USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 750 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 32 LYS NZ :NH3+ -141:sc= -0.188 (180deg=0) USER MOD Set 1.2: A 35 GLN : amide:sc= -6.2! C(o=-6.4!,f=-7.7!) USER MOD Set 1.3: A 36 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 23 HIS : no HD1:sc= -6.94! C(o=-14!,f=-24!) USER MOD Set 2.2: A 24 HIS : no HE2:sc= -6.81! C(o=-14!,f=-16!) USER MOD Set 3.1: A 7 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Set 3.2: A 9 LYS NZ :NH3+ -162:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -93:sc= -1.12! USER MOD Single : A 14 CYS SG : rot -50:sc= -5.61! USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 25 THR OG1 : rot 83:sc= -4.66! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.021) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= -1.12! (180deg=-4.82!) USER MOD Single : A 44 HIS : no HD1:sc= -7.94! C(o=-7.9!,f=-8.4!) USER MOD Single : A 48 ASN : amide:sc= -4 K(o=-4,f=-9!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.119 USER MOD Single : A 55 MET CE :methyl 156:sc= -20.6! (180deg=-21.5!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0165 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -1:sc= -6.03! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -3.46! C(o=-3.5!,f=-3.6!) USER MOD Single : A 77 MET CE :methyl -126:sc= -0.641 (180deg=-3.93!) USER MOD Single : A 80 CYS SG : rot -60:sc= -9.2! USER MOD Single : A 83 SER OG : rot 170:sc= 0.52 USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0772) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc=-0.00144 X(o=-0.0014,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -7.05! C(o=-7!,f=-11!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.923 -14.207 -0.555 1.00 0.00 N ATOM 12 CA LEU A 2 -7.969 -13.136 -0.327 1.00 0.00 C ATOM 13 C LEU A 2 -6.549 -13.679 -0.496 1.00 0.00 C ATOM 14 O LEU A 2 -6.260 -14.806 -0.094 1.00 0.00 O ATOM 15 CB LEU A 2 -8.218 -12.475 1.030 1.00 0.00 C ATOM 16 CG LEU A 2 -7.029 -11.730 1.642 1.00 0.00 C ATOM 17 CD1 LEU A 2 -7.461 -10.921 2.866 1.00 0.00 C ATOM 18 CD2 LEU A 2 -5.886 -12.695 1.965 1.00 0.00 C ATOM 0 HA LEU A 2 -8.099 -12.347 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.045 -11.773 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.540 -13.244 1.733 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.653 -11.021 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.598 -10.401 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.216 -10.192 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.877 -11.592 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.054 -12.141 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.233 -13.445 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.557 -13.188 1.050 1.00 0.00 H new ATOM 29 N GLY A 3 -5.700 -12.854 -1.090 1.00 0.00 N ATOM 30 CA GLY A 3 -4.316 -13.237 -1.315 1.00 0.00 C ATOM 31 C GLY A 3 -3.359 -12.304 -0.571 1.00 0.00 C ATOM 32 O GLY A 3 -3.794 -11.451 0.201 1.00 0.00 O ATOM 0 H GLY A 3 -5.944 -11.921 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.161 -14.263 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.097 -13.212 -2.383 1.00 0.00 H new ATOM 36 N ILE A 4 -2.075 -12.497 -0.830 1.00 0.00 N ATOM 37 CA ILE A 4 -1.053 -11.684 -0.194 1.00 0.00 C ATOM 38 C ILE A 4 0.321 -12.086 -0.732 1.00 0.00 C ATOM 39 O ILE A 4 0.648 -13.271 -0.787 1.00 0.00 O ATOM 40 CB ILE A 4 -1.167 -11.773 1.329 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.834 -10.431 1.983 1.00 0.00 C ATOM 42 CG2 ILE A 4 -0.302 -12.909 1.878 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.186 -9.652 1.151 1.00 0.00 C ATOM 0 H ILE A 4 -1.719 -13.205 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.197 -10.632 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.202 -12.006 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.744 -9.841 2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.439 -10.599 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.401 -12.950 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.628 -13.856 1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.741 -12.732 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.404 -8.702 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.103 -10.234 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.222 -9.464 0.158 1.00 0.00 H new ATOM 54 N ASP A 5 1.090 -11.078 -1.116 1.00 0.00 N ATOM 55 CA ASP A 5 2.422 -11.311 -1.647 1.00 0.00 C ATOM 56 C ASP A 5 3.363 -10.208 -1.158 1.00 0.00 C ATOM 57 O ASP A 5 2.971 -9.046 -1.074 1.00 0.00 O ATOM 58 CB ASP A 5 2.417 -11.284 -3.177 1.00 0.00 C ATOM 59 CG ASP A 5 2.970 -12.543 -3.849 1.00 0.00 C ATOM 60 OD1 ASP A 5 3.817 -13.250 -3.282 1.00 0.00 O ATOM 61 OD2 ASP A 5 2.489 -12.793 -5.019 1.00 0.00 O ATOM 0 H ASP A 5 0.816 -10.097 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 5 2.755 -12.291 -1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.394 -11.128 -3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.000 -10.426 -3.512 1.00 0.00 H new ATOM 66 N MET A 6 4.586 -10.612 -0.848 1.00 0.00 N ATOM 67 CA MET A 6 5.586 -9.673 -0.369 1.00 0.00 C ATOM 68 C MET A 6 6.922 -9.882 -1.086 1.00 0.00 C ATOM 69 O MET A 6 7.379 -11.013 -1.237 1.00 0.00 O ATOM 70 CB MET A 6 5.780 -9.858 1.137 1.00 0.00 C ATOM 71 CG MET A 6 4.473 -9.610 1.893 1.00 0.00 C ATOM 72 SD MET A 6 4.469 -10.530 3.424 1.00 0.00 S ATOM 73 CE MET A 6 2.860 -11.295 3.320 1.00 0.00 C ATOM 0 H MET A 6 4.907 -11.577 -0.919 1.00 0.00 H new ATOM 0 HA MET A 6 5.237 -8.662 -0.578 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.136 -10.868 1.340 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.547 -9.172 1.495 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.358 -8.546 2.098 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.625 -9.909 1.277 1.00 0.00 H new ATOM 0 HE1 MET A 6 2.692 -11.911 4.203 1.00 0.00 H new ATOM 0 HE2 MET A 6 2.093 -10.523 3.265 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.811 -11.919 2.428 1.00 0.00 H new ATOM 81 N ASN A 7 7.510 -8.772 -1.509 1.00 0.00 N ATOM 82 CA ASN A 7 8.784 -8.819 -2.206 1.00 0.00 C ATOM 83 C ASN A 7 9.677 -7.684 -1.702 1.00 0.00 C ATOM 84 O ASN A 7 9.191 -6.726 -1.102 1.00 0.00 O ATOM 85 CB ASN A 7 8.593 -8.637 -3.713 1.00 0.00 C ATOM 86 CG ASN A 7 8.963 -9.915 -4.470 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.145 -10.791 -4.698 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.238 -9.971 -4.845 1.00 0.00 N ATOM 0 H ASN A 7 7.127 -7.835 -1.382 1.00 0.00 H new ATOM 0 HA ASN A 7 9.239 -9.791 -2.015 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.557 -8.373 -3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.210 -7.810 -4.064 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.584 -10.783 -5.356 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.870 -9.202 -4.621 1.00 0.00 H new ATOM 94 N VAL A 8 10.968 -7.828 -1.965 1.00 0.00 N ATOM 95 CA VAL A 8 11.934 -6.828 -1.546 1.00 0.00 C ATOM 96 C VAL A 8 12.795 -6.423 -2.744 1.00 0.00 C ATOM 97 O VAL A 8 13.242 -7.277 -3.508 1.00 0.00 O ATOM 98 CB VAL A 8 12.757 -7.355 -0.369 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.236 -7.469 -0.742 1.00 0.00 C ATOM 100 CG2 VAL A 8 12.569 -6.475 0.869 1.00 0.00 C ATOM 0 H VAL A 8 11.367 -8.623 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 8 11.425 -5.931 -1.193 1.00 0.00 H new ATOM 0 HB VAL A 8 12.395 -8.354 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.799 -7.846 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.348 -8.155 -1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.617 -6.487 -1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.165 -6.872 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.891 -5.458 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.517 -6.468 1.154 1.00 0.00 H new ATOM 110 N LYS A 9 13.002 -5.120 -2.871 1.00 0.00 N ATOM 111 CA LYS A 9 13.801 -4.593 -3.963 1.00 0.00 C ATOM 112 C LYS A 9 14.709 -3.481 -3.434 1.00 0.00 C ATOM 113 O LYS A 9 14.246 -2.375 -3.160 1.00 0.00 O ATOM 114 CB LYS A 9 12.903 -4.154 -5.122 1.00 0.00 C ATOM 115 CG LYS A 9 11.487 -4.708 -4.957 1.00 0.00 C ATOM 116 CD LYS A 9 11.418 -6.176 -5.384 1.00 0.00 C ATOM 117 CE LYS A 9 10.758 -6.317 -6.757 1.00 0.00 C ATOM 118 NZ LYS A 9 10.693 -7.741 -7.156 1.00 0.00 N ATOM 0 H LYS A 9 12.630 -4.414 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 9 14.449 -5.369 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.869 -3.066 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.325 -4.500 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.175 -4.613 -3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.791 -4.119 -5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.423 -6.597 -5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.855 -6.747 -4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.754 -5.895 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.322 -5.751 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.535 -7.807 -8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.588 -8.211 -6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.910 -8.207 -6.654 1.00 0.00 H new ATOM 127 N GLU A 10 15.986 -3.813 -3.308 1.00 0.00 N ATOM 128 CA GLU A 10 16.962 -2.856 -2.816 1.00 0.00 C ATOM 129 C GLU A 10 16.633 -2.453 -1.378 1.00 0.00 C ATOM 130 O GLU A 10 17.526 -2.106 -0.606 1.00 0.00 O ATOM 131 CB GLU A 10 17.035 -1.629 -3.728 1.00 0.00 C ATOM 132 CG GLU A 10 17.712 -0.457 -3.015 1.00 0.00 C ATOM 133 CD GLU A 10 18.594 0.337 -3.981 1.00 0.00 C ATOM 134 OE1 GLU A 10 18.886 -0.140 -5.088 1.00 0.00 O ATOM 135 OE2 GLU A 10 18.975 1.490 -3.548 1.00 0.00 O ATOM 0 H GLU A 10 16.367 -4.731 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 10 17.943 -3.331 -2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.588 -1.877 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.030 -1.340 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.954 0.199 -2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.316 -0.830 -2.188 1.00 0.00 H new ATOM 141 N SER A 11 15.347 -2.510 -1.060 1.00 0.00 N ATOM 142 CA SER A 11 14.889 -2.154 0.271 1.00 0.00 C ATOM 143 C SER A 11 13.379 -1.907 0.256 1.00 0.00 C ATOM 144 O SER A 11 12.782 -1.631 1.295 1.00 0.00 O ATOM 145 CB SER A 11 15.624 -0.919 0.795 1.00 0.00 C ATOM 146 OG SER A 11 16.358 -0.259 -0.232 1.00 0.00 O ATOM 0 H SER A 11 14.609 -2.798 -1.702 1.00 0.00 H new ATOM 0 HA SER A 11 15.108 -2.985 0.942 1.00 0.00 H new ATOM 0 HB2 SER A 11 14.904 -0.225 1.229 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.304 -1.214 1.594 1.00 0.00 H new ATOM 0 HG SER A 11 17.278 -0.596 -0.245 1.00 0.00 H new ATOM 151 N VAL A 12 12.807 -2.013 -0.933 1.00 0.00 N ATOM 152 CA VAL A 12 11.378 -1.804 -1.098 1.00 0.00 C ATOM 153 C VAL A 12 10.644 -3.126 -0.869 1.00 0.00 C ATOM 154 O VAL A 12 10.962 -4.135 -1.497 1.00 0.00 O ATOM 155 CB VAL A 12 11.093 -1.192 -2.471 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.282 -2.227 -3.582 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.690 -0.585 -2.520 1.00 0.00 C ATOM 0 H VAL A 12 13.307 -2.241 -1.793 1.00 0.00 H new ATOM 0 HA VAL A 12 11.008 -1.094 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 12 11.811 -0.389 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.073 -1.766 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.309 -2.592 -3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.599 -3.061 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.513 -0.157 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.951 -1.361 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.605 0.196 -1.765 1.00 0.00 H new ATOM 167 N LEU A 13 9.674 -3.080 0.034 1.00 0.00 N ATOM 168 CA LEU A 13 8.892 -4.263 0.353 1.00 0.00 C ATOM 169 C LEU A 13 7.585 -4.233 -0.440 1.00 0.00 C ATOM 170 O LEU A 13 6.643 -3.536 -0.066 1.00 0.00 O ATOM 171 CB LEU A 13 8.691 -4.379 1.866 1.00 0.00 C ATOM 172 CG LEU A 13 9.244 -3.226 2.706 1.00 0.00 C ATOM 173 CD1 LEU A 13 8.194 -2.128 2.887 1.00 0.00 C ATOM 174 CD2 LEU A 13 9.780 -3.733 4.047 1.00 0.00 C ATOM 0 H LEU A 13 9.412 -2.243 0.554 1.00 0.00 H new ATOM 0 HA LEU A 13 9.426 -5.165 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.623 -4.468 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.156 -5.305 2.205 1.00 0.00 H new ATOM 0 HG LEU A 13 10.084 -2.784 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.612 -1.320 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.901 -1.740 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.320 -2.540 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.167 -2.894 4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.975 -4.215 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.580 -4.452 3.871 1.00 0.00 H new ATOM 185 N CYS A 14 7.569 -4.999 -1.522 1.00 0.00 N ATOM 186 CA CYS A 14 6.393 -5.070 -2.371 1.00 0.00 C ATOM 187 C CYS A 14 5.318 -5.876 -1.637 1.00 0.00 C ATOM 188 O CYS A 14 5.620 -6.879 -0.993 1.00 0.00 O ATOM 189 CB CYS A 14 6.718 -5.669 -3.740 1.00 0.00 C ATOM 190 SG CYS A 14 8.483 -5.396 -4.140 1.00 0.00 S ATOM 0 H CYS A 14 8.352 -5.576 -1.829 1.00 0.00 H new ATOM 0 HA CYS A 14 6.022 -4.064 -2.566 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.497 -6.736 -3.741 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.089 -5.213 -4.504 1.00 0.00 H new ATOM 0 HG CYS