USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 938 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 87 THR OG1 : rot -109:sc= 0.579 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.15 K(o=-0.57,f=-5.8!) USER MOD Set 2.1: A 29 ASN : amide:sc= -1.48 K(o=-2.9,f=1.5) USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= 0.359 USER MOD Set 2.3: A 32 THR OG1 : rot -156:sc= -1.74 USER MOD Set 3.1: A 17 HIS : no HD1:sc= 0.252 K(o=0.52,f=-1.7) USER MOD Set 3.2: A 20 LYS NZ :NH3+ -150:sc= 0.27 (180deg=0) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.154 (180deg=-0.746) USER MOD Single : A 6 SER OG : rot 180:sc= -0.163 USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= -0.0285 (180deg=-0.199) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -8.24! C(o=-8.2!,f=-8.1!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 170:sc= 0.188 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.565 USER MOD Single : A 22 THR OG1 : rot 56:sc= 0.162 USER MOD Single : A 25 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 109:sc= 0.114 USER MOD Single : A 35 MET CE :methyl 149:sc= -2.89! (180deg=-6.81!) USER MOD Single : A 37 THR OG1 : rot -111:sc= -0.0847 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 170:sc= -2.42! USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= -1.39 (180deg=-1.57) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.294 USER MOD Single : A 59 THR OG1 : rot -140:sc= -1.77! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -39:sc= 0.926 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.605 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc=-0.00847 (180deg=-0.136) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -7.48! C(o=-7.5!,f=-14!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 46:sc= -1.17! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -6.51! C(o=-6.5!,f=-6.6!) USER MOD Single : A 106 TYR OH : rot 30:sc= -0.889 USER MOD Single : A 107 THR OG1 : rot 101:sc= 1.28 USER MOD Single : A 111 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.69) USER MOD Single : A 113 LYS NZ :NH3+ 168:sc= -0.0213 (180deg=-0.235) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -15.134 -18.962 -0.283 1.00 0.00 N ATOM 2 CA GLY A -2 -15.047 -18.393 1.090 1.00 0.00 C ATOM 3 C GLY A -2 -16.289 -17.613 1.473 1.00 0.00 C ATOM 4 O GLY A -2 -17.406 -18.019 1.157 1.00 0.00 O ATOM 0 H1 GLY A -2 -14.262 -19.486 -0.498 1.00 0.00 H new ATOM 0 H2 GLY A -2 -15.948 -19.607 -0.341 1.00 0.00 H new ATOM 0 H3 GLY A -2 -15.253 -18.191 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -14.894 -19.201 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -14.177 -17.740 1.155 1.00 0.00 H new ATOM 10 N SER A -1 -16.092 -16.490 2.158 1.00 0.00 N ATOM 11 CA SER A -1 -17.205 -15.650 2.586 1.00 0.00 C ATOM 12 C SER A -1 -16.822 -14.175 2.538 1.00 0.00 C ATOM 13 O SER A -1 -15.656 -13.831 2.345 1.00 0.00 O ATOM 14 CB SER A -1 -17.642 -16.030 4.002 1.00 0.00 C ATOM 15 OG SER A -1 -18.058 -17.384 4.062 1.00 0.00 O ATOM 0 H SER A -1 -15.172 -16.141 2.428 1.00 0.00 H new ATOM 0 HA SER A -1 -18.037 -15.813 1.900 1.00 0.00 H new ATOM 0 HB2 SER A -1 -16.817 -15.869 4.696 1.00 0.00 H new ATOM 0 HB3 SER A -1 -18.458 -15.381 4.320 1.00 0.00 H new ATOM 0 HG SER A -1 -18.331 -17.602 4.978 1.00 0.00 H new ATOM 21 N HIS A 0 -17.814 -13.306 2.714 1.00 0.00 N ATOM 22 CA HIS A 0 -17.581 -11.866 2.691 1.00 0.00 C ATOM 23 C HIS A 0 -17.363 -11.328 4.101 1.00 0.00 C ATOM 24 O HIS A 0 -16.980 -10.172 4.283 1.00 0.00 O ATOM 25 CB HIS A 0 -18.763 -11.149 2.036 1.00 0.00 C ATOM 26 CG HIS A 0 -19.011 -11.573 0.622 1.00 0.00 C ATOM 27 ND1 HIS A 0 -20.026 -12.433 0.261 1.00 0.00 N ATOM 28 CD2 HIS A 0 -18.371 -11.247 -0.527 1.00 0.00 C ATOM 29 CE1 HIS A 0 -19.998 -12.621 -1.047 1.00 0.00 C ATOM 30 NE2 HIS A 0 -19.005 -11.911 -1.547 1.00 0.00 N ATOM 0 H HIS A 0 -18.785 -13.574 2.874 1.00 0.00 H new ATOM 0 HA HIS A 0 -16.680 -11.677 2.107 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -19.661 -11.334 2.625 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -18.583 -10.074 2.058 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -17.521 -10.588 -0.622 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -20.673 -13.249 -1.610 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -18.749 -11.863 -2.533 1.00 0.00 H new ATOM 39 N MET A 1 -17.609 -12.173 5.097 1.00 0.00 N ATOM 40 CA MET A 1 -17.439 -11.784 6.492 1.00 0.00 C ATOM 41 C MET A 1 -16.046 -12.150 6.993 1.00 0.00 C ATOM 42 O MET A 1 -15.637 -11.728 8.075 1.00 0.00 O ATOM 43 CB MET A 1 -18.501 -12.456 7.364 1.00 0.00 C ATOM 44 CG MET A 1 -19.925 -12.091 6.979 1.00 0.00 C ATOM 45 SD MET A 1 -21.157 -12.899 8.019 1.00 0.00 S ATOM 46 CE MET A 1 -20.820 -14.624 7.666 1.00 0.00 C ATOM 0 H MET A 1 -17.927 -13.133 4.963 1.00 0.00 H new ATOM 0 HA MET A 1 -17.556 -10.702 6.558 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.382 -13.537 7.298 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.333 -12.179 8.405 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.050 -11.010 7.048 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.097 -12.366 5.938 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.688 -15.226 7.933 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.608 -14.743 6.604 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.958 -14.953 8.247 1.00 0.00 H new ATOM 56 N ILE A 2 -15.328 -12.943 6.194 1.00 0.00 N ATOM 57 CA ILE A 2 -13.973 -13.383 6.533 1.00 0.00 C ATOM 58 C ILE A 2 -13.984 -14.455 7.621 1.00 0.00 C ATOM 59 O ILE A 2 -13.169 -15.377 7.598 1.00 0.00 O ATOM 60 CB ILE A 2 -13.081 -12.207 6.985 1.00 0.00 C ATOM 61 CG1 ILE A 2 -13.078 -11.104 5.923 1.00 0.00 C ATOM 62 CG2 ILE A 2 -11.664 -12.691 7.260 1.00 0.00 C ATOM 63 CD1 ILE A 2 -12.337 -9.853 6.345 1.00 0.00 C ATOM 0 H ILE A 2 -15.667 -13.296 5.299 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.555 -13.808 5.621 1.00 0.00 H new ATOM 0 HB ILE A 2 -13.488 -11.795 7.909 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.626 -11.492 5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -14.108 -10.841 5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -11.048 -11.850 7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -11.683 -13.445 8.047 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -11.245 -13.125 6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -12.378 -9.117 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -12.802 -9.439 7.240 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -11.297 -10.100 6.558 1.00 0.00 H new ATOM 75 N ALA A 3 -14.910 -14.331 8.569 1.00 0.00 N ATOM 76 CA ALA A 3 -15.023 -15.290 9.664 1.00 0.00 C ATOM 77 C ALA A 3 -13.715 -15.389 10.450 1.00 0.00 C ATOM 78 O ALA A 3 -12.831 -16.170 10.096 1.00 0.00 O ATOM 79 CB ALA A 3 -15.426 -16.657 9.130 1.00 0.00 C ATOM 0 H ALA A 3 -15.594 -13.575 8.600 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.797 -14.935 10.344 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -15.506 -17.362 9.958 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.388 -16.581 8.624 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.672 -17.009 8.426 1.00 0.00 H new ATOM 85 N PRO A 4 -13.574 -14.593 11.526 1.00 0.00 N ATOM 86 CA PRO A 4 -12.366 -14.600 12.360 1.00 0.00 C ATOM 87 C PRO A 4 -12.011 -15.999 12.853 1.00 0.00 C ATOM 88 O PRO A 4 -12.722 -16.579 13.674 1.00 0.00 O ATOM 89 CB PRO A 4 -12.736 -13.697 13.539 1.00 0.00 C ATOM 90 CG PRO A 4 -13.801 -12.801 13.009 1.00 0.00 C ATOM 91 CD PRO A 4 -14.572 -13.623 12.015 1.00 0.00 C ATOM 0 HA PRO A 4 -11.490 -14.261 11.807 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -13.095 -14.280 14.387 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.875 -13.126 13.886 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.449 -12.448 13.811 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -13.370 -11.919 12.536 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -15.423 -14.121 12.480 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.966 -13.009 11.205 1.00 0.00 H new ATOM 99 N LEU A 5 -10.906 -16.537 12.344 1.00 0.00 N ATOM 100 CA LEU A 5 -10.454 -17.867 12.731 1.00 0.00 C ATOM 101 C LEU A 5 -8.937 -17.899 12.884 1.00 0.00 C ATOM 102 O LEU A 5 -8.412 -18.400 13.879 1.00 0.00 O ATOM 103 CB LEU A 5 -10.896 -18.901 11.692 1.00 0.00 C ATOM 104 CG LEU A 5 -10.488 -20.345 11.997 1.00 0.00 C ATOM 105 CD1 LEU A 5 -11.185 -20.844 13.254 1.00 0.00 C ATOM 106 CD2 LEU A 5 -10.805 -21.249 10.814 1.00 0.00 C ATOM 0 H LEU A 5 -10.308 -16.071 11.662 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.905 -18.114 13.692 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.981 -18.859 11.599 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.482 -18.620 10.724 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.412 -20.369 12.170 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.882 -21.872 13.454 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.908 -20.213 14.099 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.265 -20.805 13.111 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.509 -22.272 11.048 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.875 -21.219 10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.258 -20.905 9.936 1.00 0.00 H new ATOM 118 N SER A 6 -8.237 -17.361 11.889 1.00 0.00 N ATOM 119 CA SER A 6 -6.780 -17.325 11.912 1.00 0.00 C ATOM 120 C SER A 6 -6.279 -16.004 12.487 1.00 0.00 C ATOM 121 O SER A 6 -7.034 -15.039 12.598 1.00 0.00 O ATOM 122 CB SER A 6 -6.222 -17.524 10.500 1.00 0.00 C ATOM 123 OG SER A 6 -4.807 -17.492 10.501 1.00 0.00 O ATOM 0 H SER A 6 -8.656 -16.944 11.058 1.00 0.00 H new ATOM 0 HA SER A 6 -6.430 -18.136 12.551 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.567 -18.478 10.101 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.606 -16.745 9.841 1.00 0.00 H new ATOM 0 HG SER A 6 -4.476 -17.623 9.588 1.00 0.00 H new ATOM 129 N VAL A 7 -5.001 -15.971 12.851 1.00 0.00 N ATOM 130 CA VAL A 7 -4.398 -14.769 13.415 1.00 0.00 C ATOM 131 C VAL A 7 -4.365 -13.639 12.391 1.00 0.00 C ATOM 132 O VAL A 7 -4.253 -13.881 11.189 1.00 0.00 O ATOM 133 CB VAL A 7 -2.965 -15.045 13.915 1.00 0.00 C ATOM 134 CG1 VAL A 7 -2.074 -15.499 12.768 1.00 0.00 C ATOM 135 CG2 VAL A 7 -2.385 -13.814 14.597 1.00 0.00 C ATOM 0 H VAL A 7 -4.363 -16.763 12.765 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.016 -14.467 14.260 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.009 -15.849 14.650 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.068 -15.688 13.142 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.478 -16.414 12.334 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.037 -14.721 12.006 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.374 -14.031 14.942 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.357 -12.985 13.889 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.008 -13.542 15.449 1.00 0.00 H new ATOM 145 N LYS A 8 -4.466 -12.405 12.875 1.00 0.00 N ATOM 146 CA LYS A 8 -4.447 -11.236 12.007 1.00 0.00 C ATOM 147 C LYS A 8 -3.060 -10.619 11.981 1.00 0.00 C ATOM 148 O LYS A 8 -2.908 -9.401 11.892 1.00 0.00 O ATOM 149 CB LYS A 8 -5.459 -10.206 12.490 1.00 0.00 C ATOM 150 CG LYS A 8 -6.882 -10.480 12.026 1.00 0.00 C ATOM 151 CD LYS A 8 -7.375 -11.836 12.505 1.00 0.00 C ATOM 152 CE LYS A 8 -8.773 -12.137 11.990 1.00 0.00 C ATOM 153 NZ LYS A 8 -9.762 -11.121 12.446 1.00 0.00 N ATOM 0 H LYS A 8 -4.562 -12.190 13.867 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.713 -11.551 10.998 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.441 -10.176 13.579 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.156 -9.220 12.139 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.544 -9.699 12.400 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.924 -10.440 10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.688 -12.613 12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.375 -11.860 13.595 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.760 -12.168 10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.082 -13.124 12.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.725 -11.462 12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.651 -10.962 13.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.602 -10.228 11.938 1.00 0.00 H new ATOM 167 N ASP A 9 -2.060 -11.483 12.063 1.00 0.00 N ATOM 168 CA ASP A 9 -0.660 -11.066 12.055 1.00 0.00 C ATOM 169 C ASP A 9 -0.453 -9.862 11.144 1.00 0.00 C ATOM 170 O ASP A 9 -0.729 -9.923 9.946 1.00 0.00 O ATOM 171 CB ASP A 9 0.237 -12.218 11.600 1.00 0.00 C ATOM 172 CG ASP A 9 1.710 -11.891 11.731 1.00 0.00 C ATOM 173 OD1 ASP A 9 2.287 -11.352 10.763 1.00 0.00 O ATOM 174 OD2 ASP A 9 2.288 -12.173 12.802 1.00 0.00 O ATOM 0 H ASP A 9 -2.192 -12.492 12.137 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.390 -10.782 13.072 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.011 -13.106 12.191 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.013 -12.461 10.561 1.00 0.00 H new ATOM 179 N ASN A 10 0.034 -8.773 11.723 1.00 0.00 N ATOM 180 CA ASN A 10 0.261 -7.549 10.975 1.00 0.00 C ATOM 181 C ASN A 10 1.711 -7.093 11.056 1.00 0.00 C ATOM 182 O ASN A 10 2.527 -7.423 10.196 1.00 0.00 O ATOM 183 CB ASN A 10 -0.655 -6.442 11.499 1.00 0.00 C ATOM 184 CG ASN A 10 -0.954 -6.559 12.985 1.00 0.00 C ATOM 185 OD1 ASN A 10 -1.229 -7.643 13.499 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.894 -5.431 13.683 1.00 0.00 N ATOM 0 H ASN A 10 0.279 -8.715 12.711 1.00 0.00 H new ATOM 0 HA ASN A 10 0.034 -7.756 9.929 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.192 -5.475 11.304 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.593 -6.464 10.944 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.080 -5.441 14.686 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.662 -4.554 13.216 1.00 0.00 H new ATOM 193 N ASP A 11 2.008 -6.327 12.095 1.00 0.00 N ATOM 194 CA ASP A 11 3.338 -5.791 12.319 1.00 0.00 C ATOM 195 C ASP A 11 4.417 -6.840 12.087 1.00 0.00 C ATOM 196 O ASP A 11 4.700 -7.664 12.957 1.00 0.00 O ATOM 197 CB ASP A 11 3.446 -5.243 13.740 1.00 0.00 C ATOM 198 CG ASP A 11 2.251 -4.399 14.134 1.00 0.00 C ATOM 199 OD1 ASP A 11 2.172 -3.237 13.686 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.397 -4.900 14.894 1.00 0.00 O ATOM 0 H ASP A 11 1.329 -6.060 12.808 1.00 0.00 H new ATOM 0 HA ASP A 11 3.496 -4.986 11.601 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.545 -6.074 14.439 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.353 -4.644 13.826 1.00 0.00 H new ATOM 205 N