USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 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 NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 27 GLN : amide:sc= -4.13 K(o=-33,f=-40!) USER MOD Set 1.2: A 79 HIS : no HD1:sc= -28.6! C(o=-33!,f=-34!) USER MOD Set 1.3: A 89 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= -0.556! USER MOD Set 2.2: A 55 SER OG : rot 180:sc= 0.187 USER MOD Set 3.1: A 13 GLN : amide:sc= -7.24! C(o=-11!,f=-5.8!) USER MOD Set 3.2: A 29 MET CE :methyl -156:sc= -3.68! (180deg=-1.78) USER MOD Single : A 1 ALA N :NH3+ 140:sc= -3.51! (180deg=-7.27!) USER MOD Single : A 5 GLN : amide:sc= -4.11! C(o=-4.1!,f=-3.3!) USER MOD Single : A 11 THR OG1 : rot -109:sc= -0.332! USER MOD Single : A 15 ASN : amide:sc= -15.6! C(o=-16!,f=-10!) USER MOD Single : A 19 SER OG : rot 45:sc= 0.306 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot -29:sc= 1.54! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -91:sc= -0.449! USER MOD Single : A 43 SER OG : rot 79:sc= 0.527 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 92:sc= -0.567! USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.016) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.223 K(o=-0.22,f=-4.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -2.28! USER MOD Single : A 71 MET CE :methyl -177:sc= -4.53! (180deg=-4.81!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -44:sc= -1.35! USER MOD Single : A 83 HIS : no HD1:sc= -0.77 X(o=-0.77,f=-0.59) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 27:sc= 0.268 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.8!) USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= -0.0465 (180deg=-0.301) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A1052 NAG O3 : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot -34:sc= 0.014 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot 160:sc= 0 USER MOD Single : A1078 NAG O6 : rot 29:sc= 0.0191 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.122 5.055 18.784 1.00 0.00 N ATOM 2 CA ALA A 1 3.257 5.315 17.604 1.00 0.00 C ATOM 3 C ALA A 1 1.870 5.778 18.035 1.00 0.00 C ATOM 4 O ALA A 1 0.856 5.257 17.569 1.00 0.00 O ATOM 5 CB ALA A 1 3.150 4.065 16.742 1.00 0.00 C ATOM 0 H1 ALA A 1 4.692 4.202 18.615 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.752 5.868 18.938 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.528 4.913 19.626 1.00 0.00 H new ATOM 0 HA ALA A 1 3.715 6.111 17.017 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.513 4.270 15.881 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.143 3.774 16.398 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.717 3.255 17.328 1.00 0.00 H new ATOM 13 N PRO A 2 1.812 6.770 18.934 1.00 0.00 N ATOM 14 CA PRO A 2 0.552 7.314 19.437 1.00 0.00 C ATOM 15 C PRO A 2 -0.058 8.333 18.481 1.00 0.00 C ATOM 16 O PRO A 2 0.319 8.403 17.311 1.00 0.00 O ATOM 17 CB PRO A 2 0.976 7.986 20.740 1.00 0.00 C ATOM 18 CG PRO A 2 2.369 8.446 20.481 1.00 0.00 C ATOM 19 CD PRO A 2 2.979 7.443 19.534 1.00 0.00 C ATOM 0 HA PRO A 2 -0.216 6.550 19.559 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.321 8.821 20.988 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.936 7.290 21.578 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.373 9.445 20.045 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.939 8.501 21.409 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.593 7.930 18.776 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.622 6.737 20.059 1.00 0.00 H new ATOM 27 N ASP A 3 -0.999 9.123 18.987 1.00 0.00 N ATOM 28 CA ASP A 3 -1.657 10.142 18.177 1.00 0.00 C ATOM 29 C ASP A 3 -1.842 9.664 16.740 1.00 0.00 C ATOM 30 O ASP A 3 -0.939 9.789 15.913 1.00 0.00 O ATOM 31 CB ASP A 3 -0.843 11.436 18.199 1.00 0.00 C ATOM 32 CG ASP A 3 -0.995 12.192 19.504 1.00 0.00 C ATOM 33 OD1 ASP A 3 -1.928 11.871 20.270 1.00 0.00 O ATOM 34 OD2 ASP A 3 -0.181 13.103 19.762 1.00 0.00 O ATOM 0 H ASP A 3 -1.323 9.077 19.953 1.00 0.00 H new ATOM 0 HA ASP A 3 -2.643 10.331 18.602 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.209 11.203 18.038 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.158 12.074 17.374 1.00 0.00 H new ATOM 39 N VAL A 4 -3.018 9.116 16.451 1.00 0.00 N ATOM 40 CA VAL A 4 -3.323 8.620 15.114 1.00 0.00 C ATOM 41 C VAL A 4 -4.206 9.604 14.351 1.00 0.00 C ATOM 42 O VAL A 4 -4.326 10.767 14.734 1.00 0.00 O ATOM 43 CB VAL A 4 -4.021 7.244 15.173 1.00 0.00 C ATOM 44 CG1 VAL A 4 -5.535 7.400 15.191 1.00 0.00 C ATOM 45 CG2 VAL A 4 -3.584 6.373 14.004 1.00 0.00 C ATOM 0 H VAL A 4 -3.775 9.004 17.125 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.374 8.512 14.588 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.723 6.753 16.099 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.002 6.416 15.233 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -5.831 7.979 16.066 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.858 7.917 14.287 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.086 5.407 14.062 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.847 6.863 13.067 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.505 6.224 14.045 1.00 0.00 H new ATOM 55 N GLN A 5 -4.819 9.127 13.271 1.00 0.00 N ATOM 56 CA GLN A 5 -5.697 9.957 12.447 1.00 0.00 C ATOM 57 C GLN A 5 -4.928 10.603 11.299 1.00 0.00 C ATOM 58 O GLN A 5 -4.493 11.750 11.398 1.00 0.00 O ATOM 59 CB GLN A 5 -6.368 11.040 13.293 1.00 0.00 C ATOM 60 CG GLN A 5 -7.565 11.683 12.612 1.00 0.00 C ATOM 61 CD GLN A 5 -7.193 12.385 11.320 1.00 0.00 C ATOM 62 OE1 GLN A 5 -6.885 13.577 11.314 1.00 0.00 O ATOM 63 NE2 GLN A 5 -7.218 11.647 10.216 1.00 0.00 N ATOM 0 H GLN A 5 -4.724 8.166 12.944 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.465 9.307 12.027 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.688 10.605 14.240 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.636 11.812 13.529 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.314 10.919 12.403 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.023 12.401 13.292 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.479 10.662 10.267 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.976 12.065 9.318 1.00 0.00 H new ATOM 72 N ASP A 6 -4.772 9.859 10.210 1.00 0.00 N ATOM 73 CA ASP A 6 -4.063 10.357 9.036 1.00 0.00 C ATOM 74 C ASP A 6 -3.897 9.251 7.997 1.00 0.00 C ATOM 75 O ASP A 6 -4.538 8.204 8.086 1.00 0.00 O ATOM 76 CB ASP A 6 -2.695 10.914 9.436 1.00 0.00 C ATOM 77 CG ASP A 6 -2.600 12.413 9.229 1.00 0.00 C ATOM 78 OD1 ASP A 6 -2.545 12.848 8.060 1.00 0.00 O ATOM 79 OD2 ASP A 6 -2.582 13.151 10.236 1.00 0.00 O ATOM 0 H ASP A 6 -5.127 8.908 10.115 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.654 11.160 8.595 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.503 10.681 10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.919 10.419 8.852 1.00 0.00 H new ATOM 84 N CYS A 7 -3.037 9.488 7.011 1.00 0.00 N ATOM 85 CA CYS A 7 -2.795 8.509 5.956 1.00 0.00 C ATOM 86 C CYS A 7 -1.834 9.060 4.905 1.00 0.00 C ATOM 87 O CYS A 7 -2.168 9.987 4.169 1.00 0.00 O ATOM 88 CB CYS A 7 -4.116 8.108 5.295 1.00 0.00 C ATOM 89 SG CYS A 7 -3.920 7.057 3.820 1.00 0.00 S ATOM 0 H CYS A 7 -2.497 10.348 6.920 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.338 7.629 6.410 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.730 7.580 6.025 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.659 9.011 5.015 1.00 0.00 H new ATOM 94 N PRO A 8 -0.617 8.497 4.834 1.00 0.00 N ATOM 95 CA PRO A 8 0.408 8.935 3.882 1.00 0.00 C ATOM 96 C PRO A 8 0.186 8.410 2.463 1.00 0.00 C ATOM 97 O PRO A 8 1.122 8.344 1.666 1.00 0.00 O ATOM 98 CB PRO A 8 1.693 8.359 4.472 1.00 0.00 C ATOM 99 CG PRO A 8 1.261 7.135 5.204 1.00 0.00 C ATOM 100 CD PRO A 8 -0.141 7.398 5.693 1.00 0.00 C ATOM 0 HA PRO A 8 0.411 10.019 3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.414 8.119 3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.175 9.071 5.142 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.286 6.263 4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.930 6.927 6.039 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.770 6.514 5.595 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.150 7.681 6.746 1.00 0.00 H new ATOM 108 N GLU A 9 -1.054 8.055 2.146 1.00 0.00 N ATOM 109 CA GLU A 9 -1.392 7.559 0.816 1.00 0.00 C ATOM 110 C GLU A 9 -0.526 6.371 0.413 1.00 0.00 C ATOM 111 O GLU A 9 0.417 6.002 1.115 1.00 0.00 O ATOM 112 CB GLU A 9 -1.237 8.682 -0.212 1.00 0.00 C ATOM 113 CG GLU A 9 -1.932 8.403 -1.534 1.00 0.00 C ATOM 114 CD GLU A 9 -2.065 9.644 -2.392 1.00 0.00 C ATOM 115 OE1 GLU A 9 -2.599 10.657 -1.893 1.00 0.00 O ATOM 116 OE2 GLU A 9 -1.633 9.605 -3.563 1.00 0.00 O ATOM 0 H GLU A 9 -1.842 8.101 2.792 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.428 7.221 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.635 9.605 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.176 8.848 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.373 7.645 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.922 7.991 -1.340 1.00 0.00 H new ATOM 123 N CYS A 10 -0.869 5.779 -0.727 1.00 0.00 N ATOM 124 CA CYS A 10 -0.149 4.626 -1.256 1.00 0.00 C ATOM 125 C CYS A 10 0.859 5.055 -2.325 1.00 0.00 C ATOM 126 O CYS A 10 0.565 5.903 -3.167 1.00 0.00 O ATOM 127 CB CYS A 10 -1.153 3.618 -1.837 1.00 0.00 C ATOM 128 SG CYS A 10 -0.721 2.960 -3.481 1.00 0.00 S ATOM 0 H CYS A 10 -1.650 6.083 -1.308 1.00 0.00 H new ATOM 0 HA CYS A 10 0.406 4.155 -0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.250 2.784 -1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.130 4.096 -1.899 1.00 0.00 H new ATOM 133 N THR A 11 2.046 4.457 -2.284 1.00 0.00 N ATOM 134 CA THR A 11 3.102 4.764 -3.246 1.00 0.00 C ATOM 135 C THR A 11 4.394 4.066 -2.848 1.00 0.00 C ATOM 136 O THR A 11 4.376 3.132 -2.051 1.00 0.00 O ATOM 137 CB THR A 11 3.331 6.272 -3.343 1.00 0.00 C ATOM 138 OG1 THR A 11 4.538 6.555 -4.029 1.00 0.00 O ATOM 139 CG2 THR A 11 3.400 6.952 -1.995 1.00 0.00 C ATOM 0 H THR A 11 2.302 3.753 -1.591 1.00 0.00 H new ATOM 0 HA THR A 11 2.786 4.401 -4.224 1.00 0.00 H new ATOM 0 HB THR A 11 2.469 6.660 -3.886 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.201 6.899 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.564 8.021 -2.134 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.463 6.795 -1.460 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.223 6.531 -1.417 1.00 0.00 H new ATOM 147 N LEU A 12 5.513 4.522 -3.401 1.00 0.00 N ATOM 148 CA LEU A 12 6.808 3.926 -3.092 1.00 0.00 C ATOM 149 C LEU A 12 7.620 4.807 -2.171 1.00 0.00 C ATOM 150 O LEU A 12 7.717 6.019 -2.368 1.00 0.00 O ATOM 151 CB LEU A 12 7.589 3.635 -4.366 1.00 0.00 C ATOM 152 CG LEU A 12 7.202 2.332 -5.060 1.00 0.00 C ATOM 153 CD1 LEU A 12 5.719 2.061 -4.889 1.00 0.00 C ATOM 154 CD2 LEU A 12 