A 14 8.780 -4.144 -3.958 1.00 0.00 H new ATOM 195 N ILE A 15 4.085 -5.405 -1.760 1.00 0.00 N ATOM 196 CA ILE A 15 2.964 -6.069 -1.116 1.00 0.00 C ATOM 197 C ILE A 15 1.843 -6.272 -2.137 1.00 0.00 C ATOM 198 O ILE A 15 1.052 -5.362 -2.385 1.00 0.00 O ATOM 199 CB ILE A 15 2.529 -5.297 0.131 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.202 -5.856 1.385 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.004 -5.278 0.259 1.00 0.00 C ATOM 202 CD1 ILE A 15 4.720 -5.678 1.317 1.00 0.00 C ATOM 0 H ILE A 15 3.838 -4.573 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 15 3.257 -7.058 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 15 2.857 -4.263 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.812 -5.350 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.960 -6.914 1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.721 -4.723 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.571 -4.797 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.632 -6.300 0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.175 -6.084 2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.110 -6.206 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.959 -4.618 1.235 1.00 0.00 H new ATOM 213 N ARG A 16 1.808 -7.470 -2.701 1.00 0.00 N ATOM 214 CA ARG A 16 0.797 -7.803 -3.690 1.00 0.00 C ATOM 215 C ARG A 16 -0.379 -8.521 -3.023 1.00 0.00 C ATOM 216 O ARG A 16 -0.292 -9.708 -2.715 1.00 0.00 O ATOM 217 CB ARG A 16 1.375 -8.698 -4.789 1.00 0.00 C ATOM 218 CG ARG A 16 1.285 -8.014 -6.155 1.00 0.00 C ATOM 219 CD ARG A 16 2.627 -8.073 -6.886 1.00 0.00 C ATOM 220 NE ARG A 16 2.411 -7.985 -8.348 1.00 0.00 N ATOM 221 CZ ARG A 16 3.343 -8.303 -9.272 1.00 0.00 C ATOM 222 NH1 ARG A 16 4.564 -8.734 -8.892 1.00 0.00 N ATOM 223 NH2 ARG A 16 3.041 -8.185 -10.552 1.00 0.00 N ATOM 0 H ARG A 16 2.464 -8.223 -2.492 1.00 0.00 H new ATOM 0 HA ARG A 16 0.452 -6.872 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.415 -8.932 -4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.834 -9.644 -4.815 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.517 -8.498 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.982 -6.975 -6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.267 -7.255 -6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.143 -9.001 -6.641 1.00 0.00 H new ATOM 0 HE ARG A 16 1.501 -7.664 -8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.788 -8.822 -7.901 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.263 -8.972 -9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.116 -7.858 -10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.733 -8.421 -11.263 1.00 0.00 H new ATOM 233 N LEU A 17 -1.452 -7.769 -2.822 1.00 0.00 N ATOM 234 CA LEU A 17 -2.644 -8.319 -2.199 1.00 0.00 C ATOM 235 C LEU A 17 -3.678 -8.639 -3.281 1.00 0.00 C ATOM 236 O LEU A 17 -3.972 -7.801 -4.132 1.00 0.00 O ATOM 237 CB LEU A 17 -3.163 -7.375 -1.112 1.00 0.00 C ATOM 238 CG LEU A 17 -4.178 -7.972 -0.135 1.00 0.00 C ATOM 239 CD1 LEU A 17 -5.285 -8.717 -0.881 1.00 0.00 C ATOM 240 CD2 LEU A 17 -3.485 -8.862 0.900 1.00 0.00 C ATOM 0 H LEU A 17 -1.520 -6.784 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.412 -9.256 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.311 -7.007 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.619 -6.511 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.651 -7.154 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.993 -9.131 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.805 -8.026 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.848 -9.525 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.229 -9.274 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.968 -9.676 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.764 -8.270 1.464 1.00 0.00 H new ATOM 251 N THR A 18 -4.202 -9.854 -3.211 1.00 0.00 N ATOM 252 CA THR A 18 -5.197 -10.295 -4.173 1.00 0.00 C ATOM 253 C THR A 18 -6.405 -10.895 -3.453 1.00 0.00 C ATOM 254 O THR A 18 -6.301 -11.952 -2.831 1.00 0.00 O ATOM 255 CB THR A 18 -4.520 -11.270 -5.140 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.546 -11.933 -4.339 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.696 -10.554 -6.212 1.00 0.00 C ATOM 0 H THR A 18 -3.956 -10.546 -2.503 1.00 0.00 H new ATOM 0 HA THR A 18 -5.586 -9.457 -4.752 1.00 0.00 H new ATOM 0 HB THR A 18 -5.277 -11.891 -5.619 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.061 -12.585 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.237 -11.291 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.346 -9.901 -6.794 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.917 -9.959 -5.735 1.00 0.00 H new ATOM 265 N GLY A 19 -7.526 -10.196 -3.561 1.00 0.00 N ATOM 266 CA GLY A 19 -8.753 -10.647 -2.928 1.00 0.00 C ATOM 267 C GLY A 19 -9.666 -9.464 -2.599 1.00 0.00 C ATOM 268 O GLY A 19 -10.166 -8.792 -3.500 1.00 0.00 O ATOM 0 H GLY A 19 -7.610 -9.321 -4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.274 -11.340 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.516 -11.193 -2.015 1.00 0.00 H new ATOM 272 N GLU A 20 -9.856 -9.246 -1.306 1.00 0.00 N ATOM 273 CA GLU A 20 -10.701 -8.157 -0.847 1.00 0.00 C ATOM 274 C GLU A 20 -9.922 -7.246 0.105 1.00 0.00 C ATOM 275 O GLU A 20 -8.915 -7.657 0.678 1.00 0.00 O ATOM 276 CB GLU A 20 -11.969 -8.690 -0.178 1.00 0.00 C ATOM 277 CG GLU A 20 -13.193 -8.472 -1.072 1.00 0.00 C ATOM 278 CD GLU A 20 -13.715 -9.802 -1.618 1.00 0.00 C ATOM 279 OE1 GLU A 20 -14.804 -10.248 -1.227 1.00 0.00 O ATOM 280 OE2 GLU A 20 -12.947 -10.377 -2.482 1.00 0.00 O ATOM 0 H GLU A 20 -9.439 -9.805 -0.562 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.006 -7.571 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.854 -9.753 0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.118 -8.189 0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.979 -7.974 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.931 -7.813 -1.899 1.00 0.00 H new ATOM 286 N LEU A 21 -10.417 -6.024 0.242 1.00 0.00 N ATOM 287 CA LEU A 21 -9.781 -5.052 1.113 1.00 0.00 C ATOM 288 C LEU A 21 -10.786 -4.581 2.166 1.00 0.00 C ATOM 289 O LEU A 21 -11.402 -3.527 2.013 1.00 0.00 O ATOM 290 CB LEU A 21 -9.171 -3.914 0.292 1.00 0.00 C ATOM 291 CG LEU A 21 -8.685 -2.699 1.085 1.00 0.00 C ATOM 292 CD1 LEU A 21 -9.620 -1.504 0.884 1.00 0.00 C ATOM 293 CD2 LEU A 21 -8.509 -3.045 2.565 1.00 0.00 C ATOM 0 H LEU A 21 -11.252 -5.686 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.949 -5.509 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.330 -4.313 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.913 -3.577 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.706 -2.411 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.252 -0.654 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.652 -1.241 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.622 -1.765 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.163 -2.164 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.463 -3.373 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.775 -3.845 2.667 1.00 0.00 H new ATOM 304 N ASP A 22 -10.920 -5.384 3.211 1.00 0.00 N ATOM 305 CA ASP A 22 -11.841 -5.062 4.288 1.00 0.00 C ATOM 306 C ASP A 22 -11.160 -5.332 5.632 1.00 0.00 C ATOM 307 O ASP A 22 -10.039 -5.835 5.674 1.00 0.00 O ATOM 308 CB ASP A 22 -13.100 -5.928 4.214 1.00 0.00 C ATOM 309 CG ASP A 22 -13.108 -6.961 3.086 1.00 0.00 C ATOM 310 OD1 ASP A 22 -13.419 -8.142 3.304 1.00 0.00 O ATOM 311 OD2 ASP A 22 -12.773 -6.507 1.927 1.00 0.00 O ATOM 0 H ASP A 22 -10.407 -6.257 3.335 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.119 -4.013 4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.221 -6.448 5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.965 -5.276 4.095 1.00 0.00 H new ATOM 316 N HIS A 23 -11.867 -4.985 6.698 1.00 0.00 N ATOM 317 CA HIS A 23 -11.345 -5.184 8.038 1.00 0.00 C ATOM 318 C HIS A 23 -10.871 -6.630 8.196 1.00 0.00 C ATOM 319 O HIS A 23 -10.102 -6.939 9.105 1.00 0.00 O ATOM 320 CB HIS A 23 -12.382 -4.782 9.090 1.00 0.00 C ATOM 321 CG HIS A 23 -13.273 -5.916 9.538 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.068 -6.609 10.719 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.375 -6.469 8.954 1.00 0.00 C ATOM 324 CE1 HIS A 23 -14.008 -7.536 10.828 1.00 0.00 C ATOM 325 NE2 HIS A 23 -14.816 -7.448 9.733 1.00 0.00 N ATOM 0 H HIS A 23 -12.797 -4.567 6.660 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.482 -4.537 8.195 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.864 -4.375 9.959 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.004 -3.983 8.686 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.814 -6.162 8.016 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.116 -8.238 11.641 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.626 -8.038 9.544 1.00 0.00 H new ATOM 332 N HIS A 24 -11.349 -7.477 7.297 1.00 0.00 N ATOM 333 CA HIS A 24 -10.984 -8.883 7.324 1.00 0.00 C ATOM 334 C HIS A 24 -9.689 -9.092 6.536 1.00 0.00 C ATOM 335 O HIS A 24 -8.779 -9.778 7.001 1.00 0.00 O ATOM 336 CB HIS A 24 -12.134 -9.753 6.815 1.00 0.00 C ATOM 337 CG HIS A 24 -13.237 -9.965 7.825 1.00 0.00 C ATOM 338 ND1 HIS A 24 -13.211 -10.984 8.761 1.00 0.00 N ATOM 339 CD2 HIS A 24 -14.397 -9.279 8.034 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.310 -10.905 9.495 1.00 0.00 C ATOM 341 NE2 HIS A 24 -15.045 -9.849 9.044 1.00 0.00 N ATOM 0 H HIS A 24 -11.987 -7.217 6.545 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.798 -9.194 8.352 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.557 -9.293 5.922 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.737 -10.723 6.516 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.471 -11.678 8.867 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.732 -8.419 7.474 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -14.578 -11.562 10.309 1.00 0.00 H new ATOM 348 N THR A 25 -9.647 -8.488 5.357 1.00 0.00 N ATOM 349 CA THR A 25 -8.479 -8.600 4.501 1.00 0.00 C ATOM 350 C THR A 25 -7.379 -7.645 4.971 1.00 0.00 C ATOM 351 O THR A 25 -6.194 -7.958 4.869 1.00 0.00 O ATOM 352 CB THR A 25 -8.924 -8.351 3.058 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.961 -6.931 2.947 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.372 -8.782 2.810 1.00 0.00 C ATOM 0 H THR A 25 -10.403 -7.920 4.975 1.00 0.00 H new ATOM 0 HA THR A 25 -8.044 -9.598 4.555 1.00 0.00 H new ATOM 0 HB THR A 25 -8.264 -8.887 2.376 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.060 -6.594 2.760 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.638 -8.584 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.474 -9.848 3.014 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.036 -8.221 3.468 1.00 0.00 H new ATOM 362 N ALA A 26 -7.812 -6.498 5.475 1.00 0.00 N ATOM 363 CA ALA A 26 -6.880 -5.496 5.961 1.00 0.00 C ATOM 364 C ALA A 26 -6.016 -6.102 7.069 1.00 0.00 C ATOM 365 O ALA A 26 -4.889 -5.664 7.293 1.00 0.00 O ATOM 366 CB ALA A 26 -7.656 -4.264 6.434 1.00 0.00 C ATOM 0 H ALA A 26 -8.796 -6.241 5.557 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.212 -5.174 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.957 -3.512 6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.229 -3.854 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.335 -4.548 7.238 1.00 0.00 H new ATOM 372 N GLU A 27 -6.578 -7.102 7.733 1.00 0.00 N ATOM 373 CA GLU A 27 -5.873 -7.773 8.811 1.00 0.00 C ATOM 374 C GLU A 27 -4.477 -8.196 8.352 1.00 0.00 C ATOM 375 O GLU A 27 -3.482 -7.876 9.001 1.00 0.00 O ATOM 376 CB GLU A 27 -6.669 -8.976 9.322 1.00 0.00 C ATOM 377 CG GLU A 27 -6.818 -8.929 10.843 1.00 0.00 C ATOM 378 CD GLU A 27 -8.196 -8.396 11.244 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.182 -8.628 10.530 1.00 0.00 O ATOM 380 OE2 GLU A 27 -8.219 -7.717 12.341 1.00 0.00 O ATOM 0 H GLU A 27 -7.513 -7.463 7.545 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.765 -7.072 9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.655 -8.988 8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.167 -9.899 9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.676 -9.927 11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.041 -8.294 11.269 1.00 0.00 H new ATOM 386 N THR A 28 -4.447 -8.907 7.234 1.00 0.00 N ATOM 387 CA THR A 28 -3.188 -9.376 6.679 1.00 0.00 C ATOM 388 C THR A 28 -2.149 -8.253 6.688 1.00 0.00 C ATOM 389 O THR A 28 -0.990 -8.477 7.031 1.00 0.00 O ATOM 390 CB THR A 28 -3.466 -9.935 5.282 1.00 0.00 C ATOM 391 OG1 THR A 28 -2.576 -11.041 5.167 1.00 0.00 O ATOM 392 CG2 THR A 28 -3.022 -8.982 4.171 1.00 0.00 C ATOM 0 H THR A 28 -5.274 -9.170 6.698 1.00 0.00 H new ATOM 0 HA THR A 28 -2.762 -10.175 7.286 1.00 0.00 H new ATOM 0 HB THR A 28 -4.531 -10.141 5.179 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.691 -11.464 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.242 -9.427 3.201 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.557 -8.037 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.950 -8.802 4.253 1.00 0.00 H new ATOM 400 N LEU A 29 -2.603 -7.067 6.307 1.00 0.00 N ATOM 401 CA LEU A 29 -1.728 -5.909 6.266 1.00 0.00 C ATOM 402 C LEU A 29 -1.419 -5.459 7.696 1.00 0.00 C ATOM 403 O LEU A 29 -0.347 -4.914 7.961 1.00 0.00 O ATOM 404 CB LEU A 29 -2.334 -4.808 5.393 1.00 0.00 C ATOM 405 CG LEU A 29 -1.356 -4.047 4.497 1.00 0.00 C ATOM 406 CD1 LEU A 29 0.092 -4.309 4.919 1.00 0.00 C ATOM 407 CD2 LEU A 29 -1.591 -4.377 3.023 1.00 0.00 C ATOM 0 H LEU A 29 -3.566 -6.884 6.024 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.778 -6.167 5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.102 -5.254 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.834 -4.090 6.043 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.540 -2.980 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.767 -3.756 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.236 -3.983 5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.306 -5.375 4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.882 -3.822 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.451 -5.446 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.608 -4.098 2.745 1.00 0.00 H new ATOM 418 N LYS A 30 -2.376 -5.702 8.579 1.00 0.00 N ATOM 419 CA LYS A 30 -2.218 -5.328 9.974 1.00 0.00 C ATOM 420 C LYS A 30 -0.907 -5.906 10.508 1.00 0.00 C ATOM 421 O LYS A 30 -0.137 -5.205 11.163 1.00 0.00 O ATOM 422 CB LYS A 30 -3.449 -5.747 10.782 1.00 0.00 C ATOM 423 CG LYS A 30 -3.803 -4.689 11.829 1.00 0.00 C ATOM 424 CD LYS A 30 -2.771 -4.668 12.958 1.00 0.00 C ATOM 425 CE LYS A 30 -2.908 -5.904 13.851 1.00 0.00 C ATOM 426 NZ LYS A 30 -2.937 -5.510 15.277 1.00 0.00 N ATOM 0 H LYS A 30 -3.263 -6.153 8.356 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.152 -4.245 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.295 -5.897 10.111 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.258 -6.701 11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.851 -3.707 11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.792 -4.895 12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.767 -4.629 12.536 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.900 -3.766 13.557 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.820 -6.444 13.598 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.075 -6.584 13.