LYS A 12 5.004 -6.806 10.900 1.00 0.00 N ATOM 206 CA LYS A 12 6.066 -7.731 10.540 1.00 0.00 C ATOM 207 C LYS A 12 7.425 -7.042 10.664 1.00 0.00 C ATOM 208 O LYS A 12 7.880 -6.362 9.745 1.00 0.00 O ATOM 209 CB LYS A 12 5.852 -8.256 9.119 1.00 0.00 C ATOM 210 CG LYS A 12 7.069 -8.947 8.538 1.00 0.00 C ATOM 211 CD LYS A 12 6.751 -9.621 7.213 1.00 0.00 C ATOM 212 CE LYS A 12 8.011 -10.136 6.539 1.00 0.00 C ATOM 213 NZ LYS A 12 7.713 -10.820 5.250 1.00 0.00 N ATOM 0 H LYS A 12 4.760 -6.142 10.165 1.00 0.00 H new ATOM 0 HA LYS A 12 6.045 -8.579 11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.015 -8.954 9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.573 -7.425 8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.867 -8.219 8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.439 -9.690 9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.061 -10.448 7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.247 -8.914 6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.692 -9.304 6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.523 -10.828 7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.599 -11.156 4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.083 -11.629 5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.248 -10.153 4.602 1.00 0.00 H new ATOM 227 N TRP A 13 8.055 -7.218 11.820 1.00 0.00 N ATOM 228 CA TRP A 13 9.345 -6.615 12.107 1.00 0.00 C ATOM 229 C TRP A 13 10.483 -7.473 11.566 1.00 0.00 C ATOM 230 O TRP A 13 10.831 -8.496 12.156 1.00 0.00 O ATOM 231 CB TRP A 13 9.475 -6.424 13.619 1.00 0.00 C ATOM 232 CG TRP A 13 8.173 -6.042 14.271 1.00 0.00 C ATOM 233 CD1 TRP A 13 7.127 -6.873 14.553 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.772 -4.736 14.711 1.00 0.00 C ATOM 235 NE1 TRP A 13 6.096 -6.165 15.120 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.467 -4.852 15.231 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.387 -3.481 14.713 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.764 -3.759 15.742 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.691 -2.399 15.224 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.392 -2.545 15.730 1.00 0.00 C ATOM 0 H TRP A 13 7.683 -7.784 12.583 1.00 0.00 H new ATOM 0 HA TRP A 13 9.409 -5.646 11.612 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.844 -7.347 14.067 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.218 -5.652 13.821 1.00 0.00 H new ATOM 0 HD1 TRP A 13 7.113 -7.935 14.358 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.199 -6.554 15.411 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.387 -3.358 14.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.763 -3.869 16.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.157 -1.425 15.233 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.876 -1.679 16.119 1.00 0.00 H new ATOM 251 N VAL A 14 11.067 -7.051 10.441 1.00 0.00 N ATOM 252 CA VAL A 14 12.160 -7.809 9.828 1.00 0.00 C ATOM 253 C VAL A 14 13.153 -6.905 9.113 1.00 0.00 C ATOM 254 O VAL A 14 13.089 -5.683 9.218 1.00 0.00 O ATOM 255 CB VAL A 14 11.633 -8.854 8.824 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.809 -9.920 9.533 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.820 -8.181 7.731 1.00 0.00 C ATOM 0 H VAL A 14 10.806 -6.201 9.942 1.00 0.00 H new ATOM 0 HA VAL A 14 12.668 -8.316 10.648 1.00 0.00 H new ATOM 0 HB VAL A 14 12.489 -9.344 8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.448 -10.646 8.804 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.429 -10.426 10.273 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.959 -9.452 10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.456 -8.934 7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.972 -7.660 8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.447 -7.465 7.199 1.00 0.00 H new ATOM 267 N ASP A 15 14.073 -7.534 8.389 1.00 0.00 N ATOM 268 CA ASP A 15 15.105 -6.825 7.642 1.00 0.00 C ATOM 269 C ASP A 15 14.852 -6.924 6.139 1.00 0.00 C ATOM 270 O ASP A 15 13.890 -7.563 5.710 1.00 0.00 O ATOM 271 CB ASP A 15 16.471 -7.417 7.984 1.00 0.00 C ATOM 272 CG ASP A 15 17.116 -6.746 9.180 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.707 -7.046 10.322 1.00 0.00 O ATOM 274 OD2 ASP A 15 18.031 -5.922 8.975 1.00 0.00 O ATOM 0 H ASP A 15 14.124 -8.549 8.304 1.00 0.00 H new ATOM 0 HA ASP A 15 15.082 -5.771 7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.360 -8.482 8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.130 -7.323 7.121 1.00 0.00 H new ATOM 279 N THR A 16 15.717 -6.296 5.342 1.00 0.00 N ATOM 280 CA THR A 16 15.570 -6.324 3.888 1.00 0.00 C ATOM 281 C THR A 16 16.726 -5.611 3.190 1.00 0.00 C ATOM 282 O THR A 16 17.703 -5.217 3.826 1.00 0.00 O ATOM 283 CB THR A 16 14.246 -5.666 3.451 1.00 0.00 C ATOM 284 OG1 THR A 16 13.872 -6.132 2.150 1.00 0.00 O ATOM 285 CG2 THR A 16 14.365 -4.149 3.431 1.00 0.00 C ATOM 0 H THR A 16 16.521 -5.765 5.676 1.00 0.00 H new ATOM 0 HA THR A 16 15.571 -7.374 3.596 1.00 0.00 H new ATOM 0 HB THR A 16 13.480 -5.943 4.175 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.959 -5.839 1.948 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.416 -3.714 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.618 -3.791 4.429 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.147 -3.855 2.731 1.00 0.00 H new ATOM 293 N HIS A 17 16.602 -5.453 1.872 1.00 0.00 N ATOM 294 CA HIS A 17 17.619 -4.775 1.076 1.00 0.00 C ATOM 295 C HIS A 17 17.003 -3.589 0.340 1.00 0.00 C ATOM 296 O HIS A 17 15.808 -3.333 0.462 1.00 0.00 O ATOM 297 CB HIS A 17 18.255 -5.744 0.079 1.00 0.00 C ATOM 298 CG HIS A 17 18.871 -6.947 0.722 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.216 -8.155 0.842 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.091 -7.126 1.282 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.007 -9.024 1.449 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.149 -8.424 1.725 1.00 0.00 N ATOM 0 H HIS A 17 15.803 -5.788 1.334 1.00 0.00 H new ATOM 0 HA HIS A 17 18.398 -4.410 1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.496 -6.071 -0.632 1.00 0.00 H new ATOM 0 HB3 HIS A 17 19.019 -5.216 -0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.873 -6.385 1.365 1.00 0.00 H new ATOM 0 HE1 HIS A 17 18.760 -10.050 1.679 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.947 -8.855 2.192 1.00 0.00 H new ATOM 311 N VAL A 18 17.819 -2.872 -0.428 1.00 0.00 N ATOM 312 CA VAL A 18 17.340 -1.704 -1.165 1.00 0.00 C ATOM 313 C VAL A 18 16.404 -2.087 -2.309 1.00 0.00 C ATOM 314 O VAL A 18 16.659 -3.032 -3.056 1.00 0.00 O ATOM 315 CB VAL A 18 18.511 -0.873 -1.726 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.357 -1.710 -2.675 1.00 0.00 C ATOM 317 CG2 VAL A 18 17.995 0.380 -2.421 1.00 0.00 C ATOM 0 H VAL A 18 18.810 -3.077 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 18 16.781 -1.102 -0.448 1.00 0.00 H new ATOM 0 HB VAL A 18 19.142 -0.563 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.178 -1.105 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.760 -2.571 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.740 -2.054 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.837 0.953 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.338 0.096 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.440 0.989 -1.708 1.00 0.00 H new ATOM 327 N GLY A 19 15.313 -1.333 -2.428 1.00 0.00 N ATOM 328 CA GLY A 19 14.335 -1.559 -3.479 1.00 0.00 C ATOM 329 C GLY A 19 13.734 -2.949 -3.468 1.00 0.00 C ATOM 330 O GLY A 19 13.129 -3.364 -4.456 1.00 0.00 O ATOM 0 H GLY A 19 15.087 -0.558 -1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.534 -0.826 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.808 -1.386 -4.446 1.00 0.00 H new ATOM 334 N LYS A 20 13.906 -3.680 -2.370 1.00 0.00 N ATOM 335 CA LYS A 20 13.344 -5.017 -2.263 1.00 0.00 C ATOM 336 C LYS A 20 11.830 -4.962 -2.435 1.00 0.00 C ATOM 337 O LYS A 20 11.085 -4.886 -1.459 1.00 0.00 O ATOM 338 CB LYS A 20 13.700 -5.637 -0.911 1.00 0.00 C ATOM 339 CG LYS A 20 13.910 -7.132 -0.973 1.00 0.00 C ATOM 340 CD LYS A 20 15.253 -7.434 -1.589 1.00 0.00 C ATOM 341 CE LYS A 20 15.696 -8.860 -1.309 1.00 0.00 C ATOM 342 NZ LYS A 20 17.019 -9.162 -1.922 1.00 0.00 N ATOM 0 H LYS A 20 14.426 -3.370 -1.549 1.00 0.00 H new ATOM 0 HA LYS A 20 13.767 -5.639 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.606 -5.166 -0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.904 -5.419 -0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.855 -7.558 0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.118 -7.596 -1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.203 -7.274 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.996 -6.739 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.751 -9.018 -0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.950 -9.554 -1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.067 -10.172 -2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.140 -8.593 -2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.775 -8.933 -1.246 1.00 0.00 H new ATOM 356 N THR A 21 11.386 -4.991 -3.688 1.00 0.00 N ATOM 357 CA THR A 21 9.966 -4.923 -4.002 1.00 0.00 C ATOM 358 C THR A 21 9.192 -6.036 -3.310 1.00 0.00 C ATOM 359 O THR A 21 9.218 -7.188 -3.743 1.00 0.00 O ATOM 360 CB THR A 21 9.717 -5.008 -5.517 1.00 0.00 C ATOM 361 OG1 THR A 21 10.690 -4.225 -6.221 1.00 0.00 O ATOM 362 CG2 THR A 21 8.320 -4.509 -5.859 1.00 0.00 C ATOM 0 H THR A 21 11.994 -5.061 -4.504 1.00 0.00 H new ATOM 0 HA THR A 21 9.613 -3.958 -3.637 1.00 0.00 H new ATOM 0 HB THR A 21 9.804 -6.052 -5.820 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.524 -4.287 -7.185 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.163 -4.577 -6.935 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.579 -5.121 -5.345 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.217 -3.471 -5.542 1.00 0.00 H new ATOM 370 N THR A 22 8.508 -5.682 -2.230 1.00 0.00 N ATOM 371 CA THR A 22 7.720 -6.647 -1.477 1.00 0.00 C ATOM 372 C THR A 22 6.241 -6.505 -1.800 1.00 0.00 C ATOM 373 O THR A 22 5.568 -5.596 -1.311 1.00 0.00 O ATOM 374 CB THR A 22 7.935 -6.486 0.042 1.00 0.00 C ATOM 375 OG1 THR A 22 9.304 -6.746 0.373 1.00 0.00 O ATOM 376 CG2 THR A 22 7.033 -7.427 0.829 1.00 0.00 C ATOM 0 H THR A 22 8.483 -4.733 -1.856 1.00 0.00 H new ATOM 0 HA THR A 22 8.057 -7.641 -1.771 1.00 0.00 H new ATOM 0 HB THR A 22 7.681 -5.461 0.311 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.885 -6.162 -0.157 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.207 -7.290 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.990 -7.207 0.601 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.255 -8.458 0.554 1.00 0.00 H new ATOM 384 N GLU A 23 5.750 -7.406 -2.646 1.00 0.00 N ATOM 385 CA GLU A 23 4.361 -7.411 -3.046 1.00 0.00 C ATOM 386 C GLU A 23 3.502 -8.092 -1.997 1.00 0.00 C ATOM 387 O GLU A 23 3.852 -9.158 -1.488 1.00 0.00 O ATOM 388 CB GLU A 23 4.215 -8.129 -4.379 1.00 0.00 C ATOM 389 CG GLU A 23 2.818 -8.031 -4.957 1.00 0.00 C ATOM 390 CD GLU A 23 2.753 -8.484 -6.403 1.00 0.00 C ATOM 391 OE1 GLU A 23 2.942 -9.692 -6.657 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.513 -7.629 -7.281 1.00 0.00 O ATOM 0 H GLU A 23 6.308 -8.148 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 23 4.025 -6.379 -3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.926 -7.710 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.475 -9.180 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.138 -8.638 -4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.471 -7.000 -4.887 1.00 0.00 H new ATOM 399 N ILE A 24 2.375 -7.474 -1.679 1.00 0.00 N ATOM 400 CA ILE A 24 1.470 -8.023 -0.686 1.00 0.00 C ATOM 401 C ILE A 24 0.022 -7.936 -1.135 1.00 0.00 C ATOM 402 O ILE A 24 -0.579 -6.861 -1.132 1.00 0.00 O ATOM 403 CB ILE A 24 1.615 -7.291 0.652 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.084 -7.267 1.079 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.748 -7.954 1.712 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.331 -6.556 2.390 1.00 0.00 C ATOM 0 H ILE A 24 2.067 -6.594 -2.094 1.00 0.00 H new ATOM 0 HA ILE A 24 1.740 -9.072 -0.564 1.00 0.00 H new ATOM 0 HB ILE A 24 1.276 -6.262 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.445 -8.292 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.671 -6.783 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.860 -7.424 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.296 -7.922 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.057 -8.991 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.395 -6.582 2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.002 -5.520 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.773 -7.053 3.184 1.00 0.00 H new ATOM 418 N HIS A 25 -0.526 -9.074 -1.534 1.00 0.00 N ATOM 419 CA HIS A 25 -1.913 -9.148 -1.960 1.00 0.00 C ATOM 420 C HIS A 25 -2.814 -9.362 -0.752 1.00 0.00 C ATOM 421 O HIS A 25 -2.977 -10.487 -0.278 1.00 0.00 O ATOM 422 CB HIS A 25 -2.110 -10.290 -2.952 1.00 0.00 C ATOM 423 CG HIS A 25 -0.990 -10.442 -3.932 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.214 -11.578 -4.018 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.524 -9.597 -4.882 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.682 -11.425 -4.977 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.514 -10.233 -5.518 1.00 0.00 N ATOM 0 H HIS A 25 -0.027 -9.963 -1.571 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.175 -8.209 -2.449 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.225 -11.222 -2.399 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.039 -10.127 -3.499 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.316 -12.407 -3.433 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.899 -8.608 -5.099 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.426 -12.152 -5.269 1.00 0.00 H new ATOM 436 N LEU A 26 -3.391 -8.280 -0.257 1.00 0.00 N ATOM 437 CA LEU A 26 -4.270 -8.347 0.902 1.00 0.00 C ATOM 438 C LEU A 26 -5.708 -8.549 0.457 1.00 0.00 C ATOM 439 O LEU A 26 -6.121 -8.032 -0.577 1.00 0.00 O ATOM 440 CB LEU A 26 -4.165 -7.066 1.725 1.00 0.00 C ATOM 441 CG LEU A 26 -2.747 -6.666 2.141 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.707 -5.201 2.549 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.253 -7.546 3.280 1.00 0.00 C ATOM 0 H LEU A 26 -3.267 -7.342 -0.639 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.962 -9.191 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.601 -6.249 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.770 -7.182 2.624 