USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 889 hydrogens (40 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 102 THR OG1 : rot -72:sc= 0.722 USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -1.79 F(o=-3.1,f=-1.1) USER MOD Set 2.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= -0.427 USER MOD Set 3.1: A 52 ASN : amide:sc= -1.4 K(o=-1.3,f=-5.4!) USER MOD Set 3.2: A 67 TYR OH : rot -148:sc= 0.201 USER MOD Set 3.3: A 78 THR OG1 : rot 180:sc= -0.0572 USER MOD Set 4.1: A 31 ASN : amide:sc= -5.62 K(o=-15,f=-26!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -9.57! C(o=-15!,f=-24!) USER MOD Single : A 1 GLY N :NH3+ 158:sc= 1.09 (180deg=0.178) USER MOD Single : A 5 LYS NZ :NH3+ 161:sc= 0.281 (180deg=0.149) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -133:sc= -0.202 (180deg=-1.31!) USER MOD Single : A 12 GLN : amide:sc= -5.41! C(o=-5.4!,f=-5.2!) USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= -0.951 (180deg=-1.34) USER MOD Single : A 16 GLN : amide:sc= 0.533 K(o=0.53,f=-0.057) USER MOD Single : A 19 THR OG1 : rot 102:sc= 1.46 USER MOD Single : A 22 LYS NZ :NH3+ 147:sc= -0.179 (180deg=-1.05) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.493 K(o=0.49,f=-4.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 91:sc= -0.77 USER MOD Single : A 42 GLN :FLIP amide:sc= 0.273 F(o=-3.7!,f=0.27) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -95:sc= -0.78 USER MOD Single : A 49 THR OG1 : rot 140:sc= -0.0466 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.36! C(o=-10!,f=-4.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 79:sc= -3.04! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -13.4! C(o=-13!,f=-20!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -162:sc= -0.522 (180deg=-0.82) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.603) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 144:sc= 0.0934 USER MOD Single : A 99 LYS NZ :NH3+ -160:sc= 0.163 (180deg=0.0962) USER MOD Single : A 100 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00564) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 74.783 10.940 -6.967 1.00 0.00 N ATOM 2 CA GLY A 1 74.484 9.555 -6.503 1.00 0.00 C ATOM 3 C GLY A 1 73.847 8.761 -7.638 1.00 0.00 C ATOM 4 O GLY A 1 72.685 8.364 -7.555 1.00 0.00 O ATOM 0 H1 GLY A 1 74.858 11.573 -6.145 1.00 0.00 H new ATOM 0 H2 GLY A 1 75.682 10.944 -7.490 1.00 0.00 H new ATOM 0 H3 GLY A 1 74.018 11.270 -7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 1 75.400 9.066 -6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 1 73.812 9.585 -5.645 1.00 0.00 H new ATOM 10 N ASP A 2 74.617 8.534 -8.698 1.00 0.00 N ATOM 11 CA ASP A 2 74.121 7.785 -9.850 1.00 0.00 C ATOM 12 C ASP A 2 74.481 6.311 -9.727 1.00 0.00 C ATOM 13 O ASP A 2 75.478 5.856 -10.285 1.00 0.00 O ATOM 14 CB ASP A 2 74.722 8.347 -11.137 1.00 0.00 C ATOM 15 CG ASP A 2 74.108 9.707 -11.449 1.00 0.00 C ATOM 16 OD1 ASP A 2 73.075 10.015 -10.877 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.679 10.421 -12.258 1.00 0.00 O1- ATOM 0 H ASP A 2 75.581 8.855 -8.784 1.00 0.00 H new ATOM 0 HA ASP A 2 73.036 7.883 -9.880 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.803 8.442 -11.032 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.541 7.659 -11.963 1.00 0.00 H new ATOM 22 N VAL A 3 73.656 5.569 -8.999 1.00 0.00 N ATOM 23 CA VAL A 3 73.889 4.144 -8.814 1.00 0.00 C ATOM 24 C VAL A 3 74.212 3.479 -10.149 1.00 0.00 C ATOM 25 O VAL A 3 74.778 2.385 -10.187 1.00 0.00 O ATOM 26 CB VAL A 3 72.648 3.494 -8.197 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.412 3.869 -9.016 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.815 1.971 -8.192 1.00 0.00 C ATOM 0 H VAL A 3 72.825 5.928 -8.530 1.00 0.00 H new ATOM 0 HA VAL A 3 74.738 4.011 -8.144 1.00 0.00 H new ATOM 0 HB VAL A 3 72.526 3.849 -7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.529 3.405 -8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.291 4.952 -9.017 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.534 3.517 -10.040 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.931 1.509 -7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.940 1.615 -9.215 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.694 1.703 -7.605 1.00 0.00 H new ATOM 38 N GLU A 4 73.851 4.144 -11.243 1.00 0.00 N ATOM 39 CA GLU A 4 74.112 3.598 -12.570 1.00 0.00 C ATOM 40 C GLU A 4 75.599 3.679 -12.900 1.00 0.00 C ATOM 41 O GLU A 4 76.248 2.661 -13.152 1.00 0.00 O ATOM 42 CB GLU A 4 73.309 4.367 -13.621 1.00 0.00 C ATOM 43 CG GLU A 4 71.827 4.005 -13.495 1.00 0.00 C ATOM 44 CD GLU A 4 71.589 2.594 -14.023 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.537 2.436 -15.231 1.00 0.00 O ATOM 46 OE2 GLU A 4 71.462 1.693 -13.210 1.00 0.00 O1- ATOM 0 H GLU A 4 73.383 5.050 -11.238 1.00 0.00 H new ATOM 0 HA GLU A 4 73.807 2.552 -12.577 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.445 5.440 -13.485 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.670 4.124 -14.620 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.516 4.070 -12.452 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.221 4.718 -14.053 1.00 0.00 H new ATOM 53 N LYS A 5 76.141 4.892 -12.882 1.00 0.00 N ATOM 54 CA LYS A 5 77.556 5.077 -13.171 1.00 0.00 C ATOM 55 C LYS A 5 78.387 4.538 -12.019 1.00 0.00 C ATOM 56 O LYS A 5 79.567 4.228 -12.181 1.00 0.00 O ATOM 57 CB LYS A 5 77.863 6.561 -13.389 1.00 0.00 C ATOM 58 CG LYS A 5 77.161 7.047 -14.660 1.00 0.00 C ATOM 59 CD LYS A 5 77.532 8.512 -14.932 1.00 0.00 C ATOM 60 CE LYS A 5 76.595 9.442 -14.154 1.00 0.00 C ATOM 61 NZ LYS A 5 75.361 9.689 -14.954 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.630 5.750 -12.673 1.00 0.00 H new ATOM 0 HA LYS A 5 77.807 4.532 -14.081 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.527 7.143 -12.530 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.939 6.712 -13.475 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.452 6.426 -15.507 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.081 6.950 -14.549 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.566 8.695 -14.638 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.462 8.721 -15.999 1.00 0.00 H new ATOM 0 HE2 LYS A 5 76.335 8.994 -13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 5 77.097 10.385 -13.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 74.606 10.036 -14.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 75.559 10.401 -15.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.057 8.803 -15.406 1.00 0.00 H new ATOM 75 N GLY A 6 77.754 4.407 -10.860 1.00 0.00 N ATOM 76 CA GLY A 6 78.440 3.876 -9.694 1.00 0.00 C ATOM 77 C GLY A 6 78.698 2.394 -9.900 1.00 0.00 C ATOM 78 O GLY A 6 79.715 1.857 -9.461 1.00 0.00 O ATOM 0 H GLY A 6 76.778 4.659 -10.705 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.381 4.403 -9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.837 4.032 -8.800 1.00 0.00 H new ATOM 82 N LYS A 7 77.769 1.746 -10.595 1.00 0.00 N ATOM 83 CA LYS A 7 77.894 0.328 -10.888 1.00 0.00 C ATOM 84 C LYS A 7 79.025 0.106 -11.886 1.00 0.00 C ATOM 85 O LYS A 7 79.829 -0.810 -11.731 1.00 0.00 O ATOM 86 CB LYS A 7 76.583 -0.202 -11.476 1.00 0.00 C ATOM 87 CG LYS A 7 76.626 -1.737 -11.548 1.00 0.00 C ATOM 88 CD LYS A 7 75.840 -2.225 -12.772 1.00 0.00 C ATOM 89 CE LYS A 7 76.743 -2.201 -14.008 1.00 0.00 C ATOM 90 NZ LYS A 7 75.904 -2.260 -15.239 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.924 2.182 -10.964 1.00 0.00 H new ATOM 0 HA LYS A 7 78.115 -0.206 -9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.742 0.119 -10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.426 0.213 -12.471 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.659 -2.078 -11.609 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.203 -2.164 -10.639 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.470 -3.236 -12.599 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.969 -1.590 -12.934 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.349 -1.295 -14.011 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.432 -3.045 -13.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 76.518 -2.244 -16.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 75.345 -3.137 -15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.264 -1.441 -15.262 1.00 0.00 H new ATOM 104 N LYS A 8 79.081 0.957 -12.910 1.00 0.00 N ATOM 105 CA LYS A 8 80.123 0.841 -13.926 1.00 0.00 C ATOM 106 C LYS A 8 81.509 0.967 -13.295 1.00 0.00 C ATOM 107 O LYS A 8 82.403 0.152 -13.546 1.00 0.00 O ATOM 108 CB LYS A 8 79.934 1.932 -14.986 1.00 0.00 C ATOM 109 CG LYS A 8 81.083 1.878 -16.007 1.00 0.00 C ATOM 110 CD LYS A 8 82.122 2.964 -15.691 1.00 0.00 C ATOM 111 CE LYS A 8 81.676 4.296 -16.297 1.00 0.00 C ATOM 112 NZ LYS A 8 81.562 4.156 -17.777 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.425 1.725 -13.056 1.00 0.00 H new ATOM 0 HA LYS A 8 80.044 -0.140 -14.395 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.979 1.796 -15.493 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.905 2.912 -14.510 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.554 0.895 -15.984 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.692 2.020 -17.014 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.240 3.065 -14.612 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.094 2.678 -16.092 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.717 4.597 -15.875 1.00 0.00 H new ATOM 0 HE3 LYS A 8 82.393 5.079 -16.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.033 4.960 -18.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.016 3.270 -18.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 80.558 4.140 -18.048 1.00 0.00 H new ATOM 126 N ILE A 9 81.678 1.993 -12.472 1.00 0.00 N ATOM 127 CA ILE A 9 82.952 2.224 -11.811 1.00 0.00 C ATOM 128 C ILE A 9 83.272 1.092 -10.843 1.00 0.00 C ATOM 129 O ILE A 9 84.433 0.842 -10.537 1.00 0.00 O ATOM 130 CB ILE A 9 82.899 3.547 -11.042 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.611 4.694 -12.016 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.241 3.792 -10.348 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.118 5.915 -11.237 1.00 0.00 C ATOM 0 H ILE A 9 80.953 2.674 -12.248 1.00 0.00 H new ATOM 0 HA ILE A 9 83.732 2.266 -12.571 1.00 0.00 H new ATOM 0 HB ILE A 9 82.108 3.498 -10.294 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.513 4.946 -12.574 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.860 4.387 -12.744 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.201 4.734 -9.801 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.445 2.977 -9.653 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.034 3.839 -11.095 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.913 6.731 -11.930 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.206 5.659 -10.698 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.883 6.227 -10.526 1.00 0.00 H new ATOM 145 N PHE A 10 82.234 0.428 -10.352 1.00 0.00 N ATOM 146 CA PHE A 10 82.418 -0.660 -9.394 1.00 0.00 C ATOM 147 C PHE A 10 82.866 -1.956 -10.073 1.00 0.00 C ATOM 148 O PHE A 10 83.851 -2.569 -9.660 1.00 0.00 O ATOM 149 CB PHE A 10 81.102 -0.904 -8.639 1.00 0.00 C ATOM 150 CG PHE A 10 81.053 -2.331 -8.146 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.550 -3.340 -8.977 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.519 -2.646 -6.867 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.517 -4.664 -8.529 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.483 -3.971 -6.416 1.00 0.00 C ATOM 155 CZ PHE A 10 80.983 -4.981 -7.249 1.00 0.00 C ATOM 0 H PHE A 10 81.263 0.620 -10.597 1.00 0.00 H new ATOM 0 HA PHE A 10 83.204 -0.362 -8.701 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.022 -0.216 -7.798 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.254 -0.707 -9.294 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.187 -3.095 -9.964 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.907 -1.868 -6.226 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.132 -5.442 -9.171 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.840 -4.215 -5.426 1.00 0.00 H new ATOM 0 HZ PHE A 10 80.958 -6.004 -6.903 1.00 0.00 H new ATOM 165 N VAL A 11 82.131 -2.378 -11.095 1.00 0.00 N ATOM 166 CA VAL A 11 82.459 -3.618 -11.796 1.00 0.00 C ATOM 167 C VAL A 11 83.903 -3.615 -12.262 1.00 0.00 C ATOM 168 O VAL A 11 84.533 -4.666 -12.371 1.00 0.00 O ATOM 169 CB VAL A 11 81.543 -3.806 -13.005 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.103 -3.993 -12.532 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.622 -2.571 -13.901 1.00 0.00 C ATOM 0 H VAL A 11 81.312 -1.888 -11.455 1.00 0.00 H new ATOM 0 HA VAL A 11 82.314 -4.441 -11.096 1.00 0.00 H new ATOM 0 HB VAL A 11 81.861 -4.686 -13.564 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.451 -4.127 -13.395 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.042 -4.873 -11.891 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.787 -3.113 -11.972 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.969 -2.705 -14.763 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.305 -1.693 -13.339 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.648 -2.433 -14.241 1.00 0.00 H new ATOM 181 N GLN A 12 84.416 -2.433 -12.568 1.00 0.00 N ATOM 182 CA GLN A 12 85.788 -2.326 -13.056 1.00 0.00 C ATOM 183 C GLN A 12 86.784 -1.977 -11.946 1.00 0.00 C ATOM 184 O GLN A 12 87.980 -2.229 -12.092 1.00 0.00 O ATOM 185 CB GLN A 12 85.868 -1.271 -14.163 1.00 0.00 C ATOM 186 CG GLN A 12 85.378 0.089 -13.644 1.00 0.00 C ATOM 187 CD GLN A 12 84.738 0.876 -14.781 