATOM 1139 CA ARG A 86 6.428 7.346 2.939 1.00 0.00 C ATOM 1140 C ARG A 86 7.136 8.318 2.060 1.00 0.00 C ATOM 1141 O ARG A 86 6.728 9.477 1.987 1.00 0.00 O ATOM 1142 CB ARG A 86 6.883 7.336 4.409 1.00 0.00 C ATOM 1143 CG ARG A 86 7.587 8.572 4.972 1.00 0.00 C ATOM 1144 CD ARG A 86 9.076 8.556 4.621 1.00 0.00 C ATOM 1145 NE ARG A 86 9.680 9.842 5.071 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.221 10.037 6.309 1.00 0.00 C ATOM 1147 NH1 ARG A 86 10.137 9.108 7.305 1.00 0.00 N ATOM 1148 NH2 ARG A 86 10.824 11.223 6.615 1.00 0.00 N ATOM 0 H ARG A 86 7.084 5.395 2.871 1.00 0.00 H new ATOM 0 HA ARG A 86 5.412 7.740 2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.004 7.148 5.025 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.553 6.486 4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.124 9.474 4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.464 8.605 6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.571 7.715 5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.211 8.429 3.547 1.00 0.00 H new ATOM 0 HE ARG A 86 9.690 10.623 4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.655 8.225 7.139 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.557 9.297 8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.871 11.966 5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.227 11.366 7.541 1.00 0.00 H new ATOM 1162 N ASN A 87 8.189 7.927 1.322 1.00 0.00 N ATOM 1163 CA ASN A 87 9.000 8.836 0.574 1.00 0.00 C ATOM 1164 C ASN A 87 8.491 8.980 -0.818 1.00 0.00 C ATOM 1165 O ASN A 87 9.222 9.112 -1.799 1.00 0.00 O ATOM 1166 CB ASN A 87 10.470 8.387 0.616 1.00 0.00 C ATOM 1167 CG ASN A 87 11.430 9.502 0.226 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.441 10.582 0.815 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.281 9.218 -0.794 1.00 0.00 N ATOM 0 H ASN A 87 8.485 6.954 1.243 1.00 0.00 H new ATOM 0 HA ASN A 87 8.944 9.824 1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.712 8.038 1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.608 7.541 -0.057 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.963 9.913 -1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.238 8.309 -1.256 1.00 0.00 H new ATOM 1176 N THR A 88 7.151 8.982 -0.945 1.00 0.00 N ATOM 1177 CA THR A 88 6.399 9.238 -2.133 1.00 0.00 C ATOM 1178 C THR A 88 6.042 10.685 -2.153 1.00 0.00 C ATOM 1179 O THR A 88 6.243 11.404 -1.176 1.00 0.00 O ATOM 1180 CB THR A 88 5.197 8.342 -2.165 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.405 8.459 -0.991 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.694 6.887 -2.186 1.00 0.00 C ATOM 0 H THR A 88 6.545 8.788 -0.148 1.00 0.00 H new ATOM 0 HA THR A 88 6.979 9.019 -3.030 1.00 0.00 H new ATOM 0 HB THR A 88 4.604 8.620 -3.036 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.609 7.718 -0.383 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.839 6.211 -2.209 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.309 6.725 -3.071 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.286 6.692 -1.292 1.00 0.00 H new ATOM 1190 N GLY A 89 5.506 11.209 -3.271 1.00 0.00 N ATOM 1191 CA GLY A 89 5.292 12.612 -3.443 1.00 0.00 C ATOM 1192 C GLY A 89 4.021 13.080 -2.822 1.00 0.00 C ATOM 1193 O GLY A 89 4.015 13.653 -1.735 1.00 0.00 O ATOM 0 H GLY A 89 5.216 10.646 -4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.128 13.159 -3.007 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.279 12.846 -4.508 1.00 0.00 H new ATOM 1197 N GLN A 90 2.885 12.853 -3.507 1.00 0.00 N ATOM 1198 CA GLN A 90 1.592 13.212 -3.012 1.00 0.00 C ATOM 1199 C GLN A 90 0.638 12.104 -3.300 1.00 0.00 C ATOM 1200 O GLN A 90 0.059 11.543 -2.371 1.00 0.00 O ATOM 1201 CB GLN A 90 1.130 14.563 -3.583 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.201 15.051 -3.007 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.360 