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.030 -6.359 15.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.055 -5.014 15.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.746 -4.879 15.446 1.00 0.00 H new ATOM 435 N GLN A 31 -0.693 -7.178 10.208 1.00 0.00 N ATOM 436 CA GLN A 31 0.514 -7.859 10.650 1.00 0.00 C ATOM 437 C GLN A 31 1.720 -7.379 9.840 1.00 0.00 C ATOM 438 O GLN A 31 2.829 -7.293 10.365 1.00 0.00 O ATOM 439 CB GLN A 31 0.355 -9.377 10.551 1.00 0.00 C ATOM 440 CG GLN A 31 -0.072 -9.793 9.141 1.00 0.00 C ATOM 441 CD GLN A 31 0.092 -11.301 8.942 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.175 -11.854 9.046 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.040 -11.934 8.649 1.00 0.00 N ATOM 0 H GLN A 31 -1.334 -7.756 9.664 1.00 0.00 H new ATOM 0 HA GLN A 31 0.684 -7.613 11.698 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.297 -9.862 10.808 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.386 -9.717 11.274 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.112 -9.511 8.974 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.526 -9.258 8.403 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.913 -11.411 8.577 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.036 -12.942 8.496 1.00 0.00 H new ATOM 450 N LYS A 32 1.463 -7.082 8.576 1.00 0.00 N ATOM 451 CA LYS A 32 2.513 -6.613 7.687 1.00 0.00 C ATOM 452 C LYS A 32 2.969 -5.223 8.133 1.00 0.00 C ATOM 453 O LYS A 32 3.966 -4.703 7.634 1.00 0.00 O ATOM 454 CB LYS A 32 2.050 -6.672 6.231 1.00 0.00 C ATOM 455 CG LYS A 32 3.172 -6.248 5.281 1.00 0.00 C ATOM 456 CD LYS A 32 4.180 -7.381 5.082 1.00 0.00 C ATOM 457 CE LYS A 32 5.400 -6.898 4.294 1.00 0.00 C ATOM 458 NZ LYS A 32 6.614 -7.630 4.719 1.00 0.00 N ATOM 0 H LYS A 32 0.542 -7.157 8.145 1.00 0.00 H new ATOM 0 HA LYS A 32 3.382 -7.268 7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.727 -7.685 5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.187 -6.021 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.749 -5.960 4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.680 -5.371 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.498 -7.764 6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.704 -8.207 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.233 -7.047 3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.540 -5.828 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.422 -6.975 4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.462 -8.035 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.813 -8.395 4.043 1.00 0.00 H new ATOM 467 N VAL A 33 2.216 -4.659 9.066 1.00 0.00 N ATOM 468 CA VAL A 33 2.530 -3.338 9.584 1.00 0.00 C ATOM 469 C VAL A 33 3.584 -3.463 10.686 1.00 0.00 C ATOM 470 O VAL A 33 4.603 -2.776 10.658 1.00 0.00 O ATOM 471 CB VAL A 33 1.251 -2.643 10.056 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.553 -1.243 10.592 1.00 0.00 C ATOM 473 CG2 VAL A 33 0.210 -2.589 8.936 1.00 0.00 C ATOM 0 H VAL A 33 1.389 -5.093 9.477 1.00 0.00 H new ATOM 0 HA VAL A 33 2.954 -2.712 8.799 1.00 0.00 H new ATOM 0 HB VAL A 33 0.833 -3.231 10.873 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.627 -0.772 10.921 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.241 -1.316 11.434 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.006 -0.642 9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.689 -2.090 9.298 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.615 -2.036 8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.039 -3.603 8.622 1.00 0.00 H new ATOM 483 N THR A 34 3.301 -4.349 11.632 1.00 0.00 N ATOM 484 CA THR A 34 4.213 -4.573 12.742 1.00 0.00 C ATOM 485 C THR A 34 5.607 -4.931 12.223 1.00 0.00 C ATOM 486 O THR A 34 6.610 -4.450 12.748 1.00 0.00 O ATOM 487 CB THR A 34 3.605 -5.650 13.641 1.00 0.00 C ATOM 488 OG1 THR A 34 4.704 -6.115 14.420 1.00 0.00 O ATOM 489 CG2 THR A 34 3.158 -6.886 12.856 1.00 0.00 C ATOM 0 H THR A 34 2.455 -4.919 11.652 1.00 0.00 H new ATOM 0 HA THR A 34 4.344 -3.668 13.336 1.00 0.00 H new ATOM 0 HB THR A 34 2.754 -5.233 14.179 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.397 -6.816 15.033 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.734 -7.619 13.542 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.405 -6.598 12.122 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.016 -7.322 12.344 1.00 0.00 H new ATOM 497 N GLN A 35 5.625 -5.771 11.198 1.00 0.00 N ATOM 498 CA GLN A 35 6.880 -6.198 10.603 1.00 0.00 C ATOM 499 C GLN A 35 7.656 -4.989 10.077 1.00 0.00 C ATOM 500 O GLN A 35 8.867 -4.890 10.275 1.00 0.00 O ATOM 501 CB GLN A 35 6.638 -7.220 9.491 1.00 0.00 C ATOM 502 CG GLN A 35 5.897 -6.585 8.313 1.00 0.00 C ATOM 503 CD GLN A 35 6.877 -5.933 7.336 1.00 0.00 C ATOM 504 OE1 GLN A 35 8.064 -6.214 7.326 1.00 0.00 O ATOM 505 NE2 GLN A 35 6.315 -5.049 6.516 1.00 0.00 N ATOM 0 H GLN A 35 4.791 -6.167 10.765 1.00 0.00 H new ATOM 0 HA GLN A 35 7.480 -6.683 11.374 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.591 -7.624 9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.058 -8.057 9.881 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.312 -7.345 7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.194 -5.838 8.681 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.314 -4.861 6.578 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.885 -4.560 5.826 1.00 0.00 H new ATOM 512 N SER A 36 6.929 -4.099 9.418 1.00 0.00 N ATOM 513 CA SER A 36 7.535 -2.902 8.863 1.00 0.00 C ATOM 514 C SER A 36 7.767 -1.870 9.969 1.00 0.00 C ATOM 515 O SER A 36 8.619 -0.994 9.838 1.00 0.00 O ATOM 516 CB SER A 36 6.662 -2.305 7.757 1.00 0.00 C ATOM 517 OG SER A 36 7.429 -1.931 6.615 1.00 0.00 O ATOM 0 H SER A 36 5.925 -4.183 9.256 1.00 0.00 H new ATOM 0 HA SER A 36 8.494 -3.177 8.425 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.903 -3.030 7.463 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.136 -1.432 8.142 1.00 0.00 H new ATOM 0 HG SER A 36 6.836 -1.556 5.931 1.00 0.00 H new ATOM 522 N LEU A 37 6.993 -2.010 11.036 1.00 0.00 N ATOM 523 CA LEU A 37 7.104 -1.103 12.165 1.00 0.00 C ATOM 524 C LEU A 37 8.567 -1.017 12.604 1.00 0.00 C ATOM 525 O LEU A 37 9.017 0.026 13.075 1.00 0.00 O ATOM 526 CB LEU A 37 6.150 -1.522 13.285 1.00 0.00 C ATOM 527 CG LEU A 37 5.032 -0.533 13.620 1.00 0.00 C ATOM 528 CD1 LEU A 37 5.604 0.840 13.978 1.00 0.00 C ATOM 529 CD2 LEU A 37 4.013 -0.450 12.482 1.00 0.00 C ATOM 0 H LEU A 37 6.287 -2.738 11.142 1.00 0.00 H new ATOM 0 HA LEU A 37 6.798 -0.097 11.876 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.695 -2.474 13.011 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.736 -1.697 14.188 1.00 0.00 H new ATOM 0 HG LEU A 37 4.503 -0.901 14.499 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.788 1.524 14.212 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.259 0.747 14.844 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.173 1.229 13.133 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.229 0.260 12.746 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.511 -0.118 11.571 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.571 -1.433 12.317 1.00 0.00 H new ATOM 540 N GLU A 38 9.268 -2.128 12.433 1.00 0.00 N ATOM 541 CA GLU A 38 10.672 -2.190 12.805 1.00 0.00 C ATOM 542 C GLU A 38 11.358 -3.357 12.092 1.00 0.00 C ATOM 543 O GLU A 38 11.653 -4.379 12.707 1.00 0.00 O ATOM 544 CB GLU A 38 10.831 -2.305 14.322 1.00 0.00 C ATOM 545 CG GLU A 38 10.958 -0.924 14.967 1.00 0.00 C ATOM 546 CD GLU A 38 9.754 -0.625 15.863 1.00 0.00 C ATOM 547 OE1 GLU A 38 9.929 -0.274 17.040 1.00 0.00 O ATOM 548 OE2 GLU A 38 8.605 -0.767 15.297 1.00 0.00 O ATOM 0 H GLU A 38 8.891 -2.992 12.042 1.00 0.00 H new ATOM 0 HA GLU A 38 11.153 -1.264 12.491 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.973 -2.829 14.742 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.713 -2.901 14.554 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.874 -0.876 15.555 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.037 -0.162 14.191 1.00 0.00 H new ATOM 554 N LYS A 39 11.593 -3.164 10.802 1.00 0.00 N ATOM 555 CA LYS A 39 12.239 -4.187 9.998 1.00 0.00 C ATOM 556 C LYS A 39 13.718 -4.275 10.384 1.00 0.00 C ATOM 557 O LYS A 39 14.271 -5.368 10.489 1.00 0.00 O ATOM 558 CB LYS A 39 12.008 -3.923 8.509 1.00 0.00 C ATOM 559 CG LYS A 39 12.897 -2.783 8.009 1.00 0.00 C ATOM 560 CD LYS A 39 12.241 -1.425 8.263 1.00 0.00 C ATOM 561 CE LYS A 39 12.983 -0.654 9.357 1.00 0.00 C ATOM 562 NZ LYS A 39 12.774 0.802 9.197 1.00 0.00 N ATOM 0 H LYS A 39 11.347 -2.314 10.294 1.00 0.00 H new ATOM 0 HA LYS A 39 11.798 -5.163 10.198 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.217 -4.828 7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.961 -3.674 8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.864 -2.824 8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.086 -2.906 6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.235 -0.842 7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.201 -1.569 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.630 -0.972 10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.048 -0.882 9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.678 1.299 9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.406 0.997 8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.091 1.135 9.907 1.00 0.00 H new ATOM 571 N ASP A 40 14.315 -3.108 10.584 1.00 0.00 N ATOM 572 CA ASP A 40 15.717 -3.041 10.956 1.00 0.00 C ATOM 573 C ASP A 40 16.281 -1.677 10.552 1.00 0.00 C ATOM 574 O ASP A 40 16.227 -0.724 11.328 1.00 0.00 O ATOM 575 CB ASP A 40 16.531 -4.120 10.239 1.00 0.00 C ATOM 576 CG ASP A 40 16.754 -5.403 11.043 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.959 -5.363 12.266 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.709 -6.493 10.355 1.00 0.00 O ATOM 0 H ASP A 40 13.853 -2.203 10.495 1.00 0.00 H new ATOM 0 HA ASP A 40 15.788 -3.193 12.033 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.026 -4.376 9.308 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.502 -3.703 9.971 1.00 0.00 H new ATOM 583 N ASP A 41 16.810 -1.627 9.339 1.00 0.00 N ATOM 584 CA ASP A 41 17.385 -0.397 8.822 1.00 0.00 C ATOM 585 C ASP A 41 16.272 0.473 8.236 1.00 0.00 C ATOM 586 O ASP A 41 15.471 1.044 8.974 1.00 0.00 O ATOM 587 CB ASP A 41 18.396 -0.684 7.711 1.00 0.00 C ATOM 588 CG ASP A 41 18.974 0.555 7.026 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.385 1.519 7.690 1.00 0.00 O ATOM 590 OD2 ASP A 41 18.994 0.508 5.737 1.00 0.00 O ATOM 0 H ASP A 41 16.853 -2.419 8.698 1.00 0.00 H new ATOM 0 HA ASP A 41 17.889 0.111 9.644 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.217 -1.266 8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.916 -1.307 6.956 1.00 0.00 H new ATOM 595 N ILE A 42 16.256 0.547 6.913 1.00 0.00 N ATOM 596 CA ILE A 42 15.255 1.337 6.218 1.00 0.00 C ATOM 597 C ILE A 42 14.918 0.668 4.884 1.00 0.00 C ATOM 598 O ILE A 42 15.807 0.406 4.075 1.00 0.00 O ATOM 599 CB ILE A 42 15.719 2.788 6.078 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.301 3.618 7.293 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.221 3.399 4.767 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.817 3.422 7.607 1.00 0.00 C ATOM 0 H ILE A 42 16.922 0.072 6.304 1.00 0.00 H new ATOM 0 HA ILE A 42 14.332 1.376 6.797 1.00 0.00 H new ATOM 