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.028 2.060 -14.957 1.00 0.00 O ATOM 189 NE2 GLN A 12 83.880 0.288 -15.564 1.00 0.00 N ATOM 0 H GLN A 12 83.916 -1.547 -12.490 1.00 0.00 H new ATOM 0 HA GLN A 12 86.063 -3.306 -13.446 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.895 -1.184 -14.517 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.263 -1.582 -15.015 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.657 -0.057 -12.840 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.213 0.651 -13.226 1.00 0.00 H new ATOM 0 HE21 GLN A 12 83.642 -0.693 -15.415 1.00 0.00 H new ATOM 0 HE22 GLN A 12 83.445 0.808 -16.326 1.00 0.00 H new ATOM 198 N LYS A 13 86.312 -1.370 -10.855 1.00 0.00 N ATOM 199 CA LYS A 13 87.223 -0.977 -9.773 1.00 0.00 C ATOM 200 C LYS A 13 87.209 -1.928 -8.574 1.00 0.00 C ATOM 201 O LYS A 13 88.232 -2.522 -8.240 1.00 0.00 O ATOM 202 CB LYS A 13 86.884 0.435 -9.287 1.00 0.00 C ATOM 203 CG LYS A 13 87.241 1.458 -10.376 1.00 0.00 C ATOM 204 CD LYS A 13 88.547 2.174 -10.011 1.00 0.00 C ATOM 205 CE LYS A 13 88.326 3.071 -8.784 1.00 0.00 C ATOM 206 NZ LYS A 13 88.609 4.487 -9.152 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.330 -1.143 -10.697 1.00 0.00 H new ATOM 0 HA LYS A 13 88.225 -1.016 -10.201 1.00 0.00 H new ATOM 0 HB2 LYS A 13 85.823 0.502 -9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 13 87.434 0.657 -8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 13 87.348 0.956 -11.338 1.00 0.00 H new ATOM 0 HG3 LYS A 13 86.435 2.184 -10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 13 89.327 1.442 -9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.891 2.774 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 13 87.300 2.974 -8.428 1.00 0.00 H new ATOM 0 HE3 LYS A 13 88.978 2.758 -7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 88.677 5.063 -8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 89.507 4.537 -9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 87.840 4.850 -9.751 1.00 0.00 H new ATOM 220 N CYS A 14 86.074 -2.014 -7.884 1.00 0.00 N ATOM 221 CA CYS A 14 85.989 -2.835 -6.670 1.00 0.00 C ATOM 222 C CYS A 14 85.675 -4.308 -6.933 1.00 0.00 C ATOM 223 O CYS A 14 86.182 -5.179 -6.227 1.00 0.00 O ATOM 224 CB CYS A 14 84.939 -2.241 -5.728 1.00 0.00 C ATOM 225 SG CYS A 14 84.887 -0.436 -5.924 1.00 0.00 S ATOM 0 H CYS A 14 85.210 -1.534 -8.136 1.00 0.00 H new ATOM 0 HA CYS A 14 86.979 -2.816 -6.214 1.00 0.00 H new ATOM 0 HB2 CYS A 14 83.960 -2.668 -5.945 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.177 -2.497 -4.696 1.00 0.00 H new ATOM 230 N ALA A 15 84.843 -4.599 -7.919 1.00 0.00 N ATOM 231 CA ALA A 15 84.496 -5.989 -8.197 1.00 0.00 C ATOM 232 C ALA A 15 85.753 -6.857 -8.250 1.00 0.00 C ATOM 233 O ALA A 15 85.702 -8.059 -7.983 1.00 0.00 O ATOM 234 CB ALA A 15 83.746 -6.090 -9.525 1.00 0.00 C ATOM 0 H ALA A 15 84.402 -3.911 -8.530 1.00 0.00 H new ATOM 0 HA ALA A 15 83.854 -6.348 -7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.493 -7.132 -9.721 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.832 -5.498 -9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.378 -5.712 -10.329 1.00 0.00 H new ATOM 240 N GLN A 16 86.876 -6.240 -8.598 1.00 0.00 N ATOM 241 CA GLN A 16 88.142 -6.961 -8.691 1.00 0.00 C ATOM 242 C GLN A 16 88.380 -7.845 -7.463 1.00 0.00 C ATOM 243 O GLN A 16 88.397 -9.072 -7.573 1.00 0.00 O ATOM 244 CB GLN A 16 89.298 -5.963 -8.843 1.00 0.00 C ATOM 245 CG GLN A 16 89.670 -5.813 -10.322 1.00 0.00 C ATOM 246 CD GLN A 16 90.826 -4.828 -10.470 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.857 -4.979 -9.815 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.714 -3.823 -11.295 1.00 0.00 N ATOM 0 H GLN A 16 86.937 -5.246 -8.820 1.00 0.00 H new ATOM 0 HA GLN A 16 88.095 -7.609 -9.566 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.010 -4.995 -8.432 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.163 -6.306 -8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.951 -6.782 -10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.808 -5.463 -10.889 1.00 0.00 H new ATOM 0 HE21 GLN A 16 89.858 -3.701 -11.836 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.482 -3.160 -11.398 1.00 0.00 H new ATOM 257 N CYS A 17 88.586 -7.222 -6.299 1.00 0.00 N ATOM 258 CA CYS A 17 88.850 -7.982 -5.072 1.00 0.00 C ATOM 259 C CYS A 17 87.750 -7.778 -4.025 1.00 0.00 C ATOM 260 O CYS A 17 88.044 -7.579 -2.847 1.00 0.00 O ATOM 261 CB CYS A 17 90.204 -7.564 -4.473 1.00 0.00 C ATOM 262 SG CYS A 17 91.215 -6.743 -5.736 1.00 0.00 S ATOM 0 H CYS A 17 88.576 -6.209 -6.180 1.00 0.00 H new ATOM 0 HA CYS A 17 88.870 -9.038 -5.342 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.046 -6.892 -3.629 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.727 -8.440 -4.090 1.00 0.00 H new ATOM 267 N HIS A 18 86.490 -7.844 -4.444 1.00 0.00 N ATOM 268 CA HIS A 18 85.381 -7.677 -3.502 1.00 0.00 C ATOM 269 C HIS A 18 84.133 -8.410 -3.993 1.00 0.00 C ATOM 270 O HIS A 18 84.159 -9.074 -5.029 1.00 0.00 O ATOM 271 CB HIS A 18 85.063 -6.190 -3.309 1.00 0.00 C ATOM 272 CG HIS A 18 86.092 -5.550 -2.410 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.746 -6.248 -1.404 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.583 -4.271 -2.353 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.586 -5.388 -0.794 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.524 -4.170 -1.334 1.00 0.00 N ATOM 0 H HIS A 18 86.211 -8.009 -5.411 1.00 0.00 H new ATOM 0 HA HIS A 18 85.685 -8.106 -2.547 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.049 -5.685 -4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.069 -6.076 -2.875 1.00 0.00 H new ATOM 0 HD1 HIS A 18 86.615 -7.232 -1.169 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.283 -3.462 -3.003 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.230 -5.653 0.031 1.00 0.00 H new ATOM 284 N THR A 19 83.045 -8.287 -3.234 1.00 0.00 N ATOM 285 CA THR A 19 81.787 -8.947 -3.589 1.00 0.00 C ATOM 286 C THR A 19 80.607 -7.994 -3.390 1.00 0.00 C ATOM 287 O THR A 19 79.663 -7.985 -4.180 1.00 0.00 O ATOM 288 CB THR A 19 81.603 -10.198 -2.716 1.00 0.00 C ATOM 289 OG1 THR A 19 82.659 -10.267 -1.770 1.00 0.00 O ATOM 290 CG2 THR A 19 81.623 -11.454 -3.590 1.00 0.00 C ATOM 0 H THR A 19 83.008 -7.740 -2.374 1.00 0.00 H new ATOM 0 HA THR A 19 81.823 -9.237 -4.639 1.00 0.00 H new ATOM 0 HB THR A 19 80.645 -10.138 -2.199 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.336 -9.961 -0.897 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.492 -12.336 -2.963 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.814 -11.403 -4.318 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.578 -11.519 -4.112 1.00 0.00 H new ATOM 298 N VAL A 20 80.676 -7.198 -2.328 1.00 0.00 N ATOM 299 CA VAL A 20 79.621 -6.236 -2.016 1.00 0.00 C ATOM 300 C VAL A 20 78.232 -6.837 -2.217 1.00 0.00 C ATOM 301 O VAL A 20 77.294 -6.134 -2.589 1.00 0.00 O ATOM 302 CB VAL A 20 79.772 -4.979 -2.881 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.187 -4.416 -2.724 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.530 -5.319 -4.351 1.00 0.00 C ATOM 0 H VAL A 20 81.453 -7.199 -1.667 1.00 0.00 H new ATOM 0 HA VAL A 20 79.724 -5.968 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 20 79.040 -4.239 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.293 -3.523 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.363 -4.160 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.913 -5.164 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.640 -4.419 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.255 -6.065 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.522 -5.716 -4.471 1.00 0.00 H new ATOM 314 N GLU A 21 78.099 -8.136 -1.960 1.00 0.00 N ATOM 315 CA GLU A 21 76.808 -8.806 -2.111 1.00 0.00 C ATOM 316 C GLU A 21 76.511 -9.671 -0.888 1.00 0.00 C ATOM 317 O GLU A 21 77.173 -10.680 -0.648 1.00 0.00 O ATOM 318 CB GLU A 21 76.798 -9.657 -3.389 1.00 0.00 C ATOM 319 CG GLU A 21 77.627 -10.931 -3.188 1.00 0.00 C ATOM 320 CD GLU A 21 78.110 -11.458 -4.536 1.00 0.00 C ATOM 321 OE1 GLU A 21 78.646 -10.672 -5.300 1.00 0.00 O ATOM 322 OE2 GLU A 21 77.936 -12.639 -4.784 1.00 0.00 O1- ATOM 0 H GLU A 21 78.859 -8.741 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 21 76.028 -8.049 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.773 -9.920 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.202 -9.080 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.481 -10.721 -2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.027 -11.690 -2.686 1.00 0.00 H new ATOM 329 N LYS A 22 75.513 -9.258 -0.111 1.00 0.00 N ATOM 330 CA LYS A 22 75.136 -9.990 1.094 1.00 0.00 C ATOM 331 C LYS A 22 74.905 -11.465 0.779 1.00 0.00 C ATOM 332 O LYS A 22 74.130 -11.805 -0.114 1.00 0.00 O ATOM 333 CB LYS A 22 73.862 -9.381 1.692 1.00 0.00 C ATOM 334 CG LYS A 22 73.867 -9.541 3.217 1.00 0.00 C ATOM 335 CD LYS A 22 73.896 -11.030 3.582 1.00 0.00 C ATOM 336 CE LYS A 22 73.286 -11.231 4.972 1.00 0.00 C ATOM 337 NZ LYS A 22 71.844 -10.854 4.942 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.954 -8.425 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 22 75.949 -9.914 1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.797 -8.325 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.984 -9.869 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.734 -9.036 3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 22 72.982 -9.069 3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 22 73.340 -11.607 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 22 74.922 -11.398 3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 22 73.395 -12.270 5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 22 73.817 -10.623 5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 71.314 -11.456 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 71.740 -9.858 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 71.471 -10.985 3.980 1.00 0.00 H new ATOM 351 N GLY A 23 75.581 -12.335 1.522 1.00 0.00 N ATOM 352 CA GLY A 23 75.440 -13.772 1.318 1.00 0.00 C ATOM 353 C GLY A 23 76.335 -14.253 0.185 1.00 0.00 C ATOM 354 O GLY A 23 76.095 -15.308 -0.404 1.00 0.00 O ATOM 0 H GLY A 23 76.228 -12.073 2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.695 -14.300 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.401 -14.010 1.091 1.00 0.00 H new ATOM 358 N GLY A 24 77.370 -13.476 -0.115 1.00 0.00 N ATOM 359 CA GLY A 24 78.299 -13.834 -1.180 1.00 0.00 C ATOM 360 C GLY A 24 79.493 -14.597 -0.621 1.00 0.00 C ATOM 361 O GLY A 24 79.355 -15.401 0.302 1.00 0.00 O ATOM 0 H GLY A 24 77.586 -12.600 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.788 -14.444 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.643 -12.933 -1.687 1.00 0.00 H new ATOM 365 N LYS A 25 80.664 -14.334 -1.185 1.00 0.00 N ATOM 366 CA LYS A 25 81.886 -14.993 -0.740 1.00 0.00 C ATOM 367 C LYS A 25 83.092 -14.094 -0.991 1.00 0.00 C ATOM 368 O LYS A 25 83.353 -13.690 -2.124 1.00 0.00 O ATOM 369 CB LYS A 25 82.065 -16.321 -1.479 1.00 0.00 C ATOM 370 CG LYS A 25 82.300 -16.058 -2.971 1.00 0.00 C ATOM 371 CD LYS A 25 81.988 -17.327 -3.777 1.00 0.00 C ATOM 372 CE LYS A 25 80.503 -17.356 -4.146 1.00 0.00 C ATOM 373 NZ LYS A 25 80.159 -18.691 -4.709 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.794 -13.671 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 25 81.808 -15.188 0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.908 -16.870 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.181 -16.944 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.668 -15.237 -3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 25 83.334 -15.755 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.597 -17.354 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 25 82.244 -18.211 -3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 25 79.894 -17.153 -3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 25 80.282 -16.575 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 79.150 -18.712 -4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 80.731 -18.867 -5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.355 -19.427 -4.001 1.00 0.00 H new ATOM 387 N HIS A 26 83.817 -13.777 0.074 1.00 0.00 N ATOM 388 CA HIS A 26 84.988 -12.918 -0.038 1.00 0.00 C ATOM 389 C HIS A 26 85.962 -13.460 -1.079 1.00 0.00 C ATOM 390 O HIS A 26 86.443 -14.589 -0.971 1.00 0.00 O ATOM 391 CB HIS A 26 85.687 -12.811 1.320 1.00 0.00 C ATOM 392 CG HIS A 26 85.592 -14.128 2.041 1.00 0.00 C ATOM 393 ND1 HIS A 26 86.080 -15.306 1.498 1.00 0.00 N ATOM 394 CD2 HIS A 26 85.066 -14.469 3.263 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.844 -16.291 2.384 1.00 0.00 C ATOM 396 NE2 HIS A 26 85.227 -15.835 3.478 1.00 0.00 N ATOM 0 H HIS A 26 83.616 -14.100 1.020 1.00 0.00 H new ATOM 0 HA HIS A 26 84.659 -11.929 -0.356 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.732 -12.535 1.182 1.00 0.00 H new ATOM 0 HB3 HIS A 26 85.226 -12.024 1.917 1.00 0.00 H new ATOM 0 HD1 HIS A 26 86.536 -15.408 0.591 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.598 -13.782 3.953 1.00 0.00 H new ATOM 0 HE1 HIS A 26 86.120 -17.324 2.230 1.00 0.00 H new ATOM 405 N LYS A 27 86.252 -12.637 -2.082 1.00 0.00 N ATOM 406 CA LYS A 27 87.177 -13.019 -3.145 1.00 0.00 C ATOM 407 C LYS A 27 88.416 -12.131 -3.099 1.00 0.00 C ATOM 408 O LYS A 27 88.413 -11.019 -3.627 1.00 0.00 O ATOM 409 CB LYS A 27 86.498 -12.874 -4.510 1.00 0.00 C ATOM 410 CG LYS A 27 85.491 -14.009 -4.712 1.00 0.00 C ATOM 411 CD LYS A 27 85.042 -14.033 -6.174 1.00 0.00 C ATOM 412 CE LYS A 27 84.014 -15.148 -6.377 1.00 0.00 