7.570 2.401 -6.528 1.00 0.00 C ATOM 0 H LEU A 12 5.550 5.298 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 12 6.617 2.985 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.444 4.460 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.652 3.603 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 12 7.751 1.509 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.459 1.128 -5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.484 1.981 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.147 2.879 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.291 1.468 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.040 3.230 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.644 2.555 -6.627 1.00 0.00 H new ATOM 166 N GLN A 13 8.201 4.187 -1.156 1.00 0.00 N ATOM 167 CA GLN A 13 9.002 4.917 -0.197 1.00 0.00 C ATOM 168 C GLN A 13 10.471 4.765 -0.481 1.00 0.00 C ATOM 169 O GLN A 13 11.266 4.452 0.404 1.00 0.00 O ATOM 170 CB GLN A 13 8.711 4.458 1.209 1.00 0.00 C ATOM 171 CG GLN A 13 7.258 4.619 1.610 1.00 0.00 C ATOM 172 CD GLN A 13 7.075 4.734 3.111 1.00 0.00 C ATOM 173 OE1 GLN A 13 7.569 3.903 3.873 1.00 0.00 O ATOM 174 NE2 GLN A 13 6.367 5.770 3.545 1.00 0.00 N ATOM 0 H GLN A 13 8.131 3.185 -0.979 1.00 0.00 H new ATOM 0 HA GLN A 13 8.736 5.970 -0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.992 3.409 1.306 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.336 5.021 1.903 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.849 5.507 1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.687 3.766 1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.975 6.435 2.878 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.215 5.901 4.545 1.00 0.00 H new ATOM 183 N GLU A 14 10.798 4.987 -1.727 1.00 0.00 N ATOM 184 CA GLU A 14 12.169 4.888 -2.211 1.00 0.00 C ATOM 185 C GLU A 14 13.115 4.544 -1.086 1.00 0.00 C ATOM 186 O GLU A 14 13.281 5.290 -0.122 1.00 0.00 O ATOM 187 CB GLU A 14 12.625 6.175 -2.872 1.00 0.00 C ATOM 188 CG GLU A 14 13.745 5.980 -3.885 1.00 0.00 C ATOM 189 CD GLU A 14 13.886 7.169 -4.817 1.00 0.00 C ATOM 190 OE1 GLU A 14 13.053 7.304 -5.737 1.00 0.00 O ATOM 191 OE2 GLU A 14 14.830 7.964 -4.625 1.00 0.00 O ATOM 0 H GLU A 14 10.123 5.244 -2.447 1.00 0.00 H new ATOM 0 HA GLU A 14 12.185 4.091 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.773 6.639 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.961 6.869 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.686 5.820 -3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.551 5.082 -4.471 1.00 0.00 H new ATOM 198 N ASN A 15 13.715 3.400 -1.234 1.00 0.00 N ATOM 199 CA ASN A 15 14.647 2.877 -0.265 1.00 0.00 C ATOM 200 C ASN A 15 15.828 3.812 -0.055 1.00 0.00 C ATOM 201 O ASN A 15 16.713 3.910 -0.905 1.00 0.00 O ATOM 202 CB ASN A 15 15.129 1.522 -0.729 1.00 0.00 C ATOM 203 CG ASN A 15 15.206 0.514 0.389 1.00 0.00 C ATOM 204 OD1 ASN A 15 15.076 0.851 1.566 1.00 0.00 O ATOM 205 ND2 ASN A 15 15.418 -0.733 0.014 1.00 0.00 N ATOM 0 H ASN A 15 13.572 2.792 -2.040 1.00 0.00 H new ATOM 0 HA ASN A 15 14.135 2.785 0.693 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.458 1.149 -1.503 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.114 1.628 -1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.481 -1.472 0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.519 -0.958 -0.976 1.00 0.00 H new ATOM 212 N PRO A 16 15.868 4.500 1.095 1.00 0.00 N ATOM 213 CA PRO A 16 16.957 5.413 1.427 1.00 0.00 C ATOM 214 C PRO A 16 18.162 4.656 1.960 1.00 0.00 C ATOM 215 O PRO A 16 18.977 5.192 2.711 1.00 0.00 O ATOM 216 CB PRO A 16 16.345 6.290 2.514 1.00 0.00 C ATOM 217 CG PRO A 16 15.375 5.395 3.211 1.00 0.00 C ATOM 218 CD PRO A 16 14.864 4.425 2.172 1.00 0.00 C ATOM 0 HA PRO A 16 17.321 5.977 0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 16 17.106 6.662 3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 16 15.847 7.161 2.088 1.00 0.00 H new ATOM 0 HG2 PRO A 16 15.857 4.865 4.033 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.555 5.971 3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.783 3.415 2.574 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.873 4.706 1.815 1.00 0.00 H new ATOM 226 N PHE A 17 18.252 3.397 1.560 1.00 0.00 N ATOM 227 CA PHE A 17 19.331 2.522 1.975 1.00 0.00 C ATOM 228 C PHE A 17 20.126 2.056 0.774 1.00 0.00 C ATOM 229 O PHE A 17 21.312 2.351 0.631 1.00 0.00 O ATOM 230 CB PHE A 17 18.756 1.300 2.678 1.00 0.00 C ATOM 231 CG PHE A 17 19.692 0.702 3.674 1.00 0.00 C ATOM 232 CD1 PHE A 17 20.039 1.406 4.808 1.00 0.00 C ATOM 233 CD2 PHE A 17 20.230 -0.557 3.470 1.00 0.00 C ATOM 234 CE1 PHE A 17 20.911 0.868 5.734 1.00 0.00 C ATOM 235 CE2 PHE A 17 21.103 -1.105 4.392 1.00 0.00 C ATOM 236 CZ PHE A 17 21.444 -0.390 5.526 1.00 0.00 C ATOM 0 H PHE A 17 17.576 2.955 0.937 1.00 0.00 H new ATOM 0 HA PHE A 17 19.983 3.076 2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 17 17.830 1.580 3.181 1.00 0.00 H new ATOM 0 HB3 PHE A 17 18.499 0.547 1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 17 19.624 2.389 4.974 1.00 0.00 H new ATOM 0 HD2 PHE A 17 19.966 -1.116 2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 17 21.176 1.429 6.618 1.00 0.00 H new ATOM 0 HE2 PHE A 17 21.517 -2.089 4.227 1.00 0.00 H new ATOM 0 HZ PHE A 17 22.126 -0.814 6.248 1.00 0.00 H new ATOM 246 N PHE A 18 19.444 1.317 -0.081 1.00 0.00 N ATOM 247 CA PHE A 18 20.043 0.778 -1.286 1.00 0.00 C ATOM 248 C PHE A 18 20.432 1.897 -2.236 1.00 0.00 C ATOM 249 O PHE A 18 21.297 1.725 -3.094 1.00 0.00 O ATOM 250 CB PHE A 18 19.061 -0.169 -1.964 1.00 0.00 C ATOM 251 CG PHE A 18 19.631 -0.873 -3.156 1.00 0.00 C ATOM 252 CD1 PHE A 18 20.018 -0.161 -4.277 1.00 0.00 C ATOM 253 CD2 PHE A 18 19.777 -2.249 -3.154 1.00 0.00 C ATOM 254 CE1 PHE A 18 20.543 -0.809 -5.379 1.00 0.00 C ATOM 255 CE2 PHE A 18 20.302 -2.905 -4.251 1.00 0.00 C ATOM 256 CZ PHE A 18 20.686 -2.183 -5.365 1.00 0.00 C ATOM 0 H PHE A 18 18.461 1.074 0.041 1.00 0.00 H new ATOM 0 HA PHE A 18 20.946 0.230 -1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 18 18.727 -0.912 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 18 18.180 0.394 -2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 18 19.909 0.913 -4.291 1.00 0.00 H new ATOM 0 HD2 PHE A 18 19.477 -2.817 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 18 20.841 -0.243 -6.249 1.00 0.00 H new ATOM 0 HE2 PHE A 18 20.412 -3.979 -4.238 1.00 0.00 H new ATOM 0 HZ PHE A 18 21.097 -2.692 -6.224 1.00 0.00 H new ATOM 266 N SER A 19 19.787 3.048 -2.074 1.00 0.00 N ATOM 267 CA SER A 19 20.068 4.196 -2.920 1.00 0.00 C ATOM 268 C SER A 19 21.537 4.220 -3.313 1.00 0.00 C ATOM 269 O SER A 19 22.405 4.576 -2.515 1.00 0.00 O ATOM 270 CB SER A 19 19.692 5.493 -2.211 1.00 0.00 C ATOM 271 OG SER A 19 20.261 5.554 -0.915 1.00 0.00 O ATOM 0 H SER A 19 19.069 3.207 -1.367 1.00 0.00 H new ATOM 0 HA SER A 19 19.465 4.109 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 19 20.032 6.344 -2.801 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.607 5.569 -2.138 1.00 0.00 H new ATOM 0 HG SER A 19 21.197 5.265 -0.955 1.00 0.00 H new ATOM 277 N GLN A 20 21.801 3.829 -4.547 1.00 0.00 N ATOM 278 CA GLN A 20 23.161 3.787 -5.067 1.00 0.00 C ATOM 279 C GLN A 20 23.382 4.896 -6.083 1.00 0.00 C ATOM 280 O GLN A 20 22.449 5.613 -6.445 1.00 0.00 O ATOM 281 CB GLN A 20 23.432 2.430 -5.718 1.00 0.00 C ATOM 282 CG GLN A 20 24.023 1.404 -4.767 1.00 0.00 C ATOM 283 CD GLN A 20 25.264 0.736 -5.328 1.00 0.00 C ATOM 284 OE1 GLN A 20 26.385 1.042 -4.924 1.00 0.00 O ATOM 285 NE2 GLN A 20 25.067 -0.179 -6.270 1.00 0.00 N ATOM 0 H GLN A 20 21.088 3.534 -5.214 1.00 0.00 H new ATOM 0 HA GLN A 20 23.850 3.933 -4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 20 22.499 2.040 -6.126 1.00 0.00 H new ATOM 0 HB3 GLN A 20 24.113 2.569 -6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 20 24.271 1.889 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 20 23.274 0.644 -4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 20 24.119 -0.401 -6.575 1.00 0.00 H new ATOM 0 HE22 GLN A 20 25.863 -0.659 -6.689 1.00 0.00 H new ATOM 294 N PRO A 21 24.623 5.045 -6.566 1.00 0.00 N ATOM 295 CA PRO A 21 24.964 6.064 -7.559 1.00 0.00 C ATOM 296 C PRO A 21 24.215 5.835 -8.866 1.00 0.00 C ATOM 297 O PRO A 21 24.822 5.643 -9.920 1.00 0.00 O ATOM 298 CB PRO A 21 26.477 5.890 -7.765 1.00 0.00 C ATOM 299 CG PRO A 21 26.944 5.095 -6.591 1.00 0.00 C ATOM 300 CD PRO A 21 25.786 4.228 -6.191 1.00 0.00 C ATOM 0 HA PRO A 21 24.692 7.068 -7.232 1.00 0.00 H new ATOM 0 HB2 PRO A 21 26.690 5.373 -8.700 1.00 0.00 H new ATOM 0 HB3 PRO A 21 26.981 6.855 -7.813 1.00 0.00 H new ATOM 0 HG2 PRO A 21 27.813 4.490 -6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 21 27.243 5.748 -5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 21 25.796 3.273 -6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 21 25.797 4.005 -5.124 1.00 0.00 H new ATOM 308 N GLY A 22 22.889 5.848 -8.781 1.00 0.00 N ATOM 309 CA GLY A 22 22.063 5.634 -9.953 1.00 0.00 C ATOM 310 C GLY A 22 20.971 4.604 -9.725 1.00 0.00 C ATOM 311 O GLY A 22 20.489 3.988 -10.676 1.00 0.00 O ATOM 0 H GLY A 22 22.370 6.004 -7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 22 21.608 6.579 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.693 5.311 -10.782 1.00 0.00 H new ATOM 315 N ALA A 23 20.577 4.410 -8.466 1.00 0.00 N ATOM 316 CA ALA A 23 19.535 3.441 -8.142 1.00 0.00 C ATOM 317 C ALA A 23 18.997 3.630 -6.737 1.00 0.00 C ATOM 318 O ALA A 23 19.617 3.249 -5.745 1.00 0.00 O ATOM 319 CB ALA A 23 20.055 2.026 -8.335 1.00 0.00 C ATOM 0 H ALA A 23 20.961 4.907 -7.662 1.00 0.00 H new ATOM 0 HA ALA A 23 18.704 3.610 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 23 19.268 1.313 -8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 23 20.359 1.889 -9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 23 20.911 1.861 -7.681 1.00 0.00 H new ATOM 325 N PRO A 24 17.823 4.251 -6.668 1.00 0.00 N ATOM 326 CA PRO A 24 17.119 4.563 -5.444 1.00 0.00 C ATOM 327 C PRO A 24 15.942 3.630 -5.179 1.00 0.00 C ATOM 328 O PRO A 24 14.800 3.934 -5.516 1.00 0.00 O ATOM 329 CB PRO A 24 16.638 5.967 -5.771 1.00 0.00 C ATOM 330 CG PRO A 24 16.370 5.951 -7.252 1.00 0.00 C ATOM 331 CD PRO A 24 17.073 4.748 -7.816 1.00 0.00 C ATOM 0 HA PRO A 24 17.728 4.465 -4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.738 6.217 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 24 17.391 6.712 -5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.299 5.899 -7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 24 16.736 6.865 -7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.369 4.006 -8.192 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.729 5.013 -8.645 1.00 0.00 H new ATOM 339 N ILE A 25 16.253 2.491 -4.587 1.00 0.00 N ATOM 340 CA ILE A 25 15.290 1.463 -4.257 1.00 0.00 C