USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=23 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 -77:sc= 0.6 USER MOD Set 1.2: A 103 ASN : amide:sc= -4.11 K(o=-3.5,f=-0.9) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.533 K(o=-0.41,f=-3.9!) USER MOD Set 2.2: A 78 THR OG1 : rot 45:sc= 0.123 USER MOD Set 3.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= -0.301 USER MOD Set 4.1: A 31 ASN : amide:sc= -3.64! C(o=-12!,f=-24!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -8.82! C(o=-12!,f=-21!) USER MOD Single : A 1 GLY N :NH3+ 179:sc= -0.823 (180deg=-0.928) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.23! C(o=-2.2!,f=-4.4!) USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= -3.28! (180deg=-3.95!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 19 THR OG1 : rot 86:sc= 1.32 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -0.697! C(o=-0.7!,f=-5.6!) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= -0.0457 (180deg=-0.542) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 84:sc= -0.509 USER MOD Single : A 42 GLN : amide:sc= -1.05 X(o=-1.1,f=-1.5) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -120:sc= -1.42 USER MOD Single : A 49 THR OG1 : rot 140:sc= -0.358 USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.324) USER MOD Single : A 54 ASN : amide:sc= -10.3! C(o=-10!,f=-4.6!) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= 1 (180deg=0.311) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 80:sc= -2.99! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 45:sc= 1.07 USER MOD Single : A 70 ASN : amide:sc= -8.37! C(o=-8.4!,f=-14!) USER MOD Single : A 72 LYS NZ :NH3+ -139:sc= -3.58! (180deg=-6.1!) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.13) 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 -173:sc= -1.54 (180deg=-2.1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 75.381 9.309 -6.663 1.00 0.00 N ATOM 2 CA GLY A 1 73.994 9.781 -6.939 1.00 0.00 C ATOM 3 C GLY A 1 73.469 9.109 -8.203 1.00 0.00 C ATOM 4 O GLY A 1 72.372 9.415 -8.670 1.00 0.00 O ATOM 0 H1 GLY A 1 75.745 9.780 -5.810 1.00 0.00 H new ATOM 0 H2 GLY A 1 75.374 8.280 -6.513 1.00 0.00 H new ATOM 0 H3 GLY A 1 75.993 9.537 -7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 1 73.345 9.549 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 1 73.985 10.864 -7.060 1.00 0.00 H new ATOM 10 N ASP A 2 74.261 8.193 -8.752 1.00 0.00 N ATOM 11 CA ASP A 2 73.867 7.480 -9.965 1.00 0.00 C ATOM 12 C ASP A 2 74.250 6.011 -9.871 1.00 0.00 C ATOM 13 O ASP A 2 75.293 5.595 -10.372 1.00 0.00 O ATOM 14 CB ASP A 2 74.544 8.104 -11.186 1.00 0.00 C ATOM 15 CG ASP A 2 74.070 9.542 -11.368 1.00 0.00 C ATOM 16 OD1 ASP A 2 72.899 9.727 -11.657 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.885 10.437 -11.216 1.00 0.00 O1- ATOM 0 H ASP A 2 75.173 7.927 -8.380 1.00 0.00 H new ATOM 0 HA ASP A 2 72.785 7.558 -10.070 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.627 8.082 -11.062 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.313 7.521 -12.078 1.00 0.00 H new ATOM 22 N VAL A 3 73.390 5.232 -9.232 1.00 0.00 N ATOM 23 CA VAL A 3 73.629 3.806 -9.079 1.00 0.00 C ATOM 24 C VAL A 3 74.064 3.195 -10.407 1.00 0.00 C ATOM 25 O VAL A 3 74.666 2.122 -10.440 1.00 0.00 O ATOM 26 CB VAL A 3 72.348 3.125 -8.596 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.250 3.309 -9.646 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.605 1.632 -8.382 1.00 0.00 C ATOM 0 H VAL A 3 72.522 5.563 -8.812 1.00 0.00 H new ATOM 0 HA VAL A 3 74.423 3.657 -8.348 1.00 0.00 H new ATOM 0 HB VAL A 3 72.033 3.573 -7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.335 2.825 -9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.064 4.373 -9.795 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.568 2.861 -10.587 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.689 1.151 -8.038 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.922 1.179 -9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.387 1.501 -7.634 1.00 0.00 H new ATOM 38 N GLU A 4 73.752 3.884 -11.502 1.00 0.00 N ATOM 39 CA GLU A 4 74.114 3.391 -12.826 1.00 0.00 C ATOM 40 C GLU A 4 75.613 3.533 -13.065 1.00 0.00 C ATOM 41 O GLU A 4 76.307 2.548 -13.318 1.00 0.00 O ATOM 42 CB GLU A 4 73.349 4.162 -13.904 1.00 0.00 C ATOM 43 CG GLU A 4 71.843 4.022 -13.663 1.00 0.00 C ATOM 44 CD GLU A 4 71.079 4.968 -14.583 1.00 0.00 C ATOM 45 OE1 GLU A 4 70.771 4.563 -15.692 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 70.812 6.082 -14.165 1.00 0.00 O ATOM 0 H GLU A 4 73.255 4.775 -11.499 1.00 0.00 H new ATOM 0 HA GLU A 4 73.848 2.335 -12.879 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.635 5.214 -13.885 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.607 3.779 -14.892 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.531 2.994 -13.845 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.610 4.246 -12.622 1.00 0.00 H new ATOM 53 N LYS A 5 76.107 4.762 -12.981 1.00 0.00 N ATOM 54 CA LYS A 5 77.527 5.011 -13.188 1.00 0.00 C ATOM 55 C LYS A 5 78.329 4.455 -12.022 1.00 0.00 C ATOM 56 O LYS A 5 79.519 4.169 -12.152 1.00 0.00 O ATOM 57 CB LYS A 5 77.785 6.512 -13.326 1.00 0.00 C ATOM 58 CG LYS A 5 77.350 6.984 -14.717 1.00 0.00 C ATOM 59 CD LYS A 5 77.442 8.513 -14.800 1.00 0.00 C ATOM 60 CE LYS A 5 76.131 9.139 -14.315 1.00 0.00 C ATOM 61 NZ LYS A 5 76.264 10.623 -14.305 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.553 5.593 -12.773 1.00 0.00 H new ATOM 0 HA LYS A 5 77.839 4.512 -14.106 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.236 7.057 -12.558 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.843 6.725 -13.173 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.984 6.531 -15.479 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.329 6.661 -14.918 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.273 8.870 -14.192 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.644 8.819 -15.826 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.310 8.841 -14.967 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.891 8.778 -13.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.374 11.049 -13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 77.037 10.898 -13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 76.474 10.959 -15.267 1.00 0.00 H new ATOM 75 N GLY A 6 77.663 4.283 -10.888 1.00 0.00 N ATOM 76 CA GLY A 6 78.324 3.735 -9.714 1.00 0.00 C ATOM 77 C GLY A 6 78.616 2.265 -9.948 1.00 0.00 C ATOM 78 O GLY A 6 79.639 1.738 -9.510 1.00 0.00 O ATOM 0 H GLY A 6 76.678 4.512 -10.757 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.250 4.275 -9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.691 3.857 -8.835 1.00 0.00 H new ATOM 82 N LYS A 7 77.706 1.616 -10.664 1.00 0.00 N ATOM 83 CA LYS A 7 77.858 0.209 -10.985 1.00 0.00 C ATOM 84 C LYS A 7 79.011 0.018 -11.964 1.00 0.00 C ATOM 85 O LYS A 7 79.818 -0.895 -11.812 1.00 0.00 O ATOM 86 CB LYS A 7 76.564 -0.326 -11.603 1.00 0.00 C ATOM 87 CG LYS A 7 76.633 -1.853 -11.706 1.00 0.00 C ATOM 88 CD LYS A 7 75.592 -2.352 -12.718 1.00 0.00 C ATOM 89 CE LYS A 7 76.191 -2.342 -14.128 1.00 0.00 C ATOM 90 NZ LYS A 7 75.094 -2.374 -15.134 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.857 2.044 -11.032 1.00 0.00 H new ATOM 0 HA LYS A 7 78.073 -0.341 -10.069 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.710 -0.031 -10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.415 0.108 -12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.632 -2.161 -12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.449 -2.301 -10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.272 -3.361 -12.456 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.706 -1.718 -12.685 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.802 -1.450 -14.269 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.847 -3.202 -14.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.501 -2.367 -16.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.529 -3.237 -15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.485 -1.540 -15.011 1.00 0.00 H new ATOM 104 N LYS A 8 79.084 0.890 -12.970 1.00 0.00 N ATOM 105 CA LYS A 8 80.148 0.797 -13.963 1.00 0.00 C ATOM 106 C LYS A 8 81.517 0.932 -13.300 1.00 0.00 C ATOM 107 O LYS A 8 82.430 0.144 -13.559 1.00 0.00 O ATOM 108 CB LYS A 8 79.975 1.896 -15.016 1.00 0.00 C ATOM 109 CG LYS A 8 81.148 1.856 -16.011 1.00 0.00 C ATOM 110 CD LYS A 8 82.163 2.957 -15.674 1.00 0.00 C ATOM 111 CE LYS A 8 81.697 4.289 -16.268 1.00 0.00 C ATOM 112 NZ LYS A 8 82.417 5.409 -15.599 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.428 1.657 -13.116 1.00 0.00 H new ATOM 0 HA LYS A 8 80.087 -0.180 -14.443 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.032 1.759 -15.546 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.930 2.872 -14.532 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.633 0.880 -15.975 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.778 1.991 -17.027 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.270 3.048 -14.593 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.144 2.694 -16.071 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.889 4.308 -17.341 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.621 4.403 -16.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.101 6.314 -16.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.212 5.393 -14.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.441 5.302 -15.748 1.00 0.00 H new ATOM 126 N ILE A 9 81.651 1.937 -12.443 1.00 0.00 N ATOM 127 CA ILE A 9 82.908 2.176 -11.749 1.00 0.00 C ATOM 128 C ILE A 9 83.210 1.052 -10.767 1.00 0.00 C ATOM 129 O ILE A 9 84.357 0.844 -10.385 1.00 0.00 O ATOM 130 CB ILE A 9 82.834 3.504 -10.996 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.590 4.640 -11.993 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.150 3.749 -10.259 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.154 5.896 -11.237 1.00 0.00 C ATOM 0 H ILE A 9 80.907 2.596 -12.213 1.00 0.00 H new ATOM 0 HA ILE A 9 83.707 2.213 -12.489 1.00 0.00 H new ATOM 0 HB ILE A 9 82.017 3.468 -10.275 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.498 4.841 -12.561 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.823 4.350 -12.711 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.096 4.696 -9.723 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.326 2.940 -9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 9 84.968 3.786 -10.978 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.980 6.705 -11.946 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.235 5.690 -10.689 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.936 6.189 -10.537 1.00 0.00 H new ATOM 145 N PHE A 10 82.174 0.339 -10.347 1.00 0.00 N ATOM 146 CA PHE A 10 82.356 -0.748 -9.390 1.00 0.00 C ATOM 147 C PHE A 10 82.826 -2.031 -10.079 1.00 0.00 C ATOM 148 O PHE A 10 83.816 -2.631 -9.668 1.00 0.00 O ATOM 149 CB PHE A 10 81.037 -1.017 -8.652 1.00 0.00 C ATOM 150 CG PHE A 10 81.028 -2.440 -8.145 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.542 -3.468 -8.960 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.521 -2.732 -6.869 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.549 -4.789 -8.502 