C ATOM 413 NZ LYS A 27 83.301 -14.934 -7.668 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.860 -11.701 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 27 87.470 -14.059 -2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 27 85.992 -11.911 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 27 87.246 -12.894 -5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 27 85.943 -14.964 -4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 27 84.631 -13.868 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 27 84.609 -13.071 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 27 85.901 -14.193 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 27 84.510 -16.119 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 27 83.302 -15.156 -5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 82.602 -15.691 -7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 82.816 -14.014 -7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 83.987 -14.947 -8.450 1.00 0.00 H new ATOM 427 N THR A 28 89.468 -12.623 -2.456 1.00 0.00 N ATOM 428 CA THR A 28 90.704 -11.858 -2.338 1.00 0.00 C ATOM 429 C THR A 28 90.436 -10.543 -1.611 1.00 0.00 C ATOM 430 O THR A 28 91.138 -9.553 -1.815 1.00 0.00 O ATOM 431 CB THR A 28 91.280 -11.576 -3.730 1.00 0.00 C ATOM 432 OG1 THR A 28 91.292 -12.780 -4.484 1.00 0.00 O ATOM 433 CG2 THR A 28 92.709 -11.034 -3.611 1.00 0.00 C ATOM 0 H THR A 28 89.491 -13.541 -2.011 1.00 0.00 H new ATOM 0 HA THR A 28 91.427 -12.440 -1.766 1.00 0.00 H new ATOM 0 HB THR A 28 90.660 -10.832 -4.230 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.658 -12.604 -5.376 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.108 -10.837 -4.606 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.700 -10.109 -3.034 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.336 -11.770 -3.108 1.00 0.00 H new ATOM 441 N GLY A 29 89.414 -10.547 -0.762 1.00 0.00 N ATOM 442 CA GLY A 29 89.052 -9.356 -0.002 1.00 0.00 C ATOM 443 C GLY A 29 87.742 -9.575 0.754 1.00 0.00 C ATOM 444 O GLY A 29 86.906 -10.377 0.340 1.00 0.00 O ATOM 0 H GLY A 29 88.823 -11.359 -0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 29 89.848 -9.112 0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 29 88.951 -8.505 -0.676 1.00 0.00 H new ATOM 448 N PRO A 30 87.552 -8.880 1.847 1.00 0.00 N ATOM 449 CA PRO A 30 86.316 -9.006 2.676 1.00 0.00 C ATOM 450 C PRO A 30 85.080 -8.468 1.956 1.00 0.00 C ATOM 451 O PRO A 30 85.185 -7.851 0.896 1.00 0.00 O ATOM 452 CB PRO A 30 86.629 -8.176 3.929 1.00 0.00 C ATOM 453 CG PRO A 30 87.680 -7.204 3.502 1.00 0.00 C ATOM 454 CD PRO A 30 88.494 -7.901 2.414 1.00 0.00 C ATOM 0 HA PRO A 30 86.079 -10.046 2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.740 -7.660 4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 30 86.985 -8.809 4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.230 -6.287 3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.315 -6.924 4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.841 -7.195 1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.378 -8.388 2.825 1.00 0.00 H new ATOM 462 N ASN A 31 83.910 -8.705 2.545 1.00 0.00 N ATOM 463 CA ASN A 31 82.654 -8.241 1.961 1.00 0.00 C ATOM 464 C ASN A 31 82.200 -6.950 2.628 1.00 0.00 C ATOM 465 O ASN A 31 82.122 -6.865 3.853 1.00 0.00 O ATOM 466 CB ASN A 31 81.573 -9.309 2.129 1.00 0.00 C ATOM 467 CG ASN A 31 81.247 -9.496 3.607 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.557 -8.668 4.200 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.707 -10.541 4.239 1.00 0.00 N ATOM 0 H ASN A 31 83.806 -9.214 3.423 1.00 0.00 H new ATOM 0 HA ASN A 31 82.817 -8.053 0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.675 -9.017 1.584 1.00 0.00 H new ATOM 0 HB3 ASN A 31 81.913 -10.252 1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.495 -10.673 5.228 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.279 -11.226 3.744 1.00 0.00 H new ATOM 476 N LEU A 32 81.900 -5.950 1.810 1.00 0.00 N ATOM 477 CA LEU A 32 81.454 -4.660 2.324 1.00 0.00 C ATOM 478 C LEU A 32 79.973 -4.708 2.697 1.00 0.00 C ATOM 479 O LEU A 32 79.255 -3.718 2.552 1.00 0.00 O ATOM 480 CB LEU A 32 81.681 -3.565 1.276 1.00 0.00 C ATOM 481 CG LEU A 32 83.049 -3.750 0.608 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.393 -2.500 -0.206 1.00 0.00 C ATOM 483 CD2 LEU A 32 84.122 -3.966 1.677 1.00 0.00 C ATOM 0 H LEU A 32 81.957 -6.005 0.793 1.00 0.00 H new ATOM 0 HA LEU A 32 82.035 -4.433 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.893 -3.601 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.627 -2.583 1.747 1.00 0.00 H new ATOM 0 HG LEU A 32 83.012 -4.619 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.365 -2.631 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.633 -2.344 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.426 -1.633 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.092 -4.097 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 32 84.158 -3.099 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.882 -4.856 2.259 1.00 0.00 H new ATOM 495 N HIS A 33 79.522 -5.861 3.179 1.00 0.00 N ATOM 496 CA HIS A 33 78.125 -6.015 3.576 1.00 0.00 C ATOM 497 C HIS A 33 77.779 -5.014 4.675 1.00 0.00 C ATOM 498 O HIS A 33 78.588 -4.768 5.569 1.00 0.00 O ATOM 499 CB HIS A 33 77.874 -7.433 4.092 1.00 0.00 C ATOM 500 CG HIS A 33 78.130 -8.435 2.998 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.390 -9.770 3.269 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.159 -8.319 1.629 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.562 -10.398 2.093 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.432 -9.561 1.061 1.00 0.00 N ATOM 0 H HIS A 33 80.095 -6.695 3.304 1.00 0.00 H new ATOM 0 HA HIS A 33 77.497 -5.831 2.704 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.523 -7.639 4.943 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.847 -7.523 4.445 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.995 -7.405 1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.779 -11.451 1.995 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.515 -9.783 0.069 1.00 0.00 H new ATOM 513 N GLY A 34 76.578 -4.441 4.606 1.00 0.00 N ATOM 514 CA GLY A 34 76.145 -3.467 5.608 1.00 0.00 C ATOM 515 C GLY A 34 77.322 -2.625 6.089 1.00 0.00 C ATOM 516 O GLY A 34 77.361 -2.183 7.237 1.00 0.00 O ATOM 0 H GLY A 34 75.893 -4.632 3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.378 -2.819 5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.693 -3.985 6.454 1.00 0.00 H new ATOM 520 N LEU A 35 78.281 -2.419 5.197 1.00 0.00 N ATOM 521 CA LEU A 35 79.473 -1.641 5.512 1.00 0.00 C ATOM 522 C LEU A 35 79.103 -0.338 6.218 1.00 0.00 C ATOM 523 O LEU A 35 79.563 -0.062 7.325 1.00 0.00 O ATOM 524 CB LEU A 35 80.219 -1.338 4.206 1.00 0.00 C ATOM 525 CG LEU A 35 81.435 -0.432 4.463 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.677 -1.291 4.704 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.675 0.463 3.243 1.00 0.00 C ATOM 0 H LEU A 35 78.257 -2.782 4.244 1.00 0.00 H new ATOM 0 HA LEU A 35 80.110 -2.215 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.546 -2.270 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.543 -0.854 3.501 1.00 0.00 H new ATOM 0 HG LEU A 35 81.241 0.185 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.536 -0.645 4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.514 -1.931 5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.867 -1.910 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.537 1.105 3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.865 -0.158 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.794 1.080 3.066 1.00 0.00 H new ATOM 539 N PHE A 36 78.279 0.465 5.566 1.00 0.00 N ATOM 540 CA PHE A 36 77.865 1.744 6.130 1.00 0.00 C ATOM 541 C PHE A 36 77.290 1.577 7.535 1.00 0.00 C ATOM 542 O PHE A 36 76.090 1.355 7.698 1.00 0.00 O ATOM 543 CB PHE A 36 76.818 2.400 5.221 1.00 0.00 C ATOM 544 CG PHE A 36 77.305 2.391 3.789 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.161 1.239 3.003 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.905 3.536 3.244 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.618 1.231 1.680 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.360 3.526 1.924 1.00 0.00 C ATOM 549 CZ PHE A 36 78.218 2.374 1.140 1.00 0.00 C ATOM 0 H PHE A 36 77.883 0.257 4.649 1.00 0.00 H new ATOM 0 HA PHE A 36 78.747 2.380 6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.871 1.865 5.296 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.632 3.424 5.545 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.697 0.357 3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.015 4.426 3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.508 0.343 1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.822 4.408 1.507 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.571 2.368 0.119 1.00 0.00 H new ATOM 559 N GLY A 37 78.146 1.703 8.553 1.00 0.00 N ATOM 560 CA GLY A 37 77.688 1.584 9.938 1.00 0.00 C ATOM 561 C GLY A 37 78.673 0.816 10.820 1.00 0.00 C ATOM 562 O GLY A 37 78.720 1.031 12.032 1.00 0.00 O ATOM 0 H GLY A 37 79.144 1.884 8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.535 2.580 10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.722 1.080 9.955 1.00 0.00 H new ATOM 566 N ARG A 38 79.444 -0.090 10.226 1.00 0.00 N ATOM 567 CA ARG A 38 80.399 -0.886 11.003 1.00 0.00 C ATOM 568 C ARG A 38 81.745 -0.169 11.134 1.00 0.00 C ATOM 569 O ARG A 38 82.169 0.555 10.233 1.00 0.00 O ATOM 570 CB ARG A 38 80.612 -2.252 10.338 1.00 0.00 C ATOM 571 CG ARG A 38 79.740 -3.322 11.013 1.00 0.00 C ATOM 572 CD ARG A 38 80.220 -4.720 10.600 1.00 0.00 C ATOM 573 NE ARG A 38 79.541 -5.145 9.375 1.00 0.00 N ATOM 574 CZ ARG A 38 80.202 -5.691 8.352 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.498 -5.852 8.402 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.548 -6.068 7.289 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.431 -0.292 9.226 1.00 0.00 H new ATOM 0 HA ARG A 38 79.982 -1.023 12.001 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.365 -2.189 9.278 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.662 -2.536 10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.791 -3.215 12.097 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.697 -3.187 10.728 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.298 -4.711 10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 38 80.021 -5.432 11.401 1.00 0.00 H new ATOM 0 HE ARG A 38 78.531 -5.020 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 38 82.017 -5.559 9.230 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.991 -6.271 7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 38 78.537 -5.945 7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 38 80.048 -6.486 6.504 1.00 0.00 H new ATOM 590 N LYS A 39 82.411 -0.392 12.267 1.00 0.00 N ATOM 591 CA LYS A 39 83.711 0.223 12.526 1.00 0.00 C ATOM 592 C LYS A 39 84.776 -0.347 11.589 1.00 0.00 C ATOM 593 O LYS A 39 84.543 -1.341 10.901 1.00 0.00 O ATOM 594 CB LYS A 39 84.123 -0.024 13.981 1.00 0.00 C ATOM 595 CG LYS A 39 83.405 0.972 14.904 1.00 0.00 C ATOM 596 CD LYS A 39 84.244 2.246 15.049 1.00 0.00 C ATOM 597 CE LYS A 39 83.497 3.251 15.929 1.00 0.00 C ATOM 598 NZ LYS A 39 84.089 4.606 15.747 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.072 -0.993 13.018 1.00 0.00 H new ATOM 0 HA LYS A 39 83.626 1.295 12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.875 -1.045 14.270 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.203 0.083 14.086 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.424 1.217 14.497 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.241 0.521 15.883 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.212 2.009 15.491 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.439 2.680 14.068 1.00 0.00 H new ATOM 0 HE2 LYS A 39 82.439 3.266 15.665 1.00 0.00 H new ATOM 0 HE3 LYS A 39 83.560 2.952 16.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.582 5.290 16.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 85.093 4.586 16.