16.557 -3.157 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.329 17.115 -4.253 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.557 17.259 -2.009 1.00 0.00 N ATOM 0 H GLN A 90 2.865 12.410 -4.426 1.00 0.00 H new ATOM 0 HA GLN A 90 1.635 13.350 -1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.897 15.312 -3.387 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.038 14.477 -4.666 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.024 14.546 -3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.262 14.782 -1.953 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.579 16.774 -1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.683 18.271 -2.045 1.00 0.00 H new ATOM 1214 N VAL A 91 0.467 11.712 -4.575 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.362 10.603 -4.930 1.00 0.00 C ATOM 1216 C VAL A 91 0.317 9.301 -4.679 1.00 0.00 C ATOM 1217 O VAL A 91 1.449 9.044 -5.086 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.910 10.621 -6.326 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.595 9.309 -6.742 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.935 11.766 -6.380 1.00 0.00 C ATOM 0 H VAL A 91 0.910 12.171 -5.371 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.223 10.714 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.081 10.755 -7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.965 9.400 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.877 8.491 -6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.429 9.105 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.365 11.822 -7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.727 11.580 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.441 12.708 -6.144 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.407 8.402 -3.989 1.00 0.00 N ATOM 1231 CA VAL A 92 -0.064 7.020 -3.852 1.00 0.00 C ATOM 1232 C VAL A 92 -1.117 6.211 -4.528 1.00 0.00 C ATOM 1233 O VAL A 92 -2.295 6.233 -4.173 1.00 0.00 O ATOM 1234 CB VAL A 92 0.071 6.636 -2.409 1.00 0.00 C ATOM 1235 CG1 VAL A 92 1.361 7.299 -1.896 1.00 0.00 C ATOM 1236 CG2 VAL A 92 -1.172 7.030 -1.595 1.00 0.00 C ATOM 0 H VAL A 92 -1.270 8.649 -3.505 1.00 0.00 H new ATOM 0 HA VAL A 92 0.903 6.831 -4.318 1.00 0.00 H new ATOM 0 HB VAL A 92 0.140 5.554 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.505 7.049 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.211 6.938 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.282 8.381 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.034 6.735 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.316 8.109 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.048 6.526 -2.002 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.738 5.453 -5.572 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.520 4.360 -6.060 1.00 0.00 C ATOM 1248 C HIS A 93 -1.159 3.160 -5.253 1.00 0.00 C ATOM 1249 O HIS A 93 -0.131 2.533 -5.503 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.309 4.038 -7.549 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.608 5.195 -8.456 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.638 6.151 -8.676 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.750 5.518 -9.121 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -1.215 7.061 -9.437 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -2.496 6.723 -9.744 1.00 0.00 N ATOM 0 H HIS A 93 0.129 5.602 -6.088 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.568 4.643 -5.963 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.277 3.723 -7.702 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.944 3.196 -7.825 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.667 4.948 -9.155 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.729 7.964 -9.775 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.144 