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.527 -4.053 -6.408 1.00 0.00 C ATOM 155 CZ PHE A 10 81.042 -5.083 -7.225 1.00 0.00 C ATOM 0 H PHE A 10 81.211 0.489 -10.648 1.00 0.00 H new ATOM 0 HA PHE A 10 83.125 -0.443 -8.680 1.00 0.00 H new ATOM 0 HB2 PHE A 10 80.925 -0.322 -7.820 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.193 -0.852 -9.321 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.161 -3.241 -9.945 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.897 -1.938 -6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.175 -5.582 -9.133 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.906 -4.279 -5.422 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.048 -6.103 -6.870 1.00 0.00 H new ATOM 165 N VAL A 11 82.103 -2.454 -11.112 1.00 0.00 N ATOM 166 CA VAL A 11 82.453 -3.680 -11.826 1.00 0.00 C ATOM 167 C VAL A 11 83.889 -3.642 -12.318 1.00 0.00 C ATOM 168 O VAL A 11 84.542 -4.679 -12.437 1.00 0.00 O ATOM 169 CB VAL A 11 81.526 -3.884 -13.025 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.092 -4.071 -12.537 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.597 -2.662 -13.940 1.00 0.00 C ATOM 0 H VAL A 11 81.279 -1.972 -11.471 1.00 0.00 H new ATOM 0 HA VAL A 11 82.340 -4.507 -11.125 1.00 0.00 H new ATOM 0 HB VAL A 11 81.840 -4.770 -13.577 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.433 -4.216 -13.393 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.040 -4.944 -11.886 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.778 -3.186 -11.983 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.936 -2.808 -14.794 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.285 -1.775 -13.388 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.620 -2.530 -14.291 1.00 0.00 H new ATOM 181 N GLN A 12 84.366 -2.450 -12.635 1.00 0.00 N ATOM 182 CA GLN A 12 85.723 -2.307 -13.151 1.00 0.00 C ATOM 183 C GLN A 12 86.731 -1.931 -12.066 1.00 0.00 C ATOM 184 O GLN A 12 87.928 -2.170 -12.226 1.00 0.00 O ATOM 185 CB GLN A 12 85.741 -1.239 -14.243 1.00 0.00 C ATOM 186 CG GLN A 12 85.511 0.140 -13.622 1.00 0.00 C ATOM 187 CD GLN A 12 85.246 1.154 -14.726 1.00 0.00 C ATOM 188 OE1 GLN A 12 84.910 2.307 -14.450 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.380 0.790 -15.972 1.00 0.00 N ATOM 0 H GLN A 12 83.845 -1.577 -12.547 1.00 0.00 H new ATOM 0 HA GLN A 12 86.019 -3.277 -13.550 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.697 -1.257 -14.767 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.968 -1.449 -14.982 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.666 0.105 -12.935 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.383 0.439 -13.040 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.658 -0.165 -16.197 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.207 1.461 -16.721 1.00 0.00 H new ATOM 198 N LYS A 13 86.267 -1.306 -10.985 1.00 0.00 N ATOM 199 CA LYS A 13 87.187 -0.871 -9.929 1.00 0.00 C ATOM 200 C LYS A 13 87.211 -1.788 -8.697 1.00 0.00 C ATOM 201 O LYS A 13 88.259 -2.337 -8.360 1.00 0.00 O ATOM 202 CB LYS A 13 86.833 0.557 -9.498 1.00 0.00 C ATOM 203 CG LYS A 13 88.055 1.229 -8.861 1.00 0.00 C ATOM 204 CD LYS A 13 87.811 2.740 -8.745 1.00 0.00 C ATOM 205 CE LYS A 13 88.263 3.440 -10.031 1.00 0.00 C ATOM 206 NZ LYS A 13 88.061 4.909 -9.895 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.284 -1.092 -10.816 1.00 0.00 H new ATOM 0 HA LYS A 13 88.187 -0.916 -10.360 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.498 1.134 -10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.007 0.537 -8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.243 0.804 -7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 13 88.943 1.039 -9.465 1.00 0.00 H new ATOM 0 HD2 LYS A 13 86.753 2.934 -8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.357 3.141 -7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.313 3.223 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.696 3.062 -10.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 88.534 5.399 -10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 87.043 5.123 -9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 88.464 5.233 -8.993 1.00 0.00 H new ATOM 220 N CYS A 14 86.087 -1.903 -7.987 1.00 0.00 N ATOM 221 CA CYS A 14 86.056 -2.704 -6.751 1.00 0.00 C ATOM 222 C CYS A 14 85.772 -4.190 -6.983 1.00 0.00 C ATOM 223 O CYS A 14 86.306 -5.038 -6.269 1.00 0.00 O ATOM 224 CB CYS A 14 85.013 -2.132 -5.785 1.00 0.00 C ATOM 225 SG CYS A 14 84.955 -0.321 -5.922 1.00 0.00 S ATOM 0 H CYS A 14 85.201 -1.464 -8.235 1.00 0.00 H new ATOM 0 HA CYS A 14 87.057 -2.640 -6.324 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.032 -2.552 -6.007 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.258 -2.419 -4.762 1.00 0.00 H new ATOM 230 N ALA A 15 84.931 -4.512 -7.951 1.00 0.00 N ATOM 231 CA ALA A 15 84.599 -5.912 -8.208 1.00 0.00 C ATOM 232 C ALA A 15 85.862 -6.767 -8.275 1.00 0.00 C ATOM 233 O ALA A 15 85.827 -7.966 -8.004 1.00 0.00 O ATOM 234 CB ALA A 15 83.835 -6.032 -9.526 1.00 0.00 C ATOM 0 H ALA A 15 84.470 -3.840 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 15 83.977 -6.270 -7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.591 -7.078 -9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.915 -5.450 -9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.453 -5.654 -10.340 1.00 0.00 H new ATOM 240 N GLN A 16 86.970 -6.143 -8.649 1.00 0.00 N ATOM 241 CA GLN A 16 88.239 -6.851 -8.762 1.00 0.00 C ATOM 242 C GLN A 16 88.511 -7.729 -7.539 1.00 0.00 C ATOM 243 O GLN A 16 88.607 -8.950 -7.660 1.00 0.00 O ATOM 244 CB GLN A 16 89.374 -5.843 -8.935 1.00 0.00 C ATOM 245 CG GLN A 16 89.160 -5.040 -10.228 1.00 0.00 C ATOM 246 CD GLN A 16 90.072 -5.564 -11.334 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.200 -6.776 -11.512 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.717 -4.720 -12.091 1.00 0.00 N ATOM 0 H GLN A 16 87.017 -5.150 -8.879 1.00 0.00 H new ATOM 0 HA GLN A 16 88.182 -7.503 -9.633 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.409 -5.170 -8.079 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.332 -6.362 -8.972 1.00 0.00 H new ATOM 0 HG2 GLN A 16 88.118 -5.113 -10.541 1.00 0.00 H new ATOM 0 HG3 GLN A 16 89.366 -3.985 -10.047 1.00 0.00 H new ATOM 0 HE21 GLN A 16 90.610 -3.717 -11.942 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.328 -5.063 -12.832 1.00 0.00 H new ATOM 257 N CYS A 17 88.655 -7.107 -6.366 1.00 0.00 N ATOM 258 CA CYS A 17 88.939 -7.862 -5.141 1.00 0.00 C ATOM 259 C CYS A 17 87.839 -7.676 -4.092 1.00 0.00 C ATOM 260 O CYS A 17 88.131 -7.437 -2.922 1.00 0.00 O ATOM 261 CB CYS A 17 90.287 -7.416 -4.546 1.00 0.00 C ATOM 262 SG CYS A 17 91.302 -6.629 -5.826 1.00 0.00 S ATOM 0 H CYS A 17 88.581 -6.098 -6.238 1.00 0.00 H new ATOM 0 HA CYS A 17 88.980 -8.917 -5.410 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.118 -6.719 -3.725 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.813 -8.276 -4.131 1.00 0.00 H new ATOM 267 N HIS A 18 86.577 -7.799 -4.502 1.00 0.00 N ATOM 268 CA HIS A 18 85.470 -7.647 -3.555 1.00 0.00 C ATOM 269 C HIS A 18 84.224 -8.388 -4.036 1.00 0.00 C ATOM 270 O HIS A 18 84.247 -9.065 -5.064 1.00 0.00 O ATOM 271 CB HIS A 18 85.143 -6.165 -3.358 1.00 0.00 C ATOM 272 CG HIS A 18 86.172 -5.529 -2.460 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.794 -6.218 -1.425 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.696 -4.264 -2.432 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.652 -5.367 -0.828 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.627 -4.164 -1.406 1.00 0.00 N ATOM 0 H HIS A 18 86.298 -7.999 -5.462 1.00 0.00 H new ATOM 0 HA HIS A 18 85.782 -8.080 -2.605 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.124 -5.656 -4.322 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.150 -6.057 -2.921 1.00 0.00 H new ATOM 0 HD1 HIS A 18 86.631 -7.191 -1.165 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.426 -3.465 -3.106 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.280 -5.626 0.012 1.00 0.00 H new ATOM 284 N THR A 19 83.139 -8.262 -3.270 1.00 0.00 N ATOM 285 CA THR A 19 81.881 -8.928 -3.604 1.00 0.00 C ATOM 286 C THR A 19 80.698 -7.979 -3.394 1.00 0.00 C ATOM 287 O THR A 19 79.752 -7.965 -4.182 1.00 0.00 O ATOM 288 CB THR A 19 81.719 -10.168 -2.713 1.00 0.00 C ATOM 289 OG1 THR A 19 82.748 -10.175 -1.734 1.00 0.00 O ATOM 290 CG2 THR A 19 81.821 -11.437 -3.560 1.00 0.00 C ATOM 0 H THR A 19 83.107 -7.706 -2.416 1.00 0.00 H new ATOM 0 HA THR A 19 81.901 -9.225 -4.653 1.00 0.00 H new ATOM 0 HB THR A 19 80.743 -10.138 -2.229 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.466 -9.644 -0.960 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.705 -12.312 -2.920 1.00 0.00 H new ATOM 0 HG22 THR A 19 81.036 -11.434 -4.316 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.795 -11.471 -4.048 1.00 0.00 H new ATOM 298 N VAL A 20 80.767 -7.193 -2.324 1.00 0.00 N ATOM 299 CA VAL A 20 79.714 -6.234 -1.997 1.00 0.00 C ATOM 300 C VAL A 20 78.320 -6.829 -2.187 1.00 0.00 C ATOM 301 O VAL A 20 77.383 -6.119 -2.549 1.00 0.00 O ATOM 302 CB VAL A 20 79.860 -4.971 -2.852 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.284 -4.426 -2.718 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.584 -5.295 -4.318 1.00 0.00 C ATOM 0 H VAL A 20 81.545 -7.201 -1.665 1.00 0.00 H new ATOM 0 HA VAL A 20 79.826 -5.977 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 20 79.143 -4.226 -2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.388 -3.527 -3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.484 -4.183 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.995 -5.179 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.690 -4.390 -4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.294 -6.045 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.570 -5.681 -4.421 1.00 0.00 H new ATOM 314 N GLU A 21 78.180 -8.127 -1.928 1.00 0.00 N ATOM 315 CA GLU A 21 76.882 -8.785 -2.067 1.00 0.00 C ATOM 316 C GLU A 21 76.581 -9.631 -0.833 1.00 0.00 C ATOM 317 O GLU A 21 77.288 -10.594 -0.537 1.00 0.00 O ATOM 318 CB GLU A 21 76.858 -9.655 -3.330 1.00 0.00 C ATOM 319 CG GLU A 21 77.658 -10.939 -3.102 1.00 0.00 C ATOM 320 CD GLU A 21 78.076 -11.540 -4.441 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.662 -11.013 -5.461 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.804 -12.519 -4.427 1.00 0.00 O ATOM 0 H GLU A 21 78.938 -8.738 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 21 76.112 -8.019 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.829 -9.901 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.277 -9.101 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.540 -10.725 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.057 -11.657 -2.544 1.00 0.00 H new ATOM 329 N LYS A 22 75.530 -9.253 -0.113 1.00 0.00 N ATOM 330 CA LYS A 22 75.141 -9.972 1.096 1.00 0.00 C ATOM 331 C LYS A 22 75.135 -11.476 0.850 1.00 0.00 C ATOM 332 O LYS A 22 74.771 -11.939 -0.231 1.00 0.00 O ATOM 333 CB LYS A 22 73.749 -9.516 1.547 1.00 0.00 C ATOM 334 CG LYS A 22 73.416 -10.113 2.925 1.00 0.00 C ATOM 335 CD LYS A 22 72.496 -11.327 2.761 1.00 0.00 C ATOM 336 CE LYS A 22 72.120 -11.871 4.141 1.00 0.00 C ATOM 337 NZ LYS A 22 71.015 -12.861 4.000 