USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1014 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 29 GLN : amide:sc= 0.419 K(o=1.6,f=-13!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 172:sc= 1.16 (180deg=0) USER MOD Set 2.1: A 1 MET N :NH3+ 140:sc= 0.659 (180deg=0.672) USER MOD Set 2.2: A 110 TYR OH : rot 30:sc= 0.236 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-7.4e-05) USER MOD Single : A 8 LYS NZ :NH3+ -109:sc= 0.107 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 58:sc= 0.0816 USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 0.597 (180deg=0.499) USER MOD Single : A 31 SER OG : rot -150:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 34 SER OG : rot 26:sc= 1.02 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 45 ASN : amide:sc= 0.895 K(o=0.89,f=-0.53) USER MOD Single : A 51 SER OG : rot 180:sc=0.000249 USER MOD Single : A 53 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.7) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0.969 K(o=0.97,f=-4.8!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 63 GLN : amide:sc= -0.042 X(o=-0.042,f=-0.51) USER MOD Single : A 65 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.26) USER MOD Single : A 67 ASN : amide:sc= -0.0768 K(o=-0.077,f=-1.7) USER MOD Single : A 68 ASN : amide:sc= -1.8 K(o=-1.8,f=-3) USER MOD Single : A 72 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.055) USER MOD Single : A 73 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.43) USER MOD Single : A 74 LYS NZ :NH3+ 137:sc= 1.22 (180deg=0.432) USER MOD Single : A 80 SER OG : rot 88:sc= 1.13 USER MOD Single : A 81 MET CE :methyl -149:sc= -0.366 (180deg=-1.41) USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= 1.16 (180deg=0.796) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.058) USER MOD Single : A 101 THR OG1 : rot -112:sc= 0.253 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0.818 K(o=0.82,f=-0.4) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN :FLIP amide:sc= -0.0184 F(o=-1.6,f=-0.018) USER MOD Single : A 126 ASN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.800 14.766 3.446 1.00 0.00 N ATOM 2 CA MET A 1 -4.869 13.785 3.709 1.00 0.00 C ATOM 3 C MET A 1 -4.996 13.419 5.199 1.00 0.00 C ATOM 4 O MET A 1 -5.501 12.339 5.515 1.00 0.00 O ATOM 5 CB MET A 1 -4.691 12.537 2.819 1.00 0.00 C ATOM 6 CG MET A 1 -3.458 11.691 3.171 1.00 0.00 C ATOM 7 SD MET A 1 -3.409 10.082 2.344 1.00 0.00 S ATOM 8 CE MET A 1 -2.150 9.256 3.354 1.00 0.00 C ATOM 0 H1 MET A 1 -3.300 14.509 2.571 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.216 15.713 3.341 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.128 14.769 4.240 1.00 0.00 H new ATOM 0 HA MET A 1 -5.814 14.260 3.444 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.582 11.914 2.901 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.618 12.853 1.778 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.560 12.250 2.909 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.433 11.535 4.249 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.992 8.244 2.982 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.215 9.814 3.298 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.485 9.213 4.390 1.00 0.00 H new ATOM 18 N LYS A 2 -4.535 14.269 6.131 1.00 0.00 N ATOM 19 CA LYS A 2 -4.642 14.001 7.564 1.00 0.00 C ATOM 20 C LYS A 2 -6.103 14.048 8.030 1.00 0.00 C ATOM 21 O LYS A 2 -7.006 14.405 7.261 1.00 0.00 O ATOM 22 CB LYS A 2 -3.726 14.950 8.367 1.00 0.00 C ATOM 23 CG LYS A 2 -2.279 14.425 8.407 1.00 0.00 C ATOM 24 CD LYS A 2 -1.477 14.945 9.603 1.00 0.00 C ATOM 25 CE LYS A 2 -1.245 16.457 9.546 1.00 0.00 C ATOM 26 NZ LYS A 2 -0.630 16.956 10.789 1.00 0.00 N ATOM 0 H LYS A 2 -4.081 15.155 5.908 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.292 12.987 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.743 15.943 7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.106 15.053 9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.296 13.336 8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.771 14.711 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.004 14.697 10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.514 14.435 9.639 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.602 16.696 8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.194 16.966 9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.486 17.984 10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.256 16.749 11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.287 16.488 10.935 1.00 0.00 H new ATOM 40 N ALA A 3 -6.291 13.719 9.307 1.00 0.00 N ATOM 41 CA ALA A 3 -7.537 13.534 10.037 1.00 0.00 C ATOM 42 C ALA A 3 -8.213 12.245 9.563 1.00 0.00 C ATOM 43 O ALA A 3 -7.809 11.643 8.559 1.00 0.00 O ATOM 44 CB ALA A 3 -8.447 14.769 9.973 1.00 0.00 C ATOM 0 H ALA A 3 -5.488 13.560 9.916 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.315 13.423 11.098 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.362 14.576 10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.930 15.625 10.406 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -8.697 14.983 8.934 1.00 0.00 H new ATOM 50 N LEU A 4 -9.223 11.790 10.306 1.00 0.00 N ATOM 51 CA LEU A 4 -9.878 10.514 10.046 1.00 0.00 C ATOM 52 C LEU A 4 -10.805 10.713 8.853 1.00 0.00 C ATOM 53 O LEU A 4 -10.453 10.412 7.710 1.00 0.00 O ATOM 54 CB LEU A 4 -10.637 10.013 11.297 1.00 0.00 C ATOM 55 CG LEU A 4 -9.793 9.377 12.421 1.00 0.00 C ATOM 56 CD1 LEU A 4 -9.192 8.042 11.991 1.00 0.00 C ATOM 57 CD2 LEU A 4 -8.672 10.277 12.946 1.00 0.00 C ATOM 0 H LEU A 4 -9.607 12.297 11.103 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.143 9.743 9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.185 10.855 11.720 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.377 9.281 10.974 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.500 9.224 13.236 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.605 7.627 12.810 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.993 7.350 11.731 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.548 8.195 11.125 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.126 9.757 13.733 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.990 10.521 12.132 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.101 11.195 13.348 1.00 0.00 H new ATOM 69 N GLU A 5 -11.977 11.279 9.116 1.00 0.00 N ATOM 70 CA GLU A 5 -13.054 11.505 8.183 1.00 0.00 C ATOM 71 C GLU A 5 -13.881 12.675 8.729 1.00 0.00 C ATOM 72 O GLU A 5 -13.669 13.129 9.860 1.00 0.00 O ATOM 73 CB GLU A 5 -13.873 10.213 8.024 1.00 0.00 C ATOM 74 CG GLU A 5 -14.479 9.722 9.351 1.00 0.00 C ATOM 75 CD GLU A 5 -15.478 8.581 9.172 1.00 0.00 C ATOM 76 OE1 GLU A 5 -15.280 7.716 8.290 1.00 0.00 O ATOM 77 OE2 GLU A 5 -16.455 8.519 9.958 1.00 0.00 O ATOM 0 H GLU A 5 -12.207 11.612 10.052 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.694 11.764 7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.674 10.383 7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.234 9.432 7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.675 9.392 10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.975 10.556 9.847 1.00 0.00 H new ATOM 84 N HIS A 6 -14.857 13.103 7.935 1.00 0.00 N ATOM 85 CA HIS A 6 -15.770 14.248 8.032 1.00 0.00 C ATOM 86 C HIS A 6 -16.014 14.723 6.604 1.00 0.00 C ATOM 87 O HIS A 6 -17.157 14.988 6.220 1.00 0.00 O ATOM 88 CB HIS A 6 -15.238 15.394 8.911 1.00 0.00 C ATOM 89 CG HIS A 6 -16.011 16.685 8.790 1.00 0.00 C ATOM 90 ND1 HIS A 6 -15.450 17.926 8.565 1.00 0.00 N ATOM 91 CD2 HIS A 6 -17.362 16.850 8.927 1.00 0.00 C ATOM 92 CE1 HIS A 6 -16.443 18.833 8.592 1.00 0.00 C ATOM 93 NE2 HIS A 6 -17.612 18.204 8.816 1.00 0.00 N ATOM 0 H HIS A 6 -15.058 12.580 7.083 1.00 0.00 H new ATOM 0 HA HIS A 6 -16.690 13.934 8.524 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -15.252 15.073 9.953 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -14.197 15.583 8.649 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -18.093 16.072 9.090 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -16.322 19.897 8.456 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -18.526 18.651 8.891 1.00 0.00 H new ATOM 102 N GLU A 7 -14.947 14.782 5.806 1.00 0.00 N ATOM 103 CA GLU A 7 -14.991 15.120 4.394 1.00 0.00 C ATOM 104 C GLU A 7 -14.073 14.201 3.583 1.00 0.00 C ATOM 105 O GLU A 7 -14.517 13.661 2.564 1.00 0.00 O ATOM 106 CB GLU A 7 -14.640 16.603 4.241 1.00 0.00 C ATOM 107 CG GLU A 7 -14.793 17.101 2.800 1.00 0.00 C ATOM 108 CD GLU A 7 -14.313 18.547 2.716 1.00 0.00 C ATOM 109 OE1 GLU A 7 -13.077 18.740 2.790 1.00 0.00 O ATOM 110 OE2 GLU A 7 -15.137 19.489 2.687 1.00 0.00 O ATOM 0 H GLU A 7 -14.003 14.589 6.140 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.993 14.962 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.282 17.193 4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.614 16.765 4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.215 16.473 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.835 17.032 2.487 1.00 0.00 H new ATOM 117 N LYS A 8 -12.850 13.983 4.084 1.00 0.00 N ATOM 118 CA LYS A 8 -11.743 13.176 3.572 1.00 0.00 C ATOM 119 C LYS A 8 -11.266 13.622 2.184 1.00 0.00 C ATOM 120 O LYS A 8 -11.953 14.391 1.506 1.00 0.00 O ATOM 121 CB LYS A 8 -12.124 11.691 3.697 1.00 0.00 C ATOM 122 CG LYS A 8 -10.921 10.775 3.951 1.00 0.00 C ATOM 123 CD LYS A 8 -11.418 9.366 4.299 1.00 0.00 C ATOM 124 CE LYS A 8 -10.296 8.324 4.249 1.00 0.00 C ATOM 125 NZ LYS A 8 -9.337 8.433 5.370 1.00 0.00 N ATOM 0 H LYS A 8 -12.585 14.424 4.965 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.852 13.334 4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.839 11.574 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.627 11.374 2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.284 10.740 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.315 11.170 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.858 9.375 5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.208 9.080 3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.737 7.327 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.756 8.429 3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.428 8.794 5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.713 9.086 6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.194 7.496 5.797 1.00 0.00 H new ATOM 139 N THR A 9 -10.072 13.186 1.766 1.00 0.00 N ATOM 140 CA THR A 9 -9.442 13.623 0.524 1.00 0.00 C ATOM 141 C THR A 9 -8.925 12.458 -0.338 1.00 0.00 C ATOM 142 O THR A 9 -7.704 12.288 -0.463 1.00 0.00 O ATOM 143 CB THR A 9 -8.300 14.598 0.828 1.00 0.00 C ATOM 144 OG1 THR A 9 -7.331 13.971 1.649 1.00 0.00 O ATOM 145 CG2 THR A 9 -8.755 15.864 1.549 1.00 0.00 C ATOM 0 H THR A 9 -9.513 12.512 2.290 1.00 0.00 H new ATOM 0 HA THR A 9 -10.216 14.123 -0.058 1.00 0.00 H new ATOM 0 HB THR A 9 -7.892 14.882 -0.142 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.993 13.168 1.201 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.895 16.508 1.732 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.480 16.394 0.931 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.216 15.596 2.500 1.00 0.00 H new ATOM 153 N PRO A 10 -9.797 11.678 -0.990 1.00 0.00 N ATOM 154 CA PRO A 10 -9.342 10.604 -1.857 1.00 0.00 C ATOM 155 C PRO A 10 -8.606 11.110 -3.107 1.00 0.00 C ATOM 156 O PRO A 10 -7.953 10.302 -3.765 1.00 0.00 O ATOM 157 CB PRO A 10 -10.594 9.786 -2.186 1.00 0.00 C ATOM 158 CG PRO A 10 -11.719 10.806 -2.051 1.00 0.00 C ATOM 159 CD PRO A 10 -11.247 11.720 -0.924 1.00 0.00 C ATOM 0 HA PRO A 10 -8.592 9.989 -1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.549 9.366 -3.191 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.722 8.951 -1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.871 11.359 -2.978 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.667 10.326 -1.807 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.619 12.736 -1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.608 11.373 0.044 1.00 0.00 H new ATOM 167 N GLU A 11 -8.655 12.407 -3.453 1.00 0.00 N ATOM 168 CA GLU A 11 -7.904 12.904 -4.613 1.00 0.00 C ATOM 169 C GLU A 11 -6.436 13.041 -4.269 1.00 0.00 C ATOM 170 O GLU A 11 -5.602 12.440 -4.940 1.00 0.00 O ATOM 171 CB GLU A 11 -8.461 14.220 -5.170 1.00 0.00 C ATOM 172 CG GLU A 11 -9.499 13.984 -6.275 1.00 0.00 C ATOM 173 CD GLU A 11 -8.817 14.133 -7.638 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.090 13.212 -8.083 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.885 15.251 -8.205 1.00 0.00 O ATOM 0 H GLU A 11 -9.195 13.116 -2.957 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.019 12.165 -5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.916 14.792 -4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.642 14.822 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.933 12.989 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.317 14.699 -6.183 1.00 0.00 H new ATOM 182 N LEU A 12 -6.096 13.784 -3.211 1.00 0.00 N ATOM 183 CA LEU A 12 -4.691 13.920 -2.850 1.00 0.00 C ATOM 184 C LEU A 12 -4.145 12.570 -2.432 1.00 0.00 C ATOM 185 O LEU A 12 -3.001 12.269 -2.733 1.00 0.00 O ATOM 186 CB LEU A 12 -4.428 14.965 -1.764 1.00 0.00 C ATOM 187 CG LEU A 12 -2.902 15.105 -1.517 1.00 0.00 C ATOM 188 CD1 LEU A 12 -2.460 16.562 -1.567 1.00 0.00 C ATOM 189 CD2 LEU A 12 -2.471 14.481 -0.181 1.00 0.00 C ATOM 0 H LEU A 12 -6.752 14.283 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.172 14.282 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.845 15.926 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.929 14.675 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.412 14.558 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.386 16.623 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.690 16.979 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.987 17.129 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.396 14.603 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.993 14.977 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.718 13.419 -0.179 1.00 0.00 H new ATOM 201 N ALA A 13 -4.952 11.729 -1.790 1.00 0.00 N ATOM 202 CA ALA A 13 -4.492 10.408 -1.414 1.00 0.00 C ATOM 203 C ALA A 13 -4.169 9.570 -2.644 1.00 0.00 C ATOM 204 O ALA A 13 -3.265 8.742 -2.572 1.00 0.00 O ATOM 205 CB ALA A 13 -5.550 9.713 -0.562 1.00 0.00 C ATOM 0 H ALA A 13 -5.914 11.941 -1.525 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.577 10.515 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.198 8.720 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.735 10.299 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.475 9.623 -1.132 1.00 0.00 H new ATOM 211 N ALA A 14 -4.856 9.799 -3.765 1.00 0.00 N ATOM 212 CA ALA A 14 -4.541 9.137 -5.023 1.00 0.00 C ATOM 213 C ALA A 14 -3.352 9.798 -5.736 1.00 0.00 C ATOM 214 O ALA A 14 -2.534 9.089 -6.319 1.00 0.00 O ATOM 215 CB ALA A 14 -5.774 9.106 -5.914 1.00 0.00 C ATOM 0 H ALA A 14 -5.642 10.446 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.242 8.112 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.532 8.609 -6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.573 8.561 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.102 10.125 -6.117 1.00 0.00 H new ATOM 221 N LYS A 15 -3.210 11.129 -5.666 1.00 0.00 N ATOM 222 CA LYS A 15 -2.034 11.832 -6.205 1.00 0.00 C ATOM 223 C LYS A 15 -0.771 11.391 -5.471 1.00 0.00 C ATOM 224 O LYS A 15 0.268 11.163 -6.089 1.00 0.00 O ATOM 225 CB LYS A 15 -2.199 13.365 -6.119 1.00 0.00 C ATOM 226 CG LYS A 15 -2.819 13.995 -7.376 1.00 0.00 C ATOM 227 CD LYS A 15 -4.347 13.935 -7.501 1.00 0.00 C ATOM 228 CE LYS A 15 -4.704 14.502 -8.882 1.00 0.00 C ATOM 229 NZ LYS A 15 -6.092 14.989 -8.992 1.00 0.00 N ATOM 0 H LYS A 15 -3.900 11.746 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.943 11.568 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.823 13.606 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.223 13.816 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.516 15.041 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.388 13.505 -8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.703 12.910 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.822 14.516 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.023 15.321 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.541 13.730 -9.