USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 767 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 33 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 88 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.4) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 1 MET CE :methyl -172:sc= -0.413 (180deg=-0.824) USER MOD Single : A 1 MET N :NH3+ -145:sc=-0.00617 (180deg=-0.192) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -1.94 X(o=-1.9,f=-1.5) USER MOD Single : A 5 ASN : amide:sc=-0.00229 X(o=-0.0023,f=-0.028) USER MOD Single : A 6 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.038) USER MOD Single : A 10 GLN : amide:sc= -3.73! C(o=-3.7!,f=-16!) USER MOD Single : A 15 CYS SG : rot -90:sc= -2.34 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0817 K(o=-0.082,f=-1.4) USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00154 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -150:sc= -1.33 USER MOD Single : A 36 ASN : amide:sc= -0.482 K(o=-0.48,f=-9.2!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.298 F(o=-1.6,f=-0.3) USER MOD Single : A 42 GLN : amide:sc=-0.000101 X(o=-0.0001,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -130:sc= -0.714 USER MOD Single : A 47 ASN : amide:sc=-0.00327 X(o=-0.0033,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= -0.0938 (180deg=-0.493) USER MOD Single : A 59 GLN : amide:sc= -0.208 K(o=-0.21,f=-0.77) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.635 K(o=-0.63,f=-2.5!) USER MOD Single : A 74 SER OG : rot -54:sc= 0.305 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.0538 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 100 HIS : no HD1:sc= -0.616 X(o=-0.62,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.980 21.108 -12.053 1.00 0.00 N ATOM 2 CA MET A 1 -3.016 22.169 -11.642 1.00 0.00 C ATOM 3 C MET A 1 -2.760 22.128 -10.135 1.00 0.00 C ATOM 4 O MET A 1 -1.641 21.856 -9.697 1.00 0.00 O ATOM 5 CB MET A 1 -3.576 23.537 -12.053 1.00 0.00 C ATOM 6 CG MET A 1 -2.528 24.478 -12.633 1.00 0.00 C ATOM 7 SD MET A 1 -2.532 24.503 -14.438 1.00 0.00 S ATOM 8 CE MET A 1 -2.278 22.770 -14.804 1.00 0.00 C ATOM 0 H1 MET A 1 -3.721 20.749 -12.994 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.952 20.329 -11.365 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.940 21.506 -12.087 1.00 0.00 H new ATOM 0 HA MET A 1 -2.063 21.996 -12.141 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.367 23.390 -12.789 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.034 24.009 -11.183 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.706 25.487 -12.260 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.541 24.177 -12.281 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.115 22.644 -15.874 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.406 22.407 -14.259 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.158 22.202 -14.502 1.00 0.00 H new ATOM 20 N SER A 2 -3.803 22.399 -9.346 1.00 0.00 N ATOM 21 CA SER A 2 -3.690 22.388 -7.889 1.00 0.00 C ATOM 22 C SER A 2 -5.073 22.346 -7.237 1.00 0.00 C ATOM 23 O SER A 2 -5.737 23.374 -7.096 1.00 0.00 O ATOM 24 CB SER A 2 -2.910 23.617 -7.407 1.00 0.00 C ATOM 25 OG SER A 2 -2.865 23.672 -5.992 1.00 0.00 O ATOM 0 H SER A 2 -4.734 22.628 -9.694 1.00 0.00 H new ATOM 0 HA SER A 2 -3.147 21.490 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.896 23.586 -7.805 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.377 24.522 -7.794 1.00 0.00 H new ATOM 0 HG SER A 2 -2.361 24.464 -5.711 1.00 0.00 H new ATOM 31 N ASN A 3 -5.501 21.144 -6.849 1.00 0.00 N ATOM 32 CA ASN A 3 -6.804 20.959 -6.217 1.00 0.00 C ATOM 33 C ASN A 3 -6.727 19.893 -5.126 1.00 0.00 C ATOM 34 O ASN A 3 -6.639 18.702 -5.426 1.00 0.00 O ATOM 35 CB ASN A 3 -7.846 20.562 -7.268 1.00 0.00 C ATOM 36 CG ASN A 3 -9.065 21.469 -7.252 1.00 0.00 C ATOM 37 OD1 ASN A 3 -9.331 22.184 -8.218 1.00 0.00 O ATOM 38 ND2 ASN A 3 -9.813 21.442 -6.153 1.00 0.00 N ATOM 0 H ASN A 3 -4.963 20.285 -6.962 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.102 21.902 -5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.389 20.591 -8.257 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.161 19.533 -7.092 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.644 22.029 -6.087 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.555 20.834 -5.376 1.00 0.00 H new ATOM 45 N HIS A 4 -6.755 20.339 -3.864 1.00 0.00 N ATOM 46 CA HIS A 4 -6.687 19.448 -2.696 1.00 0.00 C ATOM 47 C HIS A 4 -5.554 18.415 -2.816 1.00 0.00 C ATOM 48 O HIS A 4 -4.697 18.513 -3.697 1.00 0.00 O ATOM 49 CB HIS A 4 -8.040 18.748 -2.466 1.00 0.00 C ATOM 50 CG HIS A 4 -8.409 17.742 -3.516 1.00 0.00 C ATOM 51 ND1 HIS A 4 -9.392 17.964 -4.457 1.00 0.00 N ATOM 52 CD2 HIS A 4 -7.923 16.503 -3.771 1.00 0.00 C ATOM 53 CE1 HIS A 4 -9.493 16.908 -5.246 1.00 0.00 C ATOM 54 NE2 HIS A 4 -8.612 16.008 -4.851 1.00 0.00 N ATOM 0 H HIS A 4 -6.825 21.327 -3.622 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.462 20.071 -1.830 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -8.016 18.250 -1.497 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -8.822 19.505 -2.416 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -7.139 15.998 -3.226 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -10.179 16.800 -6.073 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -8.467 15.093 -5.278 1.00 0.00 H new ATOM 63 N ASN A 5 -5.552 17.435 -1.909 1.00 0.00 N ATOM 64 CA ASN A 5 -4.526 16.391 -1.897 1.00 0.00 C ATOM 65 C ASN A 5 -5.160 15.001 -1.810 1.00 0.00 C ATOM 66 O ASN A 5 -6.262 14.849 -1.276 1.00 0.00 O ATOM 67 CB ASN A 5 -3.575 16.594 -0.715 1.00 0.00 C ATOM 68 CG ASN A 5 -2.946 17.976 -0.698 1.00 0.00 C ATOM 69 OD1 ASN A 5 -2.444 18.453 -1.716 1.00 0.00 O ATOM 70 ND2 ASN A 5 -2.970 18.627 0.459 1.00 0.00 N ATOM 0 H ASN A 5 -6.251 17.343 -1.172 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.965 16.462 -2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.120 16.436 0.216 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.787 15.842 -0.755 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.562 19.559 0.528 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.396 18.195 1.279 1.00 0.00 H new ATOM 77 N HIS A 6 -4.458 13.992 -2.331 1.00 0.00 N ATOM 78 CA HIS A 6 -4.956 12.613 -2.306 1.00 0.00 C ATOM 79 C HIS A 6 -3.859 11.612 -2.673 1.00 0.00 C ATOM 80 O HIS A 6 -2.783 11.996 -3.137 1.00 0.00 O ATOM 81 CB HIS A 6 -6.141 12.460 -3.265 1.00 0.00 C ATOM 82 CG HIS A 6 -5.825 12.836 -4.682 1.00 0.00 C ATOM 83 ND1 HIS A 6 -5.934 11.956 -5.737 1.00 0.00 N ATOM 84 CD2 HIS A 6 -5.398 14.008 -5.215 1.00 0.00 C ATOM 85 CE1 HIS A 6 -5.589 12.568 -6.857 1.00 0.00 C ATOM 86 NE2 HIS A 6 -5.261 13.812 -6.566 1.00 0.00 N ATOM 0 H HIS A 6 -3.546 14.102 -2.774 1.00 0.00 H new ATOM 0 HA HIS A 6 -5.282 12.398 -1.288 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.484 11.426 -3.241 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.966 13.078 -2.910 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.203 14.924 -4.677 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.578 12.125 -7.842 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.955 14.516 -7.238 1.00 0.00 H new ATOM 95 N ILE A 7 -4.141 10.323 -2.461 1.00 0.00 N ATOM 96 CA ILE A 7 -3.182 9.264 -2.769 1.00 0.00 C ATOM 97 C ILE A 7 -3.840 8.135 -3.559 1.00 0.00 C ATOM 98 O ILE A 7 -4.950 7.702 -3.243 1.00 0.00 O ATOM 99 CB ILE A 7 -2.545 8.678 -1.487 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.018 9.801 -0.588 1.00 0.00 C ATOM 101 CG2 ILE A 7 -1.426 7.703 -1.838 1.00 0.00 C ATOM 102 CD1 ILE A 7 -0.833 10.543 -1.169 1.00 0.00 C ATOM 0 H ILE A 7 -5.026 9.990 -2.078 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.399 9.720 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.315 8.132 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.823 10.511 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.734 9.379 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.992 7.303 -0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.830 6.886 -2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.656 8.223 -2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.516 11.322 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.011 9.846 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.117 10.996 -2.119 1.00 0.00 H new ATOM 114 N THR A 8 -3.134 7.661 -4.585 1.00 0.00 N ATOM 115 CA THR A 8 -3.623 6.579 -5.436 1.00 0.00 C ATOM 116 C THR A 8 -3.267 5.214 -4.842 1.00 0.00 C ATOM 117 O THR A 8 -2.100 4.818 -4.832 1.00 0.00 O ATOM 118 CB THR A 8 -3.028 6.712 -6.842 1.00 0.00 C ATOM 119 OG1 THR A 8 -3.356 7.971 -7.409 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.498 5.642 -7.801 1.00 0.00 C ATOM 0 H THR A 8 -2.214 8.014 -4.848 1.00 0.00 H new ATOM 0 HA THR A 8 -4.709 6.652 -5.496 1.00 0.00 H new ATOM 0 HB THR A 8 -1.952 6.605 -6.707 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.966 8.038 -8.306 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.037 5.799 -8.776 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.215 4.661 -7.419 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.582 5.693 -7.900 1.00 0.00 H new ATOM 128 N VAL A 9 -4.279 4.500 -4.347 1.00 0.00 N ATOM 129 CA VAL A 9 -4.073 3.181 -3.748 1.00 0.00 C ATOM 130 C VAL A 9 -5.027 2.144 -4.346 1.00 0.00 C ATOM 131 O VAL A 9 -6.239 2.212 -4.145 1.00 0.00 O ATOM 132 CB VAL A 9 -4.253 3.230 -2.213 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.670 3.648 -1.837 1.00 0.00 C ATOM 134 CG2 VAL A 9 -3.899 1.889 -1.585 1.00 0.00 C ATOM 0 H VAL A 9 -5.250 4.813 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.049 2.884 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.569 3.982 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.766 3.673 -0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.877 4.638 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.382 2.932 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.033 1.946 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.550 1.114 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.861 1.645 -1.809 1.00 0.00 H new ATOM 144 N GLN A 10 -4.472 1.181 -5.082 1.00 0.00 N ATOM 145 CA GLN A 10 -5.281 0.134 -5.706 1.00 0.00 C ATOM 146 C GLN A 10 -4.632 -1.241 -5.561 1.00 0.00 C ATOM 147 O GLN A 10 -3.458 -1.351 -5.201 1.00 0.00 O ATOM 148 CB GLN A 10 -5.515 0.448 -7.186 1.00 0.00 C ATOM 149 CG GLN A 10 -4.251 0.804 -7.947 1.00 0.00 C ATOM 150 CD GLN A 10 -4.098 2.297 -8.146 1.00 0.00 C ATOM 151 OE1 GLN A 10 -4.300 3.078 -7.217 1.00 0.00 O ATOM 152 NE2 GLN A 10 -3.745 2.703 -9.361 1.00 0.00 N ATOM 0 H GLN A 10 -3.471 1.104 -5.260 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.240 0.110 -5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.982 -0.415 -7.661 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.220 1.276 -7.265 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.385 0.422 -7.407 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.264 0.310 -8.919 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.588 2.019 -10.102 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.631 3.698 -9.553 1.00 0.00 H new ATOM 161 N PHE A 11 -5.410 -2.284 -5.847 1.00 0.00 N ATOM 162 CA PHE A 11 -4.922 -3.655 -5.752 1.00 0.00 C ATOM 163 C PHE A 11 -5.324 -4.471 -6.977 1.00 0.00 C ATOM 164 O PHE A 11 -6.373 -4.237 -7.580 1.00 0.00 O ATOM 165 CB PHE A 11 -5.456 -4.326 -4.486 1.00 0.00 C ATOM 166 CG PHE A 11 -5.004 -3.661 -3.217 1.00 0.00 C ATOM 167 CD1 PHE A 11 -5.682 -2.559 -2.719 1.00 0.00 C ATOM 168 CD2 PHE A 11 -3.901 -4.134 -2.525 1.00 0.00 C ATOM 169 CE1 PHE