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.935 -8.457 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 22 75.867 -9.751 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.713 -8.428 1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.002 -9.828 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.334 -10.408 3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 22 72.932 -9.361 3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 22 71.598 -11.045 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 22 72.996 -12.100 2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 22 72.986 -12.341 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 22 71.810 -11.055 4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 70.759 -13.231 4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 70.187 -12.399 3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 71.327 -13.645 3.392 1.00 0.00 H new ATOM 351 N GLY A 23 75.541 -12.235 1.863 1.00 0.00 N ATOM 352 CA GLY A 23 75.578 -13.688 1.751 1.00 0.00 C ATOM 353 C GLY A 23 76.451 -14.125 0.579 1.00 0.00 C ATOM 354 O GLY A 23 76.246 -15.196 0.007 1.00 0.00 O ATOM 0 H GLY A 23 75.847 -11.871 2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.963 -14.118 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.566 -14.072 1.618 1.00 0.00 H new ATOM 358 N GLY A 24 77.426 -13.292 0.226 1.00 0.00 N ATOM 359 CA GLY A 24 78.323 -13.606 -0.878 1.00 0.00 C ATOM 360 C GLY A 24 79.534 -14.390 -0.390 1.00 0.00 C ATOM 361 O GLY A 24 79.427 -15.222 0.511 1.00 0.00 O ATOM 0 H GLY A 24 77.613 -12.401 0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.789 -14.185 -1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.651 -12.684 -1.358 1.00 0.00 H new ATOM 365 N LYS A 25 80.684 -14.115 -0.994 1.00 0.00 N ATOM 366 CA LYS A 25 81.920 -14.794 -0.620 1.00 0.00 C ATOM 367 C LYS A 25 83.115 -13.864 -0.803 1.00 0.00 C ATOM 368 O LYS A 25 83.515 -13.569 -1.929 1.00 0.00 O ATOM 369 CB LYS A 25 82.115 -16.048 -1.481 1.00 0.00 C ATOM 370 CG LYS A 25 80.761 -16.722 -1.729 1.00 0.00 C ATOM 371 CD LYS A 25 80.965 -18.013 -2.533 1.00 0.00 C ATOM 372 CE LYS A 25 80.985 -17.694 -4.030 1.00 0.00 C ATOM 373 NZ LYS A 25 81.248 -18.941 -4.802 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.787 -13.429 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 25 81.849 -15.082 0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.578 -15.780 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 25 82.791 -16.742 -0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.276 -16.947 -0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 25 80.101 -16.045 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 25 81.901 -18.490 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 25 80.165 -18.720 -2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.032 -17.261 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 25 81.755 -16.952 -4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 81.261 -18.723 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 82.168 -19.336 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.499 -19.635 -4.606 1.00 0.00 H new ATOM 387 N HIS A 26 83.681 -13.403 0.306 1.00 0.00 N ATOM 388 CA HIS A 26 84.830 -12.508 0.249 1.00 0.00 C ATOM 389 C HIS A 26 85.947 -13.127 -0.589 1.00 0.00 C ATOM 390 O HIS A 26 86.404 -14.235 -0.311 1.00 0.00 O ATOM 391 CB HIS A 26 85.343 -12.221 1.666 1.00 0.00 C ATOM 392 CG HIS A 26 85.131 -13.431 2.534 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.186 -14.722 2.031 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.864 -13.562 3.875 1.00 0.00 C ATOM 395 CE1 HIS A 26 84.957 -15.565 3.054 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.755 -14.910 4.200 1.00 0.00 N ATOM 0 H HIS A 26 83.366 -13.632 1.249 1.00 0.00 H new ATOM 0 HA HIS A 26 84.518 -11.573 -0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.402 -11.964 1.635 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.819 -11.363 2.087 1.00 0.00 H new ATOM 0 HD1 HIS A 26 85.367 -14.985 1.062 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.755 -12.743 4.571 1.00 0.00 H new ATOM 0 HE1 HIS A 26 84.939 -16.641 2.960 1.00 0.00 H new ATOM 405 N LYS A 27 86.379 -12.399 -1.617 1.00 0.00 N ATOM 406 CA LYS A 27 87.443 -12.877 -2.500 1.00 0.00 C ATOM 407 C LYS A 27 88.610 -11.893 -2.507 1.00 0.00 C ATOM 408 O LYS A 27 88.412 -10.686 -2.640 1.00 0.00 O ATOM 409 CB LYS A 27 86.906 -13.041 -3.924 1.00 0.00 C ATOM 410 CG LYS A 27 86.065 -14.315 -4.012 1.00 0.00 C ATOM 411 CD LYS A 27 85.568 -14.499 -5.447 1.00 0.00 C ATOM 412 CE LYS A 27 84.485 -15.580 -5.478 1.00 0.00 C ATOM 413 NZ LYS A 27 84.875 -16.700 -4.576 1.00 0.00 N1+ ATOM 0 H LYS A 27 86.011 -11.479 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 27 87.793 -13.841 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 27 86.303 -12.175 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 27 87.733 -13.090 -4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 27 86.659 -15.177 -3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 27 85.219 -14.253 -3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 27 85.169 -13.559 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 27 86.397 -14.781 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 27 83.529 -15.161 -5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 27 84.352 -15.948 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 84.334 -17.552 -4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 85.892 -16.892 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 84.671 -16.439 -3.590 1.00 0.00 H new ATOM 427 N THR A 28 89.825 -12.419 -2.365 1.00 0.00 N ATOM 428 CA THR A 28 91.017 -11.577 -2.358 1.00 0.00 C ATOM 429 C THR A 28 90.745 -10.280 -1.603 1.00 0.00 C ATOM 430 O THR A 28 91.362 -9.249 -1.867 1.00 0.00 O ATOM 431 CB THR A 28 91.442 -11.265 -3.797 1.00 0.00 C ATOM 432 OG1 THR A 28 91.492 -12.473 -4.543 1.00 0.00 O ATOM 433 CG2 THR A 28 92.824 -10.601 -3.810 1.00 0.00 C ATOM 0 H THR A 28 90.008 -13.416 -2.254 1.00 0.00 H new ATOM 0 HA THR A 28 91.822 -12.112 -1.855 1.00 0.00 H new ATOM 0 HB THR A 28 90.718 -10.583 -4.242 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.762 -12.277 -5.465 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.114 -10.385 -4.838 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.787 -9.672 -3.240 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.555 -11.273 -3.361 1.00 0.00 H new ATOM 441 N GLY A 29 89.811 -10.345 -0.662 1.00 0.00 N ATOM 442 CA GLY A 29 89.450 -9.179 0.134 1.00 0.00 C ATOM 443 C GLY A 29 88.118 -9.406 0.845 1.00 0.00 C ATOM 444 O GLY A 29 87.309 -10.227 0.412 1.00 0.00 O ATOM 0 H GLY A 29 89.291 -11.192 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.230 -8.977 0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.381 -8.301 -0.508 1.00 0.00 H new ATOM 448 N PRO A 30 87.879 -8.702 1.921 1.00 0.00 N ATOM 449 CA PRO A 30 86.614 -8.836 2.705 1.00 0.00 C ATOM 450 C PRO A 30 85.408 -8.270 1.960 1.00 0.00 C ATOM 451 O PRO A 30 85.546 -7.669 0.894 1.00 0.00 O ATOM 452 CB PRO A 30 86.895 -8.036 3.982 1.00 0.00 C ATOM 453 CG PRO A 30 87.938 -7.039 3.598 1.00 0.00 C ATOM 454 CD PRO A 30 88.783 -7.699 2.508 1.00 0.00 C ATOM 0 HA PRO A 30 86.360 -9.879 2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.993 -7.543 4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.247 -8.685 4.784 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.481 -6.120 3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.553 -6.769 4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 30 89.113 -6.974 1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.679 -8.162 2.922 1.00 0.00 H new ATOM 462 N ASN A 31 84.225 -8.463 2.535 1.00 0.00 N ATOM 463 CA ASN A 31 82.994 -7.965 1.931 1.00 0.00 C ATOM 464 C ASN A 31 82.651 -6.596 2.506 1.00 0.00 C ATOM 465 O ASN A 31 83.207 -6.191 3.525 1.00 0.00 O ATOM 466 CB ASN A 31 81.848 -8.941 2.211 1.00 0.00 C ATOM 467 CG ASN A 31 81.410 -8.833 3.669 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.665 -7.922 4.028 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.830 -9.715 4.534 1.00 0.00 N ATOM 0 H ASN A 31 84.093 -8.959 3.416 1.00 0.00 H new ATOM 0 HA ASN A 31 83.137 -7.876 0.854 1.00 0.00 H new ATOM 0 HB2 ASN A 31 81.006 -8.724 1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.167 -9.960 1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.541 -9.650 5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.448 -10.469 4.234 1.00 0.00 H new ATOM 476 N LEU A 32 81.728 -5.890 1.858 1.00 0.00 N ATOM 477 CA LEU A 32 81.316 -4.567 2.332 1.00 0.00 C ATOM 478 C LEU A 32 79.837 -4.578 2.715 1.00 0.00 C ATOM 479 O LEU A 32 79.126 -3.594 2.507 1.00 0.00 O ATOM 480 CB LEU A 32 81.544 -3.497 1.252 1.00 0.00 C ATOM 481 CG LEU A 32 82.963 -3.592 0.666 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.236 -2.358 -0.209 1.00 0.00 C ATOM 483 CD2 LEU A 32 84.005 -3.649 1.791 1.00 0.00 C ATOM 0 H LEU A 32 81.254 -6.205 1.012 1.00 0.00 H new ATOM 0 HA LEU A 32 81.922 -4.325 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.810 -3.618 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.390 -2.506 1.680 1.00 0.00 H new ATOM 0 HG LEU A 32 83.035 -4.500 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.241 -2.423 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.509 -2.319 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.152 -1.456 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.004 -3.716 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.933 -2.748 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.820 -4.524 2.414 1.00 0.00 H new ATOM 495 N HIS A 33 79.378 -5.694 3.277 1.00 0.00 N ATOM 496 CA HIS A 33 77.979 -5.814 3.684 1.00 0.00 C ATOM 497 C HIS A 33 77.666 -4.834 4.811 1.00 0.00 C ATOM 498 O HIS A 33 78.497 -4.609 5.691 1.00 0.00 O ATOM 499 CB HIS A 33 77.687 -7.240 4.158 1.00 0.00 C ATOM 500 CG HIS A 33 78.091 -8.223 3.093 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.692 -9.435 3.397 1.00 0.00 N ATOM 502 CD2 HIS A 33 77.979 -8.194 1.725 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.916 -10.080 2.239 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.500 -9.368 1.188 1.00 0.00 N ATOM 0 H HIS A 33 79.947 -6.521 3.460 1.00 0.00 H new ATOM 0 HA HIS A 33 77.352 -5.582 2.823 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.231 -7.445 5.080 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.626 -7.348 4.382 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.552 -7.384 1.153 1.00 0.00 H new ATOM 0 HE1 HIS A 33 79.376 -11.055 2.167 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.553 -9.629 0.203 1.00 0.00 H new ATOM 513 N GLY A 34 76.466 -4.252 4.781 1.00 0.00 N ATOM 514 CA GLY A 34 76.063 -3.294 5.812 1.00 0.00 C ATOM 515 C GLY A 34 77.253 -2.448 6.247 1.00 0.00 C ATOM 516 O GLY A 34 77.329 -1.992 7.388 1.00 0.00 O ATOM 0 H GLY A 34 75.763 -4.424 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.272 -2.650 5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.654 -3.826 6.671 1.00 0.00 H new ATOM 520 N LEU A 35 78.183 -2.257 5.321 1.00 0.00 N ATOM 521 CA LEU A 35 79.387 -1.483 5.585 1.00 0.00 C ATOM 522 C LEU A 35 79.056 -0.176 6.307 1.00 0.00 C ATOM 523 O