0 HB ILE A 42 16.808 2.796 6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.900 3.331 8.157 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.500 4.673 7.103 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.565 4.431 4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.611 2.825 3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.131 3.377 4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.546 4.023 8.475 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.220 3.733 6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.626 2.370 7.820 1.00 0.00 H new ATOM 613 N ARG A 43 13.632 0.410 4.697 1.00 0.00 N ATOM 614 CA ARG A 43 13.166 -0.224 3.475 1.00 0.00 C ATOM 615 C ARG A 43 12.245 0.723 2.703 1.00 0.00 C ATOM 616 O ARG A 43 12.167 1.910 3.015 1.00 0.00 O ATOM 617 CB ARG A 43 12.415 -1.521 3.778 1.00 0.00 C ATOM 618 CG ARG A 43 13.320 -2.739 3.580 1.00 0.00 C ATOM 619 CD ARG A 43 14.776 -2.398 3.905 1.00 0.00 C ATOM 620 NE ARG A 43 15.419 -3.535 4.601 1.00 0.00 N ATOM 621 CZ ARG A 43 15.582 -4.761 4.059 1.00 0.00 C ATOM 622 NH1 ARG A 43 15.151 -5.019 2.806 1.00 0.00 N ATOM 623 NH2 ARG A 43 16.170 -5.703 4.773 1.00 0.00 N ATOM 0 H ARG A 43 12.898 0.628 5.371 1.00 0.00 H new ATOM 0 HA ARG A 43 14.041 -0.458 2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.046 -1.501 4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.544 -1.601 3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.982 -3.555 4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.246 -3.088 2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.318 -2.169 2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.818 -1.507 4.531 1.00 0.00 H new ATOM 0 HE ARG A 43 15.761 -3.383 5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.698 -4.285 2.261 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.278 -5.948 2.404 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.493 -5.499 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.301 -6.635 4.379 1.00 0.00 H new ATOM 633 N HIS A 44 11.569 0.162 1.711 1.00 0.00 N ATOM 634 CA HIS A 44 10.656 0.941 0.892 1.00 0.00 C ATOM 635 C HIS A 44 9.340 0.179 0.724 1.00 0.00 C ATOM 636 O HIS A 44 9.295 -1.036 0.909 1.00 0.00 O ATOM 637 CB HIS A 44 11.304 1.310 -0.444 1.00 0.00 C ATOM 638 CG HIS A 44 12.388 2.355 -0.335 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.273 3.470 0.476 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.606 2.442 -0.940 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.379 4.190 0.355 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.204 3.551 -0.524 1.00 0.00 N ATOM 0 H HIS A 44 11.635 -0.823 1.456 1.00 0.00 H new ATOM 0 HA HIS A 44 10.428 1.883 1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.725 0.410 -0.892 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.532 1.672 -1.122 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.015 1.729 -1.640 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.590 5.119 0.863 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.128 3.873 -0.813 1.00 0.00 H new ATOM 649 N ILE A 45 8.303 0.924 0.374 1.00 0.00 N ATOM 650 CA ILE A 45 6.990 0.334 0.179 1.00 0.00 C ATOM 651 C ILE A 45 6.750 0.116 -1.316 1.00 0.00 C ATOM 652 O ILE A 45 7.347 0.796 -2.150 1.00 0.00 O ATOM 653 CB ILE A 45 5.913 1.185 0.856 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.219 2.098 -0.157 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.495 1.972 2.031 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.223 2.662 -1.165 1.00 0.00 C ATOM 0 H ILE A 45 8.345 1.931 0.220 1.00 0.00 H new ATOM 0 HA ILE A 45 6.938 -0.644 0.657 1.00 0.00 H new ATOM 0 HB ILE A 45 5.153 0.516 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.444 1.541 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.724 2.917 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.709 2.568 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.906 1.279 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.286 2.630 1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.704 3.307 -1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.983 3.239 -0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.699 1.842 -1.703 1.00 0.00 H new ATOM 667 N VAL A 46 5.876 -0.834 -1.611 1.00 0.00 N ATOM 668 CA VAL A 46 5.550 -1.151 -2.992 1.00 0.00 C ATOM 669 C VAL A 46 4.194 -1.857 -3.042 1.00 0.00 C ATOM 670 O VAL A 46 4.131 -3.086 -3.068 1.00 0.00 O ATOM 671 CB VAL A 46 6.677 -1.973 -3.620 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.119 -3.019 -4.587 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.693 -1.067 -4.319 1.00 0.00 C ATOM 0 H VAL A 46 5.383 -1.396 -0.917 1.00 0.00 H new ATOM 0 HA VAL A 46 5.463 -0.240 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 46 7.194 -2.500 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.941 -3.590 -5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.453 -3.693 -4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.565 -2.520 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.483 -1.677 -4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.194 -0.500 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.126 -0.378 -3.594 1.00 0.00 H new ATOM 683 N LEU A 47 3.143 -1.051 -3.056 1.00 0.00 N ATOM 684 CA LEU A 47 1.792 -1.585 -3.103 1.00 0.00 C ATOM 685 C LEU A 47 1.447 -1.959 -4.545 1.00 0.00 C ATOM 686 O LEU A 47 1.995 -1.388 -5.487 1.00 0.00 O ATOM 687 CB LEU A 47 0.806 -0.601 -2.470 1.00 0.00 C ATOM 688 CG LEU A 47 0.472 -0.841 -0.997 1.00 0.00 C ATOM 689 CD1 LEU A 47 1.585 -1.630 -0.304 1.00 0.00 C ATOM 690 CD2 LEU A 47 0.174 0.478 -0.281 1.00 0.00 C ATOM 0 H LEU A 47 3.199 -0.033 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 47 1.721 -2.497 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.213 0.405 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.122 -0.629 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.432 -1.447 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.323 -1.787 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.708 -2.595 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.519 -1.071 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.060 0.279 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.046 1.129 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.676 0.966 -0.757 1.00 0.00 H new ATOM 701 N ASN A 48 0.539 -2.916 -4.674 1.00 0.00 N ATOM 702 CA ASN A 48 0.114 -3.373 -5.986 1.00 0.00 C ATOM 703 C ASN A 48 -0.945 -4.465 -5.822 1.00 0.00 C ATOM 704 O ASN A 48 -0.620 -5.611 -5.516 1.00 0.00 O ATOM 705 CB ASN A 48 1.286 -3.967 -6.769 1.00 0.00 C ATOM 706 CG ASN A 48 2.256 -4.697 -5.836 1.00 0.00 C ATOM 707 OD1 ASN A 48 1.878 -5.249 -4.816 1.00 0.00 O ATOM 708 ND2 ASN A 48 3.522 -4.667 -6.241 1.00 0.00 N ATOM 0 H ASN A 48 0.086 -3.387 -3.891 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.285 -2.516 -6.528 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.911 -4.659 -7.523 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.813 -3.174 -7.299 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.246 -5.125 -5.687 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.769 -4.187 -7.106 1.00 0.00 H new ATOM 714 N LEU A 49 -2.193 -4.071 -6.033 1.00 0.00 N ATOM 715 CA LEU A 49 -3.303 -5.001 -5.913 1.00 0.00 C ATOM 716 C LEU A 49 -3.773 -5.410 -7.310 1.00 0.00 C ATOM 717 O LEU A 49 -4.077 -4.556 -8.141 1.00 0.00 O ATOM 718 CB LEU A 49 -4.410 -4.404 -5.041 1.00 0.00 C ATOM 719 CG LEU A 49 -4.482 -4.921 -3.602 1.00 0.00 C ATOM 720 CD1 LEU A 49 -4.236 -3.791 -2.601 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.809 -5.638 -3.344 1.00 0.00 C ATOM 0 H LEU A 49 -2.460 -3.120 -6.286 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.985 -5.911 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.279 -3.322 -5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.368 -4.596 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.687 -5.654 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.293 -4.185 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.247 -3.364 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.992 -3.017 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.835 -5.996 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.635 -4.946 -3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.904 -6.484 -4.025 1.00 0.00 H new ATOM 732 N GLU A 50 -3.819 -6.717 -7.525 1.00 0.00 N ATOM 733 CA GLU A 50 -4.247 -7.249 -8.807 1.00 0.00 C ATOM 734 C GLU A 50 -5.716 -7.675 -8.740 1.00 0.00 C ATOM 735 O GLU A 50 -6.390 -7.754 -9.767 1.00 0.00 O ATOM 736 CB GLU A 50 -3.358 -8.416 -9.241 1.00 0.00 C ATOM 737 CG GLU A 50 -2.751 -8.159 -10.622 1.00 0.00 C ATOM 738 CD GLU A 50 -1.720 -9.231 -10.976 1.00 0.00 C ATOM 739 OE1 GLU A 50 -0.899 -9.608 -10.126 1.00 0.00 O ATOM 740 OE2 GLU A 50 -1.791 -9.679 -12.183 1.00 0.00 O ATOM 0 H GLU A 50 -3.567 -7.423 -6.833 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.149 -6.463 -9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.562 -8.562 -8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.943 -9.335 -9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.540 -8.147 -11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.279 -7.176 -10.639 1.00 0.00 H new ATOM 746 N ASP A 51 -6.169 -7.937 -7.524 1.00 0.00 N ATOM 747 CA ASP A 51 -7.545 -8.353 -7.311 1.00 0.00 C ATOM 748 C ASP A 51 -8.224 -7.376 -6.348 1.00 0.00 C ATOM 749 O ASP A 51 -8.585 -7.749 -5.233 1.00 0.00 O ATOM 750 CB ASP A 51 -7.609 -9.750 -6.691 1.00 0.00 C ATOM 751 CG ASP A 51 -9.020 -10.265 -6.403 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.203 -11.405 -5.950 1.00 0.00 O ATOM 753 OD2 ASP A 51 -9.969 -9.433 -6.666 1.00 0.00 O ATOM 0 H ASP A 51 -5.608 -7.869 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.048 -8.365 -8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.112 -10.452 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.043 -9.744 -5.759 1.00 0.00 H new ATOM 758 N LEU A 52 -8.378 -6.146 -6.814 1.00 0.00 N ATOM 759 CA LEU A 52 -9.007 -5.113 -6.009 1.00 0.00 C ATOM 760 C LEU A 52 -10.490 -5.022 -6.373 1.00 0.00 C ATOM 761 O LEU A 52 -10.838 -4.596 -7.473 1.00 0.00 O ATOM 762 CB LEU A 52 -8.256 -3.788 -6.152 1.00 0.00 C ATOM 763 CG LEU A 52 -8.332 -2.841 -4.954 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.780 -2.643 -4.502 1.00 0.00 C ATOM 765 CD2 LEU A 52 -7.436 -3.326 -3.813 1.00 0.00 C ATOM 0 H LEU A 52 -8.078 -5.841 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.953 -5.369 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.207 -4.008 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.643 -3.266 -7.027 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.956 -1.866 -5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.805 -1.965 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.362 -2.218 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.206 -3.604 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.509 -2.634 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.757 -4.318 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.403 -3.372 -4.156 1.00 0.00 H new ATOM 776 N SER A 53 -11.325 -5.430 -5.427 1.00 0.00 N ATOM 777 CA SER A 53 -12.763 -5.400 -5.635 1.00 0.00 C ATOM 778 C SER A 53 -13.437 -4.606 -4.514 1.00 0.00 C ATOM 779 O SER A 53 -13.559 -3.384 -4.600 1.00 0.00 O ATOM 780 CB SER A 53 -13.340 -6.814 -5.704 1.00 0.00 C ATOM 781 OG SER A 53 -14.763 -6.815 -5.641 1.00 0.00 O ATOM 0 H SER A 53 -11.033 -5.783 -4.516 1.00 0.00 H new ATOM 0 HA SER A 53 -12.960 -4.910 -6.589 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.018 -7.292 -6.629 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.941 -7.409 -4.882 1.00 0.00 H new ATOM 0 HG SER A 53 -15.092 -7.737 -5.690 1.00 0.00 H new ATOM 786 N PHE A 54 -13.857 -5.332 -3.489 1.00 0.00 N ATOM 787 CA PHE A 54 -14.516 -4.710 -2.351 1.00 0.00 C ATOM 788 C PHE A 54 -13.822 -3.403 -1.964 1.00 0.00 C ATOM 789 O PHE A 54 -14.348 -2.320 -2.214 1.00 0.00 O ATOM 790 CB PHE A 54 -14.413 -5.693 -1.184 1.00 0.00 C ATOM 791 CG PHE A 54 -14.844 -5.108 0.162 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.146 -5.180 0.550 1.00 0.00 C ATOM 793 CD2 PHE A 54 -13.927 -4.513 0.970 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.547 -4.637 1.799 1.00 0.00 C ATOM 795 CE2 PHE A 54 -14.327 -3.970 2.220 1.00 0.00 C ATOM 796 CZ PHE A 54 -15.628 -4.043 2.607 1.00 0.00 C ATOM 0 H PHE A 54 -13.754 -6.345 -3.422 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.552 -4.480 -2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.028 -6.566 -1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.383 -6.040 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.875 -5.651 -0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.894 -4.453 0.661 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.580 -4.695 2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.598 -3.499 2.863 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.932 -3.629 3.557 1.00 0.00 H new ATOM 805 N MET A 55 -12.651 -3.547 -1.360 1.00 0.00 N ATOM 806 CA MET A 55 -11.881 -2.390 -0.936 1.00 0.00 C ATOM 807 C MET A 55 -12.800 -1.255 -0.482 1.00 0.00 C ATOM 808 O MET A 55 -13.162 -0.389 -1.277 1.00 0.00 O ATOM 809 CB MET A 55 -11.006 -1.907 -2.093 1.00 0.00 C ATOM 810 CG MET A 55 -10.802 -0.392 -2.031 1.00 0.00 C ATOM 811 SD MET A 