7.257 -10.323 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.951 2.822 -4.220 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.663 1.733 -3.339 1.00 0.00 C ATOM 1265 C LEU A 94 -2.172 0.450 -3.901 1.00 0.00 C ATOM 1266 O LEU A 94 -3.375 0.233 -4.031 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.224 1.959 -1.924 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.345 2.936 -1.125 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.223 3.692 -0.113 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.168 2.220 -0.440 1.00 0.00 C ATOM 0 H LEU A 94 -2.813 3.318 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.578 1.676 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.239 2.351 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.284 1.006 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.900 3.655 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.606 4.386 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.996 4.246 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.690 2.980 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.427 2.946 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.551 1.466 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.455 1.740 -1.195 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.250 -0.456 -4.274 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.561 -1.734 -4.836 1.00 0.00 C ATOM 1284 C LEU A 95 -1.620 -2.738 -3.737 1.00 0.00 C ATOM 1285 O LEU A 95 -0.598 -3.119 -3.167 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.485 -2.095 -5.874 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.036 -2.693 -7.179 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.133 -3.229 -8.023 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.088 -3.788 -6.935 1.00 0.00 C ATOM 0 H LEU A 95 -0.248 -0.291 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.528 -1.717 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.087 -1.199 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.209 -2.807 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.549 -1.899 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.252 -3.654 -8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.818 -2.414 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.663 -4.000 -7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.441 -4.173 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.642 -4.599 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.928 -3.369 -6.381 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.846 -3.150 -3.370 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.160 -3.863 -2.171 1.00 0.00 C ATOM 1303 C LEU A 96 -3.723 -5.209 -2.472 1.00 0.00 C ATOM 1304 O LEU A 96 -4.454 -5.387 -3.445 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.186 -3.049 -1.366 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.687 -1.653 -0.957 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.813 -0.611 -1.062 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.084 -1.645 0.459 1.00 0.00 C ATOM 0 H LEU A 96 -3.669 -2.974 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.244 -4.001 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.095 -2.941 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.454 -3.606 -0.468 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.894 -1.385 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.432 0.367 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.172 -0.566 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.634 -0.895 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.745 -0.639 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.840 -1.959 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.239 -2.332 0.498 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.400 -6.216 -1.641 