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.236 15.417 -9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.750 14.193 -8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.270 15.701 -8.255 1.00 0.00 H new ATOM 243 N LEU A 16 -0.876 11.252 -4.156 1.00 0.00 N ATOM 244 CA LEU A 16 0.160 10.767 -3.270 1.00 0.00 C ATOM 245 C LEU A 16 0.444 9.298 -3.570 1.00 0.00 C ATOM 246 O LEU A 16 1.594 8.881 -3.643 1.00 0.00 O ATOM 247 CB LEU A 16 -0.388 10.961 -1.857 1.00 0.00 C ATOM 248 CG LEU A 16 0.473 10.399 -0.730 1.00 0.00 C ATOM 249 CD1 LEU A 16 1.802 11.145 -0.633 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.376 10.538 0.539 1.00 0.00 C ATOM 0 H LEU A 16 -1.734 11.489 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 16 1.104 11.299 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.528 12.028 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.373 10.498 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 16 0.746 9.357 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.397 10.725 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.346 11.043 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.613 12.200 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.181 10.153 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.613 11.589 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.300 9.971 0.423 1.00 0.00 H new ATOM 262 N ALA A 17 -0.606 8.504 -3.781 1.00 0.00 N ATOM 263 CA ALA A 17 -0.476 7.109 -4.149 1.00 0.00 C ATOM 264 C ALA A 17 0.276 6.932 -5.468 1.00 0.00 C ATOM 265 O ALA A 17 0.979 5.937 -5.619 1.00 0.00 O ATOM 266 CB ALA A 17 -1.869 6.505 -4.277 1.00 0.00 C ATOM 0 H ALA A 17 -1.572 8.820 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 17 0.098 6.604 -3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.786 5.454 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.391 6.589 -3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.428 7.039 -5.045 1.00 0.00 H new ATOM 272 N ALA A 18 0.140 7.871 -6.412 1.00 0.00 N ATOM 273 CA ALA A 18 0.874 7.845 -7.668 1.00 0.00 C ATOM 274 C ALA A 18 2.374 8.043 -7.434 1.00 0.00 C ATOM 275 O ALA A 18 3.175 7.420 -8.128 1.00 0.00 O ATOM 276 CB ALA A 18 0.314 8.891 -8.632 1.00 0.00 C ATOM 0 H ALA A 18 -0.487 8.670 -6.319 1.00 0.00 H new ATOM 0 HA ALA A 18 0.745 6.863 -8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.873 8.860 -9.567 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.737 8.678 -8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.406 9.882 -8.187 1.00 0.00 H new ATOM 282 N GLU A 19 2.766 8.868 -6.460 1.00 0.00 N ATOM 283 CA GLU A 19 4.171 9.016 -6.081 1.00 0.00 C ATOM 284 C GLU A 19 4.652 7.693 -5.476 1.00 0.00 C ATOM 285 O GLU A 19 5.728 7.197 -5.808 1.00 0.00 O ATOM 286 CB GLU A 19 4.346 10.151 -5.055 1.00 0.00 C ATOM 287 CG GLU A 19 3.991 11.556 -5.563 1.00 0.00 C ATOM 288 CD GLU A 19 5.224 12.291 -6.081 1.00 0.00 C ATOM 289 OE1 GLU A 19 5.632 12.070 -7.245 1.00 0.00 O ATOM 290 OE2 GLU A 19 5.806 13.104 -5.326 1.00 0.00 O ATOM 0 H GLU A 19 2.125 9.446 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 19 4.758 9.267 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.728 9.930 -4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.382 10.156 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.250 11.480 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.535 12.131 -4.757 1.00 0.00 H new ATOM 297 N ALA A 20 3.846 7.094 -4.597 1.00 0.00 N ATOM 298 CA ALA A 20 4.196 5.854 -3.925 1.00 0.00 C ATOM 299 C ALA A 20 4.297 4.683 -4.898 1.00 0.00 C ATOM 300 O ALA A 20 5.144 3.817 -4.714 1.00 0.00 O ATOM 301 CB ALA A 20 3.195 5.587 -2.807 1.00 0.00 C ATOM 0 H ALA A 20 2.931 7.461 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 20 5.189 5.961 -3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.455 4.657 -2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.220 6.409 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.193 5.503 -3.228 1.00 0.00 H new ATOM 307 N ILE A 21 3.511 4.687 -5.971 1.00 0.00 N ATOM 308 CA ILE A 21 3.566 3.704 -7.046 1.00 0.00 C ATOM 309 C ILE A 21 4.939 3.675 -7.711 1.00 0.00 C ATOM 310 O ILE A 21 5.387 2.612 -8.140 1.00 0.00 O ATOM 311 CB ILE A 21 2.424 4.048 -8.043 1.00 0.00 C ATOM 312 CG1 ILE A 21 1.135 3.364 -7.572 1.00 0.00 C ATOM 313 CG2 ILE A 21 2.690 3.757 -9.527 1.00 0.00 C ATOM 314 CD1 ILE A 21 -0.153 3.911 -8.198 1.00 0.00 C ATOM 0 H ILE A 21 2.795 5.398 -6.120 1.00 0.00 H new ATOM 0 HA ILE A 21 3.420 2.697 -6.656 1.00 0.00 H new ATOM 0 HB ILE A 21 2.339 5.134 -8.020 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.205 2.299 -7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.065 3.461 -6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.818 4.041 -10.116 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.555 4.330 -9.861 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.886 2.693 -9.660 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.010 3.365 -7.803 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.254 4.969 -7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.112 3.789 -9.280 1.00 0.00 H new ATOM 326 N GLU A 22 5.623 4.816 -7.808 1.00 0.00 N ATOM 327 CA GLU A 22 6.960 4.845 -8.375 1.00 0.00 C ATOM 328 C GLU A 22 7.958 4.163 -7.428 1.00 0.00 C ATOM 329 O GLU A 22 8.980 3.644 -7.882 1.00 0.00 O ATOM 330 CB GLU A 22 7.319 6.301 -8.694 1.00 0.00 C ATOM 331 CG GLU A 22 8.710 6.447 -9.321 1.00 0.00 C ATOM 332 CD GLU A 22 8.922 7.830 -9.938 1.00 0.00 C ATOM 333 OE1 GLU A 22 8.041 8.322 -10.681 1.00 0.00 O ATOM 334 OE2 GLU A 22 9.996 8.427 -9.685 1.00 0.00 O ATOM 0 H GLU A 22 5.271 5.723 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 22 7.002 4.279 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.574 6.713 -9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.275 6.890 -7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.470 6.270 -8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.843 5.684 -10.088 1.00 0.00 H new ATOM 341 N ARG A 23 7.664 4.096 -6.125 1.00 0.00 N ATOM 342 CA ARG A 23 8.563 3.547 -5.116 1.00 0.00 C ATOM 343 C ARG A 23 8.224 2.098 -4.765 1.00 0.00 C ATOM 344 O ARG A 23 9.143 1.337 -4.452 1.00 0.00 O ATOM 345 CB ARG A 23 8.538 4.471 -3.886 1.00 0.00 C ATOM 346 CG ARG A 23 9.779 4.276 -3.003 1.00 0.00 C ATOM 347 CD ARG A 23 10.058 5.535 -2.170 1.00 0.00 C ATOM 348 NE ARG A 23 11.388 5.520 -1.537 1.00 0.00 N ATOM 349 CZ ARG A 23 12.570 5.621 -2.163 1.00 0.00 C ATOM 350 NH1 ARG A 23 12.634 5.792 -3.481 1.00 0.00 N ATOM 351 NH2 ARG A 23 13.690 5.566 -1.452 1.00 0.00 N ATOM 0 H ARG A 23 6.780 4.428 -5.740 1.00 0.00 H new ATOM 0 HA ARG A 23 9.576 3.512 -5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.483 5.510 -4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.640 4.273 -3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.630 3.422 -2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.643 4.049 -3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.976 6.414 -2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.295 5.630 -1.398 1.00 0.00 H new ATOM 0 HE ARG A 23 11.413 5.423 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.776 5.848 -4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.541 5.867 -3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.646 5.448 -0.440 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.594 5.642 -1.918 1.00 0.00 H new ATOM 365 N ASP A 24 6.956 1.695 -4.854 1.00 0.00 N ATOM 366 CA ASP A 24 6.477 0.363 -4.502 1.00 0.00 C ATOM 367 C ASP A 24 6.060 -0.390 -5.770 1.00 0.00 C ATOM 368 O ASP A 24 5.084 0.015 -6.416 1.00 0.00 O ATOM 369 CB ASP A 24 5.283 0.437 -3.539 1.00 0.00 C ATOM 370 CG ASP A 24 5.002 -0.925 -2.879 1.00 0.00 C ATOM 371 OD1 ASP A 24 5.282 -1.973 -3.508 1.00 0.00 O ATOM 372 OD2 ASP A 24 4.472 -0.976 -1.749 1.00 0.00 O ATOM 0 H ASP A 24 6.212 2.309 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 24 7.289 -0.167 -4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.482 1.181 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.398 0.769 -4.081 1.00 0.00 H new ATOM 377 N PRO A 25 6.730 -1.494 -6.147 1.00 0.00 N ATOM 378 CA PRO A 25 6.320 -2.286 -7.295 1.00 0.00 C ATOM 379 C PRO A 25 4.911 -2.840 -7.116 1.00 0.00 C ATOM 380 O PRO A 25 4.132 -2.855 -8.069 1.00 0.00 O ATOM 381 CB PRO A 25 7.355 -3.411 -7.414 1.00 0.00 C ATOM 382 CG PRO A 25 7.925 -3.551 -6.005 1.00 0.00 C ATOM 383 CD PRO A 25 7.857 -2.122 -5.472 1.00 0.00 C ATOM 0 HA PRO A 25 6.284 -1.682 -8.202 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.895 -4.340 -7.751 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.133 -3.161 -8.135 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.337 -4.238 -5.397 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.947 -3.930 -6.017 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.717 -2.115 -4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.783 -1.585 -5.677 1.00 0.00 H new ATOM 391 N TRP A 26 4.565 -3.285 -5.907 1.00 0.00 N ATOM 392 CA TRP A 26 3.266 -3.861 -5.638 1.00 0.00 C ATOM 393 C TRP A 26 2.184 -2.802 -5.782 1.00 0.00 C ATOM 394 O TRP A 26 1.142 -3.105 -6.351 1.00 0.00 O ATOM 395 CB TRP A 26 3.252 -4.484 -4.245 1.00 0.00 C ATOM 396 CG TRP A 26 1.956 -5.103 -3.836 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.289 -4.797 -2.705 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.177 -6.153 -4.489 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.144 -5.554 -2.622 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.042 -6.439 -3.675 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.342 -6.932 -5.654 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.862 -7.464 -3.990 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.495 -8.025 -5.928 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.606 -8.288 -5.098 1.00 0.00 C ATOM 0 H TRP A 26 5.182 -3.252 -5.095 1.00 0.00 H new ATOM 0 HA TRP A 26 3.062 -4.649 -6.363 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.030 -5.246 -4.198 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.514 -3.715 -3.518 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.606 -4.067 -1.974 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.545 -5.471 -1.874 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.132 -6.686 -6.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.745 -7.618 -3.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.694 -8.661 -6.778 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.256 -9.124 -5.311 1.00 0.00 H new ATOM 415 N ALA A 27 2.412 -1.560 -5.339 1.00 0.00 N ATOM 416 CA ALA A 27 1.414 -0.514 -5.518 1.00 0.00 C ATOM 417 C ALA A 27 1.088 -0.334 -7.003 1.00 0.00 C ATOM 418 O ALA A 27 -0.092 -0.278 -7.360 1.00 0.00 O ATOM 419 CB ALA A 27 1.892 0.808 -4.925 1.00 0.00 C ATOM 0 H ALA A 27 3.264 -1.264 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 27 0.510 -0.820 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.127 1.571 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.078 0.682 -3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.813 1.117 -5.420 1.00 0.00 H new ATOM 425 N ALA A 28 2.112 -0.254 -7.862 1.00 0.00 N ATOM 426 CA ALA A 28 1.937 -0.094 -9.304 1.00 0.00 C ATOM 427 C ALA A 28 1.131 -1.261 -9.867 1.00 0.00 C ATOM 428 O ALA A 28 0.175 -1.074 -10.623 1.00 0.00 O ATOM 429 CB ALA A 28 3.319 -0.028 -9.967 1.00 0.00 C ATOM 0 H ALA A 28 3.089 -0.299 -7.571 1.00 0.00 H new ATOM 0 HA ALA A 28 1.392 0.827 -9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.201 0.091 -11.044 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.874 0.820 -9.567 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.865 -0.949 -9.762 1.00 0.00 H new ATOM 435 N GLN A 29 1.503 -2.474 -9.461 1.00 0.00 N ATOM 436 CA GLN A 29 0.849 -3.696 -9.876 1.00 0.00 C ATOM 437 C GLN A 29 -0.617 -3.679 -9.453 1.00 0.00 C ATOM 438 O GLN A 29 -1.478 -3.929 -10.286 1.00 0.00 O ATOM 439 CB GLN A 29 1.614 -4.896 -9.307 1.00 0.00 C ATOM 440 CG GLN A 29 2.948 -5.069 -10.048 1.00 0.00 C ATOM 441 CD GLN A 29 3.793 -6.197 -9.468 1.00 0.00 C ATOM 442 OE1 GLN A 29 3.972 -6.330 -8.259 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.301 -7.063 -10.321 1.00 0.00 N ATOM 0 H GLN A 29 2.283 -2.629 -8.822 1.00 0.00 H new ATOM 0 HA GLN A 29 0.860 -3.781 -10.963 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.796 -4.750 -8.242 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.014 -5.800 -9.406 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.752 -5.270 -11.101 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.510 -4.136 -10.001 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.146 -6.943 -11.322 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.849 -7.853 -9.980 1.00 0.00 H new ATOM 452 N VAL A 30 -0.944 -3.342 -8.207 1.00 0.00 N ATOM 453 CA VAL A 30 -2.328 -3.361 -7.732 1.00 0.00 C ATOM 454 C VAL A 30 -3.177 -2.371 -8.512 1.00 0.00 C ATOM 455 O VAL A 30 -4.313 -2.691 -8.862 1.00 0.00 O ATOM 456 CB VAL A 30 -2.374 -3.051 -6.218 1.00 0.00 C ATOM 457 CG1 VAL A 30 -3.790 -2.844 -5.652 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.739 -4.191 -5.427 1.00 0.00 C ATOM 0 H VAL A 30 -0.265 -3.051 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.740 -4.357 -7.895 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.827 -2.114 -6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.728 -2.632 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.267 -2.006 -6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.380 -3.747 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.778 -3.961 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.285 -5.115 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.700 -4.313 -5.734 1.00 0.00 H new ATOM 468 N SER A 31 -2.637 -1.197 -8.829 1.00 0.00 N ATOM 469 CA SER A 31 -3.337 -0.246 -9.667 1.00 0.00 C ATOM 470 C SER A 31 -3.543 -0.809 -11.077 1.00 0.00 C ATOM 471 O SER A 31 -4.599 -0.576 -11.666 1.00 0.00 O ATOM 472 CB SER A 31 -2.559 1.070 -9.649 1.00 0.00 C ATOM 473 OG SER A 31 -2.988 1.857 -8.545 1.00 0.00 O ATOM 0 H SER A 31 -1.717 -0.888 -8.515 1.00 0.00 H new ATOM 0 HA SER A 31 -4.339 -0.055 -9.282 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.490 0.872 -9.575 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.719 1.613 -10.581 1.00 0.00 H new ATOM 0 HG SER A 31 -2.893 2.807 -8.764 1.00 0.00 H new ATOM 479 N GLN A 32 -2.614 -1.615 -11.597 1.00 0.00 N ATOM 480 CA GLN A 32 -2.760 -2.225 -12.909 1.00 0.00 C ATOM 481 C GLN A 32 -3.859 -3.295 -12.854 1.00 0.00 C ATOM 482 O GLN A 32 -4.636 -3.417 -13.797 1.00 0.00 O ATOM 483 CB GLN A 32 -1.397 -2.772 -13.361 1.00 0.00 C ATOM 484 CG GLN A 32 -1.440 -3.414 -14.753 1.00 0.00 C ATOM 485 