55 -11.571 0.387 -3.440 1.00 0.00 S ATOM 812 CE MET A 55 -12.869 -0.791 -3.775 1.00 0.00 C ATOM 0 H MET A 55 -12.217 -4.447 -1.154 1.00 0.00 H new ATOM 0 HA MET A 55 -11.255 -2.683 -0.093 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.039 -2.409 -2.057 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.470 -2.176 -3.042 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.229 0.003 -1.109 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.737 -0.161 -2.014 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.680 -0.296 -4.309 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.474 -1.603 -4.385 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.246 -1.194 -2.835 1.00 0.00 H new ATOM 820 N ASP A 56 -13.153 -1.296 0.795 1.00 0.00 N ATOM 821 CA ASP A 56 -14.024 -0.282 1.364 1.00 0.00 C ATOM 822 C ASP A 56 -13.217 0.596 2.323 1.00 0.00 C ATOM 823 O ASP A 56 -12.008 0.752 2.160 1.00 0.00 O ATOM 824 CB ASP A 56 -15.167 -0.919 2.156 1.00 0.00 C ATOM 825 CG ASP A 56 -16.479 -0.130 2.146 1.00 0.00 C ATOM 826 OD1 ASP A 56 -17.141 -0.006 1.105 1.00 0.00 O ATOM 827 OD2 ASP A 56 -16.819 0.374 3.283 1.00 0.00 O ATOM 0 H ASP A 56 -12.851 -2.016 1.451 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.437 0.306 0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.356 -1.915 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.846 -1.047 3.190 1.00 0.00 H new ATOM 832 N SER A 57 -13.920 1.148 3.301 1.00 0.00 N ATOM 833 CA SER A 57 -13.284 2.007 4.286 1.00 0.00 C ATOM 834 C SER A 57 -12.912 1.195 5.527 1.00 0.00 C ATOM 835 O SER A 57 -12.880 1.727 6.636 1.00 0.00 O ATOM 836 CB SER A 57 -14.196 3.175 4.669 1.00 0.00 C ATOM 837 OG SER A 57 -15.192 2.786 5.611 1.00 0.00 O ATOM 0 H SER A 57 -14.923 1.017 3.433 1.00 0.00 H new ATOM 0 HA SER A 57 -12.377 2.419 3.845 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.595 3.982 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.677 3.568 3.774 1.00 0.00 H new ATOM 0 HG SER A 57 -15.753 3.559 5.832 1.00 0.00 H new ATOM 842 N SER A 58 -12.640 -0.083 5.301 1.00 0.00 N ATOM 843 CA SER A 58 -12.272 -0.974 6.386 1.00 0.00 C ATOM 844 C SER A 58 -10.750 -1.005 6.544 1.00 0.00 C ATOM 845 O SER A 58 -10.233 -0.830 7.647 1.00 0.00 O ATOM 846 CB SER A 58 -12.809 -2.386 6.147 1.00 0.00 C ATOM 847 OG SER A 58 -13.848 -2.403 5.171 1.00 0.00 O ATOM 0 H SER A 58 -12.668 -0.522 4.381 1.00 0.00 H new ATOM 0 HA SER A 58 -12.719 -0.596 7.305 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.995 -3.033 5.821 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.186 -2.794 7.085 1.00 0.00 H new ATOM 0 HG SER A 58 -14.164 -3.322 5.045 1.00 0.00 H new ATOM 852 N GLY A 59 -10.075 -1.230 5.427 1.00 0.00 N ATOM 853 CA GLY A 59 -8.624 -1.286 5.427 1.00 0.00 C ATOM 854 C GLY A 59 -8.023 0.045 4.973 1.00 0.00 C ATOM 855 O GLY A 59 -6.814 0.251 5.072 1.00 0.00 O ATOM 0 H GLY A 59 -10.507 -1.376 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.266 -1.528 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.288 -2.085 4.766 1.00 0.00 H new ATOM 859 N LEU A 60 -8.894 0.915 4.485 1.00 0.00 N ATOM 860 CA LEU A 60 -8.466 2.222 4.015 1.00 0.00 C ATOM 861 C LEU A 60 -7.606 2.888 5.092 1.00 0.00 C ATOM 862 O LEU A 60 -6.563 3.465 4.789 1.00 0.00 O ATOM 863 CB LEU A 60 -9.670 3.059 3.584 1.00 0.00 C ATOM 864 CG LEU A 60 -9.470 3.937 2.347 1.00 0.00 C ATOM 865 CD1 LEU A 60 -8.707 5.215 2.699 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.788 3.152 1.224 1.00 0.00 C ATOM 0 H LEU A 60 -9.896 0.741 4.405 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.844 2.122 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.506 2.386 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.958 3.700 4.417 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.451 4.240 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.579 5.821 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.269 5.781 3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.729 4.955 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.657 3.798 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.814 2.801 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.406 2.297 0.950 1.00 0.00 H new ATOM 877 N GLY A 61 -8.078 2.788 6.325 1.00 0.00 N ATOM 878 CA GLY A 61 -7.367 3.374 7.449 1.00 0.00 C ATOM 879 C GLY A 61 -6.152 2.526 7.832 1.00 0.00 C ATOM 880 O GLY A 61 -5.121 3.059 8.240 1.00 0.00 O ATOM 0 H GLY A 61 -8.945 2.310 6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.044 4.383 7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.038 3.461 8.303 1.00 0.00 H new ATOM 884 N VAL A 62 -6.314 1.220 7.689 1.00 0.00 N ATOM 885 CA VAL A 62 -5.245 0.292 8.014 1.00 0.00 C ATOM 886 C VAL A 62 -4.046 0.561 7.102 1.00 0.00 C ATOM 887 O VAL A 62 -2.914 0.223 7.444 1.00 0.00 O ATOM 888 CB VAL A 62 -5.755 -1.148 7.922 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.050 -1.908 6.796 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.592 -1.874 9.259 1.00 0.00 C ATOM 0 H VAL A 62 -7.171 0.781 7.352 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.911 0.439 9.041 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.819 -1.112 7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.431 -2.928 6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.240 -1.409 5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.977 -1.929 6.987 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.962 -2.895 9.166 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.538 -1.894 9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.160 -1.351 10.029 1.00 0.00 H new ATOM 900 N ILE A 63 -4.336 1.167 5.961 1.00 0.00 N ATOM 901 CA ILE A 63 -3.297 1.485 4.997 1.00 0.00 C ATOM 902 C ILE A 63 -2.726 2.871 5.309 1.00 0.00 C ATOM 903 O ILE A 63 -1.535 3.113 5.119 1.00 0.00 O ATOM 904 CB ILE A 63 -3.828 1.346 3.570 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.621 -0.075 3.044 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.204 2.394 2.647 1.00 0.00 C ATOM 907 CD1 ILE A 63 -4.934 -0.668 2.530 1.00 0.00 C ATOM 0 H ILE A 63 -5.276 1.447 5.682 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.474 0.775 5.076 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.902 1.531 3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.884 -0.065 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.220 -0.705 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.599 2.272 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.446 3.392 3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.122 2.266 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.757 -1.679 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.661 -0.699 3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.320 -0.049 1.720 1.00 0.00 H new ATOM 918 N LEU A 64 -3.604 3.745 5.780 1.00 0.00 N ATOM 919 CA LEU A 64 -3.203 5.099 6.120 1.00 0.00 C ATOM 920 C LEU A 64 -2.264 5.062 7.326 1.00 0.00 C ATOM 921 O LEU A 64 -1.232 5.731 7.337 1.00 0.00 O ATOM 922 CB LEU A 64 -4.432 5.987 6.323 1.00 0.00 C ATOM 923 CG LEU A 64 -4.445 7.304 5.544 1.00 0.00 C ATOM 924 CD1 LEU A 64 -5.027 7.106 4.143 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.183 8.394 6.322 1.00 0.00 C ATOM 0 H LEU A 64 -4.592 3.541 5.934 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.646 5.549 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.318 5.416 6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.519 6.215 7.385 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.415 7.638 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.025 8.057 3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.422 6.383 3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.050 6.737 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.177 9.319 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.213 8.082 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.686 8.559 7.278 1.00 0.00 H new ATOM 936 N GLY A 65 -2.656 4.272 8.316 1.00 0.00 N ATOM 937 CA GLY A 65 -1.862 4.138 9.526 1.00 0.00 C ATOM 938 C GLY A 65 -0.442 3.670 9.201 1.00 0.00 C ATOM 939 O GLY A 65 0.477 3.869 9.994 1.00 0.00 O ATOM 0 H GLY A 65 -3.513 3.719 8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.823 5.094 10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.338 3.426 10.201 1.00 0.00 H new ATOM 943 N ARG A 66 -0.308 3.056 8.036 1.00 0.00 N ATOM 944 CA ARG A 66 0.984 2.558 7.596 1.00 0.00 C ATOM 945 C ARG A 66 1.738 3.643 6.826 1.00 0.00 C ATOM 946 O ARG A 66 2.901 3.920 7.113 1.00 0.00 O ATOM 947 CB ARG A 66 0.825 1.325 6.704 1.00 0.00 C ATOM 948 CG ARG A 66 1.566 0.123 7.293 1.00 0.00 C ATOM 949 CD ARG A 66 1.212 -1.162 6.541 1.00 0.00 C ATOM 950 NE ARG A 66 1.298 -0.933 5.080 1.00 0.00 N ATOM 951 CZ ARG A 66 2.365 -1.267 4.324 1.00 0.00 C ATOM 952 NH1 ARG A 66 3.446 -1.849 4.884 1.00 0.00 N ATOM 953 NH2 ARG A 66 2.335 -1.016 3.028 1.00 0.00 N ATOM 0 H ARG A 66 -1.073 2.892 7.382 1.00 0.00 H new ATOM 0 HA ARG A 66 1.551 2.279 8.484 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.233 1.086 6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.209 1.541 5.707 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.641 0.294 7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.310 0.014 8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.891 -1.963 6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.206 -1.484 6.808 1.00 0.00 H new ATOM 0 HE ARG A 66 0.501 -0.496 4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.461 -2.040 5.886 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.248 -2.098 4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.514 -0.576 2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.133 -1.262 2.442 1.00 0.00 H new ATOM 963 N TYR A 67 1.043 4.230 5.861 1.00 0.00 N ATOM 964 CA TYR A 67 1.632 5.279 5.046 1.00 0.00 C ATOM 965 C TYR A 67 2.506 6.205 5.894 1.00 0.00 C ATOM 966 O TYR A 67 3.503 6.739 5.409 1.00 0.00 O ATOM 967 CB TYR A 67 0.459 6.082 4.481 1.00 0.00 C ATOM 968 CG TYR A 67 0.673 6.569 3.046 1.00 0.00 C ATOM 969 CD1 TYR A 67 0.338 5.755 1.983 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.200 7.824 2.815 1.00 0.00 C ATOM 971 CE1 TYR A 67 0.540 6.214 0.634 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.401 8.282 1.465 1.00 0.00 C ATOM 973 CZ TYR A 67 1.061 7.455 0.441 1.00 0.00 C ATOM 974 OH TYR A 67 1.251 7.889 -0.834 1.00 0.00 O ATOM 0 H TYR A 67 0.078 3.999 5.626 1.00 0.00 H new ATOM 0 HA TYR A 67 2.261 4.852 4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.440 5.466 4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.279 6.944 5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.076 4.774 2.163 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.461 8.462 3.647 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.283 5.586 -0.207 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.813 9.261 1.270 1.00 0.00 H new ATOM 0 HH TYR A 67 0.979 7.188 -1.462 1.00 0.00 H new ATOM 983 N LYS A 68 2.103 6.367 7.145 1.00 0.00 N ATOM 984 CA LYS A 68 2.838 7.220 8.064 1.00 0.00 C ATOM 985 C LYS A 68 3.941 6.402 8.739 1.00 0.00 C ATOM 986 O LYS A 68 5.055 6.891 8.926 1.00 0.00 O ATOM 987 CB LYS A 68 1.881 7.893 9.051 1.00 0.00 C ATOM 988 CG LYS A 68 0.679 8.497 8.322 1.00 0.00 C ATOM 989 CD LYS A 68 0.894 9.986 8.048 1.00 0.00 C ATOM 990 CE LYS A 68 -0.203 10.829 8.702 1.00 0.00 C ATOM 991 NZ LYS A 68 0.387 11.983 9.417 1.00 0.00 N ATOM 0 H LYS A 68 1.277 5.922 7.544 1.00 0.00 H new ATOM 0 HA LYS A 68 3.326 8.031 7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.537 7.164 9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.408 8.673 9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.518 7.970 7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.221 8.360 8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.868 10.292 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.902 10.164 6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.900 11.182 7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.775 10.216 9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.371 12.544 9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.034 11.640 10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.913 12.577 8.744 1.00 0.00 H new ATOM 1000 N GLN A 69 3.594 5.172 9.087 1.00 0.00 N ATOM 1001 CA GLN A 69 4.542 4.282 9.737 1.00 0.00 C ATOM 1002 C GLN A 69 5.398 3.564 8.693 1.00 0.00 C ATOM 1003 O GLN A 69 6.450 3.016 9.017 1.00 0.00 O ATOM 1004 CB GLN A 69 3.821 3.278 10.639 1.00 0.00 C ATOM 1005 CG GLN A 69 4.822 2.455 11.453 1.00 0.00 C ATOM 1006 CD GLN A 69 6.005 3.315 11.900 1.00 0.00 C ATOM 1007 OE1 GLN A 69 5.849 4.410 12.417 1.00 0.00 O ATOM 1008 NE2 GLN A 69 7.192 2.762 11.674 1.00 0.00 N ATOM 0 H GLN A 69 2.670 4.770 8.931 1.00 0.00 H new ATOM 0 HA GLN A 69 5.199 4.881 10.367 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.147 3.807 11.313 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.207 2.613 10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.325 2.032 12.326 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.182 1.618 10.854 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.251 1.842 11.237 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.044 3.257 11.937 1.00 0.00 H new ATOM 1090 N GLY A 75 10.366 5.014 3.581 1.00 0.00 N ATOM 1091 CA GLY A 75 10.916 6.221 2.988 1.00 0.00 C ATOM 1092 C GLY A 75 