LEU A 35 79.566 0.098 7.390 1.00 0.00 O ATOM 524 CB LEU A 35 80.076 -1.181 4.246 1.00 0.00 C ATOM 525 CG LEU A 35 81.282 -0.250 4.452 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.535 -1.081 4.733 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.507 0.585 3.188 1.00 0.00 C ATOM 0 H LEU A 35 78.125 -2.631 4.374 1.00 0.00 H new ATOM 0 HA LEU A 35 80.048 -2.060 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.404 -2.111 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.365 -0.717 3.562 1.00 0.00 H new ATOM 0 HG LEU A 35 81.084 0.408 5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.387 -0.417 4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.382 -1.677 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.730 -1.742 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.362 1.245 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.700 -0.077 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.619 1.183 2.984 1.00 0.00 H new ATOM 539 N PHE A 36 78.212 0.631 5.689 1.00 0.00 N ATOM 540 CA PHE A 36 77.836 1.917 6.266 1.00 0.00 C ATOM 541 C PHE A 36 77.285 1.760 7.683 1.00 0.00 C ATOM 542 O PHE A 36 76.083 1.563 7.870 1.00 0.00 O ATOM 543 CB PHE A 36 76.787 2.599 5.378 1.00 0.00 C ATOM 544 CG PHE A 36 77.243 2.561 3.936 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.060 1.401 3.171 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.856 3.684 3.362 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.489 1.363 1.840 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.286 3.645 2.032 1.00 0.00 C ATOM 549 CZ PHE A 36 78.104 2.483 1.271 1.00 0.00 C ATOM 0 H PHE A 36 77.774 0.423 4.792 1.00 0.00 H new ATOM 0 HA PHE A 36 78.734 2.533 6.320 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.826 2.095 5.480 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.641 3.631 5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.587 0.535 3.610 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.996 4.580 3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.345 0.469 1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.758 4.511 1.592 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.439 2.452 0.245 1.00 0.00 H new ATOM 559 N GLY A 37 78.163 1.876 8.686 1.00 0.00 N ATOM 560 CA GLY A 37 77.729 1.769 10.081 1.00 0.00 C ATOM 561 C GLY A 37 78.698 0.961 10.949 1.00 0.00 C ATOM 562 O GLY A 37 78.744 1.149 12.164 1.00 0.00 O ATOM 0 H GLY A 37 79.162 2.041 8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.622 2.769 10.500 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.744 1.303 10.115 1.00 0.00 H new ATOM 566 N ARG A 38 79.451 0.052 10.338 1.00 0.00 N ATOM 567 CA ARG A 38 80.388 -0.781 11.105 1.00 0.00 C ATOM 568 C ARG A 38 81.767 -0.124 11.214 1.00 0.00 C ATOM 569 O ARG A 38 82.214 0.567 10.301 1.00 0.00 O ATOM 570 CB ARG A 38 80.530 -2.156 10.439 1.00 0.00 C ATOM 571 CG ARG A 38 79.614 -3.183 11.122 1.00 0.00 C ATOM 572 CD ARG A 38 79.965 -4.596 10.634 1.00 0.00 C ATOM 573 NE ARG A 38 79.103 -4.974 9.517 1.00 0.00 N ATOM 574 CZ ARG A 38 79.539 -5.753 8.526 1.00 0.00 C ATOM 575 NH1 ARG A 38 80.767 -6.199 8.524 1.00 0.00 N ATOM 576 NH2 ARG A 38 78.732 -6.074 7.553 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.437 -0.129 9.334 1.00 0.00 H new ATOM 0 HA ARG A 38 79.984 -0.894 12.111 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.278 -2.082 9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.566 -2.489 10.497 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.728 -3.123 12.204 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.571 -2.959 10.898 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.010 -4.633 10.325 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.849 -5.309 11.450 1.00 0.00 H new ATOM 0 HE ARG A 38 78.142 -4.633 9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.401 -5.952 9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.092 -6.794 7.762 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.772 -5.730 7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.061 -6.669 6.793 1.00 0.00 H new ATOM 590 N LYS A 39 82.435 -0.365 12.344 1.00 0.00 N ATOM 591 CA LYS A 39 83.768 0.190 12.583 1.00 0.00 C ATOM 592 C LYS A 39 84.790 -0.419 11.622 1.00 0.00 C ATOM 593 O LYS A 39 84.488 -1.373 10.906 1.00 0.00 O ATOM 594 CB LYS A 39 84.193 -0.086 14.030 1.00 0.00 C ATOM 595 CG LYS A 39 83.614 0.990 14.962 1.00 0.00 C ATOM 596 CD LYS A 39 84.600 2.156 15.087 1.00 0.00 C ATOM 597 CE LYS A 39 83.988 3.249 15.964 1.00 0.00 C ATOM 598 NZ LYS A 39 84.749 4.517 15.783 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.075 -0.940 13.106 1.00 0.00 H new ATOM 0 HA LYS A 39 83.729 1.266 12.412 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.845 -1.072 14.338 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.281 -0.095 14.103 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.662 1.348 14.571 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.415 0.563 15.945 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.537 1.809 15.521 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.835 2.555 14.100 1.00 0.00 H new ATOM 0 HE2 LYS A 39 82.942 3.400 15.698 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.011 2.945 17.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.332 5.260 16.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 85.741 4.369 16.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 84.705 4.809 14.786 1.00 0.00 H new ATOM 612 N THR A 40 85.999 0.145 11.608 1.00 0.00 N ATOM 613 CA THR A 40 87.056 -0.346 10.726 1.00 0.00 C ATOM 614 C THR A 40 87.534 -1.732 11.145 1.00 0.00 C ATOM 615 O THR A 40 87.582 -2.054 12.331 1.00 0.00 O ATOM 616 CB THR A 40 88.239 0.626 10.730 1.00 0.00 C ATOM 617 OG1 THR A 40 88.572 0.964 12.068 1.00 0.00 O ATOM 618 CG2 THR A 40 87.863 1.893 9.963 1.00 0.00 C ATOM 0 H THR A 40 86.268 0.936 12.193 1.00 0.00 H new ATOM 0 HA THR A 40 86.642 -0.417 9.720 1.00 0.00 H new ATOM 0 HB THR A 40 89.096 0.153 10.251 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.157 0.273 12.444 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.706 2.584 9.967 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.610 1.634 8.935 1.00 0.00 H new ATOM 0 HG23 THR A 40 87.004 2.366 10.440 1.00 0.00 H new ATOM 626 N GLY A 41 87.894 -2.544 10.153 1.00 0.00 N ATOM 627 CA GLY A 41 88.377 -3.894 10.411 1.00 0.00 C ATOM 628 C GLY A 41 87.508 -4.603 11.441 1.00 0.00 C ATOM 629 O GLY A 41 88.013 -5.152 12.420 1.00 0.00 O ATOM 0 H GLY A 41 87.860 -2.289 9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.383 -4.464 9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.407 -3.853 10.767 1.00 0.00 H new ATOM 633 N GLN A 42 86.199 -4.582 11.218 1.00 0.00 N ATOM 634 CA GLN A 42 85.264 -5.222 12.141 1.00 0.00 C ATOM 635 C GLN A 42 84.590 -6.426 11.487 1.00 0.00 C ATOM 636 O GLN A 42 84.052 -7.294 12.174 1.00 0.00 O ATOM 637 CB GLN A 42 84.200 -4.215 12.586 1.00 0.00 C ATOM 638 CG GLN A 42 83.599 -4.659 13.922 1.00 0.00 C ATOM 639 CD GLN A 42 82.293 -3.916 14.181 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.291 -2.867 14.826 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.177 -4.399 13.711 1.00 0.00 N ATOM 0 H GLN A 42 85.762 -4.133 10.413 1.00 0.00 H new ATOM 0 HA GLN A 42 85.824 -5.569 13.009 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.642 -3.224 12.686 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.418 -4.140 11.831 1.00 0.00 H new ATOM 0 HG2 GLN A 42 83.419 -5.734 13.909 1.00 0.00 H new ATOM 0 HG3 GLN A 42 84.304 -4.464 14.730 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.182 -5.268 13.177 1.00 0.00 H new ATOM 0 HE22 GLN A 42 80.299 -3.908 13.877 1.00 0.00 H new ATOM 650 N ALA A 43 84.623 -6.475 10.159 1.00 0.00 N ATOM 651 CA ALA A 43 84.010 -7.582 9.437 1.00 0.00 C ATOM 652 C ALA A 43 84.750 -8.890 9.742 1.00 0.00 C ATOM 653 O ALA A 43 85.958 -8.984 9.525 1.00 0.00 O ATOM 654 CB ALA A 43 84.051 -7.300 7.929 1.00 0.00 C ATOM 0 H ALA A 43 85.062 -5.770 9.568 1.00 0.00 H new ATOM 0 HA ALA A 43 82.973 -7.683 9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 43 83.592 -8.129 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 43 83.504 -6.382 7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 43 85.087 -7.188 7.608 1.00 0.00 H new ATOM 660 N PRO A 44 84.065 -9.893 10.237 1.00 0.00 N ATOM 661 CA PRO A 44 84.696 -11.204 10.566 1.00 0.00 C ATOM 662 C PRO A 44 84.928 -12.057 9.321 1.00 0.00 C ATOM 663 O PRO A 44 83.979 -12.451 8.642 1.00 0.00 O ATOM 664 CB PRO A 44 83.678 -11.860 11.498 1.00 0.00 C ATOM 665 CG PRO A 44 82.357 -11.315 11.063 1.00 0.00 C ATOM 666 CD PRO A 44 82.621 -9.900 10.539 1.00 0.00 C ATOM 0 HA PRO A 44 85.683 -11.089 11.015 1.00 0.00 H new ATOM 0 HB2 PRO A 44 83.706 -12.946 11.412 1.00 0.00 H new ATOM 0 HB3 PRO A 44 83.882 -11.617 12.541 1.00 0.00 H new ATOM 0 HG2 PRO A 44 81.916 -11.940 10.286 1.00 0.00 H new ATOM 0 HG3 PRO A 44 81.653 -11.296 11.895 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.027 -9.686 9.651 1.00 0.00 H new ATOM 0 HD3 PRO A 44 82.365 -9.145 11.283 1.00 0.00 H new ATOM 674 N GLY A 45 86.193 -12.341 9.027 1.00 0.00 N ATOM 675 CA GLY A 45 86.529 -13.152 7.862 1.00 0.00 C ATOM 676 C GLY A 45 87.977 -12.929 7.433 1.00 0.00 C ATOM 677 O GLY A 45 88.862 -13.717 7.766 1.00 0.00 O ATOM 0 H GLY A 45 86.995 -12.025 9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 45 86.373 -14.206 8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 45 85.860 -12.904 7.038 1.00 0.00 H new ATOM 681 N PHE A 46 88.208 -11.853 6.689 1.00 0.00 N ATOM 682 CA PHE A 46 89.551 -11.537 6.214 1.00 0.00 C ATOM 683 C PHE A 46 90.436 -11.065 7.364 1.00 0.00 C ATOM 684 O PHE A 46 89.951 -10.489 8.338 1.00 0.00 O ATOM 685 CB PHE A 46 89.477 -10.445 5.145 1.00 0.00 C ATOM 686 CG PHE A 46 90.791 -10.373 4.403 1.00 0.00 C ATOM 687 CD1 PHE A 46 91.827 -9.571 4.893 1.00 0.00 C ATOM 688 CD2 PHE A 46 90.970 -11.108 3.224 1.00 0.00 C ATOM 689 CE1 PHE A 46 93.044 -9.501 4.205 1.00 0.00 C ATOM 690 CE2 PHE A 46 92.187 -11.038 2.536 1.00 0.00 C ATOM 691 CZ PHE A 46 93.224 -10.235 3.026 1.00 0.00 C ATOM 0 H PHE A 46 87.489 -11.189 6.403 1.00 0.00 H new ATOM 0 HA PHE A 46 89.987 -12.441 5.788 1.00 0.00 H new ATOM 0 HB2 PHE A 46 88.666 -10.658 4.449 1.00 0.00 H new ATOM 0 HB3 PHE A 46 89.256 -9.483 5.608 1.00 0.00 H new ATOM 0 HD1 PHE A 46 91.688 -9.006 5.803 1.00 0.00 H new ATOM 0 HD2 PHE A 46 90.170 -11.728 2.846 1.00 0.00 H new ATOM 0 HE1 PHE A 46 93.844 -8.881 4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 46 92.326 -11.604 1.627 1.00 0.00 H new ATOM 0 HZ PHE A 46 94.163 -10.182 2.495 1.00 0.00 H new ATOM 701 N THR A 47 91.737 -11.310 7.240 1.00 0.00 N ATOM 702 CA THR A 47 92.684 -10.901 8.272 1.00 0.00 C ATOM 703 C THR A 47 92.942 -9.400 8.191 1.00 0.00 C ATOM 704 O THR A 47 93.921 -8.959 7.588 1.00 0.00 O ATOM 705 CB THR A 47 94.002 -11.660 8.104 1.00 0.00 C ATOM 706 OG1 THR A 47 93.733 -13.049 7.976 1.00 0.00 O ATOM 707 CG2 THR A 47 94.892 -11.420 9.325 1.00 0.00 C ATOM 0 H THR A 47 92.157 -11.786 6.442 1.00 0.00 H new ATOM 0 HA THR A 47 92.256 -11.134 9.247 1.00 0.00 H new ATOM 0 HB THR A 47 94.515 -11.305 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 47 94.576 -13.537 7.867 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.830 -11.961 9.203 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.098 -10.354 9.421 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.383 -11.773 10.222 1.00 0.00 H new ATOM 715 N TYR A 48 92.054 -8.620 8.798 1.00 0.00 N ATOM 716 CA TYR A 48 92.188 -7.168 8.786 1.00 0.00 C ATOM 717 C TYR A 48 93.516 -6.740 9.402 1.00 0.00 C ATOM 718 O TYR A 48 94.075 -7.436 10.249 1.00 0.00 O ATOM 719 CB TYR A 48 91.028 -6.534 9.563 1.00 0.00 C ATOM 720 CG TYR A 48 89.866 -6.297 8.631 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.966 -5.317 7.638 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.692 -7.047 8.760 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.893 -5.087 6.774 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.617 -6.815 7.895 1.00 0.00 C ATOM 725 CZ TYR A 48 87.719 -5.835 6.902 1.00 0.00 C ATOM 726 OH TYR A 48 86.658 -5.604 6.053 1.00 0.00 O ATOM 0 H TYR A 48 91.238 -8.967 9.302 1.00 0.00 H new ATOM 0 HA TYR A 48 92.163 -6.828 7.751 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.724 -7.188 10.381 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.347 -5.592 10.009 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.873 -4.738 7.539 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.616 -7.804 9.526 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.970 -4.331 6.007 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.709 -7.392 7.994 1.00 0.00 H new ATOM 0 HH TYR A 48 85.873 -5.337 6.575 1.00 0.00 H new ATOM 736 N THR A 49 94.013 -5.588 8.965 1.00 0.00 N ATOM 737 CA THR A 49 95.276 -5.066 9.475 1.00 0.00 C ATOM 738 C THR A 49 95.065 -4.370 10.817 1.00 0.00 C ATOM 739 O THR A 49 93.942 -4.013 11.170 1.00 0.00 O ATOM 740 CB THR A 49 95.873 -4.074 8.473 1.00 0.00 C ATOM 741 OG1 THR A 49 94.949 -3.020 8.247 1.00 0.00 O ATOM 742 CG2 THR A 49 96.164 -4.792 7.152 1.00 0.00 C ATOM 0 H THR A 49 93.564 -5.000 8.263 1.00 0.00 H new ATOM 0 HA THR A 49 95.963 -5.901 9.615 1.00 0.00 H new ATOM 0 HB THR A 49 96.801 -3.666 8.874 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.431 -2.168 8.193 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.589 -4.085 6.439 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.873 -5.602 7.326 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.238 -5.201 6.749 1.00 0.00 H new ATOM 750 N ASP A 50 96.152 -4.180 11.558 1.00 0.00 N ATOM 751 CA ASP A 50 96.072 -3.523 12.858 1.00 0.00 C ATOM 752 C ASP A 50 95.431 -2.148 12.723 1.00 0.00 C ATOM 753 O ASP A 50 94.532 -1.791 13.486 1.00 0.00 O ATOM 754 CB ASP A 50 97.473 -3.377 13.455 1.00 0.00 C ATOM 755 CG ASP A 50 98.434 -2.826 12.407 1.00 0.00 C ATOM 756 OD1 ASP A 50 98.688 -3.524 11.440 1.00 0.00 O1- ATOM 757 OD2 ASP A 50 98.902 -1.715 12.588 1.00 0.00 O ATOM 0 H ASP A 50 97.091 -4.469 11.284 1.00 0.00 H new ATOM 0 HA ASP A 50 95.457 -4.136 13.517 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.442 -2.711 14.317 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.827 -4.344 13.812 1.00 0.00 H new ATOM 762 N ALA A 51 95.900 -1.382 11.747 1.00 0.00 N ATOM 763 CA ALA A 51 95.373 -0.044 11.514 1.00 0.00 C ATOM 764 C ALA A 51 93.857 -0.082 11.351 1.00 0.00 C ATOM 765 O ALA A 51 93.152 0.804 11.830 1.00 0.00 O ATOM 766 CB ALA A 51 96.008 0.546 10.257 1.00 0.00 C ATOM 0 H ALA A 51 96.642 -1.663 11.106 1.00 0.00 H new ATOM 0 HA ALA A 51 95.615 0.579 12.375 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.612 1.547 10.085 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.089 0.601 10.387 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.777 -0.088 9.401 1.00 0.00 H new ATOM 772 N ASN A 52 93.363 -1.109 10.671 1.00 0.00 N ATOM 773 CA ASN A 52 91.928 -1.250 10.450 1.00 0.00 C ATOM 774 C ASN A 52 91.254 -1.861 11.678 1.00 0.00 C ATOM 775 O ASN A 52 90.075 -1.619 11.937 1.00 0.00 O ATOM 776 CB ASN A 52 91.683 -2.138 9.219 1.00 0.00 C ATOM 777 CG ASN A 52 91.230 -1.292 8.031 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.562 -0.110 7.947 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.491 -1.834 7.104 1.00 0.00 N ATOM 0 H ASN A 52 93.930 -1.853 10.265 1.00 0.00 H new ATOM 0 HA ASN A 52 91.498 -0.263 10.277 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.596 -2.675 8.963 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.926 -2.888 9.449 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.186 -1.278 6.305 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.218 -2.814 7.177 1.00 0.00 H new ATOM 786 N LYS A 53 92.013 -2.645 12.434 1.00 0.00 N ATOM 787 CA LYS A 53 91.490 -3.280 13.629 1.00 0.00 C ATOM 788 C LYS A 53 91.616 -2.326 14.807 1.00 0.00 C ATOM 789 O LYS A 53 91.069 -2.568 15.882 1.00 0.00 O ATOM 790 CB LYS A 53 92.268 -4.577 13.893 1.00 0.00 C ATOM 791 CG LYS A 53 92.240 -4.921 15.383 1.00 0.00 C ATOM 792 CD LYS A 53 92.815 -6.322 15.599 1.00 0.00 C ATOM 793 CE LYS A 53 92.419 -6.830 16.987 1.00 0.00 C ATOM 794 NZ LYS A 53 92.852 -5.846 18.018 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.992 -2.854 12.238 1.00 0.00 H new ATOM 0 HA LYS A 53 90.436 -3.524 13.493 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.833 -5.393 13.316 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.299 -4.465 13.558 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.819 -4.189 15.946 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.217 -4.875 15.758 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.443 -7.001 14.832 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.901 -6.299 15.505 1.00 0.00 H new ATOM 0 HE2 LYS A 53 91.340 -6.976 17.038 1.00 0.00 H new ATOM 0 HE3 LYS A 53 92.881 -7.799 17.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 92.851 -6.300 18.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.811 -5.511 17.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.196 -5.039 18.025 1.00 0.00 H new ATOM 808 N ASN A 54 92.343 -1.238 14.589 1.00 0.00 N ATOM 809 CA ASN A 54 92.541 -0.242 15.630 1.00 0.00 C ATOM 810 C ASN A 54 91.222 0.442 15.962 1.00 0.00 C ATOM 811 O ASN A 54 91.072 1.054 17.018 1.00 0.00 O ATOM 812 CB ASN A 54 93.557 0.798 15.155 1.00 0.00 C ATOM 813 CG ASN A 54 92.865 1.921 14.385 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.233 3.087 14.524 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.880 1.639 13.578 1.00 0.00 N ATOM 0 H ASN A 54 92.803 -1.024 13.704 1.00 0.00 H new ATOM 0 HA ASN A 54 92.916 -0.735 16.527 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.088 1.212 16.012 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.302 0.321 14.519 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.414 2.385 13.062 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.576 0.672 13.463 1.00 0.00 H new ATOM 822 N LYS A 55 90.276 0.330 15.044 1.00 0.00 N ATOM 823 CA LYS A 55 88.963 0.940 15.235 1.00 0.00 C ATOM 824 C LYS A 55 89.102 2.444 15.460 1.00 0.00 C ATOM 825 O LYS A 55 88.776 2.952 16.532 1.00 0.00 O ATOM 826 CB LYS A 55 88.255 0.305 16.437 1.00 0.00 C ATOM 827 CG LYS A 55 88.579 -1.191 16.499 1.00 0.00 C ATOM 828 CD LYS A 55 87.465 -1.931 17.245 1.00 0.00 C ATOM 829 CE LYS A 55 87.766 -3.431 17.257 1.00 0.00 C ATOM 830 NZ LYS A 55 89.213 -3.646 17.545 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.388 -0.173 14.164 1.00 0.00 H new ATOM 0 HA LYS A 55 88.370 0.768 14.336 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.573 0.794 17.358 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.178 0.450 16.355 1.00 0.00 H new ATOM 0 HG2 LYS A 55 88.683 -1.592 15.491 1.00 0.00 H new ATOM 0 HG3 LYS A 55 89.533 -1.346 17.004 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.386 -1.557 18.266 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.505 -1.746 16.763 1.00 0.00 H new ATOM 0 HE2 LYS A 55 87.156 -3.929 18.011 1.00 0.00 H new ATOM 0 HE3 LYS A 55 87.506 -3.872 16.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 89.371 -4.641 17.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 89.773 -3.415 16.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 89.505 -3.033 18.333 1.00 0.00 H new ATOM 844 N GLY A 56 89.596 3.149 14.448 1.00 0.00 N ATOM 845 CA GLY A 56 89.779 4.593 14.556 1.00 0.00 C ATOM 846 C GLY A 56 88.513 5.343 14.161 1.00 0.00 C ATOM 847 O GLY A 56 88.109 6.294 14.830 1.00 0.00 O ATOM 0 H GLY A 56 89.875 2.750 13.552 1.00 0.00 H new ATOM 0 HA2 GLY A 56 90.053 4.851 15.579 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.604 4.906 13.916 1.00 0.00 H new ATOM 851 N ILE A 57 87.887 4.910 13.071 1.00 0.00 N ATOM 852 CA ILE A 57 86.664 5.550 12.597 1.00 0.00 C ATOM 853 C ILE A 57 85.665 4.499 12.132 1.00 0.00 C ATOM 854 O ILE A 57 85.933 3.300 12.211 1.00 0.00 O ATOM 855 CB ILE A 57 86.984 6.511 11.448 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.490 5.718 10.228 1.00 0.00 C ATOM 857 CG2 ILE A 57 88.068 7.492 11.901 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.313 5.276 9.346 1.00 0.00 C ATOM 0 H ILE A 57 88.203 4.124 12.503 1.00 0.00 H new ATOM 0 HA ILE A 57 86.224 6.114 13.419 1.00 0.00 H new ATOM 0 HB ILE A 57 86.082 7.057 11.171 1.00 0.00 H new ATOM 0 HG12 ILE A 57 88.176 6.333 9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 57 88.050 4.844 10.562 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.300 8.179 11.087 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.711 8.057 12.762 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.966 6.940 12.177 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.690 4.717 8.489 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.642 4.642 9.926 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.771 6.154 8.996 1.00 0.00 H new ATOM 870 N THR A 58 84.508 4.952 11.655 1.00 0.00 N ATOM 871 CA THR A 58 83.470 4.035 11.190 1.00 0.00 C ATOM 872 C THR A 58 83.112 4.301 9.733 1.00 0.00 C ATOM 873 O THR A 58 83.031 5.452 9.303 1.00 0.00 O ATOM 874 CB THR A 58 82.218 4.183 12.060 1.00 0.00 C ATOM 875 OG1 THR A 58 82.486 3.671 13.358 1.00 0.00 O ATOM 876 CG2 THR A 58 81.051 3.407 11.436 1.00 0.00 C ATOM 0 H THR A 58 84.267 5.940 11.580 1.00 0.00 H new ATOM 0 HA THR A 58 83.856 3.019 11.269 1.00 0.00 H new ATOM 0 HB THR A 58 81.949 5.237 12.127 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.688 3.766 13.918 1.00 0.00 H new ATOM 0 HG21 THR A 58 80.165 3.518 12.061 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.844 3.799 10.440 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.314 2.352 11.363 1.00 0.00 H new ATOM 884 N TRP A 59 82.885 3.226 8.983 1.00 0.00 N ATOM 885 CA TRP A 59 82.521 3.357 7.581 1.00 0.00 C ATOM 886 C TRP A 59 81.191 4.093 7.457 1.00 0.00 C ATOM 887 O TRP A 59 80.256 3.838 8.215 1.00 0.00 O ATOM 888 CB TRP A 59 82.393 1.981 6.922 1.00 0.00 C ATOM 889 CG TRP A 59 83.511 1.082 7.354 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.813 1.441 7.438 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.450 -0.322 7.752 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.552 0.346 7.856 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.754 -0.759 8.070 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.399 -1.248 7.869 1.00 0.00 C ATOM 895 CZ2 TRP A 59 85.006 -2.067 8.490 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.651 -2.565 8.288 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.951 -2.972 8.599 1.00 0.00 C ATOM 0 H TRP A 59 82.946 2.265 9.321 1.00 0.00 H new ATOM 0 HA TRP A 59 83.306 3.921 7.077 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.436 1.533 7.187 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.405 2.089 5.837 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.211 2.420 7.216 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.563 0.356 7.989 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.389 -0.944 7.