CD GLN A 32 -0.079 -3.923 -15.242 1.00 0.00 C ATOM 486 OE1 GLN A 32 1.033 -3.341 -14.821 1.00 0.00 O flip ATOM 487 NE2 GLN A 32 0.000 -4.856 -16.042 1.00 0.00 N flip ATOM 0 H GLN A 32 -1.746 -1.858 -11.119 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.074 -1.493 -13.653 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.669 -1.961 -13.364 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.050 -3.510 -12.637 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.144 -4.246 -14.738 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.823 -2.685 -15.467 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.848 -5.315 -16.376 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.913 -5.170 -16.371 1.00 0.00 H new ATOM 496 N LEU A 33 -3.957 -4.036 -11.749 1.00 0.00 N ATOM 497 CA LEU A 33 -4.996 -5.040 -11.528 1.00 0.00 C ATOM 498 C LEU A 33 -6.363 -4.406 -11.301 1.00 0.00 C ATOM 499 O LEU A 33 -7.382 -5.001 -11.647 1.00 0.00 O ATOM 500 CB LEU A 33 -4.647 -5.888 -10.294 1.00 0.00 C ATOM 501 CG LEU A 33 -3.343 -6.683 -10.401 1.00 0.00 C ATOM 502 CD1 LEU A 33 -3.029 -7.437 -9.106 1.00 0.00 C ATOM 503 CD2 LEU A 33 -3.431 -7.614 -11.603 1.00 0.00 C ATOM 0 H LEU A 33 -3.304 -3.953 -10.970 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.042 -5.658 -12.425 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.584 -5.231 -9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.465 -6.584 -10.108 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.512 -5.994 -10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.096 -7.988 -9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.930 -6.726 -8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.837 -8.134 -8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.507 -8.186 -11.689 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.270 -8.298 -11.473 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.579 -7.026 -12.509 1.00 0.00 H new ATOM 515 N SER A 34 -6.362 -3.219 -10.704 1.00 0.00 N ATOM 516 CA SER A 34 -7.528 -2.461 -10.260 1.00 0.00 C ATOM 517 C SER A 34 -8.497 -3.366 -9.490 1.00 0.00 C ATOM 518 O SER A 34 -9.577 -3.725 -9.967 1.00 0.00 O ATOM 519 CB SER A 34 -8.176 -1.745 -11.448 1.00 0.00 C ATOM 520 OG SER A 34 -7.347 -0.698 -11.922 1.00 0.00 O ATOM 0 H SER A 34 -5.490 -2.728 -10.504 1.00 0.00 H new ATOM 0 HA SER A 34 -7.218 -1.685 -9.561 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.361 -2.459 -12.251 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.144 -1.341 -11.150 1.00 0.00 H new ATOM 0 HG SER A 34 -6.413 -0.896 -11.702 1.00 0.00 H new ATOM 526 N LEU A 35 -8.094 -3.761 -8.281 1.00 0.00 N ATOM 527 CA LEU A 35 -8.927 -4.556 -7.377 1.00 0.00 C ATOM 528 C LEU A 35 -10.176 -3.743 -6.986 1.00 0.00 C ATOM 529 O LEU A 35 -10.124 -2.515 -7.043 1.00 0.00 O ATOM 530 CB LEU A 35 -8.101 -4.965 -6.145 1.00 0.00 C ATOM 531 CG LEU A 35 -7.329 -6.281 -6.329 1.00 0.00 C ATOM 532 CD1 LEU A 35 -6.352 -6.258 -7.500 1.00 0.00 C ATOM 533 CD2 LEU A 35 -6.531 -6.600 -5.072 1.00 0.00 C ATOM 0 H LEU A 35 -7.175 -3.537 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.261 -5.468 -7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.394 -4.169 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.767 -5.061 -5.288 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.086 -7.038 -6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.843 -7.220 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.897 -6.069 -8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.616 -5.469 -7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.988 -7.534 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.823 -5.795 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.210 -6.700 -4.225 1.00 0.00 H new ATOM 545 N PRO A 36 -11.289 -4.383 -6.576 1.00 0.00 N ATOM 546 CA PRO A 36 -12.558 -3.703 -6.310 1.00 0.00 C ATOM 547 C PRO A 36 -12.469 -2.730 -5.121 1.00 0.00 C ATOM 548 O PRO A 36 -12.236 -1.539 -5.339 1.00 0.00 O ATOM 549 CB PRO A 36 -13.603 -4.819 -6.184 1.00 0.00 C ATOM 550 CG PRO A 36 -12.788 -6.039 -5.756 1.00 0.00 C ATOM 551 CD PRO A 36 -11.463 -5.827 -6.486 1.00 0.00 C ATOM 0 HA PRO A 36 -12.850 -3.032 -7.117 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.367 -4.570 -5.447 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.117 -4.994 -7.129 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.654 -6.078 -4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.269 -6.972 -6.051 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.638 -6.288 -5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.485 -6.281 -7.477 1.00 0.00 H new ATOM 559 N LYS A 37 -12.672 -3.179 -3.874 1.00 0.00 N ATOM 560 CA LYS A 37 -12.471 -2.338 -2.687 1.00 0.00 C ATOM 561 C LYS A 37 -12.043 -3.168 -1.492 1.00 0.00 C ATOM 562 O LYS A 37 -10.967 -2.940 -0.964 1.00 0.00 O ATOM 563 CB LYS A 37 -13.712 -1.496 -2.356 1.00 0.00 C ATOM 564 CG LYS A 37 -13.358 -0.442 -1.284 1.00 0.00 C ATOM 565 CD LYS A 37 -14.315 0.754 -1.251 1.00 0.00 C ATOM 566 CE LYS A 37 -15.750 0.324 -0.933 1.00 0.00 C ATOM 567 NZ LYS A 37 -16.709 1.440 -1.059 1.00 0.00 N ATOM 0 H LYS A 37 -12.978 -4.129 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.665 -1.643 -2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.079 -1.003 -3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.514 -2.140 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.356 -0.920 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.346 -0.080 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.976 1.471 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.293 1.264 -2.214 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.043 -0.482 -1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.791 -0.075 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.667 1.102 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.446 2.200 -0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.690 1.806 -2.032 1.00 0.00 H new ATOM 581 N LEU A 38 -12.843 -4.152 -1.091 1.00 0.00 N ATOM 582 CA LEU A 38 -12.512 -5.051 0.017 1.00 0.00 C ATOM 583 C LEU A 38 -11.220 -5.794 -0.302 1.00 0.00 C ATOM 584 O LEU A 38 -10.267 -5.760 0.473 1.00 0.00 O ATOM 585 CB LEU A 38 -13.700 -5.995 0.278 1.00 0.00 C ATOM 586 CG LEU A 38 -13.578 -7.002 1.441 1.00 0.00 C ATOM 587 CD1 LEU A 38 -12.710 -8.222 1.117 1.00 0.00 C ATOM 588 CD2 LEU A 38 -13.105 -6.354 2.744 1.00 0.00 C ATOM 0 H LEU A 38 -13.744 -4.351 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.339 -4.490 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.582 -5.381 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.886 -6.560 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.597 -7.360 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.673 -8.883 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.138 -8.758 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.701 -7.895 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.039 -7.112 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.124 -5.904 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.815 -5.584 3.046 1.00 0.00 H new ATOM 600 N VAL A 39 -11.166 -6.436 -1.470 1.00 0.00 N ATOM 601 CA VAL A 39 -9.984 -7.178 -1.893 1.00 0.00 C ATOM 602 C VAL A 39 -8.821 -6.199 -2.106 1.00 0.00 C ATOM 603 O VAL A 39 -7.677 -6.523 -1.792 1.00 0.00 O ATOM 604 CB VAL A 39 -10.289 -8.022 -3.152 1.00 0.00 C ATOM 605 CG1 VAL A 39 -9.205 -9.081 -3.391 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.650 -8.738 -3.054 1.00 0.00 C ATOM 0 H VAL A 39 -11.934 -6.455 -2.141 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.690 -7.883 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.313 -7.319 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.450 -9.657 -4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.241 -8.591 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.153 -9.749 -2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.822 -9.319 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.649 -9.404 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.443 -7.999 -2.941 1.00 0.00 H new ATOM 616 N GLU A 40 -9.103 -4.981 -2.588 1.00 0.00 N ATOM 617 CA GLU A 40 -8.077 -3.958 -2.754 1.00 0.00 C ATOM 618 C GLU A 40 -7.484 -3.628 -1.383 1.00 0.00 C ATOM 619 O GLU A 40 -6.269 -3.569 -1.247 1.00 0.00 O ATOM 620 CB GLU A 40 -8.646 -2.714 -3.461 1.00 0.00 C ATOM 621 CG GLU A 40 -7.564 -1.650 -3.668 1.00 0.00 C ATOM 622 CD GLU A 40 -8.054 -0.475 -4.514 1.00 0.00 C ATOM 623 OE1 GLU A 40 -8.848 0.347 -4.004 1.00 0.00 O ATOM 624 OE2 GLU A 40 -7.588 -0.325 -5.665 1.00 0.00 O ATOM 0 H GLU A 40 -10.038 -4.685 -2.869 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.279 -4.333 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.066 -3.001 -4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.461 -2.297 -2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.231 -1.281 -2.698 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.699 -2.105 -4.150 1.00 0.00 H new ATOM 631 N GLN A 41 -8.313 -3.480 -0.349 1.00 0.00 N ATOM 632 CA GLN A 41 -7.884 -3.178 1.004 1.00 0.00 C ATOM 633 C GLN A 41 -6.924 -4.247 1.525 1.00 0.00 C ATOM 634 O GLN A 41 -5.975 -3.896 2.220 1.00 0.00 O ATOM 635 CB GLN A 41 -9.111 -3.029 1.916 1.00 0.00 C ATOM 636 CG GLN A 41 -8.796 -2.222 3.178 1.00 0.00 C ATOM 637 CD GLN A 41 -10.062 -1.942 3.974 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.230 -2.419 5.089 1.00 0.00 O ATOM 639 NE2 GLN A 41 -10.986 -1.163 3.437 1.00 0.00 N ATOM 0 H GLN A 41 -9.325 -3.570 -0.438 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.340 -2.233 1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.914 -2.540 1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.474 -4.017 2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.086 -2.770 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.319 -1.281 2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.842 -0.767 2.508 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.842 -0.958 3.952 1.00 0.00 H new ATOM 648 N VAL A 42 -7.130 -5.519 1.179 1.00 0.00 N ATOM 649 CA VAL A 42 -6.220 -6.610 1.515 1.00 0.00 C ATOM 650 C VAL A 42 -4.880 -6.385 0.831 1.00 0.00 C ATOM 651 O VAL A 42 -3.859 -6.323 1.513 1.00 0.00 O ATOM 652 CB VAL A 42 -6.866 -7.962 1.151 1.00 0.00 C ATOM 653 CG1 VAL A 42 -5.928 -9.176 1.215 1.00 0.00 C ATOM 654 CG2 VAL A 42 -8.016 -8.178 2.126 1.00 0.00 C ATOM 0 H VAL A 42 -7.947 -5.822 0.649 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.031 -6.632 2.588 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.178 -7.899 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.479 -10.076 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.100 -9.033 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.539 -9.282 2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.506 -9.127 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.630 -8.196 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.736 -7.366 2.025 1.00 0.00 H new ATOM 664 N ALA A 43 -4.872 -6.234 -0.495 1.00 0.00 N ATOM 665 CA ALA A 43 -3.642 -5.989 -1.229 1.00 0.00 C ATOM 666 C ALA A 43 -2.922 -4.744 -0.705 1.00 0.00 C ATOM 667 O ALA A 43 -1.696 -4.722 -0.663 1.00 0.00 O ATOM 668 CB ALA A 43 -3.952 -5.853 -2.719 1.00 0.00 C ATOM 0 H ALA A 43 -5.708 -6.278 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.973 -6.837 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.028 -5.669 -3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.412 -6.773 -3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.637 -5.020 -2.873 1.00 0.00 H new ATOM 674 N LEU A 44 -3.669 -3.715 -0.303 1.00 0.00 N ATOM 675 CA LEU A 44 -3.133 -2.452 0.166 1.00 0.00 C ATOM 676 C LEU A 44 -2.593 -2.558 1.584 1.00 0.00 C ATOM 677 O LEU A 44 -1.615 -1.881 1.891 1.00 0.00 O ATOM 678 CB LEU A 44 -4.185 -1.331 0.097 1.00 0.00 C ATOM 679 CG LEU A 44 -4.509 -0.826 -1.324 1.00 0.00 C ATOM 680 CD1 LEU A 44 -5.539 0.307 -1.228 1.00 0.00 C ATOM 681 CD2 LEU A 44 -3.267 -0.307 -2.048 1.00 0.00 C ATOM 0 H LEU A 44 -4.689 -3.745 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.308 -2.201 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.106 -1.689 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.836 -0.489 0.695 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.902 -1.667 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.774 0.671 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.447 -0.066 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.128 1.123 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.544 0.038 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.836 0.521 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.533 -1.109 -2.133 1.00 0.00 H new ATOM 693 N ASN A 45 -3.206 -3.372 2.452 1.00 0.00 N ATOM 694 CA ASN A 45 -2.772 -3.502 3.844 1.00 0.00 C ATOM 695 C ASN A 45 -1.754 -4.630 3.983 1.00 0.00 C ATOM 696 O ASN A 45 -1.542 -5.134 5.091 1.00 0.00 O ATOM 697 CB ASN A 45 -3.968 -3.649 4.803 1.00 0.00 C ATOM 698 CG ASN A 45 -4.628 -2.298 5.037 1.00 0.00 C ATOM 699 OD1 ASN A 45 -4.402 -1.654 6.056 1.00 0.00 O ATOM 700 ND2 ASN A 45 -5.421 -1.825 4.092 1.00 0.00 N ATOM 0 H ASN A 45 -4.009 -3.953 2.210 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.270 -2.580 4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.693 -4.348 4.386 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.632 -4.066 5.752 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.857 -0.910 4.203 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.597 -2.375 3.251 1.00 0.00 H new ATOM 707 N ALA A 46 -1.120 -5.044 2.880 1.00 0.00 N ATOM 708 CA ALA A 46 -0.076 -6.041 2.870 1.00 0.00 C ATOM 709 C ALA A 46 1.092 -5.609 2.000 1.00 0.00 C ATOM 710 O ALA A 46 0.925 -4.849 1.052 1.00 0.00 O ATOM 711 CB ALA A 46 -0.650 -7.358 2.336 1.00 0.00 C ATOM 0 H ALA A 46 -1.334 -4.677 1.953 1.00 0.00 H new ATOM 0 HA ALA A 46 0.290 -6.170 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.132 -8.118 2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.466 -7.687 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.024 -7.208 1.323 1.00 0.00 H new ATOM 717 N TRP A 47 2.269 -6.149 2.296 1.00 0.00 N ATOM 718 CA TRP A 47 3.473 -5.970 1.500 1.00 0.00 C ATOM 719 C TRP A 47 3.663 -7.309 0.802 1.00 0.00 C ATOM 720 O TRP A 47 3.470 -8.379 1.396 1.00 0.00 O ATOM 721 CB TRP A 47 4.677 -5.515 2.330 1.00 0.00 C ATOM 722 CG TRP A 47 5.118 -6.353 3.489 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.694 -6.215 4.765 1.00 0.00 C ATOM 724 CD2 TRP A 47 6.134 -7.400 3.511 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.420 -7.060 5.581 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.356 -7.779 4.868 1.00 0.00 C ATOM 727 CE3 TRP A 47 6.907 -8.052 2.528 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.330 -8.720 5.234 1.00 0.00 C ATOM 729 CZ3 TRP A 47 7.866 -9.016 2.886 1.00 0.00 C ATOM 730 CH2 TRP A 47 8.089 -9.340 4.233 1.00 0.00 C ATOM 0 H TRP A 47 2.414 -6.737 3.117 1.00 0.00 H new ATOM 0 HA TRP A 47 3.378 -5.160 0.777 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.526 -5.418 1.653 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.456 -4.518 2.710 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.911 -5.549 5.095 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.281 -7.142 6.588 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.760 -7.808 1.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.493 -8.963 6.