9.890 6.906 2.083 1.00 0.00 C ATOM 1093 O GLY A 75 9.557 8.072 2.287 1.00 0.00 O ATOM 0 HA2 GLY A 75 11.227 6.908 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.807 5.973 2.411 1.00 0.00 H new ATOM 1097 N GLU A 76 9.415 6.151 1.103 1.00 0.00 N ATOM 1098 CA GLU A 76 8.434 6.670 0.167 1.00 0.00 C ATOM 1099 C GLU A 76 7.206 5.759 0.125 1.00 0.00 C ATOM 1100 O GLU A 76 7.312 4.557 0.368 1.00 0.00 O ATOM 1101 CB GLU A 76 9.040 6.835 -1.229 1.00 0.00 C ATOM 1102 CG GLU A 76 10.424 7.483 -1.151 1.00 0.00 C ATOM 1103 CD GLU A 76 10.326 8.930 -0.666 1.00 0.00 C ATOM 1104 OE1 GLU A 76 10.827 9.255 0.421 1.00 0.00 O ATOM 1105 OE2 GLU A 76 9.704 9.731 -1.463 1.00 0.00 O ATOM 0 H GLU A 76 9.692 5.183 0.937 1.00 0.00 H new ATOM 0 HA GLU A 76 8.121 7.656 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.117 5.862 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.382 7.447 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.059 6.911 -0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.898 7.456 -2.132 1.00 0.00 H new ATOM 1111 N MET A 77 6.069 6.365 -0.182 1.00 0.00 N ATOM 1112 CA MET A 77 4.822 5.623 -0.258 1.00 0.00 C ATOM 1113 C MET A 77 4.385 5.430 -1.712 1.00 0.00 C ATOM 1114 O MET A 77 4.282 6.396 -2.466 1.00 0.00 O ATOM 1115 CB MET A 77 3.732 6.377 0.506 1.00 0.00 C ATOM 1116 CG MET A 77 4.343 7.403 1.462 1.00 0.00 C ATOM 1117 SD MET A 77 4.480 8.987 0.652 1.00 0.00 S ATOM 1118 CE MET A 77 6.147 9.428 1.113 1.00 0.00 C ATOM 0 H MET A 77 5.985 7.362 -0.381 1.00 0.00 H new ATOM 0 HA MET A 77 4.979 4.641 0.188 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.070 6.880 -0.199 1.00 0.00 H new ATOM 0 HB3 MET A 77 3.121 5.670 1.067 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.724 7.494 2.355 1.00 0.00 H new ATOM 0 HG3 MET A 77 5.327 7.066 1.789 1.00 0.00 H new ATOM 0 HE1 MET A 77 6.146 10.411 1.585 1.00 0.00 H new ATOM 0 HE2 MET A 77 6.538 8.690 1.813 1.00 0.00 H new ATOM 0 HE3 MET A 77 6.776 9.454 0.223 1.00 0.00 H new ATOM 1126 N VAL A 78 4.142 4.175 -2.062 1.00 0.00 N ATOM 1127 CA VAL A 78 3.720 3.842 -3.412 1.00 0.00 C ATOM 1128 C VAL A 78 2.434 3.016 -3.351 1.00 0.00 C ATOM 1129 O VAL A 78 2.141 2.393 -2.332 1.00 0.00 O ATOM 1130 CB VAL A 78 4.853 3.131 -4.155 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.491 1.672 -4.438 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.211 3.868 -5.446 1.00 0.00 C ATOM 0 H VAL A 78 4.229 3.376 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 78 3.498 4.748 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 78 5.733 3.139 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.313 1.189 -4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.310 1.153 -3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.592 1.633 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.019 3.341 -5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.338 3.907 -6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.532 4.882 -5.209 1.00 0.00 H new ATOM 1142 N VAL A 79 1.701 3.039 -4.454 1.00 0.00 N ATOM 1143 CA VAL A 79 0.453 2.300 -4.538 1.00 0.00 C ATOM 1144 C VAL A 79 -0.096 2.395 -5.963 1.00 0.00 C ATOM 1145 O VAL A 79 -0.385 3.488 -6.448 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.529 2.810 -3.483 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.088 4.180 -3.871 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.659 1.803 -3.253 1.00 0.00 C ATOM 0 H VAL A 79 1.947 3.558 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 79 0.619 1.244 -4.324 1.00 0.00 H new ATOM 0 HB VAL A 79 0.016 2.923 -2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.784 4.520 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.270 4.895 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.609 4.103 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.343 2.190 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.200 1.644 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.239 0.857 -2.911 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.223 1.237 -6.593 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.733 1.178 -7.953 1.00 0.00 C ATOM 1160 C CYS A 80 -2.003 0.323 -7.953 1.00 0.00 C ATOM 1161 O CYS A 80 -2.556 0.028 -6.895 1.00 0.00 O ATOM 1162 CB CYS A 80 0.317 0.639 -8.927 1.00 0.00 C ATOM 1163 SG CYS A 80 0.755 -1.082 -8.488 1.00 0.00 S ATOM 0 H CYS A 80 0.018 0.333 -6.188 1.00 0.00 H new ATOM 0 HA CYS A 80 -0.973 2.184 -8.299 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.068 0.676 -9.946 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.207 1.268 -8.899 1.00 0.00 H new ATOM 0 HG CYS A 80 1.241 -1.112 -7.283 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.427 -0.050 -9.152 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.620 -0.864 -9.303 1.00 0.00 C ATOM 1170 C ALA A 81 -4.851 -0.028 -8.945 1.00 0.00 C ATOM 1171 O ALA A 81 -5.676 -0.448 -8.134 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.495 -2.119 -8.438 1.00 0.00 C ATOM 0 H ALA A 81 -1.965 0.197 -10.027 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.733 -1.191 -10.337 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.391 -2.730 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.623 -2.692 -8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.382 -1.831 -7.393 1.00 0.00 H new ATOM 1178 N ILE A 82 -4.936 1.139 -9.565 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.052 2.037 -9.322 1.00 0.00 C ATOM 1180 C ILE A 82 -7.264 1.566 -10.126 1.00 0.00 C ATOM 1181 O ILE A 82 -7.145 0.690 -10.981 1.00 0.00 O ATOM 1182 CB ILE A 82 -5.648 3.484 -9.607 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -6.595 4.466 -8.915 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -5.557 3.740 -11.114 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.746 4.126 -7.431 1.00 0.00 C ATOM 0 H ILE A 82 -4.250 1.484 -10.236 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.338 2.013 -8.271 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.654 3.649 -9.190 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.214 5.482 -9.022 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.571 4.439 -9.399 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.268 4.776 -11.290 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.811 3.076 -11.551 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.527 3.550 -11.574 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.424 4.839 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.150 3.119 -7.328 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.772 4.178 -6.945 1.00 0.00 H new ATOM 1196 N SER A 83 -8.405 2.168 -9.823 1.00 0.00 N ATOM 1197 CA SER A 83 -9.639 1.822 -10.508 1.00 0.00 C ATOM 1198 C SER A 83 -10.632 2.982 -10.416 1.00 0.00 C ATOM 1199 O SER A 83 -10.572 3.784 -9.486 1.00 0.00 O ATOM 1200 CB SER A 83 -10.254 0.549 -9.924 1.00 0.00 C ATOM 1201 OG SER A 83 -11.573 0.770 -9.432 1.00 0.00 O ATOM 0 H SER A 83 -8.501 2.893 -9.112 1.00 0.00 H new ATOM 0 HA SER A 83 -9.407 1.634 -11.556 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.278 -0.226 -10.690 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.623 0.179 -9.116 1.00 0.00 H new ATOM 0 HG SER A 83 -11.990 -0.090 -9.217 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.548 3.036 -11.420 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.553 4.084 -11.462 1.00 0.00 C ATOM 1208 C PRO A 84 -13.651 3.832 -10.427 1.00 0.00 C ATOM 1209 O PRO A 84 -14.565 4.643 -10.276 1.00 0.00 O ATOM 1210 CB PRO A 84 -13.070 4.077 -12.891 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.675 2.728 -13.471 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.651 2.102 -12.539 1.00 0.00 C ATOM 0 HA PRO A 84 -12.150 5.063 -11.204 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.151 4.211 -12.916 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.634 4.893 -13.468 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.549 2.083 -13.567 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.257 2.850 -14.470 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.972 1.116 -12.203 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.690 1.972 -13.036 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.527 2.705 -9.742 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.498 2.336 -8.726 1.00 0.00 C ATOM 1219 C ALA A 85 -13.762 1.927 -7.448 1.00 0.00 C ATOM 1220 O ALA A 85 -14.275 1.136 -6.658 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.399 1.221 -9.262 1.00 0.00 C ATOM 0 H ALA A 85 -12.769 2.035 -9.871 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.138 3.183 -8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -16.128 0.944 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.921 1.571 -10.153 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.791 0.352 -9.516 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.572 2.486 -7.284 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.760 2.190 -6.116 1.00 0.00 C ATOM 1229 C VAL A 86 -11.059 3.467 -5.650 1.00 0.00 C ATOM 1230 O VAL A 86 -10.885 3.681 -4.452 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.785 1.053 -6.431 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.561 1.113 -5.516 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.478 -0.307 -6.333 1.00 0.00 C ATOM 0 H VAL A 86 -12.150 3.143 -7.941 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.386 1.845 -5.293 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.442 1.180 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.884 0.295 -5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.047 2.064 -5.658 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.879 1.024 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.763 -1.097 -6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.863 -0.447 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.303 -0.347 -7.045 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.677 4.282 -6.622 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.999 5.533 -6.325 1.00 0.00 C ATOM 1245 C LYS A 87 -10.995 6.512 -5.700 1.00 0.00 C ATOM 1246 O LYS A 87 -10.600 7.542 -5.156 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.307 6.076 -7.577 1.00 0.00 C ATOM 1248 CG LYS A 87 -10.331 6.472 -8.643 1.00 0.00 C ATOM 1249 CD LYS A 87 -9.680 6.552 -10.026 1.00 0.00 C ATOM 1250 CE LYS A 87 -10.241 7.728 -10.827 1.00 0.00 C ATOM 1251 NZ LYS A 87 -10.485 7.329 -12.231 1.00 0.00 N ATOM 0 H LYS A 87 -10.824 4.101 -7.615 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.207 5.373 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.698 6.941 -7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.631 5.321 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.143 5.745 -8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.772 7.436 -8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.601 6.662 -9.918 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.853 5.622 -10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.170 8.074 -10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.541 8.563 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.585 8.179 -12.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.684 6.761 -12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.357 6.765 -12.285 1.00 0.00 H new ATOM 1260 N ARG A 88 -12.268 6.156 -5.799 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.323 6.991 -5.250 1.00 0.00 C ATOM 1262 C ARG A 88 -13.224 7.034 -3.724 1.00 0.00 C ATOM 1263 O ARG A 88 -13.699 7.978 -3.095 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.703 6.468 -5.651 1.00 0.00 C ATOM 1265 CG ARG A 88 -15.165 5.357 -4.706 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.388 4.064 -4.959 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.276 2.895 -4.770 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.384 2.659 -5.505 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.749 3.511 -6.486 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -17.104 1.582 -5.250 1.00 0.00 N ATOM 0 H ARG A 88 -12.592 5.301 -6.251 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.197 7.995 -5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.424 7.286 -5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.670 6.090 -6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.026 5.673 -3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.231 5.178 -4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.984 4.065 -5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.540 4.001 -4.278 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.036 2.226 -4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.187 4.340 -6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.587 3.326 -7.037 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.820 0.943 -4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.944 1.389 -5.796 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.607 5.999 -3.173 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.442 5.907 -1.733 1.00 0.00 C ATOM 1282 C LEU A 89 -11.517 7.029 -1.257 1.00 0.00 C ATOM 1283 O LEU A 89 -11.805 7.698 -0.265 1.00 0.00 O ATOM 1284 CB LEU A 89 -11.965 4.508 -1.336 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.025 3.584 -0.734 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.628 2.115 -0.896 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.300 3.945 