1.00 0.00 N ATOM 1321 CA GLU A 97 -3.859 -7.565 -1.755 1.00 0.00 C ATOM 1322 C GLU A 97 -4.547 -7.968 -0.496 1.00 0.00 C ATOM 1323 O GLU A 97 -4.126 -7.648 0.615 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.694 -8.519 -2.075 1.00 0.00 C ATOM 1325 CG GLU A 97 -2.942 -10.028 -2.049 1.00 0.00 C ATOM 1326 CD GLU A 97 -1.774 -10.789 -2.659 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.606 -10.720 -3.906 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -0.998 -11.454 -1.923 1.00 0.00 O ATOM 0 H GLU A 97 -2.781 -6.079 -0.842 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.568 -7.627 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.323 -8.264 -3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.891 -8.305 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.096 -10.356 -1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.855 -10.258 -2.597 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.673 -8.688 -0.640 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.559 -9.037 0.427 1.00 0.00 C ATOM 1337 C LYS A 98 -6.040 -10.121 1.307 1.00 0.00 C ATOM 1338 O LYS A 98 -5.558 -11.154 0.843 1.00 0.00 O ATOM 1339 CB LYS A 98 -7.903 -9.502 -0.157 1.00 0.00 C ATOM 1340 CG LYS A 98 -8.793 -8.387 -0.710 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.469 -7.615 0.425 1.00 0.00 C ATOM 1342 CE LYS A 98 -10.248 -6.347 0.069 1.00 0.00 C ATOM 1343 NZ LYS A 98 -11.341 -6.608 -0.895 1.00 0.00 N ATOM 0 H LYS A 98 -5.981 -9.044 -1.545 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.666 -8.140 1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.706 -10.218 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.454 -10.034 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.195 -7.704 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.551 -8.813 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.154 -8.296 0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.700 -7.342 1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.665 -5.913 0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.564 -5.610 -0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.142 -5.976 -0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.000 -6.434 -1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.650 -7.597 -0.810 1.00 0.00 H new ATOM 1357 N GLY A 99 -6.175 -9.961 2.635 1.00 0.00 N ATOM 1358 CA GLY A 99 -5.934 -11.004 3.585 1.00 0.00 C ATOM 1359 C GLY A 99 -7.168 -11.790 3.859 1.00 0.00 C ATOM 1360 O GLY A 99 -7.656 -11.832 4.988 1.00 0.00 O ATOM 0 H GLY A 99 -6.460 -9.080 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.155 -11.667 3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.563 -10.572 4.514 1.00 0.00 H new ATOM 1364 N GLN A 100 -7.717 -12.437 2.815 1.00 0.00 N ATOM 1365 CA GLN A 100 -8.946 -13.166 2.828 1.00 0.00 C ATOM 1366 C GLN A 100 -8.740 -14.554 2.327 1.00 0.00 C ATOM 1367 O GLN A 100 -7.610 -14.994 2.119 1.00 0.00 O ATOM 1368 CB GLN A 100 -10.037 -12.433 2.030 1.00 0.00 C ATOM 1369 CG GLN A 100 -10.407 -11.060 2.596 1.00 0.00 C ATOM 1370 CD GLN A 100 -11.018 -11.160 3.987 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -11.732 -12.103 4.320 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -10.745 -10.127 4.830 1.00 0.00 N ATOM 0 H GLN A 100 -7.269 -12.450 1.899 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.291 -13.232 3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.700 -12.311 1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.931 -13.055 2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.516 -10.433 2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.112 -10.570 1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.148 -9.360 4.520 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.137 -10.120 5.771 1.00 0.00 H new ATOM 1381 N VAL A 101 -9.834 -15.314 