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.437 -9.513 2.116 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.844 -10.066 4.497 1.00 0.00 H new ATOM 741 N LYS A 48 3.967 -7.259 -0.490 1.00 0.00 N ATOM 742 CA LYS A 48 4.035 -8.443 -1.324 1.00 0.00 C ATOM 743 C LYS A 48 5.417 -9.075 -1.353 1.00 0.00 C ATOM 744 O LYS A 48 6.315 -8.550 -2.016 1.00 0.00 O ATOM 745 CB LYS A 48 3.544 -8.046 -2.728 1.00 0.00 C ATOM 746 CG LYS A 48 3.472 -9.228 -3.695 1.00 0.00 C ATOM 747 CD LYS A 48 4.585 -9.292 -4.762 1.00 0.00 C ATOM 748 CE LYS A 48 4.403 -8.203 -5.816 1.00 0.00 C ATOM 749 NZ LYS A 48 5.325 -8.335 -6.959 1.00 0.00 N ATOM 0 H LYS A 48 4.173 -6.392 -0.986 1.00 0.00 H new ATOM 0 HA LYS A 48 3.395 -9.219 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.557 -7.591 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.211 -7.288 -3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.498 -10.150 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.508 -9.199 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.558 -9.180 -4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.577 -10.271 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.377 -8.229 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.550 -7.229 -5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.062 -7.652 -7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.298 -8.147 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.266 -9.300 -7.343 1.00 0.00 H new ATOM 763 N GLU A 49 5.588 -10.196 -0.656 1.00 0.00 N ATOM 764 CA GLU A 49 6.821 -10.953 -0.736 1.00 0.00 C ATOM 765 C GLU A 49 6.656 -11.849 -1.955 1.00 0.00 C ATOM 766 O GLU A 49 5.852 -12.783 -1.933 1.00 0.00 O ATOM 767 CB GLU A 49 7.070 -11.830 0.499 1.00 0.00 C ATOM 768 CG GLU A 49 8.397 -12.595 0.317 1.00 0.00 C ATOM 769 CD GLU A 49 8.652 -13.662 1.376 1.00 0.00 C ATOM 770 OE1 GLU A 49 7.900 -13.762 2.369 1.00 0.00 O ATOM 771 OE2 GLU A 49 9.654 -14.400 1.245 1.00 0.00 O ATOM 0 H GLU A 49 4.886 -10.594 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 49 7.671 -10.273 -0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.112 -11.212 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.247 -12.532 0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.400 -13.066 -0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.220 -11.881 0.331 1.00 0.00 H new ATOM 778 N GLU A 50 7.325 -11.522 -3.051 1.00 0.00 N ATOM 779 CA GLU A 50 7.343 -12.402 -4.203 1.00 0.00 C ATOM 780 C GLU A 50 8.449 -13.393 -3.843 1.00 0.00 C ATOM 781 O GLU A 50 9.555 -12.986 -3.477 1.00 0.00 O ATOM 782 CB GLU A 50 7.576 -11.599 -5.476 1.00 0.00 C ATOM 783 CG GLU A 50 7.769 -12.469 -6.722 1.00 0.00 C ATOM 784 CD GLU A 50 7.320 -11.714 -7.971 1.00 0.00 C ATOM 785 OE1 GLU A 50 7.813 -10.593 -8.241 1.00 0.00 O ATOM 786 OE2 GLU A 50 6.408 -12.208 -8.673 1.00 0.00 O ATOM 0 H GLU A 50 7.858 -10.660 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 50 6.410 -12.926 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.728 -10.933 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.456 -10.969 -5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.817 -12.752 -6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.197 -13.392 -6.622 1.00 0.00 H new ATOM 793 N SER A 51 8.116 -14.678 -3.841 1.00 0.00 N ATOM 794 CA SER A 51 8.951 -15.773 -3.408 1.00 0.00 C ATOM 795 C SER A 51 9.316 -16.599 -4.637 1.00 0.00 C ATOM 796 O SER A 51 8.892 -16.287 -5.755 1.00 0.00 O ATOM 797 CB SER A 51 8.182 -16.517 -2.306 1.00 0.00 C ATOM 798 OG SER A 51 8.957 -17.495 -1.643 1.00 0.00 O ATOM 0 H SER A 51 7.201 -14.994 -4.162 1.00 0.00 H new ATOM 0 HA SER A 51 9.901 -15.470 -2.968 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.820 -15.794 -1.575 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.305 -16.994 -2.744 1.00 0.00 H new ATOM 0 HG SER A 51 8.414 -17.931 -0.954 1.00 0.00 H new ATOM 804 N ASP A 52 10.122 -17.639 -4.435 1.00 0.00 N ATOM 805 CA ASP A 52 10.702 -18.478 -5.481 1.00 0.00 C ATOM 806 C ASP A 52 9.710 -18.865 -6.577 1.00 0.00 C ATOM 807 O ASP A 52 9.977 -18.692 -7.768 1.00 0.00 O ATOM 808 CB ASP A 52 11.301 -19.731 -4.843 1.00 0.00 C ATOM 809 CG ASP A 52 12.117 -20.483 -5.884 1.00 0.00 C ATOM 810 OD1 ASP A 52 13.143 -19.915 -6.325 1.00 0.00 O ATOM 811 OD2 ASP A 52 11.769 -21.631 -6.233 1.00 0.00 O ATOM 0 H ASP A 52 10.400 -17.932 -3.499 1.00 0.00 H new ATOM 0 HA ASP A 52 11.475 -17.888 -5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.932 -19.457 -3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.508 -20.370 -4.454 1.00 0.00 H new ATOM 816 N ASN A 53 8.533 -19.336 -6.167 1.00 0.00 N ATOM 817 CA ASN A 53 7.431 -19.690 -7.054 1.00 0.00 C ATOM 818 C ASN A 53 6.093 -19.355 -6.384 1.00 0.00 C ATOM 819 O ASN A 53 5.109 -20.079 -6.533 1.00 0.00 O ATOM 820 CB ASN A 53 7.565 -21.173 -7.429 1.00 0.00 C ATOM 821 CG ASN A 53 6.521 -21.645 -8.437 1.00 0.00 C ATOM 822 OD1 ASN A 53 6.102 -20.922 -9.341 1.00 0.00 O ATOM 823 ND2 ASN A 53 6.107 -22.890 -8.313 1.00 0.00 N ATOM 0 H ASN A 53 8.316 -19.485 -5.182 1.00 0.00 H new ATOM 0 HA ASN A 53 7.465 -19.109 -7.976 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.559 -21.347 -7.840 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.484 -21.777 -6.525 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.428 -23.270 -8.973 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.466 -23.474 -7.557 1.00 0.00 H new ATOM 830 N ALA A 54 6.050 -18.299 -5.564 1.00 0.00 N ATOM 831 CA ALA A 54 4.869 -17.973 -4.782 1.00 0.00 C ATOM 832 C ALA A 54 4.828 -16.473 -4.565 1.00 0.00 C ATOM 833 O ALA A 54 5.800 -15.784 -4.867 1.00 0.00 O ATOM 834 CB ALA A 54 4.968 -18.715 -3.440 1.00 0.00 C ATOM 0 H ALA A 54 6.830 -17.656 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 54 3.957 -18.276 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.092 -18.487 -2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.015 -19.789 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.868 -18.396 -2.913 1.00 0.00 H new ATOM 840 N VAL A 55 3.725 -15.960 -4.032 1.00 0.00 N ATOM 841 CA VAL A 55 3.620 -14.561 -3.657 1.00 0.00 C ATOM 842 C VAL A 55 2.842 -14.527 -2.345 1.00 0.00 C ATOM 843 O VAL A 55 1.635 -14.757 -2.332 1.00 0.00 O ATOM 844 CB VAL A 55 3.004 -13.720 -4.795 1.00 0.00 C ATOM 845 CG1 VAL A 55 2.948 -12.264 -4.367 1.00 0.00 C ATOM 846 CG2 VAL A 55 3.826 -13.733 -6.100 1.00 0.00 C ATOM 0 H VAL A 55 2.882 -16.504 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 55 4.595 -14.100 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 55 2.026 -14.163 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.513 -11.666 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.334 -12.171 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.956 -11.908 -4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.327 -13.119 -6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.821 -13.333 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.911 -14.756 -6.466 1.00 0.00 H new ATOM 856 N CYS A 56 3.531 -14.306 -1.226 1.00 0.00 N ATOM 857 CA CYS A 56 2.917 -14.274 0.090 1.00 0.00 C ATOM 858 C CYS A 56 2.693 -12.810 0.445 1.00 0.00 C ATOM 859 O CYS A 56 3.643 -12.038 0.567 1.00 0.00 O ATOM 860 CB CYS A 56 3.784 -15.014 1.112 1.00 0.00 C ATOM 861 SG CYS A 56 3.963 -16.749 0.605 1.00 0.00 S ATOM 0 H CYS A 56 4.538 -14.144 -1.213 1.00 0.00 H new ATOM 0 HA CYS A 56 1.959 -14.793 0.096 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.764 -14.542 1.185 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.329 -14.957 2.101 1.00 0.00 H new ATOM 0 HG CYS A 56 4.701 -17.380 1.470 1.00 0.00 H new ATOM 867 N LEU A 57 1.434 -12.401 0.564 1.00 0.00 N ATOM 868 CA LEU A 57 1.071 -11.052 0.969 1.00 0.00 C ATOM 869 C LEU A 57 1.133 -10.975 2.483 1.00 0.00 C ATOM 870 O LEU A 57 0.290 -11.547 3.170 1.00 0.00 O ATOM 871 CB LEU A 57 -0.308 -10.682 0.396 1.00 0.00 C ATOM 872 CG LEU A 57 -0.109 -10.106 -1.016 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.379 -10.147 -1.857 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.353 -8.650 -0.954 1.00 0.00 C ATOM 0 H LEU A 57 0.632 -13.003 0.380 1.00 0.00 H new ATOM 0 HA LEU A 57 1.770 -10.318 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.952 -11.561 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.802 -9.952 1.037 1.00 0.00 H new ATOM 0 HG LEU A 57 0.648 -10.737 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.177 -9.727 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.712 -11.180 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.159 -9.563 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.486 -8.267 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.397 -8.052 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.299 -8.591 -0.416 1.00 0.00 H new ATOM 886 N HIS A 58 2.163 -10.317 3.011 1.00 0.00 N ATOM 887 CA HIS A 58 2.311 -10.097 4.447 1.00 0.00 C ATOM 888 C HIS A 58 1.404 -8.943 4.838 1.00 0.00 C ATOM 889 O HIS A 58 1.774 -7.784 4.648 1.00 0.00 O ATOM 890 CB HIS A 58 3.758 -9.763 4.810 1.00 0.00 C ATOM 891 CG HIS A 58 4.738 -10.899 4.698 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.572 -11.363 5.702 1.00 0.00 N ATOM 893 CD2 HIS A 58 5.058 -11.557 3.546 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.377 -12.289 5.159 1.00 0.00 C ATOM 895 NE2 HIS A 58 6.075 -12.429 3.859 1.00 0.00 N ATOM 0 H HIS A 58 2.920 -9.921 2.453 1.00 0.00 H new ATOM 0 HA HIS A 58 2.039 -11.006 4.984 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.096 -8.951 4.167 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.779 -9.389 5.834 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.602 -11.420 2.577 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.146 -12.835 5.685 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.525 -13.075 3.210 1.00 0.00 H new ATOM 904 N LEU A 59 0.226 -9.249 5.363 1.00 0.00 N ATOM 905 CA LEU A 59 -0.794 -8.284 5.742 1.00 0.00 C ATOM 906 C LEU A 59 -0.521 -7.839 7.172 1.00 0.00 C ATOM 907 O LEU A 59 0.062 -8.590 7.956 1.00 0.00 O ATOM 908 CB LEU A 59 -2.152 -8.994 5.626 1.00 0.00 C ATOM 909 CG LEU A 59 -3.398 -8.094 5.802 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.152 -7.891 4.486 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.377 -8.786 6.740 1.00 0.00 C ATOM 0 H LEU A 59 -0.055 -10.213 5.543 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.791 -7.401 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.208 -9.473 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.191 -9.787 6.373 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.047 -7.134 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.019 -7.253 4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.493 -7.419 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.482 -8.857 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.260 -8.160 6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.672 -9.745 6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.901 -8.949 7.707 1.00 0.00 H new ATOM 923 N ARG A 60 -0.924 -6.623 7.541 1.00 0.00 N ATOM 924 CA ARG A 60 -0.804 -6.202 8.932 1.00 0.00 C ATOM 925 C ARG A 60 -1.699 -7.094 9.767 1.00 0.00 C ATOM 926 O ARG A 60 -2.900 -7.167 9.500 1.00 0.00 O ATOM 927 CB ARG A 60 -1.169 -4.723 9.130 1.00 0.00 C ATOM 928 CG ARG A 60 -0.179 -3.782 8.426 1.00 0.00 C ATOM 929 CD ARG A 60 1.148 -3.728 9.194 1.00 0.00 C ATOM 930 NE ARG A 60 2.272 -3.329 8.334 1.00 0.00 N ATOM 931 CZ ARG A 60 3.349 -4.067 8.037 1.00 0.00 C ATOM 932 NH1 ARG A 60 3.500 -5.302 8.507 1.00 0.00 N ATOM 933 NH2 ARG A 60 4.276 -3.551 7.239 1.00 0.00 N ATOM 0 H ARG A 60 -1.327 -5.929 6.912 1.00 0.00 H new ATOM 0 HA ARG A 60 0.236 -6.299 9.244 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.173 -4.544 8.746 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.189 -4.495 10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.003 -4.126 7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.606 -2.782 8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.058 -3.024 10.022 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.354 -4.706 9.628 1.00 0.00 H new ATOM 0 HE ARG A 60 2.227 -2.397 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.785 -5.709 9.110 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.331 -5.842 8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.160 -2.609 6.865 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.104 -4.096 7.000 1.00 0.00 H new ATOM 947 N SER A 61 -1.150 -7.736 10.792 1.00 0.00 N ATOM 948 CA SER A 61 -1.935 -8.516 11.739 1.00 0.00 C ATOM 949 C SER A 61 -3.012 -7.639 12.395 1.00 0.00 C ATOM 950 O SER A 61 -4.119 -8.116 12.658 1.00 0.00 O ATOM 951 CB SER A 61 -0.989 -9.133 12.769 1.00 0.00 C ATOM 952 OG SER A 61 -0.043 -8.180 13.206 1.00 0.00 O ATOM 0 H SER A 61 -0.149 -7.730 10.989 1.00 0.00 H new ATOM 0 HA SER A 61 -2.458 -9.321 11.223 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.560 -9.503 13.620 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.476 -9.990 12.333 1.00 0.00 H new ATOM 0 HG SER A 61 0.554 -8.590 13.866 1.00 0.00 H new ATOM 958 N SER A 62 -2.749 -6.332 12.523 1.00 0.00 N ATOM 959 CA SER A 62 -3.672 -5.323 13.025 1.00 0.00 C ATOM 960 C SER A 62 -4.961 -5.289 12.207 1.00 0.00 C ATOM 961 O SER A 62 -6.018 -4.928 12.723 1.00 0.00 O ATOM 962 CB SER A 62 -2.983 -3.952 12.945 1.00 0.00 C ATOM 963 OG SER A 62 -1.661 -4.000 13.456 1.00 0.00 O ATOM 0 H SER A 62 -1.844 -5.938 12.266 1.00 0.00 H new ATOM 0 HA SER A 62 -3.935 -5.568 14.054 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.961 -3.616 11.908 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.564 -3.219 13.505 1.00 0.00 H new ATOM 0 HG SER A 62 -1.252 -3.112 13.388 1.00 0.00 H new ATOM 969 N GLN A 63 -4.872 -5.676 10.934 1.00 0.00 N ATOM 970 CA GLN A 63 -5.941 -5.624 9.955 1.00 0.00 C ATOM 971 C GLN A 63 -6.300 -7.027 9.458 1.00 0.00 C ATOM 972 O GLN A 63 -6.974 -7.148 8.432 1.00 0.00 O ATOM 973 CB GLN A 63 -5.563 -4.667 8.806 1.00 0.00 C ATOM 974 CG GLN A 63 -5.027 -3.287 9.226 1.00 0.00 C ATOM 975 CD GLN A 63 -5.836 -2.597 10.325 1.00 0.00 C ATOM 976 OE1 GLN A 63 -7.051 -2.735 10.421 1.00 0.00 O ATOM 977 NE2 GLN A 63 -5.159 -1.866 11.196 1.00 0.00 N ATOM 0 H GLN A 63 -4.007 -6.052 10.546 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.838 -5.226 10.429 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.810 -5.154 8.187 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.443 -4.518 8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.998 -3.400 9.567 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.003 -2.639 8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.149 -1.763 11.099 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.647 -1.405 11.964 1.00 0.00 H new ATOM 986 N ARG A 64 -5.929 -8.106 10.175 1.00 0.00 N ATOM 987 CA ARG A 64 -6.218 -9.476 9.725 1.00 0.00 C ATOM 988 C ARG A 64 -7.715 -9.716 9.538 1.00 0.00 C ATOM 989 O ARG A 64 -8.085 -10.628 8.813 1.00 0.00 O ATOM 990 CB ARG A 64 -5.546 -10.535 10.626 1.00 0.00 C ATOM 991 CG ARG A 64 -5.671 -11.942 10.005 1.00 0.00 C ATOM 992 CD ARG A 64 -4.760 -13.008 10.613 1.00 0.00 C ATOM 993 NE ARG A 64 -4.881 -14.278 9.866 1.00 0.00 N ATOM 994 CZ ARG A 64 -4.048 -15.325 9.932 1.00 0.00 C ATOM 995 NH1 ARG A 64 -3.058 -15.345 10.812 1.00 0.00 N ATOM 996 NH2 ARG A 64 -4.202 -16.349 9.103 1.00 0.00 N ATOM 0 H ARG A 64 -5.431 -8.053 11.064 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.770 -9.590 8.738 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.494 -10.286 10.765 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.009 -10.526 11.613 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.705 -12.273 10.102 