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.086 -6.808 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.692 -4.932 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.018 -4.581 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.382 -5.039 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.244 -7.245 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.916 -7.437 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.245 -8.587 2.958 1.00 0.00 H new ATOM 455 N LYS A 27 -6.470 -9.288 1.243 1.00 0.00 N ATOM 456 CA LYS A 27 -7.861 -9.548 0.908 1.00 0.00 C ATOM 457 C LYS A 27 -8.766 -8.497 1.531 1.00 0.00 C ATOM 458 O LYS A 27 -8.391 -7.827 2.493 1.00 0.00 O ATOM 459 CB LYS A 27 -8.283 -10.942 1.366 1.00 0.00 C ATOM 460 CG LYS A 27 -7.268 -12.027 1.036 1.00 0.00 C ATOM 461 CD LYS A 27 -6.180 -12.127 2.094 1.00 0.00 C ATOM 462 CE LYS A 27 -5.200 -13.245 1.782 1.00 0.00 C ATOM 463 NZ LYS A 27 -4.132 -13.352 2.813 1.00 0.00 N ATOM 0 H LYS A 27 -6.153 -9.717 2.113 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.959 -9.498 -0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.448 -10.927 2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.236 -11.195 0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.778 -12.986 0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.814 -11.817 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.645 -11.180 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.634 -12.302 3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.738 -14.191 1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.746 -13.068 0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.484 -14.126 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.602 -12.458 2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.562 -13.546 3.740 1.00 0.00 H new ATOM 477 N GLY A 28 -9.963 -8.371 0.979 1.00 0.00 N ATOM 478 CA GLY A 28 -10.910 -7.389 1.469 1.00 0.00 C ATOM 479 C GLY A 28 -11.957 -7.040 0.428 1.00 0.00 C ATOM 480 O GLY A 28 -12.249 -7.842 -0.458 1.00 0.00 O ATOM 0 H GLY A 28 -10.298 -8.934 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.401 -7.774 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.376 -6.485 1.763 1.00 0.00 H new ATOM 484 N ASN A 29 -12.522 -5.841 0.534 1.00 0.00 N ATOM 485 CA ASN A 29 -13.538 -5.388 -0.411 1.00 0.00 C ATOM 486 C ASN A 29 -13.878 -3.914 -0.185 1.00 0.00 C ATOM 487 O ASN A 29 -14.110 -3.495 0.949 1.00 0.00 O ATOM 488 CB ASN A 29 -14.803 -6.238 -0.284 1.00 0.00 C ATOM 489 CG ASN A 29 -15.830 -5.908 -1.350 1.00 0.00 C ATOM 490 OD1 ASN A 29 -15.850 -6.518 -2.420 1.00 0.00 O ATOM 491 ND2 ASN A 29 -16.688 -4.935 -1.065 1.00 0.00 N ATOM 0 H ASN A 29 -12.294 -5.166 1.264 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.133 -5.500 -1.417 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.537 -7.293 -0.353 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.243 -6.084 0.701 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.399 -4.667 -1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.636 -4.456 -0.166 1.00 0.00 H new ATOM 498 N PRO A 30 -13.912 -3.107 -1.263 1.00 0.00 N ATOM 499 CA PRO A 30 -14.223 -1.675 -1.170 1.00 0.00 C ATOM 500 C PRO A 30 -15.632 -1.412 -0.648 1.00 0.00 C ATOM 501 O PRO A 30 -15.818 -0.673 0.320 1.00 0.00 O ATOM 502 CB PRO A 30 -14.096 -1.179 -2.617 1.00 0.00 C ATOM 503 CG PRO A 30 -13.295 -2.219 -3.318 1.00 0.00 C ATOM 504 CD PRO A 30 -13.643 -3.516 -2.651 1.00 0.00 C ATOM 0 HA PRO A 30 -13.559 -1.169 -0.469 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.076 -1.059 -3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.603 -0.208 -2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.535 -2.248 -4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.228 -2.011 -3.238 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.513 -3.986 -3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.825 -4.233 -2.710 1.00 0.00 H new ATOM 512 N THR A 31 -16.622 -2.018 -1.297 1.00 0.00 N ATOM 513 CA THR A 31 -18.016 -1.841 -0.906 1.00 0.00 C ATOM 514 C THR A 31 -18.405 -2.778 0.234 1.00 0.00 C ATOM 515 O THR A 31 -19.410 -3.486 0.152 1.00 0.00 O ATOM 516 CB THR A 31 -18.960 -2.081 -2.099 1.00 0.00 C ATOM 517 OG1 THR A 31 -18.788 -3.411 -2.602 1.00 0.00 O ATOM 518 CG2 THR A 31 -18.697 -1.075 -3.209 1.00 0.00 C ATOM 0 H THR A 31 -16.484 -2.636 -2.096 1.00 0.00 H new ATOM 0 HA THR A 31 -18.118 -0.811 -0.564 1.00 0.00 H new ATOM 0 HB THR A 31 -19.986 -1.955 -1.752 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.393 -3.555 -3.359 1.00 0.00 H new ATOM 0 HG21 THR A 31 -19.376 -1.265 -4.040 1.00 0.00 H new ATOM 0 HG22 THR A 31 -18.859 -0.066 -2.831 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.667 -1.173 -3.552 1.00 0.00 H new ATOM 526 N THR A 32 -17.610 -2.775 1.298 1.00 0.00 N ATOM 527 CA THR A 32 -17.880 -3.621 2.454 1.00 0.00 C ATOM 528 C THR A 32 -17.712 -2.845 3.757 1.00 0.00 C ATOM 529 O THR A 32 -18.672 -2.653 4.503 1.00 0.00 O ATOM 530 CB THR A 32 -16.962 -4.858 2.476 1.00 0.00 C ATOM 531 OG1 THR A 32 -17.297 -5.733 1.393 1.00 0.00 O ATOM 532 CG2 THR A 32 -17.086 -5.609 3.794 1.00 0.00 C ATOM 0 H THR A 32 -16.774 -2.197 1.384 1.00 0.00 H new ATOM 0 HA THR A 32 -18.915 -3.953 2.367 1.00 0.00 H new ATOM 0 HB THR A 32 -15.932 -4.517 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.012 -6.645 1.609 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.427 -6.477 3.781 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.804 -4.951 4.616 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.116 -5.937 3.930 1.00 0.00 H new ATOM 540 N GLY A 33 -16.488 -2.400 4.025 1.00 0.00 N ATOM 541 CA GLY A 33 -16.224 -1.654 5.241 1.00 0.00 C ATOM 542 C GLY A 33 -15.138 -0.609 5.065 1.00 0.00 C ATOM 543 O GLY A 33 -15.359 0.426 4.436 1.00 0.00 O ATOM 0 H GLY A 33 -15.677 -2.542 3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.142 -1.166 5.569 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.931 -2.346 6.030 1.00 0.00 H new ATOM 547 N TYR A 34 -13.964 -0.882 5.625 1.00 0.00 N ATOM 548 CA TYR A 34 -12.839 0.043 5.535 1.00 0.00 C ATOM 549 C TYR A 34 -12.009 -0.225 4.282 1.00 0.00 C ATOM 550 O TYR A 34 -12.439 -0.943 3.380 1.00 0.00 O ATOM 551 CB TYR A 34 -11.952 -0.072 6.780 1.00 0.00 C ATOM 552 CG TYR A 34 -12.668 0.203 8.089 1.00 0.00 C ATOM 553 CD1 TYR A 34 -13.723 -0.599 8.512 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.285 1.262 8.905 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.373 -0.354 9.706 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.932 1.513 10.101 1.00 0.00 C ATOM 557 CZ TYR A 34 -13.974 0.703 10.496 1.00 0.00 C ATOM 558 OH TYR A 34 -14.620 0.950 11.685 1.00 0.00 O ATOM 0 H TYR A 34 -13.767 -1.736 6.146 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.241 1.054 5.474 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.527 -1.075 6.817 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.119 0.624 6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.039 -1.428 7.896 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.468 1.899 8.599 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.190 -0.987 10.019 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.622 2.340 10.722 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.027 0.727 12.432 1.00 0.00 H new ATOM 568 N MET A 35 -10.817 0.363 4.240 1.00 0.00 N ATOM 569 CA MET A 35 -9.916 0.209 3.116 1.00 0.00 C ATOM 570 C MET A 35 -8.508 -0.085 3.603 1.00 0.00 C ATOM 571 O MET A 35 -8.106 0.357 4.679 1.00 0.00 O ATOM 572 CB MET A 35 -9.914 1.485 2.275 1.00 0.00 C ATOM 573 CG MET A 35 -8.611 1.744 1.541 1.00 0.00 C ATOM 574 SD MET A 35 -8.748 3.129 0.388 1.00 0.00 S ATOM 575 CE MET A 35 -7.067 3.275 -0.208 1.00 0.00 C ATOM 0 H MET A 35 -10.454 0.957 4.985 1.00 0.00 H new ATOM 0 HA MET A 35 -10.259 -0.627 2.506 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.723 1.428 1.547 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.128 2.335 2.923 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.822 1.951 2.264 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.317 0.847 0.997 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.075 3.642 -1.234 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.517 3.974 0.422 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.583 2.299 -0.175 1.00 0.00 H new ATOM 585 N TRP A 36 -7.764 -0.825 2.803 1.00 0.00 N ATOM 586 CA TRP A 36 -6.395 -1.168 3.141 1.00 0.00 C ATOM 587 C TRP A 36 -5.428 -0.273 2.382 1.00 0.00 C ATOM 588 O TRP A 36 -5.293 -0.380 1.162 1.00 0.00 O ATOM 589 CB TRP A 36 -6.122 -2.629 2.821 1.00 0.00 C ATOM 590 CG TRP A 36 -6.330 -3.542 3.989 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.309 -4.482 4.133 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.543 -3.593 5.180 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.176 -5.117 5.345 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.098 -4.588 6.006 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.421 -2.894 5.626 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.567 -4.900 7.254 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.894 -3.203 6.863 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.468 -4.199 7.666 1.00 0.00 C ATOM 0 H TRP A 36 -8.086 -1.201 1.911 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.250 -1.014 4.210 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.772 -2.942 2.004 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.096 -2.730 2.468 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.075 -4.695 3.402 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.781 -5.860 5.695 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.973 -2.125 5.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.007 -5.667 7.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.025 -2.669 7.219 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.033 -4.417 8.630 1.00 0.00 H new ATOM 609 N THR A 37 -4.758 0.609 3.109 1.00 0.00 N ATOM 610 CA THR A 37 -3.817 1.537 2.501 1.00 0.00 C ATOM 611 C THR A 37 -2.764 1.988 3.517 1.00 0.00 C ATOM 612 O THR A 37 -2.713 1.465 4.630 1.00 0.00 O ATOM 613 CB THR A 37 -4.563 2.763 1.957 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.667 3.607 1.225 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.190 3.544 3.099 1.00 0.00 C ATOM 0 H THR A 37 -4.849 0.701 4.121 1.00 0.00 H new ATOM 0 HA THR A 37 -3.315 1.023 1.681 1.00 0.00 H new ATOM 0 HB THR A 37 -5.351 2.420 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.529 4.443 1.718 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.716 4.411 2.701 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.894 2.906 3.633 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.410 3.876 3.784 1.00 0.00 H new ATOM 623 N ARG A 38 -1.929 2.959 3.143 1.00 0.00 N ATOM 624 CA ARG A 38 -0.891 3.456 4.044 1.00 0.00 C ATOM 625 C ARG A 38 -1.416 4.604 4.906 1.00 0.00 C ATOM 626 O ARG A 38 -2.343 5.313 4.515 1.00 0.00 O ATOM 627 CB ARG A 38 0.346 3.900 3.254 1.00 0.00 C ATOM 628 CG ARG A 38 1.402 2.830 3.109 1.00 0.00 C ATOM 629 CD ARG A 38 2.479 3.246 2.121 1.00 0.00 C ATOM 630 NE ARG A 38 2.893 4.637 2.276 1.00 0.00 N ATOM 631 CZ ARG A 38 4.091 4.997 2.732 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.950 4.075 3.147 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.434 6.277 2.776 1.00 0.00 N ATOM 0 H ARG A 38 -1.951 3.413 2.230 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.603 2.639 4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.033 4.223 2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.787 4.766 3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.855 2.629 4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.938 1.902 2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.347 2.599 2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.111 3.094 1.106 1.00 0.00 H new ATOM 0 HE ARG A 38 2.231 5.370 2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.693 3.088 3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.867 4.353 3.496 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.779 6.992 2.460 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.353 6.547 3.126 1.00 0.00 H new ATOM 647 N VAL A 39 -0.814 4.777 6.082 1.00 0.00 N ATOM 648 CA VAL A 39 -1.225 5.825 7.016 1.00 0.00 C ATOM 649 C VAL A 39 -0.931 7.220 6.474 1.00 0.00 C ATOM 650 O VAL A 39 0.168 7.493 5.995 1.00 0.00 O ATOM 651 CB VAL A 39 -0.519 5.671 8.378 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.000 6.734 9.355 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.743 4.280 8.944 1.00 0.00 C ATOM 0 H VAL A 39 -0.038 4.203 6.411 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.302 5.711 7.144 1.00 0.00 H new ATOM 0 HB VAL A 39 0.552 5.808 8.225 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.490 6.608 10.310 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.780 7.723 8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.075 6.633 9.502 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.237 4.192 9.905 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.811 4.110 9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.342 3.538 8.254 1.00 0.00 H new ATOM 663 N GLY A 40 -1.921 8.105 6.570 1.00 0.00 N ATOM 664 CA GLY A 40 -1.754 9.468 6.099 1.00 0.00 C ATOM 665 C GLY A 40 -1.853 9.586 4.591 1.00 0.00 C ATOM 666 O GLY A 40 -1.461 10.601 4.016 1.00 0.00 O ATOM 0 H GLY A 40 -2.838 7.900 6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.512 10.102 6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.784 9.844 6.425 1.00 0.00 H new ATOM 670 N PHE A 41 -2.378 8.549 3.949 1.00 0.00 N ATOM 671 CA PHE A 41 -2.525 8.545 2.499 1.00 0.00 C ATOM 672 C PHE A 41 -3.890 8.014 2.094 1.00 0.00 C ATOM 673 O PHE A 41 -4.240 8.011 0.914 1.00 0.00 O ATOM 674 CB PHE A 41 -1.421 7.706 1.865 1.00 0.00 C ATOM 675 CG PHE A 41 -0.052 8.144 2.284 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.471 9.348 1.844 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.702 7.360 3.135 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.728 9.760 2.243 1.00 0.00 C ATOM 679 CE2 PHE A 41 1.957 7.766 3.542 1.00 0.00 C ATOM 680 CZ PHE A 41 2.472 8.968 3.095 1.00 0.00 C ATOM 0 H PHE A 41 -2.709 7.701 4.409 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.441 9.571 2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.563 6.660 2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.502 7.767 0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.110 9.972 1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.305 6.419 3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.128 