2.138 1.00 0.00 N ATOM 1382 CA VAL A 101 -9.844 -16.723 1.894 1.00 0.00 C ATOM 1383 C VAL A 101 -10.704 -17.003 0.710 1.00 0.00 C ATOM 1384 O VAL A 101 -11.565 -16.177 0.409 1.00 0.00 O ATOM 1385 CB VAL A 101 -10.296 -17.408 3.149 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -11.761 -17.081 3.486 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -10.063 -18.928 3.129 1.00 0.00 C ATOM 0 H VAL A 101 -10.773 -14.917 2.157 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.854 -17.110 1.652 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.667 -17.006 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.048 -17.597 4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.871 -16.006 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.404 -17.408 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.412 -19.362 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.613 -19.369 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.999 -19.131 3.009 1.00 0.00 H new ATOM 1397 N PRO A 102 -10.573 -18.074 -0.016 1.00 0.00 N ATOM 1398 CA PRO A 102 -11.550 -18.482 -0.982 1.00 0.00 C ATOM 1399 C PRO A 102 -12.882 -18.839 -0.415 1.00 0.00 C ATOM 1400 O PRO A 102 -12.986 -19.246 0.773 1.00 0.00 O ATOM 1401 CB PRO A 102 -10.940 -19.708 -1.656 1.00 0.00 C ATOM 1402 CG PRO A 102 -9.425 -19.462 -1.564 1.00 0.00 C ATOM 1403 CD PRO A 102 -9.311 -18.777 -0.191 1.00 0.00 C ATOM 1404 OXT PRO A 102 -13.896 -18.765 -1.159 1.00 0.00 O ATOM 0 HA PRO A 102 -11.756 -17.650 -1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.227 -20.628 -1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.268 -19.800 -2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.855 -20.390 -1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.062 -18.826 -2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.152 -19.507 0.603 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.468 -18.087 -0.163 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 10.272 -3.056 17.928 1.00 0.00 N ATOM 1414 CA TYR B 205 9.788 -1.771 17.532 1.00 0.00 C ATOM 1415 C TYR B 205 8.750 -1.944 16.477 1.00 0.00 C ATOM 1416 O TYR B 205 7.557 -1.807 16.747 1.00 0.00 O ATOM 1417 CB TYR B 205 10.909 -0.834 17.053 1.00 0.00 C ATOM 1418 CG TYR B 205 11.786 -0.374 18.166 1.00 0.00 C ATOM 1419 CD1 TYR B 205 12.759 -1.205 18.670 1.00 0.00 C ATOM 1420 CD2 TYR B 205 11.677 0.900 18.671 1.00 0.00 C ATOM 1421 CE1 TYR B 205 13.601 -0.775 19.668 1.00 0.00 C ATOM 1422 CE2 TYR B 205 12.506 1.334 19.677 1.00 0.00 C ATOM 1423 CZ TYR B 205 13.474 0.495 20.179 1.00 0.00 C ATOM 1424 OH TYR B 205 14.323 0.912 21.227 1.00 0.00 O ATOM 0 HA TYR B 205 9.350 -1.292 18.408 1.00 0.00 H new ATOM 0 HB2 TYR B 205 11.515 -1.349 16.308 1.00 0.00 H new ATOM 0 HB3 TYR B 205 10.468 0.033 16.561 1.00 0.00 H new ATOM 0 HD1 TYR B 205 12.863 -2.206 18.278 1.00 0.00 H new ATOM 0 HD2 TYR B 205 10.929 1.569 18.271 1.00 0.00 H new ATOM 0 HE1 TYR B 205 14.364 -1.436 20.051 1.00 0.00 H new ATOM 0 HE2 TYR B 205 12.398 2.333 20.073 1.00 0.00 H new ATOM 0 HH TYR B 205 14.107 1.835 21.475 1.00 0.00 H new ATOM 1434 N LEU B 206 9.164 -2.219 15.228 1.00 0.00 N ATOM 1435 CA LEU B 206 8.343 -2.357 14.065 1.00 0.00 C ATOM 1436 C LEU B 206 7.469 -1.177 13.816 1.00 0.00 C ATOM 1437 O LEU B 206 7.860 -0.055 14.134 1.00 0.00 O ATOM 1438 CB LEU B 206 7.620 -3.715 14.055 1.00 0.00 C ATOM 1439 CG LEU B 206 7.015 -4.245 12.744 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.889 -3.961 11.511 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.853 -5.769 12.873 1.00 0.00 C ATOM 0 H LEU B 206 10.152 -2.356 15.016 1.00 0.00 H new ATOM 0 HA LEU B 206 9.000 -2.365 13.195 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.327 -4.463 14.414 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.814 -3.661 14.787 1.00 0.00 H new ATOM 0 HG LEU B 