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.458 -11.871 8.938 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.726 -12.665 10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.024 -13.167 11.659 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.679 -14.366 9.237 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.925 -14.558 11.447 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.429 -16.147 10.854 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.955 -16.339 8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.567 -17.146 9.154 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.592 -8.867 10.068 1.00 0.00 N ATOM 1011 CA HIS A 65 -10.025 -8.956 9.822 1.00 0.00 C ATOM 1012 C HIS A 65 -10.368 -8.868 8.327 1.00 0.00 C ATOM 1013 O HIS A 65 -11.369 -9.458 7.917 1.00 0.00 O ATOM 1014 CB HIS A 65 -10.750 -7.906 10.670 1.00 0.00 C ATOM 1015 CG HIS A 65 -10.275 -7.862 12.111 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -9.864 -8.940 12.892 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -10.040 -6.714 12.819 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -9.380 -8.435 14.045 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -9.490 -7.091 14.028 1.00 0.00 N ATOM 0 H HIS A 65 -8.326 -8.097 10.681 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.377 -9.941 10.129 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.608 -6.924 10.218 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.820 -8.113 10.654 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.246 -5.705 12.494 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.968 -9.017 14.856 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.214 -6.460 14.780 1.00 0.00 H new ATOM 1028 N LEU A 66 -9.559 -8.193 7.496 1.00 0.00 N ATOM 1029 CA LEU A 66 -9.773 -8.186 6.046 1.00 0.00 C ATOM 1030 C LEU A 66 -9.205 -9.447 5.389 1.00 0.00 C ATOM 1031 O LEU A 66 -9.568 -9.737 4.255 1.00 0.00 O ATOM 1032 CB LEU A 66 -9.175 -6.946 5.349 1.00 0.00 C ATOM 1033 CG LEU A 66 -9.728 -5.554 5.711 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -11.232 -5.551 6.000 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -8.962 -4.944 6.889 1.00 0.00 C ATOM 0 H LEU A 66 -8.754 -7.648 7.805 1.00 0.00 H new ATOM 0 HA LEU A 66 -10.855 -8.156 5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.104 -6.938 5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.297 -7.080 4.274 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.577 -4.937 4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.553 -4.539 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.772 -5.898 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.443 -6.214 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.374 -3.962 7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.056 -5.593 7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.909 -4.842 6.625 1.00 0.00 H new ATOM 1047 N ASN A 67 -8.316 -10.198 6.052 1.00 0.00 N ATOM 1048 CA ASN A 67 -7.832 -11.478 5.541 1.00 0.00 C ATOM 1049 C ASN A 67 -9.014 -12.432 5.571 1.00 0.00 C ATOM 1050 O ASN A 67 -9.376 -12.932 6.642 1.00 0.00 O ATOM 1051 CB ASN A 67 -6.674 -12.060 6.374 1.00 0.00 C ATOM 1052 CG ASN A 67 -6.013 -13.258 5.700 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -6.472 -13.753 4.677 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -4.899 -13.730 6.237 1.00 0.00 N ATOM 0 H ASN A 67 -7.917 -9.933 6.952 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.437 -11.335 4.535 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.927 -11.285 6.543 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.049 -12.359 7.353 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.414 -14.513 5.799 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.526 -13.311 7.089 1.00 0.00 H new ATOM 1061 N ASN A 68 -9.665 -12.610 4.428 1.00 0.00 N ATOM 1062 CA ASN A 68 -10.786 -13.518 4.286 1.00 0.00 C ATOM 1063 C ASN A 68 -10.558 -14.393 3.056 1.00 0.00 C ATOM 1064 O ASN A 68 -9.926 -13.964 2.085 1.00 0.00 O ATOM 1065 CB ASN A 68 -12.109 -12.736 4.270 1.00 0.00 C ATOM 1066 CG ASN A 68 -12.587 -12.329 2.888 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -12.128 -11.382 2.275 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -13.531 -13.069 2.352 1.00 0.00 N ATOM 0 H ASN A 68 -9.423 -12.120 3.567 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.860 -14.188 5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.881 -13.344 4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.993 -11.839 4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.882 -12.851 1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.913 -13.861 2.868 1.00 0.00 H new ATOM 1075 N ARG A 69 -11.073 -15.625 3.082 1.00 0.00 N ATOM 1076 CA ARG A 69 -10.869 -16.590 1.999 1.00 0.00 C ATOM 1077 C ARG A 69 -11.454 -16.087 0.681 1.00 0.00 C ATOM 1078 O ARG A 69 -10.889 -16.351 -0.375 1.00 0.00 O ATOM 1079 CB ARG A 69 -11.457 -17.962 2.374 1.00 0.00 C ATOM 1080 CG ARG A 69 -10.403 -18.934 2.925 1.00 0.00 C ATOM 1081 CD ARG A 69 -9.713 -18.456 4.205 1.00 0.00 C ATOM 1082 NE ARG A 69 -8.720 -19.447 4.647 1.00 0.00 N ATOM 1083 CZ ARG A 69 -8.278 -19.634 5.893 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -8.615 -18.811 6.880 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -7.488 -20.667 6.130 1.00 0.00 N ATOM 0 H ARG A 69 -11.641 -15.980 3.851 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.794 -16.705 1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.241 -17.824 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.926 -18.403 1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.879 -19.895 3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.646 -19.103 2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.226 -17.497 4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.454 -18.298 4.989 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.328 -20.054 3.927 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.225 -18.015 6.694 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.264 -18.976 7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.231 -21.297 5.370 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.136 -20.834 7.073 1.00 0.00 H new ATOM 1099 N GLY A 70 -12.539 -15.322 0.723 1.00 0.00 N ATOM 1100 CA GLY A 70 -13.112 -14.717 -0.464 1.00 0.00 C ATOM 1101 C GLY A 70 -12.184 -13.687 -1.098 1.00 0.00 C ATOM 1102 O GLY A 70 -12.085 -13.656 -2.329 1.00 0.00 O ATOM 0 H GLY A 70 -13.043 -15.106 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.337 -15.496 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.057 -14.240 -0.205 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.511 -12.839 -0.306 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.538 -11.903 -0.848 1.00 0.00 C ATOM 1108 C ALA A 71 -9.433 -12.714 -1.489 1.00 0.00 C ATOM 1109 O ALA A 71 -9.173 -12.529 -2.666 1.00 0.00 O ATOM 1110 CB ALA A 71 -9.968 -10.950 0.209 1.00 0.00 C ATOM 0 H ALA A 71 -11.628 -12.789 0.706 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.034 -11.264 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.248 -10.277 -0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.778 -10.367 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.472 -11.527 0.989 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.846 -13.647 -0.744 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.798 -14.555 -1.187 1.00 0.00 C ATOM 1118 C GLN A 72 -8.148 -15.218 -2.520 1.00 0.00 C ATOM 1119 O GLN A 72 -7.283 -15.311 -3.388 1.00 0.00 O ATOM 1120 CB GLN A 72 -7.600 -15.568 -0.040 1.00 0.00 C ATOM 1121 CG GLN A 72 -6.903 -16.891 -0.342 1.00 0.00 C ATOM 1122 CD GLN A 72 -5.420 -16.787 -0.650 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -4.606 -16.536 0.236 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -5.038 -17.047 -1.886 1.00 0.00 N ATOM 0 H GLN A 72 -9.103 -13.795 0.232 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.866 -14.026 -1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.035 -15.069 0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.583 -15.799 0.370 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.034 -17.555 0.512 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.402 -17.360 -1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.734 -17.252 -2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.046 -17.043 -2.125 1.00 0.00 H new ATOM 1133 N GLN A 73 -9.392 -15.660 -2.698 1.00 0.00 N ATOM 1134 CA GLN A 73 -9.846 -16.297 -3.923 1.00 0.00 C ATOM 1135 C GLN A 73 -9.764 -15.310 -5.086 1.00 0.00 C ATOM 1136 O GLN A 73 -9.149 -15.598 -6.112 1.00 0.00 O ATOM 1137 CB GLN A 73 -11.280 -16.824 -3.722 1.00 0.00 C ATOM 1138 CG GLN A 73 -11.737 -17.772 -4.841 1.00 0.00 C ATOM 1139 CD GLN A 73 -10.897 -19.046 -4.883 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -10.560 -19.616 -3.848 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -10.518 -19.512 -6.056 1.00 0.00 N ATOM 0 H GLN A 73 -10.117 -15.583 -1.985 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.203 -17.143 -4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.338 -17.345 -2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.967 -15.979 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.785 -18.032 -4.691 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.670 -17.260 -5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.802 -19.033 -6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.941 -20.351 -6.109 1.00 0.00 H new ATOM 1150 N LYS A 74 -10.368 -14.131 -4.929 1.00 0.00 N ATOM 1151 CA LYS A 74 -10.403 -13.150 -6.008 1.00 0.00 C ATOM 1152 C LYS A 74 -9.012 -12.559 -6.258 1.00 0.00 C ATOM 1153 O LYS A 74 -8.695 -12.215 -7.400 1.00 0.00 O ATOM 1154 CB LYS A 74 -11.460 -12.085 -5.665 1.00 0.00 C ATOM 1155 CG LYS A 74 -11.811 -11.069 -6.770 1.00 0.00 C ATOM 1156 CD LYS A 74 -12.626 -11.616 -7.953 1.00 0.00 C ATOM 1157 CE LYS A 74 -11.762 -12.368 -8.972 1.00 0.00 C ATOM 1158 NZ LYS A 74 -12.532 -12.793 -10.156 1.00 0.00 N ATOM 0 H LYS A 74 -10.835 -13.836 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.691 -13.625 -6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.376 -12.598 -5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.113 -11.531 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.369 -10.249 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.883 -10.648 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.401 -12.284 -7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.133 -10.790 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.938 -11.728 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.321 -13.243 -8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.976 -12.610 -11.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.740 -13.810 -10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.423 -12.259 -10.200 1.00 0.00 H new ATOM 1172 N LEU A 75 -8.172 -12.463 -5.224 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.798 -11.995 -5.319 1.00 0.00 C ATOM 1174 C LEU A 75 -5.973 -13.023 -6.094 1.00 0.00 C ATOM 1175 O LEU A 75 -5.076 -12.631 -6.840 1.00 0.00 O ATOM 1176 CB LEU A 75 -6.222 -11.774 -3.903 1.00 0.00 C ATOM 1177 CG LEU A 75 -5.403 -10.487 -3.707 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -5.038 -10.372 -2.221 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -4.139 -10.399 -4.562 1.00 0.00 C ATOM 0 H LEU A 75 -8.442 -12.717 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.762 -11.044 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.048 -11.768 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.591 -12.626 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.029 -9.659 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.456 -9.465 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.949 -10.330 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.449 -11.239 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.626 -9.459 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.479 -11.232 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.410 -10.443 -5.617 1.00 0.00 H new ATOM 1191 N ALA A 76 -6.269 -14.324 -5.943 1.00 0.00 N ATOM 1192 CA ALA A 76 -5.519 -15.389 -6.595 1.00 0.00 C ATOM 1193 C ALA A 76 -5.609 -15.252 -8.107 1.00 0.00 C ATOM 1194 O ALA A 76 -4.578 -15.367 -8.760 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.991 -16.775 -6.138 1.00 0.00 C ATOM 0 H ALA A 76 -7.038 -14.659 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.474 -15.291 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.408 -17.544 -6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.855 -16.869 -5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.046 -16.899 -6.382 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.791 -14.957 -8.657 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.981 -14.713 -10.089 1.00 0.00 C ATOM 1203 C GLU A 77 -6.079 -13.570 -10.551 1.00 0.00 C ATOM 1204 O GLU A 77 -5.367 -13.695 -11.547 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.454 -14.321 -10.349 1.00 0.00 C ATOM 1206 CG GLU A 77 -8.786 -14.178 -11.852 1.00 0.00 C ATOM 1207 CD GLU A 77 -9.360 -12.798 -12.200 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -10.579 -12.578 -12.007 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -8.621 -11.886 -12.640 1.00 0.00 O ATOM 0 H GLU A 77 -7.651 -14.880 -8.114 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.729 -15.620 -10.639 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.108 -15.074 -9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.668 -13.379 -9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.883 -14.350 -12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.503 -14.948 -12.137 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.116 -12.460 -9.812 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.430 -11.232 -10.161 1.00 0.00 C ATOM 1218 C ALA A 78 -3.922 -11.463 -10.174 1.00 0.00 C ATOM 1219 O ALA A 78 -3.254 -11.135 -11.152 1.00 0.00 O ATOM 1220 CB ALA A 78 -5.836 -10.129 -9.179 1.00 0.00 C ATOM 0 H ALA A 78 -6.637 -12.397 -8.937 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.717 -10.912 -11.163 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.322 -9.204 -9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.913 -9.973 -9.232 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.562 -10.425 -8.166 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.375 -12.057 -9.109 1.00 0.00 N ATOM 1227 CA LEU A 79 -1.957 -12.382 -9.041 1.00 0.00 C ATOM 1228 C LEU A 79 -1.571 -13.420 -10.089 1.00 0.00 C ATOM 1229 O LEU A 79 -0.497 -13.317 -10.680 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.583 -12.867 -7.630 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.685 -11.838 -6.933 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.567 -12.158 -5.450 1.00 0.00 C ATOM 1233 CD2 LEU A 79 0.718 -11.806 -7.551 1.00 0.00 C ATOM 0 H LEU A 79 -3.903 -12.322 -8.278 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.396 -11.473 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.487 -13.028 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.068 -13.826 -7.692 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.147 -10.860 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.073 -11.419 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.556 -12.134 -4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.134 -13.150 -5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.327 -11.066 -7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.180 -12.788 -7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.645 -11.541 -8.606 1.00 0.00 H new ATOM 1245 N SER A 80 -2.436 -14.398 -10.342 1.00 0.00 N ATOM 1246 CA SER A 80 -2.199 -15.423 -11.346 1.00 0.00 C ATOM 1247 C SER A 80 -2.147 -14.822 -12.752 1.00 0.00 C ATOM 1248 O SER A 80 -1.407 -15.329 -13.596 1.00 0.00 O ATOM 1249 CB SER A 80 -3.266 -16.508 -11.199 1.00 0.00 C ATOM 1250 OG SER A 80 -3.031 -17.207 -9.990 1.00 0.00 O ATOM 0 H SER A 80 -3.325 -14.500 -9.852 1.00 0.00 H new ATOM 0 HA SER A 80 -1.222 -15.881 -11.190 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.261 -16.063 -11.192 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.229 -17.193 -12.046 1.00 0.00 H new ATOM 0 HG SER A 80 -3.499 -16.757 -9.256 1.00 0.00 H new ATOM 1256 N MET A 81 -2.870 -13.731 -13.015 1.00 0.00 N ATOM 1257 CA MET A 81 -2.772 -13.025 -14.283 1.00 0.00 C ATOM 1258 C MET A 81 -1.519 -12.149 -14.279 1.00 0.00 C ATOM 1259 O MET A 81 -0.788 -12.114 -15.266 1.00 0.00 O ATOM 1260 CB MET A 81 -4.028 -12.183 -14.522 1.00 0.00 C ATOM 1261 CG MET A 81 -4.061 -11.563 -15.926 1.00 0.00 C ATOM 1262 SD MET A 81 -4.159 -12.728 -17.323 1.00 0.00 S ATOM 1263 CE MET A 81 -2.415 -13.002 -17.746 1.00 0.00 C ATOM 0 H MET A 81 -3.533 -13.319 -12.358 1.00 0.00 H new ATOM 0 HA MET A 81 -2.695 -13.747 -15.096 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.911 -12.806 -14.383 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.077 -11.389 -13.776 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.916 -10.889 -15.982 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.166 -10.953 -16.052 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.326 -13.197 -18.815 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.835 -12.116 -17.490 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.035 -13.858 -17.188 1.00 0.00 H new ATOM 1273 N LEU A 82 -1.236 -11.477 -13.157 1.00 0.00 N ATOM 1274 CA LEU A 82 -0.087 -10.596 -12.985 1.00 0.00 C ATOM 1275 C LEU A 82 1.202 -11.348 -13.288 1.00 0.00 C ATOM 1276 O LEU A 82 2.086 -10.817 -13.962 1.00 0.00 O ATOM 1277 CB LEU A 82 -0.048 -10.068 -11.541 1.00 0.00 C ATOM 1278 CG LEU A 82 0.996 -8.965 -11.295 1.00 0.00 C ATOM 1279 CD1 LEU A 82 0.604 -7.643 -11.964 1.00 0.00 C ATOM 1280 CD2 LEU A 82 1.129 -8.760 -9.782 1.00 0.00 C ATOM 0 H LEU A 82 -1.820 -11.536 -12.323 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.180 -9.758 -13.676 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.034 -9.682 -11.281 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.156 -10.901 -10.868 1.00 0.00 H new ATOM 0 HG LEU A 82 1.944 -9.278 -11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.369 -6.893 -11.764 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.514 -7.792 -13.040 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.351 -7.302 -11.564 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.865 -7.981 -9.584 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.165 -8.462 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.451 -9.691 -9.316 1.00 0.00 H new ATOM 1292 N LYS A 83 1.319 -12.580 -12.789 1.00 0.00 N ATOM 1293 CA LYS A 83 2.487 -13.413 -13.038 1.00 0.00 C ATOM 1294 C LYS A 83 2.365 -14.178 -14.355 1.00 0.00 C ATOM 1295 O LYS A 83 3.378 -14.436 -14.996 1.00 0.00 O ATOM 1296 CB LYS A 83 2.716 -14.348 -11.837 1.00 0.00 C ATOM 1297 CG LYS A 83 4.188 -14.781 -11.801 1.00 0.00 C ATOM 1298 CD LYS A 83 4.651 -15.276 -10.424 1.00 0.00 C ATOM 1299 CE LYS A 83 6.176 -15.438 -10.375 1.00 0.00 C ATOM 1300 NZ LYS A 83 6.894 -14.158 -10.531 1.00 0.00 N ATOM 0 H LYS A 83 0.609 -13.022 -12.205 1.00 0.00 H new ATOM 0 HA LYS A 83 3.363 -12.773 -13.145 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.453 -13.838 -10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.070 -15.223 -11.915 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.343 -15.574 -12.533 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.812 -13.941 -12.104 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.333 -14.571 -9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.174 -16.230 -10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.458 -15.894 -9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.489 -16.123 -11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.881 -14.274 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.873 -13.867 -11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.435 -13.429 -9.948 1.00 0.00 H new ATOM 1314 N GLY A 84 1.152 -14.556 -14.755 1.00 0.00 N ATOM 1315 CA GLY A 84 0.863 -15.360 -15.938 1.00 0.00 C ATOM 1316 C GLY A 84 0.762 -16.842 -15.581 1.00 0.00 C ATOM 1317 O GLY A 84 0.023 -17.591 -16.225 1.00 0.00 O ATOM 0 H GLY A 84 0.309 -14.299 -14.241 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.071 -15.026 -16.389 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.646 -15.214 -16.682 1.00 0.00 H new ATOM 1321 N SER A 85 1.417 -17.264 -14.500 1.00 0.00 N ATOM 1322 CA SER A 85 1.346 -18.600 -13.934 1.00 0.00 C ATOM 1323 C SER A 85 0.480 -18.584 -12.682 1.00 0.00 C ATOM 1324 O SER A 85 0.341 -17.539 -12.048 1.00 0.00 O ATOM 1325 CB SER A 85 2.757 -19.024 -13.518 1.00 0.00 C ATOM 1326 OG SER A 85 3.552 -19.304 -14.652 1.00 0.00 O ATOM 0 H SER A 85 2.040 -16.650 -13.974 1.00 0.00 H new ATOM 0 HA SER A 85 0.926 -19.284 -14.671 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.221 -18.232 -12.930 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.703 -19.906 -12.879 1.00 0.00 H new ATOM 0 HG SER A 85 4.450 -19.571 -14.364 1.00 0.00 H new ATOM 1332 N THR A 86 -0.061 -19.743 -12.313 1.00 0.00 N ATOM 1333 CA THR A 86 -0.796 -19.944 -11.075 1.00 0.00 C ATOM 1334 C THR A 86 0.159 -19.592 -9.934 1.00 0.00 C ATOM 1335 O THR A 86 1.207 -20.227 -9.778 1.00 0.00 O ATOM 1336 CB THR A 86 -1.257 -21.406 -10.989 1.00 0.00 C ATOM 1337 OG1 THR A 86 -2.116 -21.707 -12.072 1.00 0.00 O ATOM 1338 CG2 THR A 86 -1.965 -21.723 -9.671 1.00 0.00 C ATOM 0 H THR A 86 0.003 -20.586 -12.883 1.00 0.00 H new ATOM 0 HA THR A 86 -1.687 -19.318 -11.022 1.00 0.00 H new ATOM 0 HB THR A 86 -0.361 -22.025 -11.036 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.404 -22.642 -12.011 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.269 -22.770 -9.664 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.286 -21.537 -8.839 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.845 -21.088 -9.569 1.00 0.00 H new ATOM 1346 N VAL A 87 -0.169 -18.556 -9.175 1.00 0.00 N ATOM 1347 CA VAL A 87 0.654 -18.089 -8.076 1.00 0.00 C ATOM 1348 C VAL A 87 0.268 -18.837 -6.804 1.00 0.00 C ATOM 1349 O VAL A 87 -0.904 -19.133 -6.558 1.00 0.00 O ATOM 1350 CB VAL A 87 0.439 -16.568 -7.929 1.00 0.00 C ATOM 1351 CG1 VAL A 87 1.036 -15.995 -6.642 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.102 -15.817 -9.090 1.00 0.00 C ATOM 0 H VAL A 87 -1.022 -18.013 -9.309 1.00 0.00 H new ATOM 0 HA VAL A 87 1.710 -18.280 -8.265 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.642 -16.431 -7.916 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.850 -14.922 -6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.574 -16.477 -5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.110 -16.178 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.940 -14.746 -8.970 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.172 -16.024 -9.094 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.666 -16.146 -10.033 1.00 0.00 H new ATOM 1362 N GLU A 88 1.274 -19.159 -5.993 1.00 0.00 N ATOM 1363 CA GLU A 88 1.063 -19.731 -4.681 1.00 0.00 C ATOM 1364 C GLU A 88 0.806 -18.531 -3.786 1.00 0.00 C ATOM 1365 O GLU A 88 1.737 -17.936 -3.235 1.00 0.00 O ATOM 1366 CB GLU A 88 2.247 -20.604 -4.248 1.00 0.00 C ATOM 1367 CG GLU A 88 2.050 -22.066 -4.636 1.00 0.00 C ATOM 1368 CD GLU A 88 0.992 -22.638 -3.698 1.00 0.00 C ATOM 1369 OE1 GLU A 88 1.313 -22.943 -2.524 1.00 0.00 O ATOM 1370 OE2 GLU A 88 -0.196 -22.701 -4.094 1.00 0.00 O ATOM 0 H GLU A 88 2.256 -19.027 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 88 0.222 -20.423 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.162 -20.227 -4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.377 -20.530 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 88 1.730 -22.150 -5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.985 -22.618 -4.545 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.454 -18.111 -3.736 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.870 -16.915 -3.039 1.00 0.00 C ATOM 1379 C LEU A 89 -1.350 -17.287 -1.652 1.00 0.00 C ATOM 1380 O LEU A 89 -2.365 -17.968 -1.498 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.934 -16.149 -3.834 1.00 0.00 C ATOM 1382 CG LEU A 89 -2.557 -14.977 -3.048 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -1.615 -13.955 -2.418 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -3.467 -14.201 -3.985 1.00 0.00 C ATOM 0 H LEU A 89 -1.222 -18.606 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.020 -16.241 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.486 -15.765 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.724 -16.840 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.052 -15.470 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.198 -13.193 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.959 -14.456 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.014 -13.485 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.918 -13.367 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.885 -13.819 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.252 -14.859 -4.357 1.00 0.00 H new ATOM 1396 N THR A 90 -0.614 -16.819 -0.657 1.00 0.00 N ATOM 1397 CA THR A 90 -0.970 -16.936 0.741 1.00 0.00 C ATOM 1398 C THR A 90 -1.038 -15.503 1.257 1.00 0.00 C ATOM 1399 O THR A 90 -0.367 -14.604 0.743 1.00 0.00 O ATOM 1400 CB THR A 90 0.072 -17.780 1.485 1.00 0.00 C ATOM 1401 OG1 THR A 90 0.239 -19.030 0.843 1.00 0.00 O ATOM 1402 CG2 THR A 90 -0.277 -18.075 2.942 1.00 0.00 C ATOM 0 H THR A 90 0.271 -16.335 -0.807 1.00 0.00 H new ATOM 0 HA THR A 90 -1.922 -17.444 0.895 1.00 0.00 H new ATOM 0 HB THR A 90 0.979 -17.176 1.467 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.908 -19.559 1.326 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.514 -18.676 3.391 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.375 -17.138 3.490 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.219 -18.622 2.987 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.814 -15.294 2.306 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.916 -14.025 3.004 1.00 0.00 C ATOM 1412 C ILE A 91 -1.426 -14.372 4.401 1.00 0.00 C ATOM 1413 O ILE A 91 -2.108 -15.085 5.144 1.00 0.00 O ATOM 1414 CB ILE A 91 -3.346 -13.443 2.946 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -3.860 -13.289 1.494 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -3.374 -12.064 3.633 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -5.377 -13.117 1.428 1.00 0.00 C ATOM 0 H ILE A 91 -2.406 -16.022 2.706 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.326 -13.222 2.561 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.000 -14.145 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.379 -12.428 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.571 -14.166 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.384 -11.657 3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.069 -12.170 4.674 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.688 -11.389 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.686 -13.013 0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.862 -13.990 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.667 -12.225 1.983 1.00 0.00 H new ATOM 1429 N VAL A 92 -0.215 -13.937 4.720 1.00 0.00 N ATOM 1430 CA VAL A 92 0.444 -14.176 5.996 1.00 0.00 C ATOM 1431 C VAL A 92 0.322 -12.874 6.790 1.00 0.00 C ATOM 1432 O VAL A 92 -0.186 -11.881 6.261 1.00 0.00 O ATOM 1433 CB VAL A 92 1.893 -14.670 5.773 1.00 0.00 C ATOM 1434 CG1 VAL A 92 1.939 -15.936 4.902 1.00 0.00 C ATOM 1435 CG2 VAL A 92 2.818 -13.629 5.137 1.00 0.00 C ATOM 0 H VAL A 92 0.355 -13.389 4.075 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.021 -14.976 6.573 1.00 0.00 H new ATOM 0 HB VAL A 92 2.256 -14.881 6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.975 -16.249 4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.378 -16.733 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.497 -15.724 3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.814 -14.054 5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.425 -13.340 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.875 -12.751 5.780 1.00 0.00 H new ATOM 1445 N GLU A 93 0.732 -12.843 8.056 1.00 0.00 N ATOM 1446 CA GLU A 93 0.520 -11.679 8.897 1.00 0.00 C ATOM 1447 C GLU A 93 1.776 -11.230 9.637 1.00 0.00 C ATOM 1448 O GLU A 93 2.490 -12.052 10.218 1.00 0.00 O ATOM 1449 CB GLU A 93 -0.630 -11.954 9.865 1.00 0.00 C ATOM 1450 CG GLU A 93 -0.422 -13.185 10.762 1.00 0.00 C ATOM 1451 CD GLU A 93 -0.994 -12.946 12.151 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -0.252 -12.435 13.020 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -2.185 -13.271 12.367 1.00 0.00 O ATOM 0 H GLU A 93 1.213 -13.615 8.518 1.00 0.00 H new ATOM 0 HA GLU A 93 0.257 -10.847 8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.774 -11.078 10.498 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.548 -12.088 9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.902 -14.054 10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.642 -13.411 10.836 1.00 0.00 H new ATOM 1460 N ASP A 94 2.075 -9.935 9.595 1.00 0.00 N ATOM 1461 CA ASP A 94 3.161 -9.364 10.380 1.00 0.00 C ATOM 1462 C ASP A 94 2.751 -8.001 10.904 1.00 0.00 C ATOM 1463 O ASP A 94 2.208 -7.197 10.144 1.00 0.00 O ATOM 1464 CB ASP A 94 4.489 -9.328 9.630 1.00 0.00 C ATOM 1465 CG ASP A 94 5.587 -9.307 10.689 1.00 0.00 C ATOM 1466 OD1 ASP A 94 6.001 -10.403 11.137 1.00 0.00 O ATOM 1467 OD2 ASP A 94 5.956 -8.216 11.168 1.00 0.00 O ATOM 0 H ASP A 94 1.575 -9.257 9.020 1.00 0.00 H new ATOM 0 HA ASP A 94 3.341 -10.022 11.230 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.592 -10.199 8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.550 -8.447 8.991 1.00 0.00 H new ATOM 1472 N ASP A 95 2.985 -7.744 12.188 1.00 0.00 N ATOM 1473 CA ASP A 95 2.670 -6.470 12.830 1.00 0.00 C ATOM 1474 C ASP A 95 3.468 -5.355 12.158 1.00 0.00 C ATOM 1475 O ASP A 95 2.889 -4.461 11.547 1.00 0.00 O ATOM 1476 CB ASP A 95 2.955 -6.572 14.335 1.00 0.00 C ATOM 1477 CG ASP A 95 2.703 -5.270 15.098 1.00 0.00 C ATOM 1478 OD1 ASP A 95 3.414 -4.270 14.852 1.00 0.00 O ATOM 1479 OD2 ASP A 95 1.918 -5.293 16.070 1.00 0.00 O ATOM 0 H ASP A 95 3.405 -8.424 12.821 1.00 0.00 H new ATOM 0 HA ASP A 95 1.613 -6.232 12.715 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.333 -7.359 14.761 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.993 -6.873 14.480 1.00 0.00 H new ATOM 1484 N ASN A 96 4.797 -5.430 12.224 1.00 0.00 N ATOM 1485 CA ASN A 96 5.707 -4.467 11.616 1.00 0.00 C ATOM 1486 C ASN A 96 7.083 -5.121 11.498 1.00 0.00 C ATOM 1487 O ASN A 96 7.823 -5.099 12.481 1.00 0.00 O ATOM 1488 CB ASN A 96 5.784 -3.180 12.456 1.00 0.00 C ATOM 1489 CG ASN A 96 6.638 -2.112 11.778 1.00 0.00 C ATOM 1490 OD1 ASN A 96 6.111 -1.133 11.251 1.00 0.00 O ATOM 1491 ND2 ASN A 96 7.952 -2.246 11.787 1.00 0.00 N ATOM 0 H ASN A 96 5.280 -6.182 12.715 1.00 0.00 H new ATOM 0 HA ASN A 96 5.343 -4.186 10.628 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.779 -2.792 12.620 