10.699 1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.536 7.145 4.209 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.454 9.287 3.411 1.00 0.00 H new ATOM 690 N VAL A 42 -4.647 7.549 3.080 1.00 0.00 N ATOM 691 CA VAL A 42 -5.987 7.027 2.839 1.00 0.00 C ATOM 692 C VAL A 42 -6.764 7.923 1.873 1.00 0.00 C ATOM 693 O VAL A 42 -6.906 9.124 2.101 1.00 0.00 O ATOM 694 CB VAL A 42 -6.782 6.892 4.153 1.00 0.00 C ATOM 695 CG1 VAL A 42 -6.786 8.208 4.917 1.00 0.00 C ATOM 696 CG2 VAL A 42 -8.202 6.426 3.874 1.00 0.00 C ATOM 0 H VAL A 42 -4.355 7.523 4.057 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.866 6.039 2.394 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.293 6.141 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.352 8.091 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.761 8.495 5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.247 8.983 4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.747 6.337 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.703 7.150 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.176 5.457 3.376 1.00 0.00 H new ATOM 706 N GLY A 43 -7.258 7.328 0.791 1.00 0.00 N ATOM 707 CA GLY A 43 -8.012 8.084 -0.193 1.00 0.00 C ATOM 708 C GLY A 43 -7.142 8.610 -1.317 1.00 0.00 C ATOM 709 O GLY A 43 -7.554 8.624 -2.476 1.00 0.00 O ATOM 0 H GLY A 43 -7.150 6.336 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.795 7.450 -0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.508 8.921 0.299 1.00 0.00 H new ATOM 713 N LYS A 44 -5.933 9.046 -0.972 1.00 0.00 N ATOM 714 CA LYS A 44 -4.998 9.578 -1.952 1.00 0.00 C ATOM 715 C LYS A 44 -4.653 8.534 -3.011 1.00 0.00 C ATOM 716 O LYS A 44 -5.002 7.361 -2.878 1.00 0.00 O ATOM 717 CB LYS A 44 -3.722 10.047 -1.255 1.00 0.00 C ATOM 718 CG LYS A 44 -3.955 11.148 -0.232 1.00 0.00 C ATOM 719 CD LYS A 44 -2.650 11.628 0.383 1.00 0.00 C ATOM 720 CE LYS A 44 -1.768 12.325 -0.643 1.00 0.00 C ATOM 721 NZ LYS A 44 -0.490 12.802 -0.045 1.00 0.00 N ATOM 0 H LYS A 44 -5.579 9.040 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.475 10.423 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.255 9.196 -0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.018 10.404 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.463 11.986 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.615 10.781 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.864 12.312 1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.114 10.779 0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.552 11.639 -1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.307 13.171 -1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.082 13.271 -0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.695 13.477 0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.037 11.992 0.340 1.00 0.00 H new ATOM 735 N ASP A 45 -3.965 8.973 -4.058 1.00 0.00 N ATOM 736 CA ASP A 45 -3.563 8.090 -5.139 1.00 0.00 C ATOM 737 C ASP A 45 -2.317 7.300 -4.757 1.00 0.00 C ATOM 738 O ASP A 45 -2.341 6.071 -4.693 1.00 0.00 O ATOM 739 CB ASP A 45 -3.296 8.907 -6.401 1.00 0.00 C ATOM 740 CG ASP A 45 -4.573 9.280 -7.132 1.00 0.00 C ATOM 741 OD1 ASP A 45 -5.143 10.347 -6.822 1.00 0.00 O ATOM 742 OD2 ASP A 45 -4.999 8.505 -8.013 1.00 0.00 O ATOM 0 H ASP A 45 -3.673 9.943 -4.179 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.372 7.384 -5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.755 9.815 -6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.651 8.337 -7.070 1.00 0.00 H new ATOM 747 N VAL A 46 -1.231 8.019 -4.505 1.00 0.00 N ATOM 748 CA VAL A 46 0.030 7.400 -4.126 1.00 0.00 C ATOM 749 C VAL A 46 0.249 7.492 -2.622 1.00 0.00 C ATOM 750 O VAL A 46 -0.119 8.481 -1.987 1.00 0.00 O ATOM 751 CB VAL A 46 1.218 8.057 -4.854 1.00 0.00 C ATOM 752 CG1 VAL A 46 1.409 9.489 -4.384 1.00 0.00 C ATOM 753 CG2 VAL A 46 2.488 7.244 -4.652 1.00 0.00 C ATOM 0 H VAL A 46 -1.200 9.037 -4.557 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.026 6.352 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 46 0.997 8.078 -5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.253 9.935 -4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.507 10.064 -4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.605 9.497 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.315 7.725 -5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.716 7.184 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.344 6.239 -5.049 1.00 0.00 H new ATOM 763 N LEU A 47 0.846 6.451 -2.059 1.00 0.00 N ATOM 764 CA LEU A 47 1.118 6.406 -0.631 1.00 0.00 C ATOM 765 C LEU A 47 2.586 6.722 -0.363 1.00 0.00 C ATOM 766 O LEU A 47 2.913 7.543 0.494 1.00 0.00 O ATOM 767 CB LEU A 47 0.763 5.029 -0.078 1.00 0.00 C ATOM 768 CG LEU A 47 -0.486 4.384 -0.691 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.684 2.977 -0.148 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.720 5.235 -0.426 1.00 0.00 C ATOM 0 H LEU A 47 1.152 5.624 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 47 0.506 7.156 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.611 4.362 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.618 5.113 0.999 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.340 4.321 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.575 2.537 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.185 2.367 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.804 3.018 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.593 4.758 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.869 5.335 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.583 6.222 -0.867 1.00 0.00 H new ATOM 782 N SER A 48 3.461 6.051 -1.104 1.00 0.00 N ATOM 783 CA SER A 48 4.902 6.246 -0.992 1.00 0.00 C ATOM 784 C SER A 48 5.289 7.722 -1.080 1.00 0.00 C ATOM 785 O SER A 48 4.441 8.588 -1.289 1.00 0.00 O ATOM 786 CB SER A 48 5.597 5.476 -2.108 1.00 0.00 C ATOM 787 OG SER A 48 5.366 6.081 -3.369 1.00 0.00 O ATOM 0 H SER A 48 3.191 5.356 -1.800 1.00 0.00 H new ATOM 0 HA SER A 48 5.216 5.878 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.668 5.435 -1.912 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.236 4.448 -2.123 1.00 0.00 H new ATOM 0 HG SER A 48 5.824 5.568 -4.067 1.00 0.00 H new ATOM 793 N ASP A 49 6.587 7.996 -0.935 1.00 0.00 N ATOM 794 CA ASP A 49 7.095 9.364 -0.996 1.00 0.00 C ATOM 795 C ASP A 49 8.571 9.393 -1.380 1.00 0.00 C ATOM 796 O ASP A 49 8.915 9.461 -2.560 1.00 0.00 O ATOM 797 CB ASP A 49 6.901 10.074 0.346 1.00 0.00 C ATOM 798 CG ASP A 49 5.461 10.483 0.587 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.085 11.601 0.177 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.711 9.685 1.185 1.00 0.00 O ATOM 0 H ASP A 49 7.303 7.288 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 49 6.526 9.887 -1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.227 9.416 1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.537 10.959 0.380 1.00 0.00 H new ATOM 805 N GLU A 50 9.438 9.340 -0.373 1.00 0.00 N ATOM 806 CA GLU A 50 10.875 9.374 -0.593 1.00 0.00 C ATOM 807 C GLU A 50 11.569 8.203 0.097 1.00 0.00 C ATOM 808 O GLU A 50 12.552 7.663 -0.412 1.00 0.00 O ATOM 809 CB GLU A 50 11.434 10.692 -0.068 1.00 0.00 C ATOM 810 CG GLU A 50 11.260 10.871 1.432 1.00 0.00 C ATOM 811 CD GLU A 50 11.839 12.178 1.935 1.00 0.00 C ATOM 812 OE1 GLU A 50 13.033 12.197 2.301 1.00 0.00 O ATOM 813 OE2 GLU A 50 11.099 13.183 1.965 1.00 0.00 O ATOM 0 H GLU A 50 9.165 9.273 0.608 1.00 0.00 H new ATOM 0 HA GLU A 50 11.063 9.291 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.495 10.750 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.942 11.517 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.199 10.830 1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.740 10.042 1.951 1.00 0.00 H new ATOM 820 N ILE A 51 11.052 7.821 1.258 1.00 0.00 N ATOM 821 CA ILE A 51 11.619 6.720 2.026 1.00 0.00 C ATOM 822 C ILE A 51 11.363 5.384 1.345 1.00 0.00 C ATOM 823 O ILE A 51 12.253 4.812 0.721 1.00 0.00 O ATOM 824 CB ILE A 51 11.021 6.679 3.441 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.156 8.044 4.110 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.689 5.597 4.278 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.584 8.426 4.436 1.00 0.00 C ATOM 0 H ILE A 51 10.238 8.259 1.689 1.00 0.00 H new ATOM 0 HA ILE A 51 12.694 6.890 2.087 1.00 0.00 H new ATOM 0 HB ILE A 51 9.961 6.436 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.727 8.803 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.570 8.047 5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.250 5.586 5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.539 4.627 3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.757 5.803 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.599 9.408 4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.012 7.689 5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.171 8.456 3.518 1.00 0.00 H new ATOM 839 N LEU A 52 10.145 4.883 1.495 1.00 0.00 N ATOM 840 CA LEU A 52 9.759 3.615 0.888 1.00 0.00 C ATOM 841 C LEU A 52 8.938 3.830 -0.377 1.00 0.00 C ATOM 842 O LEU A 52 7.852 4.403 -0.322 1.00 0.00 O ATOM 843 CB LEU A 52 8.946 2.778 1.877 1.00 0.00 C ATOM 844 CG LEU A 52 9.761 1.820 2.741 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.947 1.360 3.940 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.224 0.626 1.923 1.00 0.00 C ATOM 0 H LEU A 52 9.405 5.335 2.032 1.00 0.00 H new ATOM 0 HA LEU A 52 10.675 3.088 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.394 3.453 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.208 2.201 1.319 1.00 0.00 H new ATOM 0 HG LEU A 52 10.641 2.350 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.544 0.677 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.664 2.224 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.049 0.848 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.804 -0.046 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.357 0.096 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.845 0.970 1.096 1.00 0.00 H new ATOM 858 N GLU A 53 9.473 3.392 -1.516 1.00 0.00 N ATOM 859 CA GLU A 53 8.761 3.497 -2.782 1.00 0.00 C ATOM 860 C GLU A 53 7.604 2.511 -2.793 1.00 0.00 C ATOM 861 O GLU A 53 7.603 1.537 -3.546 1.00 0.00 O ATOM 862 CB GLU A 53 9.699 3.211 -3.952 1.00 0.00 C ATOM 863 CG GLU A 53 10.118 4.451 -4.708 1.00 0.00 C ATOM 864 CD GLU A 53 9.286 4.689 -5.952 1.00 0.00 C ATOM 865 OE1 GLU A 53 9.665 4.178 -7.027 1.00 0.00 O ATOM 866 OE2 GLU A 53 8.254 5.385 -5.853 1.00 0.00 O ATOM 0 H GLU A 53 10.396 2.962 -1.585 1.00 0.00 H new ATOM 0 HA GLU A 53 8.378 4.512 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.589 2.705 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.208 2.524 -4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.036 5.317 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.167 4.362 -4.990 1.00 0.00 H new ATOM 873 N VAL A 54 6.628 2.765 -1.934 1.00 0.00 N ATOM 874 CA VAL A 54 5.470 1.904 -1.815 1.00 0.00 C ATOM 875 C VAL A 54 4.556 2.018 -3.021 1.00 0.00 C ATOM 876 O VAL A 54 3.557 2.737 -2.990 1.00 0.00 O ATOM 877 CB VAL A 54 4.654 2.224 -0.555 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.586 1.167 -0.347 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.562 2.339 0.660 1.00 0.00 C ATOM 0 H VAL A 54 6.620 3.569 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 54 5.857 0.887 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 54 4.161 3.187 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.012 1.402 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.920 1.148 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.058 0.191 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.963 2.566 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.088 1.396 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.287 3.137 0.498 1.00 0.00 H new ATOM 889 N VAL A 55 4.909 1.320 -4.087 1.00 0.00 N ATOM 890 CA VAL A 55 4.092 1.319 -5.282 1.00 0.00 C ATOM 891 C VAL A 55 2.879 0.441 -5.044 1.00 0.00 C ATOM 892 O VAL A 55 2.822 -0.711 -5.472 1.00 0.00 O ATOM 893 CB VAL A 55 4.853 0.804 -6.504 1.00 0.00 C ATOM 894 CG1 VAL A 55 4.010 0.983 -7.754 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.192 1.515 -6.640 1.00 0.00 C ATOM 0 H VAL A 55 5.753 0.750 -4.147 1.00 0.00 H new ATOM 0 HA VAL A 55 3.797 2.348 -5.488 1.00 0.00 H new ATOM 0 HB VAL A 55 5.053 -0.259 -6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.560 0.614 -8.620 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.080 0.424 -7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.784 2.040 -7.892 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.719 1.135 -7.515 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.025 2.586 -6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.792 1.334 -5.748 1.00 0.00 H new ATOM 905 N CYS A 56 1.927 1.003 -4.336 1.00 0.00 N ATOM 906 CA CYS A 56 0.706 0.300 -3.984 1.00 0.00 C ATOM 907 C CYS A 56 -0.403 0.587 -4.978 1.00 0.00 C ATOM 908 O CYS A 56 -0.571 1.719 -5.434 1.00 0.00 O ATOM 909 CB CYS A 56 0.252 0.696 -2.578 1.00 0.00 C ATOM 910 SG CYS A 56 -1.399 0.105 -2.141 1.00 0.00 S ATOM 0 H CYS A 56 1.973 1.960 -3.986 1.00 0.00 H new ATOM 0 HA CYS A 56 0.921 -0.768 -4.009 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.968 0.308 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.271 1.783 -2.494 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.609 0.301 -0.873 1.00 0.00 H new ATOM 916 N LYS A 57 -1.158 -0.448 -5.308 1.00 0.00 N ATOM 917 CA LYS A 57 -2.264 -0.318 -6.234 1.00 0.00 C ATOM 918 C LYS A 57 -3.500 -0.971 -5.650 1.00 0.00 C ATOM 919 O LYS A 57 -3.588 -2.200 -5.555 1.00 0.00 O ATOM 920 CB LYS A 57 -1.928 -0.961 -7.575 1.00 0.00 C ATOM 921 CG LYS A 57 -0.529 -0.643 -8.075 1.00 0.00 C ATOM 922 CD LYS A 57 -0.249 -1.307 -9.414 1.00 0.00 C ATOM 923 CE LYS A 57 1.152 -0.993 -9.911 1.00 0.00 C ATOM 924 NZ LYS A 57 2.198 -1.473 -8.966 1.00 0.00 N ATOM 0 H LYS A 57 -1.022 -1.391 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.453 0.743 -6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.035 -2.042 -7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.653 -0.629 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.413 0.436 -8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.205 -0.977 -7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.368 -2.386 -9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.980 -0.970 -10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.304 -1.456 -10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.255 