206 6.065 -3.733 12.595 1.00 0.00 H new ATOM 0 HD11 LEU B 206 7.404 -4.361 10.621 1.00 0.00 H new ATOM 0 HD12 LEU B 206 8.022 -2.885 11.399 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.862 -4.435 11.638 1.00 0.00 H new ATOM 0 HD21 LEU B 206 6.425 -6.168 11.954 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.828 -6.225 13.048 1.00 0.00 H new ATOM 0 HD23 LEU B 206 6.192 -5.995 13.709 1.00 0.00 H new ATOM 1453 N VAL B 207 6.277 -1.385 13.229 1.00 0.00 N ATOM 1454 CA VAL B 207 5.067 -0.629 13.321 1.00 0.00 C ATOM 1455 C VAL B 207 5.217 0.853 13.371 1.00 0.00 C ATOM 1456 O VAL B 207 5.488 1.490 14.386 1.00 0.00 O ATOM 1457 CB VAL B 207 4.112 -1.297 14.265 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.202 -0.357 15.073 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.290 -2.331 13.478 1.00 0.00 C ATOM 0 H VAL B 207 6.151 -2.187 12.612 1.00 0.00 H new ATOM 0 HA VAL B 207 4.566 -0.662 12.354 1.00 0.00 H new ATOM 0 HB VAL B 207 4.722 -1.775 15.032 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.554 -0.947 15.721 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.815 0.309 15.681 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.591 0.234 14.390 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.590 -2.827 14.150 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.737 -1.828 12.684 1.00 0.00 H new ATOM 0 HG23 VAL B 207 3.960 -3.072 13.041 1.00 0.00 H new ATOM 1469 N THR B 208 5.116 1.433 12.162 1.00 0.00 N ATOM 1470 CA THR B 208 5.532 2.769 11.866 1.00 0.00 C ATOM 1471 C THR B 208 4.430 3.278 11.003 1.00 0.00 C ATOM 1472 O THR B 208 4.123 2.644 9.995 1.00 0.00 O ATOM 1473 CB THR B 208 6.794 2.829 11.057 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.850 2.111 11.678 1.00 0.00 O ATOM 1475 CG2 THR B 208 7.279 4.277 10.870 1.00 0.00 C ATOM 0 H THR B 208 4.726 0.948 11.354 1.00 0.00 H new ATOM 0 HA THR B 208 5.723 3.325 12.784 1.00 0.00 H new ATOM 0 HB THR B 208 6.549 2.383 10.093 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.028 1.290 11.174 1.00 0.00 H new ATOM 0 HG21 THR B 208 8.195 4.280 10.279 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.512 4.854 10.353 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.474 4.724 11.845 1.00 0.00 H new ATOM 1483 N SER B 209 3.782 4.387 11.401 1.00 0.00 N ATOM 1484 CA SER B 209 2.696 4.971 10.677 1.00 0.00 C ATOM 1485 C SER B 209 3.189 5.855 9.584 1.00 0.00 C ATOM 1486 O SER B 209 4.049 6.712 9.777 1.00 0.00 O ATOM 1487 CB SER B 209 1.678 5.714 11.560 1.00 0.00 C ATOM 1488 OG SER B 209 1.256 4.878 12.627 1.00 0.00 O ATOM 0 H SER B 209 4.021 4.893 12.253 1.00 0.00 H new ATOM 0 HA SER B 209 2.156 4.130 10.241 1.00 0.00 H new ATOM 0 HB2 SER B 209 2.126 6.625 11.957 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.818 6.016 10.962 1.00 0.00 H new ATOM 0 HG SER B 209 1.245 3.945 12.327 1.00 0.00 H new ATOM 1494 N VAL B 210 2.689 5.624 8.357 1.00 0.00 N ATOM 1495 CA VAL B 210 3.261 6.104 7.138 1.00 0.00 C ATOM 1496 C VAL B 210 2.103 6.279 6.167 1.00 0.00 C ATOM 1497 O VAL B 210 0.984 5.742 6.389 1.00 0.00 O ATOM 1498 CB VAL B 210 4.256 5.191 6.485 1.00 0.00 C ATOM 1499 CG1 VAL B 210 5.599 5.252 7.229 1.00 0.00 C ATOM 1500 CG2 VAL B 210 3.729 3.748 6.406 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.320 7.027 5.176 1.00 0.00 O ATOM 0 H VAL B 210 1.843 5.074 8.208 1.00 0.00 H new ATOM 0 HA VAL B 210 3.808 7.015 7.381 1.00 0.00 H new ATOM 0 HB VAL B 210 4.411 5.533 5.462 1.00 0.00 H new ATOM 0 HG11 VAL B 210 6.313 4.585 6.746 1.00 0.00 H new ATOM 0 HG12 VAL B 210 5.982 6.272 7.206 1.00 0.00 H new ATOM 0 HG13 VAL B 210 5.456 4.942 8.264 1.00 0.00 H new ATOM 0 HG21 VAL B 210 4.475 3.114 5.927 1.00 0.00 H new ATOM 0 HG22 VAL B 210 3.529 3.378 7.412 1.00 0.00 H new ATOM 0 HG23 VAL B 210 2.808 3.728 5.823 1.00 0.00 H new TER 1511 VAL B 210