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.200 -3.410 13.437 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.540 -1.534 11.354 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.378 -3.062 12.227 1.00 0.00 H new ATOM 1498 N PRO A 97 7.448 -5.725 10.359 1.00 0.00 N ATOM 1499 CA PRO A 97 8.780 -6.263 10.166 1.00 0.00 C ATOM 1500 C PRO A 97 9.688 -5.071 9.858 1.00 0.00 C ATOM 1501 O PRO A 97 10.234 -4.450 10.770 1.00 0.00 O ATOM 1502 CB PRO A 97 8.626 -7.302 9.050 1.00 0.00 C ATOM 1503 CG PRO A 97 7.423 -6.818 8.236 1.00 0.00 C ATOM 1504 CD PRO A 97 6.625 -5.921 9.182 1.00 0.00 C ATOM 0 HA PRO A 97 9.235 -6.768 11.018 1.00 0.00 H new ATOM 0 HB2 PRO A 97 9.524 -7.359 8.435 1.00 0.00 H new ATOM 0 HB3 PRO A 97 8.454 -8.299 9.457 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.743 -6.268 7.351 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.820 -7.657 7.889 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.393 -4.967 8.708 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.675 -6.385 9.446 1.00 0.00 H new ATOM 1512 N ALA A 98 9.780 -4.696 8.584 1.00 0.00 N ATOM 1513 CA ALA A 98 10.488 -3.519 8.114 1.00 0.00 C ATOM 1514 C ALA A 98 9.807 -2.973 6.871 1.00 0.00 C ATOM 1515 O ALA A 98 9.503 -1.784 6.770 1.00 0.00 O ATOM 1516 CB ALA A 98 11.958 -3.857 7.873 1.00 0.00 C ATOM 0 H ALA A 98 9.346 -5.226 7.828 1.00 0.00 H new ATOM 0 HA ALA A 98 10.457 -2.737 8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.482 -2.969 7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.410 -4.200 8.804 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.032 -4.644 7.122 1.00 0.00 H new ATOM 1522 N VAL A 99 9.525 -3.899 5.970 1.00 0.00 N ATOM 1523 CA VAL A 99 8.823 -3.684 4.716 1.00 0.00 C ATOM 1524 C VAL A 99 7.484 -3.015 5.008 1.00 0.00 C ATOM 1525 O VAL A 99 6.692 -3.501 5.828 1.00 0.00 O ATOM 1526 CB VAL A 99 8.612 -4.978 3.913 1.00 0.00 C ATOM 1527 CG1 VAL A 99 8.328 -4.656 2.437 1.00 0.00 C ATOM 1528 CG2 VAL A 99 9.791 -5.955 3.993 1.00 0.00 C ATOM 0 H VAL A 99 9.794 -4.874 6.101 1.00 0.00 H new ATOM 0 HA VAL A 99 9.445 -3.040 4.094 1.00 0.00 H new ATOM 0 HB VAL A 99 7.754 -5.470 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.181 -5.584 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.429 -4.044 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.172 -4.111 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.568 -6.843 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.688 -5.475 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.956 -6.242 5.031 1.00 0.00 H new ATOM 1538 N ARG A 100 7.261 -1.886 4.350 1.00 0.00 N ATOM 1539 CA ARG A 100 6.026 -1.122 4.428 1.00 0.00 C ATOM 1540 C ARG A 100 5.026 -1.630 3.401 1.00 0.00 C ATOM 1541 O ARG A 100 5.406 -2.058 2.308 1.00 0.00 O ATOM 1542 CB ARG A 100 6.322 0.370 4.189 1.00 0.00 C ATOM 1543 CG ARG A 100 7.279 0.996 5.217 1.00 0.00 C ATOM 1544 CD ARG A 100 6.824 0.698 6.650 1.00 0.00 C ATOM 1545 NE ARG A 100 7.430 1.603 7.632 1.00 0.00 N ATOM 1546 CZ ARG A 100 8.217 1.286 8.664 1.00 0.00 C ATOM 1547 NH1 ARG A 100 8.789 0.092 8.749 1.00 0.00 N ATOM 1548 NH2 ARG A 100 8.409 2.180 9.624 1.00 0.00 N ATOM 0 H ARG A 100 7.954 -1.466 3.731 1.00 0.00 H new ATOM 0 HA ARG A 100 5.595 -1.245 5.421 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.748 0.489 3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.382 0.922 4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.286 0.608 5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.326 2.074 5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.739 0.779 6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.080 -0.331 6.902 1.00 0.00 H new ATOM 0 HE ARG A 100 7.226 2.595 7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.631 -0.602 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.387 -0.132 9.545 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.959 3.094 9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.007 1.954 10.419 1.00 0.00 H new ATOM 1562 N THR A 101 3.746 -1.605 3.760 1.00 0.00 N ATOM 1563 CA THR A 101 2.664 -1.926 2.839 1.00 0.00 C ATOM 1564 C THR A 101 2.546 -0.735 1.874 1.00 0.00 C ATOM 1565 O THR A 101 3.026 0.353 2.208 1.00 0.00 O ATOM 1566 CB THR A 101 1.377 -2.149 3.652 1.00 0.00 C ATOM 1567 OG1 THR A 101 1.019 -0.962 4.330 1.00 0.00 O ATOM 1568 CG2 THR A 101 1.545 -3.258 4.697 1.00 0.00 C ATOM 0 H THR A 101 3.431 -1.361 4.699 1.00 0.00 H new ATOM 0 HA THR A 101 2.847 -2.836 2.268 1.00 0.00 H new ATOM 0 HB THR A 101 0.602 -2.442 2.944 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.134 -1.089 5.295 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.613 -3.383 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.799 -4.193 4.198 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.343 -2.988 5.389 1.00 0.00 H new ATOM 1576 N PRO A 102 1.875 -0.842 0.718 1.00 0.00 N ATOM 1577 CA PRO A 102 1.683 0.312 -0.144 1.00 0.00 C ATOM 1578 C PRO A 102 0.772 1.350 0.539 1.00 0.00 C ATOM 1579 O PRO A 102 0.860 2.540 0.224 1.00 0.00 O ATOM 1580 CB PRO A 102 1.135 -0.256 -1.451 1.00 0.00 C ATOM 1581 CG PRO A 102 0.356 -1.471 -0.987 1.00 0.00 C ATOM 1582 CD PRO A 102 1.217 -2.006 0.155 1.00 0.00 C ATOM 0 HA PRO A 102 2.601 0.864 -0.346 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.497 0.461 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.934 -0.527 -2.141 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.645 -1.205 -0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.239 -2.205 -1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.607 -2.513 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.945 -2.732 -0.208 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.086 0.942 1.489 1.00 0.00 N ATOM 1591 CA LEU A 103 -0.881 1.881 2.274 1.00 0.00 C ATOM 1592 C LEU A 103 0.063 2.750 3.108 1.00 0.00 C ATOM 1593 O LEU A 103 -0.052 3.975 3.079 1.00 0.00 O ATOM 1594 CB LEU A 103 -1.880 1.146 3.179 1.00 0.00 C ATOM 1595 CG LEU A 103 -2.922 2.104 3.791 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.050 2.390 2.790 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -3.540 1.481 5.041 1.00 0.00 C ATOM 0 H LEU A 103 -0.242 -0.037 1.727 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.460 2.509 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.391 0.375 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.340 0.640 3.979 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.411 3.033 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.774 3.068 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.633 2.849 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.545 1.456 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.274 2.167 5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.029 0.544 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.758 1.288 5.776 1.00 0.00 H new ATOM 1609 N GLU A 104 1.011 2.130 3.819 1.00 0.00 N ATOM 1610 CA GLU A 104 1.981 2.875 4.602 1.00 0.00 C ATOM 1611 C GLU A 104 2.956 3.635 3.707 1.00 0.00 C ATOM 1612 O GLU A 104 3.263 4.763 4.058 1.00 0.00 O ATOM 1613 CB GLU A 104 2.724 1.991 5.616 1.00 0.00 C ATOM 1614 CG GLU A 104 2.030 1.944 6.990 1.00 0.00 C ATOM 1615 CD GLU A 104 0.833 0.995 7.072 1.00 0.00 C ATOM 1616 OE1 GLU A 104 1.032 -0.194 7.419 1.00 0.00 O ATOM 1617 OE2 GLU A 104 -0.325 1.434 6.901 1.00 0.00 O ATOM 0 H GLU A 104 1.120 1.117 3.863 1.00 0.00 H new ATOM 0 HA GLU A 104 1.417 3.607 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.803 0.979 5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.740 2.365 5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.762 1.648 7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.697 2.949 7.248 1.00 0.00 H new ATOM 1624 N TRP A 105 3.403 3.117 2.556 1.00 0.00 N ATOM 1625 CA TRP A 105 4.282 3.880 1.655 1.00 0.00 C ATOM 1626 C TRP A 105 3.618 5.183 1.210 1.00 0.00 C ATOM 1627 O TRP A 105 4.261 6.230 1.225 1.00 0.00 O ATOM 1628 CB TRP A 105 4.683 3.080 0.408 1.00 0.00 C ATOM 1629 CG TRP A 105 5.819 2.112 0.535 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.715 0.766 0.490 1.00 0.00 C ATOM 1631 CD2 TRP A 105 7.253 2.390 0.586 1.00 0.00 C ATOM 1632 NE1 TRP A 105 6.968 0.195 0.497 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.958 1.151 0.514 1.00 0.00 C ATOM 1634 CE3 TRP A 105 8.034 3.566 0.653 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 9.358 1.082 0.465 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 9.441 3.502 0.631 1.00 0.00 C ATOM 1637 CH2 TRP A 105 10.105 2.268 0.516 1.00 0.00 C ATOM 0 H TRP A 105 3.174 2.179 2.226 1.00 0.00 H new ATOM 0 HA TRP A 105 5.182 4.099 2.229 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.807 2.526 0.069 1.00 0.00 H new ATOM 0 HB3 TRP A 105 4.935 3.791 -0.379 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.785 0.218 0.454 1.00 0.00 H new ATOM 0 HE1 TRP A 105 7.141 -0.810 0.490 1.00 0.00 H new ATOM 0 HE3 TRP A 105 7.545 4.527 0.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.855 0.126 0.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 10.017 4.413 0.703 1.00 0.00 H new ATOM 0 HH2 TRP A 105 11.183 2.234 0.467 1.00 0.00 H new ATOM 1648 N ARG A 106 2.332 5.141 0.841 1.00 0.00 N ATOM 1649 CA ARG A 106 1.553 6.338 0.516 1.00 0.00 C ATOM 1650 C ARG A 106 1.673 7.323 1.671 1.00 0.00 C ATOM 1651 O ARG A 106 2.041 8.476 1.466 1.00 0.00 O ATOM 1652 CB ARG A 106 0.101 5.921 0.227 1.00 0.00 C ATOM 1653 CG ARG A 106 -0.912 7.067 0.059 1.00 0.00 C ATOM 1654 CD ARG A 106 -2.376 6.620 0.226 1.00 0.00 C ATOM 1655 NE ARG A 106 -2.953 5.997 -0.976 1.00 0.00 N ATOM 1656 CZ ARG A 106 -2.856 4.719 -1.365 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -2.065 3.855 -0.739 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -3.557 4.316 -2.416 1.00 0.00 N ATOM 0 H ARG A 106 1.803 4.273 0.760 1.00 0.00 H new ATOM 0 HA ARG A 106 1.929 6.836 -0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.091 5.319 -0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.239 5.278 1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.692 7.846 0.789 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.786 7.511 -0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.437 5.913 1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.980 7.485 0.500 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.491 6.612 -1.586 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.510 4.159 0.061 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.012 2.888 -1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.156 4.975 -2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.497 3.347 -2.728 1.00 0.00 H new ATOM 1672 N GLN A 107 1.345 6.876 2.880 1.00 0.00 N ATOM 1673 CA GLN A 107 1.385 7.730 4.055 1.00 0.00 C ATOM 1674 C GLN A 107 2.808 8.237 4.315 1.00 0.00 C ATOM 1675 O GLN A 107 2.966 9.403 4.657 1.00 0.00 O ATOM 1676 CB GLN A 107 0.848 6.956 5.268 1.00 0.00 C ATOM 1677 CG GLN A 107 0.467 7.897 6.422 1.00 0.00 C ATOM 1678 CD GLN A 107 0.649 7.249 7.792 1.00 0.00 C ATOM 1679 OE1 GLN A 107 1.258 7.835 8.680 1.00 0.00 O ATOM 1680 NE2 GLN A 107 0.144 6.053 8.016 1.00 0.00 N ATOM 0 H GLN A 107 1.047 5.919 3.068 1.00 0.00 H new ATOM 0 HA GLN A 107 0.754 8.602 3.882 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.024 6.374 4.971 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.602 6.248 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.077 8.799 6.367 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.572 8.207 6.306 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -0.363 5.567 7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 107 0.259 5.613 8.929 1.00 0.00 H new ATOM 1689 N ALA A 108 3.834 7.406 4.149 1.00 0.00 N ATOM 1690 CA ALA A 108 5.216 7.755 4.413 1.00 0.00 C ATOM 1691 C ALA A 108 5.667 8.859 3.469 1.00 0.00 C ATOM 1692 O ALA A 108 6.318 9.798 3.896 1.00 0.00 O ATOM 1693 CB ALA A 108 6.107 6.526 4.248 1.00 0.00 C ATOM 0 H ALA A 108 3.718 6.448 3.818 1.00 0.00 H new ATOM 0 HA ALA A 108 5.299 8.115 5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.143 6.798 4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.793 5.752 4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.022 6.149 3.229 1.00 0.00 H new ATOM 1699 N ILE A 109 5.290 8.787 2.196 1.00 0.00 N ATOM 1700 CA ILE A 109 5.686 9.759 1.180 1.00 0.00 C ATOM 1701 C ILE A 109 5.015 11.125 1.440 1.00 0.00 C ATOM 1702 O ILE A 109 5.500 12.158 0.971 1.00 0.00 O ATOM 1703 CB ILE A 109 5.442 9.084 -0.191 1.00 0.00 C ATOM 1704 CG1 ILE A 109 6.596 8.065 -0.379 1.00 0.00 C ATOM 1705 CG2 ILE A 109 5.370 10.024 -1.402 1.00 0.00 C ATOM 1706 CD1 ILE A 109 6.390 7.072 -1.517 1.00 0.00 C ATOM 0 H ILE A 109 4.693 8.043 1.836 1.00 0.00 H new ATOM 0 HA ILE A 109 6.743 10.024 1.207 1.00 0.00 H new ATOM 0 HB ILE A 109 4.451 8.630 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.521 8.613 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.727 7.510 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.196 9.440 -2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.553 10.732 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.310 10.568 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.246 6.400 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.485 6.492 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.291 7.613 -2.458 1.00 0.00 H new ATOM 1718 N TYR A 110 3.932 11.162 2.219 1.00 0.00 N ATOM 1719 CA TYR A 110 3.277 12.388 2.662 1.00 0.00 C ATOM 1720 C TYR A 110 3.989 12.866 3.919 1.00 0.00 C ATOM 1721 O TYR A 110 4.405 14.020 4.013 1.00 0.00 O ATOM 1722 CB TYR A 110 1.807 12.073 2.961 1.00 0.00 C ATOM 1723 CG TYR A 110 0.929 13.147 3.576 1.00 0.00 C ATOM 1724 CD1 TYR A 110 1.159 14.523 3.374 1.00 0.00 C ATOM 1725 CD2 TYR A 110 -0.166 12.732 4.356 1.00 0.00 C ATOM 1726 CE1 TYR A 110 0.286 15.474 3.934 1.00 0.00 C ATOM 1727 CE2 TYR A 110 -1.042 13.673 4.916 1.00 0.00 C ATOM 1728 CZ TYR A 110 -0.819 15.049 4.705 1.00 0.00 C ATOM 1729 OH TYR A 110 -1.715 15.942 5.206 1.00 0.00 O ATOM 0 H TYR A 110 3.477 10.318 2.566 1.00 0.00 H new ATOM 0 HA TYR A 110 3.322 13.166 1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.341 11.765 2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.785 11.211 3.627 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.006 14.848 2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.333 11.679 4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.461 16.528 3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.884 13.345 5.507 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.771 16.719 4.611 1.00 0.00 H new ATOM 1739 N GLU A 111 4.133 11.956 4.879 1.00 0.00 N ATOM 1740 CA GLU A 111 4.721 12.192 6.173 1.00 0.00 C ATOM 1741 C GLU A 111 6.165 12.635 6.023 1.00 0.00 C ATOM 1742 O GLU A 111 6.586 13.448 6.818 1.00 0.00 O ATOM 1743 CB GLU A 111 4.585 10.936 7.040 1.00 0.00 C ATOM 1744 CG GLU A 111 5.117 11.184 8.455 1.00 0.00 C ATOM 1745 CD GLU A 111 4.705 10.061 9.399 1.00 0.00 C ATOM 1746 OE1 GLU A 111 5.348 8.989 9.417 1.00 0.00 O ATOM 1747 OE2 GLU A 111 3.684 10.238 10.103 1.00 0.00 O ATOM 0 H GLU A 111 3.825 10.991 4.759 1.00 0.00 H new ATOM 0 HA GLU A 111 4.190 13.000 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.538 10.635 7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.132 10.112 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.204 11.262 8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 111 4.737 12.135 8.828 1.00 0.00 H new ATOM 1754 N GLU A 112 6.894 12.228 4.986 1.00 0.00 N ATOM 1755 CA GLU A 112 8.240 12.676 4.668 1.00 0.00 C ATOM 1756 C GLU A 112 8.297 14.205 