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 84.006 4.890 14.750 1.00 0.00 H new ATOM 612 N THR A 40 85.946 0.291 11.568 1.00 0.00 N ATOM 613 CA THR A 40 87.038 -0.161 10.712 1.00 0.00 C ATOM 614 C THR A 40 87.548 -1.529 11.153 1.00 0.00 C ATOM 615 O THR A 40 87.537 -1.856 12.340 1.00 0.00 O ATOM 616 CB THR A 40 88.187 0.850 10.748 1.00 0.00 C ATOM 617 OG1 THR A 40 88.441 1.232 12.091 1.00 0.00 O ATOM 618 CG2 THR A 40 87.809 2.085 9.930 1.00 0.00 C ATOM 0 H THR A 40 86.159 1.115 12.130 1.00 0.00 H new ATOM 0 HA THR A 40 86.657 -0.244 9.694 1.00 0.00 H new ATOM 0 HB THR A 40 89.082 0.395 10.324 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.116 0.637 12.478 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.628 2.804 9.957 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.616 1.793 8.898 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.913 2.540 10.352 1.00 0.00 H new ATOM 626 N GLY A 41 88.001 -2.321 10.186 1.00 0.00 N ATOM 627 CA GLY A 41 88.522 -3.650 10.476 1.00 0.00 C ATOM 628 C GLY A 41 87.618 -4.395 11.447 1.00 0.00 C ATOM 629 O GLY A 41 88.082 -4.927 12.457 1.00 0.00 O ATOM 0 H GLY A 41 88.017 -2.066 9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.612 -4.218 9.550 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.524 -3.567 10.898 1.00 0.00 H new ATOM 633 N GLN A 42 86.329 -4.428 11.138 1.00 0.00 N ATOM 634 CA GLN A 42 85.361 -5.110 11.994 1.00 0.00 C ATOM 635 C GLN A 42 84.764 -6.316 11.280 1.00 0.00 C ATOM 636 O GLN A 42 84.052 -7.116 11.889 1.00 0.00 O ATOM 637 CB GLN A 42 84.241 -4.147 12.392 1.00 0.00 C ATOM 638 CG GLN A 42 83.301 -4.835 13.386 1.00 0.00 C ATOM 639 CD GLN A 42 82.469 -3.796 14.127 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.772 -2.926 13.448 1.00 0.00 O flip ATOM 641 NE2 GLN A 42 82.450 -3.776 15.358 1.00 0.00 N flip ATOM 0 H GLN A 42 85.928 -3.994 10.306 1.00 0.00 H new ATOM 0 HA GLN A 42 85.881 -5.453 12.889 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.663 -3.247 12.839 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.686 -3.834 11.508 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.645 -5.528 12.858 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.880 -5.423 14.098 1.00 0.00 H new ATOM 0 HE21 GLN A 42 82.995 -4.456 15.888 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.889 -3.079 15.848 1.00 0.00 H new ATOM 650 N ALA A 43 85.051 -6.446 9.989 1.00 0.00 N ATOM 651 CA ALA A 43 84.526 -7.565 9.219 1.00 0.00 C ATOM 652 C ALA A 43 85.252 -8.860 9.598 1.00 0.00 C ATOM 653 O ALA A 43 86.465 -8.969 9.414 1.00 0.00 O ATOM 654 CB ALA A 43 84.698 -7.293 7.723 1.00 0.00 C ATOM 0 H ALA A 43 85.636 -5.799 9.460 1.00 0.00 H new ATOM 0 HA ALA A 43 83.466 -7.678 9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 43 84.303 -8.134 7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 43 84.157 -6.386 7.454 1.00 0.00 H new ATOM 0 HB3 ALA A 43 85.756 -7.165 7.496 1.00 0.00 H new ATOM 660 N PRO A 44 84.546 -9.838 10.117 1.00 0.00 N ATOM 661 CA PRO A 44 85.155 -11.137 10.517 1.00 0.00 C ATOM 662 C PRO A 44 85.396 -12.051 9.318 1.00 0.00 C ATOM 663 O PRO A 44 84.455 -12.457 8.637 1.00 0.00 O ATOM 664 CB PRO A 44 84.111 -11.736 11.460 1.00 0.00 C ATOM 665 CG PRO A 44 82.806 -11.202 10.969 1.00 0.00 C ATOM 666 CD PRO A 44 83.095 -9.818 10.382 1.00 0.00 C ATOM 0 HA PRO A 44 86.136 -11.013 10.976 1.00 0.00 H new ATOM 0 HB2 PRO A 44 84.129 -12.825 11.430 1.00 0.00 H new ATOM 0 HB3 PRO A 44 84.296 -11.442 12.493 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.376 -11.861 10.215 1.00 0.00 H new ATOM 0 HG3 PRO A 44 82.084 -11.135 11.782 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.525 -9.645 9.469 1.00 0.00 H new ATOM 0 HD3 PRO A 44 82.828 -9.025 11.080 1.00 0.00 H new ATOM 674 N GLY A 45 86.661 -12.371 9.065 1.00 0.00 N ATOM 675 CA GLY A 45 87.007 -13.237 7.945 1.00 0.00 C ATOM 676 C GLY A 45 88.451 -13.019 7.510 1.00 0.00 C ATOM 677 O GLY A 45 89.325 -13.838 7.794 1.00 0.00 O ATOM 0 H GLY A 45 87.457 -12.047 9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 45 86.863 -14.279 8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 45 86.338 -13.039 7.108 1.00 0.00 H new ATOM 681 N PHE A 46 88.694 -11.910 6.819 1.00 0.00 N ATOM 682 CA PHE A 46 90.038 -11.596 6.349 1.00 0.00 C ATOM 683 C PHE A 46 90.891 -11.049 7.490 1.00 0.00 C ATOM 684 O PHE A 46 90.368 -10.483 8.451 1.00 0.00 O ATOM 685 CB PHE A 46 89.965 -10.566 5.215 1.00 0.00 C ATOM 686 CG PHE A 46 91.157 -10.728 4.301 1.00 0.00 C ATOM 687 CD1 PHE A 46 92.382 -10.141 4.636 1.00 0.00 C ATOM 688 CD2 PHE A 46 91.035 -11.467 3.118 1.00 0.00 C ATOM 689 CE1 PHE A 46 93.486 -10.293 3.790 1.00 0.00 C ATOM 690 CE2 PHE A 46 92.139 -11.619 2.272 1.00 0.00 C ATOM 691 CZ PHE A 46 93.365 -11.032 2.607 1.00 0.00 C ATOM 0 H PHE A 46 87.985 -11.219 6.574 1.00 0.00 H new ATOM 0 HA PHE A 46 90.499 -12.511 5.978 1.00 0.00 H new ATOM 0 HB2 PHE A 46 89.042 -10.697 4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 46 89.946 -9.557 5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 46 92.475 -9.570 5.548 1.00 0.00 H new ATOM 0 HD2 PHE A 46 90.089 -11.919 2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 46 94.432 -9.840 4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 46 92.045 -12.190 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 46 94.217 -11.149 1.953 1.00 0.00 H new ATOM 701 N THR A 47 92.203 -11.222 7.380 1.00 0.00 N ATOM 702 CA THR A 47 93.116 -10.740 8.411 1.00 0.00 C ATOM 703 C THR A 47 93.302 -9.231 8.300 1.00 0.00 C ATOM 704 O THR A 47 94.275 -8.757 7.713 1.00 0.00 O ATOM 705 CB THR A 47 94.471 -11.437 8.277 1.00 0.00 C ATOM 706 OG1 THR A 47 94.278 -12.844 8.247 1.00 0.00 O ATOM 707 CG2 THR A 47 95.358 -11.065 9.467 1.00 0.00 C ATOM 0 H THR A 47 92.656 -11.688 6.594 1.00 0.00 H new ATOM 0 HA THR A 47 92.686 -10.969 9.386 1.00 0.00 H new ATOM 0 HB THR A 47 94.954 -11.118 7.354 1.00 0.00 H new ATOM 0 HG1 THR A 47 95.146 -13.291 8.159 1.00 0.00 H new ATOM 0 HG21 THR A 47 96.323 -11.562 9.371 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.506 -9.985 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.877 -11.382 10.392 1.00 0.00 H new ATOM 715 N TYR A 48 92.362 -8.482 8.867 1.00 0.00 N ATOM 716 CA TYR A 48 92.429 -7.025 8.826 1.00 0.00 C ATOM 717 C TYR A 48 93.700 -6.532 9.511 1.00 0.00 C ATOM 718 O TYR A 48 94.251 -7.205 10.382 1.00 0.00 O ATOM 719 CB TYR A 48 91.201 -6.428 9.523 1.00 0.00 C ATOM 720 CG TYR A 48 90.087 -6.239 8.522 1.00 0.00 C ATOM 721 CD1 TYR A 48 90.030 -5.067 7.760 1.00 0.00 C ATOM 722 CD2 TYR A 48 89.109 -7.227 8.364 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.994 -4.881 6.841 1.00 0.00 C ATOM 724 CE2 TYR A 48 88.074 -7.042 7.441 1.00 0.00 C ATOM 725 CZ TYR A 48 88.017 -5.867 6.679 1.00 0.00 C ATOM 726 OH TYR A 48 86.994 -5.676 5.778 1.00 0.00 O ATOM 0 H TYR A 48 91.550 -8.856 9.357 1.00 0.00 H new ATOM 0 HA TYR A 48 92.445 -6.705 7.784 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.872 -7.086 10.327 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.459 -5.472 9.979 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.787 -4.306 7.882 1.00 0.00 H new ATOM 0 HD2 TYR A 48 89.153 -8.131 8.954 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.948 -3.975 6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 48 87.319 -7.804 7.316 1.00 0.00 H new ATOM 0 HH TYR A 48 86.211 -5.314 6.244 1.00 0.00 H new ATOM 736 N THR A 49 94.158 -5.350 9.112 1.00 0.00 N ATOM 737 CA THR A 49 95.366 -4.773 9.696 1.00 0.00 C ATOM 738 C THR A 49 95.048 -4.084 11.020 1.00 0.00 C ATOM 739 O THR A 49 93.897 -3.746 11.293 1.00 0.00 O ATOM 740 CB THR A 49 95.982 -3.761 8.726 1.00 0.00 C ATOM 741 OG1 THR A 49 95.057 -2.709 8.495 1.00 0.00 O ATOM 742 CG2 THR A 49 96.316 -4.449 7.397 1.00 0.00 C ATOM 0 H THR A 49 93.717 -4.776 8.393 1.00 0.00 H new ATOM 0 HA THR A 49 96.077 -5.578 9.882 1.00 0.00 H new ATOM 0 HB THR A 49 96.897 -3.357 9.159 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.535 -1.854 8.467 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.754 -3.723 6.712 1.00 0.00 H new ATOM 0 HG22 THR A 49 97.027 -5.256 7.574 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.405 -4.857 6.960 1.00 0.00 H new ATOM 750 N ASP A 50 96.077 -3.879 11.837 1.00 0.00 N ATOM 751 CA ASP A 50 95.895 -3.229 13.131 1.00 0.00 C ATOM 752 C ASP A 50 95.282 -1.844 12.952 1.00 0.00 C ATOM 753 O ASP A 50 94.365 -1.463 13.682 1.00 0.00 O ATOM 754 CB ASP A 50 97.241 -3.106 13.849 1.00 0.00 C ATOM 755 CG ASP A 50 98.016 -4.414 13.734 1.00 0.00 C ATOM 756 OD1 ASP A 50 98.721 -4.577 12.752 1.00 0.00 O ATOM 757 OD2 ASP A 50 97.892 -5.233 14.629 1.00 0.00 O1- ATOM 0 H ASP A 50 97.038 -4.151 11.629 1.00 0.00 H new ATOM 0 HA ASP A 50 95.219 -3.838 13.731 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.821 -2.291 13.415 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.081 -2.860 14.899 1.00 0.00 H new ATOM 762 N ALA A 51 95.792 -1.097 11.980 1.00 0.00 N ATOM 763 CA ALA A 51 95.286 0.245 11.715 1.00 0.00 C ATOM 764 C ALA A 51 93.778 0.216 11.494 1.00 0.00 C ATOM 765 O ALA A 51 93.058 1.100 11.953 1.00 0.00 O ATOM 766 CB ALA A 51 95.972 0.827 10.479 1.00 0.00 C ATOM 0 H ALA A 51 96.550 -1.395 11.366 1.00 0.00 H new ATOM 0 HA ALA A 51 95.503 0.871 12.580 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.588 1.829 10.288 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.048 0.876 10.649 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.770 0.191 9.617 1.00 0.00 H new ATOM 772 N ASN A 52 93.308 -0.807 10.791 1.00 0.00 N ATOM 773 CA ASN A 52 91.882 -0.945 10.518 1.00 0.00 C ATOM 774 C ASN A 52 91.171 -1.556 11.722 1.00 0.00 C ATOM 775 O ASN A 52 89.990 -1.302 11.957 1.00 0.00 O ATOM 776 CB ASN A 52 91.676 -1.835 9.282 1.00 0.00 C ATOM 777 CG ASN A 52 91.397 -0.981 8.050 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.834 0.166 7.974 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.691 -1.481 7.072 1.00 0.00 N ATOM 0 H ASN A 52 93.889 -1.549 10.401 1.00 0.00 H new ATOM 0 HA ASN A 52 91.461 0.042 10.326 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.563 -2.446 9.115 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.845 -2.519 9.453 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.500 -0.920 6.242 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.330 -2.433 7.138 1.00 0.00 H new ATOM 786 N LYS A 53 91.905 -2.355 12.486 1.00 0.00 N ATOM 787 CA LYS A 53 91.348 -2.996 13.668 1.00 0.00 C ATOM 788 C LYS A 53 91.432 -2.038 14.848 1.00 0.00 C ATOM 789 O LYS A 53 90.857 -2.282 15.909 1.00 0.00 O ATOM 790 CB LYS A 53 92.119 -4.300 13.950 1.00 0.00 C ATOM 791 CG LYS A 53 92.351 -4.493 15.454 1.00 0.00 C ATOM 792 CD LYS A 53 93.066 -5.825 15.689 1.00 0.00 C ATOM 793 CE LYS A 53 92.938 -6.225 17.160 1.00 0.00 C ATOM 794 NZ LYS A 53 93.644 -7.517 17.387 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.885 -2.574 12.308 1.00 0.00 H new ATOM 0 HA LYS A 53 90.300 -3.246 13.505 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.561 -5.148 13.554 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.077 -4.278 13.431 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.949 -3.672 15.850 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.399 -4.479 15.985 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.634 -6.598 15.053 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.118 -5.738 15.416 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.363 -5.449 17.797 1.00 0.00 H new ATOM 0 HE3 LYS A 53 91.887 -6.320 17.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.557 -7.789 18.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.219 -8.254 16.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 94.649 -7.411 17.143 1.00 0.00 H new ATOM 808 N ASN A 54 92.151 -0.941 14.647 1.00 0.00 N ATOM 809 CA ASN A 54 92.304 0.057 15.691 1.00 0.00 C ATOM 810 C ASN A 54 90.960 0.696 15.999 1.00 0.00 C ATOM 811 O ASN A 54 90.764 1.294 17.056 1.00 0.00 O ATOM 812 CB ASN A 54 93.291 1.130 15.229 1.00 0.00 C ATOM 813 CG ASN A 54 92.571 2.222 14.439 1.00 0.00 C ATOM 814 OD1 ASN A 54 91.629 1.895 13.597 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 92.876 3.404 14.595 1.00 0.00 N flip ATOM 0 H ASN A 54 92.634 -0.723 13.775 1.00 0.00 H new ATOM 0 HA ASN A 54 92.684 -0.423 16.593 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.790 1.568 16.093 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.065 0.677 14.610 1.00 0.00 H new ATOM 0 HD21 ASN A 54 93.612 3.658 15.253 1.00 0.00 H new ATOM 0 HD22 ASN A 54 92.392 4.130 14.066 1.00 0.00 H new ATOM 822 N LYS A 55 90.040 0.555 15.059 1.00 0.00 N ATOM 823 CA LYS A 55 88.703 1.115 15.222 1.00 0.00 C ATOM 824 C LYS A 55 88.783 2.611 15.508 1.00 0.00 C ATOM 825 O LYS A 55 88.396 3.068 16.582 1.00 0.00 O ATOM 826 CB LYS A 55 87.980 0.413 16.375 1.00 0.00 C ATOM 827 CG LYS A 55 87.875 -1.091 16.083 1.00 0.00 C ATOM 828 CD LYS A 55 87.902 -1.878 17.397 1.00 0.00 C ATOM 829 CE LYS A 55 86.705 -1.478 18.261 1.00 0.00 C ATOM 830 NZ LYS A 55 86.686 -2.308 19.499 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.190 0.061 14.179 1.00 0.00 H new ATOM 0 HA LYS A 55 88.148 0.960 14.297 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.520 0.575 17.308 1.00 0.00 H new ATOM 0 HB3 LYS A 55 86.985 0.838 16.505 1.00 0.00 H new ATOM 0 HG2 LYS A 55 86.953 -1.302 15.541 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.700 -1.405 15.443 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.874 -2.948 17.192 1.00 0.00 H new ATOM 0 HD3 LYS A 55 88.831 -1.680 17.932 1.00 0.00 H new ATOM 0 HE2 LYS A 55 86.767 -0.421 18.520 1.00 0.00 H new ATOM 0 HE3 LYS A 55 85.778 -1.616 17.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.872 -2.036 20.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 86.607 -3.313 19.