0.728 1.00 0.00 C ATOM 0 H LEU A 89 -12.215 5.217 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.399 6.047 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.548 4.024 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.153 4.613 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.956 3.729 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.399 1.480 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.522 1.881 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.680 1.936 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.057 3.273 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.381 3.846 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.658 4.973 0.788 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.425 7.201 -1.987 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.456 8.232 -1.652 1.00 0.00 C ATOM 1300 C PHE A 90 -9.853 9.578 -2.263 1.00 0.00 C ATOM 1301 O PHE A 90 -9.391 10.626 -1.818 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.115 7.793 -2.243 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.720 6.358 -1.891 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -7.212 6.073 -0.661 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.877 5.365 -2.808 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -6.845 4.740 -0.336 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -7.511 4.032 -2.482 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.002 3.748 -1.253 1.00 0.00 C ATOM 0 H PHE A 90 -10.189 6.645 -2.809 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.404 8.356 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.158 7.891 -3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.336 8.470 -1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.088 6.860 0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.280 5.591 -3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -6.441 4.514 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.637 3.244 -3.210 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.722 2.735 -1.005 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.706 9.503 -3.274 1.00 0.00 N ATOM 1318 CA ASP A 91 -11.171 10.702 -3.951 1.00 0.00 C ATOM 1319 C ASP A 91 -12.195 11.417 -3.067 1.00 0.00 C ATOM 1320 O ASP A 91 -12.262 12.645 -3.058 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.850 10.357 -5.278 1.00 0.00 C ATOM 1322 CG ASP A 91 -11.277 11.074 -6.502 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -10.066 11.030 -6.760 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -12.144 11.706 -7.219 1.00 0.00 O ATOM 0 H ASP A 91 -11.087 8.631 -3.641 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.307 11.338 -4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.776 9.281 -5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.911 10.596 -5.199 1.00 0.00 H new ATOM 1329 N MET A 92 -12.967 10.617 -2.345 1.00 0.00 N ATOM 1330 CA MET A 92 -13.984 11.159 -1.460 1.00 0.00 C ATOM 1331 C MET A 92 -13.385 11.539 -0.104 1.00 0.00 C ATOM 1332 O MET A 92 -13.787 12.532 0.499 1.00 0.00 O ATOM 1333 CB MET A 92 -15.089 10.120 -1.257 1.00 0.00 C ATOM 1334 CG MET A 92 -16.252 10.708 -0.456 1.00 0.00 C ATOM 1335 SD MET A 92 -16.572 9.702 0.984 1.00 0.00 S ATOM 1336 CE MET A 92 -18.204 9.099 0.586 1.00 0.00 C ATOM 0 H MET A 92 -12.908 9.599 -2.355 1.00 0.00 H new ATOM 0 HA MET A 92 -14.397 12.058 -1.918 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.449 9.772 -2.225 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.686 9.252 -0.736 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.016 11.728 -0.152 1.00 0.00 H new ATOM 0 HG3 MET A 92 -17.145 10.759 -1.080 1.00 0.00 H new ATOM 0 HE1 MET A 92 -18.557 8.450 1.387 1.00 0.00 H new ATOM 0 HE2 MET A 92 -18.886 9.942 0.475 1.00 0.00 H new ATOM 0 HE3 MET A 92 -18.167 8.537 -0.347 1.00 0.00 H new ATOM 1344 N SER A 93 -12.434 10.727 0.335 1.00 0.00 N ATOM 1345 CA SER A 93 -11.776 10.966 1.608 1.00 0.00 C ATOM 1346 C SER A 93 -10.962 12.261 1.543 1.00 0.00 C ATOM 1347 O SER A 93 -10.717 12.896 2.567 1.00 0.00 O ATOM 1348 CB SER A 93 -10.874 9.792 1.992 1.00 0.00 C ATOM 1349 OG SER A 93 -10.479 9.845 3.360 1.00 0.00 O ATOM 0 H SER A 93 -12.104 9.903 -0.168 1.00 0.00 H new ATOM 0 HA SER A 93 -12.544 11.065 2.375 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.398 8.855 1.803 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.987 9.795 1.359 1.00 0.00 H new ATOM 0 HG SER A 93 -9.906 9.077 3.565 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.568 12.612 0.328 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.787 13.819 0.116 1.00 0.00 C ATOM 1356 C GLY A 94 -8.391 13.684 0.727 1.00 0.00 C ATOM 1357 O GLY A 94 -7.621 14.644 0.746 1.00 0.00 O ATOM 0 H GLY A 94 -10.775 12.083 -0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.702 14.019 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.301 14.672 0.560 1.00 0.00 H new ATOM 1361 N LEU A 95 -8.107 12.485 1.215 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.817 12.212 1.826 1.00 0.00 C ATOM 1363 C LEU A 95 -5.956 11.404 0.852 1.00 0.00 C ATOM 1364 O LEU A 95 -4.904 10.890 1.228 1.00 0.00 O ATOM 1365 CB LEU A 95 -7.001 11.539 3.188 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.879 11.764 4.205 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.181 13.104 3.964 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.404 11.640 5.636 1.00 0.00 C ATOM 0 H LEU A 95 -8.748 11.692 1.200 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.285 13.143 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.935 11.894 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.111 10.466 3.029 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.131 10.983 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.388 13.239 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.752 13.116 2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.905 13.913 4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.587 11.804 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.182 12.385 5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.817 10.643 5.787 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.436 11.317 -0.379 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.724 10.581 -1.410 1.00 0.00 C ATOM 1381 C PHE A 96 -4.238 10.944 -1.415 1.00 0.00 C ATOM 1382 O PHE A 96 -3.391 10.103 -1.713 1.00 0.00 O ATOM 1383 CB PHE A 96 -6.340 10.980 -2.752 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.605 9.801 -3.690 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.850 8.675 -3.598 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.598 9.879 -4.617 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -6.096 7.579 -4.468 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.845 8.785 -5.486 1.00 0.00 C ATOM 1389 CZ PHE A 96 -7.089 7.658 -5.395 1.00 0.00 C ATOM 0 H PHE A 96 -7.310 11.744 -0.686 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.808 9.510 -1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -7.279 11.503 -2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.675 11.685 -3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.062 8.613 -2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -8.198 10.774 -4.691 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.496 6.684 -4.394 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.634 8.847 -6.221 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.277 6.826 -6.058 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.966 12.197 -1.082 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.597 12.682 -1.046 1.00 0.00 C ATOM 1400 C LYS A 97 -1.811 11.898 0.007 1.00 0.00 C ATOM 1401 O LYS A 97 -0.585 11.827 -0.054 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.571 14.197 -0.832 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.728 14.875 -1.567 1.00 0.00 C ATOM 1404 CD LYS A 97 -3.277 16.192 -2.203 1.00 0.00 C ATOM 1405 CE LYS A 97 -4.250 16.633 -3.298 1.00 0.00 C ATOM 1406 NZ LYS A 97 -3.888 17.978 -3.801 1.00 0.00 N ATOM 0 H LYS A 97 -4.671 12.891 -0.835 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.106 12.510 -2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.633 14.418 0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.623 14.602 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.114 14.208 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.545 15.064 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.210 16.965 -1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.279 16.073 -2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.234 15.915 -4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.267 16.646 -2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.558 18.263 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.926 18.663 -3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.925 17.954 -4.194 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.550 11.329 0.949 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.937 10.553 2.013 1.00 0.00 C ATOM 1417 C ILE A 98 -1.719 9.117 1.531 1.00 0.00 C ATOM 1418 O ILE A 98 -1.082 8.320 2.217 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.768 10.652 3.295 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.897 11.067 4.482 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.520 9.347 3.563 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.743 9.914 5.477 1.00 0.00 C ATOM 0 H ILE A 98 -3.567 11.390 0.997 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.956 10.958 2.263 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.517 11.432 3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.915 11.379 4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.343 11.927 4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.102 9.444 4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.189 9.134 2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.805 8.531 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.120 10.235 6.312 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.725 9.621 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.275 9.064 4.980 1.00 0.00 H new ATOM 1433 N ILE A 99 -2.260 8.833 0.356 1.00 0.00 N ATOM 1434 CA ILE A 99 -2.133 7.507 -0.225 1.00 0.00 C ATOM 1435 C ILE A 99 -1.305 7.596 -1.508 1.00 0.00 C ATOM 1436 O ILE A 99 -0.809 6.584 -2.002 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.512 6.875 -0.425 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -4.189 6.600 0.919 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.417 5.616 -1.289 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -3.430 5.531 1.707 1.00 0.00 C ATOM 0 H ILE A 99 -2.787 9.498 -0.210 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.600 6.842 0.454 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.140 7.586 -0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.237 7.520 1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.216 6.274 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.411 5.186 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.006 5.875 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.767 4.889 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.932 5.355 2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.405 4.605 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.411 5.871 1.892 1.00 0.00 H new ATOM 1451 N ARG A 100 -1.180 8.815 -2.011 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.420 9.048 -3.228 1.00 0.00 C ATOM 1453 C ARG A 100 -0.490 7.822 -4.141 1.00 0.00 C ATOM 1454 O ARG A 100 0.363 6.940 -4.067 1.00 0.00 O ATOM 1455 CB ARG A 100 1.045 9.357 -2.911 1.00 0.00 C ATOM 1456 CG ARG A 100 1.635 10.327 -3.937 1.00 0.00 C ATOM 1457 CD ARG A 100 2.393 11.461 -3.246 1.00 0.00 C ATOM 1458 NE ARG A 100 3.810 11.458 -3.673 1.00 0.00 N ATOM 1459 CZ ARG A 100 4.687 12.445 -3.396 1.00 0.00 C ATOM 1460 NH1 ARG A 100 4.299 13.528 -2.686 1.00 0.00 N ATOM 1461 NH2 ARG A 100 5.930 12.339 -3.827 1.00 0.00 N ATOM 0 H ARG A 100 -1.592 9.652 -1.598 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.860 9.907 -3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.122 9.787 -1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.622 8.433 -2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.307 9.790 -4.606 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.836 10.741 -4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.933 12.419 -3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.331 11.345 -2.164 1.00 0.00 H new ATOM 0 HE ARG A 100 4.145 10.659 -4.211 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.337 13.603 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.968 14.270 -2.481 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.216 11.519 -4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.604 13.077 -3.625 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.514 7.808 -4.981 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.707 6.706 -5.907 1.00 0.00 C ATOM 1473 C PHE A 101 -1.283 7.100 -7.324 1.00 0.00 C ATOM 1474 O PHE A 101 -1.040 8.273 -7.599 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.201 6.378 -5.909 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.509 4.880 -5.962 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.436 4.213 -7.145 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.857 4.216 -4.827 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.722 2.823 -7.195 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -4.144 2.826 -4.878 1.00 0.00 C ATOM 1481 CZ PHE A 101 -4.070 2.159 -6.061 1.00 0.00 C ATOM 0 H PHE A 101 -2.219 8.543 -5.040 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.103 5.852 -5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.657 6.801 -5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.668 6.865 -6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.161 4.740 -8.046 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.915 4.746 -3.888 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.663 2.293 -8.134 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.421 2.299 -3.977 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.288 1.102 -6.099 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.206 6.094 -8.185 1.00 0.00 N ATOM 1491 CA GLU A 102 -0.816 6.321 -9.566 1.00 0.00 C ATOM 1492 C GLU A 102 -1.743 5.557 -10.512 1.00 0.00 C ATOM 1493 O GLU A 102 -2.933 5.411 -10.237 1.00 0.00 O ATOM 1494 CB GLU A 102 0.646 5.928 -9.794 1.00 0.00 C ATOM 1495 CG GLU A 102 1.365 6.969 -10.653 1.00 0.00 C ATOM 1496 CD GLU A 102 2.538 7.592 -9.893 1.00 0.00 C ATOM 1497 OE1 GLU A 102 3.701 7.261 -10.168 1.00 0.00 O ATOM 1498 OE2 GLU A 102 2.207 8.450 -8.989 1.00 0.00 O ATOM 0 H GLU A 102 -1.407 5.121 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.910 7.386 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.154 5.829 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.693 4.954 -10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.727 6.502 -11.569 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.663 7.749 -10.949 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.163 5.088 -11.608 1.00 0.00 N ATOM 1505 CA GLN A 103 -1.923 4.341 -12.596 1.00 0.00 C ATOM 1506 C GLN A 103 -1.032 3.298 -13.273 1.00 0.00 C ATOM 1507 O GLN A 103 -0.452 3.562 -14.325 1.00 0.00 O ATOM 1508 CB GLN A 103 -2.550 5.281 -13.629 1.00 0.00 C ATOM 1509 CG GLN A 103 -3.490 6.285 -12.958 1.00 0.00 C ATOM 1510 CD GLN A 103 -3.969 7.339 -13.958 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -3.197 8.108 -14.507 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -5.284 7.332 -14.162 1.00 0.00 N ATOM 0 H GLN A 103 -0.176 5.211 -11.833 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.734 3.821 -12.086 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.765 5.815 -14.164 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.101 4.699 -14.368 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.348 5.761 -12.538 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.976 6.772 -12.129 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -5.873 6.661 -13.669 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -5.703 7.998 -14.811 1.00 0.00 H new ATOM 1519 N SER A 104 -0.953 2.135 -12.642 1.00 0.00 N ATOM 1520 CA SER A 104 -0.143 1.051 -13.171 1.00 0.00 C ATOM 1521 C SER A 104 1.232 1.579 -13.584 1.00 0.00 C ATOM 1522 O SER A 104 2.249 1.182 -13.015 1.00 0.00 O ATOM 1523 CB SER A 104 -0.832 0.378 -14.359 1.00 0.00 C ATOM 1524 OG SER A 104 0.002 -0.598 -14.978 1.00 0.00 O ATOM 0 H SER A 104 -1.436 1.920 -11.770 1.00 0.00 H new ATOM 0 HA SER A 104 -0.018 0.304 -12.388 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.755 -0.095 -14.023 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.110 1.135 -15.093 1.00 0.00 H new ATOM 0 HG SER A 104 -0.475 -1.006 -15.731 1.00 0.00 H new ATOM 1529 N GLU A 105 1.221 2.465 -14.568 1.00 0.00 N ATOM 1530 CA GLU A 105 2.454 3.050 -15.063 1.00 0.00 C ATOM 1531 C GLU A 105 3.462 3.208 -13.923 1.00 0.00 C ATOM 1532 O GLU A 105 4.669 3.107 -14.138 1.00 0.00 O ATOM 1533 CB GLU A 105 2.188 4.392 -15.749 1.00 0.00 C ATOM 1534 CG GLU A 105 3.454 4.923 -16.424 1.00 0.00 C ATOM 1535 CD GLU A 105 3.169 5.350 -17.866 1.00 0.00 C ATOM 1536 OE1 GLU A 105 3.046 6.552 -18.144 1.00 0.00 O ATOM 1537 OE2 GLU A 105 3.077 4.381 -18.713 1.00 0.00 O ATOM 0 H GLU A 105 0.376 2.792 -15.036 1.00 0.00 H new ATOM 0 HA GLU A 105 2.879 2.377 -15.807 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.398 4.275 -16.491 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.832 5.115 -15.015 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.843 5.771 -15.860 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.226 4.153 -16.415 1.00 0.00 H new ATOM 1543 N GLN A 106 2.929 3.453 -12.735 1.00 0.00 N ATOM 1544 CA GLN A 106 3.767 3.626 -11.561 1.00 0.00 C ATOM 1545 C GLN A 106 4.567 2.351 -11.288 1.00 0.00 C ATOM 1546 O GLN A 106 5.493 2.357 -10.477 1.00 0.00 O ATOM 1547 CB GLN A 106 2.929 4.019 -10.342 1.00 0.00 C ATOM 1548 CG GLN A 106 3.687 3.740 -9.043 1.00 0.00 C ATOM 1549 CD GLN A 106 3.216 4.671 -7.923 1.00 0.00 C ATOM 1550 OE1 GLN A 106 2.533 4.272 -6.994 1.00 0.00 O ATOM 1551 NE2 GLN A 106 3.618 5.931 -8.062 1.00 0.00 N ATOM 0 H GLN A 106 1.927 3.536 -12.560 1.00 0.00 H new ATOM 0 HA GLN A 106 4.468 4.437 -11.755 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.673 5.077 -10.398 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.991 3.464 -10.347 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.537 2.702 -8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.757 3.873 -9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.189 6.199 -8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.356 6.630 -7.367 1.00 0.00 H new ATOM 1558 N GLN A 107 4.181 1.288 -11.979 1.00 0.00 N ATOM 1559 CA GLN A 107 4.852 0.009 -11.820 1.00 0.00 C ATOM 1560 C GLN A 107 6.339 0.221 -11.533 1.00 0.00 C ATOM 1561 O GLN A 107 6.949 -0.551 -10.795 1.00 0.00 O ATOM 1562 CB GLN A 107 4.652 -0.870 -13.056 1.00 0.00 C ATOM 1563 CG GLN A 107 5.796 -0.682 -14.054 1.00 0.00 C ATOM 1564 CD GLN A 107 5.550 -1.491 -15.329 1.00 0.00 C ATOM 1565 OE1 GLN A 107 4.435 -1.869 -15.650 1.00 0.00 O ATOM 1566 NE2 GLN A 107 6.650 -1.736 -16.035 1.00 0.00 N ATOM 0 H GLN A 107 3.413 1.286 -12.650 1.00 0.00 H new ATOM 0 HA GLN A 107 4.409 -0.509 -10.969 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.594 -1.917 -12.757 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.704 -0.622 -13.533 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.896 0.374 -14.303 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.736 -0.992 -13.598 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.553 -1.390 -15.709 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.591 -2.270 -16.902 1.00 0.00 H new ATOM 1573 N ALA A 108 6.881 1.272 -12.131 1.00 0.00 N ATOM 1574 CA ALA A 108 8.286 1.595 -11.948 1.00 0.00 C ATOM 1575 C ALA A 108 8.459 2.381 -10.647 1.00 0.00 C ATOM 1576 O ALA A 108 9.266 2.010 -9.797 1.00 0.00 O ATOM 1577 CB ALA A 108 8.794 2.368 -13.168 1.00 0.00 C ATOM 0 H ALA A 108 6.373 1.911 -12.743 1.00 0.00 H new ATOM 0 HA ALA A 108 8.882 0.686 -11.865 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.848 2.611 -13.032 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.675 1.756 -14.062 1.00 0.00 H new ATOM 0 HB3 ALA A 108 8.221 3.288 -13.280 1.00 0.00 H new ATOM 1583 N LEU A 109 7.688 3.452 -10.533 1.00 0.00 N ATOM 1584 CA LEU A 109 7.746 4.293 -9.349 1.00 0.00 C ATOM 1585 C LEU A 109 7.399 3.456 -8.117 1.00 0.00 C ATOM 1586 O LEU A 109 7.782 3.802 -7.000 1.00 0.00 O ATOM 1587 CB LEU A 109 6.857 5.527 -9.525 1.00 0.00 C ATOM 1588 CG LEU A 109 7.569 6.879 -9.471 1.00 0.00 C ATOM 1589 CD1 LEU A 109 6.944 7.868 -10.457 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.591 7.430 -8.044 1.00 0.00 C ATOM 0 H LEU A 109 7.020 3.757 -11.241 1.00 0.00 H new ATOM 0 HA LEU A 109 8.756 4.674 -9.201 1.00 0.00 H new ATOM 0 HB2 LEU A 109 6.344 5.447 -10.483 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.090 5.511 -8.751 1.00 0.00 H new ATOM 0 HG LEU A 109 8.605 6.732 -9.776 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.469 8.821 -10.398 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.023 7.472 -11.469 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.894 8.016 -10.207 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.103 8.392 -8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.569 7.559 -7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.117 6.732 -7.393 1.00 0.00 H new ATOM 1601 N LEU A 110 6.679 2.371 -8.361 1.00 0.00 N ATOM 1602 CA LEU A 110 6.277 1.482 -7.284 1.00 0.00 C ATOM 1603 C LEU A 110 7.467 1.248 -6.351 1.00 0.00 C ATOM 1604 O LEU A 110 7.321 1.293 -5.130 1.00 0.00 O ATOM 1605 CB LEU A 110 5.677 0.194 -7.849 1.00 0.00 C ATOM 1606 CG LEU A 110 4.209 0.268 -8.275 1.00 0.00 C ATOM 1607 CD1 LEU A 110 3.721 -1.085 -8.796 1.00 0.00 C ATOM 1608 CD2 LEU A 110 3.334 0.794 -7.135 1.00 0.00 C ATOM 0 H LEU A 110 6.364 2.087 -9.289 1.00 0.00 H new ATOM 0 HA LEU A 110 5.488 1.939 -6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.270 -0.112 -8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.778 -0.590 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 110 4.126 0.978 -9.098 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.675 -1.005 -9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.320 -1.381 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.820 -1.834 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.296 0.837 -7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.416 0.128 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.667 1.793 -6.852 1.00 0.00 H new ATOM 1619 N THR A 111 8.618 1.003 -6.960 1.00 0.00 N ATOM 1620 CA THR A 111 9.831 0.762 -6.200 1.00 0.00 C ATOM 1621 C THR A 111 10.021 1.849 -5.139 1.00 0.00 C ATOM 1622 O THR A 111 10.884 1.729 -4.270 1.00 0.00 O ATOM 1623 CB THR A 111 10.997 0.666 -7.186 1.00 0.00 C ATOM 1624 OG1 THR A 111 11.521 -0.643 -6.978 1.00 0.00 O ATOM 1625 CG2 THR A 111 12.156 1.594 -6.816 1.00 0.00 C ATOM 0 H THR A 111 8.735 0.966 -7.973 1.00 0.00 H new ATOM 0 HA THR A 111 9.773 -0.178 -5.651 1.00 0.00 H new ATOM 0 HB THR A 111 10.644 0.908 -8.189 1.00 0.00 H new ATOM 0 HG1 THR A 111 12.281 -0.791 -7.579 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.956 1.486 -7.548 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.807 2.627 -6.809 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.531 1.331 -5.827 1.00 0.00 H new ATOM 1633 N LEU A 112 9.200 2.883 -5.245 1.00 0.00 N ATOM 1634 CA LEU A 112 9.266 3.990 -4.306 1.00 0.00 C ATOM 1635 C LEU A 112 9.926 5.191 -4.986 1.00 0.00 C ATOM 1636 O LEU A 112 10.466 6.069 -4.316 1.00 0.00 O ATOM 1637 CB LEU A 112 9.962 3.556 -3.014 1.00 0.00 C ATOM 1638 CG LEU A 112 11.479 3.749 -2.972 1.00 0.00 C ATOM 1639 CD1 LEU A 112 12.069 3.772 -4.384 1.00 0.00 C ATOM 1640 CD2 LEU A 112 11.850 5.002 -2.175 1.00 0.00 C ATOM 0 H LEU A 112 8.485 2.978 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 112 8.263 4.300 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.522 4.109 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 112 9.745 2.501 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 112 11.918 2.896 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.149 3.910 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.851 2.829 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.628 4.593 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.934 5.116 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.399 5.877 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.482 4.906 -1.154 1.00 0.00 H new ATOM 1651 N GLY A 113 9.860 5.192 -6.310 1.00 0.00 N ATOM 1652 CA GLY A 113 10.445 6.270 -7.088 1.00 0.00 C ATOM 1653 C GLY A 113 11.834 6.636 -6.562 1.00 0.00 C ATOM 1654 O GLY A 113 12.106 7.801 -6.277 1.00 0.00 O ATOM 0 H GLY A 113 9.410 4.463 -6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.516 5.971 -8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.796 7.145 -7.049 1.00 0.00 H new ATOM 1658 N VAL A 114 12.675 5.619 -6.448 1.00 0.00 N ATOM 1659 CA VAL A 114 14.029 5.819 -5.960 1.00 0.00 C ATOM 1660 C VAL A 114 14.711 4.460 -5.791 1.00 0.00 C ATOM 1661 O VAL A 114 14.659 3.864 -4.716 1.00 0.00 O ATOM 1662 CB VAL A 114 14.005 6.640 -4.669 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.000 6.086 -3.648 1.00 0.00 C ATOM 1664 CG2 VAL A 114 14.278 8.118 -4.954 1.00 0.00 C ATOM 0 H VAL A 114 12.445 4.654 -6.685 1.00 0.00 H new ATOM 0 HA VAL A 114 14.614 6.390 -6.681 1.00 0.00 H new ATOM 0 HB VAL A 114 13.006 6.560 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 114 14.963 6.688 -2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 114 14.741 5.054 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.006 6.121 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 114 14.255 8.679 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 114 15.259 8.224 -5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 114 13.515 8.506 -5.629 1.00 0.00 H new ATOM 1674 N ALA A 115 15.337 4.010 -6.870 1.00 0.00 N ATOM 1675 CA ALA A 115 16.029 2.732 -6.854 1.00 0.00 C ATOM 1676 C ALA A 115 16.241 2.255 -8.292 1.00 0.00 C ATOM 1677 O ALA A 115 15.366 1.618 -8.874 1.00 0.00 O ATOM 1678 CB ALA A 115 15.230 1.729 -6.019 1.00 0.00 C ATOM 0 H ALA A 115 15.379 4.507 -7.760 1.00 0.00 H new ATOM 0 HA ALA A 115 17.011 2.832 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.749 0.771 -6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 115 15.132 2.101 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 115 14.239 1.600 -6.455 1.00 0.00 H new