0.083 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.118 -1.068 -9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.955 -1.176 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.252 -2.511 -9.006 1.00 0.00 H new ATOM 938 N TYR A 58 -4.444 -0.146 -5.237 1.00 0.00 N ATOM 939 CA TYR A 58 -5.679 -0.648 -4.668 1.00 0.00 C ATOM 940 C TYR A 58 -6.534 -1.247 -5.773 1.00 0.00 C ATOM 941 O TYR A 58 -7.066 -0.532 -6.622 1.00 0.00 O ATOM 942 CB TYR A 58 -6.446 0.465 -3.935 1.00 0.00 C ATOM 943 CG TYR A 58 -7.694 -0.010 -3.215 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.637 -0.815 -3.855 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.934 0.353 -1.894 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.771 -1.248 -3.207 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.075 -0.075 -1.241 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.989 -0.876 -1.900 1.00 0.00 C ATOM 949 OH TYR A 58 -11.123 -1.300 -1.248 1.00 0.00 O ATOM 0 H TYR A 58 -4.379 0.871 -5.285 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.440 -1.419 -3.935 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.779 0.935 -3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.726 1.233 -4.656 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.473 -1.105 -4.882 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.222 0.976 -1.373 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.485 -1.875 -3.720 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.252 0.216 -0.216 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.124 -0.950 -0.332 1.00 0.00 H new ATOM 959 N THR A 59 -6.657 -2.566 -5.757 1.00 0.00 N ATOM 960 CA THR A 59 -7.454 -3.271 -6.742 1.00 0.00 C ATOM 961 C THR A 59 -8.870 -3.504 -6.215 1.00 0.00 C ATOM 962 O THR A 59 -9.067 -4.242 -5.252 1.00 0.00 O ATOM 963 CB THR A 59 -6.798 -4.615 -7.106 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.925 -5.033 -6.052 1.00 0.00 O ATOM 965 CG2 THR A 59 -6.014 -4.503 -8.404 1.00 0.00 C ATOM 0 H THR A 59 -6.211 -3.170 -5.067 1.00 0.00 H new ATOM 0 HA THR A 59 -7.511 -2.656 -7.640 1.00 0.00 H new ATOM 0 HB THR A 59 -7.588 -5.354 -7.241 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.112 -5.423 -6.436 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.560 -5.466 -8.639 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.686 -4.212 -9.211 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.233 -3.751 -8.293 1.00 0.00 H new ATOM 973 N PRO A 60 -9.874 -2.852 -6.825 1.00 0.00 N ATOM 974 CA PRO A 60 -11.266 -2.973 -6.415 1.00 0.00 C ATOM 975 C PRO A 60 -12.043 -4.028 -7.190 1.00 0.00 C ATOM 976 O PRO A 60 -12.432 -5.061 -6.647 1.00 0.00 O ATOM 977 CB PRO A 60 -11.803 -1.577 -6.719 1.00 0.00 C ATOM 978 CG PRO A 60 -10.990 -1.080 -7.877 1.00 0.00 C ATOM 979 CD PRO A 60 -9.736 -1.917 -7.948 1.00 0.00 C ATOM 0 HA PRO A 60 -11.364 -3.292 -5.377 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.863 -1.610 -6.969 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.699 -0.920 -5.856 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.557 -1.160 -8.805 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.740 -0.027 -7.746 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.660 -2.443 -8.899 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.840 -1.304 -7.850 1.00 0.00 H new ATOM 987 N THR A 61 -12.269 -3.749 -8.457 1.00 0.00 N ATOM 988 CA THR A 61 -13.009 -4.652 -9.334 1.00 0.00 C ATOM 989 C THR A 61 -12.254 -4.877 -10.645 1.00 0.00 C ATOM 990 O THR A 61 -11.644 -3.950 -11.180 1.00 0.00 O ATOM 991 CB THR A 61 -14.410 -4.093 -9.648 1.00 0.00 C ATOM 992 OG1 THR A 61 -14.815 -3.180 -8.621 1.00 0.00 O ATOM 993 CG2 THR A 61 -15.435 -5.213 -9.759 1.00 0.00 C ATOM 0 H THR A 61 -11.949 -2.895 -8.913 1.00 0.00 H new ATOM 0 HA THR A 61 -13.113 -5.602 -8.810 1.00 0.00 H new ATOM 0 HB THR A 61 -14.357 -3.573 -10.604 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.706 -2.828 -8.829 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.414 -4.789 -9.981 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.145 -5.894 -10.559 1.00 0.00 H new ATOM 0 HG23 THR A 61 -15.481 -5.759 -8.817 1.00 0.00 H new ATOM 1001 N PRO A 62 -12.283 -6.112 -11.183 1.00 0.00 N ATOM 1002 CA PRO A 62 -11.593 -6.445 -12.434 1.00 0.00 C ATOM 1003 C PRO A 62 -12.022 -5.551 -13.592 1.00 0.00 C ATOM 1004 O PRO A 62 -13.211 -5.299 -13.789 1.00 0.00 O ATOM 1005 CB PRO A 62 -12.006 -7.896 -12.700 1.00 0.00 C ATOM 1006 CG PRO A 62 -12.394 -8.433 -11.367 1.00 0.00 C ATOM 1007 CD PRO A 62 -12.990 -7.276 -10.619 1.00 0.00 C ATOM 0 HA PRO A 62 -10.516 -6.304 -12.349 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.837 -7.948 -13.404 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.185 -8.468 -13.133 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.113 -9.246 -11.467 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -11.529 -8.835 -10.840 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.067 -7.207 -10.774 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.828 -7.364 -9.545 1.00 0.00 H new ATOM 1015 N SER A 63 -11.043 -5.074 -14.356 1.00 0.00 N ATOM 1016 CA SER A 63 -11.314 -4.209 -15.497 1.00 0.00 C ATOM 1017 C SER A 63 -11.371 -5.015 -16.790 1.00 0.00 C ATOM 1018 O SER A 63 -11.248 -6.240 -16.775 1.00 0.00 O ATOM 1019 CB SER A 63 -10.239 -3.127 -15.604 1.00 0.00 C ATOM 1020 OG SER A 63 -10.221 -2.308 -14.447 1.00 0.00 O ATOM 0 H SER A 63 -10.054 -5.273 -14.204 1.00 0.00 H new ATOM 0 HA SER A 63 -12.284 -3.737 -15.343 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.263 -3.592 -15.739 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.424 -2.513 -16.485 1.00 0.00 H new ATOM 0 HG SER A 63 -9.524 -1.626 -14.540 1.00 0.00 H new ATOM 1026 N SER A 64 -11.558 -4.319 -17.907 1.00 0.00 N ATOM 1027 CA SER A 64 -11.630 -4.971 -19.211 1.00 0.00 C ATOM 1028 C SER A 64 -10.236 -5.147 -19.807 1.00 0.00 C ATOM 1029 O SER A 64 -10.091 -5.504 -20.977 1.00 0.00 O ATOM 1030 CB SER A 64 -12.507 -4.155 -20.163 1.00 0.00 C ATOM 1031 OG SER A 64 -12.626 -4.793 -21.422 1.00 0.00 O ATOM 0 H SER A 64 -11.662 -3.305 -17.936 1.00 0.00 H new ATOM 0 HA SER A 64 -12.074 -5.957 -19.075 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.496 -4.020 -19.725 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.079 -3.161 -20.295 1.00 0.00 H new ATOM 0 HG SER A 64 -11.765 -5.191 -21.670 1.00 0.00 H new ATOM 1037 N THR A 65 -9.215 -4.894 -18.994 1.00 0.00 N ATOM 1038 CA THR A 65 -7.832 -5.023 -19.438 1.00 0.00 C ATOM 1039 C THR A 65 -7.523 -6.452 -19.880 1.00 0.00 C ATOM 1040 O THR A 65 -8.182 -7.397 -19.446 1.00 0.00 O ATOM 1041 CB THR A 65 -6.847 -4.618 -18.325 1.00 0.00 C ATOM 1042 OG1 THR A 65 -7.039 -5.450 -17.174 1.00 0.00 O ATOM 1043 CG2 THR A 65 -7.036 -3.159 -17.938 1.00 0.00 C ATOM 0 H THR A 65 -9.320 -4.598 -18.023 1.00 0.00 H new ATOM 0 HA THR A 65 -7.709 -4.351 -20.287 1.00 0.00 H new ATOM 0 HB THR A 65 -5.833 -4.749 -18.703 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.408 -5.187 -16.472 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.329 -2.897 -17.151 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.861 -2.526 -18.808 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.053 -3.007 -17.578 1.00 0.00 H new ATOM 1051 N PRO A 66 -6.512 -6.628 -20.752 1.00 0.00 N ATOM 1052 CA PRO A 66 -6.115 -7.950 -21.252 1.00 0.00 C ATOM 1053 C PRO A 66 -5.331 -8.749 -20.222 1.00 0.00 C ATOM 1054 O PRO A 66 -4.699 -9.756 -20.544 1.00 0.00 O ATOM 1055 CB PRO A 66 -5.228 -7.607 -22.444 1.00 0.00 C ATOM 1056 CG PRO A 66 -4.602 -6.317 -22.051 1.00 0.00 C ATOM 1057 CD PRO A 66 -5.677 -5.555 -21.329 1.00 0.00 C ATOM 0 HA PRO A 66 -6.974 -8.574 -21.497 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.479 -8.379 -22.622 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.809 -7.508 -23.361 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.737 -6.480 -21.408 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.251 -5.768 -22.925 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.263 -4.906 -20.557 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.247 -4.920 -22.007 1.00 0.00 H new ATOM 1065 N MET A 67 -5.382 -8.287 -18.987 1.00 0.00 N ATOM 1066 CA MET A 67 -4.683 -8.941 -17.889 1.00 0.00 C ATOM 1067 C MET A 67 -5.632 -9.210 -16.725 1.00 0.00 C ATOM 1068 O MET A 67 -5.725 -8.418 -15.789 1.00 0.00 O ATOM 1069 CB MET A 67 -3.508 -8.082 -17.418 1.00 0.00 C ATOM 1070 CG MET A 67 -2.473 -7.819 -18.500 1.00 0.00 C ATOM 1071 SD MET A 67 -1.732 -9.335 -19.135 1.00 0.00 S ATOM 1072 CE MET A 67 -0.593 -8.673 -20.348 1.00 0.00 C ATOM 0 H MET A 67 -5.904 -7.454 -18.714 1.00 0.00 H new ATOM 0 HA MET A 67 -4.301 -9.895 -18.252 1.00 0.00 H new ATOM 0 HB2 MET A 67 -3.890 -7.129 -17.053 1.00 0.00 H new ATOM 0 HB3 MET A 67 -3.023 -8.575 -16.576 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.941 -7.276 -19.321 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.689 -7.176 -18.099 1.00 0.00 H new ATOM 0 HE1 MET A 67 -0.057 -9.491 -20.829 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.148 -8.111 -21.099 1.00 0.00 H new ATOM 0 HE3 MET A 67 0.120 -8.013 -19.855 1.00 0.00 H new ATOM 1082 N VAL A 68 -6.342 -10.331 -16.801 1.00 0.00 N ATOM 1083 CA VAL A 68 -7.285 -10.713 -15.760 1.00 0.00 C ATOM 1084 C VAL A 68 -6.577 -10.905 -14.423 1.00 0.00 C ATOM 1085 O VAL A 68 -5.502 -11.502 -14.355 1.00 0.00 O ATOM 1086 CB VAL A 68 -8.036 -12.008 -16.129 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -7.055 -13.144 -16.382 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -9.030 -12.384 -15.041 1.00 0.00 C ATOM 0 H VAL A 68 -6.281 -10.992 -17.576 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.007 -9.901 -15.670 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.593 -11.829 -17.048 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.605 -14.049 -16.641 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.391 -12.875 -17.204 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.465 -13.323 -15.483 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.548 -13.301 -15.323 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.499 -12.541 -14.102 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.756 -11.580 -14.918 1.00 0.00 H new ATOM 1098 N GLY A 69 -7.189 -10.391 -13.363 1.00 0.00 N ATOM 1099 CA GLY A 69 -6.610 -10.511 -12.037 1.00 0.00 C ATOM 1100 C GLY A 69 -6.153 -9.175 -11.484 1.00 0.00 C ATOM 1101 O GLY A 69 -5.093 -9.082 -10.864 1.00 0.00 O ATOM 0 H GLY A 69 -8.078 -9.892 -13.398 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.344 -10.949 -11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.762 -11.195 -12.074 1.00 0.00 H new ATOM 1105 N VAL A 70 -6.957 -8.140 -11.708 1.00 0.00 N ATOM 1106 CA VAL A 70 -6.636 -6.801 -11.232 1.00 0.00 C ATOM 1107 C VAL A 70 -7.894 -6.075 -10.768 1.00 0.00 C ATOM 1108 O VAL A 70 -8.493 -5.306 -11.522 1.00 0.00 O ATOM 1109 CB VAL A 70 -5.944 -5.959 -12.325 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -5.601 -4.571 -11.799 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -4.698 -6.663 -12.838 1.00 0.00 C ATOM 0 H VAL A 70 -7.838 -8.205 -12.218 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.950 -6.919 -10.393 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.638 -5.846 -13.158 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.114 -3.994 -12.585 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.514 -4.063 -11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.929 -4.661 -10.946 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.226 -6.052 -13.608 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.000 -6.813 -12.015 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.974 -7.629 -13.260 1.00 0.00 H new ATOM 1121 N GLY A 71 -8.299 -6.334 -9.530 1.00 0.00 N ATOM 1122 CA GLY A 71 -9.476 -5.697 -8.991 1.00 0.00 C ATOM 1123 C GLY A 71 -10.181 -6.566 -7.976 1.00 0.00 C ATOM 1124 O GLY A 71 -10.956 -7.452 -8.337 1.00 0.00 O ATOM 0 H GLY A 71 -7.829 -6.976 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.195 -4.752 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.163 -5.460 -9.803 1.00 0.00 H new ATOM 1128 N GLY A 72 -9.910 -6.315 -6.703 1.00 0.00 N ATOM 1129 CA GLY A 72 -10.536 -7.092 -5.653 1.00 0.00 C ATOM 1130 C GLY A 72 -9.677 -7.249 -4.411 1.00 0.00 C ATOM 1131 O GLY A 72 -10.073 -7.927 -3.463 1.00 0.00 O ATOM 0 H GLY A 72 -9.270 -5.590 -6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.477 -6.618 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.780 -8.081 -6.042 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.508 -6.624 -4.412 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.593 -6.704 -3.284 1.00 0.00 C ATOM 1137 C ILE A 73 -6.741 -5.445 -3.178 1.00 0.00 C ATOM 1138 O ILE A 73 -7.070 -4.405 -3.746 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.646 -7.914 -3.396 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.978 -7.963 -4.766 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.371 -9.215 -3.106 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.701 -8.770 -4.762 1.00 0.00 C ATOM 0 H ILE A 73 -8.170 -6.053 -5.187 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.215 -6.813 -2.395 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.869 -7.790 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.672 -8.392 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.760 -6.947 -5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.673 -10.048 -3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.778 -9.187 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.184 -9.346 -3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.268 -8.771 -5.762 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.993 -8.328 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.919 -9.794 -4.460 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.646 -5.550 -2.436 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.727 -4.442 -2.251 1.00 0.00 C ATOM 1156 C TYR A 74 -3.295 -4.928 -2.462 1.00 0.00 C ATOM 1157 O TYR A 74 -2.702 -5.525 -1.564 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.889 -3.863 -0.845 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.301 -3.969 -0.304 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.759 -5.147 0.279 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.175 -2.893 -0.371 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.043 -5.246 0.776 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.462 -2.990 0.127 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.889 -4.166 0.698 