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 87.565 -2.155 20.033 1.00 0.00 H new ATOM 844 N GLY A 56 89.293 3.369 14.541 1.00 0.00 N ATOM 845 CA GLY A 56 89.422 4.813 14.705 1.00 0.00 C ATOM 846 C GLY A 56 88.155 5.534 14.262 1.00 0.00 C ATOM 847 O GLY A 56 87.706 6.477 14.914 1.00 0.00 O ATOM 0 H GLY A 56 89.621 3.011 13.644 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.630 5.046 15.749 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.271 5.173 14.123 1.00 0.00 H new ATOM 851 N ILE A 57 87.578 5.083 13.152 1.00 0.00 N ATOM 852 CA ILE A 57 86.357 5.693 12.633 1.00 0.00 C ATOM 853 C ILE A 57 85.387 4.617 12.168 1.00 0.00 C ATOM 854 O ILE A 57 85.672 3.424 12.280 1.00 0.00 O ATOM 855 CB ILE A 57 86.686 6.633 11.469 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.251 5.825 10.285 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.727 7.656 11.930 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.116 5.356 9.363 1.00 0.00 C ATOM 0 H ILE A 57 87.932 4.303 12.598 1.00 0.00 H new ATOM 0 HA ILE A 57 85.891 6.269 13.433 1.00 0.00 H new ATOM 0 HB ILE A 57 85.778 7.145 11.150 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.955 6.438 9.722 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.805 4.963 10.657 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.966 8.329 11.106 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.326 8.232 12.764 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.631 7.137 12.248 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.534 4.787 8.532 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.428 4.725 9.925 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.580 6.223 8.976 1.00 0.00 H new ATOM 870 N THR A 58 84.239 5.043 11.649 1.00 0.00 N ATOM 871 CA THR A 58 83.229 4.102 11.172 1.00 0.00 C ATOM 872 C THR A 58 82.911 4.340 9.702 1.00 0.00 C ATOM 873 O THR A 58 82.828 5.482 9.250 1.00 0.00 O ATOM 874 CB THR A 58 81.951 4.251 12.001 1.00 0.00 C ATOM 875 OG1 THR A 58 82.208 3.853 13.341 1.00 0.00 O ATOM 876 CG2 THR A 58 80.850 3.371 11.407 1.00 0.00 C ATOM 0 H THR A 58 83.985 6.026 11.548 1.00 0.00 H new ATOM 0 HA THR A 58 83.625 3.092 11.281 1.00 0.00 H new ATOM 0 HB THR A 58 81.628 5.292 11.987 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.391 3.950 13.873 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.940 3.478 11.998 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.653 3.678 10.380 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.171 2.329 11.419 1.00 0.00 H new ATOM 884 N TRP A 59 82.722 3.251 8.961 1.00 0.00 N ATOM 885 CA TRP A 59 82.400 3.360 7.545 1.00 0.00 C ATOM 886 C TRP A 59 81.063 4.071 7.369 1.00 0.00 C ATOM 887 O TRP A 59 80.105 3.803 8.094 1.00 0.00 O ATOM 888 CB TRP A 59 82.320 1.977 6.894 1.00 0.00 C ATOM 889 CG TRP A 59 83.480 1.129 7.318 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.761 1.550 7.409 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.487 -0.282 7.699 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.553 0.489 7.815 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.812 -0.657 8.015 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.483 -1.261 7.801 1.00 0.00 C ATOM 895 CZ2 TRP A 59 85.129 -1.954 8.420 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.801 -2.568 8.205 1.00 0.00 C ATOM 897 CH2 TRP A 59 84.121 -2.912 8.516 1.00 0.00 C ATOM 0 H TRP A 59 82.786 2.296 9.313 1.00 0.00 H new ATOM 0 HA TRP A 59 83.192 3.933 7.062 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.385 1.491 7.173 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.314 2.079 5.809 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.110 2.550 7.199 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.562 0.548 7.950 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.460 -1.006 7.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 86.150 -2.214 8.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 82.022 -3.312 8.276 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.358 -3.918 8.830 1.00 0.00 H new ATOM 908 N LYS A 60 81.007 4.972 6.399 1.00 0.00 N ATOM 909 CA LYS A 60 79.786 5.720 6.125 1.00 0.00 C ATOM 910 C LYS A 60 79.798 6.201 4.680 1.00 0.00 C ATOM 911 O LYS A 60 80.568 5.698 3.866 1.00 0.00 O ATOM 912 CB LYS A 60 79.678 6.915 7.079 1.00 0.00 C ATOM 913 CG LYS A 60 79.416 6.412 8.502 1.00 0.00 C ATOM 914 CD LYS A 60 78.954 7.574 9.387 1.00 0.00 C ATOM 915 CE LYS A 60 80.146 8.473 9.718 1.00 0.00 C ATOM 916 NZ LYS A 60 79.740 9.480 10.739 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.791 5.204 5.789 1.00 0.00 H new ATOM 0 HA LYS A 60 78.923 5.072 6.279 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.598 7.499 7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.871 7.576 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.657 5.630 8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.323 5.968 8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.183 8.150 8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.509 7.190 10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 60 80.975 7.873 10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.498 8.975 8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.550 10.092 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 78.962 10.060 10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.424 8.992 11.601 1.00 0.00 H new ATOM 930 N GLU A 61 78.946 7.167 4.358 1.00 0.00 N ATOM 931 CA GLU A 61 78.891 7.683 2.996 1.00 0.00 C ATOM 932 C GLU A 61 80.073 8.611 2.723 1.00 0.00 C ATOM 933 O GLU A 61 80.866 8.371 1.811 1.00 0.00 O ATOM 934 CB GLU A 61 77.582 8.445 2.779 1.00 0.00 C ATOM 935 CG GLU A 61 77.368 8.680 1.282 1.00 0.00 C ATOM 936 CD GLU A 61 76.277 9.723 1.069 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.135 9.430 1.383 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 76.599 10.800 0.594 1.00 0.00 O ATOM 0 H GLU A 61 78.294 7.603 5.010 1.00 0.00 H new ATOM 0 HA GLU A 61 78.940 6.840 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.747 7.879 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.612 9.398 3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.298 9.015 0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.089 7.746 0.795 1.00 0.00 H new ATOM 945 N GLU A 62 80.188 9.667 3.521 1.00 0.00 N ATOM 946 CA GLU A 62 81.277 10.623 3.349 1.00 0.00 C ATOM 947 C GLU A 62 82.612 10.004 3.745 1.00 0.00 C ATOM 948 O GLU A 62 83.628 10.219 3.084 1.00 0.00 O ATOM 949 CB GLU A 62 81.018 11.870 4.198 1.00 0.00 C ATOM 950 CG GLU A 62 79.697 12.511 3.773 1.00 0.00 C ATOM 951 CD GLU A 62 79.379 13.696 4.677 1.00 0.00 C ATOM 952 OE1 GLU A 62 78.845 13.470 5.751 1.00 0.00 O ATOM 953 OE2 GLU A 62 79.674 14.813 4.284 1.00 0.00 O1- ATOM 0 H GLU A 62 79.548 9.882 4.286 1.00 0.00 H new ATOM 0 HA GLU A 62 81.322 10.902 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 62 80.982 11.603 5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.835 12.581 4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.760 12.841 2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 62 78.893 11.777 3.826 1.00 0.00 H new ATOM 960 N THR A 63 82.608 9.229 4.821 1.00 0.00 N ATOM 961 CA THR A 63 83.832 8.585 5.277 1.00 0.00 C ATOM 962 C THR A 63 84.414 7.738 4.159 1.00 0.00 C ATOM 963 O THR A 63 85.631 7.664 3.985 1.00 0.00 O ATOM 964 CB THR A 63 83.543 7.700 6.488 1.00 0.00 C ATOM 965 OG1 THR A 63 82.619 6.687 6.119 1.00 0.00 O ATOM 966 CG2 THR A 63 82.955 8.546 7.612 1.00 0.00 C ATOM 0 H THR A 63 81.783 9.033 5.388 1.00 0.00 H new ATOM 0 HA THR A 63 84.549 9.355 5.561 1.00 0.00 H new ATOM 0 HB THR A 63 84.469 7.240 6.833 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.089 5.976 5.636 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.750 7.913 8.475 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.666 9.323 7.893 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.028 9.008 7.273 1.00 0.00 H new ATOM 974 N LEU A 64 83.533 7.102 3.396 1.00 0.00 N ATOM 975 CA LEU A 64 83.973 6.264 2.290 1.00 0.00 C ATOM 976 C LEU A 64 84.595 7.127 1.197 1.00 0.00 C ATOM 977 O LEU A 64 85.545 6.711 0.540 1.00 0.00 O ATOM 978 CB LEU A 64 82.795 5.468 1.711 1.00 0.00 C ATOM 979 CG LEU A 64 82.895 3.988 2.117 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.564 3.284 1.822 1.00 0.00 C ATOM 981 CD2 LEU A 64 84.019 3.305 1.324 1.00 0.00 C ATOM 0 H LEU A 64 82.522 7.150 3.521 1.00 0.00 H new ATOM 0 HA LEU A 64 84.718 5.563 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.854 5.887 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.789 5.554 0.624 1.00 0.00 H new ATOM 0 HG LEU A 64 83.115 3.924 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.636 2.235 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.766 3.762 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.344 3.354 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.085 2.257 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.804 3.372 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.966 3.801 1.535 1.00 0.00 H new ATOM 993 N MET A 65 84.049 8.327 1.003 1.00 0.00 N ATOM 994 CA MET A 65 84.573 9.223 -0.025 1.00 0.00 C ATOM 995 C MET A 65 86.059 9.478 0.191 1.00 0.00 C ATOM 996 O MET A 65 86.876 9.221 -0.694 1.00 0.00 O ATOM 997 CB MET A 65 83.825 10.557 -0.009 1.00 0.00 C ATOM 998 CG MET A 65 82.355 10.321 -0.345 1.00 0.00 C ATOM 999 SD MET A 65 81.431 11.861 -0.114 1.00 0.00 S ATOM 1000 CE MET A 65 81.061 12.169 -1.855 1.00 0.00 C ATOM 0 H MET A 65 83.259 8.695 1.533 1.00 0.00 H new ATOM 0 HA MET A 65 84.429 8.741 -0.992 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.914 11.024 0.972 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.268 11.243 -0.731 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.257 9.976 -1.374 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.945 9.539 0.294 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.485 13.090 -1.947 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.992 12.266 -2.413 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.482 11.337 -2.257 1.00 0.00 H new ATOM 1010 N GLU A 66 86.408 9.980 1.371 1.00 0.00 N ATOM 1011 CA GLU A 66 87.804 10.255 1.680 1.00 0.00 C ATOM 1012 C GLU A 66 88.618 8.971 1.585 1.00 0.00 C ATOM 1013 O GLU A 66 89.804 8.994 1.260 1.00 0.00 O ATOM 1014 CB GLU A 66 87.930 10.846 3.086 1.00 0.00 C ATOM 1015 CG GLU A 66 87.231 12.208 3.136 1.00 0.00 C ATOM 1016 CD GLU A 66 87.933 13.191 2.205 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.998 13.663 2.567 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 87.396 13.458 1.143 1.00 0.00 O ATOM 0 H GLU A 66 85.752 10.202 2.120 1.00 0.00 H new ATOM 0 HA GLU A 66 88.187 10.977 0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.485 10.171 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.981 10.956 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.186 12.101 2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.238 12.592 4.156 1.00 0.00 H new ATOM 1025 N TYR A 67 87.967 7.850 1.865 1.00 0.00 N ATOM 1026 CA TYR A 67 88.630 6.555 1.799 1.00 0.00 C ATOM 1027 C TYR A 67 88.749 6.094 0.350 1.00 0.00 C ATOM 1028 O TYR A 67 89.648 5.329 0.002 1.00 0.00 O ATOM 1029 CB TYR A 67 87.831 5.526 2.601 1.00 0.00 C ATOM 1030 CG TYR A 67 88.494 4.172 2.515 1.00 0.00 C ATOM 1031 CD1 TYR A 67 89.549 3.852 3.379 1.00 0.00 C ATOM 1032 CD2 TYR A 67 88.053 3.235 1.572 1.00 0.00 C ATOM 1033 CE1 TYR A 67 90.161 2.596 3.301 1.00 0.00 C ATOM 1034 CE2 TYR A 67 88.666 1.978 1.494 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.721 1.659 2.358 1.00 0.00 C ATOM 1036 OH TYR A 67 90.326 0.421 2.280 1.00 0.00 O ATOM 0 H TYR A 67 86.985 7.811 2.139 1.00 0.00 H new ATOM 0 HA TYR A 67 89.630 6.650 2.222 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.761 5.840 3.643 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.813 5.466 2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 67 89.890 4.575 4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 67 87.240 3.482 0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 67 90.973 2.349 3.969 1.00 0.00 H new ATOM 0 HE2 TYR A 67 88.325 1.255 0.768 1.00 0.00 H new ATOM 0 HH TYR A 67 90.308 0.106 1.352 1.00 0.00 H new ATOM 1046 N LEU A 68 87.828 6.562 -0.486 1.00 0.00 N ATOM 1047 CA LEU A 68 87.817 6.185 -1.896 1.00 0.00 C ATOM 1048 C LEU A 68 88.834 7.002 -2.693 1.00 0.00 C ATOM 1049 O LEU A 68 89.264 6.585 -3.768 1.00 0.00 O ATOM 1050 CB LEU A 68 86.405 6.388 -2.474 1.00 0.00 C ATOM 1051 CG LEU A 68 85.614 5.073 -2.413 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.148 5.335 -2.766 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.189 4.065 -3.409 1.00 0.00 C ATOM 0 H LEU A 68 87.081 7.201 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 68 88.095 5.134 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.882 7.162 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.472 6.733 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 68 85.687 4.669 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.590 4.400 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.724 6.044 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.084 5.748 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.620 3.137 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.125 4.473 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.232 3.866 -3.164 1.00 0.00 H new ATOM 1065 N GLU A 69 89.219 8.162 -2.167 1.00 0.00 N ATOM 1066 CA GLU A 69 90.193 9.012 -2.852 1.00 0.00 C ATOM 1067 C GLU A 69 91.581 8.812 -2.253 1.00 0.00 C ATOM 1068 O GLU A 69 92.573 9.334 -2.762 1.00 0.00 O ATOM 1069 CB GLU A 69 89.781 10.485 -2.741 1.00 0.00 C ATOM 1070 CG GLU A 69 90.051 11.007 -1.322 1.00 0.00 C ATOM 1071 CD GLU A 69 91.404 11.714 -1.258 1.00 0.00 C ATOM 1072 OE1 GLU A 69 92.179 11.558 -2.186 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 91.643 12.401 -0.279 1.00 0.00 O ATOM 0 H GLU A 69 88.878 8.533 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 69 90.220 8.732 -3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.335 11.081 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.723 10.593 -2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.260 11.696 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 69 90.034 10.178 -0.614 1.00 0.00 H new ATOM 1080 N ASN A 70 91.638 8.042 -1.175 1.00 0.00 N ATOM 1081 CA ASN A 70 92.904 7.759 -0.507 1.00 0.00 C ATOM 1082 C ASN A 70 92.710 6.693 0.571 1.00 0.00 C ATOM 1083 O ASN A 70 92.789 6.973 1.765 1.00 0.00 O ATOM 1084 CB ASN A 70 93.476 9.037 0.115 1.00 0.00 C ATOM 1085 CG ASN A 70 92.558 9.559 1.219 1.00 0.00 C ATOM 1086 OD1 ASN A 70 91.683 10.383 0.961 1.00 0.00 O ATOM 1087 ND2 ASN A 70 92.713 9.135 2.444 1.00 0.00 N ATOM 0 H ASN A 70 90.825 7.602 -0.744 1.00 0.00 H new ATOM 0 HA ASN A 70 93.609 7.384 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 70 94.466 8.837 0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.597 9.799 -0.655 1.00 0.00 H new ATOM 0 HD21 