ATOM 341 C ILE A 25 13.994 1.983 -3.651 1.00 0.00 C ATOM 342 O ILE A 25 13.748 3.186 -3.627 1.00 0.00 O ATOM 343 CB ILE A 25 15.971 0.455 -3.341 1.00 0.00 C ATOM 344 CG1 ILE A 25 17.072 -0.181 -4.137 1.00 0.00 C ATOM 345 CG2 ILE A 25 14.998 -0.602 -2.885 1.00 0.00 C ATOM 346 CD1 ILE A 25 16.562 -0.638 -5.477 1.00 0.00 C ATOM 0 H ILE A 25 17.207 2.252 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 25 14.974 0.992 -5.188 1.00 0.00 H new ATOM 0 HB ILE A 25 16.356 0.952 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 25 17.886 0.531 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 25 17.481 -1.030 -3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.509 -1.310 -2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.179 -0.132 -2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.601 -1.130 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 25 17.376 -1.096 -6.039 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.764 -1.367 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 25 16.176 0.218 -6.031 1.00 0.00 H new ATOM 358 N LEU A 26 13.123 1.047 -3.247 1.00 0.00 N ATOM 359 CA LEU A 26 11.804 1.389 -2.743 1.00 0.00 C ATOM 360 C LEU A 26 11.211 0.375 -1.803 1.00 0.00 C ATOM 361 O LEU A 26 11.890 -0.475 -1.234 1.00 0.00 O ATOM 362 CB LEU A 26 10.908 1.466 -3.941 1.00 0.00 C ATOM 363 CG LEU A 26 11.692 1.426 -5.221 1.00 0.00 C ATOM 364 CD1 LEU A 26 10.874 0.810 -6.332 1.00 0.00 C ATOM 365 CD2 LEU A 26 12.167 2.817 -5.595 1.00 0.00 C ATOM 0 H LEU A 26 13.318 0.046 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 26 11.895 2.317 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.201 0.637 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.323 2.385 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 26 12.570 0.799 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.462 0.791 -7.250 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.597 -0.208 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.972 1.401 -6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.734 2.770 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.306 3.472 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.803 3.210 -4.802 1.00 0.00 H new ATOM 377 N GLN A 27 9.903 0.498 -1.679 1.00 0.00 N ATOM 378 CA GLN A 27 9.110 -0.383 -0.833 1.00 0.00 C ATOM 379 C GLN A 27 7.682 0.144 -0.674 1.00 0.00 C ATOM 380 O GLN A 27 7.239 0.445 0.434 1.00 0.00 O ATOM 381 CB GLN A 27 9.782 -0.535 0.527 1.00 0.00 C ATOM 382 CG GLN A 27 9.511 -1.869 1.203 1.00 0.00 C ATOM 383 CD GLN A 27 8.066 -2.310 1.078 1.00 0.00 C ATOM 384 OE1 GLN A 27 7.562 -2.524 -0.024 1.00 0.00 O ATOM 385 NE2 GLN A 27 7.392 -2.450 2.214 1.00 0.00 N ATOM 0 H GLN A 27 9.357 1.212 -2.161 1.00 0.00 H new ATOM 0 HA GLN A 27 9.050 -1.361 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.858 -0.413 0.405 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.442 0.268 1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.157 -2.630 0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.773 -1.796 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.850 -2.262 3.106 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.416 -2.746 2.195 1.00 0.00 H new ATOM 394 N CYS A 28 6.976 0.253 -1.801 1.00 0.00 N ATOM 395 CA CYS A 28 5.594 0.743 -1.831 1.00 0.00 C ATOM 396 C CYS A 28 4.980 0.835 -0.436 1.00 0.00 C ATOM 397 O CYS A 28 4.699 -0.181 0.200 1.00 0.00 O ATOM 398 CB CYS A 28 4.718 -0.141 -2.722 1.00 0.00 C ATOM 399 SG CYS A 28 3.074 0.558 -3.080 1.00 0.00 S ATOM 0 H CYS A 28 7.345 0.005 -2.719 1.00 0.00 H new ATOM 0 HA CYS A 28 5.632 1.750 -2.247 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.238 -0.318 -3.663 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.591 -1.111 -2.241 1.00 0.00 H new ATOM 404 N MET A 29 4.761 2.065 0.025 1.00 0.00 N ATOM 405 CA MET A 29 4.164 2.299 1.337 1.00 0.00 C ATOM 406 C MET A 29 2.785 1.645 1.423 1.00 0.00 C ATOM 407 O MET A 29 2.636 0.571 2.003 1.00 0.00 O ATOM 408 CB MET A 29 4.057 3.802 1.605 1.00 0.00 C ATOM 409 CG MET A 29 3.941 4.152 3.079 1.00 0.00 C ATOM 410 SD MET A 29 3.441 5.863 3.350 1.00 0.00 S ATOM 411 CE MET A 29 3.952 6.617 1.806 1.00 0.00 C ATOM 0 H MET A 29 4.988 2.915 -0.491 1.00 0.00 H new ATOM 0 HA MET A 29 4.805 1.851 2.096 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.934 4.300 1.190 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.188 4.195 1.078 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.217 3.487 3.550 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.900 3.976 3.567 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.114 7.684 1.958 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.878 6.155 1.464 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.175 6.471 1.055 1.00 0.00 H new ATOM 421 N GLY A 30 1.783 2.286 0.824 1.00 0.00 N ATOM 422 CA GLY A 30 0.441 1.730 0.828 1.00 0.00 C ATOM 423 C GLY A 30 -0.478 2.335 1.876 1.00 0.00 C ATOM 424 O GLY A 30 -0.351 2.048 3.066 1.00 0.00 O ATOM 0 H GLY A 30 1.877 3.178 0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.004 1.875 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.505 0.655 0.994 1.00 0.00 H new ATOM 428 N CYS A 31 -1.427 3.151 1.421 1.00 0.00 N ATOM 429 CA CYS A 31 -2.402 3.777 2.304 1.00 0.00 C ATOM 430 C CYS A 31 -3.664 4.114 1.522 1.00 0.00 C ATOM 431 O CYS A 31 -4.182 5.228 1.595 1.00 0.00 O ATOM 432 CB CYS A 31 -1.829 5.035 2.955 1.00 0.00 C ATOM 433 SG CYS A 31 -2.716 5.554 4.460 1.00 0.00 S ATOM 0 H CYS A 31 -1.539 3.394 0.437 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.649 3.073 3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.782 4.859 3.204 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.852 5.850 2.232 1.00 0.00 H new ATOM 438 N CYS A 32 -4.139 3.129 0.767 1.00 0.00 N ATOM 439 CA CYS A 32 -5.335 3.280 -0.056 1.00 0.00 C ATOM 440 C CYS A 32 -6.265 4.346 0.509 1.00 0.00 C ATOM 441 O CYS A 32 -6.574 4.351 1.701 1.00 0.00 O ATOM 442 CB CYS A 32 -6.074 1.944 -0.170 1.00 0.00 C ATOM 443 SG CYS A 32 -5.104 0.620 -0.964 1.00 0.00 S ATOM 0 H CYS A 32 -3.708 2.206 0.708 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.019 3.599 -1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.366 1.617 0.828 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.992 2.097 -0.737 1.00 0.00 H new ATOM 448 N PHE A 33 -6.703 5.249 -0.361 1.00 0.00 N ATOM 449 CA PHE A 33 -7.595 6.332 0.035 1.00 0.00 C ATOM 450 C PHE A 33 -9.052 5.961 -0.222 1.00 0.00 C ATOM 451 O PHE A 33 -9.931 6.823 -0.220 1.00 0.00 O ATOM 452 CB PHE A 33 -7.245 7.605 -0.734 1.00 0.00 C ATOM 453 CG PHE A 33 -6.494 8.616 0.081 1.00 0.00 C ATOM 454 CD1 PHE A 33 -5.371 8.250 0.806 1.00 0.00 C ATOM 455 CD2 PHE A 33 -6.911 9.935 0.119 1.00 0.00 C ATOM 456 CE1 PHE A 33 -4.678 9.183 1.553 1.00 0.00 C ATOM 457 CE2 PHE A 33 -6.224 10.873 0.865 1.00 0.00 C ATOM 458 CZ PHE A 33 -5.106 10.497 1.583 1.00 0.00 C ATOM 0 H PHE A 33 -6.453 5.252 -1.350 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.466 6.505 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.648 7.339 -1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.164 8.060 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.034 7.224 0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.784 10.235 -0.441 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.803 8.886 2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.561 11.899 0.887 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.567 11.228 2.167 1.00 0.00 H new ATOM 468 N SER A 34 -9.301 4.677 -0.448 1.00 0.00 N ATOM 469 CA SER A 34 -10.652 4.198 -0.712 1.00 0.00 C ATOM 470 C SER A 34 -11.168 4.742 -2.040 1.00 0.00 C ATOM 471 O SER A 34 -11.747 5.828 -2.094 1.00 0.00 O ATOM 472 CB SER A 34 -11.591 4.604 0.426 1.00 0.00 C ATOM 473 OG SER A 34 -12.202 5.855 0.166 1.00 0.00 O ATOM 0 H SER A 34 -8.586 3.950 -0.454 1.00 0.00 H new ATOM 0 HA SER A 34 -10.623 3.110 -0.774 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.359 3.842 0.556 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.032 4.657 1.360 1.00 0.00 H new ATOM 0 HG SER A 34 -11.608 6.400 -0.392 1.00 0.00 H new ATOM 479 N ARG A 35 -10.949 3.982 -3.110 1.00 0.00 N ATOM 480 CA ARG A 35 -11.388 4.385 -4.443 1.00 0.00 C ATOM 481 C ARG A 35 -12.654 5.231 -4.367 1.00 0.00 C ATOM 482 O ARG A 35 -13.768 4.706 -4.392 1.00 0.00 O ATOM 483 CB ARG A 35 -11.637 3.152 -5.315 1.00 0.00 C ATOM 484 CG ARG A 35 -10.882 3.177 -6.634 1.00 0.00 C ATOM 485 CD ARG A 35 -11.810 3.474 -7.800 1.00 0.00 C ATOM 486 NE ARG A 35 -11.568 2.584 -8.933 1.00 0.00 N ATOM 487 CZ ARG A 35 -12.128 1.386 -9.062 1.00 0.00 C ATOM 488 NH1 ARG A 35 -12.954 0.933 -8.130 1.00 0.00 N ATOM 489 NH2 ARG A 35 -11.861 0.639 -10.126 1.00 0.00 N ATOM 0 H ARG A 35 -10.469 3.082 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.597 4.986 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.350 2.260 -4.759 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.705 3.071 -5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.097 3.932 -6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.392 2.216 -6.793 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.845 3.373 -7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.675 4.508 -8.116 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.933 2.900 -9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.161 1.504 -7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.382 0.013 -8.232 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.226 0.984 -10.845 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.291 -0.281 -10.224 1.00 0.00 H new ATOM 503 N ALA A 36 -12.475 6.545 -4.271 1.00 0.00 N ATOM 504 CA ALA A 36 -13.603 7.463 -4.188 1.00 0.00 C ATOM 505 C ALA A 36 -14.393 7.244 -2.903 1.00 0.00 C ATOM 506 O ALA A 36 -14.852 6.135 -2.625 1.00 0.00 O ATOM 507 CB ALA A 36 -14.505 7.298 -5.401 1.00 0.00 C ATOM 0 H ALA A 36 -11.560 6.996 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.214 8.481 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.344 7.990 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.938 7.511 -6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.880 6.275 -5.439 1.00 0.00 H new ATOM 513 N TYR A 37 -14.547 8.307 -2.122 1.00 0.00 N ATOM 514 CA TYR A 37 -15.281 8.232 -0.865 1.00 0.00 C ATOM 515 C TYR A 37 -16.723 7.799 -1.100 1.00 0.00 C ATOM 516 O TYR A 37 -17.534 8.561 -1.629 1.00 0.00 O ATOM 517 CB TYR A 37 -15.254 9.583 -0.151 1.00 0.00 C ATOM 518 CG TYR A 37 -13.975 9.840 0.610 1.00 0.00 C ATOM 519 CD1 TYR A 37 -12.741 9.771 -0.025 1.00 0.00 C ATOM 520 CD2 TYR A 37 -14.001 10.152 1.962 1.00 0.00 C ATOM 521 CE1 TYR A 37 -11.569 10.007 0.668 1.00 0.00 C ATOM 522 CE2 TYR A 37 -12.834 10.389 2.662 1.00 0.00 C ATOM 523 CZ TYR A 37 -11.622 10.316 2.011 1.00 0.00 C ATOM 524 OH TYR A 37 -10.458 10.552 2.706 1.00 0.00 O ATOM 0 H TYR A 37 -14.173 9.231 -2.337 