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.168 -4.261 1.194 1.00 0.00 O ATOM 0 H TYR A 74 -5.373 -6.404 -1.949 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.948 -3.660 -2.978 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.210 -4.380 -0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.591 -2.815 -0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.098 -5.999 0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.846 -1.967 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.381 -6.168 1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.130 -2.144 0.067 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.634 -3.409 1.061 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.744 -4.675 -3.648 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.389 -5.116 -3.960 1.00 0.00 C ATOM 1177 C VAL A 75 -0.385 -4.007 -3.684 1.00 0.00 C ATOM 1178 O VAL A 75 -0.317 -3.014 -4.408 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.265 -5.597 -5.422 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.894 -4.599 -6.379 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.190 -5.849 -5.785 1.00 0.00 C ATOM 0 H VAL A 75 -3.212 -4.171 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.167 -5.963 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.807 -6.538 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.793 -4.962 -7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.951 -4.481 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.391 -3.637 -6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.254 -6.187 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.759 -4.927 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.602 -6.614 -5.127 1.00 0.00 H new ATOM 1191 N VAL A 76 0.396 -4.191 -2.631 1.00 0.00 N ATOM 1192 CA VAL A 76 1.387 -3.200 -2.224 1.00 0.00 C ATOM 1193 C VAL A 76 2.816 -3.611 -2.577 1.00 0.00 C ATOM 1194 O VAL A 76 3.266 -4.695 -2.213 1.00 0.00 O ATOM 1195 CB VAL A 76 1.316 -2.958 -0.706 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.275 -1.854 -0.295 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.107 -2.631 -0.279 1.00 0.00 C ATOM 0 H VAL A 76 0.364 -5.021 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 76 1.145 -2.290 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 76 1.617 -3.874 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.210 -1.698 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.293 -2.139 -0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.011 -0.931 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.134 -2.464 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.444 -1.732 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.764 -3.463 -0.534 1.00 0.00 H new ATOM 1207 N LEU A 77 3.524 -2.727 -3.286 1.00 0.00 N ATOM 1208 CA LEU A 77 4.917 -2.971 -3.656 1.00 0.00 C ATOM 1209 C LEU A 77 5.825 -2.026 -2.889 1.00 0.00 C ATOM 1210 O LEU A 77 6.003 -0.877 -3.278 1.00 0.00 O ATOM 1211 CB LEU A 77 5.132 -2.774 -5.157 1.00 0.00 C ATOM 1212 CG LEU A 77 4.473 -3.827 -6.047 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.699 -3.502 -7.516 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.008 -5.210 -5.715 1.00 0.00 C ATOM 0 H LEU A 77 3.153 -1.836 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 77 5.158 -4.004 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.750 -1.792 -5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.203 -2.769 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 77 3.400 -3.818 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.223 -4.263 -8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.268 -2.527 -7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.769 -3.483 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.529 -5.949 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.086 -5.232 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.794 -5.442 -4.672 1.00 0.00 H new ATOM 1226 N VAL A 78 6.409 -2.510 -1.808 1.00 0.00 N ATOM 1227 CA VAL A 78 7.276 -1.671 -0.992 1.00 0.00 C ATOM 1228 C VAL A 78 8.730 -1.776 -1.441 1.00 0.00 C ATOM 1229 O VAL A 78 9.387 -2.796 -1.230 1.00 0.00 O ATOM 1230 CB VAL A 78 7.165 -2.026 0.503 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.856 -0.778 1.325 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.106 -3.094 0.730 1.00 0.00 C ATOM 0 H VAL A 78 6.303 -3.468 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 78 6.940 -0.643 -1.128 1.00 0.00 H new ATOM 0 HB VAL A 78 8.124 -2.427 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.781 -1.046 2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.654 -0.048 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.912 -0.347 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.047 -3.327 1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.139 -2.727 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.372 -3.994 0.175 1.00 0.00 H new ATOM 1242 N LYS A 79 9.220 -0.709 -2.071 1.00 0.00 N ATOM 1243 CA LYS A 79 10.595 -0.661 -2.563 1.00 0.00 C ATOM 1244 C LYS A 79 11.425 0.363 -1.789 1.00 0.00 C ATOM 1245 O LYS A 79 11.413 1.547 -2.115 1.00 0.00 O ATOM 1246 CB LYS A 79 10.607 -0.310 -4.052 1.00 0.00 C ATOM 1247 CG LYS A 79 10.454 -1.515 -4.967 1.00 0.00 C ATOM 1248 CD LYS A 79 10.587 -1.126 -6.431 1.00 0.00 C ATOM 1249 CE LYS A 79 9.455 -0.212 -6.876 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.582 0.173 -8.308 1.00 0.00 N ATOM 0 H LYS A 79 8.681 0.138 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 79 11.038 -1.646 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.801 0.395 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.542 0.198 -4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.209 -2.260 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.482 -1.979 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.542 -0.625 -6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.592 -2.025 -7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.500 -0.714 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.449 0.686 -6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.792 0.796 -8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.481 0.674 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.562 -0.682 -8.900 1.00 0.00 H new ATOM 1264 N PRO A 80 12.160 -0.076 -0.751 1.00 0.00 N ATOM 1265 CA PRO A 80 12.993 0.819 0.057 1.00 0.00 C ATOM 1266 C PRO A 80 13.905 1.701 -0.787 1.00 0.00 C ATOM 1267 O PRO A 80 14.943 1.258 -1.277 1.00 0.00 O ATOM 1268 CB PRO A 80 13.822 -0.127 0.935 1.00 0.00 C ATOM 1269 CG PRO A 80 13.565 -1.505 0.415 1.00 0.00 C ATOM 1270 CD PRO A 80 12.234 -1.462 -0.275 1.00 0.00 C ATOM 0 HA PRO A 80 12.380 1.516 0.629 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.882 0.119 0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.529 -0.044 1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.350 -1.811 -0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.556 -2.231 1.228 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.181 -2.176 -1.097 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.417 -1.700 0.406 1.00 0.00 H new ATOM 1278 N ARG A 81 13.500 2.955 -0.952 1.00 0.00 N ATOM 1279 CA ARG A 81 14.267 3.922 -1.728 1.00 0.00 C ATOM 1280 C ARG A 81 15.600 4.223 -1.055 1.00 0.00 C ATOM 1281 O ARG A 81 16.594 4.515 -1.721 1.00 0.00 O ATOM 1282 CB ARG A 81 13.466 5.212 -1.886 1.00 0.00 C ATOM 1283 CG ARG A 81 13.098 5.529 -3.320 1.00 0.00 C ATOM 1284 CD ARG A 81 12.158 6.720 -3.397 1.00 0.00 C ATOM 1285 NE ARG A 81 11.822 7.063 -4.777 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.323 8.240 -5.144 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.107 9.185 -4.239 1.00 0.00 N ATOM 1288 NH2 ARG A 81 11.040 8.472 -6.419 1.00 0.00 N ATOM 0 H ARG A 81 12.638 3.328 -0.555 1.00 0.00 H new ATOM 0 HA ARG A 81 14.465 3.494 -2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.554 5.137 -1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.044 6.041 -1.477 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.002 5.739 -3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.626 4.660 -3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.244 6.497 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.621 7.579 -2.912 1.00 0.00 H new ATOM 0 HE ARG A 81 11.979 6.360 -5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.324 9.010 -3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.724 10.086 -4.524 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.205 7.748 -7.118 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.657 9.375 -6.700 1.00 0.00 H new ATOM 1302 N LYS A 82 15.611 4.149 0.271 1.00 0.00 N ATOM 1303 CA LYS A 82 16.815 4.420 1.044 1.00 0.00 C ATOM 1304 C LYS A 82 17.228 3.189 1.845 1.00 0.00 C ATOM 1305 O LYS A 82 16.540 2.169 1.826 1.00 0.00 O ATOM 1306 CB LYS A 82 16.576 5.607 1.981 1.00 0.00 C ATOM 1307 CG LYS A 82 15.983 6.819 1.279 1.00 0.00 C ATOM 1308 CD LYS A 82 15.728 7.959 2.249 1.00 0.00 C ATOM 1309 CE LYS A 82 15.049 9.133 1.559 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.893 9.701 0.471 1.00 0.00 N ATOM 0 H LYS A 82 14.797 3.903 0.834 1.00 0.00 H new ATOM 0 HA LYS A 82 17.623 4.667 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.907 5.298 2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.521 5.891 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.662 7.153 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.048 6.538 0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.104 7.607 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.672 8.287 2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.094 8.808 1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.832 9.909 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.478 10.595 0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.852 9.877 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.939 9.027 -0.320 1.00 0.00 H new ATOM 1324 N ARG A 83 18.352 3.290 2.546 1.00 0.00 N ATOM 1325 CA ARG A 83 18.850 2.178 3.350 1.00 0.00 C ATOM 1326 C ARG A 83 18.969 2.576 4.818 1.00 0.00 C ATOM 1327 O ARG A 83 19.611 3.571 5.153 1.00 0.00 O ATOM 1328 CB ARG A 83 20.205 1.708 2.821 1.00 0.00 C ATOM 1329 CG ARG A 83 20.157 1.219 1.383 1.00 0.00 C ATOM 1330 CD ARG A 83 21.527 0.775 0.897 1.00 0.00 C ATOM 1331 NE ARG A 83 22.501 1.862 0.940 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.778 1.722 0.599 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.235 0.545 0.192 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.602 2.759 0.667 1.00 0.00 N ATOM 0 H ARG A 83 18.934 4.127 2.574 1.00 0.00 H new ATOM 0 HA ARG A 83 18.136 1.358 3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.919 2.528 2.894 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.576 0.905 3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.455 0.389 1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.782 2.015 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 83 21.880 -0.052 1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 83 21.446 0.401 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 83 22.183 2.781 1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 83 23.606 -0.256 0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.216 0.441 -0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 83 24.256 3.666 0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.582 2.650 0.405 1.00 0.00 H new ATOM 1348 N GLY A 84 18.343 1.788 5.688 1.00 0.00 N ATOM 1349 CA GLY A 84 18.384 2.070 7.111 1.00 0.00 C ATOM 1350 C GLY A 84 17.131 1.602 7.825 1.00 0.00 C ATOM 1351 O GLY A 84 16.911 0.401 7.983 1.00 0.00 O ATOM 0 H GLY A 84 17.808 0.958 5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.254 1.583 7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.508 3.142 7.264 1.00 0.00 H new ATOM 1355 N HIS A 85 16.307 2.552 8.259 1.00 0.00 N ATOM 1356 CA HIS A 85 15.067 2.228 8.955 1.00 0.00 C ATOM 1357 C HIS A 85 13.858 2.599 8.107 1.00 0.00 C ATOM 1358 O HIS A 85 13.603 3.776 7.847 1.00 0.00 O ATOM 1359 CB HIS A 85 15.003 2.949 10.299 1.00 0.00 C ATOM 1360 CG HIS A 85 13.801 2.588 11.117 1.00 0.00 C ATOM 1361 ND1 HIS A 85 12.687 3.393 11.216 1.00 0.00 N ATOM 1362 CD2 HIS A 85 13.545 1.499 11.881 1.00 0.00 C ATOM 1363 CE1 HIS A 85 11.798 2.816 12.005 1.00 0.00 C ATOM 1364 NE2 HIS A 85 12.293 1.666 12.420 1.00 0.00 N ATOM 0 H HIS A 85 16.476 3.551 8.141 1.00 0.00 H new ATOM 0 HA HIS A 85 15.051 1.152 9.131 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.903 2.718 10.869 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.004 4.025 10.125 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.203 0.657 12.037 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.830 3.218 12.266 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.822 1.008 13.041 1.00 0.00 H new ATOM 1373 N HIS A 86 13.120 1.584 7.682 1.00 0.00 N ATOM 1374 CA HIS A 86 11.933 1.786 6.856 1.00 0.00 C ATOM 1375 C HIS A 86 10.783 0.913 7.347 1.00 0.00 C ATOM 1376 O HIS A 86 11.006 -0.110 7.995 1.00 0.00 O ATOM 1377 CB HIS A 86 12.238 1.457 5.392 1.00 0.00 C ATOM 1378 CG HIS A 86 13.426 2.180 4.840 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.668 2.161 5.438 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.558 2.945 3.731 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.510 2.884 4.721 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.861 3.370 3.681 1.00 0.00 N ATOM 0 H HIS A 86 13.321 0.607 7.895 1.00 0.00 H new ATOM 0 HA HIS A 86 11.641 2.833 6.933 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.403 0.384 5.298 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.365 1.699 4.786 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.901 1.666 6.299 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.781 3.178 3.018 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.553 3.049 4.948 1.00 0.00 H new ATOM 1391 N THR A 87 9.555 1.318 7.036 1.00 0.00 N ATOM 1392 CA THR A 87 8.379 0.561 7.449 1.00 0.00 C ATOM 1393 C THR A 87 7.169 0.889 6.581 1.00 0.00 C ATOM 1394 O THR A 87 7.024 2.012 6.097 1.00 0.00 O ATOM 1395 CB THR A 87 8.021 0.834 8.919 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.167 0.627 9.754 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.893 -0.078 9.366 1.00 0.00 C ATOM 0 H THR A 87 9.349 2.162 6.502 1.00 0.00 H new ATOM 0 HA THR A 87 8.633 -0.492 7.329 1.00 0.00 H new ATOM 0 HB THR A 87 7.696 1.871 9.008 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.043 -0.188 10.284 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.651 0.127 10.409 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.014 