A 11 -5.267 -1.943 -1.555 1.00 0.00 C ATOM 170 CE2 PHE A 11 -3.483 -3.521 -1.360 1.00 0.00 C ATOM 171 CZ PHE A 11 -4.167 -2.424 -0.874 1.00 0.00 C ATOM 0 H PHE A 11 -6.382 -2.203 -6.147 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.834 -3.616 -5.706 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.546 -4.327 -4.517 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.136 -5.368 -4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.544 -2.178 -3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.362 -4.991 -2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.803 -1.085 -1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.622 -3.899 -0.829 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.842 -1.944 0.037 1.00 0.00 H new ATOM 181 N ALA A 12 -4.477 -5.433 -7.330 1.00 0.00 N ATOM 182 CA ALA A 12 -4.719 -6.305 -8.478 1.00 0.00 C ATOM 183 C ALA A 12 -3.820 -7.537 -8.427 1.00 0.00 C ATOM 184 O ALA A 12 -2.603 -7.422 -8.267 1.00 0.00 O ATOM 185 CB ALA A 12 -4.495 -5.546 -9.779 1.00 0.00 C ATOM 0 H ALA A 12 -3.608 -5.631 -6.833 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.757 -6.636 -8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.679 -6.210 -10.624 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.178 -4.698 -9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.467 -5.186 -9.818 1.00 0.00 H new ATOM 191 N GLY A 13 -4.426 -8.714 -8.565 1.00 0.00 N ATOM 192 CA GLY A 13 -3.666 -9.955 -8.536 1.00 0.00 C ATOM 193 C GLY A 13 -3.812 -10.701 -7.223 1.00 0.00 C ATOM 194 O GLY A 13 -2.839 -11.247 -6.703 1.00 0.00 O ATOM 0 H GLY A 13 -5.431 -8.832 -8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.996 -10.597 -9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.613 -9.735 -8.709 1.00 0.00 H new ATOM 198 N GLY A 14 -5.032 -10.727 -6.685 1.00 0.00 N ATOM 199 CA GLY A 14 -5.283 -11.417 -5.429 1.00 0.00 C ATOM 200 C GLY A 14 -4.775 -10.657 -4.209 1.00 0.00 C ATOM 201 O GLY A 14 -4.590 -11.252 -3.146 1.00 0.00 O ATOM 0 H GLY A 14 -5.851 -10.282 -7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.355 -11.585 -5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.808 -12.398 -5.461 1.00 0.00 H new ATOM 205 N CYS A 15 -4.550 -9.348 -4.353 1.00 0.00 N ATOM 206 CA CYS A 15 -4.063 -8.524 -3.243 1.00 0.00 C ATOM 207 C CYS A 15 -5.131 -7.537 -2.753 1.00 0.00 C ATOM 208 O CYS A 15 -4.978 -6.928 -1.694 1.00 0.00 O ATOM 209 CB CYS A 15 -2.801 -7.761 -3.655 1.00 0.00 C ATOM 210 SG CYS A 15 -1.463 -7.841 -2.441 1.00 0.00 S ATOM 0 H CYS A 15 -4.697 -8.838 -5.224 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.826 -9.198 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.441 -8.160 -4.604 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.060 -6.716 -3.826 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.573 -6.849 -1.608 1.00 0.00 H new ATOM 216 N GLU A 16 -6.209 -7.383 -3.524 1.00 0.00 N ATOM 217 CA GLU A 16 -7.296 -6.472 -3.160 1.00 0.00 C ATOM 218 C GLU A 16 -8.079 -6.981 -1.945 1.00 0.00 C ATOM 219 O GLU A 16 -8.826 -6.223 -1.321 1.00 0.00 O ATOM 220 CB GLU A 16 -8.236 -6.266 -4.353 1.00 0.00 C ATOM 221 CG GLU A 16 -8.799 -7.557 -4.930 1.00 0.00 C ATOM 222 CD GLU A 16 -8.036 -8.039 -6.152 1.00 0.00 C ATOM 223 OE1 GLU A 16 -7.749 -7.211 -7.042 1.00 0.00 O ATOM 224 OE2 GLU A 16 -7.721 -9.246 -6.216 1.00 0.00 O ATOM 0 H GLU A 16 -6.353 -7.877 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.850 -5.515 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.064 -5.627 -4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.699 -5.734 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.776 -8.332 -4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.845 -7.404 -5.197 1.00 0.00 H new ATOM 231 N LEU A 17 -7.902 -8.261 -1.603 1.00 0.00 N ATOM 232 CA LEU A 17 -8.592 -8.857 -0.457 1.00 0.00 C ATOM 233 C LEU A 17 -8.081 -8.294 0.879 1.00 0.00 C ATOM 234 O LEU A 17 -8.628 -8.615 1.936 1.00 0.00 O ATOM 235 CB LEU A 17 -8.435 -10.381 -0.468 1.00 0.00 C ATOM 236 CG LEU A 17 -9.086 -11.097 -1.658 1.00 0.00 C ATOM 237 CD1 LEU A 17 -8.103 -12.059 -2.309 1.00 0.00 C ATOM 238 CD2 LEU A 17 -10.345 -11.829 -1.214 1.00 0.00 C ATOM 0 H LEU A 17 -7.287 -8.903 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.647 -8.599 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.372 -10.621 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.860 -10.781 0.453 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.368 -10.349 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.584 -12.557 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.233 -11.506 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.786 -12.805 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.795 -12.332 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.088 -12.567 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.055 -11.113 -0.800 1.00 0.00 H new ATOM 250 N LEU A 18 -7.037 -7.455 0.838 1.00 0.00 N ATOM 251 CA LEU A 18 -6.476 -6.863 2.056 1.00 0.00 C ATOM 252 C LEU A 18 -7.281 -5.637 2.526 1.00 0.00 C ATOM 253 O LEU A 18 -6.814 -4.875 3.373 1.00 0.00 O ATOM 254 CB LEU A 18 -5.007 -6.473 1.836 1.00 0.00 C ATOM 255 CG LEU A 18 -4.109 -7.579 1.269 1.00 0.00 C ATOM 256 CD1 LEU A 18 -2.692 -7.066 1.051 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.101 -8.787 2.193 1.00 0.00 C ATOM 0 H LEU A 18 -6.567 -7.173 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.536 -7.619 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.973 -5.619 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.590 -6.143 2.788 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.514 -7.884 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.073 -7.868 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.711 -6.234 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.277 -6.729 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.458 -9.561 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.724 -8.493 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.115 -9.173 2.296 1.00 0.00 H new ATOM 269 N PHE A 19 -8.486 -5.451 1.973 1.00 0.00 N ATOM 270 CA PHE A 19 -9.342 -4.322 2.341 1.00 0.00 C ATOM 271 C PHE A 19 -10.811 -4.667 2.111 1.00 0.00 C ATOM 272 O PHE A 19 -11.619 -4.626 3.039 1.00 0.00 O ATOM 273 CB PHE A 19 -8.955 -3.083 1.527 1.00 0.00 C ATOM 274 CG PHE A 19 -9.425 -1.781 2.120 1.00 0.00 C ATOM 275 CD1 PHE A 19 -10.779 -1.510 2.263 1.00 0.00 C ATOM 276 CD2 PHE A 19 -8.509 -0.825 2.525 1.00 0.00 C ATOM 277 CE1 PHE A 19 -11.206 -0.308 2.799 1.00 0.00 C ATOM 278 CE2 PHE A 19 -8.931 0.376 3.062 1.00 0.00 C ATOM 279 CZ PHE A 19 -10.280 0.635 3.199 1.00 0.00 C ATOM 0 H PHE A 19 -8.888 -6.070 1.269 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.200 -4.108 3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.870 -3.053 1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.365 -3.180 0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.507 -2.245 1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.452 -1.020 2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.262 -0.108 2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.205 1.112 3.375 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.611 1.574 3.618 1.00 0.00 H new ATOM 289 N ALA A 20 -11.147 -5.008 0.868 1.00 0.00 N ATOM 290 CA ALA A 20 -12.519 -5.367 0.506 1.00 0.00 C ATOM 291 C ALA A 20 -12.621 -5.732 -0.977 1.00 0.00 C ATOM 292 O ALA A 20 -13.618 -5.424 -1.632 1.00 0.00 O ATOM 293 CB ALA A 20 -13.470 -4.221 0.840 1.00 0.00 C ATOM 0 H ALA A 20 -10.486 -5.044 0.092 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.805 -6.243 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.487 -4.501 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.427 -4.012 1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.176 -3.331 0.284 1.00 0.00 H new ATOM 299 N LYS A 21 -11.580 -6.389 -1.504 1.00 0.00 N ATOM 300 CA LYS A 21 -11.548 -6.789 -2.913 1.00 0.00 C ATOM 301 C LYS A 21 -11.898 -5.607 -3.825 1.00 0.00 C ATOM 302 O LYS A 21 -12.518 -5.781 -4.878 1.00 0.00 O ATOM 303 CB LYS A 21 -12.513 -7.956 -3.161 1.00 0.00 C ATOM 304 CG LYS A 21 -12.367 -9.094 -2.161 1.00 0.00 C ATOM 305 CD LYS A 21 -13.367 -8.968 -1.021 1.00 0.00 C ATOM 306 CE LYS A 21 -13.965 -10.317 -0.648 1.00 0.00 C ATOM 307 NZ LYS A 21 -13.729 -10.660 0.784 1.00 0.00 N ATOM 0 H LYS A 21 -10.750 -6.654 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.535 -7.115 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.537 -7.583 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.349 -8.344 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.512 -10.047 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.354 -9.098 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.874 -8.535 -0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.164 -8.283 -1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.037 -10.305 -0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.533 -11.092 -1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.153 -11.586 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.706 -10.698 0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.163 -9.935 1.391 1.00 0.00 H new ATOM 321 N GLN A 22 -11.496 -4.403 -3.410 1.00 0.00 N ATOM 322 CA GLN A 22 -11.769 -3.191 -4.180 1.00 0.00 C ATOM 323 C GLN A 22 -10.724 -2.990 -5.272 1.00 0.00 C ATOM 324 O GLN A 22 -9.675 -3.637 -5.268 1.00 0.00 O ATOM 325 CB GLN A 22 -11.801 -1.970 -3.255 1.00 0.00 C ATOM 326 CG GLN A 22 -13.172 -1.691 -2.660 1.00 0.00 C ATOM 327 CD GLN A 22 -14.117 -1.029 -3.646 1.00 0.00 C ATOM 328 OE1 GLN A 22 -14.606 -1.668 -4.578 1.00 0.00 O ATOM 329 NE2 GLN A 22 -14.381 0.258 -3.447 1.00 0.00 N ATOM 0 H GLN A 22 -10.980 -4.243 -2.545 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.744 -3.305 -4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.087 -2.120 -2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.471 -1.094 -3.813 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.611 -2.627 -2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -13.060 -1.051 -1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.955 0.751 -2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.010 0.753 -4.079 1.00 0.00 H new ATOM 338 N THR A 23 -11.015 -2.087 -6.205 1.00 0.00 N ATOM 339 CA THR A 23 -10.096 -1.803 -7.301 1.00 0.00 C ATOM 340 C THR A 23 -9.097 -0.712 -6.905 1.00 0.00 C ATOM 341 O THR A 23 -7.918 -0.996 -6.709 1.00 0.00 O ATOM 342 CB THR A 23 -10.868 -1.396 -8.564 1.00 0.00 C ATOM 343 OG1 THR A 23 -11.630 -0.221 -8.338 1.00 0.00 O ATOM 344 CG2 THR A 23 -11.823 -2.466 -9.053 1.00 0.00 C ATOM 0 H THR A 23 -11.877 -1.542 -6.223 1.00 0.00 H new ATOM 0 HA THR A 23 -9.537 -2.713 -7.519 1.00 0.00 H new ATOM 0 HB THR A 23 -10.103 -1.231 -9.323 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.111 0.019 -9.157 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.336 -2.114 -9.948 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.265 -3.372 -9.287 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.556 -2.682 -8.276 1.00 0.00 H new ATOM 352 N SER A 24 -9.575 0.528 -6.780 1.00 0.00 N ATOM 353 CA SER A 24 -8.713 1.648 -6.404 1.00 0.00 C ATOM 354 C SER A 24 -9.390 2.547 -5.369 1.00 0.00 C ATOM 355 O SER A 24 -10.619 2.579 -5.270 1.00 0.00 O ATOM 356 CB SER A 24 -8.335 2.469 -7.639 1.00 0.00 C ATOM 357 OG SER A 24 -9.456 3.164 -8.161 1.00 0.00 O ATOM 0 H SER A 24 -10.551 0.780 -6.933 1.00 0.00 H new ATOM 0 HA SER A 24 -7.808 1.235 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.552 3.181 -7.379 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.925 1.810 -8.404 1.00 0.00 H new ATOM 0 HG SER A 24 -9.183 3.681 -8.948 1.00 0.00 H new ATOM 363 N LEU A 25 -8.578 3.274 -4.600 1.00 0.00 N ATOM 364 CA LEU A 25 -9.093 4.174 -3.567 1.00 0.00 C ATOM 365 C LEU A 25 -8.294 5.480 -3.513 1.00 0.00 C ATOM 366 O LEU A 25 -7.192 5.570 -4.059 1.00 0.00 O ATOM 367 CB LEU A 25 -9.047 3.486 -2.199 1.00 0.00 C ATOM 368 CG LEU A 25 -10.275 2.639 -1.849 1.00 0.00 C ATOM 369 CD1 LEU A 25 -10.100 1.208 -2.338 1.00 0.00 C ATOM 370 CD2 LEU A 25 -10.526 2.663 -0.346 1.00 0.00 C ATOM 0 H LEU A 25 -7.561 3.257 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.125 4.416 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.164 2.848 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.922 4.249 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.142 3.067 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.983 0.624 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.969 1.207 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.222 0.767 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.402 2.057 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.657 2.260 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.699 3.689 -0.022 1.00 0.00 H new ATOM 382 N GLN A 26 -8.861 6.488 -2.844 1.00 0.00 N ATOM 383 CA GLN A 26 -8.212 7.791 -2.705 1.00 0.00 C ATOM 384 C GLN A 26 -8.034 8.146 -1.230 1.00 0.00 C ATOM 385 O GLN A 26 -9.012 8.382 -0.517 1.00 0.00 O ATOM 386 CB GLN A 26 -9.035 8.873 -3.412 1.00 0.00 C ATOM 387 CG GLN A 26 -8.285 9.577 -4.533 1.00 0.00 C ATOM 388 CD GLN A 26 -9.155 9.828 -5.752 1.00 0.00 C ATOM 389 OE1 GLN A 26 -10.267 10.345 -5.641 1.00 0.00 O ATOM 390 NE2 GLN A 26 -8.650 9.465 -6.926 1.00 0.00 N ATOM 0 H GLN A 26 -9.772 6.424 -2.389 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.228 7.737 -3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.939 8.421 -3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.352 9.614 -2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.899 10.528 -4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.425 8.974 -4.824 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.724 9.040 -6.973 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.188 9.612 -7.780 1.00 0.00 H new ATOM 399 N LEU A 27 -6.782 8.177 -0.777 1.00 0.00 N ATOM 400 CA LEU A 27 -6.474 8.500 0.614 1.00 0.00 C ATOM 401 C LEU A 27 -6.105 9.974 0.762 1.00 0.00 C ATOM 402 O LEU A 27 -5.261 10.487 0.026 1.00 0.00 O ATOM 403 CB LEU A 27 -5.324 7.629 1.128 1.00 0.00 C ATOM 404 CG LEU A 27 -5.440 6.134 0.816 1.00 0.00 C ATOM 405 CD1 LEU A 27 -4.067 5.539 0.535 1.00 0.00 C ATOM 406 CD2 LEU A 27 -6.118 5.399 1.964 1.00 0.00 C ATOM 0 H LEU A 27 -5.964 7.982 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.366 8.300 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.392 8.000 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.252 7.753 2.209 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.054 6.016 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.169 4.476 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.619 6.045 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.428 5.669 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.191 4.338 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.531 5.525 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.117 5.806 2.117 1.00 0.00 H new ATOM 418 N ASP A 28 -6.733 10.646 1.723 1.00 0.00 N ATOM 419 CA ASP A 28 -6.464 12.062 1.974 1.00 0.00 C ATOM 420 C ASP A 28 -6.017 12.282 3.419 1.00 0.00 C ATOM 421 O ASP A 28 -6.839 12.510 4.309 1.00 0.00 O ATOM 422 CB ASP A 28 -7.699 12.922 1.655 1.00 0.00 C ATOM 423 CG ASP A 28 -8.983 12.375 2.257 1.00 0.00 C ATOM 424 OD1 ASP A 28 -9.479 11.341 1.763 1.00 0.00 O ATOM 425 OD2 ASP A 28 -9.497 12.988 3.216 1.00 0.00 O ATOM 0 H ASP A 28 -7.432 10.234 2.342 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.654 12.371 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.534 13.934 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.814 12.993 0.573 1.00 0.00 H new ATOM 430 N GLY A 29 -4.704 12.207 3.645 1.00 0.00 N ATOM 431 CA GLY A 29 -4.163 12.395 4.982 1.00 0.00 C ATOM 432 C GLY A 29 -4.146 13.851 5.409 1.00 0.00 C ATOM 433 O GLY A 29 -4.312 14.749 4.580 1.00 0.00 O ATOM 0 H GLY A 29 -4.007 12.019 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.755 11.819 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.148 11.999 5.018 1.00 0.00 H new ATOM 437 N VAL A 30 -3.946 14.088 6.705 1.00 0.00 N ATOM 438 CA VAL A 30 -3.914 15.446 7.243 1.00 0.00 C ATOM 439 C VAL A 30 -2.485 15.993 7.288 1.00 0.00 C ATOM 440 O VAL A 30 -2.239 17.132 6.887 1.00 0.00 O ATOM 441 CB VAL A 30 -4.528 15.512 8.658 1.00 0.00 C ATOM 442 CG1 VAL A 30 -4.683 16.959 9.104 1.00 0.00 C ATOM 443 CG2 VAL A 30 -5.870 14.791 8.701 1.00 0.00 C ATOM 0 H VAL A 30 -3.804 13.356 7.401 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.512 16.062 6.571 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.851 15.008 9.348 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.117 16.987 10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.706 17.442 9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.337 17.486 8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.283 14.851 9.708 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.558 15.261 7.998 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.730 13.745 8.428 1.00 0.00 H new ATOM 453 N VAL A 31 -1.546 15.179 7.778 1.00 0.00 N ATOM 454 CA VAL A 31 -0.147 15.590 7.874 1.00 0.00 C ATOM 455 C VAL A 31 0.791 14.516 7.309 1.00 0.00 C ATOM 456 O VAL A 31 1.498 13.836 8.055 1.00 0.00 O ATOM 457 CB VAL A 31 0.258 15.904 9.333 1.00 0.00 C ATOM 458 CG1 VAL A 31 -0.319 17.243 9.771 1.00 0.00 C ATOM 459 CG2 VAL A 31 -0.187 14.791 10.273 1.00 0.00 C ATOM 0 H VAL A 31 -1.731 14.234 8.113 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.049 16.498 7.280 1.00 0.00 H new ATOM 0 HB VAL A 31 1.345 15.967 9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.024 17.447 10.800 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.059 18.032 9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.407 17.209 9.705 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.110 15.036 11.293 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.271 14.686 10.226 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.281 13.853 9.974 1.00 0.00 H new ATOM 469 N PRO A 32 0.812 14.353 5.971 1.00 0.00 N ATOM 470 CA PRO A 32 1.659 13.369 5.299 1.00 0.00 C ATOM 471 C PRO A 32 3.071 13.888 5.004 1.00 0.00 C ATOM 472 O PRO A 32 3.770 13.334 4.155 1.00 0.00 O ATOM 473 CB PRO A 32 0.909 13.095 3.984 1.00 0.00 C ATOM 474 CG PRO A 32 -0.209 14.097 3.909 1.00 0.00 C ATOM 475 CD PRO A 32 0.018 15.105 5.001 1.00 0.00 C ATOM 0 HA PRO A 32 1.813 12.487 5.921 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.577 13.196 3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.519 12.077 3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.223 14.584 2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.174 13.606 4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.550 15.984 4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.921 15.455 5.430 1.00 0.00 H new ATOM 483 N THR A 33 3.488 14.947 5.701 1.00 0.00 N ATOM 484 CA THR A 33 4.814 15.527 5.499 1.00 0.00 C ATOM 485 C THR A 33 5.912 14.501 5.784 1.00 0.00 C ATOM 486 O THR A 33 6.725 14.195 4.911 1.00 0.00 O ATOM 487 CB THR A 33 4.997 16.758 6.391 1.00 0.00 C ATOM 488 OG1 THR A 33 3.976 17.709 6.147 1.00 0.00 O ATOM 489 CG2 THR A 33 6.329 17.451 6.191 1.00 0.00 C ATOM 0 H THR A 33 2.926 15.419 6.409 1.00 0.00 H new ATOM 0 HA THR A 33 4.895 15.830 4.455 1.00 0.00 H new ATOM 0 HB THR A 33 4.952 16.383 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.109 18.488 6.727 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.393 18.314 6.853 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.138 16.757 6.420 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.416 17.781 5.156 1.00 0.00 H new ATOM 497 N GLY A 34 5.925 13.971 7.008 1.00 0.00 N ATOM 498 CA GLY A 34 6.922 12.981 7.382 1.00 0.00 C ATOM 499 C GLY A 34 6.399 11.558 7.270 1.00 0.00 C ATOM 500 O GLY A 34 6.726 10.704 8.097 1.00 0.00 O ATOM 0 H GLY A 34 5.263 14.210 7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.799 13.094 6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.247 13.166 8.406 1.00 0.00 H new ATOM 504 N THR A 35 5.580 11.303 6.247 1.00 0.00 N ATOM 505 CA THR A 35 5.004 9.979 6.030 1.00 0.00 C ATOM 506 C THR A 35 5.692 9.264 4.869 1.00 0.00 C ATOM 507 O THR A 35 5.954 9.861 3.824 1.00 0.00 O ATOM 508 CB THR A 35 3.499 10.093 5.761 1.00 0.00 C ATOM 509 OG1 THR A 35 2.851 10.790 6.814 1.00 0.00 O ATOM 510 CG2 THR A 35 2.810 8.752 5.610 1.00 0.00 C ATOM 0 H THR A 35 5.302 12.000 5.556 1.00 0.00 H new ATOM 0 HA THR A 35 5.161 9.390 6.934 1.00 0.00 H new ATOM 0 HB THR A 35 3.418 10.633 4.818 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.930 10.467 6.902 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.748 8.908 5.422 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.251 8.209 4.774 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.935 8.174 6.525 1.00 0.00 H new ATOM 518 N ASN A 36 5.979 7.977 5.065 1.00 0.00 N ATOM 519 CA ASN A 36 6.632 7.164 4.043 1.00 0.00 C ATOM 520 C ASN A 36 5.814 5.904 3.748 1.00 0.00 C ATOM 521 O ASN A 36 4.691 5.762 4.234 1.00 0.00 O ATOM 522 CB ASN A 36 8.053 6.793 4.492 1.00 0.00 C ATOM 523 CG ASN A 36 8.080 6.080 5.833 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.687 4.920 5.938 1.00 0.00 O ATOM 525 ND2 ASN A 36 8.547 6.771 6.868 1.00 0.00 N ATOM 0 H ASN A 36 5.768 7.475 5.927 1.00 0.00 H new ATOM 0 HA ASN A 36 6.697 7.747 3.124 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.512 6.155 3.737 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.657 7.698 4.555 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.589 6.340 7.792 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.864 7.732 6.739 1.00 0.00 H new ATOM 532 N LEU A 37 6.377 4.998 2.948 1.00 0.00 N ATOM 533 CA LEU A 37 5.692 3.754 2.589 1.00 0.00 C ATOM 534 C LEU A 37 5.255 2.971 3.826 1.00 0.00 C ATOM 535 O LEU A 37 4.132 2.469 3.878 1.00 0.00 O ATOM 536 CB LEU A 37 6.592 2.882 1.710 1.00 0.00 C ATOM 537 CG LEU A 37 5.885 1.723 1.004 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.416 1.557 -0.412 1.00 0.00 C ATOM 539 CD2 LEU A 37 6.047 0.432 1.799 1.00 0.00 C ATOM 0 H LEU A 37 7.304 5.101 2.536 1.00 0.00 H new ATOM 0 HA LEU A 37 4.796 4.025 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.060 3.515 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.393 2.476 2.328 1.00 0.00 H new ATOM 0 HG LEU A 37 4.821 1.953 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.902 0.728 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.242 2.473 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.486 1.350 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.538 -0.381 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.106 0.194 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.613 0.559 2.791 1.00 0.00 H new ATOM 551 N ASN A 38 6.139 2.880 4.820 1.00 0.00 N ATOM 552 CA ASN A 38 5.824 2.167 6.058 1.00 0.00 C ATOM 553 C ASN A 38 4.573 2.760 6.702 1.00 0.00 C ATOM 554 O ASN A 38 3.757 2.040 7.281 1.00 0.00 O ATOM 555 CB ASN A 38 7.001 2.234 7.037 1.00 0.00 C ATOM 556 CG ASN A 38 6.844 1.272 8.200 1.00 0.00 C ATOM 557 OD1 ASN A 38 6.731 -0.018 7.896 1.00 0.00 O flip ATOM 558 ND2 ASN A 38 6.825 1.682 9.360 1.00 0.00 N flip ATOM 0 H ASN A 38 7.073 3.288 4.793 1.00 0.00 H new ATOM 0 HA ASN A 38 5.637 1.121 5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.925 