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 86.013 -2.376 8.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.835 -3.267 8.370 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.138 -3.985 8.923 1.00 0.00 H new ATOM 908 N LYS A 60 81.115 5.003 6.496 1.00 0.00 N ATOM 909 CA LYS A 60 79.897 5.771 6.274 1.00 0.00 C ATOM 910 C LYS A 60 79.854 6.254 4.829 1.00 0.00 C ATOM 911 O LYS A 60 80.582 5.742 3.983 1.00 0.00 O ATOM 912 CB LYS A 60 79.851 6.967 7.234 1.00 0.00 C ATOM 913 CG LYS A 60 79.649 6.465 8.668 1.00 0.00 C ATOM 914 CD LYS A 60 79.236 7.630 9.574 1.00 0.00 C ATOM 915 CE LYS A 60 80.447 8.527 9.840 1.00 0.00 C ATOM 916 NZ LYS A 60 80.096 9.541 10.875 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.880 5.227 5.859 1.00 0.00 H new ATOM 0 HA LYS A 60 79.031 5.137 6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.777 7.538 7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 60 79.040 7.639 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.884 5.689 8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.570 6.014 9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.440 8.206 9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.839 7.249 10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.292 7.926 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.755 9.023 8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.919 10.151 11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.302 10.122 10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.822 9.059 11.755 1.00 0.00 H new ATOM 930 N GLU A 61 79.001 7.231 4.544 1.00 0.00 N ATOM 931 CA GLU A 61 78.894 7.747 3.186 1.00 0.00 C ATOM 932 C GLU A 61 80.076 8.659 2.862 1.00 0.00 C ATOM 933 O GLU A 61 80.824 8.408 1.916 1.00 0.00 O ATOM 934 CB GLU A 61 77.585 8.526 3.027 1.00 0.00 C ATOM 935 CG GLU A 61 77.384 8.894 1.555 1.00 0.00 C ATOM 936 CD GLU A 61 76.005 9.513 1.356 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.037 8.773 1.377 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 75.938 10.720 1.186 1.00 0.00 O ATOM 0 H GLU A 61 78.383 7.675 5.223 1.00 0.00 H new ATOM 0 HA GLU A 61 78.902 6.904 2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.747 7.925 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.610 9.428 3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.156 9.596 1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.486 8.005 0.932 1.00 0.00 H new ATOM 945 N GLU A 62 80.241 9.714 3.653 1.00 0.00 N ATOM 946 CA GLU A 62 81.336 10.653 3.434 1.00 0.00 C ATOM 947 C GLU A 62 82.677 10.013 3.774 1.00 0.00 C ATOM 948 O GLU A 62 83.661 10.199 3.059 1.00 0.00 O ATOM 949 CB GLU A 62 81.132 11.905 4.288 1.00 0.00 C ATOM 950 CG GLU A 62 79.947 12.707 3.745 1.00 0.00 C ATOM 951 CD GLU A 62 80.349 13.425 2.461 1.00 0.00 C ATOM 952 OE1 GLU A 62 81.520 13.380 2.121 1.00 0.00 O ATOM 953 OE2 GLU A 62 79.479 14.008 1.835 1.00 0.00 O1- ATOM 0 H GLU A 62 79.637 9.939 4.444 1.00 0.00 H new ATOM 0 HA GLU A 62 81.341 10.930 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 62 80.950 11.625 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 62 82.034 12.517 4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.105 12.042 3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.616 13.432 4.489 1.00 0.00 H new ATOM 960 N THR A 63 82.712 9.256 4.864 1.00 0.00 N ATOM 961 CA THR A 63 83.944 8.596 5.270 1.00 0.00 C ATOM 962 C THR A 63 84.481 7.760 4.122 1.00 0.00 C ATOM 963 O THR A 63 85.689 7.685 3.901 1.00 0.00 O ATOM 964 CB THR A 63 83.692 7.693 6.477 1.00 0.00 C ATOM 965 OG1 THR A 63 82.740 6.698 6.130 1.00 0.00 O ATOM 966 CG2 THR A 63 83.161 8.526 7.639 1.00 0.00 C ATOM 0 H THR A 63 81.913 9.086 5.474 1.00 0.00 H new ATOM 0 HA THR A 63 84.673 9.359 5.542 1.00 0.00 H new ATOM 0 HB THR A 63 84.626 7.216 6.775 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.183 5.981 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.982 7.880 8.498 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.893 9.288 7.905 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.227 9.006 7.346 1.00 0.00 H new ATOM 974 N LEU A 64 83.566 7.135 3.390 1.00 0.00 N ATOM 975 CA LEU A 64 83.953 6.307 2.260 1.00 0.00 C ATOM 976 C LEU A 64 84.550 7.173 1.156 1.00 0.00 C ATOM 977 O LEU A 64 85.497 6.767 0.487 1.00 0.00 O ATOM 978 CB LEU A 64 82.739 5.546 1.716 1.00 0.00 C ATOM 979 CG LEU A 64 82.824 4.067 2.109 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.479 3.387 1.819 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.941 3.381 1.303 1.00 0.00 C ATOM 0 H LEU A 64 82.561 7.186 3.558 1.00 0.00 H new ATOM 0 HA LEU A 64 84.700 5.589 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.821 5.982 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.698 5.640 0.631 1.00 0.00 H new ATOM 0 HG LEU A 64 83.050 3.984 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.536 2.335 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.693 3.873 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.251 3.469 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 64 83.999 2.330 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.722 3.460 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.893 3.867 1.515 1.00 0.00 H new ATOM 993 N MET A 65 83.985 8.363 0.964 1.00 0.00 N ATOM 994 CA MET A 65 84.478 9.262 -0.078 1.00 0.00 C ATOM 995 C MET A 65 85.958 9.560 0.114 1.00 0.00 C ATOM 996 O MET A 65 86.770 9.313 -0.779 1.00 0.00 O ATOM 997 CB MET A 65 83.694 10.575 -0.059 1.00 0.00 C ATOM 998 CG MET A 65 82.221 10.290 -0.341 1.00 0.00 C ATOM 999 SD MET A 65 81.255 11.795 -0.065 1.00 0.00 S ATOM 1000 CE MET A 65 80.879 12.145 -1.797 1.00 0.00 C ATOM 0 H MET A 65 83.199 8.723 1.505 1.00 0.00 H new ATOM 0 HA MET A 65 84.340 8.766 -1.039 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.803 11.062 0.910 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.093 11.260 -0.807 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.096 9.947 -1.368 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.863 9.491 0.308 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.278 13.052 -1.863 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.808 12.285 -2.350 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.324 11.310 -2.225 1.00 0.00 H new ATOM 1010 N GLU A 66 86.309 10.086 1.280 1.00 0.00 N ATOM 1011 CA GLU A 66 87.698 10.406 1.569 1.00 0.00 C ATOM 1012 C GLU A 66 88.546 9.142 1.501 1.00 0.00 C ATOM 1013 O GLU A 66 89.724 9.184 1.156 1.00 0.00 O ATOM 1014 CB GLU A 66 87.810 11.032 2.960 1.00 0.00 C ATOM 1015 CG GLU A 66 86.903 12.262 3.037 1.00 0.00 C ATOM 1016 CD GLU A 66 87.193 13.045 4.313 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.242 13.665 4.378 1.00 0.00 O ATOM 1018 OE2 GLU A 66 86.362 13.015 5.206 1.00 0.00 O1- ATOM 0 H GLU A 66 85.656 10.298 2.035 1.00 0.00 H new ATOM 0 HA GLU A 66 88.060 11.119 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.524 10.307 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.843 11.315 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.064 12.898 2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 66 85.857 11.955 3.019 1.00 0.00 H new ATOM 1025 N TYR A 67 87.926 8.019 1.831 1.00 0.00 N ATOM 1026 CA TYR A 67 88.614 6.736 1.801 1.00 0.00 C ATOM 1027 C TYR A 67 88.713 6.222 0.366 1.00 0.00 C ATOM 1028 O TYR A 67 89.604 5.438 0.037 1.00 0.00 O ATOM 1029 CB TYR A 67 87.853 5.733 2.672 1.00 0.00 C ATOM 1030 CG TYR A 67 88.358 4.332 2.422 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.833 3.578 1.365 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.344 3.785 3.251 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.295 2.278 1.136 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.806 2.483 3.023 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.282 1.730 1.965 1.00 0.00 C ATOM 1036 OH TYR A 67 89.738 0.447 1.740 1.00 0.00 O ATOM 0 H TYR A 67 86.950 7.969 2.122 1.00 0.00 H new ATOM 0 HA TYR A 67 89.624 6.859 2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.976 5.989 3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.787 5.787 2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 67 87.071 4.001 0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.748 4.367 4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.891 1.697 0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.566 2.060 3.663 1.00 0.00 H new ATOM 0 HH TYR A 67 89.901 0.321 0.782 1.00 0.00 H new ATOM 1046 N LEU A 68 87.786 6.664 -0.479 1.00 0.00 N ATOM 1047 CA LEU A 68 87.765 6.235 -1.873 1.00 0.00 C ATOM 1048 C LEU A 68 88.822 6.977 -2.695 1.00 0.00 C ATOM 1049 O LEU A 68 89.274 6.478 -3.725 1.00 0.00 O ATOM 1050 CB LEU A 68 86.371 6.483 -2.478 1.00 0.00 C ATOM 1051 CG LEU A 68 85.441 5.287 -2.213 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.080 5.550 -2.851 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.015 4.012 -2.826 1.00 0.00 C ATOM 0 H LEU A 68 87.044 7.315 -0.224 1.00 0.00 H new ATOM 0 HA LEU A 68 87.992 5.169 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.939 7.387 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.460 6.650 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 68 85.345 5.162 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.420 4.703 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.644 6.451 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.202 5.684 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.342 3.178 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.123 4.143 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 68 86.990 3.804 -2.386 1.00 0.00 H new ATOM 1065 N GLU A 69 89.212 8.166 -2.241 1.00 0.00 N ATOM 1066 CA GLU A 69 90.216 8.950 -2.959 1.00 0.00 C ATOM 1067 C GLU A 69 91.601 8.719 -2.366 1.00 0.00 C ATOM 1068 O GLU A 69 92.609 9.161 -2.916 1.00 0.00 O ATOM 1069 CB GLU A 69 89.866 10.441 -2.904 1.00 0.00 C ATOM 1070 CG GLU A 69 90.245 11.025 -1.541 1.00 0.00 C ATOM 1071 CD GLU A 69 89.646 12.418 -1.387 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.557 13.118 -2.383 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 89.286 12.768 -0.275 1.00 0.00 O ATOM 0 H GLU A 69 88.855 8.604 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 69 90.223 8.626 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.393 10.975 -3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.799 10.578 -3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.884 10.375 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.330 11.074 -1.446 1.00 0.00 H new ATOM 1080 N ASN A 70 91.638 8.017 -1.241 1.00 0.00 N ATOM 1081 CA ASN A 70 92.901 7.722 -0.573 1.00 0.00 C ATOM 1082 C ASN A 70 92.696 6.662 0.505 1.00 0.00 C ATOM 1083 O ASN A 70 92.856 6.927 1.695 1.00 0.00 O ATOM 1084 CB ASN A 70 93.475 8.994 0.052 1.00 0.00 C ATOM 1085 CG