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.794 7.486 -0.236 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.395 10.376 -0.886 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -16.095 9.636 0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.697 9.529 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -14.949 10.210 2.475 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -10.617 9.950 0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -12.871 10.630 3.714 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.671 10.757 3.640 1.00 0.00 H new ATOM 534 N PRO A 38 -17.059 6.564 -0.704 1.00 0.00 N ATOM 535 CA PRO A 38 -18.407 6.017 -0.866 1.00 0.00 C ATOM 536 C PRO A 38 -19.377 6.556 0.180 1.00 0.00 C ATOM 537 O PRO A 38 -18.973 7.236 1.123 1.00 0.00 O ATOM 538 CB PRO A 38 -18.193 4.517 -0.674 1.00 0.00 C ATOM 539 CG PRO A 38 -17.029 4.422 0.251 1.00 0.00 C ATOM 540 CD PRO A 38 -16.144 5.600 -0.065 1.00 0.00 C ATOM 0 HA PRO A 38 -18.849 6.282 -1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -19.077 4.041 -0.250 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -17.988 4.021 -1.622 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -17.355 4.448 1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.494 3.483 0.108 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.692 6.014 0.836 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -15.328 5.320 -0.731 1.00 0.00 H new ATOM 548 N THR A 39 -20.657 6.249 0.006 1.00 0.00 N ATOM 549 CA THR A 39 -21.686 6.702 0.935 1.00 0.00 C ATOM 550 C THR A 39 -23.078 6.391 0.396 1.00 0.00 C ATOM 551 O THR A 39 -23.259 6.189 -0.805 1.00 0.00 O ATOM 552 CB THR A 39 -21.548 8.205 1.192 1.00 0.00 C ATOM 553 OG1 THR A 39 -20.614 8.785 0.299 1.00 0.00 O ATOM 554 CG2 THR A 39 -21.103 8.534 2.601 1.00 0.00 C ATOM 0 H THR A 39 -21.008 5.688 -0.770 1.00 0.00 H new ATOM 0 HA THR A 39 -21.552 6.168 1.876 1.00 0.00 H new ATOM 0 HB THR A 39 -22.546 8.615 1.039 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.722 8.775 0.706 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.025 9.615 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 39 -21.831 8.145 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 39 -20.131 8.079 2.791 1.00 0.00 H new ATOM 562 N PRO A 40 -24.082 6.345 1.284 1.00 0.00 N ATOM 563 CA PRO A 40 -25.465 6.055 0.899 1.00 0.00 C ATOM 564 C PRO A 40 -26.148 7.244 0.229 1.00 0.00 C ATOM 565 O PRO A 40 -27.311 7.539 0.504 1.00 0.00 O ATOM 566 CB PRO A 40 -26.134 5.736 2.236 1.00 0.00 C ATOM 567 CG PRO A 40 -25.366 6.528 3.237 1.00 0.00 C ATOM 568 CD PRO A 40 -23.945 6.571 2.735 1.00 0.00 C ATOM 0 HA PRO A 40 -25.527 5.250 0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -27.187 6.018 2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -26.091 4.669 2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.775 7.533 3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -25.417 6.065 4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.473 7.530 2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -23.331 5.802 3.204 1.00 0.00 H new ATOM 576 N LEU A 41 -25.419 7.923 -0.654 1.00 0.00 N ATOM 577 CA LEU A 41 -25.957 9.078 -1.362 1.00 0.00 C ATOM 578 C LEU A 41 -26.968 8.647 -2.420 1.00 0.00 C ATOM 579 O LEU A 41 -27.175 7.455 -2.646 1.00 0.00 O ATOM 580 CB LEU A 41 -24.828 9.875 -2.017 1.00 0.00 C ATOM 581 CG LEU A 41 -24.870 11.381 -1.759 1.00 0.00 C ATOM 582 CD1 LEU A 41 -24.194 11.711 -0.437 1.00 0.00 C ATOM 583 CD2 LEU A 41 -24.211 12.138 -2.903 1.00 0.00 C ATOM 0 H LEU A 41 -24.455 7.692 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 41 -26.465 9.711 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -23.874 9.486 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -24.859 9.704 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 41 -25.913 11.693 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -24.232 12.787 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -24.711 11.197 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -23.154 11.385 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -24.251 13.208 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -23.171 11.824 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -24.739 11.924 -3.833 1.00 0.00 H new ATOM 595 N ARG A 42 -27.595 9.625 -3.065 1.00 0.00 N ATOM 596 CA ARG A 42 -28.586 9.348 -4.099 1.00 0.00 C ATOM 597 C ARG A 42 -28.179 8.137 -4.933 1.00 0.00 C ATOM 598 O ARG A 42 -28.986 7.240 -5.176 1.00 0.00 O ATOM 599 CB ARG A 42 -28.766 10.569 -5.004 1.00 0.00 C ATOM 600 CG ARG A 42 -28.912 11.874 -4.240 1.00 0.00 C ATOM 601 CD ARG A 42 -27.607 12.651 -4.214 1.00 0.00 C ATOM 602 NE ARG A 42 -27.829 14.090 -4.113 1.00 0.00 N ATOM 603 CZ ARG A 42 -27.004 15.000 -4.622 1.00 0.00 C ATOM 604 NH1 ARG A 42 -25.899 14.618 -5.249 1.00 0.00 N ATOM 605 NH2 ARG A 42 -27.280 16.290 -4.499 1.00 0.00 N ATOM 0 H ARG A 42 -27.435 10.617 -2.890 1.00 0.00 H new ATOM 0 HA ARG A 42 -29.534 9.126 -3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -27.910 10.644 -5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -29.648 10.422 -5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -29.690 12.482 -4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -29.233 11.666 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -27.003 12.317 -3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -27.038 12.435 -5.118 1.00 0.00 H new ATOM 0 HE ARG A 42 -28.663 14.416 -3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -25.682 13.626 -5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -25.267 15.317 -5.639 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -28.126 16.586 -4.013 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -26.646 16.987 -4.890 1.00 0.00 H new ATOM 619 N SER A 43 -26.923 8.118 -5.368 1.00 0.00 N ATOM 620 CA SER A 43 -26.411 7.018 -6.174 1.00 0.00 C ATOM 621 C SER A 43 -27.464 6.546 -7.176 1.00 0.00 C ATOM 622 O SER A 43 -28.100 7.361 -7.844 1.00 0.00 O ATOM 623 CB SER A 43 -25.977 5.863 -5.270 1.00 0.00 C ATOM 624 OG SER A 43 -25.056 6.306 -4.289 1.00 0.00 O ATOM 0 H SER A 43 -26.242 8.852 -5.175 1.00 0.00 H new ATOM 0 HA SER A 43 -25.545 7.371 -6.733 1.00 0.00 H new ATOM 0 HB2 SER A 43 -26.851 5.428 -4.784 1.00 0.00 H new ATOM 0 HB3 SER A 43 -25.523 5.076 -5.872 1.00 0.00 H new ATOM 0 HG SER A 43 -25.539 6.762 -3.569 1.00 0.00 H new ATOM 630 N LYS A 44 -27.645 5.232 -7.280 1.00 0.00 N ATOM 631 CA LYS A 44 -28.624 4.673 -8.205 1.00 0.00 C ATOM 632 C LYS A 44 -28.669 3.149 -8.107 1.00 0.00 C ATOM 633 O LYS A 44 -28.413 2.449 -9.086 1.00 0.00 O ATOM 634 CB LYS A 44 -28.294 5.095 -9.638 1.00 0.00 C ATOM 635 CG LYS A 44 -27.003 4.490 -10.166 1.00 0.00 C ATOM 636 CD LYS A 44 -26.138 5.533 -10.855 1.00 0.00 C ATOM 637 CE LYS A 44 -26.246 5.431 -12.367 1.00 0.00 C ATOM 638 NZ LYS A 44 -25.755 6.663 -13.041 1.00 0.00 N ATOM 0 H LYS A 44 -27.129 4.539 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 44 -29.606 5.060 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.116 4.805 -10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -28.221 6.182 -9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -26.447 4.042 -9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -27.236 3.689 -10.867 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.441 6.529 -10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -25.099 5.403 -10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -25.671 4.573 -12.715 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -27.285 5.254 -12.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.845 6.554 -14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -26.320 7.478 -12.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.756 6.819 -12.795 1.00 0.00 H new ATOM 652 N LYS A 45 -28.997 2.642 -6.920 1.00 0.00 N ATOM 653 CA LYS A 45 -29.076 1.200 -6.698 1.00 0.00 C ATOM 654 C LYS A 45 -30.435 0.808 -6.114 1.00 0.00 C ATOM 655 O LYS A 45 -31.467 1.347 -6.515 1.00 0.00 O ATOM 656 CB LYS A 45 -27.947 0.749 -5.770 1.00 0.00 C ATOM 657 CG LYS A 45 -26.561 1.052 -6.313 1.00 0.00 C ATOM 658 CD LYS A 45 -26.331 0.375 -7.654 1.00 0.00 C ATOM 659 CE LYS A 45 -26.707 -1.097 -7.604 1.00 0.00 C ATOM 660 NZ LYS A 45 -26.135 -1.856 -8.749 1.00 0.00 N ATOM 0 H LYS A 45 -29.212 3.207 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 45 -28.966 0.699 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -28.065 1.238 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -28.035 -0.324 -5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.439 2.130 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -25.808 0.716 -5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -26.920 0.877 -8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.284 0.475 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -26.353 -1.530 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -27.793 -1.195 -7.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.415 -2.855 -8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.492 -1.459 -9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.098 -1.785 -8.729 1.00 0.00 H new ATOM 674 N THR A 46 -30.434 -0.134 -5.170 1.00 0.00 N ATOM 675 CA THR A 46 -31.673 -0.589 -4.546 1.00 0.00 C ATOM 676 C THR A 46 -31.555 -0.586 -3.023 1.00 0.00 C ATOM 677 O THR A 46 -32.484 -0.187 -2.320 1.00 0.00 O ATOM 678 CB THR A 46 -32.035 -1.993 -5.040 1.00 0.00 C ATOM 679 OG1 THR A 46 -32.896 -2.641 -4.120 1.00 0.00 O ATOM 680 CG2 THR A 46 -30.832 -2.887 -5.249 1.00 0.00 C ATOM 0 H THR A 46 -29.592 -0.594 -4.823 1.00 0.00 H new ATOM 0 HA THR A 46 -32.465 0.104 -4.830 1.00 0.00 H new ATOM 0 HB THR A 46 -32.524 -1.841 -6.002 1.00 0.00 H new ATOM 0 HG1 THR A 46 -33.117 -3.536 -4.453 1.00 0.00 H new ATOM 0 HG21 THR A 46 -31.162 -3.865 -5.599 1.00 0.00 H new ATOM 0 HG22 THR A 46 -30.171 -2.440 -5.992 1.00 0.00 H new ATOM 0 HG23 THR A 46 -30.295 -3.001 -4.307 1.00 0.00 H new ATOM 688 N MET A 47 -30.410 -1.033 -2.518 1.00 0.00 N ATOM 689 CA MET A 47 -30.178 -1.079 -1.078 1.00 0.00 C ATOM 690 C MET A 47 -30.888 -2.273 -0.452 1.00 0.00 C ATOM 691 O MET A 47 -31.949 -2.691 -0.917 1.00 0.00 O ATOM 692 CB MET A 47 -30.663 0.214 -0.420 1.00 0.00 C ATOM 693 CG MET A 47 -29.783 0.682 0.727 1.00 0.00 C ATOM 694 SD MET A 47 -28.587 1.930 0.218 1.00 0.00 S ATOM 695 CE MET A 47 -29.470 3.430 0.634 1.00 0.00 C ATOM 0 H MET A 47 -29.629 -1.368 -3.083 1.00 0.00 H new ATOM 0 HA MET A 47 -29.106 -1.185 -0.912 1.00 0.00 H new ATOM 0 HB2 MET A 47 -30.710 1.000 -1.174 1.00 0.00 H new ATOM 0 HB3 MET A 47 -31.678 0.065 -0.051 1.00 0.00 H new ATOM 0 HG2 MET A 47 -30.411 1.088 1.520 1.00 0.00 H new ATOM 0 HG3 MET A 47 -29.254 -0.174 1.146 1.00 0.00 H new ATOM 0 HE1 MET A 47 -28.859 4.295 0.378 1.00 0.00 H new ATOM 0 HE2 MET A 47 -30.405 3.468 0.076 1.00 0.00 H new ATOM 0 HE3 MET A 47 -29.685 3.441 1.703 1.00 0.00 H