2.008 6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.094 3.250 7.420 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.915 2.680 9.550 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.719 1.024 10.132 1.00 0.00 H new ATOM 565 N GLY A 39 4.424 4.079 6.572 1.00 0.00 N ATOM 566 CA GLY A 39 3.267 4.756 7.116 1.00 0.00 C ATOM 567 C GLY A 39 2.046 4.598 6.226 1.00 0.00 C ATOM 568 O GLY A 39 0.920 4.525 6.720 1.00 0.00 O ATOM 0 H GLY A 39 5.090 4.688 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.047 4.359 8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.491 5.816 7.239 1.00 0.00 H new ATOM 572 N LEU A 40 2.269 4.533 4.906 1.00 0.00 N ATOM 573 CA LEU A 40 1.173 4.372 3.953 1.00 0.00 C ATOM 574 C LEU A 40 0.468 3.034 4.165 1.00 0.00 C ATOM 575 O LEU A 40 -0.756 2.981 4.301 1.00 0.00 O ATOM 576 CB LEU A 40 1.689 4.459 2.512 1.00 0.00 C ATOM 577 CG LEU A 40 2.182 5.841 2.071 1.00 0.00 C ATOM 578 CD1 LEU A 40 2.971 5.736 0.773 1.00 0.00 C ATOM 579 CD2 LEU A 40 1.011 6.801 1.915 1.00 0.00 C ATOM 0 H LEU A 40 3.194 4.589 4.480 1.00 0.00 H new ATOM 0 HA LEU A 40 0.461 5.180 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.505 3.746 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.891 4.145 1.839 1.00 0.00 H new ATOM 0 HG LEU A 40 2.844 6.234 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.314 6.727 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.832 5.084 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.333 5.322 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.380 7.777 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.322 6.415 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.491 6.899 2.868 1.00 0.00 H new ATOM 591 N VAL A 41 1.254 1.955 4.198 1.00 0.00 N ATOM 592 CA VAL A 41 0.707 0.615 4.402 1.00 0.00 C ATOM 593 C VAL A 41 -0.076 0.543 5.706 1.00 0.00 C ATOM 594 O VAL A 41 -1.257 0.202 5.704 1.00 0.00 O ATOM 595 CB VAL A 41 1.796 -0.486 4.404 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.076 -0.957 2.986 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.079 -0.017 5.081 1.00 0.00 C ATOM 0 H VAL A 41 2.267 1.984 4.086 1.00 0.00 H new ATOM 0 HA VAL A 41 0.044 0.428 3.557 1.00 0.00 H new ATOM 0 HB VAL A 41 1.414 -1.326 4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.844 -1.731 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.163 -1.362 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.423 -0.116 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.816 -0.820 5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.473 0.851 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.867 0.254 6.115 1.00 0.00 H new ATOM 607 N GLN A 42 0.583 0.878 6.813 1.00 0.00 N ATOM 608 CA GLN A 42 -0.055 0.864 8.129 1.00 0.00 C ATOM 609 C GLN A 42 -1.393 1.612 8.108 1.00 0.00 C ATOM 610 O GLN A 42 -2.335 1.231 8.803 1.00 0.00 O ATOM 611 CB GLN A 42 0.873 1.490 9.171 1.00 0.00 C ATOM 612 CG GLN A 42 0.461 1.203 10.607 1.00 0.00 C ATOM 613 CD GLN A 42 0.955 2.256 11.578 1.00 0.00 C ATOM 614 OE1 GLN A 42 0.182 2.797 12.369 1.00 0.00 O ATOM 615 NE2 GLN A 42 2.250 2.553 11.525 1.00 0.00 N ATOM 0 H GLN A 42 1.562 1.164 6.825 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.250 -0.175 8.395 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.886 1.120 9.012 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.900 2.569 9.019 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.626 1.143 10.664 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.850 0.229 10.905 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.855 2.080 10.853 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.639 3.254 12.156 1.00 0.00 H new ATOM 624 N LEU A 43 -1.466 2.676 7.307 1.00 0.00 N ATOM 625 CA LEU A 43 -2.685 3.475 7.195 1.00 0.00 C ATOM 626 C LEU A 43 -3.810 2.704 6.496 1.00 0.00 C ATOM 627 O LEU A 43 -4.986 2.971 6.733 1.00 0.00 O ATOM 628 CB LEU A 43 -2.402 4.777 6.439 1.00 0.00 C ATOM 629 CG LEU A 43 -3.069 6.028 7.022 1.00 0.00 C ATOM 630 CD1 LEU A 43 -2.062 6.864 7.797 1.00 0.00 C ATOM 631 CD2 LEU A 43 -3.716 6.855 5.918 1.00 0.00 C ATOM 0 H LEU A 43 -0.694 3.004 6.726 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.015 3.707 8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.324 4.937 6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.730 4.658 5.406 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.849 5.708 7.713 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.557 7.747 8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.650 6.272 8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.256 7.173 7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.184 7.739 6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.955 7.163 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.472 6.256 5.410 1.00 0.00 H new ATOM 643 N LEU A 44 -3.448 1.756 5.624 1.00 0.00 N ATOM 644 CA LEU A 44 -4.444 0.967 4.896 1.00 0.00 C ATOM 645 C LEU A 44 -4.719 -0.380 5.569 1.00 0.00 C ATOM 646 O LEU A 44 -5.860 -0.841 5.590 1.00 0.00 O ATOM 647 CB LEU A 44 -4.013 0.763 3.433 1.00 0.00 C ATOM 648 CG LEU A 44 -3.053 -0.404 3.169 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.825 -1.667 2.808 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.072 -0.042 2.062 1.00 0.00 C ATOM 0 H LEU A 44 -2.480 1.519 5.407 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.376 1.533 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.908 0.614 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.541 1.681 3.083 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.490 -0.599 4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.124 -2.482 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.488 -1.936 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.416 -1.488 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.397 -0.880 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.621 0.180 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.494 0.833 2.360 1.00 0.00 H new ATOM 662 N LYS A 45 -3.678 -1.017 6.109 1.00 0.00 N ATOM 663 CA LYS A 45 -3.839 -2.314 6.765 1.00 0.00 C ATOM 664 C LYS A 45 -4.248 -2.164 8.230 1.00 0.00 C ATOM 665 O LYS A 45 -5.324 -2.607 8.623 1.00 0.00 O ATOM 666 CB LYS A 45 -2.560 -3.157 6.646 1.00 0.00 C ATOM 667 CG LYS A 45 -1.266 -2.367 6.752 1.00 0.00 C ATOM 668 CD LYS A 45 -0.170 -3.173 7.428 1.00 0.00 C ATOM 669 CE LYS A 45 1.200 -2.547 7.205 1.00 0.00 C ATOM 670 NZ LYS A 45 2.131 -2.830 8.330 1.00 0.00 N ATOM 0 H LYS A 45 -2.723 -0.659 6.105 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.645 -2.835 6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.569 -3.919 7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.573 -3.680 5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.938 -2.070 5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.444 -1.451 7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.372 -3.239 8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.174 -4.192 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.626 -2.928 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.091 -1.469 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.052 -2.386 8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.737 -2.444 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.256 -3.858 8.427 1.00 0.00 H new ATOM 684 N THR A 46 -3.398 -1.538 9.039 1.00 0.00 N ATOM 685 CA THR A 46 -3.704 -1.349 10.458 1.00 0.00 C ATOM 686 C THR A 46 -5.012 -0.577 10.655 1.00 0.00 C ATOM 687 O THR A 46 -5.633 -0.661 11.718 1.00 0.00 O ATOM 688 CB THR A 46 -2.554 -0.630 11.167 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.300 -1.101 10.699 1.00 0.00 O ATOM 690 CG2 THR A 46 -2.576 -0.803 12.672 1.00 0.00 C ATOM 0 H THR A 46 -2.500 -1.156 8.743 1.00 0.00 H new ATOM 0 HA THR A 46 -3.829 -2.338 10.900 1.00 0.00 H new ATOM 0 HB THR A 46 -2.690 0.427 10.936 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.732 -1.332 11.463 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.734 -0.268 13.112 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.508 -0.403 13.071 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.501 -1.862 12.918 1.00 0.00 H new ATOM 698 N ASN A 47 -5.432 0.174 9.633 1.00 0.00 N ATOM 699 CA ASN A 47 -6.666 0.950 9.708 1.00 0.00 C ATOM 700 C ASN A 47 -7.834 0.230 9.027 1.00 0.00 C ATOM 701 O ASN A 47 -8.971 0.315 9.494 1.00 0.00 O ATOM 702 CB ASN A 47 -6.463 2.331 9.076 1.00 0.00 C ATOM 703 CG ASN A 47 -6.951 3.456 9.970 1.00 0.00 C ATOM 704 OD1 ASN A 47 -7.888 4.176 9.625 1.00 0.00 O ATOM 705 ND2 ASN A 47 -6.313 3.616 11.124 1.00 0.00 N ATOM 0 H ASN A 47 -4.934 0.259 8.747 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.916 1.067 10.763 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.405 2.476 8.860 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.992 2.373 8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.595 4.359 11.764 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.541 2.996 11.370 1.00 0.00 H new ATOM 712 N TYR A 48 -7.559 -0.467 7.917 1.00 0.00 N ATOM 713 CA TYR A 48 -8.612 -1.176 7.184 1.00 0.00 C ATOM 714 C TYR A 48 -8.085 -2.422 6.461 1.00 0.00 C ATOM 715 O TYR A 48 -8.279 -2.573 5.252 1.00 0.00 O ATOM 716 CB TYR A 48 -9.261 -0.234 6.167 1.00 0.00 C ATOM 717 CG TYR A 48 -10.327 0.663 6.752 1.00 0.00 C ATOM 718 CD1 TYR A 48 -11.545 0.144 7.173 1.00 0.00 C ATOM 719 CD2 TYR A 48 -10.118 2.029 6.874 1.00 0.00 C ATOM 720 CE1 TYR A 48 -12.523 0.963 7.702 1.00 0.00 C ATOM 721 CE2 TYR A 48 -11.088 2.854 7.403 1.00 0.00 C ATOM 722 CZ TYR A 48 -12.290 2.319 7.813 1.00 0.00 C ATOM 723 OH TYR A 48 -13.263 3.137 8.337 1.00 0.00 O ATOM 0 H TYR A 48 -6.627 -0.554 7.512 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.348 -1.507 7.917 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.486 0.386 5.716 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.700 -0.828 5.366 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.730 -0.916 7.085 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.180 2.454 6.549 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.464 0.545 8.027 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.907 3.915 7.496 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.941 4.063 8.347 1.00 0.00 H new ATOM 733 N VAL A 49 -7.429 -3.317 7.195 1.00 0.00 N ATOM 734 CA VAL A 49 -6.894 -4.543 6.598 1.00 0.00 C ATOM 735 C VAL A 49 -7.978 -5.611 6.443 1.00 0.00 C ATOM 736 O VAL A 49 -8.054 -6.272 5.408 1.00 0.00 O ATOM 737 CB VAL A 49 -5.712 -5.128 7.412 1.00 0.00 C ATOM 738 CG1 VAL A 49 -6.133 -5.487 8.831 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.119 -6.339 6.703 1.00 0.00 C ATOM 0 H VAL A 49 -7.255 -3.221 8.195 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.525 -4.260 5.612 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.945 -4.357 7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.279 -5.894 9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.493 -4.593 9.341 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.929 -6.231 8.797 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.291 -6.735 7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.885 -7.107 6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.757 -6.043 5.719 1.00 0.00 H new ATOM 749 N LYS A 50 -8.802 -5.780 7.481 1.00 0.00 N ATOM 750 CA LYS A 50 -9.878 -6.781 7.483 1.00 0.00 C ATOM 751 C LYS A 50 -9.297 -8.196 7.502 1.00 0.00 C ATOM 752 O LYS A 50 -9.560 -8.967 8.425 1.00 0.00 O ATOM 753 CB LYS A 50 -10.818 -6.614 6.278 1.00 0.00 C ATOM 754 CG LYS A 50 -10.976 -5.180 5.794 1.00 0.00 C ATOM 755 CD LYS A 50 -11.323 -4.223 6.927 1.00 