ASN A 70 92.108 9.487 3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 70 93.439 8.451 2.659 1.00 0.00 H new ATOM 1094 N PRO A 71 92.450 5.483 0.160 1.00 0.00 N ATOM 1095 CA PRO A 71 92.225 4.339 1.094 1.00 0.00 C ATOM 1096 C PRO A 71 93.360 4.161 2.105 1.00 0.00 C ATOM 1097 O PRO A 71 93.122 3.800 3.258 1.00 0.00 O ATOM 1098 CB PRO A 71 92.132 3.119 0.168 1.00 0.00 C ATOM 1099 CG PRO A 71 91.770 3.658 -1.178 1.00 0.00 C ATOM 1100 CD PRO A 71 92.339 5.074 -1.249 1.00 0.00 C ATOM 0 HA PRO A 71 91.334 4.495 1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.080 2.582 0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.379 2.415 0.523 1.00 0.00 H new ATOM 0 HG2 PRO A 71 92.185 3.034 -1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.688 3.668 -1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.308 5.090 -1.747 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.682 5.741 -1.808 1.00 0.00 H new ATOM 1108 N LYS A 72 94.590 4.394 1.661 1.00 0.00 N ATOM 1109 CA LYS A 72 95.750 4.229 2.533 1.00 0.00 C ATOM 1110 C LYS A 72 95.960 5.442 3.435 1.00 0.00 C ATOM 1111 O LYS A 72 96.181 5.296 4.638 1.00 0.00 O ATOM 1112 CB LYS A 72 97.002 4.013 1.682 1.00 0.00 C ATOM 1113 CG LYS A 72 98.206 3.701 2.585 1.00 0.00 C ATOM 1114 CD LYS A 72 98.247 2.201 2.906 1.00 0.00 C ATOM 1115 CE LYS A 72 98.881 1.434 1.741 1.00 0.00 C ATOM 1116 NZ LYS A 72 100.363 1.416 1.905 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.810 4.695 0.712 1.00 0.00 H new ATOM 0 HA LYS A 72 95.567 3.363 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.839 3.193 0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.205 4.903 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.130 4.001 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.138 4.277 3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.819 2.031 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.238 1.832 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 72 98.496 0.415 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.615 1.904 0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 100.793 0.895 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 100.723 2.392 1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 100.607 0.948 2.801 1.00 0.00 H new ATOM 1130 N LYS A 73 95.919 6.634 2.851 1.00 0.00 N ATOM 1131 CA LYS A 73 96.139 7.850 3.625 1.00 0.00 C ATOM 1132 C LYS A 73 95.103 7.997 4.738 1.00 0.00 C ATOM 1133 O LYS A 73 95.407 8.518 5.811 1.00 0.00 O ATOM 1134 CB LYS A 73 96.097 9.079 2.709 1.00 0.00 C ATOM 1135 CG LYS A 73 97.007 10.175 3.271 1.00 0.00 C ATOM 1136 CD LYS A 73 97.005 11.380 2.325 1.00 0.00 C ATOM 1137 CE LYS A 73 95.602 11.993 2.264 1.00 0.00 C ATOM 1138 NZ LYS A 73 95.708 13.436 1.905 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.738 6.784 1.858 1.00 0.00 H new ATOM 0 HA LYS A 73 97.125 7.777 4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.419 8.806 1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.075 9.448 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.662 10.476 4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 73 98.021 9.794 3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.722 12.125 2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 73 97.320 11.071 1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.995 11.467 1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 73 95.102 11.882 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.757 13.854 1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 96.273 13.932 2.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 96.169 13.530 0.977 1.00 0.00 H new ATOM 1152 N TYR A 74 93.879 7.543 4.482 1.00 0.00 N ATOM 1153 CA TYR A 74 92.822 7.644 5.484 1.00 0.00 C ATOM 1154 C TYR A 74 93.147 6.763 6.688 1.00 0.00 C ATOM 1155 O TYR A 74 93.224 7.244 7.819 1.00 0.00 O ATOM 1156 CB TYR A 74 91.476 7.230 4.874 1.00 0.00 C ATOM 1157 CG TYR A 74 90.357 8.039 5.498 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.327 9.431 5.339 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.351 7.398 6.232 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.293 10.180 5.914 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.317 8.148 6.807 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.288 9.539 6.648 1.00 0.00 C ATOM 1163 OH TYR A 74 87.269 10.277 7.215 1.00 0.00 O ATOM 0 H TYR A 74 93.597 7.108 3.604 1.00 0.00 H new ATOM 0 HA TYR A 74 92.754 8.679 5.818 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.492 7.387 3.795 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.304 6.166 5.039 1.00 0.00 H new ATOM 0 HD1 TYR A 74 91.102 9.926 4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.372 6.325 6.355 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.271 11.253 5.791 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.542 7.653 7.373 1.00 0.00 H new ATOM 0 HH TYR A 74 86.655 9.677 7.689 1.00 0.00 H new ATOM 1173 N ILE A 75 93.347 5.472 6.436 1.00 0.00 N ATOM 1174 CA ILE A 75 93.673 4.528 7.504 1.00 0.00 C ATOM 1175 C ILE A 75 94.914 3.718 7.134 1.00 0.00 C ATOM 1176 O ILE A 75 94.828 2.519 6.872 1.00 0.00 O ATOM 1177 CB ILE A 75 92.498 3.577 7.748 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.213 4.390 7.950 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.768 2.739 9.000 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.997 3.476 7.782 1.00 0.00 C ATOM 0 H ILE A 75 93.290 5.056 5.506 1.00 0.00 H new ATOM 0 HA ILE A 75 93.872 5.094 8.414 1.00 0.00 H new ATOM 0 HB ILE A 75 92.382 2.919 6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.208 4.841 8.942 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.170 5.206 7.229 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.931 2.063 9.173 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.680 2.159 8.860 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.885 3.398 9.860 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.084 4.054 7.926 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.000 3.046 6.780 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.039 2.675 8.520 1.00 0.00 H new ATOM 1192 N PRO A 76 96.057 4.352 7.107 1.00 0.00 N ATOM 1193 CA PRO A 76 97.342 3.682 6.759 1.00 0.00 C ATOM 1194 C PRO A 76 97.467 2.306 7.406 1.00 0.00 C ATOM 1195 O PRO A 76 97.161 2.135 8.584 1.00 0.00 O ATOM 1196 CB PRO A 76 98.398 4.645 7.302 1.00 0.00 C ATOM 1197 CG PRO A 76 97.762 5.996 7.233 1.00 0.00 C ATOM 1198 CD PRO A 76 96.254 5.781 7.407 1.00 0.00 C ATOM 0 HA PRO A 76 97.437 3.495 5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.675 4.391 8.325 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.310 4.607 6.706 1.00 0.00 H new ATOM 0 HG2 PRO A 76 98.153 6.648 8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.977 6.477 6.279 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.931 6.024 8.419 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.680 6.413 6.729 1.00 0.00 H new ATOM 1206 N GLY A 77 97.914 1.329 6.624 1.00 0.00 N ATOM 1207 CA GLY A 77 98.073 -0.033 7.125 1.00 0.00 C ATOM 1208 C GLY A 77 97.087 -0.974 6.444 1.00 0.00 C ATOM 1209 O GLY A 77 97.387 -2.146 6.218 1.00 0.00 O ATOM 0 H GLY A 77 98.172 1.453 5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.093 -0.375 6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 77 97.915 -0.050 8.203 1.00 0.00 H new ATOM 1213 N THR A 78 95.909 -0.451 6.116 1.00 0.00 N ATOM 1214 CA THR A 78 94.885 -1.252 5.457 1.00 0.00 C ATOM 1215 C THR A 78 95.442 -1.875 4.182 1.00 0.00 C ATOM 1216 O THR A 78 96.160 -1.220 3.424 1.00 0.00 O ATOM 1217 CB THR A 78 93.680 -0.378 5.118 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.704 -1.160 4.445 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.128 0.770 4.219 1.00 0.00 C ATOM 0 H THR A 78 95.642 0.517 6.295 1.00 0.00 H new ATOM 0 HA THR A 78 94.574 -2.048 6.134 1.00 0.00 H new ATOM 0 HB THR A 78 93.249 0.026 6.034 1.00 0.00 H new ATOM 0 HG1 THR A 78 91.929 -0.601 4.228 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.270 1.397 3.974 1.00 0.00 H new ATOM 0 HG22 THR A 78 94.878 1.367 4.738 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.557 0.367 3.301 1.00 0.00 H new ATOM 1227 N LYS A 79 95.118 -3.143 3.951 1.00 0.00 N ATOM 1228 CA LYS A 79 95.607 -3.838 2.762 1.00 0.00 C ATOM 1229 C LYS A 79 94.742 -3.521 1.545 1.00 0.00 C ATOM 1230 O LYS A 79 93.760 -4.209 1.276 1.00 0.00 O ATOM 1231 CB LYS A 79 95.615 -5.350 3.002 1.00 0.00 C ATOM 1232 CG LYS A 79 96.588 -5.693 4.137 1.00 0.00 C ATOM 1233 CD LYS A 79 97.121 -7.115 3.949 1.00 0.00 C ATOM 1234 CE LYS A 79 97.843 -7.559 5.222 1.00 0.00 C ATOM 1235 NZ LYS A 79 98.248 -8.988 5.093 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.526 -3.706 4.562 1.00 0.00 H new ATOM 0 HA LYS A 79 96.622 -3.493 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 79 94.612 -5.692 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 79 95.908 -5.870 2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.415 -4.983 4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.083 -5.608 5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 79 96.300 -7.797 3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 79 97.803 -7.150 3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 79 98.721 -6.935 5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 79 97.190 -7.432 6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 98.739 -9.289 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 97.403 -9.577 4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 98.885 -9.096 4.278 1.00 0.00 H new ATOM 1249 N MET A 80 95.124 -2.486 0.802 1.00 0.00 N ATOM 1250 CA MET A 80 94.381 -2.102 -0.394 1.00 0.00 C ATOM 1251 C MET A 80 95.103 -0.994 -1.159 1.00 0.00 C ATOM 1252 O MET A 80 94.944 0.189 -0.856 1.00 0.00 O ATOM 1253 CB MET A 80 92.976 -1.624 -0.016 1.00 0.00 C ATOM 1254 CG MET A 80 92.233 -1.182 -1.281 1.00 0.00 C ATOM 1255 SD MET A 80 90.459 -1.050 -0.932 1.00 0.00 S ATOM 1256 CE MET A 80 90.139 0.448 -1.897 1.00 0.00 C ATOM 0 H MET A 80 95.936 -1.903 1.004 1.00 0.00 H new ATOM 0 HA MET A 80 94.308 -2.980 -1.036 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.428 -2.425 0.480 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.039 -0.796 0.690 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.618 -0.222 -1.624 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.403 -1.899 -2.084 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.196 0.892 -1.577 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.948 1.161 -1.740 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.080 0.193 -2.955 1.00 0.00 H new ATOM 1266 N ILE A 81 95.887 -1.390 -2.159 1.00 0.00 N ATOM 1267 CA ILE A 81 96.624 -0.434 -2.983 1.00 0.00 C ATOM 1268 C ILE A 81 96.374 -0.716 -4.461 1.00 0.00 C ATOM 1269 O ILE A 81 97.000 -1.599 -5.047 1.00 0.00 O ATOM 1270 CB ILE A 81 98.127 -0.531 -2.699 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.410 -0.089 -1.257 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.886 0.383 -3.663 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.013 -1.195 -0.270 1.00 0.00 C ATOM 0 H ILE A 81 96.029 -2.366 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 81 96.276 0.570 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 81 98.453 -1.562 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.468 0.146 -1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.855 0.822 -1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.955 0.315 -3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.689 0.073 -4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.555 1.412 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.220 -0.866 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 81 96.949 -1.410 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.587 -2.097 -0.484 1.00 0.00 H new ATOM 1285 N PHE A 82 95.453 0.035 -5.058 1.00 0.00 N ATOM 1286 CA PHE A 82 95.125 -0.147 -6.470 1.00 0.00 C ATOM 1287 C PHE A 82 95.041 1.200 -7.181 1.00 0.00 C ATOM 1288 O PHE A 82 95.933 1.564 -7.948 1.00 0.00 O ATOM 1289 CB PHE A 82 93.789 -0.883 -6.602 1.00 0.00 C ATOM 1290 CG PHE A 82 93.426 -1.012 -8.063 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.181 -1.841 -8.900 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.332 -0.305 -8.580 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.845 -1.965 -10.253 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.997 -0.429 -9.934 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.753 -1.258 -10.770 1.00 0.00 C ATOM 0 H PHE A 82 94.923 0.771 -4.591 1.00 0.00 H new ATOM 0 HA PHE A 82 95.914 -0.738 -6.935 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.859 -1.870 -6.145 1.00 0.00 H new ATOM 0 HB3 PHE A 82 93.008 -0.340 -6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 82 95.024 -2.386 -8.502 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.748 0.335 -7.935 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.428 -2.606 -10.898 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.154 0.116 -10.333 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.494 -1.352 -11.814 1.00 0.00 H new ATOM 1305 N ALA A 83 93.965 1.936 -6.924 1.00 0.00 N ATOM 1306 CA ALA A 83 93.777 3.240 -7.547 1.00 0.00 C ATOM 1307 C ALA A 83 92.571 3.952 -6.944 1.00 0.00 C ATOM 1308 O ALA A 83 91.440 3.479 -7.054 1.00 0.00 O ATOM 1309 CB ALA A 83 93.573 3.075 -9.053 1.00 0.00 C ATOM 0 H ALA A 83 93.215 1.654 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 83 94.668 3.840 -7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.433 4.054 -9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.448 2.593 -9.488 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.692 2.460 -9.236 1.00 0.00 H new ATOM 1315 N GLY A 84 92.820 5.090 -6.305 1.00 0.00 N ATOM 1316 CA GLY A 84 91.747 5.859 -5.686 1.00 0.00 C ATOM 1317 C GLY A 84 90.873 6.524 -6.744 1.00 0.00 C ATOM 1318 O GLY A 84 91.109 6.374 -7.943 1.00 0.00 O ATOM 0 H GLY A 84 93.749 5.498 -6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.137 5.204 -5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.171 6.618 -5.029 1.00 0.00 H new ATOM 1322 N ILE A 85 89.862 7.260 -6.290 1.00 0.00 N ATOM 1323 CA ILE A 85 88.954 7.950 -7.204 1.00 0.00 C ATOM 1324 C ILE A 85 89.445 9.373 -7.466 1.00 0.00 C ATOM 1325 O ILE A 85 90.235 9.916 -6.692 1.00 0.00 O ATOM 1326 CB ILE A 85 87.547 7.982 -6.602 1.00 0.00 C ATOM 1327 CG1 ILE A 85 86.990 6.550 -6.518 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.631 8.848 -7.470 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.286 6.172 -7.826 1.00 0.00 C ATOM 0 H ILE A 85 89.651 7.394 -5.301 1.00 0.00 H new ATOM 0 HA ILE A 85 88.928 7.413 -8.152 1.00 0.00 H new ATOM 0 HB ILE A 85 87.593 8.409 -5.600 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.800 5.849 -6.318 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.290 6.474 -5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.631 8.867 -7.037 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.026 9.863 -7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.583 8.432 -8.476 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.898 5.156 -7.750 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.463 6.862 -8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 85 86.996 6.228 -8.651 1.00 0.00 H new ATOM 1341 N LYS A 86 88.988 9.967 -8.568 1.00 0.00 N ATOM 1342 CA LYS A 86 89.406 11.323 -8.926 1.00 0.00 C ATOM 1343 C LYS A 86 88.312 12.349 -8.627 1.00 0.00 C ATOM 1344 O LYS A 86 88.470 13.194 -7.746 1.00 0.00 O ATOM 1345 CB LYS A 86 89.762 11.377 -10.419 1.00 0.00 C ATOM 1346 CG LYS A 86 91.243 11.037 -10.617 1.00 0.00 C ATOM 1347 CD LYS A 86 91.605 11.166 -12.101 1.00 0.00 C ATOM 1348 CE LYS A 86 93.120 11.313 -12.251 1.00 0.00 C ATOM 1349 NZ LYS A 86 93.454 11.582 -13.679 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.335 9.536 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 86 90.279 11.573 -8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 86 89.142 10.674 -10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.552 12.370 -10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.863 11.707 -10.021 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.444 10.023 -10.270 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.259 10.288 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.101 12.030 -12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 86 93.481 12.127 -11.622 1.00 0.00 H new ATOM 0 HE3 LYS A 86 93.619 10.404 -11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 94.484 11.682 -13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.123 10.791 -14.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.989 12.460 -13.985 1.00 0.00 H new ATOM 1363 N LYS A 87 87.214 12.289 -9.379 1.00 0.00 N ATOM 1364 CA LYS A 87 86.122 13.241 -9.192 1.00 0.00 C ATOM 1365 C LYS A 87 85.237 12.856 -8.011 1.00 0.00 C ATOM 1366 O LYS A 87 85.261 11.720 -7.539 1.00 0.00 O ATOM 1367 CB LYS A 87 85.274 13.315 -10.463 1.00 0.00 C ATOM 1368 CG LYS A 87 86.190 13.392 -11.686 1.00 0.00 C ATOM 1369 CD LYS A 87 85.355 13.698 -12.931 1.00 0.00 C ATOM 1370 CE LYS A 87 86.185 13.420 -14.186 1.00 0.00 C ATOM 1371 NZ LYS A 87 87.551 13.990 -14.016 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.058 11.600 -10.115 1.00 0.00 H new ATOM 0 HA LYS A 87 86.563 14.216 -8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.629 12.439 -10.534 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.623 14.189 -10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.943 14.166 -11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.722 12.450 -11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.453 13.086 -12.936 1.00 0.00 H new ATOM 0 HD3 LYS A 87 85.033 14.739 -12.919 1.00 0.00 H new ATOM 0 HE2 LYS A 87 86.247 12.346 -14.363 1.00 0.00 H new ATOM 0 HE3 LYS A 87 85.702 13.860 -15.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 87.989 14.126 -14.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 87.487 14.906 -13.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 88.132 13.337 -13.452 1.00 0.00 H new ATOM 1385 N LYS A 88 84.450 13.819 -7.539 1.00 0.00 N ATOM 1386 CA LYS A 88 83.552 13.581 -6.417 1.00 0.00 C ATOM 1387 C LYS A 88 82.397 12.681 -6.842 1.00 0.00 C ATOM 1388 O LYS A 88 82.142 11.653 -6.219 1.00 0.00 O ATOM 1389 CB LYS A 88 83.003 14.910 -5.892 1.00 0.00 C ATOM 1390 CG LYS A 88 82.173 14.661 -4.627 1.00 0.00 C ATOM 1391 CD LYS A 88 81.567 15.987 -4.132 1.00 0.00 C ATOM 1392 CE LYS A 88 80.047 15.849 -4.007 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.461 17.155 -3.593 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.417 14.767 -7.915 1.00 0.00 H new ATOM 0 HA LYS A 88 84.113 13.086 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.824 15.592 -5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.388 15.387 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.380 13.944 -4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 88 82.800 14.224 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.997 16.256 -3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.812 16.791 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 88 79.621 15.533 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.800 15.079 -3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.429 17.061 -3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.859 17.439 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.685 17.878 -4.306 1.00 0.00 H new ATOM 1407 N THR A 89 81.702 13.073 -7.906 1.00 0.00 N ATOM 1408 CA THR A 89 80.576 12.284 -8.392 1.00 0.00 C ATOM 1409 C THR A 89 80.987 10.831 -8.575 1.00 0.00 C ATOM 1410 O THR A 89 80.158 9.927 -8.490 1.00 0.00 O ATOM 1411 CB THR A 89 80.065 12.835 -9.723 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.140 12.915 -10.647 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.467 14.226 -9.508 1.00 0.00 C ATOM 0 H THR A 89 81.895 13.920 -8.441 1.00 0.00 H new ATOM 0 HA THR A 89 79.779 12.344 -7.651 1.00 0.00 H new ATOM 0 HB THR A 89 79.297 12.171 -10.119 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.812 13.267 -11.501 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.103 14.617 -10.458 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.639 14.161 -8.802 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.232 14.893 -9.110 1.00 0.00 H new ATOM 1421 N GLU A 90 82.273 10.608 -8.816 1.00 0.00 N ATOM 1422 CA GLU A 90 82.771 9.253 -8.990 1.00 0.00 C ATOM 1423 C GLU A 90 82.668 8.509 -7.665 1.00 0.00 C ATOM 1424 O GLU A 90 82.309 7.334 -7.623 1.00 0.00 O ATOM 1425 CB GLU A 90 84.225 9.276 -9.467 1.00 0.00 C ATOM 1426 CG GLU A 90 84.277 9.659 -10.947 1.00 0.00 C ATOM 1427 CD GLU A 90 85.696 10.065 -11.331 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.542 10.093 -10.452 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.916 10.341 -12.500 1.00 0.00 O ATOM 0 H GLU A 90 82.981 11.339 -8.894 1.00 0.00 H new ATOM 0 HA GLU A 90 82.171 8.743 -9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.800 9.989 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.682 8.298 -9.319 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.952 8.819 -11.560 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.589 10.481 -11.143 1.00 0.00 H new ATOM 1436 N ARG A 91 82.972 9.217 -6.582 1.00 0.00 N ATOM 1437 CA ARG A 91 82.900 8.634 -5.249 1.00 0.00 C ATOM 1438 C ARG A 91 81.447 8.539 -4.794 1.00 0.00 C ATOM 1439 O ARG A 91 81.010 7.501 -4.307 1.00 0.00 O ATOM 1440 CB ARG A 91 83.691 9.495 -4.260 1.00 0.00 C ATOM 1441 CG ARG A 91 85.169 9.496 -4.658 1.00 0.00 C ATOM 1442 CD ARG A 91 86.034 10.017 -3.501 1.00 0.00 C ATOM 1443 NE ARG A 91 86.575 11.333 -3.829 1.00 0.00 N ATOM 1444 CZ ARG A 91 85.880 12.446 -3.602 1.00 0.00 C ATOM 1445 NH1 ARG A 91 84.682 12.379 -3.087 1.00 0.00 N ATOM 1446 NH2 ARG A 91 86.396 13.607 -3.897 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.270 10.192 -6.602 1.00 0.00 H new ATOM 0 HA ARG A 91 83.330 7.633 -5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.303 10.514 -4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.575 9.106 -3.248 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.480 8.487 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.315 10.121 -5.539 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.438 10.077 -2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.848 9.320 -3.303 1.00 0.00 H new ATOM 0 HE ARG A 91 87.506 11.401 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 91 84.276 11.472 -2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 91 84.153 13.234 -2.914 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.331 13.662 -4.301 1.00 0.00 H new ATOM 0 HH22 ARG A 91 85.865 14.460 -3.724 1.00 0.00 H new ATOM 1460 N GLU A 92 80.703 9.628 -4.963 1.00 0.00 N ATOM 1461 CA GLU A 92 79.299 9.644 -4.569 1.00 0.00 C ATOM 1462 C GLU A 92 78.533 8.568 -5.330 1.00 0.00 C ATOM 1463 O GLU A 92 77.862 7.727 -4.730 1.00 0.00 O ATOM 1464 CB GLU A 92 78.689 11.015 -4.866 1.00 0.00 C ATOM 1465 CG GLU A 92 77.296 11.107 -4.242 1.00 0.00 C ATOM 1466 CD GLU A 92 76.661 12.451 -4.585 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.402 13.390 -4.822 1.00 0.00 O ATOM 1468 OE2 GLU A 92 75.443 12.520 -4.607 1.00 0.00 O1- ATOM 0 H GLU A 92 81.044 10.501 -5.365 1.00 0.00 H new ATOM 0 HA GLU A 92 79.231 9.445 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.329 11.802 -4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.626 11.170 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.669 10.294 -4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.364 10.993 -3.160 1.00 0.00 H new ATOM 1475 N ASP A 93 78.650 8.594 -6.654 1.00 0.00 N ATOM 1476 CA ASP A 93 77.975 7.607 -7.487 1.00 0.00 C ATOM 1477 C ASP A 93 78.437 6.204 -7.110 1.00 0.00 C ATOM 1478 O ASP A 93 77.621 5.309 -6.885 1.00 0.00 O ATOM 1479 CB ASP A 93 78.281 7.870 -8.963 1.00 0.00 C ATOM 1480 CG ASP A 93 77.773 9.251 -9.361 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.188 9.912 -8.518 1.00 0.00 O ATOM 1482 OD2 ASP A 93 77.976 9.629 -10.503 1.00 0.00 O1- ATOM 0 H ASP A 93 79.201 9.281 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 93 76.900 7.686 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.355 7.804 -9.138 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.809 7.107 -9.583 1.00 0.00 H new ATOM 1487 N LEU A 94 79.752 6.023 -7.034 1.00 0.00 N ATOM 1488 CA LEU A 94 80.318 4.728 -6.675 1.00 0.00 C ATOM 1489 C LEU A 94 79.803 4.285 -5.317 1.00 0.00 C ATOM 1490 O LEU A 94 79.534 3.104 -5.096 1.00 0.00 O ATOM 1491 CB LEU A 94 81.844 4.822 -6.617 1.00 0.00 C ATOM 1492 CG LEU A 94 82.432 3.490 -6.150 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.958 2.371 -7.073 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.959 3.571 -6.186 1.00 0.00 C ATOM 0 H LEU A 94 80.442 6.752 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 94 80.020 4.002 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.239 5.078 -7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.142 5.619 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 94 82.102 3.282 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.378 1.422 -6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.870 2.315 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.288 2.575 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.382 2.623 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.288 3.778 -7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.297 4.370 -5.526 1.00 0.00 H new ATOM 1506 N ILE A 95 79.681 5.239 -4.406 1.00 0.00 N ATOM 1507 CA ILE A 95 79.211 4.936 -3.068 1.00 0.00 C ATOM 1508 C ILE A 95 77.711 4.680 -3.083 1.00 0.00 C ATOM 1509 O ILE A 95 77.190 3.929 -2.259 1.00 0.00 O ATOM 1510 CB ILE A 95 79.568 6.081 -2.113 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.045 5.931 -1.697 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.668 6.026 -0.869 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.727 7.300 -1.592 1.00 0.00 C ATOM 0 H ILE A 95 79.900 6.222 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 95 79.704 4.031 -2.712 1.00 0.00 H new ATOM 0 HB ILE A 95 79.416 7.039 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.106 5.416 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.571 5.313 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.928 6.843 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.625 6.122 -1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.812 5.074 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.768 7.166 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.685 7.802 -2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.213 7.906 -0.846 1.00 0.00 H new ATOM 1525 N ALA A 96 77.025 5.286 -4.043 1.00 0.00 N ATOM 1526 CA ALA A 96 75.591 5.087 -4.166 1.00 0.00 C ATOM 1527 C ALA A 96 75.318 3.632 -4.527 1.00 0.00 C ATOM 1528 O ALA A 96 74.338 3.037 -4.074 1.00 0.00 O ATOM 1529 CB ALA A 96 75.023 6.007 -5.246 1.00 0.00 C ATOM 0 H ALA A 96 77.433 5.911 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 96 75.109 5.325 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.948 5.849 -5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.218 7.046 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.498 