new ATOM 705 N LEU A 48 -30.298 -2.818 0.606 1.00 0.00 N ATOM 706 CA LEU A 48 -30.879 -3.964 1.293 1.00 0.00 C ATOM 707 C LEU A 48 -29.889 -4.560 2.290 1.00 0.00 C ATOM 708 O LEU A 48 -28.724 -4.790 1.964 1.00 0.00 O ATOM 709 CB LEU A 48 -31.325 -5.014 0.266 1.00 0.00 C ATOM 710 CG LEU A 48 -30.715 -6.411 0.420 1.00 0.00 C ATOM 711 CD1 LEU A 48 -31.754 -7.389 0.945 1.00 0.00 C ATOM 712 CD2 LEU A 48 -30.156 -6.891 -0.911 1.00 0.00 C ATOM 0 H LEU A 48 -29.420 -2.485 1.005 1.00 0.00 H new ATOM 0 HA LEU A 48 -31.752 -3.632 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -32.410 -5.106 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -31.085 -4.643 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 48 -29.899 -6.357 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -31.304 -8.377 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -32.114 -7.050 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -32.589 -7.442 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -29.726 -7.885 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -30.957 -6.932 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -29.384 -6.201 -1.252 1.00 0.00 H new ATOM 724 N VAL A 49 -30.364 -4.803 3.508 1.00 0.00 N ATOM 725 CA VAL A 49 -29.529 -5.370 4.559 1.00 0.00 C ATOM 726 C VAL A 49 -28.087 -4.881 4.453 1.00 0.00 C ATOM 727 O VAL A 49 -27.819 -3.829 3.872 1.00 0.00 O ATOM 728 CB VAL A 49 -29.550 -6.909 4.517 1.00 0.00 C ATOM 729 CG1 VAL A 49 -30.973 -7.417 4.341 1.00 0.00 C ATOM 730 CG2 VAL A 49 -28.651 -7.430 3.405 1.00 0.00 C ATOM 0 H VAL A 49 -31.326 -4.615 3.791 1.00 0.00 H new ATOM 0 HA VAL A 49 -29.945 -5.033 5.509 1.00 0.00 H new ATOM 0 HB VAL A 49 -29.166 -7.284 5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -30.970 -8.507 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -31.586 -7.077 5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -31.384 -7.032 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -28.681 -8.520 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -29.000 -7.047 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -27.628 -7.097 3.578 1.00 0.00 H new ATOM 740 N GLN A 50 -27.161 -5.647 5.023 1.00 0.00 N ATOM 741 CA GLN A 50 -25.746 -5.289 4.994 1.00 0.00 C ATOM 742 C GLN A 50 -24.870 -6.511 5.257 1.00 0.00 C ATOM 743 O GLN A 50 -24.917 -7.100 6.337 1.00 0.00 O ATOM 744 CB GLN A 50 -25.453 -4.201 6.030 1.00 0.00 C ATOM 745 CG GLN A 50 -24.904 -2.919 5.424 1.00 0.00 C ATOM 746 CD GLN A 50 -23.670 -2.413 6.146 1.00 0.00 C ATOM 747 OE1 GLN A 50 -23.015 -3.156 6.877 1.00 0.00 O ATOM 748 NE2 GLN A 50 -23.345 -1.142 5.942 1.00 0.00 N ATOM 0 H GLN A 50 -27.365 -6.519 5.511 1.00 0.00 H new ATOM 0 HA GLN A 50 -25.513 -4.906 4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -26.369 -3.973 6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -24.737 -4.586 6.757 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -24.661 -3.092 4.376 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -25.676 -2.150 5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -23.916 -0.562 5.328 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -22.524 -0.746 6.399 1.00 0.00 H new ATOM 757 N LYS A 51 -24.078 -6.891 4.258 1.00 0.00 N ATOM 758 CA LYS A 51 -23.196 -8.048 4.373 1.00 0.00 C ATOM 759 C LYS A 51 -22.312 -7.954 5.613 1.00 0.00 C ATOM 760 O LYS A 51 -21.984 -6.861 6.075 1.00 0.00 O ATOM 761 CB LYS A 51 -22.324 -8.176 3.123 1.00 0.00 C ATOM 762 CG LYS A 51 -22.377 -9.554 2.485 1.00 0.00 C ATOM 763 CD LYS A 51 -21.049 -9.925 1.846 1.00 0.00 C ATOM 764 CE LYS A 51 -21.190 -11.127 0.927 1.00 0.00 C ATOM 765 NZ LYS A 51 -20.915 -12.406 1.639 1.00 0.00 N ATOM 0 H LYS A 51 -24.029 -6.413 3.358 1.00 0.00 H new ATOM 0 HA LYS A 51 -23.823 -8.934 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -22.641 -7.433 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.291 -7.945 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.638 -10.296 3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.164 -9.577 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.667 -9.076 1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.318 -10.144 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.198 -11.151 0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -20.503 -11.024 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.022 -13.201 0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.944 -12.394 2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.587 -12.517 2.425 1.00 0.00 H new ATOM 779 N ASN A 52 -21.928 -9.112 6.142 1.00 0.00 N ATOM 780 CA ASN A 52 -21.078 -9.173 7.326 1.00 0.00 C ATOM 781 C ASN A 52 -19.803 -8.362 7.118 1.00 0.00 C ATOM 782 O ASN A 52 -19.304 -8.248 5.998 1.00 0.00 O ATOM 783 CB ASN A 52 -20.730 -10.628 7.651 1.00 0.00 C ATOM 784 CG ASN A 52 -20.428 -10.841 9.122 1.00 0.00 C ATOM 785 OD1 ASN A 52 -21.339 -10.907 9.948 1.00 0.00 O ATOM 786 ND2 ASN A 52 -19.145 -10.950 9.452 1.00 0.00 N ATOM 0 H ASN A 52 -22.193 -10.023 5.768 1.00 0.00 H new ATOM 0 HA ASN A 52 -21.626 -8.743 8.165 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -21.560 -11.270 7.358 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.867 -10.932 7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -18.426 -10.889 8.731 1.00 0.00 H new ATOM 791 N VAL A 53 -19.288 -7.793 8.202 1.00 0.00 N ATOM 792 CA VAL A 53 -18.077 -6.982 8.139 1.00 0.00 C ATOM 793 C VAL A 53 -18.388 -5.591 7.598 1.00 0.00 C ATOM 794 O VAL A 53 -19.451 -5.366 7.020 1.00 0.00 O ATOM 795 CB VAL A 53 -16.991 -7.645 7.261 1.00 0.00 C ATOM 796 CG1 VAL A 53 -16.837 -6.916 5.932 1.00 0.00 C ATOM 797 CG2 VAL A 53 -15.665 -7.691 8.005 1.00 0.00 C ATOM 0 H VAL A 53 -19.690 -7.878 9.136 1.00 0.00 H new ATOM 0 HA VAL A 53 -17.694 -6.898 9.156 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.306 -8.666 7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -16.066 -7.405 5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.783 -6.940 5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.551 -5.880 6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -14.910 -8.160 7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.351 -6.677 8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.782 -8.269 8.922 1.00 0.00 H new ATOM 807 N THR A 54 -17.458 -4.660 7.785 1.00 0.00 N ATOM 808 CA THR A 54 -17.646 -3.294 7.312 1.00 0.00 C ATOM 809 C THR A 54 -16.313 -2.639 6.955 1.00 0.00 C ATOM 810 O THR A 54 -16.055 -2.330 5.791 1.00 0.00 O ATOM 811 CB THR A 54 -18.366 -2.461 8.373 1.00 0.00 C ATOM 812 OG1 THR A 54 -17.465 -2.059 9.390 1.00 0.00 O ATOM 813 CG2 THR A 54 -19.512 -3.194 9.040 1.00 0.00 C ATOM 0 H THR A 54 -16.570 -4.826 8.259 1.00 0.00 H new ATOM 0 HA THR A 54 -18.256 -3.336 6.410 1.00 0.00 H new ATOM 0 HB THR A 54 -18.770 -1.602 7.838 1.00 0.00 H new ATOM 0 HG1 THR A 54 -17.943 -1.526 10.059 1.00 0.00 H new ATOM 0 HG21 THR A 54 -19.977 -2.544 9.781 1.00 0.00 H new ATOM 0 HG22 THR A 54 -20.250 -3.475 8.289 1.00 0.00 H new ATOM 0 HG23 THR A 54 -19.134 -4.091 9.530 1.00 0.00 H new ATOM 821 N SER A 55 -15.475 -2.418 7.964 1.00 0.00 N ATOM 822 CA SER A 55 -14.175 -1.788 7.756 1.00 0.00 C ATOM 823 C SER A 55 -13.294 -2.618 6.827 1.00 0.00 C ATOM 824 O SER A 55 -13.418 -3.841 6.762 1.00 0.00 O ATOM 825 CB SER A 55 -13.464 -1.577 9.094 1.00 0.00 C ATOM 826 OG SER A 55 -14.274 -2.002 10.176 1.00 0.00 O ATOM 0 H SER A 55 -15.673 -2.666 8.933 1.00 0.00 H new ATOM 0 HA SER A 55 -14.350 -0.821 7.285 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.524 -2.129 9.101 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.215 -0.523 9.215 1.00 0.00 H new ATOM 0 HG SER A 55 -13.796 -1.858 11.019 1.00 0.00 H new ATOM 832 N GLU A 56 -12.400 -1.940 6.113 1.00 0.00 N ATOM 833 CA GLU A 56 -11.491 -2.606 5.188 1.00 0.00 C ATOM 834 C GLU A 56 -10.089 -2.011 5.285 1.00 0.00 C ATOM 835 O GLU A 56 -9.916 -0.881 5.740 1.00 0.00 O ATOM 836 CB GLU A 56 -12.010 -2.488 3.753 1.00 0.00 C ATOM 837 CG GLU A 56 -13.290 -3.270 3.505 1.00 0.00 C ATOM 838 CD GLU A 56 -14.368 -2.432 2.845 1.00 0.00 C ATOM 839 OE1 GLU A 56 -14.244 -1.190 2.854 1.00 0.00 O ATOM 840 OE2 GLU A 56 -15.337 -3.019 2.320 1.00 0.00 O ATOM 0 H GLU A 56 -12.286 -0.927 6.158 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.441 -3.660 5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.186 -1.437 3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.240 -2.840 3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.069 -4.132 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.665 -3.656 4.453 1.00 0.00 H new ATOM 847 N SER A 57 -9.093 -2.777 4.855 1.00 0.00 N ATOM 848 CA SER A 57 -7.709 -2.321 4.895 1.00 0.00 C ATOM 849 C SER A 57 -7.144 -2.180 3.487 1.00 0.00 C ATOM 850 O SER A 57 -7.276 -1.130 2.857 1.00 0.00 O ATOM 851 CB SER A 57 -6.852 -3.291 5.711 1.00 0.00 C ATOM 852 OG SER A 57 -5.495 -2.882 5.729 1.00 0.00 O ATOM 0 H SER A 57 -9.218 -3.715 4.475 1.00 0.00 H new ATOM 0 HA SER A 57 -7.688 -1.342 5.374 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.232 -3.347 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.928 -4.293 5.288 1.00 0.00 H new ATOM 0 HG SER A 57 -4.969 -3.517 6.258 1.00 0.00 H new ATOM 858 N THR A 58 -6.517 -3.242 2.996 1.00 0.00 N ATOM 859 CA THR A 58 -5.937 -3.231 1.661 1.00 0.00 C ATOM 860 C THR A 58 -4.709 -2.330 1.610 1.00 0.00 C ATOM 861 O THR A 58 -4.563 -1.415 2.422 1.00 0.00 O ATOM 862 CB THR A 58 -6.972 -2.756 0.641 1.00 0.00 C ATOM 863 OG1 THR A 58 -8.252 -2.652 1.239 1.00 0.00 O ATOM 864 CG2 THR A 58 -7.100 -3.672 -0.556 1.00 0.00 C ATOM 0 H THR A 58 -6.398 -4.120 3.502 1.00 0.00 H new ATOM 0 HA THR A 58 -5.630 -4.248 1.415 1.00 0.00 H new ATOM 0 HB THR A 58 -6.614 -1.785 0.298 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.381 -1.742 1.579 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.851 -3.275 -1.239 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.141 -3.736 -1.069 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.401 -4.665 -0.223 1.00 0.00 H new ATOM 872 N CYS A 59 -3.833 -2.592 0.649 1.00 0.00 N ATOM 873 CA CYS A 59 -2.617 -1.807 0.482 1.00 0.00 C ATOM 874 C CYS A 59 -1.920 -2.176 -0.824 1.00 0.00 C ATOM 875 O CYS A 59 -1.636 -3.345 -1.079 1.00 0.00 O ATOM 876 CB CYS A 59 -1.673 -2.020 1.666 1.00 0.00 C ATOM 877 SG CYS A 59 -1.437 -3.766 2.126 1.00 0.00 S ATOM 0 H CYS A 59 -3.943 -3.346 -0.030 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.892 -0.753 0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.703 -1.585 1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.061 -1.478 2.528 1.00 0.00 H new ATOM 882 N CYS A 60 -1.663 -1.172 -1.654 1.00 0.00 N ATOM 883 CA CYS A 60 -1.016 -1.388 -2.943 1.00 0.00 C ATOM 884 C CYS A 60 0.163 -2.351 -2.836 1.00 0.00 C ATOM 885 O CYS A 60 1.143 -2.079 -2.142 1.00 0.00 O ATOM 886 CB CYS A 60 -0.532 -0.060 -3.530 1.00 0.00 C ATOM 887 SG CYS A 60 -1.801 