0.00 C ATOM 756 CE LYS A 50 -12.731 -3.659 6.780 1.00 0.00 C ATOM 757 NZ LYS A 50 -12.905 -2.909 5.504 1.00 0.00 N ATOM 0 H LYS A 50 -8.745 -5.232 8.339 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.464 -6.623 8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.444 -7.223 5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.800 -7.005 6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.051 -4.856 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.757 -5.139 5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.238 -4.743 7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.604 -3.404 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.454 -4.474 6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.946 -2.999 7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.646 -2.189 5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.010 -2.445 5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.181 -3.568 4.748 1.00 0.00 H new ATOM 771 N GLU A 51 -8.495 -8.522 6.486 1.00 0.00 N ATOM 772 CA GLU A 51 -7.861 -9.829 6.390 1.00 0.00 C ATOM 773 C GLU A 51 -6.727 -9.944 7.415 1.00 0.00 C ATOM 774 O GLU A 51 -6.601 -9.100 8.306 1.00 0.00 O ATOM 775 CB GLU A 51 -7.324 -10.049 4.970 1.00 0.00 C ATOM 776 CG GLU A 51 -7.613 -11.432 4.404 1.00 0.00 C ATOM 777 CD GLU A 51 -9.016 -11.548 3.837 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.986 -11.446 4.618 1.00 0.00 O ATOM 779 OE2 GLU A 51 -9.145 -11.736 2.608 1.00 0.00 O ATOM 0 H GLU A 51 -8.271 -7.891 5.716 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.602 -10.598 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.758 -9.299 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.246 -9.887 4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.889 -11.659 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.479 -12.177 5.188 1.00 0.00 H new ATOM 786 N ARG A 52 -5.903 -10.985 7.294 1.00 0.00 N ATOM 787 CA ARG A 52 -4.792 -11.189 8.222 1.00 0.00 C ATOM 788 C ARG A 52 -3.706 -10.128 8.037 1.00 0.00 C ATOM 789 O ARG A 52 -3.230 -9.906 6.925 1.00 0.00 O ATOM 790 CB ARG A 52 -4.189 -12.588 8.052 1.00 0.00 C ATOM 791 CG ARG A 52 -3.746 -13.220 9.363 1.00 0.00 C ATOM 792 CD ARG A 52 -4.062 -14.707 9.402 1.00 0.00 C ATOM 793 NE ARG A 52 -3.158 -15.442 10.287 1.00 0.00 N ATOM 794 CZ ARG A 52 -3.342 -16.714 10.652 1.00 0.00 C ATOM 795 NH1 ARG A 52 -4.393 -17.397 10.209 1.00 0.00 N ATOM 796 NH2 ARG A 52 -2.470 -17.305 11.461 1.00 0.00 N ATOM 0 H ARG A 52 -5.983 -11.696 6.567 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.192 -11.096 9.232 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.924 -13.236 7.575 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.333 -12.527 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.674 -13.072 9.495 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.242 -12.720 10.195 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.090 -14.849 9.736 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.994 -15.117 8.394 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.338 -14.954 10.647 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.066 -16.950 9.586 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.527 -18.368 10.492 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.660 -16.788 11.803 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.610 -18.276 11.740 1.00 0.00 H new ATOM 810 N PRO A 53 -3.290 -9.461 9.132 1.00 0.00 N ATOM 811 CA PRO A 53 -2.246 -8.433 9.074 1.00 0.00 C ATOM 812 C PRO A 53 -0.854 -9.025 8.854 1.00 0.00 C ATOM 813 O PRO A 53 0.046 -8.342 8.363 1.00 0.00 O ATOM 814 CB PRO A 53 -2.325 -7.768 10.448 1.00 0.00 C ATOM 815 CG PRO A 53 -2.872 -8.821 11.349 1.00 0.00 C ATOM 816 CD PRO A 53 -3.794 -9.662 10.505 1.00 0.00 C ATOM 0 HA PRO A 53 -2.400 -7.748 8.241 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.343 -7.432 10.782 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.972 -6.891 10.426 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.070 -9.427 11.771 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.409 -8.376 12.186 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.757 -10.712 10.796 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.831 -9.341 10.602 1.00 0.00 H new ATOM 824 N ASP A 54 -0.683 -10.295 9.226 1.00 0.00 N ATOM 825 CA ASP A 54 0.603 -10.972 9.077 1.00 0.00 C ATOM 826 C ASP A 54 0.709 -11.736 7.751 1.00 0.00 C ATOM 827 O ASP A 54 1.682 -12.459 7.530 1.00 0.00 O ATOM 828 CB ASP A 54 0.828 -11.934 10.244 1.00 0.00 C ATOM 829 CG ASP A 54 0.995 -11.211 11.566 1.00 0.00 C ATOM 830 OD1 ASP A 54 2.103 -10.697 11.828 1.00 0.00 O ATOM 831 OD2 ASP A 54 0.013 -11.154 12.338 1.00 0.00 O ATOM 0 H ASP A 54 -1.419 -10.873 9.632 1.00 0.00 H new ATOM 0 HA ASP A 54 1.374 -10.201 9.076 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.016 -12.621 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.715 -12.537 10.048 1.00 0.00 H new ATOM 836 N LEU A 55 -0.275 -11.571 6.864 1.00 0.00 N ATOM 837 CA LEU A 55 -0.249 -12.252 5.573 1.00 0.00 C ATOM 838 C LEU A 55 0.554 -11.449 4.542 1.00 0.00 C ATOM 839 O LEU A 55 1.026 -12.007 3.549 1.00 0.00 O ATOM 840 CB LEU A 55 -1.674 -12.519 5.066 1.00 0.00 C ATOM 841 CG LEU A 55 -2.431 -11.306 4.521 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.077 -11.062 3.063 1.00 0.00 C ATOM 843 CD2 LEU A 55 -3.930 -11.510 4.671 1.00 0.00 C ATOM 0 H LEU A 55 -1.091 -10.978 7.016 1.00 0.00 H new ATOM 0 HA LEU A 55 0.248 -13.212 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.623 -13.273 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.255 -12.948 5.883 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.135 -10.430 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.626 -10.195 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.006 -10.878 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.344 -11.938 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.457 -10.640 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.234 -12.398 4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.176 -11.639 5.725 1.00 0.00 H new ATOM 855 N LEU A 56 0.717 -10.144 4.786 1.00 0.00 N ATOM 856 CA LEU A 56 1.473 -9.285 3.873 1.00 0.00 C ATOM 857 C LEU A 56 2.866 -8.982 4.416 1.00 0.00 C ATOM 858 O LEU A 56 3.854 -9.112 3.695 1.00 0.00 O ATOM 859 CB LEU A 56 0.738 -7.967 3.588 1.00 0.00 C ATOM 860 CG LEU A 56 0.096 -7.270 4.792 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.097 -5.789 4.504 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.235 -7.920 5.152 1.00 0.00 C ATOM 0 H LEU A 56 0.338 -9.664 5.602 1.00 0.00 H new ATOM 0 HA LEU A 56 1.569 -9.838 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.444 -7.275 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.041 -8.163 2.851 1.00 0.00 H new ATOM 0 HG LEU A 56 0.766 -7.377 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.554 -5.307 5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.870 -5.329 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.746 -5.669 3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.670 -7.407 6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.915 -7.850 4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.072 -8.969 5.401 1.00 0.00 H new ATOM 874 N VAL A 57 2.948 -8.571 5.681 1.00 0.00 N ATOM 875 CA VAL A 57 4.239 -8.249 6.285 1.00 0.00 C ATOM 876 C VAL A 57 5.142 -9.472 6.334 1.00 0.00 C ATOM 877 O VAL A 57 4.678 -10.598 6.529 1.00 0.00 O ATOM 878 CB VAL A 57 4.101 -7.667 7.708 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.709 -6.199 7.644 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.102 -8.463 8.539 1.00 0.00 C ATOM 0 H VAL A 57 2.146 -8.454 6.300 1.00 0.00 H new ATOM 0 HA VAL A 57 4.686 -7.486 5.648 1.00 0.00 H new ATOM 0 HB VAL A 57 5.070 -7.745 8.200 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.616 -5.803 8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.475 -5.641 7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.755 -6.099 7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.028 -8.027 9.535 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.124 -8.435 8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.438 -9.497 8.619 1.00 0.00 H new ATOM 890 N ASP A 58 6.434 -9.236 6.150 1.00 0.00 N ATOM 891 CA ASP A 58 7.427 -10.305 6.164 1.00 0.00 C ATOM 892 C ASP A 58 7.486 -10.964 7.537 1.00 0.00 C ATOM 893 O ASP A 58 7.232 -12.162 7.672 1.00 0.00 O ATOM 894 CB ASP A 58 8.804 -9.755 5.784 1.00 0.00 C ATOM 895 CG ASP A 58 9.789 -10.853 5.439 1.00 0.00 C ATOM 896 OD1 ASP A 58 10.248 -11.551 6.367 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.102 -11.014 4.240 1.00 0.00 O ATOM 0 H ASP A 58 6.822 -8.307 5.988 1.00 0.00 H new ATOM 0 HA ASP A 58 7.133 -11.057 5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.701 -9.082 4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.197 -9.164 6.611 1.00 0.00 H new ATOM 902 N GLN A 59 7.813 -10.169 8.554 1.00 0.00 N ATOM 903 CA GLN A 59 7.895 -10.669 9.922 1.00 0.00 C ATOM 904 C GLN A 59 8.015 -9.524 10.925 1.00 0.00 C ATOM 905 O GLN A 59 7.341 -9.518 11.955 1.00 0.00 O ATOM 906 CB GLN A 59 9.081 -11.629 10.080 1.00 0.00 C ATOM 907 CG GLN A 59 8.983 -12.525 11.305 1.00 0.00 C ATOM 908 CD GLN A 59 10.010 -12.184 12.370 1.00 0.00 C ATOM 909 OE1 GLN A 59 11.147 -11.823 12.063 1.00 0.00 O ATOM 910 NE2 GLN A 59 9.614 -12.297 13.632 1.00 0.00 N ATOM 0 H GLN A 59 8.025 -9.176 8.455 1.00 0.00 H new ATOM 0 HA GLN A 59 6.972 -11.211 10.128 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.153 -12.253 9.189 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.002 -11.049 10.138 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.983 -12.441 11.731 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.114 -13.563 11.001 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.663 -12.599 13.843 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.261 -12.081 14.391 1.00 0.00 H new ATOM 919 N THR A 60 8.873 -8.553 10.613 1.00 0.00 N ATOM 920 CA THR A 60 9.074 -7.398 11.485 1.00 0.00 C ATOM 921 C THR A 60 7.957 -6.363 11.314 1.00 0.00 C ATOM 922 O THR A 60 7.994 -5.298 11.934 1.00 0.00 O ATOM 923 CB THR A 60 10.435 -6.750 11.206 1.00 0.00 C ATOM 924 OG1 THR A 60 10.510 -6.287 9.866 1.00 0.00 O ATOM 925 CG2 THR A 60 11.606 -7.686 11.438 1.00 0.00 C ATOM 0 H THR A 60 9.439 -8.544 9.764 1.00 0.00 H new ATOM 0 HA THR A 60 9.049 -7.754 12.515 1.00 0.00 H new ATOM 0 HB THR A 60 10.508 -5.923 11.912 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.386 -5.876 9.711 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.538 -7.163 11.222 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.608 -8.016 12.477 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.515 -8.552 10.782 1.00 0.00 H new ATOM 933 N GLY A 61 6.965 -6.674 10.469 1.00 0.00 N ATOM 934 CA GLY A 61 5.868 -5.754 10.238 1.00 0.00 C ATOM 935 C GLY A 61 6.331 -4.442 9.632 1.00 0.00 C ATOM 936 O GLY A 61 5.712 -3.399 9.844 1.00 0.00 O ATOM 0 H GLY A 61 6.908 -7.547 9.945 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.140 -6.221 9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.359 -5.556 11.181 1.00 0.00 H new ATOM 940 N GLN A 62 7.432 -4.497 8.884 1.00 0.00 N ATOM 941 CA GLN A 62 7.994 -3.306 8.250 1.00 0.00 C ATOM 942 C GLN A 62 8.134 -3.490 6.739 1.00 0.00 C ATOM 943 O GLN A 62 7.860 -2.570 5.968 1.00 0.00 O ATOM 944 CB GLN A 62 9.360 -2.977 8.863 1.00 0.00 C ATOM 945 CG GLN A 62 9.737 -1.505 8.768 1.00 0.00 C ATOM 946 CD GLN A 62 10.404 -0.986 10.030 1.00 0.00 C ATOM 947 OE1 GLN A 62 11.366 -1.575 10.525 1.00 0.00 O ATOM 948 NE2 GLN A 62 9.897 0.123 10.557 1.00 0.00 