5.783 -6.201 1.00 0.00 H new ATOM 1535 N TYR A 97 76.208 3.061 -5.335 1.00 0.00 N ATOM 1536 CA TYR A 97 76.069 1.670 -5.740 1.00 0.00 C ATOM 1537 C TYR A 97 76.490 0.752 -4.597 1.00 0.00 C ATOM 1538 O TYR A 97 75.820 -0.235 -4.308 1.00 0.00 O ATOM 1539 CB TYR A 97 76.930 1.380 -6.974 1.00 0.00 C ATOM 1540 CG TYR A 97 76.967 -0.113 -7.218 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.898 -0.744 -7.868 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.064 -0.867 -6.786 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.927 -2.126 -8.086 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.094 -2.250 -7.006 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.025 -2.879 -7.655 1.00 0.00 C ATOM 1546 OH TYR A 97 77.054 -4.242 -7.870 1.00 0.00 O ATOM 0 H TYR A 97 77.025 3.537 -5.718 1.00 0.00 H new ATOM 0 HA TYR A 97 75.024 1.486 -5.989 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.522 1.892 -7.845 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.940 1.761 -6.824 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.051 -0.163 -8.201 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.888 -0.382 -6.283 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.102 -2.611 -8.587 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.942 -2.831 -6.675 1.00 0.00 H new ATOM 0 HH TYR A 97 77.971 -4.522 -8.072 1.00 0.00 H new ATOM 1556 N LEU A 98 77.604 1.085 -3.951 1.00 0.00 N ATOM 1557 CA LEU A 98 78.097 0.282 -2.841 1.00 0.00 C ATOM 1558 C LEU A 98 77.029 0.176 -1.752 1.00 0.00 C ATOM 1559 O LEU A 98 77.037 -0.759 -0.952 1.00 0.00 O ATOM 1560 CB LEU A 98 79.370 0.916 -2.259 1.00 0.00 C ATOM 1561 CG LEU A 98 80.590 0.516 -3.107 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.711 1.545 -2.955 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.111 -0.840 -2.636 1.00 0.00 C ATOM 0 H LEU A 98 78.177 1.899 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 98 78.330 -0.718 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.270 2.001 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.510 0.590 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 98 80.283 0.467 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.565 1.245 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.356 2.521 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 98 82.012 1.603 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.975 -1.126 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.402 -0.774 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.328 -1.590 -2.748 1.00 0.00 H new ATOM 1575 N LYS A 99 76.113 1.142 -1.727 1.00 0.00 N ATOM 1576 CA LYS A 99 75.044 1.146 -0.731 1.00 0.00 C ATOM 1577 C LYS A 99 73.924 0.189 -1.139 1.00 0.00 C ATOM 1578 O LYS A 99 73.491 -0.649 -0.347 1.00 0.00 O ATOM 1579 CB LYS A 99 74.474 2.562 -0.573 1.00 0.00 C ATOM 1580 CG LYS A 99 75.356 3.381 0.378 1.00 0.00 C ATOM 1581 CD LYS A 99 74.611 4.648 0.809 1.00 0.00 C ATOM 1582 CE LYS A 99 74.487 5.604 -0.379 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.052 6.945 0.105 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.089 1.926 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 99 75.463 0.816 0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.421 3.052 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.456 2.512 -0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.616 2.785 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.291 3.647 -0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.621 4.389 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 99 75.144 5.135 1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.443 5.685 -0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.767 5.215 -1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.646 7.485 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.335 6.830 0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.871 7.458 0.489 1.00 0.00 H new ATOM 1597 N LYS A 100 73.458 0.325 -2.375 1.00 0.00 N ATOM 1598 CA LYS A 100 72.385 -0.528 -2.876 1.00 0.00 C ATOM 1599 C LYS A 100 72.911 -1.925 -3.197 1.00 0.00 C ATOM 1600 O LYS A 100 72.143 -2.883 -3.296 1.00 0.00 O ATOM 1601 CB LYS A 100 71.779 0.095 -4.138 1.00 0.00 C ATOM 1602 CG LYS A 100 70.410 -0.535 -4.424 1.00 0.00 C ATOM 1603 CD LYS A 100 70.044 -0.330 -5.901 1.00 0.00 C ATOM 1604 CE LYS A 100 70.649 -1.452 -6.749 1.00 0.00 C ATOM 1605 NZ LYS A 100 69.779 -2.659 -6.667 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.803 1.012 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 100 71.620 -0.613 -2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 100 71.674 1.172 -4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 100 72.445 -0.060 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.433 -1.599 -4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 100 69.651 -0.084 -3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 100 68.960 -0.318 -6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.412 0.637 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 100 70.744 -1.128 -7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 100 71.653 -1.689 -6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 70.335 -3.504 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 69.406 -2.753 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.988 -2.563 -7.335 1.00 0.00 H new ATOM 1619 N ALA A 101 74.225 -2.032 -3.358 1.00 0.00 N ATOM 1620 CA ALA A 101 74.851 -3.313 -3.669 1.00 0.00 C ATOM 1621 C ALA A 101 75.148 -4.092 -2.395 1.00 0.00 C ATOM 1622 O ALA A 101 75.114 -5.322 -2.385 1.00 0.00 O ATOM 1623 CB ALA A 101 76.151 -3.082 -4.441 1.00 0.00 C ATOM 0 H ALA A 101 74.876 -1.251 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 101 74.160 -3.893 -4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.614 -4.042 -4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.934 -2.553 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.833 -2.486 -3.835 1.00 0.00 H new ATOM 1629 N THR A 102 75.441 -3.368 -1.319 1.00 0.00 N ATOM 1630 CA THR A 102 75.743 -4.004 -0.042 1.00 0.00 C ATOM 1631 C THR A 102 74.467 -4.190 0.764 1.00 0.00 C ATOM 1632 O THR A 102 74.465 -4.833 1.814 1.00 0.00 O ATOM 1633 CB THR A 102 76.731 -3.143 0.748 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.183 -1.846 0.931 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.049 -3.042 -0.020 1.00 0.00 C ATOM 0 H THR A 102 75.476 -2.349 -1.305 1.00 0.00 H new ATOM 0 HA THR A 102 76.189 -4.980 -0.232 1.00 0.00 H new ATOM 0 HB THR A 102 76.916 -3.599 1.721 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.200 -1.361 0.080 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.752 -2.429 0.543 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.467 -4.039 -0.158 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.869 -2.586 -0.994 1.00 0.00 H new ATOM 1643 N ASN A 103 73.380 -3.622 0.259 1.00 0.00 N ATOM 1644 CA ASN A 103 72.089 -3.720 0.924 1.00 0.00 C ATOM 1645 C ASN A 103 71.338 -4.959 0.447 1.00 0.00 C ATOM 1646 O ASN A 103 70.474 -5.484 1.150 1.00 0.00 O ATOM 1647 CB ASN A 103 71.263 -2.468 0.625 1.00 0.00 C ATOM 1648 CG ASN A 103 71.677 -1.334 1.554 1.00 0.00 C ATOM 1649 OD1 ASN A 103 72.870 -1.340 2.076 1.00 0.00 O flip ATOM 1650 ND2 ASN A 103 70.893 -0.421 1.812 1.00 0.00 N flip ATOM 0 H ASN A 103 73.367 -3.088 -0.610 1.00 0.00 H new ATOM 0 HA ASN A 103 72.251 -3.802 1.999 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.405 -2.168 -0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.202 -2.684 0.752 1.00 0.00 H new ATOM 0 HD21 ASN A 103 69.959 -0.419 1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 103 71.177 0.334 2.436 1.00 0.00 H new ATOM 1657 N GLU A 104 71.679 -5.421 -0.753 1.00 0.00 N ATOM 1658 CA GLU A 104 71.038 -6.601 -1.327 1.00 0.00 C ATOM 1659 C GLU A 104 70.742 -7.639 -0.248 1.00 0.00 C ATOM 1660 O GLU A 104 71.658 -8.354 0.123 1.00 0.00 O ATOM 1661 CB GLU A 104 71.945 -7.220 -2.393 1.00 0.00 C ATOM 1662 CG GLU A 104 72.048 -6.274 -3.593 1.00 0.00 C ATOM 1663 CD GLU A 104 70.797 -6.389 -4.459 1.00 0.00 C ATOM 1664 OE1 GLU A 104 70.756 -7.281 -5.291 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 69.900 -5.582 -4.278 1.00 0.00 O ATOM 1666 OXT GLU A 104 69.606 -7.702 0.190 1.00 0.00 O ATOM 0 H GLU A 104 72.393 -4.998 -1.345 1.00 0.00 H new ATOM 0 HA GLU A 104 70.097 -6.290 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 104 72.936 -7.407 -1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 104 71.546 -8.183 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 104 72.168 -5.247 -3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 104 72.932 -6.517 -4.183 1.00 0.00 H new TER 1673 GLU A 104 HETATM 1674 FE HEC A 201 88.891 -2.719 -1.145 1.00 0.00 FE HETATM 1675 CHA HEC A 201 89.141 -3.238 2.188 1.00 0.00 C HETATM 1676 CHB HEC A 201 86.348 -0.552 -0.616 1.00 0.00 C HETATM 1677 CHC HEC A 201 88.753 -2.079 -4.463 1.00 0.00 C HETATM 1678 CHD HEC A 201 91.294 -5.038 -1.689 1.00 0.00 C HETATM 1679 NA HEC A 201 87.957 -2.041 0.436 1.00 0.00 N HETATM 1680 C1A HEC A 201 88.199 -2.340 1.759 1.00 0.00 C HETATM 1681 C2A HEC A 201 87.308 -1.625 2.636 1.00 0.00 C HETATM 1682 C3A HEC A 201 86.495 -0.890 1.843 1.00 0.00 C HETATM 1683 C4A HEC A 201 86.908 -1.149 0.485 1.00 0.00 C HETATM 1684 CMA HEC A 201 85.381 -0.001 2.286 1.00 0.00 C HETATM 1685 CAA HEC A 201 87.310 -1.661 4.124 1.00 0.00 C HETATM 1686 CBA HEC A 201 86.678 -2.934 4.683 1.00 0.00 C HETATM 1687 CGA HEC A 201 86.597 -2.851 6.198 1.00 0.00 C HETATM 1688 O1A HEC A 201 85.934 -3.692 6.782 1.00 0.00 O HETATM 1689 O2A HEC A 201 87.203 -1.955 6.753 1.00 0.00 O HETATM 1690 NB HEC A 201 87.800 -1.560 -2.285 1.00 0.00 N HETATM 1691 C1B HEC A 201 86.756 -0.741 -1.911 1.00 0.00 C HETATM 1692 C2B HEC A 201 86.160 -0.085 -3.045 1.00 0.00 C HETATM 1693 C3B HEC A 201 86.858 -0.490 -4.135 1.00 0.00 C HETATM 1694 C4B HEC A 201 87.870 -1.406 -3.653 1.00 0.00 C HETATM 1695 CMB HEC A 201 84.971 0.814 -3.023 1.00 0.00 C HETATM 1696 CAB HEC A 201 86.629 -0.065 -5.555 1.00 0.00 C HETATM 1697 CBB HEC A 201 86.897 1.429 -5.786 1.00 0.00 C HETATM 1698 NC HEC A 201 89.825 -3.398 -2.724 1.00 0.00 N HETATM 1699 C1C HEC A 201 89.663 -3.011 -4.036 1.00 0.00 C HETATM 1700 C2C HEC A 201 90.526 -3.752 -4.920 1.00 0.00 C HETATM 1701 C3C HEC A 201 91.214 -4.622 -4.146 1.00 0.00 C HETATM 1702 C4C HEC A 201 90.785 -4.385 -2.786 1.00 0.00 C HETATM 1703 CMC HEC A 201 90.650 -3.575 -6.394 1.00 0.00 C HETATM 1704 CAC HEC A 201 92.168 -5.674 -4.619 1.00 0.00 C HETATM 1705 CBC HEC A 201 93.382 -5.097 -5.363 1.00 0.00 C HETATM 1706 ND HEC A 201 89.975 -3.883 -0.004 1.00 0.00 N HETATM 1707 C1D HEC A 201 90.926 -4.803 -0.388 1.00 0.00 C HETATM 1708 C2D HEC A 201 91.514 -5.464 0.753 1.00 0.00 C HETATM 1709 C3D HEC A 201 90.918 -4.938 1.850 1.00 0.00 C HETATM 1710 C4D HEC A 201 89.969 -3.965 1.372 1.00 0.00 C HETATM 1711 CMD HEC A 201 92.579 -6.511 0.728 1.00 0.00 C HETATM 1712 CAD HEC A 201 91.193 -5.288 3.273 1.00 0.00 C HETATM 1713 CBD HEC A 201 92.021 -4.220 3.992 1.00 0.00 C HETATM 1714 CGD HEC A 201 92.337 -4.673 5.414 1.00 0.00 C HETATM 1715 O1D HEC A 201 92.443 -5.870 5.621 1.00 0.00 O HETATM 1716 O2D HEC A 201 92.470 -3.816 6.273 1.00 0.00 O HETATM 0 HMD3 HEC A 201 92.227 -7.374 0.163 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 93.474 -6.108 0.254 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 92.814 -6.816 1.748 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 89.684 -3.758 -6.865 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 90.973 -2.557 -6.612 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 91.383 -4.280 -6.785 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 84.110 0.269 -2.635 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 85.176 1.672 -2.383 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 84.756 1.158 -4.035 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 84.642 -0.588 2.831 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 85.775 0.780 2.936 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 84.911 0.456 1.415 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 92.946 -4.037 3.446 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 91.473 -3.278 4.015 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 93.043 -4.542 -6.238 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 93.931 -4.428 -4.700 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 94.035 -5.910 -5.680 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 86.234 2.020 -5.153 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 87.934 1.656 -5.537 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 86.714 1.674 -6.832 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 85.681 -3.069 4.264 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 87.268 -3.802 4.389 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 90.248 -5.425 3.799 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 91.721 -6.241 3.314 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 88.336 -1.581 4.484 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 86.770 -0.794 4.505 1.00 0.00 H new HETATM 0 HHD HEC A 201 92.050 -5.803 -1.866 1.00 0.00 H new HETATM 0 HHC HEC A 201 88.728 -1.854 -5.529 1.00 0.00 H new HETATM 0 HHB HEC A 201 85.512 0.127 -0.448 1.00 0.00 H new HETATM 0 HHA HEC A 201 89.240 -3.386 3.263 1.00 0.00 H new HETATM 1749 O HOH A 301 81.999 3.189 -0.816 1.00 0.00 O HETATM 1752 O HOH A 302 86.329 6.050 6.195 1.00 0.00 O HETATM 1755 O HOH A 303 83.383 -5.700 5.408 1.00 0.00 O HETATM 1758 O HOH A 304 83.723 -9.963 0.295 1.00 0.00 O