1.243 -3.601 1.00 0.00 S ATOM 0 H CYS A 60 -1.893 -0.198 -1.457 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.762 -1.833 -3.602 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.308 0.301 -2.936 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.156 -0.238 -4.537 1.00 0.00 H new ATOM 892 N VAL A 61 0.071 -3.463 -3.557 1.00 0.00 N ATOM 893 CA VAL A 61 1.137 -4.457 -3.582 1.00 0.00 C ATOM 894 C VAL A 61 1.887 -4.355 -4.903 1.00 0.00 C ATOM 895 O VAL A 61 1.477 -4.951 -5.899 1.00 0.00 O ATOM 896 CB VAL A 61 0.584 -5.888 -3.422 1.00 0.00 C ATOM 897 CG1 VAL A 61 1.629 -6.803 -2.801 1.00 0.00 C ATOM 898 CG2 VAL A 61 -0.688 -5.881 -2.590 1.00 0.00 C ATOM 0 H VAL A 61 -0.736 -3.699 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 61 1.806 -4.257 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 61 0.342 -6.273 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.218 -7.807 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.510 -6.836 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.908 -6.422 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.062 -6.900 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.474 -5.473 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.441 -5.265 -3.082 1.00 0.00 H new ATOM 908 N ALA A 62 2.968 -3.575 -4.912 1.00 0.00 N ATOM 909 CA ALA A 62 3.758 -3.365 -6.124 1.00 0.00 C ATOM 910 C ALA A 62 3.244 -4.193 -7.294 1.00 0.00 C ATOM 911 O ALA A 62 3.354 -5.419 -7.298 1.00 0.00 O ATOM 912 CB ALA A 62 5.222 -3.675 -5.879 1.00 0.00 C ATOM 0 H ALA A 62 3.316 -3.078 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 62 3.655 -2.312 -6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.787 -3.511 -6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.606 -3.023 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.327 -4.715 -5.570 1.00 0.00 H new ATOM 918 N LYS A 63 2.702 -3.510 -8.295 1.00 0.00 N ATOM 919 CA LYS A 63 2.193 -4.170 -9.483 1.00 0.00 C ATOM 920 C LYS A 63 3.348 -4.773 -10.253 1.00 0.00 C ATOM 921 O LYS A 63 3.213 -5.796 -10.924 1.00 0.00 O ATOM 922 CB LYS A 63 1.460 -3.167 -10.366 1.00 0.00 C ATOM 923 CG LYS A 63 0.630 -3.818 -11.457 1.00 0.00 C ATOM 924 CD LYS A 63 0.165 -2.804 -12.490 1.00 0.00 C ATOM 925 CE LYS A 63 -1.104 -3.264 -13.188 1.00 0.00 C ATOM 926 NZ LYS A 63 -0.897 -4.537 -13.932 1.00 0.00 N ATOM 0 H LYS A 63 2.605 -2.495 -8.304 1.00 0.00 H new ATOM 0 HA LYS A 63 1.497 -4.955 -9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.810 -2.553 -9.743 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.188 -2.498 -10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.218 -4.594 -11.948 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.236 -4.308 -11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.012 -1.844 -12.005 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.952 -2.648 -13.228 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.896 -3.399 -12.451 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.440 -2.490 -13.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.754 -4.764 -14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.092 -4.432 -14.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.701 -5.305 -13.258 1.00 0.00 H new ATOM 940 N SER A 64 4.493 -4.119 -10.133 1.00 0.00 N ATOM 941 CA SER A 64 5.701 -4.566 -10.798 1.00 0.00 C ATOM 942 C SER A 64 6.923 -4.176 -9.986 1.00 0.00 C ATOM 943 O SER A 64 7.242 -2.996 -9.846 1.00 0.00 O ATOM 944 CB SER A 64 5.795 -3.981 -12.207 1.00 0.00 C ATOM 945 OG SER A 64 4.730 -4.436 -13.022 1.00 0.00 O ATOM 0 H SER A 64 4.608 -3.272 -9.577 1.00 0.00 H new ATOM 0 HA SER A 64 5.663 -5.652 -10.880 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.776 -2.892 -12.154 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.747 -4.262 -12.658 1.00 0.00 H new ATOM 0 HG SER A 64 4.813 -4.046 -13.917 1.00 0.00 H new ATOM 951 N TYR A 65 7.591 -5.177 -9.440 1.00 0.00 N ATOM 952 CA TYR A 65 8.769 -4.952 -8.622 1.00 0.00 C ATOM 953 C TYR A 65 10.042 -5.053 -9.434 1.00 0.00 C ATOM 954 O TYR A 65 10.073 -5.663 -10.503 1.00 0.00 O ATOM 955 CB TYR A 65 8.829 -5.982 -7.498 1.00 0.00 C ATOM 956 CG TYR A 65 8.357 -7.359 -7.903 1.00 0.00 C ATOM 957 CD1 TYR A 65 9.097 -8.133 -8.788 1.00 0.00 C ATOM 958 CD2 TYR A 65 7.177 -7.887 -7.397 1.00 0.00 C ATOM 959 CE1 TYR A 65 8.674 -9.394 -9.158 1.00 0.00 C ATOM 960 CE2 TYR A 65 6.747 -9.148 -7.762 1.00 0.00 C ATOM 961 CZ TYR A 65 7.499 -9.898 -8.642 1.00 0.00 C ATOM 962 OH TYR A 65 7.073 -11.154 -9.009 1.00 0.00 O ATOM 0 H TYR A 65 7.336 -6.158 -9.549 1.00 0.00 H new ATOM 0 HA TYR A 65 8.691 -3.944 -8.214 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.855 -6.052 -7.137 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.221 -5.631 -6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 65 10.018 -7.742 -9.193 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.586 -7.303 -6.707 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.260 -9.983 -9.848 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.826 -9.545 -7.360 1.00 0.00 H new ATOM 0 HH TYR A 65 6.229 -11.359 -8.555 1.00 0.00 H new ATOM 972 N ASN A 66 11.106 -4.495 -8.883 1.00 0.00 N ATOM 973 CA ASN A 66 12.409 -4.565 -9.518 1.00 0.00 C ATOM 974 C ASN A 66 13.406 -4.984 -8.474 1.00 0.00 C ATOM 975 O ASN A 66 14.588 -4.649 -8.519 1.00 0.00 O ATOM 976 CB ASN A 66 12.800 -3.237 -10.149 1.00 0.00 C ATOM 977 CG ASN A 66 12.997 -3.344 -11.648 1.00 0.00 C ATOM 978 OD1 ASN A 66 12.212 -2.808 -12.430 1.00 0.00 O ATOM 979 ND2 ASN A 66 14.051 -4.041 -12.057 1.00 0.00 N ATOM 0 H ASN A 66 11.093 -3.989 -7.998 1.00 0.00 H new ATOM 0 HA ASN A 66 12.384 -5.292 -10.330 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.028 -2.497 -9.939 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.720 -2.877 -9.689 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.235 -4.149 -13.054 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.676 -4.469 -11.374 1.00 0.00 H new ATOM 986 N ARG A 67 12.860 -5.724 -7.534 1.00 0.00 N ATOM 987 CA ARG A 67 13.588 -6.261 -6.396 1.00 0.00 C ATOM 988 C ARG A 67 15.086 -6.076 -6.544 1.00 0.00 C ATOM 989 O ARG A 67 15.673 -6.374 -7.585 1.00 0.00 O ATOM 990 CB ARG A 67 13.257 -7.736 -6.230 1.00 0.00 C ATOM 991 CG ARG A 67 13.294 -8.476 -7.541 1.00 0.00 C ATOM 992 CD ARG A 67 14.257 -9.651 -7.505 1.00 0.00 C ATOM 993 NE ARG A 67 14.360 -10.307 -8.804 1.00 0.00 N ATOM 994 CZ ARG A 67 13.473 -11.189 -9.252 1.00 0.00 C ATOM 995 NH1 ARG A 67 12.426 -11.515 -8.506 1.00 0.00 N ATOM 996 NH2 ARG A 67 13.628 -11.742 -10.446 1.00 0.00 N ATOM 0 H ARG A 67 11.872 -5.978 -7.536 1.00 0.00 H new ATOM 0 HA ARG A 67 13.278 -5.710 -5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.966 -8.190 -5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.267 -7.837 -5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.294 -8.835 -7.783 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.588 -7.791 -8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.242 -9.304 -7.194 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.923 -10.372 -6.759 1.00 0.00 H new ATOM 0 HE ARG A 67 15.155 -10.076 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.301 -11.089 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.745 -12.192 -8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.430 -11.491 -11.024 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.945 -12.419 -10.787 1.00 0.00 H new ATOM 1010 N VAL A 68 15.687 -5.589 -5.481 1.00 0.00 N ATOM 1011 CA VAL A 68 17.119 -5.350 -5.438 1.00 0.00 C ATOM 1012 C VAL A 68 17.686 -5.779 -4.096 1.00 0.00 C ATOM 1013 O VAL A 68 18.471 -5.060 -3.478 1.00 0.00 O ATOM 1014 CB VAL A 68 17.451 -3.860 -5.674 1.00 0.00 C ATOM 1015 CG1 VAL A 68 16.666 -3.301 -6.854 1.00 0.00 C ATOM 1016 CG2 VAL A 68 17.171 -3.039 -4.424 1.00 0.00 C ATOM 0 H VAL A 68 15.199 -5.346 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 68 17.571 -5.939 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 68 18.514 -3.792 -5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.921 -2.251 -6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.917 -3.860 -7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.598 -3.392 -6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.412 -1.993 -4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.117 -3.126 -4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.783 -3.409 -3.601 1.00 0.00 H new ATOM 1026 N THR A 69 17.263 -6.953 -3.649 1.00 0.00 N ATOM 1027 CA THR A 69 17.697 -7.493 -2.366 1.00 0.00 C ATOM 1028 C THR A 69 18.914 -6.758 -1.833 1.00 0.00 C ATOM 1029 O THR A 69 19.982 -6.773 -2.445 1.00 0.00 O ATOM 1030 CB THR A 69 18.016 -8.977 -2.458 1.00 0.00 C ATOM 1031 OG1 THR A 69 16.857 -9.727 -2.770 1.00 0.00 O ATOM 1032 CG2 THR A 69 18.587 -9.512 -1.163 1.00 0.00 C ATOM 0 H THR A 69 16.615 -7.554 -4.159 1.00 0.00 H new ATOM 0 HA THR A 69 16.864 -7.351 -1.678 1.00 0.00 H new ATOM 0 HB THR A 69 18.757 -9.082 -3.250 1.00 0.00 H new ATOM 0 HG1 THR A 69 17.088 -10.678 -2.825 1.00 0.00 H new ATOM 0 HG21 THR A 69 18.801 -10.575 -1.271 1.00 0.00 H new ATOM 0 HG22 THR A 69 19.507 -8.979 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 69 17.865 -9.367 -0.360 1.00 0.00 H new ATOM 1040 N VAL A 70 18.744 -6.121 -0.687 1.00 0.00 N ATOM 1041 CA VAL A 70 19.827 -5.381 -0.063 1.00 0.00 C ATOM 1042 C VAL A 70 20.223 -5.996 1.264 1.00 0.00 C ATOM 1043 O VAL A 70 19.797 -7.097 1.614 1.00 0.00 O ATOM 1044 CB VAL A 70 19.453 -3.907 0.185 1.00 0.00 C ATOM 1045 CG1 VAL A 70 20.555 -2.980 -0.306 1.00 0.00 C ATOM 1046 CG2 VAL A 70 18.124 -3.567 -0.475 1.00 0.00 C ATOM 0 H VAL A 70 17.865 -6.102 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 70 20.663 -5.429 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 70 19.343 -3.762 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 70 20.269 -1.945 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 70 21.481 -3.202 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 70 20.706 -3.129 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.881 -2.521 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 70 18.198 -3.734 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 70 17.340 -4.202 -0.062 1.00 0.00 H new ATOM 1056 N MET A 71 21.042 -5.262 1.994 1.00 0.00 N ATOM 1057 CA MET A 71 21.518 -5.701 3.295 1.00 0.00 C ATOM 1058 C MET A 71 21.652 -7.217 3.339 1.00 0.00 C ATOM 1059 O MET A 71 22.076 -7.840 2.366 1.00 0.00 O ATOM 1060 CB MET A 71 20.569 -5.226 4.394 1.00 0.00 C ATOM 1061 CG MET A 71 19.629 -4.129 3.940 1.00 0.00 C ATOM 1062 SD MET A 71 18.884 -3.221 5.310 1.00 0.00 S ATOM 1063 CE MET A 71 19.806 -3.863 6.705 1.00 0.00 C ATOM 0 H MET A 71 21.395 -4.350 1.705 1.00 0.00 H new ATOM 0 HA MET A 71 22.502 -5.263 3.463 1.00 0.00 H new ATOM 0 HB2 MET A 71 19.983 -6.073 4.750 1.00 0.00 H new ATOM 0 HB3 MET A 71 21.155 -4.866 5.240 1.00 0.00 