N ATOM 0 H GLN A 62 7.953 -5.355 8.702 1.00 0.00 H new ATOM 0 HA GLN A 62 7.307 -2.479 8.428 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.359 -3.275 9.911 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.125 -3.571 8.363 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.409 -1.360 7.922 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.841 -0.917 8.568 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.099 0.579 10.115 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.306 0.518 11.404 1.00 0.00 H new ATOM 957 N THR A 63 8.559 -4.681 6.323 1.00 0.00 N ATOM 958 CA THR A 63 8.733 -4.983 4.906 1.00 0.00 C ATOM 959 C THR A 63 7.740 -6.051 4.458 1.00 0.00 C ATOM 960 O THR A 63 7.537 -7.047 5.150 1.00 0.00 O ATOM 961 CB THR A 63 10.169 -5.442 4.629 1.00 0.00 C ATOM 962 OG1 THR A 63 10.330 -5.803 3.266 1.00 0.00 O ATOM 963 CG2 THR A 63 10.599 -6.628 5.468 1.00 0.00 C ATOM 0 H THR A 63 8.789 -5.453 6.949 1.00 0.00 H new ATOM 0 HA THR A 63 8.542 -4.074 4.336 1.00 0.00 H new ATOM 0 HB THR A 63 10.794 -4.588 4.891 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.254 -6.091 3.111 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.625 -6.897 5.218 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.539 -6.367 6.525 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.942 -7.474 5.265 1.00 0.00 H new ATOM 971 N LEU A 64 7.125 -5.834 3.298 1.00 0.00 N ATOM 972 CA LEU A 64 6.155 -6.776 2.752 1.00 0.00 C ATOM 973 C LEU A 64 6.842 -8.058 2.292 1.00 0.00 C ATOM 974 O LEU A 64 7.863 -8.012 1.604 1.00 0.00 O ATOM 975 CB LEU A 64 5.402 -6.131 1.584 1.00 0.00 C ATOM 976 CG LEU A 64 3.902 -5.894 1.801 1.00 0.00 C ATOM 977 CD1 LEU A 64 3.098 -7.079 1.289 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.582 -5.620 3.270 1.00 0.00 C ATOM 0 H LEU A 64 7.283 -5.011 2.717 1.00 0.00 H new ATOM 0 HA LEU A 64 5.444 -7.034 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.872 -5.174 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.527 -6.762 0.704 1.00 0.00 H new ATOM 0 HG LEU A 64 3.620 -5.007 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.036 -6.895 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.285 -7.213 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.396 -7.980 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.510 -5.457 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.886 -6.475 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.121 -4.732 3.600 1.00 0.00 H new ATOM 990 N ARG A 65 6.275 -9.198 2.679 1.00 0.00 N ATOM 991 CA ARG A 65 6.831 -10.499 2.313 1.00 0.00 C ATOM 992 C ARG A 65 6.907 -10.667 0.793 1.00 0.00 C ATOM 993 O ARG A 65 6.158 -10.028 0.051 1.00 0.00 O ATOM 994 CB ARG A 65 5.992 -11.626 2.923 1.00 0.00 C ATOM 995 CG ARG A 65 4.564 -11.686 2.398 1.00 0.00 C ATOM 996 CD ARG A 65 4.197 -13.083 1.921 1.00 0.00 C ATOM 997 NE ARG A 65 4.423 -14.095 2.954 1.00 0.00 N ATOM 998 CZ ARG A 65 5.488 -14.904 3.001 1.00 0.00 C ATOM 999 NH1 ARG A 65 6.434 -14.840 2.065 1.00 0.00 N ATOM 1000 NH2 ARG A 65 5.604 -15.784 3.989 1.00 0.00 N ATOM 0 H ARG A 65 5.429 -9.248 3.247 1.00 0.00 H new ATOM 0 HA ARG A 65 7.845 -10.551 2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.482 -12.579 2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.966 -11.501 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.874 -11.377 3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.449 -10.979 1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.149 -13.100 1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.785 -13.330 1.037 1.00 0.00 H new ATOM 0 HE ARG A 65 3.721 -14.190 3.688 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.351 -14.169 1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.241 -15.462 2.112 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.883 -15.841 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.414 -16.402 4.029 1.00 0.00 H new ATOM 1014 N PRO A 66 7.820 -11.535 0.309 1.00 0.00 N ATOM 1015 CA PRO A 66 7.995 -11.788 -1.128 1.00 0.00 C ATOM 1016 C PRO A 66 6.715 -12.295 -1.790 1.00 0.00 C ATOM 1017 O PRO A 66 6.004 -13.131 -1.228 1.00 0.00 O ATOM 1018 CB PRO A 66 9.089 -12.863 -1.186 1.00 0.00 C ATOM 1019 CG PRO A 66 9.154 -13.439 0.189 1.00 0.00 C ATOM 1020 CD PRO A 66 8.751 -12.334 1.122 1.00 0.00 C ATOM 0 HA PRO A 66 8.254 -10.876 -1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.847 -13.630 -1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.047 -12.433 -1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.485 -14.294 0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.159 -13.794 0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.272 -12.720 2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.610 -11.746 1.446 1.00 0.00 H new ATOM 1028 N GLY A 67 6.432 -11.779 -2.985 1.00 0.00 N ATOM 1029 CA GLY A 67 5.238 -12.179 -3.712 1.00 0.00 C ATOM 1030 C GLY A 67 4.526 -10.995 -4.341 1.00 0.00 C ATOM 1031 O GLY A 67 4.149 -11.042 -5.513 1.00 0.00 O ATOM 0 H GLY A 67 7.011 -11.089 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.510 -12.892 -4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.556 -12.692 -3.034 1.00 0.00 H new ATOM 1035 N ILE A 68 4.344 -9.930 -3.560 1.00 0.00 N ATOM 1036 CA ILE A 68 3.678 -8.723 -4.043 1.00 0.00 C ATOM 1037 C ILE A 68 4.695 -7.696 -4.535 1.00 0.00 C ATOM 1038 O ILE A 68 5.629 -7.339 -3.813 1.00 0.00 O ATOM 1039 CB ILE A 68 2.810 -8.077 -2.942 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.870 -9.114 -2.319 1.00 0.00 C ATOM 1041 CG2 ILE A 68 2.015 -6.906 -3.505 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.700 -8.947 -0.827 1.00 0.00 C ATOM 0 H ILE A 68 4.650 -9.880 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 68 3.036 -9.027 -4.870 1.00 0.00 H new ATOM 0 HB ILE A 68 3.471 -7.700 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.894 -9.044 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.255 -10.113 -2.524 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.409 -6.464 -2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.701 -6.156 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.365 -7.259 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.022 -9.713 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.669 -9.046 -0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.286 -7.961 -0.616 1.00 0.00 H new ATOM 1054 N LEU A 69 4.504 -7.218 -5.763 1.00 0.00 N ATOM 1055 CA LEU A 69 5.401 -6.228 -6.351 1.00 0.00 C ATOM 1056 C LEU A 69 4.823 -4.822 -6.214 1.00 0.00 C ATOM 1057 O LEU A 69 3.917 -4.438 -6.958 1.00 0.00 O ATOM 1058 CB LEU A 69 5.655 -6.548 -7.828 1.00 0.00 C ATOM 1059 CG LEU A 69 6.771 -7.563 -8.092 1.00 0.00 C ATOM 1060 CD1 LEU A 69 6.280 -8.981 -7.832 1.00 0.00 C ATOM 1061 CD2 LEU A 69 7.284 -7.427 -9.518 1.00 0.00 C ATOM 0 H LEU A 69 3.735 -7.501 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 69 6.348 -6.267 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.731 -6.926 -8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.898 -5.621 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 69 7.594 -7.357 -7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.088 -9.687 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.960 -9.071 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.440 -9.202 -8.491 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.077 -8.155 -9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.467 -7.607 -10.217 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.676 -6.421 -9.669 1.00 0.00 H new ATOM 1073 N VAL A 70 5.353 -4.056 -5.259 1.00 0.00 N ATOM 1074 CA VAL A 70 4.890 -2.689 -5.028 1.00 0.00 C ATOM 1075 C VAL A 70 5.444 -1.743 -6.092 1.00 0.00 C ATOM 1076 O VAL A 70 6.633 -1.788 -6.416 1.00 0.00 O ATOM 1077 CB VAL A 70 5.289 -2.168 -3.626 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.495 -2.878 -2.540 1.00 0.00 C ATOM 1079 CG2 VAL A 70 6.786 -2.323 -3.386 1.00 0.00 C ATOM 0 H VAL A 70 6.101 -4.359 -4.635 1.00 0.00 H new ATOM 0 HA VAL A 70 3.802 -2.713 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 70 5.051 -1.105 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.792 -2.496 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.431 -2.699 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.693 -3.949 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.036 -1.949 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.059 -3.376 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.336 -1.755 -4.137 1.00 0.00 H new ATOM 1089 N LEU A 71 4.576 -0.892 -6.637 1.00 0.00 N ATOM 1090 CA LEU A 71 4.980 0.060 -7.670 1.00 0.00 C ATOM 1091 C LEU A 71 4.534 1.481 -7.327 1.00 0.00 C ATOM 1092 O LEU A 71 3.439 1.690 -6.802 1.00 0.00 O ATOM 1093 CB LEU A 71 4.407 -0.339 -9.038 1.00 0.00 C ATOM 1094 CG LEU A 71 4.137 -1.833 -9.238 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.333 -2.055 -10.509 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.444 -2.613 -9.283 1.00 0.00 C ATOM 0 H LEU A 71 3.590 -0.842 -6.381 1.00 0.00 H new ATOM 0 HA LEU A 71 6.069 0.038 -7.717 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.474 0.203 -9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.100 -0.008 -9.812 1.00 0.00 H new ATOM 0 HG LEU A 71 3.555 -2.198 -8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.147 -3.121 -10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.382 -1.527 -10.435 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.892 -1.676 -11.364 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.231 -3.672 -9.426 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.055 -2.251 -10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.983 -2.474 -8.346 1.00 0.00 H new ATOM 1108 N VAL A 72 5.392 2.451 -7.643 1.00 0.00 N ATOM 1109 CA VAL A 72 5.098 3.859 -7.389 1.00 0.00 C ATOM 1110 C VAL A 72 4.950 4.622 -8.703 1.00 0.00 C ATOM 1111 O VAL A 72 5.925 4.807 -9.435 1.00 0.00 O ATOM 1112 CB VAL A 72 6.200 4.529 -6.540 1.00 0.00 C ATOM 1113 CG1 VAL A 72 5.770 5.924 -6.104 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.551 3.672 -5.332 1.00 0.00 C ATOM 0 H VAL A 72 6.300 2.285 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 72 4.161 3.894 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 72 7.093 4.624 -7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.561 6.378 -5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.581 6.538 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.860 5.855 -5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.329 4.165 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.665 3.537 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.911 2.699 -5.668 1.00 0.00 H new ATOM 1124 N ASN A 73 3.725 5.060 -8.994 1.00 0.00 N ATOM 1125 CA ASN A 73 3.436 5.806 -10.224 1.00 0.00 C ATOM 1126 C ASN A 73 3.828 4.996 -11.461 1.00 0.00 C ATOM 1127 O ASN A 73 4.586 5.470 -12.312 1.00 0.00 O ATOM 1128 CB ASN A 73 4.165 7.155 -10.219 1.00 0.00 C ATOM 1129 CG ASN A 73 3.454 8.200 -9.377 1.00 0.00 C ATOM 1130 OD1 ASN A 73 3.046 7.933 -8.246 1.00 0.00 O ATOM 1131 ND2 ASN A 73 3.299 9.400 -9.926 1.00 0.00 N ATOM 0 H ASN A 73 2.913 4.912 -8.394 1.00 0.00 H new ATOM 0 HA ASN A 73 2.362 5.989 -10.262 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.177 7.015 -9.840 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.256 7.519 -11.243 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.827 10.141 -9.408 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.652 9.580 -10.866 1.00 0.00 H new ATOM 1138 N SER A 74 3.310 3.770 -11.553 1.00 0.00 N ATOM 1139 CA SER A 74 3.601 2.887 -12.680 1.00 0.00 C ATOM 1140 C SER A 74 5.108 2.654 -12.826 