0.101 8.747 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.203 -1.118 9.263 1.00 0.00 H new ATOM 1405 N LEU A 88 6.297 -0.099 6.398 1.00 0.00 N ATOM 1406 CA LEU A 88 5.097 0.075 5.588 1.00 0.00 C ATOM 1407 C LEU A 88 3.852 0.108 6.465 1.00 0.00 C ATOM 1408 O LEU A 88 3.251 -0.928 6.749 1.00 0.00 O ATOM 1409 CB LEU A 88 4.983 -1.055 4.568 1.00 0.00 C ATOM 1410 CG LEU A 88 3.672 -1.092 3.784 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.580 0.097 2.842 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.549 -2.397 3.014 1.00 0.00 C ATOM 0 H LEU A 88 6.400 -1.030 6.801 1.00 0.00 H new ATOM 0 HA LEU A 88 5.175 1.027 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.808 -0.970 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.105 -2.006 5.087 1.00 0.00 H new ATOM 0 HG LEU A 88 2.845 -1.032 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.640 0.054 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.621 1.022 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.413 0.070 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.609 -2.406 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.381 -2.488 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.568 -3.234 3.712 1.00 0.00 H new ATOM 1424 N GLU A 89 3.476 1.303 6.898 1.00 0.00 N ATOM 1425 CA GLU A 89 2.307 1.480 7.741 1.00 0.00 C ATOM 1426 C GLU A 89 1.012 1.271 6.974 1.00 0.00 C ATOM 1427 O GLU A 89 0.526 2.179 6.306 1.00 0.00 O ATOM 1428 CB GLU A 89 2.319 2.875 8.351 1.00 0.00 C ATOM 1429 CG GLU A 89 3.348 3.030 9.445 1.00 0.00 C ATOM 1430 CD GLU A 89 3.443 4.449 9.967 1.00 0.00 C ATOM 1431 OE1 GLU A 89 4.240 5.234 9.411 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.722 4.776 10.933 1.00 0.00 O ATOM 0 H GLU A 89 3.969 2.168 6.676 1.00 0.00 H new ATOM 0 HA GLU A 89 2.352 0.726 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.516 3.607 7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.331 3.098 8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.099 2.361 10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.323 2.721 9.067 1.00 0.00 H new ATOM 1439 N LEU A 90 0.454 0.069 7.076 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.804 -0.241 6.408 1.00 0.00 C ATOM 1441 C LEU A 90 -1.911 -0.436 7.435 1.00 0.00 C ATOM 1442 O LEU A 90 -1.785 -1.245 8.355 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.675 -1.488 5.529 1.00 0.00 C ATOM 1444 CG LEU A 90 0.124 -1.296 4.236 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.132 -2.582 3.423 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.445 -0.150 3.413 1.00 0.00 C ATOM 0 H LEU A 90 0.851 -0.703 7.612 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.058 0.601 5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.204 -2.278 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.675 -1.836 5.271 1.00 0.00 H new ATOM 0 HG LEU A 90 1.151 -1.045 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.703 -2.430 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.590 -3.380 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.891 -2.859 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.139 -0.033 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.482 -0.367 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.400 0.772 3.993 1.00 0.00 H new ATOM 1458 N VAL A 91 -2.992 0.316 7.273 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.123 0.239 8.186 1.00 0.00 C ATOM 1460 C VAL A 91 -5.429 -0.007 7.438 1.00 0.00 C ATOM 1461 O VAL A 91 -5.472 0.027 6.205 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.279 1.542 8.995 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -3.793 1.353 10.426 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -3.552 2.692 8.309 1.00 0.00 C ATOM 0 H VAL A 91 -3.109 0.988 6.515 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.919 -0.595 8.857 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.338 1.795 9.037 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.913 2.286 10.977 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.377 0.569 10.908 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.741 1.069 10.418 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.675 3.602 8.896 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.492 2.454 8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.969 2.844 7.313 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.488 -0.251 8.201 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.814 -0.481 7.641 1.00 0.00 C ATOM 1476 C TYR A 92 -8.706 0.717 7.965 1.00 0.00 C ATOM 1477 O TYR A 92 -9.415 0.719 8.969 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.407 -1.771 8.220 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.470 -2.424 7.361 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.382 -2.413 5.973 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.559 -3.059 7.943 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.352 -3.013 5.192 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.532 -3.664 7.168 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.424 -3.637 5.795 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.390 -4.237 5.020 1.00 0.00 O ATOM 0 H TYR A 92 -6.452 -0.295 9.219 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.747 -0.592 6.559 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.600 -2.486 8.380 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.835 -1.550 9.198 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.542 -1.928 5.498 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.648 -3.081 9.019 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.271 -2.993 4.115 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.372 -4.155 7.637 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.075 -4.632 5.599 1.00 0.00 H new ATOM 1495 N THR A 93 -8.654 1.738 7.110 1.00 0.00 N ATOM 1496 CA THR A 93 -9.419 2.967 7.328 1.00 0.00 C ATOM 1497 C THR A 93 -10.447 3.238 6.234 1.00 0.00 C ATOM 1498 O THR A 93 -10.317 2.760 5.112 1.00 0.00 O ATOM 1499 CB THR A 93 -8.475 4.175 7.391 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.235 5.387 7.451 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.565 4.195 6.171 1.00 0.00 C ATOM 0 H THR A 93 -8.090 1.739 6.260 1.00 0.00 H new ATOM 0 HA THR A 93 -9.949 2.824 8.270 1.00 0.00 H new ATOM 0 HB THR A 93 -7.861 4.094 8.288 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.951 5.292 8.113 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.900 5.057 6.227 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.973 3.280 6.144 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.170 4.262 5.267 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.456 4.041 6.574 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.510 4.406 5.630 1.00 0.00 C ATOM 1511 C ARG A 94 -12.266 5.803 5.055 1.00 0.00 C ATOM 1512 O ARG A 94 -12.574 6.804 5.704 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.878 4.375 6.315 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.374 2.978 6.638 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.698 3.015 7.386 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.746 3.673 6.611 1.00 0.00 N ATOM 1517 CZ ARG A 94 -17.974 3.894 7.069 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.308 3.510 8.295 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.871 4.499 6.303 1.00 0.00 N ATOM 0 H ARG A 94 -11.565 4.452 7.501 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.495 3.679 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.824 4.953 7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.606 4.869 5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.492 2.410 5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.630 2.457 7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.008 1.998 7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.565 3.538 8.333 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.523 3.981 5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.621 3.044 8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.251 3.681 8.644 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.619 4.796 5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.813 4.668 6.656 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.695 5.892 3.839 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.425 7.174 3.182 1.00 0.00 C ATOM 1535 C PRO A 95 -12.583 8.159 3.307 1.00 0.00 C ATOM 1536 O PRO A 95 -12.374 9.361 3.477 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.231 6.776 1.720 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.700 5.385 1.767 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.246 4.749 3.020 1.00 0.00 C ATOM 0 HA PRO A 95 -10.572 7.685 3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.171 6.821 1.170 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.535 7.447 1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.007 4.824 0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.610 5.388 1.779 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.070 4.071 2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.483 4.165 3.535 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.801 7.640 3.220 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.997 8.455 3.312 1.00 0.00 C ATOM 1549 C PHE A 96 -15.088 9.170 4.657 1.00 0.00 C ATOM 1550 O PHE A 96 -15.478 10.336 4.724 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.219 7.567 3.102 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.236 6.877 1.766 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.534 5.698 1.573 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.952 7.408 0.706 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.545 5.061 0.346 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.968 6.776 -0.523 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.264 5.600 -0.704 1.00 0.00 C ATOM 0 H PHE A 96 -13.983 6.646 3.084 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.956 9.223 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.252 6.815 3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.120 8.173 3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.972 5.272 2.391 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.504 8.326 0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.992 4.143 0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.530 7.201 -1.342 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.276 5.104 -1.663 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.726 8.468 5.726 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.775 9.040 7.069 1.00 0.00 C ATOM 1569 C GLU A 97 -13.386 9.448 7.552 1.00 0.00 C ATOM 1570 O GLU A 97 -13.048 10.632 7.577 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.392 8.040 8.049 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.798 7.602 7.670 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.775 8.760 7.621 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.392 9.061 8.665 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.926 9.363 6.538 1.00 0.00 O ATOM 0 H GLU A 97 -14.396 7.504 5.690 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.396 9.934 7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.751 7.161 8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.415 8.486 9.043 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.772 7.112 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.151 6.863 8.390 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.586 8.458 7.934 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.246 8.726 8.424 1.00 0.00 C ATOM 1584 C GLY A 98 -10.619 7.513 9.068 1.00 0.00 C ATOM 1585 O GLY A 98 -11.184 6.420 9.035 1.00 0.00 O ATOM 0 H GLY A 98 -12.843 7.471 7.913 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.619 9.061 7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.282 9.541 9.147 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.451 7.710 9.657 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.732 6.626 10.300 1.00 0.00 C ATOM 1591 C ILE A 99 -8.932 6.647 11.810 1.00 0.00 C ATOM 1592 O ILE A 99 -9.002 7.712 12.424 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.233 6.708 9.982 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.030 7.099 8.516 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.559 5.378 10.286 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.601 7.455 8.178 1.00 0.00 C ATOM 0 H ILE A 99 -8.981 8.614 9.702 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.134 5.691 9.909 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.776 7.473 10.609 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.350 6.273 7.881 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.672 7.948 8.283 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.496 5.448 10.057 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.687 5.138 11.341 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.010 4.594 9.678 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.532 7.721 7.123 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.283 8.301 8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.956 6.600 8.379 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.023 5.462 12.401 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.226 5.333 13.839 1.00 0.00 C ATOM 1610 C LYS A 100 -8.303 4.260 14.419 1.00 0.00 C ATOM 1611 O LYS A 100 -7.668 3.515 13.673 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.690 4.988 14.128 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.654 5.491 13.068 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.093 5.149 13.415 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.983 6.380 13.368 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.390 6.064 13.736 1.00 0.00 N ATOM 0 H LYS A 100 -8.959 4.573 11.905 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.984 6.284 14.314 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.789 3.906 14.213 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.971 5.411 15.093 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.551 6.571 12.964 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.397 5.052 12.104 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.469 4.400 12.718 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.133 4.707 14.410 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.592 7.137 14.048 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.958 6.808 12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.963 6.930 13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.773 5.361 