ASN A 70 92.500 9.569 1.075 1.00 0.00 C ATOM 1086 OD1 ASN A 70 91.671 10.413 0.736 1.00 0.00 O ATOM 1087 ND2 ASN A 70 92.552 9.165 2.315 1.00 0.00 N ATOM 0 H ASN A 70 90.813 7.642 -0.773 1.00 0.00 H new ATOM 0 HA ASN A 70 93.604 7.340 -1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 70 94.428 8.773 0.532 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.674 9.732 -0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 70 91.905 9.549 3.004 1.00 0.00 H new ATOM 0 HD22 ASN A 70 93.239 8.465 2.595 1.00 0.00 H new ATOM 1094 N PRO A 71 92.340 5.474 0.101 1.00 0.00 N ATOM 1095 CA PRO A 71 92.094 4.340 1.037 1.00 0.00 C ATOM 1096 C PRO A 71 93.213 4.162 2.064 1.00 0.00 C ATOM 1097 O PRO A 71 92.963 3.773 3.206 1.00 0.00 O ATOM 1098 CB PRO A 71 92.013 3.120 0.112 1.00 0.00 C ATOM 1099 CG PRO A 71 91.599 3.654 -1.221 1.00 0.00 C ATOM 1100 CD PRO A 71 92.132 5.086 -1.303 1.00 0.00 C ATOM 0 HA PRO A 71 91.196 4.501 1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.975 2.611 0.049 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.291 2.393 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 71 92.006 3.043 -2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.514 3.638 -1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.061 5.133 -1.871 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.421 5.748 -1.798 1.00 0.00 H new ATOM 1108 N LYS A 72 94.446 4.427 1.646 1.00 0.00 N ATOM 1109 CA LYS A 72 95.595 4.266 2.532 1.00 0.00 C ATOM 1110 C LYS A 72 95.783 5.474 3.447 1.00 0.00 C ATOM 1111 O LYS A 72 95.980 5.319 4.652 1.00 0.00 O ATOM 1112 CB LYS A 72 96.860 4.060 1.693 1.00 0.00 C ATOM 1113 CG LYS A 72 98.075 3.825 2.606 1.00 0.00 C ATOM 1114 CD LYS A 72 98.110 2.366 3.086 1.00 0.00 C ATOM 1115 CE LYS A 72 98.251 1.415 1.890 1.00 0.00 C ATOM 1116 NZ LYS A 72 99.119 0.266 2.273 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.676 4.752 0.707 1.00 0.00 H new ATOM 0 HA LYS A 72 95.411 3.396 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.727 3.208 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.033 4.933 1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 72 98.993 4.059 2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.028 4.496 3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.943 2.222 3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.198 2.135 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 72 97.270 1.056 1.579 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.682 1.943 1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 99.760 0.038 1.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 99.677 0.518 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 98.526 -0.561 2.487 1.00 0.00 H new ATOM 1130 N LYS A 73 95.747 6.671 2.876 1.00 0.00 N ATOM 1131 CA LYS A 73 95.943 7.877 3.672 1.00 0.00 C ATOM 1132 C LYS A 73 94.876 7.991 4.757 1.00 0.00 C ATOM 1133 O LYS A 73 95.125 8.549 5.826 1.00 0.00 O ATOM 1134 CB LYS A 73 95.915 9.122 2.770 1.00 0.00 C ATOM 1135 CG LYS A 73 96.737 10.263 3.398 1.00 0.00 C ATOM 1136 CD LYS A 73 95.824 11.172 4.235 1.00 0.00 C ATOM 1137 CE LYS A 73 95.191 12.236 3.334 1.00 0.00 C ATOM 1138 NZ LYS A 73 96.195 13.297 3.039 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.587 6.833 1.882 1.00 0.00 H new ATOM 0 HA LYS A 73 96.918 7.811 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.317 8.875 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.885 9.447 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 73 97.527 9.850 4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.224 10.845 2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 73 95.046 10.579 4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.398 11.649 5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.842 11.782 2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.319 12.671 3.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 95.710 14.145 2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 96.714 13.535 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 96.863 12.953 2.320 1.00 0.00 H new ATOM 1152 N TYR A 74 93.689 7.459 4.483 1.00 0.00 N ATOM 1153 CA TYR A 74 92.604 7.515 5.456 1.00 0.00 C ATOM 1154 C TYR A 74 92.945 6.662 6.676 1.00 0.00 C ATOM 1155 O TYR A 74 92.971 7.157 7.803 1.00 0.00 O ATOM 1156 CB TYR A 74 91.297 7.025 4.819 1.00 0.00 C ATOM 1157 CG TYR A 74 90.125 7.774 5.417 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.025 9.161 5.253 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.142 7.082 6.135 1.00 0.00 C ATOM 1160 CE1 TYR A 74 88.943 9.856 5.806 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.060 7.777 6.688 1.00 0.00 C ATOM 1162 CZ TYR A 74 87.961 9.165 6.525 1.00 0.00 C ATOM 1163 OH TYR A 74 86.895 9.850 7.070 1.00 0.00 O ATOM 0 H TYR A 74 93.456 6.990 3.608 1.00 0.00 H new ATOM 0 HA TYR A 74 92.474 8.549 5.776 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.327 7.179 3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.179 5.954 4.985 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.783 9.695 4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.219 6.012 6.262 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.866 10.926 5.678 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.301 7.243 7.241 1.00 0.00 H new ATOM 0 HH TYR A 74 86.305 9.221 7.536 1.00 0.00 H new ATOM 1173 N ILE A 75 93.213 5.379 6.440 1.00 0.00 N ATOM 1174 CA ILE A 75 93.563 4.463 7.524 1.00 0.00 C ATOM 1175 C ILE A 75 94.865 3.735 7.193 1.00 0.00 C ATOM 1176 O ILE A 75 94.861 2.539 6.901 1.00 0.00 O ATOM 1177 CB ILE A 75 92.439 3.442 7.734 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.114 4.180 7.964 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.756 2.576 8.959 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.944 3.226 7.713 1.00 0.00 C ATOM 0 H ILE A 75 93.195 4.952 5.514 1.00 0.00 H new ATOM 0 HA ILE A 75 93.697 5.038 8.440 1.00 0.00 H new ATOM 0 HB ILE A 75 92.356 2.809 6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.072 4.563 8.984 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.045 5.040 7.298 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.957 1.850 9.108 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.698 2.051 8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.839 3.210 9.841 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.004 3.752 7.877 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.983 2.865 6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.011 2.380 8.398 1.00 0.00 H new ATOM 1192 N PRO A 76 95.970 4.436 7.230 1.00 0.00 N ATOM 1193 CA PRO A 76 97.306 3.853 6.921 1.00 0.00 C ATOM 1194 C PRO A 76 97.488 2.472 7.544 1.00 0.00 C ATOM 1195 O PRO A 76 97.277 2.289 8.742 1.00 0.00 O ATOM 1196 CB PRO A 76 98.280 4.866 7.525 1.00 0.00 C ATOM 1197 CG PRO A 76 97.564 6.177 7.465 1.00 0.00 C ATOM 1198 CD PRO A 76 96.066 5.866 7.570 1.00 0.00 C ATOM 0 HA PRO A 76 97.455 3.696 5.853 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.536 4.603 8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.213 4.900 6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.882 6.829 8.279 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.787 6.697 6.534 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.687 6.063 8.573 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.483 6.479 6.883 1.00 0.00 H new ATOM 1206 N GLY A 77 97.879 1.504 6.719 1.00 0.00 N ATOM 1207 CA GLY A 77 98.086 0.137 7.190 1.00 0.00 C ATOM 1208 C GLY A 77 97.126 -0.823 6.498 1.00 0.00 C ATOM 1209 O GLY A 77 97.447 -1.992 6.287 1.00 0.00 O ATOM 0 H GLY A 77 98.058 1.640 5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.115 -0.168 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 77 97.938 0.093 8.269 1.00 0.00 H new ATOM 1213 N THR A 78 95.950 -0.318 6.140 1.00 0.00 N ATOM 1214 CA THR A 78 94.949 -1.138 5.466 1.00 0.00 C ATOM 1215 C THR A 78 95.537 -1.765 4.207 1.00 0.00 C ATOM 1216 O THR A 78 96.273 -1.112 3.466 1.00 0.00 O ATOM 1217 CB THR A 78 93.743 -0.278 5.093 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.715 -1.107 4.567 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.163 0.747 4.044 1.00 0.00 C ATOM 0 H THR A 78 95.668 0.648 6.304 1.00 0.00 H new ATOM 0 HA THR A 78 94.635 -1.932 6.143 1.00 0.00 H new ATOM 0 HB THR A 78 93.371 0.238 5.978 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.618 -1.904 5.128 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.306 1.364 3.774 1.00 0.00 H new ATOM 0 HG22 THR A 78 94.952 1.380 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.532 0.230 3.158 1.00 0.00 H new ATOM 1227 N LYS A 79 95.215 -3.034 3.969 1.00 0.00 N ATOM 1228 CA LYS A 79 95.732 -3.727 2.790 1.00 0.00 C ATOM 1229 C LYS A 79 94.860 -3.452 1.566 1.00 0.00 C ATOM 1230 O LYS A 79 93.897 -4.170 1.304 1.00 0.00 O ATOM 1231 CB LYS A 79 95.791 -5.235 3.053 1.00 0.00 C ATOM 1232 CG LYS A 79 96.418 -5.951 1.841 1.00 0.00 C ATOM 1233 CD LYS A 79 97.453 -6.979 2.314 1.00 0.00 C ATOM 1234 CE LYS A 79 96.747 -8.125 3.042 1.00 0.00 C ATOM 1235 NZ LYS A 79 97.744 -8.901 3.832 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.609 -3.597 4.566 1.00 0.00 H new ATOM 0 HA LYS A 79 96.736 -3.353 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 79 96.379 -5.435 3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.788 -5.621 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 79 95.641 -6.447 1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.892 -5.222 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.011 -7.366 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.175 -6.503 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 79 95.973 -7.730 3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 79 96.251 -8.776 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 97.264 -9.680 4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 98.467 -9.290 3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 98.198 -8.276 4.528 1.00 0.00 H new ATOM 1249 N MET A 80 95.213 -2.411 0.816 1.00 0.00 N ATOM 1250 CA MET A 80 94.467 -2.049 -0.386 1.00 0.00 C ATOM 1251 C MET A 80 95.138 -0.877 -1.096 1.00 0.00 C ATOM 1252 O MET A 80 94.967 0.278 -0.704 1.00 0.00 O ATOM 1253 CB MET A 80 93.026 -1.672 -0.027 1.00 0.00 C ATOM 1254 CG MET A 80 92.292 -1.193 -1.285 1.00 0.00 C ATOM 1255 SD MET A 80 90.523 -1.021 -0.931 1.00 0.00 S ATOM 1256 CE MET A 80 90.164 0.260 -2.157 1.00 0.00 C ATOM 0 H MET A 80 96.008 -1.805 1.018 1.00 0.00 H new ATOM 0 HA MET A 80 94.456 -2.911 -1.052 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.511 -2.531 0.402 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.022 -0.887 0.730 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.701 -0.238 -1.615 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.443 -1.903 -2.098 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.140 0.610 -2.028 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.852 1.095 -2.023 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.283 -0.152 -3.159 1.00 0.00 H new ATOM 1266 N ILE A 81 95.900 -1.181 -2.143 1.00 0.00 N ATOM 1267 CA ILE A 81 96.594 -0.147 -2.905 1.00 0.00 C ATOM 1268 C ILE A 81 96.424 -0.380 -4.403 1.00 0.00 C ATOM 1269 O ILE A 81 97.288 -0.970 -5.052 1.00 0.00 O ATOM 1270 CB ILE A 81 