1.00 0.00 C ATOM 1141 O SER A 74 5.669 2.791 -13.916 1.00 0.00 O ATOM 1142 CB SER A 74 3.021 3.473 -13.973 1.00 0.00 C ATOM 1143 OG SER A 74 3.134 2.557 -15.049 1.00 0.00 O ATOM 0 H SER A 74 2.684 3.366 -10.856 1.00 0.00 H new ATOM 0 HA SER A 74 3.131 1.923 -12.487 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.973 3.730 -13.820 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.543 4.397 -14.222 1.00 0.00 H new ATOM 0 HG SER A 74 4.067 2.271 -15.139 1.00 0.00 H new ATOM 1149 N CYS A 75 5.758 2.298 -11.720 1.00 0.00 N ATOM 1150 CA CYS A 75 7.197 2.041 -11.718 1.00 0.00 C ATOM 1151 C CYS A 75 7.601 1.245 -10.478 1.00 0.00 C ATOM 1152 O CYS A 75 7.013 1.411 -9.411 1.00 0.00 O ATOM 1153 CB CYS A 75 7.970 3.360 -11.774 1.00 0.00 C ATOM 1154 SG CYS A 75 9.766 3.166 -11.833 1.00 0.00 S ATOM 0 H CYS A 75 5.310 2.181 -10.811 1.00 0.00 H new ATOM 0 HA CYS A 75 7.442 1.451 -12.601 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.648 3.920 -12.652 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.709 3.958 -10.901 1.00 0.00 H new ATOM 0 HG CYS A 75 10.328 4.337 -11.881 1.00 0.00 H new ATOM 1160 N ASP A 76 8.602 0.378 -10.630 1.00 0.00 N ATOM 1161 CA ASP A 76 9.083 -0.454 -9.524 1.00 0.00 C ATOM 1162 C ASP A 76 9.378 0.385 -8.280 1.00 0.00 C ATOM 1163 O ASP A 76 10.197 1.306 -8.320 1.00 0.00 O ATOM 1164 CB ASP A 76 10.340 -1.225 -9.938 1.00 0.00 C ATOM 1165 CG ASP A 76 10.018 -2.473 -10.739 1.00 0.00 C ATOM 1166 OD1 ASP A 76 9.437 -3.415 -10.163 1.00 0.00 O ATOM 1167 OD2 ASP A 76 10.351 -2.507 -11.942 1.00 0.00 O ATOM 0 H ASP A 76 9.097 0.232 -11.510 1.00 0.00 H new ATOM 0 HA ASP A 76 8.291 -1.162 -9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.984 -0.574 -10.529 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.901 -1.504 -9.046 1.00 0.00 H new ATOM 1172 N ALA A 77 8.707 0.054 -7.178 1.00 0.00 N ATOM 1173 CA ALA A 77 8.895 0.773 -5.917 1.00 0.00 C ATOM 1174 C ALA A 77 10.099 0.242 -5.136 1.00 0.00 C ATOM 1175 O ALA A 77 10.660 0.953 -4.302 1.00 0.00 O ATOM 1176 CB ALA A 77 7.641 0.684 -5.060 1.00 0.00 C ATOM 0 H ALA A 77 8.029 -0.706 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 77 9.088 1.817 -6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.799 1.224 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.801 1.125 -5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.423 -0.361 -4.842 1.00 0.00 H new ATOM 1182 N GLU A 78 10.494 -1.004 -5.408 1.00 0.00 N ATOM 1183 CA GLU A 78 11.629 -1.613 -4.723 1.00 0.00 C ATOM 1184 C GLU A 78 12.944 -1.036 -5.232 1.00 0.00 C ATOM 1185 O GLU A 78 13.920 -0.951 -4.487 1.00 0.00 O ATOM 1186 CB GLU A 78 11.622 -3.134 -4.908 1.00 0.00 C ATOM 1187 CG GLU A 78 10.423 -3.822 -4.273 1.00 0.00 C ATOM 1188 CD GLU A 78 10.460 -3.788 -2.755 1.00 0.00 C ATOM 1189 OE1 GLU A 78 11.483 -4.207 -2.172 1.00 0.00 O ATOM 1190 OE2 GLU A 78 9.462 -3.344 -2.150 1.00 0.00 O ATOM 0 H GLU A 78 10.044 -1.607 -6.097 1.00 0.00 H new ATOM 0 HA GLU A 78 11.536 -1.387 -3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.638 -3.361 -5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.535 -3.547 -4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.508 -3.342 -4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.385 -4.859 -4.608 1.00 0.00 H new ATOM 1197 N VAL A 79 12.963 -0.636 -6.504 1.00 0.00 N ATOM 1198 CA VAL A 79 14.163 -0.067 -7.103 1.00 0.00 C ATOM 1199 C VAL A 79 14.551 1.245 -6.420 1.00 0.00 C ATOM 1200 O VAL A 79 15.732 1.505 -6.186 1.00 0.00 O ATOM 1201 CB VAL A 79 13.987 0.183 -8.617 1.00 0.00 C ATOM 1202 CG1 VAL A 79 15.286 0.691 -9.227 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.520 -1.082 -9.326 1.00 0.00 C ATOM 0 H VAL A 79 12.163 -0.696 -7.134 1.00 0.00 H new ATOM 0 HA VAL A 79 14.958 -0.799 -6.961 1.00 0.00 H new ATOM 0 HB VAL A 79 13.221 0.947 -8.749 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.144 0.862 -10.294 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.573 1.625 -8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.072 -0.050 -9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.403 -0.880 -10.391 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.258 -1.872 -9.185 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.564 -1.400 -8.910 1.00 0.00 H new ATOM 1213 N VAL A 80 13.552 2.070 -6.104 1.00 0.00 N ATOM 1214 CA VAL A 80 13.796 3.354 -5.447 1.00 0.00 C ATOM 1215 C VAL A 80 14.030 3.180 -3.945 1.00 0.00 C ATOM 1216 O VAL A 80 14.848 3.886 -3.356 1.00 0.00 O ATOM 1217 CB VAL A 80 12.630 4.343 -5.668 1.00 0.00 C ATOM 1218 CG1 VAL A 80 12.491 4.683 -7.144 1.00 0.00 C ATOM 1219 CG2 VAL A 80 11.321 3.784 -5.117 1.00 0.00 C ATOM 0 H VAL A 80 12.569 1.873 -6.292 1.00 0.00 H new ATOM 0 HA VAL A 80 14.696 3.765 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 80 12.857 5.259 -5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.665 5.381 -7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.414 5.140 -7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.294 3.773 -7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.519 4.502 -5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.084 2.848 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.425 3.602 -4.047 1.00 0.00 H new ATOM 1229 N GLY A 81 13.307 2.241 -3.332 1.00 0.00 N ATOM 1230 CA GLY A 81 13.457 2.004 -1.906 1.00 0.00 C ATOM 1231 C GLY A 81 12.810 0.709 -1.445 1.00 0.00 C ATOM 1232 O GLY A 81 13.449 -0.102 -0.774 1.00 0.00 O ATOM 0 H GLY A 81 12.623 1.644 -3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.518 1.982 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.019 2.838 -1.357 1.00 0.00 H new ATOM 1236 N GLY A 82 11.539 0.520 -1.800 1.00 0.00 N ATOM 1237 CA GLY A 82 10.823 -0.683 -1.403 1.00 0.00 C ATOM 1238 C GLY A 82 9.918 -0.450 -0.208 1.00 0.00 C ATOM 1239 O GLY A 82 8.736 -0.793 -0.240 1.00 0.00 O ATOM 0 H GLY A 82 10.993 1.179 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.227 -1.041 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.541 -1.468 -1.164 1.00 0.00 H new ATOM 1243 N MET A 83 10.478 0.135 0.849 1.00 0.00 N ATOM 1244 CA MET A 83 9.718 0.421 2.064 1.00 0.00 C ATOM 1245 C MET A 83 10.166 1.738 2.706 1.00 0.00 C ATOM 1246 O MET A 83 10.012 1.930 3.914 1.00 0.00 O ATOM 1247 CB MET A 83 9.865 -0.735 3.063 1.00 0.00 C ATOM 1248 CG MET A 83 11.302 -1.014 3.481 1.00 0.00 C ATOM 1249 SD MET A 83 11.413 -1.770 5.114 1.00 0.00 S ATOM 1250 CE MET A 83 12.951 -2.677 4.966 1.00 0.00 C ATOM 0 H MET A 83 11.456 0.420 0.888 1.00 0.00 H new ATOM 0 HA MET A 83 8.668 0.524 1.788 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.276 -0.510 3.952 1.00 0.00 H new ATOM 0 HB3 MET A 83 9.444 -1.638 2.622 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.769 -1.671 2.748 1.00 0.00 H new ATOM 0 HG3 MET A 83 11.866 -0.081 3.477 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.157 -3.199 5.900 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.870 -3.401 4.156 1.00 0.00 H new ATOM 0 HE3 MET A 83 13.764 -1.983 4.752 1.00 0.00 H new ATOM 1260 N ASP A 84 10.718 2.647 1.895 1.00 0.00 N ATOM 1261 CA ASP A 84 11.184 3.938 2.399 1.00 0.00 C ATOM 1262 C ASP A 84 10.867 5.080 1.429 1.00 0.00 C ATOM 1263 O ASP A 84 11.523 6.125 1.457 1.00 0.00 O ATOM 1264 CB ASP A 84 12.691 3.881 2.670 1.00 0.00 C ATOM 1265 CG ASP A 84 13.152 4.972 3.619 1.00 0.00 C ATOM 1266 OD1 ASP A 84 12.690 4.986 4.778 1.00 0.00 O ATOM 1267 OD2 ASP A 84 13.975 5.815 3.199 1.00 0.00 O ATOM 0 H ASP A 84 10.851 2.512 0.893 1.00 0.00 H new ATOM 0 HA ASP A 84 10.653 4.141 3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.945 2.908 3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.230 3.972 1.727 1.00 0.00 H new ATOM 1272 N TYR A 85 9.858 4.893 0.576 1.00 0.00 N ATOM 1273 CA TYR A 85 9.472 5.925 -0.381 1.00 0.00 C ATOM 1274 C TYR A 85 8.597 6.983 0.287 1.00 0.00 C ATOM 1275 O TYR A 85 7.408 6.758 0.529 1.00 0.00 O ATOM 1276 CB TYR A 85 8.729 5.306 -1.569 1.00 0.00 C ATOM 1277 CG TYR A 85 8.568 6.253 -2.737 1.00 0.00 C ATOM 1278 CD1 TYR A 85 7.465 7.092 -2.827 1.00 0.00 C ATOM 1279 CD2 TYR A 85 9.521 6.311 -3.747 1.00 0.00 C ATOM 1280 CE1 TYR A 85 7.315 7.958 -3.893 1.00 0.00 C ATOM 1281 CE2 TYR A 85 9.377 7.175 -4.816 1.00 0.00 C ATOM 1282 CZ TYR A 85 8.273 7.997 -4.882 1.00 0.00 C ATOM 1283 OH TYR A 85 8.125 8.858 -5.945 1.00 0.00 O ATOM 0 H TYR A 85 9.298 4.042 0.530 1.00 0.00 H new ATOM 0 HA TYR A 85 10.381 6.404 -0.745 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.267 4.419 -1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.744 4.976 -1.240 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.713 7.067 -2.052 1.00 0.00 H new ATOM 0 HD2 TYR A 85 10.389 5.670 -3.696 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.450 8.602 -3.951 1.00 0.00 H new ATOM 0 HE2 TYR A 85 10.125 7.206 -5.595 1.00 0.00 H new ATOM 0 HH TYR A 85 8.888 8.762 -6.552 1.00 0.00 H new ATOM 1293 N VAL A 86 9.191 8.140 0.581 1.00 0.00 N ATOM 1294 CA VAL A 86 8.463 9.237 1.216 1.00 0.00 C ATOM 1295 C VAL A 86 7.500 9.893 0.229 1.00 0.00 C ATOM 1296 O VAL A 86 7.789 9.982 -0.965 1.00 0.00 O ATOM 1297 CB VAL A 86 9.418 10.310 1.789 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.248 9.740 2.930 1.00 0.00 C ATOM 1299 CG2 VAL A 86 10.316 10.881 0.697 1.00 0.00 C ATOM 0 H VAL A 86 10.173 8.341 0.390 1.00 0.00 H new ATOM 0 HA VAL A 86 7.899 8.803 2.042 1.00 0.00 H new ATOM 0 HB VAL A 86 8.811 11.125 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.912 10.512 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.586 9.398 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.841 8.901 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.978 11.633 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.912 10.080 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.701 11.339 -0.078 1.00 0.00 H new ATOM 1309 N LEU A 87 6.355 10.349 0.735 1.00 0.00 N ATOM 1310 CA LEU A 87 5.344 10.994 -0.104 1.00 0.00 C ATOM 1311 C LEU A 87 4.498 11.975 0.712 1.00 0.00 C ATOM 1312 O LEU A 87 4.519 11.948 1.944 1.00 0.00 O ATOM 1313 CB LEU A 87 4.451 9.937 -0.780 1.00 0.00 C ATOM 1314 CG LEU A 87 3.419 9.233 0.119 1.00 0.00 C ATOM 1315 CD1 LEU A 87 4.030 8.823 1.453 1.00 0.00 C ATOM 1316 CD2 LEU A 87 2.200 10.118 0.338 1.00 0.00 C ATOM 0 H LEU A 87 6.104 10.284 1.721 1.00 0.00 H new ATOM 0 HA LEU A 87 5.858 11.560 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.918 10.416 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.096 9.176 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 87 3.100 8.326 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.274 8.329 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.860 8.138 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.394 9.709 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.484 9.600 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.507 11.048 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.735 10.341 -0.622 1.00 0.00 H new ATOM 1328 N ASN A 88 3.755 12.837 0.016 1.00 0.00 N ATOM 1329 CA ASN A 88 2.898 13.826 0.672 1.00 0.00 C ATOM 1330 C ASN A 88 1.514 13.876 0.018 1.00 0.00 C ATOM 1331 O ASN A 88 0.511 13.546 0.652 1.00 0.00 O ATOM 1332 CB ASN A 88 3.553 15.212 0.625 1.00 0.00 C ATOM 1333 CG ASN A 88 3.019 16.149 1.693 1.00 0.00 C ATOM 1334 OD1 ASN A 88 1.816 16.402 1.771 1.00 0.00 O ATOM 1335 ND2 ASN A 88 3.912 16.669 2.529 1.00 0.00 N ATOM 0 H ASN A 88 3.729 12.870 -1.003 1.00 0.00 H new ATOM 0 HA ASN A 88 2.773 13.526 1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 88 4.631 15.104 0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.387 15.655 -0.357 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.610 