H new ATOM 0 HG2 MET A 71 20.175 -3.432 3.304 1.00 0.00 H new ATOM 0 HG3 MET A 71 18.839 -4.566 3.329 1.00 0.00 H new ATOM 0 HE1 MET A 71 19.418 -3.431 7.627 1.00 0.00 H new ATOM 0 HE2 MET A 71 19.704 -4.948 6.741 1.00 0.00 H new ATOM 0 HE3 MET A 71 20.859 -3.601 6.597 1.00 0.00 H new ATOM 1073 N GLY A 72 21.280 -7.807 4.470 1.00 0.00 N ATOM 1074 CA GLY A 72 21.357 -9.243 4.611 1.00 0.00 C ATOM 1075 C GLY A 72 20.374 -9.966 3.710 1.00 0.00 C ATOM 1076 O GLY A 72 20.316 -11.195 3.702 1.00 0.00 O ATOM 0 H GLY A 72 20.927 -7.313 5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.369 -9.574 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.162 -9.514 5.649 1.00 0.00 H new ATOM 1080 N GLY A 73 19.597 -9.199 2.950 1.00 0.00 N ATOM 1081 CA GLY A 73 18.620 -9.783 2.053 1.00 0.00 C ATOM 1082 C GLY A 73 17.329 -8.990 2.020 1.00 0.00 C ATOM 1083 O GLY A 73 16.240 -9.564 1.980 1.00 0.00 O ATOM 0 H GLY A 73 19.628 -8.180 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 73 19.038 -9.836 1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 73 18.409 -10.806 2.365 1.00 0.00 H new ATOM 1087 N PHE A 74 17.451 -7.666 2.043 1.00 0.00 N ATOM 1088 CA PHE A 74 16.287 -6.789 2.022 1.00 0.00 C ATOM 1089 C PHE A 74 15.672 -6.724 0.631 1.00 0.00 C ATOM 1090 O PHE A 74 16.302 -6.255 -0.315 1.00 0.00 O ATOM 1091 CB PHE A 74 16.669 -5.387 2.487 1.00 0.00 C ATOM 1092 CG PHE A 74 16.754 -5.258 3.980 1.00 0.00 C ATOM 1093 CD1 PHE A 74 17.539 -6.128 4.720 1.00 0.00 C ATOM 1094 CD2 PHE A 74 16.045 -4.270 4.643 1.00 0.00 C ATOM 1095 CE1 PHE A 74 17.616 -6.013 6.095 1.00 0.00 C ATOM 1096 CE2 PHE A 74 16.117 -4.151 6.017 1.00 0.00 C ATOM 1097 CZ PHE A 74 16.903 -5.024 6.745 1.00 0.00 C ATOM 0 H PHE A 74 18.346 -7.177 2.076 1.00 0.00 H new ATOM 0 HA PHE A 74 15.546 -7.203 2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 74 17.631 -5.117 2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 74 15.936 -4.674 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 74 18.096 -6.904 4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 74 15.429 -3.585 4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 74 18.233 -6.695 6.661 1.00 0.00 H new ATOM 0 HE2 PHE A 74 15.559 -3.376 6.522 1.00 0.00 H new ATOM 0 HZ PHE A 74 16.960 -4.933 7.820 1.00 0.00 H new ATOM 1107 N LYS A 75 14.439 -7.200 0.516 1.00 0.00 N ATOM 1108 CA LYS A 75 13.738 -7.207 -0.761 1.00 0.00 C ATOM 1109 C LYS A 75 12.735 -6.060 -0.867 1.00 0.00 C ATOM 1110 O LYS A 75 11.712 -6.044 -0.182 1.00 0.00 O ATOM 1111 CB LYS A 75 13.018 -8.542 -0.963 1.00 0.00 C ATOM 1112 CG LYS A 75 13.596 -9.683 -0.140 1.00 0.00 C ATOM 1113 CD LYS A 75 14.778 -10.333 -0.841 1.00 0.00 C ATOM 1114 CE LYS A 75 14.335 -11.484 -1.731 1.00 0.00 C ATOM 1115 NZ LYS A 75 15.121 -12.721 -1.471 1.00 0.00 N ATOM 0 H LYS A 75 13.903 -7.587 1.293 1.00 0.00 H new ATOM 0 HA LYS A 75 14.486 -7.072 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.966 -8.419 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.060 -8.810 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.911 -9.308 0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.823 -10.430 0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.301 -9.588 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.487 -10.698 -0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.277 -11.685 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.445 -11.197 -2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.789 -13.482 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.128 -12.537 -1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.996 -13.010 -0.480 1.00 0.00 H new ATOM 1129 N VAL A 76 13.033 -5.114 -1.750 1.00 0.00 N ATOM 1130 CA VAL A 76 12.165 -3.962 -1.989 1.00 0.00 C ATOM 1131 C VAL A 76 11.398 -4.164 -3.245 1.00 0.00 C ATOM 1132 O VAL A 76 10.776 -3.240 -3.768 1.00 0.00 O ATOM 1133 CB VAL A 76 12.991 -2.679 -2.178 1.00 0.00 C ATOM 1134 CG1 VAL A 76 13.650 -2.283 -0.870 1.00 0.00 C ATOM 1135 CG2 VAL A 76 14.028 -2.972 -3.255 1.00 0.00 C ATOM 0 H VAL A 76 13.879 -5.121 -2.320 1.00 0.00 H new ATOM 0 HA VAL A 76 11.506 -3.866 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 76 12.360 -1.843 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.232 -1.373 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.884 -2.106 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.308 -3.085 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.639 -2.085 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.665 -3.796 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.523 -3.245 -4.182 1.00 0.00 H new ATOM 1145 N GLU A 77 11.495 -5.367 -3.748 1.00 0.00 N ATOM 1146 CA GLU A 77 10.858 -5.693 -5.008 1.00 0.00 C ATOM 1147 C GLU A 77 10.852 -4.412 -5.807 1.00 0.00 C ATOM 1148 O GLU A 77 9.865 -4.047 -6.439 1.00 0.00 O ATOM 1149 CB GLU A 77 9.435 -6.204 -4.775 1.00 0.00 C ATOM 1150 CG GLU A 77 9.043 -6.255 -3.311 1.00 0.00 C ATOM 1151 CD GLU A 77 9.597 -7.475 -2.603 1.00 0.00 C ATOM 1152 OE1 GLU A 77 9.305 -8.604 -3.050 1.00 0.00 O ATOM 1153 OE2 GLU A 77 10.324 -7.303 -1.602 1.00 0.00 O ATOM 0 H GLU A 77 12.004 -6.136 -3.312 1.00 0.00 H new ATOM 0 HA GLU A 77 11.388 -6.486 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.735 -5.561 -5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.341 -7.202 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.401 -5.355 -2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.956 -6.254 -3.229 1.00 0.00 H new ATOM 1160 N ASN A 78 11.974 -3.699 -5.674 1.00 0.00 N ATOM 1161 CA ASN A 78 12.148 -2.388 -6.262 1.00 0.00 C ATOM 1162 C ASN A 78 10.891 -2.009 -7.002 1.00 0.00 C ATOM 1163 O ASN A 78 10.835 -1.987 -8.231 1.00 0.00 O ATOM 1164 CB ASN A 78 13.372 -2.285 -7.152 1.00 0.00 C ATOM 1165 CG ASN A 78 13.661 -0.831 -7.420 1.00 0.00 C ATOM 1166 OD1 ASN A 78 13.828 -0.043 -6.490 1.00 0.00 O ATOM 1167 ND2 ASN A 78 13.718 -0.463 -8.681 1.00 0.00 N ATOM 0 H ASN A 78 12.786 -4.026 -5.150 1.00 0.00 H new ATOM 0 HA ASN A 78 12.326 -1.681 -5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 78 14.229 -2.757 -6.671 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.202 -2.814 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.573 -1.151 -9.420 1.00 0.00 H new ATOM 1172 N HIS A 79 9.868 -1.773 -6.207 1.00 0.00 N ATOM 1173 CA HIS A 79 8.551 -1.457 -6.703 1.00 0.00 C ATOM 1174 C HIS A 79 8.558 -0.453 -7.825 1.00 0.00 C ATOM 1175 O HIS A 79 8.871 0.718 -7.651 1.00 0.00 O ATOM 1176 CB HIS A 79 7.663 -0.996 -5.559 1.00 0.00 C ATOM 1177 CG HIS A 79 7.554 -2.056 -4.529 1.00 0.00 C ATOM 1178 ND1 HIS A 79 6.863 -1.948 -3.352 1.00 0.00 N ATOM 1179 CD2 HIS A 79 8.094 -3.288 -4.541 1.00 0.00 C ATOM 1180 CE1 HIS A 79 7.001 -3.099 -2.690 1.00 0.00 C ATOM 1181 NE2 HIS A 79 7.743 -3.954 -3.370 1.00 0.00 N ATOM 0 H HIS A 79 9.931 -1.796 -5.189 1.00 0.00 H new ATOM 0 HA HIS A 79 8.144 -2.373 -7.132 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.073 -0.089 -5.115 1.00 0.00 H new ATOM 0 HB3 HIS A 79 6.672 -0.745 -5.938 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.703 -3.696 -5.334 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.563 -3.304 -1.724 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.004 -4.901 -3.096 1.00 0.00 H new ATOM 1189 N THR A 80 8.169 -0.938 -8.977 1.00 0.00 N ATOM 1190 CA THR A 80 8.073 -0.105 -10.159 1.00 0.00 C ATOM 1191 C THR A 80 6.639 0.369 -10.299 1.00 0.00 C ATOM 1192 O THR A 80 6.351 1.378 -10.945 1.00 0.00 O ATOM 1193 CB THR A 80 8.510 -0.880 -11.392 1.00 0.00 C ATOM 1194 OG1 THR A 80 7.419 -1.583 -11.958 1.00 0.00 O ATOM 1195 CG2 THR A 80 9.597 -1.878 -11.087 1.00 0.00 C ATOM 0 H THR A 80 7.911 -1.913 -9.126 1.00 0.00 H new ATOM 0 HA THR A 80 8.733 0.757 -10.061 1.00 0.00 H new ATOM 0 HB THR A 80 8.894 -0.139 -12.093 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.906 -2.018 -11.246 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.874 -2.405 -12.000 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.469 -1.357 -10.691 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.236 -2.595 -10.349 1.00 0.00 H new ATOM 1203 N ALA A 81 5.748 -0.377 -9.657 1.00 0.00 N ATOM 1204 CA ALA A 81 4.327 -0.066 -9.658 1.00 0.00 C ATOM 1205 C ALA A 81 3.701 -0.484 -8.337 1.00 0.00 C ATOM 1206 O ALA A 81 4.403 -0.858 -7.399 1.00 0.00 O ATOM 1207 CB ALA A 81 3.630 -0.759 -10.820 1.00 0.00 C ATOM 0 H ALA A 81 5.991 -1.212 -9.123 1.00 0.00 H new ATOM 0 HA ALA A 81 4.205 1.010 -9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.568 -0.515 -10.805 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.067 -0.421 -11.760 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.756 -1.838 -10.729 1.00 0.00 H new ATOM 1213 N CYS A 82 2.381 -0.421 -8.275 1.00 0.00 N ATOM 1214 CA CYS A 82 1.645 -0.803 -7.073 1.00 0.00 C ATOM 1215 C CYS A 82 0.144 -0.726 -7.322 1.00 0.00 C ATOM 1216 O CYS A 82 -0.335 0.192 -7.988 1.00 0.00 O ATOM 1217 CB CYS A 82 2.015 0.095 -5.894 1.00 0.00 C ATOM 1218 SG CYS A 82 2.239 -0.809 -4.326 1.00 0.00 S ATOM 0 H CYS A 82 1.791 -0.108 -9.046 1.00 0.00 H new ATOM 0 HA CYS A 82 1.918 -1.830 -6.828 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.936 0.629 -6.130 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.236 0.846 -5.762 1.00 0.00 H new ATOM 1223 N HIS A 83 -0.598 -1.685 -6.782 1.00 0.00 N ATOM 1224 CA HIS A 83 -2.044 -1.706 -6.952 1.00 0.00 C ATOM 1225 C HIS A 83 -2.745 -2.093 -5.654 1.00 0.00 C ATOM 1226 O HIS A 83 -2.584 -3.210 -5.160 1.00 0.00 O ATOM 1227 CB HIS A 83 -2.440 -2.680 -8.064 1.00 0.00 C ATOM 1228 CG HIS A 83 -2.237 -4.118 -7.702 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -3.277 -5.013 -7.561 1.00 0.00 N ATOM 1230 CD2 HIS A 83 -1.105 -4.818 -7.454 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -2.795 -6.200 -7.242 1.00 0.00 C ATOM 1232 NE2 HIS A 83 -1.480 -6.109 -7.171 1.00 0.00 N ATOM 0 H HIS A 83 -0.224 -2.454 -6.226 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.359 -0.700 -7.229 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.488 -2.522 -8.317 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.859 -2.454 -8.958 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.096 -4.433 -7.475 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.377 -7.093 -7.069 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.845 -6.874 -6.943 1.00 0.00 H new ATOM 1241 N CYS A 84 -3.527 -1.165 -5.107 1.00 0.00 N ATOM 1242 CA CYS A 84 -4.258 -1.411 -3.868 1.00 0.00 C ATOM 1243 C CYS A 84 -4.721 -2.862 -3.796 1.00 0.00 C ATOM 1244 O CYS A 84 -5.403 -3.348 -4.698 1.00 0.00 O ATOM 1245 CB CYS A 84 -5.469 -0.480 -3.772 1.00 0.00 C ATOM 1246 SG CYS A 84 -5.133 1.106 -2.935 1.00 0.00 S ATOM 0 H CYS A 84 -3.670 -0.236 -5.503 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.586 -1.213 -3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.836 -0.276 -4.778 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.268 -0.996 -3.240 1.00 0.00 H new ATOM 1251 N SER A 85 -4.351 -3.548 -2.720 1.00 0.00 N ATOM 1252 CA SER A 85 -4.732 -4.944 -2.533 1.00 0.00 C ATOM 1253 C SER A 85 -4.029 -5.542 -1.320 1.00 0.00 C ATOM 1254 O SER A 85 -2.847 -5.288 -1.090 1.00 0.00 O ATOM 1255 CB SER A 85 -4.397 -5.765 -3.781 1.00 0.00 C ATOM 1256 OG SER A 85 -4.963 -7.061 -3.703 1.00 0.00 O ATOM 0 H SER A 85 -3.787 -3.160 -1.963 1.00 0.00 H new ATOM 0 HA SER A 85 -5.808 -4.976 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.771 -5.254 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.315 -5.843 -3.890 1.00 0.00 H new ATOM 0 HG SER A 85 -4.737 -7.566 -4.512 1.00 0.00 H new ATOM 1262 N THR A 86 -4.763 -6.339 -0.548 1.00 0.00 N ATOM 1263 CA THR A 86 -4.212 -6.977 0.644 1.00 0.00 C ATOM 1264 C THR A 86 -2.713 -7.216 0.494 1.00 0.00 C ATOM 1265 O THR A 86 -2.266 -7.832 -0.473 1.00 0.00 O ATOM 1266 CB THR A 86 -4.925 -8.304 0.910 1.00 0.00 C ATOM 1267 OG1 THR A 86 -4.683 -9.222 -0.142 1.00 0.00 O ATOM 1268 CG2 THR A 86 -6.424 -8.160 1.058 1.00 0.00 C ATOM 0 H THR A 86 -5.743 -6.559 -0.727 1.00 0.00 H new ATOM 0 HA THR A 86 -4.371 -6.307 1.489 1.00 0.00 H new ATOM 0 HB THR A 86 -4.517 -8.667 1.853 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.823 -9.016 -0.565 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.867 -9.138 1.245 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.645 -7.496 1.894 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.842 -7.742 0.142 1.00 0.00 H new ATOM 1276 N CYS A 87 -1.941 -6.723 1.457 1.00 0.00 N ATOM 1277 CA CYS A 87 -0.492 -6.883 1.429 1.00 0.00 C ATOM 1278 C CYS A 87 0.098 -6.813 2.834 1.00 0.00 C ATOM 1279 O CYS A 87 -0.254 -5.939 3.626 1.00 0.00 O ATOM 1280 CB CYS A 87 0.147 -5.810 0.547 1.00 0.00 C ATOM 1281 SG CYS A 87 0.399 -4.214 1.387 1.00 0.00 S ATOM 0 H CYS A 87 -2.294 -6.210 2.265 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.275 -7.867 1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.109 -6.175 0.187 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -0.482 -5.652 -0.329 1.00 0.00 H new ATOM 1286 N TYR A 88 1.005 -7.738 3.129 1.00 0.00 N ATOM 1287 CA TYR A 88 1.661 -7.790 4.431 1.00 0.00 C ATOM 1288 C TYR A 88 2.879 -8.707 4.367 1.00 0.00 C ATOM 1289 O TYR A 88 2.826 -9.780 3.765 1.00 0.00 O ATOM 1290 CB TYR A 88 0.683 -8.277 5.505 1.00 0.00 C ATOM 1291 CG TYR A 88 1.115 -7.951 6.919 1.00 0.00 C ATOM 1292 CD1 TYR A 88 1.377 -6.640 7.304 1.00 0.00 C ATOM 1293 CD2 TYR A 88 1.258 -8.954 7.871 1.00 0.00 C ATOM 1294 CE1 TYR A 88 1.768 -6.340 8.595 1.00 0.00 C ATOM 1295 CE2 TYR A 88 1.649 -8.660 9.165 1.00 0.00 C ATOM 1296 CZ TYR A 88 1.903 -7.352 9.521 1.00 0.00 C ATOM 1297 OH TYR A 88 2.289 -7.055 10.808 1.00 0.00 O ATOM 0 H TYR A 88 1.304 -8.466 2.480 1.00 0.00 H new ATOM 0 HA TYR A 88 1.991 -6.786 4.696 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.295 -7.831 5.322 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.563 -9.356 5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.273 -5.844 6.582 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.061 -9.980 7.596 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.967 -5.317 8.877 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.755 -9.451 9.893 1.00 0.00 H new ATOM 0 HH TYR A 88 2.335 -7.880 11.334 1.00 0.00 H new ATOM 1307 N TYR A 89 3.978 -8.275 4.975 1.00 0.00 N ATOM 1308 CA TYR A 89 5.208 -9.058 4.969 1.00 0.00 C ATOM 1309 C TYR A 89 5.488 -9.656 6.344 1.00 0.00 C ATOM 1310 O TYR A 89 4.875 -9.269 7.338 1.00 0.00 O ATOM 1311 CB TYR A 89 6.388 -8.191 4.526 1.00 0.00 C ATOM 1312 CG TYR A 89 6.101 -7.363 3.292 1.00 0.00 C ATOM 1313 CD1 TYR A 89 5.139 -6.362 3.314 1.00 0.00 C ATOM 1314 CD2 TYR A 89 6.789 -7.585 2.105 1.00 0.00 C ATOM 1315 CE1 TYR A 89 4.871 -5.605 2.190 1.00 0.00 C ATOM 1316 CE2 TYR A 89 6.528 -6.832 0.976 1.00 0.00 C ATOM 1317 CZ TYR A 89 5.568 -5.843 1.025 1.00 0.00 C ATOM 1318 OH TYR A 89 5.303 -5.090 -0.096 1.00 0.00 O ATOM 0 H TYR A 89 4.043 -7.389 5.477 1.00 0.00 H new ATOM 0 HA TYR A 89 5.080 -9.876 4.261 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.666 -7.526 5.343 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.247 -8.833 4.331 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.591 -6.172 4.225 1.00 0.00 H new ATOM 0 HD2 TYR A 89 7.541 -8.359 2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.119 -4.831 2.224 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.072 -7.017 0.062 1.00 0.00 H new ATOM 0 HH TYR A 89 5.881 -5.383 -0.831 1.00 0.00 H new ATOM 1328 N HIS A 90 6.418 -10.605 6.388 1.00 0.00 N ATOM 1329 CA HIS A 90 6.784 -11.265 7.637 1.00 0.00 C ATOM 1330 C HIS A 90 7.981 -10.577 8.287 1.00 0.00 C ATOM 1331 O HIS A 90 8.897 -10.123 7.601 1.00 0.00 O ATOM 1332 CB HIS A 90 7.106 -12.738 7.378 1.00 0.00 C ATOM 1333 CG HIS A 90 6.340 -13.682 8.250 1.00 0.00 C ATOM 1334 ND1 HIS A 90 5.155 -13.345 8.871 1.00 0.00 N ATOM 1335 CD2 HIS A 90 6.594 -14.965 8.601 1.00 0.00 C ATOM 1336 CE1 HIS A 90 4.716 -14.378 9.567 1.00 0.00 C ATOM 1337 NE2 HIS A 90 5.570 -15.373 9.420 1.00 0.00 N ATOM 0 H HIS A 90 6.933 -10.935 5.572 1.00 0.00 H new ATOM 0 HA HIS A 90 5.937 -11.197 8.319 1.00 0.00 H new ATOM 0 HB2 HIS A 90 6.895 -12.969 6.334 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.173 -12.900 7.531 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.444 -15.557 8.294 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.811 -14.404 10.156 1.00 0.00 H new ATOM 0 HE2 HIS A 90 5.484 -16.296 9.846 1.00 0.00 H new ATOM 1346 N LYS A 91 7.966 -10.502 9.616 1.00 0.00 N ATOM 1347 CA LYS A 91 9.050 -9.867 10.360 1.00 0.00 C ATOM 1348 C LYS A 91 10.410 -10.359 9.875 1.00 0.00 C ATOM 1349 O LYS A 91 11.371 -9.592 9.809 1.00 0.00 O ATOM 1350 CB LYS A 91 8.900 -10.142 11.859 1.00 0.00 C ATOM 1351 CG LYS A 91 8.720 -8.885 12.694 1.00 0.00 C ATOM 1352 CD LYS A 91 9.880 -8.683 13.658 1.00 0.00 C ATOM 1353 CE LYS A 91 9.409 -8.685 15.105 1.00 0.00 C ATOM 1354 NZ LYS A 91 8.438 -7.588 15.374 1.00 0.00 N ATOM 0 H LYS A 91 7.216 -10.873 10.199 1.00 0.00 H new ATOM 0 HA LYS A 91 8.991 -8.793 10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.043 -10.798 12.015 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.781 -10.679 12.211 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.637 -8.019 12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.787 -8.950 13.254 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.617 -9.473 13.513 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.378 -7.739 13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.946 -9.645 15.335 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.269 -8.580 15.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.461 -7.344 16.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.694 -6.752 14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.481 -7.901 15.115 1.00 0.00 H new ATOM 1368 N SER A 92 10.486 -11.643 9.541 1.00 0.00 N ATOM 1369 CA SER A 92 11.730 -12.237 9.066 1.00 0.00 C ATOM 1370 C SER A 92 11.919 -11.989 7.572 1.00 0.00 C ATOM 1371 O SER A 92 12.259 -10.845 7.201 1.00 0.00 O ATOM 1372 CB SER A 92 11.743 -13.739 9.351 1.00 0.00 C ATOM 1373 OG SER A 92 13.019 -14.296 9.089 1.00 0.00 O ATOM 1374 OXT SER A 92 11.729 -12.940 6.785 1.00 0.00 O ATOM 0 H SER A 92 9.701 -12.292 9.591 1.00 0.00 H new ATOM 0 HA SER A 92 12.555 -11.765 9.600 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.471 -13.917 10.391 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.993 -14.236 8.736 1.00 0.00 H new ATOM 0 HG SER A 92 13.002 -15.257 9.280 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 -18.764 -11.161 10.834 1.00 0.00 C HETATM 1382 C2 NAG A1052 -17.996 -12.473 10.947 1.00 0.00 C HETATM 1383 C3 NAG A1052 -17.530 -12.697 12.373 1.00 0.00 C HETATM 1384 C4 NAG A1052 -16.769 -11.486 12.874 1.00 0.00 C HETATM 1385 C5 NAG A1052 -17.587 -10.219 12.677 1.00 0.00 C HETATM 1386 C6 NAG A1052 -16.818 -8.971 13.059 1.00 0.00 C HETATM 1387 C7 NAG A1052 -19.976 -13.819 11.229 1.00 0.00 C HETATM 1388 C8 NAG A1052 -20.832 -14.985 10.763 1.00 0.00 C HETATM 1389 N2 NAG A1052 -18.859 -13.571 10.553 1.00 0.00 N HETATM 1390 O3 NAG A1052 -16.678 -13.833 12.413 1.00 0.00 O HETATM 1391 O4 NAG A1052 -16.496 -11.650 14.258 1.00 0.00 O HETATM 1392 O5 NAG A1052 -17.972 -10.063 11.299 1.00 0.00 O HETATM 1393 O6 NAG A1052 -17.621 -7.810 12.918 1.00 0.00 O HETATM 1394 O7 NAG A1052 -20.331 -13.150 12.200 1.00 0.00 O HETATM 0 HO6 NAG A1052 -18.226 -7.921 12.155 1.00 0.00 H new HETATM 0 HO4 NAG A1052 -15.755 -11.063 14.517 1.00 0.00 H new HETATM 0 HO3 NAG A1052 -16.373 -13.981 13.332 1.00 0.00 H new HETATM 0 HN2 NAG A1052 -18.608 -14.154 9.755 1.00 0.00 H new HETATM 0 H83 NAG A1052 -21.149 -14.815 9.734 1.00 0.00 H new HETATM 0 H82 NAG A1052 -20.252 -15.906 10.816 1.00 0.00 H new HETATM 0 H81 NAG A1052 -21.710 -15.071 11.404 1.00 0.00 H new HETATM 0 H62 NAG A1052 -16.473 -9.055 14.090 1.00 0.00 H new HETATM 0 H61 NAG A1052 -15.931 -8.881 12.432 1.00 0.00 H new HETATM 0 H5 NAG A1052 -18.459 -10.330 13.322 1.00 0.00 H new HETATM 0 H4 NAG A1052 -15.840 -11.397 12.310 1.00 0.00 H new HETATM 0 H3 NAG A1052 -18.400 -12.858 13.010 1.00 0.00 H new HETATM 0 H2 NAG A1052 -17.125 -12.425 10.293 1.00 0.00 H new HETATM 1404 C1 NAG A1078 13.862 0.934 -9.010 1.00 0.00 C HETATM 1405 C2 NAG A1078 15.144 1.151 -9.806 1.00 0.00 C HETATM 1406 C3 NAG A1078 15.254 2.596 -10.256 1.00 0.00 C HETATM 1407 C4 NAG A1078 13.996 3.019 -10.988 1.00 0.00 C HETATM 1408 C5 NAG A1078 12.766 2.735 -10.140 1.00 0.00 C HETATM 1409 C6 NAG A1078 11.477 3.033 -10.877 1.00 0.00 C HETATM 1410 C7 NAG A1078 17.147 -0.109 -9.362 1.00 0.00 C HETATM 1411 C8 NAG A1078 18.335 -0.379 -8.454 1.00 0.00 C HETATM 1412 N2 NAG A1078 16.289 0.828 -8.979 1.00 0.00 N HETATM 1413 O3 NAG A1078 16.368 2.731 -11.124 1.00 0.00 O HETATM 1414 O4 NAG A1078 14.062 4.410 -11.267 1.00 0.00 O HETATM 1415 O5 NAG A1078 12.713 1.352 -9.761 1.00 0.00 O HETATM 1416 O6 NAG A1078 11.350 2.225 -12.037 1.00 0.00 O HETATM 1417 O7 NAG A1078 17.014 -0.751 -10.403 1.00 0.00 O HETATM 0 HO6 NAG A1078 11.816 1.375 -11.896 1.00 0.00 H new HETATM 0 HO4 NAG A1078 13.441 4.628 -11.993 1.00 0.00 H new HETATM 0 HO3 NAG A1078 16.442 3.663 -11.419 1.00 0.00 H new HETATM 0 HN2 NAG A1078 16.436 1.323 -8.099 1.00 0.00 H new HETATM 0 H83 NAG A1078 18.927 0.530 -8.349 1.00 0.00 H new HETATM 0 H82 NAG A1078 17.979 -0.695 -7.474 1.00 0.00 H new HETATM 0 H81 NAG A1078 18.953 -1.166 -8.887 1.00 0.00 H new HETATM 0 H62 NAG A1078 10.628 2.860 -10.215 1.00 0.00 H new HETATM 0 H61 NAG A1078 11.451 4.086 -11.159 1.00 0.00 H new HETATM 0 H5 NAG A1078 12.855 3.383 -9.268 1.00 0.00 H new HETATM 0 H4 NAG A1078 13.922 2.454 -11.917 1.00 0.00 H new HETATM 0 H3 NAG A1078 15.383 3.231 -9.379 1.00 0.00 H new HETATM 0 H2 NAG A1078 15.120 0.504 -10.683 1.00 0.00 H new