13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.418 5.680 14.702 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.211 4.168 15.759 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.359 3.180 16.427 1.00 0.00 C ATOM 1632 C PRO A 101 -7.855 1.757 16.210 1.00 0.00 C ATOM 1633 O PRO A 101 -7.064 0.828 16.044 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.453 3.556 17.914 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.048 4.921 17.940 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.924 5.010 16.728 1.00 0.00 C ATOM 0 HA PRO A 101 -6.341 3.197 16.039 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.074 2.846 18.460 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.470 3.547 18.384 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.625 5.078 18.851 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.272 5.686 17.918 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.930 4.639 16.926 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.027 6.036 16.376 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.173 1.597 16.213 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.791 0.291 16.014 1.00 0.00 C ATOM 1646 C GLU A 102 -9.438 -0.283 14.644 1.00 0.00 C ATOM 1647 O GLU A 102 -9.591 -1.481 14.404 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.304 0.397 16.158 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.905 1.432 15.235 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.412 1.536 15.368 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.123 0.806 14.647 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.880 2.348 16.193 1.00 0.00 O ATOM 0 H GLU A 102 -9.837 2.359 16.352 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.404 -0.384 16.777 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.754 -0.574 15.951 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.550 0.649 17.190 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.459 2.404 15.447 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.652 1.183 14.204 1.00 0.00 H new ATOM 1659 N ASN A 103 -8.967 0.582 13.750 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.592 0.167 12.403 1.00 0.00 C ATOM 1661 C ASN A 103 -7.524 -0.916 12.446 1.00 0.00 C ATOM 1662 O ASN A 103 -6.558 -0.816 13.202 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.077 1.363 11.602 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.155 2.394 11.318 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.066 3.146 10.348 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -10.184 2.433 12.157 1.00 0.00 N ATOM 0 H ASN A 103 -8.836 1.576 13.935 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.480 -0.237 11.917 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.263 1.838 12.150 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.662 1.010 10.658 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -10.938 3.104 12.009 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.220 1.792 12.950 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.704 -1.953 11.635 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.752 -3.041 11.573 1.00 0.00 C ATOM 1675 C GLU A 104 -5.359 -2.505 11.277 1.00 0.00 C ATOM 1676 O GLU A 104 -5.207 -1.407 10.741 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.170 -4.045 10.510 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.646 -5.365 11.089 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.053 -5.284 11.649 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -10.011 -5.530 10.885 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -9.197 -4.975 12.850 1.00 0.00 O ATOM 0 H GLU A 104 -8.505 -2.057 11.012 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.732 -3.545 12.539 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.967 -3.613 9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.328 -4.231 9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.611 -6.131 10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.963 -5.679 11.878 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.349 -3.287 11.622 1.00 0.00 N ATOM 1689 CA ARG A 105 -2.967 -2.879 11.413 1.00 0.00 C ATOM 1690 C ARG A 105 -2.238 -3.839 10.482 1.00 0.00 C ATOM 1691 O ARG A 105 -2.682 -4.963 10.259 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.240 -2.814 12.763 1.00 0.00 C ATOM 1693 CG ARG A 105 -0.819 -2.276 12.682 1.00 0.00 C ATOM 1694 CD ARG A 105 -0.753 -0.851 13.190 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.175 -0.756 14.584 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.107 0.359 15.304 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -0.634 1.474 14.762 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -1.514 0.361 16.565 1.00 0.00 N ATOM 0 H ARG A 105 -4.459 -4.207 12.048 1.00 0.00 H new ATOM 0 HA ARG A 105 -2.971 -1.894 10.946 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.816 -2.186 13.443 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.214 -3.813 13.197 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.152 -2.907 13.269 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.469 -2.316 11.651 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.266 -0.476 13.092 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.388 -0.215 12.573 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.544 -1.595 15.032 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.322 1.476 13.791 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.583 2.329 15.316 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.880 -0.494 16.984 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.461 1.217 17.117 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.142 -3.355 9.911 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.291 -4.146 9.037 1.00 0.00 C ATOM 1714 C TYR A 106 0.955 -3.339 8.696 1.00 0.00 C ATOM 1715 O TYR A 106 1.142 -2.888 7.567 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.035 -4.573 7.771 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.289 -5.598 6.949 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.413 -6.955 7.223 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.534 -5.213 5.902 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.266 -7.897 6.476 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.216 -6.149 5.150 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.079 -7.490 5.440 1.00 0.00 C ATOM 1723 OH TYR A 106 1.757 -8.426 4.694 1.00 0.00 O ATOM 0 H TYR A 106 -0.818 -2.397 10.043 1.00 0.00 H new ATOM 0 HA TYR A 106 0.001 -5.060 9.555 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.007 -4.981 8.050 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.223 -3.693 7.156 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.050 -7.278 8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.644 -4.164 5.671 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.161 -8.948 6.702 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.854 -5.832 4.338 1.00 0.00 H new ATOM 0 HH TYR A 106 1.243 -9.260 4.671 1.00 0.00 H new ATOM 1733 N THR A 107 1.794 -3.141 9.707 1.00 0.00 N ATOM 1734 CA THR A 107 3.021 -2.376 9.552 1.00 0.00 C ATOM 1735 C THR A 107 4.198 -3.280 9.213 1.00 0.00 C ATOM 1736 O THR A 107 4.798 -3.889 10.097 1.00 0.00 O ATOM 1737 CB THR A 107 3.346 -1.588 10.835 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.202 -1.568 11.697 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.754 -0.162 10.507 1.00 0.00 C ATOM 0 H THR A 107 1.643 -3.504 10.648 1.00 0.00 H new ATOM 0 HA THR A 107 2.860 -1.678 8.730 1.00 0.00 H new ATOM 0 HB THR A 107 4.177 -2.083 11.337 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.319 -2.229 12.411 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.978 0.374 11.429 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.638 -0.174 9.870 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.938 0.339 9.986 1.00 0.00 H new ATOM 1747 N LEU A 108 4.520 -3.370 7.927 1.00 0.00 N ATOM 1748 CA LEU A 108 5.630 -4.199 7.481 1.00 0.00 C ATOM 1749 C LEU A 108 6.959 -3.493 7.718 1.00 0.00 C ATOM 1750 O LEU A 108 7.419 -2.711 6.886 1.00 0.00 O ATOM 1751 CB LEU A 108 5.481 -4.557 6.000 1.00 0.00 C ATOM 1752 CG LEU A 108 6.717 -5.193 5.354 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.176 -6.406 6.149 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.426 -5.576 3.912 1.00 0.00 C ATOM 0 H LEU A 108 4.029 -2.880 7.179 1.00 0.00 H new ATOM 0 HA LEU A 108 5.616 -5.120 8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.641 -5.243 5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.227 -3.652 5.448 1.00 0.00 H new ATOM 0 HG LEU A 108 7.523 -4.459 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.054 -6.842 5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.428 -6.101 7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.375 -7.145 6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.314 -6.026 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.604 -6.292 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.150 -4.685 3.347 1.00 0.00 H new ATOM 1766 N HIS A 109 7.567 -3.769 8.865 1.00 0.00 N ATOM 1767 CA HIS A 109 8.845 -3.168 9.211 1.00 0.00 C ATOM 1768 C HIS A 109 9.974 -3.845 8.445 1.00 0.00 C ATOM 1769 O HIS A 109 9.965 -5.060 8.243 1.00 0.00 O ATOM 1770 CB HIS A 109 9.084 -3.248 10.713 1.00 0.00 C ATOM 1771 CG HIS A 109 8.349 -2.203 11.492 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.940 -1.040 11.936 1.00 0.00 N ATOM 1773 CD2 HIS A 109 7.060 -2.150 11.905 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.047 -0.315 12.588 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.899 -0.967 12.582 1.00 0.00 N ATOM 0 H HIS A 109 7.194 -4.405 9.570 1.00 0.00 H new ATOM 0 HA HIS A 109 8.823 -2.116 8.927 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.783 -4.233 11.069 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.152 -3.151 10.908 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.301 -2.899 11.734 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.226 0.646 13.047 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.032 -0.644 13.011 1.00 0.00 H new ATOM 1784 N LEU A 110 10.950 -3.047 8.037 1.00 0.00 N ATOM 1785 CA LEU A 110 12.079 -3.539 7.260 1.00 0.00 C ATOM 1786 C LEU A 110 13.355 -2.773 7.591 1.00 0.00 C ATOM 1787 O LEU A 110 13.481 -1.593 7.265 1.00 0.00 O ATOM 1788 CB LEU A 110 11.787 -3.395 5.762 1.00 0.00 C ATOM 1789 CG LEU A 110 10.585 -4.187 5.244 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.292 -3.821 3.797 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.826 -5.682 5.377 1.00 0.00 C ATOM 0 H LEU A 110 10.982 -2.047 8.233 1.00 0.00 H new ATOM 0 HA LEU A 110 12.224 -4.589 7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.627 -2.340 5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.671 -3.706 5.206 1.00 0.00 H new ATOM 0 HG LEU A 110 9.717 -3.927 5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.434 -4.393 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.071 -2.756 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.161 -4.051 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.958 -6.225 5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.706 -5.961 4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.986 -5.933 6.426 1.00 0.00 H new ATOM 1803 N ASN A 111 14.297 -3.445 8.241 1.00 0.00 N ATOM 1804 CA ASN A 111 15.569 -2.827 8.580 1.00 0.00 C ATOM 1805 C ASN A 111 16.497 -2.918 7.377 1.00 0.00 C ATOM 1806 O ASN A 111 17.517 -3.609 7.407 1.00 0.00 O ATOM 1807 CB ASN A 111 16.196 -3.508 9.798 1.00 0.00 C ATOM 1808 CG ASN A 111 17.523 -2.888 10.192 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.745 -1.694 9.996 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.413 -3.701 10.750 1.00 0.00 N ATOM 0 H ASN A 111 14.203 -4.415 8.542 1.00 0.00 H new ATOM 0 HA ASN A 111 15.406 -1.780 8.836 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.506 -3.447 10.640 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.343 -4.566 9.583 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.324 -3.341 11.035 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.185 -4.685 10.893 1.00 0.00 H new ATOM 1817 N VAL A 112 16.113 -2.218 6.314 1.00 0.00 N ATOM 1818 CA VAL A 112 16.866 -2.211 5.066 1.00 0.00 C ATOM 1819 C VAL A 112 18.368 -2.110 5.315 1.00 0.00 C ATOM 1820 O VAL A 112 18.819 -1.319 6.145 1.00 0.00 O ATOM 1821 CB VAL A 112 16.430 -1.047 4.153 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.776 -1.348 2.706 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.942 -0.768 4.302 1.00 0.00 C ATOM 0 H VAL A 112 15.272 -1.641 6.294 1.00 0.00 H new ATOM 0 HA VAL A 112 16.651 -3.158 4.570 1.00 0.00 H new ATOM 0 HB VAL A 112 16.973 -0.153 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.461 -0.516 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.853 -1.488 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.263 -2.256 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.659 0.057 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.376 -1.658 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.723 -0.502 5.336 1.00 0.00 H new ATOM 1833 N LYS A 113 19.137 -2.915 4.588 1.00 0.00 N ATOM 1834 CA LYS A 113 20.587 -2.924 4.724 1.00 0.00 C ATOM 1835 C LYS A 113 21.209 -1.718 4.026 1.00 0.00 C ATOM 1836 O LYS A 113 21.448 -0.700 4.708 1.00 0.00 O ATOM 1837 CB LYS A 113 21.160 -4.217 4.145 1.00 0.00 C ATOM 1838 CG LYS A 113 20.718 -5.466 4.889 1.00 0.00 C ATOM 1839 CD LYS A 113 21.307 -5.516 6.290 1.00 0.00 C ATOM 1840 CE LYS A 113 20.848 -6.751 7.043 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.257 -8.007 6.355 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.450 -1.803 2.804 1.00 0.00 O ATOM 0 H LYS A 113 18.776 -3.572 3.896 1.00 0.00 H new ATOM 0 HA LYS A 113 20.830 -2.867 5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.860 -4.301 3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.248 -4.161 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.630 -5.489 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 113 21.025 -6.351 4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.395 -5.510 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 113 21.014 -4.623 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 113 21.264 -6.737 8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.763 -6.731 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 21.108 -8.816 6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.686 -8.133 5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.263 -7.950 6.097 1.00 0.00 H new TER 1856 LYS A 113