17.303 3.269 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.900 16.434 2.431 1.00 0.00 H new ATOM 1342 N ASP A 89 1.468 14.292 -1.250 1.00 0.00 N ATOM 1343 CA ASP A 89 0.204 14.386 -1.985 1.00 0.00 C ATOM 1344 C ASP A 89 0.405 14.070 -3.465 1.00 0.00 C ATOM 1345 O ASP A 89 1.325 14.587 -4.100 1.00 0.00 O ATOM 1346 CB ASP A 89 -0.409 15.781 -1.829 1.00 0.00 C ATOM 1347 CG ASP A 89 0.514 16.886 -2.308 1.00 0.00 C ATOM 1348 OD1 ASP A 89 1.533 17.146 -1.632 1.00 0.00 O ATOM 1349 OD2 ASP A 89 0.219 17.492 -3.361 1.00 0.00 O ATOM 0 H ASP A 89 2.289 14.569 -1.788 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.480 13.649 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.344 15.827 -2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.656 15.949 -0.781 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.462 13.213 -4.005 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.368 12.831 -5.407 1.00 0.00 C ATOM 1356 C GLY A 90 0.490 11.595 -5.627 1.00 0.00 C ATOM 1357 O GLY A 90 0.979 11.367 -6.734 1.00 0.00 O ATOM 0 H GLY A 90 -1.230 12.776 -3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.369 12.646 -5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.047 13.662 -5.978 1.00 0.00 H new ATOM 1361 N ASP A 91 0.668 10.789 -4.575 1.00 0.00 N ATOM 1362 CA ASP A 91 1.468 9.570 -4.669 1.00 0.00 C ATOM 1363 C ASP A 91 0.626 8.396 -5.160 1.00 0.00 C ATOM 1364 O ASP A 91 -0.605 8.452 -5.144 1.00 0.00 O ATOM 1365 CB ASP A 91 2.089 9.232 -3.309 1.00 0.00 C ATOM 1366 CG ASP A 91 3.367 8.430 -3.439 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.289 8.895 -4.140 1.00 0.00 O ATOM 1368 OD2 ASP A 91 3.447 7.338 -2.841 1.00 0.00 O ATOM 0 H ASP A 91 0.269 10.961 -3.652 1.00 0.00 H new ATOM 0 HA ASP A 91 2.264 9.748 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.297 10.155 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.369 8.669 -2.714 1.00 0.00 H new ATOM 1373 N THR A 92 1.299 7.331 -5.598 1.00 0.00 N ATOM 1374 CA THR A 92 0.617 6.141 -6.095 1.00 0.00 C ATOM 1375 C THR A 92 1.308 4.870 -5.602 1.00 0.00 C ATOM 1376 O THR A 92 2.525 4.729 -5.724 1.00 0.00 O ATOM 1377 CB THR A 92 0.576 6.151 -7.627 1.00 0.00 C ATOM 1378 OG1 THR A 92 -0.102 7.302 -8.105 1.00 0.00 O ATOM 1379 CG2 THR A 92 -0.102 4.933 -8.222 1.00 0.00 C ATOM 0 H THR A 92 2.317 7.271 -5.618 1.00 0.00 H new ATOM 0 HA THR A 92 -0.403 6.152 -5.711 1.00 0.00 H new ATOM 0 HB THR A 92 1.620 6.150 -7.941 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.116 7.290 -9.085 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.095 5.007 -9.309 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.432 4.033 -7.916 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.132 4.881 -7.869 1.00 0.00 H new ATOM 1387 N VAL A 93 0.519 3.949 -5.050 1.00 0.00 N ATOM 1388 CA VAL A 93 1.048 2.685 -4.542 1.00 0.00 C ATOM 1389 C VAL A 93 0.099 1.531 -4.870 1.00 0.00 C ATOM 1390 O VAL A 93 -1.085 1.572 -4.529 1.00 0.00 O ATOM 1391 CB VAL A 93 1.298 2.746 -3.016 1.00 0.00 C ATOM 1392 CG1 VAL A 93 0.032 3.147 -2.270 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.836 1.416 -2.504 1.00 0.00 C ATOM 0 H VAL A 93 -0.490 4.055 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 93 2.004 2.510 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 93 2.051 3.511 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.236 3.182 -1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.295 4.130 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.753 2.416 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.005 1.481 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.113 0.627 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.776 1.187 -3.005 1.00 0.00 H new ATOM 1403 N GLU A 94 0.626 0.512 -5.551 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.176 -0.645 -5.944 1.00 0.00 C ATOM 1405 C GLU A 94 0.467 -1.952 -5.482 1.00 0.00 C ATOM 1406 O GLU A 94 1.678 -2.137 -5.600 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.357 -0.665 -7.465 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.639 0.705 -8.065 1.00 0.00 C ATOM 1409 CD GLU A 94 -0.618 0.696 -9.581 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -1.651 0.338 -10.185 1.00 0.00 O ATOM 1411 OE2 GLU A 94 0.430 1.047 -10.165 1.00 0.00 O ATOM 0 H GLU A 94 1.603 0.465 -5.841 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.150 -0.557 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.543 -1.075 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.177 -1.338 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.613 1.054 -7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.102 1.416 -7.700 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.362 -2.858 -4.961 1.00 0.00 N ATOM 1419 CA PHE A 95 0.112 -4.157 -4.484 1.00 0.00 C ATOM 1420 C PHE A 95 -0.316 -5.269 -5.441 1.00 0.00 C ATOM 1421 O PHE A 95 -1.483 -5.662 -5.470 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.431 -4.440 -3.077 1.00 0.00 C ATOM 1423 CG PHE A 95 0.368 -3.797 -1.975 1.00 0.00 C ATOM 1424 CD1 PHE A 95 0.771 -2.474 -2.067 1.00 0.00 C ATOM 1425 CD2 PHE A 95 0.713 -4.519 -0.843 1.00 0.00 C ATOM 1426 CE1 PHE A 95 1.503 -1.884 -1.055 1.00 0.00 C ATOM 1427 CE2 PHE A 95 1.445 -3.935 0.172 1.00 0.00 C ATOM 1428 CZ PHE A 95 1.841 -2.617 0.066 1.00 0.00 C ATOM 0 H PHE A 95 -1.367 -2.715 -4.859 1.00 0.00 H new ATOM 0 HA PHE A 95 1.201 -4.130 -4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.461 -4.089 -3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.452 -5.518 -2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.509 -1.897 -2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.406 -5.550 -0.754 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.810 -0.852 -1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.707 -4.509 1.048 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.414 -2.159 0.859 1.00 0.00 H new ATOM 1438 N ILE A 96 0.638 -5.765 -6.229 1.00 0.00 N ATOM 1439 CA ILE A 96 0.362 -6.828 -7.193 1.00 0.00 C ATOM 1440 C ILE A 96 0.995 -8.147 -6.755 1.00 0.00 C ATOM 1441 O ILE A 96 2.209 -8.330 -6.863 1.00 0.00 O ATOM 1442 CB ILE A 96 0.882 -6.462 -8.601 1.00 0.00 C ATOM 1443 CG1 ILE A 96 0.402 -5.065 -9.006 1.00 0.00 C ATOM 1444 CG2 ILE A 96 0.429 -7.496 -9.624 1.00 0.00 C ATOM 1445 CD1 ILE A 96 1.165 -4.482 -10.177 1.00 0.00 C ATOM 0 H ILE A 96 1.607 -5.448 -6.218 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.721 -6.944 -7.233 1.00 0.00 H new ATOM 0 HB ILE A 96 1.972 -6.458 -8.573 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.657 -5.112 -9.260 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.496 -4.395 -8.151 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.805 -7.221 -10.610 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.818 -8.476 -9.347 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.660 -7.531 -9.648 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.773 -3.492 -10.410 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.221 -4.403 -9.920 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.051 -5.131 -11.045 1.00 0.00 H new ATOM 1457 N SER A 97 0.166 -9.066 -6.261 1.00 0.00 N ATOM 1458 CA SER A 97 0.646 -10.370 -5.810 1.00 0.00 C ATOM 1459 C SER A 97 0.745 -11.351 -6.976 1.00 0.00 C ATOM 1460 O SER A 97 -0.120 -11.378 -7.852 1.00 0.00 O ATOM 1461 CB SER A 97 -0.277 -10.935 -4.726 1.00 0.00 C ATOM 1462 OG SER A 97 0.192 -12.189 -4.259 1.00 0.00 O ATOM 0 H SER A 97 -0.840 -8.931 -6.163 1.00 0.00 H new ATOM 0 HA SER A 97 1.643 -10.233 -5.391 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.338 -10.233 -3.894 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.286 -11.046 -5.124 1.00 0.00 H new ATOM 0 HG SER A 97 -0.413 -12.527 -3.567 1.00 0.00 H new ATOM 1468 N THR A 98 1.806 -12.156 -6.976 1.00 0.00 N ATOM 1469 CA THR A 98 2.026 -13.145 -8.030 1.00 0.00 C ATOM 1470 C THR A 98 2.556 -14.455 -7.448 1.00 0.00 C ATOM 1471 O THR A 98 1.976 -15.519 -7.667 1.00 0.00 O ATOM 1472 CB THR A 98 2.999 -12.602 -9.083 1.00 0.00 C ATOM 1473 OG1 THR A 98 4.188 -12.122 -8.476 1.00 0.00 O ATOM 1474 CG2 THR A 98 2.416 -11.476 -9.910 1.00 0.00 C ATOM 0 H THR A 98 2.528 -12.143 -6.256 1.00 0.00 H new ATOM 0 HA THR A 98 1.067 -13.345 -8.509 1.00 0.00 H new ATOM 0 HB THR A 98 3.209 -13.445 -9.741 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.794 -11.782 -9.167 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.155 -11.137 -10.636 1.00 0.00 H new ATOM 0 HG22 THR A 98 1.529 -11.831 -10.434 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.144 -10.648 -9.256 1.00 0.00 H new ATOM 1482 N LEU A 99 3.662 -14.369 -6.709 1.00 0.00 N ATOM 1483 CA LEU A 99 4.269 -15.546 -6.095 1.00 0.00 C ATOM 1484 C LEU A 99 3.626 -15.843 -4.743 1.00 0.00 C ATOM 1485 O LEU A 99 4.163 -15.483 -3.692 1.00 0.00 O ATOM 1486 CB LEU A 99 5.780 -15.343 -5.931 1.00 0.00 C ATOM 1487 CG LEU A 99 6.628 -16.609 -6.077 1.00 0.00 C ATOM 1488 CD1 LEU A 99 7.103 -16.769 -7.514 1.00 0.00 C ATOM 1489 CD2 LEU A 99 7.809 -16.573 -5.118 1.00 0.00 C ATOM 0 H LEU A 99 4.155 -13.496 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 99 4.099 -16.400 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.115 -14.614 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.968 -14.911 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 99 6.010 -17.471 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.704 -17.674 -7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.240 -16.842 -8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.705 -15.905 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.401 -17.481 -5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.430 -15.704 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.444 -16.508 -4.093 1.00 0.00 H new ATOM 1501 N HIS A 100 2.467 -16.501 -4.775 1.00 0.00 N ATOM 1502 CA HIS A 100 1.749 -16.846 -3.551 1.00 0.00 C ATOM 1503 C HIS A 100 2.063 -18.278 -3.120 1.00 0.00 C ATOM 1504 O HIS A 100 1.695 -19.240 -3.797 1.00 0.00 O ATOM 1505 CB HIS A 100 0.237 -16.657 -3.734 1.00 0.00 C ATOM 1506 CG HIS A 100 -0.370 -17.514 -4.805 1.00 0.00 C ATOM 1507 ND1 HIS A 100 -1.063 -18.676 -4.537 1.00 0.00 N ATOM 1508 CD2 HIS A 100 -0.390 -17.370 -6.152 1.00 0.00 C ATOM 1509 CE1 HIS A 100 -1.482 -19.210 -5.669 1.00 0.00 C ATOM 1510 NE2 HIS A 100 -1.087 -18.437 -6.666 1.00 0.00 N ATOM 0 H HIS A 100 2.007 -16.805 -5.634 1.00 0.00 H new ATOM 0 HA HIS A 100 2.085 -16.172 -2.763 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -0.261 -16.872 -2.788 1.00 0.00 H new ATOM 0 HB3 HIS A 100 0.040 -15.611 -3.968 1.00 0.00 H new ATOM 0 HD2 HIS A 100 0.058 -16.566 -6.717 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -2.051 -20.123 -5.764 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -1.270 -18.605 -7.655 1.00 0.00 H new ATOM 1519 N GLY A 101 2.751 -18.403 -1.986 1.00 0.00 N ATOM 1520 CA GLY A 101 3.114 -19.711 -1.474 1.00 0.00 C ATOM 1521 C GLY A 101 4.608 -19.964 -1.547 1.00 0.00 C ATOM 1522 O GLY A 101 5.407 -19.098 -1.183 1.00 0.00 O ATOM 0 H GLY A 101 3.063 -17.619 -1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.783 -19.798 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 101 2.590 -20.479 -2.042 1.00 0.00 H new ATOM 1526 N GLY A 102 4.984 -21.151 -2.018 1.00 0.00 N ATOM 1527 CA GLY A 102 6.390 -21.497 -2.131 1.00 0.00 C ATOM 1528 C GLY A 102 6.744 -22.053 -3.495 1.00 0.00 C ATOM 1529 O GLY A 102 7.039 -21.251 -4.407 1.00 0.00 O ATOM 0 H GLY A 102 4.339 -21.879 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.995 -20.612 -1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.642 -22.232 -1.366 1.00 0.00 H new TER 1533 GLY A 102