4.667 1.00 0.00 C ATOM 1757 O GLU A 112 9.226 14.793 5.218 1.00 0.00 O ATOM 1758 CB GLU A 112 8.629 12.107 3.294 1.00 0.00 C ATOM 1759 CG GLU A 112 9.462 10.819 3.370 1.00 0.00 C ATOM 1760 CD GLU A 112 10.915 11.035 3.812 1.00 0.00 C ATOM 1761 OE1 GLU A 112 11.534 12.066 3.462 1.00 0.00 O ATOM 1762 OE2 GLU A 112 11.472 10.114 4.464 1.00 0.00 O ATOM 0 H GLU A 112 6.542 11.545 4.316 1.00 0.00 H new ATOM 0 HA GLU A 112 8.946 12.320 5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.722 11.909 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.193 12.861 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 112 8.982 10.129 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.459 10.340 2.391 1.00 0.00 H new ATOM 1769 N LYS A 113 7.279 14.880 4.114 1.00 0.00 N ATOM 1770 CA LYS A 113 7.309 16.340 4.057 1.00 0.00 C ATOM 1771 C LYS A 113 7.013 16.980 5.413 1.00 0.00 C ATOM 1772 O LYS A 113 7.325 18.155 5.617 1.00 0.00 O ATOM 1773 CB LYS A 113 6.373 16.846 2.954 1.00 0.00 C ATOM 1774 CG LYS A 113 6.989 18.083 2.282 1.00 0.00 C ATOM 1775 CD LYS A 113 6.250 18.440 0.987 1.00 0.00 C ATOM 1776 CE LYS A 113 7.209 18.976 -0.079 1.00 0.00 C ATOM 1777 NZ LYS A 113 7.934 17.870 -0.734 1.00 0.00 N ATOM 0 H LYS A 113 6.447 14.448 3.711 1.00 0.00 H new ATOM 0 HA LYS A 113 8.323 16.648 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 113 6.209 16.062 2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 113 5.399 17.096 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.953 18.929 2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 113 8.040 17.895 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 113 5.737 17.557 0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 113 5.485 19.187 1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.651 19.543 -0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.921 19.663 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.579 18.255 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.482 17.345 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.252 17.229 -1.188 1.00 0.00 H new ATOM 1791 N LEU A 114 6.413 16.248 6.345 1.00 0.00 N ATOM 1792 CA LEU A 114 6.177 16.668 7.725 1.00 0.00 C ATOM 1793 C LEU A 114 7.417 16.315 8.548 1.00 0.00 C ATOM 1794 O LEU A 114 7.830 17.073 9.421 1.00 0.00 O ATOM 1795 CB LEU A 114 4.942 15.937 8.293 1.00 0.00 C ATOM 1796 CG LEU A 114 3.576 16.546 7.933 1.00 0.00 C ATOM 1797 CD1 LEU A 114 3.296 16.598 6.424 1.00 0.00 C ATOM 1798 CD2 LEU A 114 2.471 15.721 8.606 1.00 0.00 C ATOM 0 H LEU A 114 6.063 15.309 6.154 1.00 0.00 H new ATOM 0 HA LEU A 114 5.991 17.741 7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.962 14.905 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.030 15.907 9.379 1.00 0.00 H new ATOM 0 HG LEU A 114 3.593 17.576 8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.315 17.040 6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.058 17.203 5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.316 15.588 6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.498 16.145 8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 114 2.520 14.691 8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.609 15.741 9.687 1.00 0.00 H new ATOM 1810 N ALA A 115 8.018 15.167 8.255 1.00 0.00 N ATOM 1811 CA ALA A 115 9.121 14.550 8.943 1.00 0.00 C ATOM 1812 C ALA A 115 10.372 15.370 8.721 1.00 0.00 C ATOM 1813 O ALA A 115 11.081 15.609 9.683 1.00 0.00 O ATOM 1814 CB ALA A 115 9.313 13.120 8.433 1.00 0.00 C ATOM 0 H ALA A 115 7.712 14.605 7.461 1.00 0.00 H new ATOM 0 HA ALA A 115 8.913 14.509 10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 115 10.149 12.656 8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 115 8.406 12.544 8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 115 9.521 13.140 7.363 1.00 0.00 H new ATOM 1820 N GLN A 116 10.611 15.882 7.509 1.00 0.00 N ATOM 1821 CA GLN A 116 11.791 16.712 7.260 1.00 0.00 C ATOM 1822 C GLN A 116 11.761 17.990 8.104 1.00 0.00 C ATOM 1823 O GLN A 116 12.812 18.533 8.444 1.00 0.00 O ATOM 1824 CB GLN A 116 12.012 16.958 5.756 1.00 0.00 C ATOM 1825 CG GLN A 116 10.905 17.696 4.989 1.00 0.00 C ATOM 1826 CD GLN A 116 10.831 19.196 5.264 1.00 0.00 C ATOM 1827 OE1 GLN A 116 11.815 19.924 5.211 1.00 0.00 O ATOM 1828 NE2 GLN A 116 9.647 19.710 5.544 1.00 0.00 N ATOM 0 H GLN A 116 10.012 15.738 6.696 1.00 0.00 H new ATOM 0 HA GLN A 116 12.671 16.161 7.590 1.00 0.00 H new ATOM 0 HB2 GLN A 116 12.936 17.524 5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 116 12.167 15.992 5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 116 11.058 17.543 3.921 1.00 0.00 H new ATOM 0 HG3 GLN A 116 9.945 17.246 5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 116 8.826 19.106 5.589 1.00 0.00 H new ATOM 0 HE22 GLN A 116 9.553 20.711 5.716 1.00 0.00 H new ATOM 1837 N ALA A 117 10.565 18.438 8.504 1.00 0.00 N ATOM 1838 CA ALA A 117 10.422 19.565 9.410 1.00 0.00 C ATOM 1839 C ALA A 117 10.923 19.183 10.811 1.00 0.00 C ATOM 1840 O ALA A 117 11.673 19.959 11.401 1.00 0.00 O ATOM 1841 CB ALA A 117 8.977 20.079 9.424 1.00 0.00 C ATOM 0 H ALA A 117 9.680 18.027 8.207 1.00 0.00 H new ATOM 0 HA ALA A 117 11.041 20.389 9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.897 20.922 10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.695 20.399 8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.310 19.281 9.751 1.00 0.00 H new ATOM 1847 N ARG A 118 10.568 18.002 11.336 1.00 0.00 N ATOM 1848 CA ARG A 118 11.077 17.508 12.622 1.00 0.00 C ATOM 1849 C ARG A 118 12.561 17.169 12.520 1.00 0.00 C ATOM 1850 O ARG A 118 13.344 17.520 13.404 1.00 0.00 O ATOM 1851 CB ARG A 118 10.292 16.264 13.073 1.00 0.00 C ATOM 1852 CG ARG A 118 10.741 15.791 14.471 1.00 0.00 C ATOM 1853 CD ARG A 118 10.234 14.392 14.822 1.00 0.00 C ATOM 1854 NE ARG A 118 10.945 13.371 14.035 1.00 0.00 N ATOM 1855 CZ ARG A 118 11.134 12.087 14.341 1.00 0.00 C ATOM 1856 NH1 ARG A 118 10.675 11.587 15.482 1.00 0.00 N ATOM 1857 NH2 ARG A 118 11.782 11.321 13.476 1.00 0.00 N ATOM 0 H ARG A 118 9.919 17.362 10.880 1.00 0.00 H new ATOM 0 HA ARG A 118 10.945 18.298 13.361 1.00 0.00 H new ATOM 0 HB2 ARG A 118 9.226 16.491 13.089 1.00 0.00 H new ATOM 0 HB3 ARG A 118 10.436 15.460 12.352 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.830 15.799 14.518 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.384 16.499 15.219 1.00 0.00 H new ATOM 0 HD2 ARG A 118 10.377 14.204 15.886 1.00 0.00 H new ATOM 0 HD3 ARG A 118 9.163 14.328 14.628 1.00 0.00 H new ATOM 0 HE ARG A 118 11.341 13.684 13.148 1.00 0.00 H new ATOM 0 HH11 ARG A 118 10.172 12.187 16.136 1.00 0.00 H new ATOM 0 HH12 ARG A 118 10.826 10.603 15.705 1.00 0.00 H new ATOM 0 HH21 ARG A 118 12.123 11.717 12.600 1.00 0.00 H new ATOM 0 HH22 ARG A 118 11.940 10.335 13.686 1.00 0.00 H new ATOM 1871 N GLU A 119 12.957 16.460 11.466 1.00 0.00 N ATOM 1872 CA GLU A 119 14.317 16.004 11.242 1.00 0.00 C ATOM 1873 C GLU A 119 15.289 17.175 11.126 1.00 0.00 C ATOM 1874 O GLU A 119 16.482 16.969 11.330 1.00 0.00 O ATOM 1875 CB GLU A 119 14.418 15.026 10.065 1.00 0.00 C ATOM 1876 CG GLU A 119 14.299 13.555 10.497 1.00 0.00 C ATOM 1877 CD GLU A 119 12.874 12.998 10.449 1.00 0.00 C ATOM 1878 OE1 GLU A 119 12.112 13.133 11.437 1.00 0.00 O ATOM 1879 OE2 GLU A 119 12.557 12.321 9.441 1.00 0.00 O ATOM 0 H GLU A 119 12.316 16.181 10.723 1.00 0.00 H new ATOM 0 HA GLU A 119 14.616 15.437 12.123 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.633 15.252 9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 119 15.371 15.174 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 119 14.936 12.947 9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.682 13.455 11.513 1.00 0.00 H new ATOM 1886 N SER A 120 14.795 18.395 10.898 1.00 0.00 N ATOM 1887 CA SER A 120 15.588 19.610 10.905 1.00 0.00 C ATOM 1888 C SER A 120 16.248 19.758 12.287 1.00 0.00 C ATOM 1889 O SER A 120 17.433 20.083 12.377 1.00 0.00 O ATOM 1890 CB SER A 120 14.643 20.783 10.599 1.00 0.00 C ATOM 1891 OG SER A 120 15.332 21.943 10.170 1.00 0.00 O ATOM 0 H SER A 120 13.808 18.561 10.700 1.00 0.00 H new ATOM 0 HA SER A 120 16.379 19.586 10.155 1.00 0.00 H new ATOM 0 HB2 SER A 120 13.934 20.481 9.828 1.00 0.00 H new ATOM 0 HB3 SER A 120 14.063 21.019 11.491 1.00 0.00 H new ATOM 0 HG SER A 120 14.687 22.658 9.987 1.00 0.00 H new ATOM 1897 N ILE A 121 15.504 19.471 13.363 1.00 0.00 N ATOM 1898 CA ILE A 121 15.956 19.541 14.749 1.00 0.00 C ATOM 1899 C ILE A 121 16.735 18.265 15.113 1.00 0.00 C ATOM 1900 O ILE A 121 17.488 18.260 16.085 1.00 0.00 O ATOM 1901 CB ILE A 121 14.765 19.836 15.699 1.00 0.00 C ATOM 1902 CG1 ILE A 121 13.919 21.039 15.217 1.00 0.00 C ATOM 1903 CG2 ILE A 121 15.241 20.176 17.124 1.00 0.00 C ATOM 1904 CD1 ILE A 121 12.698 20.636 14.388 1.00 0.00 C ATOM 0 H ILE A 121 14.532 19.172 13.283 1.00 0.00 H new ATOM 0 HA ILE A 121 16.648 20.374 14.871 1.00 0.00 H new ATOM 0 HB ILE A 121 14.167 18.925 15.697 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.587 21.609 16.084 1.00 0.00 H new ATOM 0 HG13 ILE A 121 14.549 21.701 14.623 1.00 0.00 H new ATOM 0 HG21 ILE A 121 14.377 20.376 17.758 1.00 0.00 H new ATOM 0 HG22 ILE A 121 15.803 19.335 17.530 1.00 0.00 H new ATOM 0 HG23 ILE A 121 15.881 21.058 17.093 1.00 0.00 H new ATOM 0 HD11 ILE A 121 12.153 21.530 14.085 1.00 0.00 H new ATOM 0 HD12 ILE A 121 13.024 20.092 13.502 1.00 0.00 H new ATOM 0 HD13 ILE A 121 12.046 19.999 14.986 1.00 0.00 H new ATOM 1916 N ILE A 122 16.587 17.171 14.358 1.00 0.00 N ATOM 1917 CA ILE A 122 17.406 15.979 14.568 1.00 0.00 C ATOM 1918 C ILE A 122 18.799 16.312 14.016 1.00 0.00 C ATOM 1919 O ILE A 122 19.788 16.093 14.708 1.00 0.00 O ATOM 1920 CB ILE A 122 16.782 14.723 13.913 1.00 0.00 C ATOM 1921 CG1 ILE A 122 15.352 14.419 14.425 1.00 0.00 C ATOM 1922 CG2 ILE A 122 17.683 13.488 14.092 1.00 0.00 C ATOM 1923 CD1 ILE A 122 15.227 14.137 15.921 1.00 0.00 C ATOM 0 H ILE A 122 15.910 17.089 13.600 1.00 0.00 H new ATOM 0 HA ILE A 122 17.470 15.726 15.626 1.00 0.00 H new ATOM 0 HB ILE A 122 16.702 14.952 12.850 1.00 0.00 H new ATOM 0 HG12 ILE A 122 14.711 15.266 14.179 1.00 0.00 H new ATOM 0 HG13 ILE A 122 14.966 13.558 13.879 1.00 0.00 H new ATOM 0 HG21 ILE A 122 17.214 12.624 13.620 1.00 0.00 H new ATOM 0 HG22 ILE A 122 18.652 13.674 13.628 1.00 0.00 H new ATOM 0 HG23 ILE A 122 17.822 13.290 15.155 1.00 0.00 H new ATOM 0 HD11 ILE A 122 14.184 13.938 16.168 1.00 0.00 H new ATOM 0 HD12 ILE A 122 15.833 13.269 16.180 1.00 0.00 H new ATOM 0 HD13 ILE A 122 15.574 15.003 16.485 1.00 0.00 H new ATOM 1935 N ALA A 123 18.860 16.889 12.807 1.00 0.00 N ATOM 1936 CA ALA A 123 20.058 17.323 12.101 1.00 0.00 C ATOM 1937 C ALA A 123 20.740 18.515 12.770 1.00 0.00 C ATOM 1938 O ALA A 123 21.917 18.768 12.520 1.00 0.00 O ATOM 1939 CB ALA A 123 19.670 17.738 10.674 1.00 0.00 C ATOM 0 H ALA A 123 18.014 17.074 12.267 1.00 0.00 H new ATOM 0 HA ALA A 123 20.757 16.486 12.108 1.00 0.00 H new ATOM 0 HB1 ALA A 123 20.560 18.065 10.136 1.00 0.00 H new ATOM 0 HB2 ALA A 123 19.224 16.888 10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 123 18.950 18.555 10.716 1.00 0.00 H new ATOM 1945 N ASP A 124 20.003 19.301 13.555 1.00 0.00 N ATOM 1946 CA ASP A 124 20.528 20.415 14.348 1.00 0.00 C ATOM 1947 C ASP A 124 21.676 19.912 15.227 1.00 0.00 C ATOM 1948 O ASP A 124 22.734 20.535 15.299 1.00 0.00 O ATOM 1949 CB ASP A 124 19.368 20.995 15.168 1.00 0.00 C ATOM 1950 CG ASP A 124 19.751 22.048 16.200 1.00 0.00 C ATOM 1951 OD1 ASP A 124 20.542 21.757 17.121 1.00 0.00 O ATOM 1952 OD2 ASP A 124 19.154 23.148 16.198 1.00 0.00 O ATOM 0 H ASP A 124 18.996 19.178 13.660 1.00 0.00 H new ATOM 0 HA ASP A 124 20.933 21.206 13.717 1.00 0.00 H new ATOM 0 HB2 ASP A 124 18.644 21.433 14.480 1.00 0.00 H new ATOM 0 HB3 ASP A 124 18.865 20.176 15.681 1.00 0.00 H new ATOM 1957 N ASN A 125 21.491 18.732 15.819 1.00 0.00 N ATOM 1958 CA ASN A 125 22.460 17.985 16.599 1.00 0.00 C ATOM 1959 C ASN A 125 22.676 16.649 15.886 1.00 0.00 C ATOM 1960 O ASN A 125 22.524 16.561 14.670 1.00 0.00 O ATOM 1961 CB ASN A 125 21.969 17.872 18.056 1.00 0.00 C ATOM 1962 CG ASN A 125 20.573 17.278 18.278 1.00 0.00 C ATOM 1963 OD1 ASN A 125 20.135 16.261 17.551 1.00 0.00 O flip ATOM 1964 ND2 ASN A 125 19.848 17.758 19.144 1.00 0.00 N flip ATOM 0 H ASN A 125 20.597 18.245 15.758 1.00 0.00 H new ATOM 0 HA ASN A 125 23.429 18.480 16.666 1.00 0.00 H new ATOM 0 HB2 ASN A 125 22.687 17.266 18.609 1.00 0.00 H new ATOM 0 HB3 ASN A 125 21.987 18.868 18.497 1.00 0.00 H new ATOM 0 HD21 ASN A 125 20.177 18.541 19.708 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.916 17.374 19.299 1.00 0.00 H new ATOM 1971 N ASN A 126 23.093 15.610 16.602 1.00 0.00 N ATOM 1972 CA ASN A 126 23.209 14.251 16.092 1.00 0.00 C ATOM 1973 C ASN A 126 23.335 13.348 17.303 1.00 0.00 C ATOM 1974 O ASN A 126 24.188 13.606 18.150 1.00 0.00 O ATOM 1975 CB ASN A 126 24.435 14.033 15.189 1.00 0.00 C ATOM 1976 CG ASN A 126 24.219 12.792 14.328 1.00 0.00 C ATOM 1977 OD1 ASN A 126 23.821 12.918 13.177 1.00 0.00 O ATOM 1978 ND2 ASN A 126 24.398 11.584 14.843 1.00 0.00 N ATOM 0 H ASN A 126 23.367 15.694 17.581 1.00 0.00 H new ATOM 0 HA ASN A 126 22.334 14.037 15.478 1.00 0.00 H new ATOM 0 HB2 ASN A 126 24.593 14.906 14.555 1.00 0.00 H new ATOM 0 HB3 ASN A 126 25.332 13.915 15.797 1.00 0.00 H new ATOM 0 HD21 ASN A 126 24.204 10.756 14.280 1.00 0.00 H new ATOM 0 HD22 ASN A 126 24.730 11.483 15.802 1.00 0.00 H new ATOM 1985 N ILE A 127 22.492 12.330 17.408 1.00 0.00 N ATOM 1986 CA ILE A 127 22.578 11.307 18.433 1.00 0.00 C ATOM 1987 C ILE A 127 22.599 10.006 17.636 1.00 0.00 C ATOM 1988 O ILE A 127 23.677 9.497 17.344 1.00 0.00 O ATOM 1989 CB ILE A 127 21.514 11.477 19.554 1.00 0.00 C ATOM 1990 CG1 ILE A 127 20.005 11.372 19.215 1.00 0.00 C ATOM 1991 CG2 ILE A 127 21.767 12.798 20.309 1.00 0.00 C ATOM 1992 CD1 ILE A 127 19.480 12.258 18.077 1.00 0.00 C ATOM 0 H ILE A 127 21.712 12.192 16.766 1.00 0.00 H new ATOM 0 HA ILE A 127 23.472 11.354 19.055 1.00 0.00 H new ATOM 0 HB ILE A 127 21.679 10.579 20.149 1.00 0.00 H new ATOM 0 HG12 ILE A 127 19.786 10.334 18.964 1.00 0.00 H new ATOM 0 HG13 ILE A 127 19.439 11.608 20.116 1.00 0.00 H new ATOM 0 HG21 ILE A 127 21.021 12.917 21.095 1.00 0.00 H new ATOM 0 HG22 ILE A 127 22.762 12.778 20.754 1.00 0.00 H new ATOM 0 HG23 ILE A 127 21.697 13.634 19.613 1.00 0.00 H new ATOM 0 HD11 ILE A 127 18.412 12.086 17.945 1.00 0.00 H new ATOM 0 HD12 ILE A 127 19.651 13.306 18.323 1.00 0.00 H new ATOM 0 HD13 ILE A 127 20.004 12.012 17.153 1.00 0.00 H new ATOM 2004 N GLN A 128 21.435 9.561 17.175 1.00 0.00 N ATOM 2005 CA GLN A 128 21.167 8.437 16.295 1.00 0.00 C ATOM 2006 C GLN A 128 19.679 8.520 15.971 1.00 0.00 C ATOM 2007 O GLN A 128 19.216 7.850 15.025 1.00 0.00 O ATOM 2008 CB GLN A 128 21.548 7.099 16.962 1.00 0.00 C ATOM 2009 CG GLN A 128 21.514 5.942 15.954 1.00 0.00 C ATOM 2010 CD GLN A 128 22.171 4.663 16.466 1.00 0.00 C ATOM 2011 OE1 GLN A 128 23.094 4.138 15.841 1.00 0.00 O ATOM 2012 NE2 GLN A 128 21.695 4.103 17.563 1.00 0.00 N ATOM 2013 OXT GLN A 128 18.946 9.266 16.658 1.00 0.00 O ATOM 0 H GLN A 128 20.568 10.030 17.438 1.00 0.00 H new ATOM 0 HA GLN A 128 21.766 8.480 15.386 1.00 0.00 H new ATOM 0 HB2 GLN A 128 22.545 7.177 17.395 1.00 0.00 H new ATOM 0 HB3 GLN A 128 20.860 6.890 17.781 1.00 0.00 H new ATOM 0 HG2 GLN A 128 20.477 5.728 15.694 1.00 0.00 H new ATOM 0 HG3 GLN A 128 22.014 6.255 15.038 1.00 0.00 H new ATOM 0 HE21 GLN A 128 20.931 4.547 18.072 1.00 0.00 H new ATOM 0 HE22 GLN A 128 22.092 3.226 17.901 1.00 0.00 H new TER 2022 GLN A 128