98.085 -0.147 -2.552 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.264 0.136 -1.051 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.795 0.940 -3.365 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.230 -1.177 -0.258 1.00 0.00 C ATOM 0 H ILE A 81 96.052 -2.131 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 81 96.160 0.819 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 81 98.514 -1.121 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.211 0.648 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.474 0.801 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.857 0.944 -3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.671 0.738 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.363 1.912 -3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.358 -0.964 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.272 -1.673 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 81 99.036 -1.828 -0.597 1.00 0.00 H new ATOM 1285 N PHE A 82 95.302 0.088 -4.944 1.00 0.00 N ATOM 1286 CA PHE A 82 95.016 -0.071 -6.370 1.00 0.00 C ATOM 1287 C PHE A 82 95.015 1.286 -7.068 1.00 0.00 C ATOM 1288 O PHE A 82 95.931 1.606 -7.825 1.00 0.00 O ATOM 1289 CB PHE A 82 93.653 -0.744 -6.550 1.00 0.00 C ATOM 1290 CG PHE A 82 93.304 -0.806 -8.020 1.00 0.00 C ATOM 1291 CD1 PHE A 82 93.892 -1.776 -8.839 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.388 0.106 -8.560 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.566 -1.834 -10.199 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.062 0.047 -9.920 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.650 -0.923 -10.740 1.00 0.00 C ATOM 0 H PHE A 82 94.578 0.579 -4.420 1.00 0.00 H new ATOM 0 HA PHE A 82 95.792 -0.694 -6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.675 -1.749 -6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.888 -0.188 -6.008 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.597 -2.480 -8.422 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.934 0.854 -7.927 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.021 -2.582 -10.832 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.356 0.750 -10.337 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.398 -0.969 -11.789 1.00 0.00 H new ATOM 1305 N ALA A 83 93.979 2.078 -6.807 1.00 0.00 N ATOM 1306 CA ALA A 83 93.866 3.400 -7.415 1.00 0.00 C ATOM 1307 C ALA A 83 92.650 4.139 -6.867 1.00 0.00 C ATOM 1308 O ALA A 83 91.511 3.714 -7.066 1.00 0.00 O ATOM 1309 CB ALA A 83 93.746 3.268 -8.935 1.00 0.00 C ATOM 0 H ALA A 83 93.211 1.830 -6.183 1.00 0.00 H new ATOM 0 HA ALA A 83 94.763 3.970 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.662 4.259 -9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.631 2.767 -9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.859 2.683 -9.181 1.00 0.00 H new ATOM 1315 N GLY A 84 92.898 5.244 -6.173 1.00 0.00 N ATOM 1316 CA GLY A 84 91.817 6.034 -5.595 1.00 0.00 C ATOM 1317 C GLY A 84 90.964 6.679 -6.683 1.00 0.00 C ATOM 1318 O GLY A 84 91.293 6.610 -7.867 1.00 0.00 O ATOM 0 H GLY A 84 93.833 5.612 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.192 5.397 -4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.233 6.807 -4.949 1.00 0.00 H new ATOM 1322 N ILE A 85 89.867 7.305 -6.268 1.00 0.00 N ATOM 1323 CA ILE A 85 88.966 7.962 -7.211 1.00 0.00 C ATOM 1324 C ILE A 85 89.469 9.368 -7.537 1.00 0.00 C ATOM 1325 O ILE A 85 90.284 9.929 -6.805 1.00 0.00 O ATOM 1326 CB ILE A 85 87.561 8.036 -6.608 1.00 0.00 C ATOM 1327 CG1 ILE A 85 86.965 6.620 -6.505 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.662 8.914 -7.485 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.279 6.230 -7.819 1.00 0.00 C ATOM 0 H ILE A 85 89.581 7.372 -5.291 1.00 0.00 H new ATOM 0 HA ILE A 85 88.935 7.383 -8.134 1.00 0.00 H new ATOM 0 HB ILE A 85 87.623 8.474 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.753 5.903 -6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.246 6.580 -5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.664 8.962 -7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.081 9.919 -7.544 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.601 8.487 -8.486 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.863 5.226 -7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.478 6.937 -8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.008 6.249 -8.630 1.00 0.00 H new ATOM 1341 N LYS A 86 88.987 9.926 -8.646 1.00 0.00 N ATOM 1342 CA LYS A 86 89.404 11.262 -9.068 1.00 0.00 C ATOM 1343 C LYS A 86 88.366 12.320 -8.687 1.00 0.00 C ATOM 1344 O LYS A 86 88.609 13.147 -7.807 1.00 0.00 O ATOM 1345 CB LYS A 86 89.622 11.275 -10.584 1.00 0.00 C ATOM 1346 CG LYS A 86 89.907 12.703 -11.058 1.00 0.00 C ATOM 1347 CD LYS A 86 90.370 12.678 -12.522 1.00 0.00 C ATOM 1348 CE LYS A 86 89.952 13.975 -13.221 1.00 0.00 C ATOM 1349 NZ LYS A 86 90.307 13.894 -14.667 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.312 9.477 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 86 90.335 11.505 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 86 90.455 10.623 -10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 86 88.740 10.884 -11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 86 89.010 13.315 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.674 13.159 -10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.453 12.562 -12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 86 89.935 11.821 -13.036 1.00 0.00 H new ATOM 0 HE2 LYS A 86 88.880 14.134 -13.107 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.451 14.827 -12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 90.024 14.774 -15.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 91.334 13.762 -14.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 89.811 13.090 -15.102 1.00 0.00 H new ATOM 1363 N LYS A 87 87.219 12.302 -9.363 1.00 0.00 N ATOM 1364 CA LYS A 87 86.167 13.283 -9.091 1.00 0.00 C ATOM 1365 C LYS A 87 85.279 12.838 -7.932 1.00 0.00 C ATOM 1366 O LYS A 87 85.271 11.668 -7.550 1.00 0.00 O ATOM 1367 CB LYS A 87 85.307 13.490 -10.344 1.00 0.00 C ATOM 1368 CG LYS A 87 86.182 14.011 -11.497 1.00 0.00 C ATOM 1369 CD LYS A 87 85.404 15.036 -12.334 1.00 0.00 C ATOM 1370 CE LYS A 87 84.263 14.342 -13.088 1.00 0.00 C ATOM 1371 NZ LYS A 87 84.754 13.884 -14.418 1.00 0.00 N1+ ATOM 0 H LYS A 87 86.994 11.628 -10.095 1.00 0.00 H new ATOM 0 HA LYS A 87 86.648 14.221 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.834 12.551 -10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.507 14.199 -10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.087 14.469 -11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.497 13.180 -12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 87 85.002 15.816 -11.687 1.00 0.00 H new ATOM 0 HD3 LYS A 87 86.075 15.524 -13.042 1.00 0.00 H new ATOM 0 HE2 LYS A 87 83.895 13.493 -12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 87 83.426 15.028 -13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 83.981 13.413 -14.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 85.085 14.703 -14.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 85.540 13.215 -14.287 1.00 0.00 H new ATOM 1385 N LYS A 88 84.531 13.785 -7.375 1.00 0.00 N ATOM 1386 CA LYS A 88 83.641 13.483 -6.263 1.00 0.00 C ATOM 1387 C LYS A 88 82.478 12.616 -6.731 1.00 0.00 C ATOM 1388 O LYS A 88 82.211 11.564 -6.156 1.00 0.00 O ATOM 1389 CB LYS A 88 83.100 14.779 -5.652 1.00 0.00 C ATOM 1390 CG LYS A 88 82.404 14.471 -4.319 1.00 0.00 C ATOM 1391 CD LYS A 88 81.467 15.626 -3.942 1.00 0.00 C ATOM 1392 CE LYS A 88 80.091 15.406 -4.579 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.322 16.683 -4.553 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.524 14.760 -7.673 1.00 0.00 H new ATOM 0 HA LYS A 88 84.208 12.938 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.915 15.485 -5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.398 15.251 -6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.838 13.543 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.148 14.323 -3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.370 15.689 -2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.887 16.573 -4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.205 15.058 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.548 14.631 -4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.388 16.535 -4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.202 16.996 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.839 17.410 -5.087 1.00 0.00 H new ATOM 1407 N THR A 89 81.788 13.063 -7.778 1.00 0.00 N ATOM 1408 CA THR A 89 80.656 12.306 -8.304 1.00 0.00 C ATOM 1409 C THR A 89 81.050 10.855 -8.529 1.00 0.00 C ATOM 1410 O THR A 89 80.212 9.957 -8.453 1.00 0.00 O ATOM 1411 CB THR A 89 80.170 12.909 -9.620 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.249 12.965 -10.542 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.630 14.319 -9.373 1.00 0.00 C ATOM 0 H THR A 89 81.989 13.932 -8.272 1.00 0.00 H new ATOM 0 HA THR A 89 79.849 12.352 -7.572 1.00 0.00 H new ATOM 0 HB THR A 89 79.374 12.288 -10.031 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.937 13.350 -11.387 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.284 14.746 -10.314 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.799 14.272 -8.669 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.421 14.944 -8.960 1.00 0.00 H new ATOM 1421 N GLU A 90 82.329 10.626 -8.795 1.00 0.00 N ATOM 1422 CA GLU A 90 82.810 9.272 -9.010 1.00 0.00 C ATOM 1423 C GLU A 90 82.723 8.505 -7.699 1.00 0.00 C ATOM 1424 O GLU A 90 82.409 7.317 -7.677 1.00 0.00 O ATOM 1425 CB GLU A 90 84.255 9.291 -9.514 1.00 0.00 C ATOM 1426 CG GLU A 90 84.282 9.666 -10.996 1.00 0.00 C ATOM 1427 CD GLU A 90 85.702 10.033 -11.415 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.610 9.786 -10.638 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.861 10.554 -12.506 1.00 0.00 O ATOM 0 H GLU A 90 83.043 11.351 -8.866 1.00 0.00 H new ATOM 0 HA GLU A 90 82.193 8.784 -9.765 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.841 10.007 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.713 8.313 -9.369 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.921 8.832 -11.597 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.611 10.505 -11.180 1.00 0.00 H new ATOM 1436 N ARG A 91 82.986 9.210 -6.602 1.00 0.00 N ATOM 1437 CA ARG A 91 82.916 8.604 -5.279 1.00 0.00 C ATOM 1438 C ARG A 91 81.463 8.465 -4.845 1.00 0.00 C ATOM 1439 O ARG A 91 81.036 7.399 -4.413 1.00 0.00 O ATOM 1440 CB ARG A 91 83.660 9.468 -4.257 1.00 0.00 C ATOM 1441 CG ARG A 91 85.117 9.636 -4.683 1.00 0.00 C ATOM 1442 CD ARG A 91 85.921 10.289 -3.549 1.00 0.00 C ATOM 1443 NE ARG A 91 86.510 11.542 -4.008 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.997 12.430 -3.147 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.964 12.185 -1.866 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.509 13.548 -3.583 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.248 10.196 -6.604 1.00 0.00 H new ATOM 0 HA ARG A 91 83.381 7.620 -5.328 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.181 10.444 -4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.611 9.005 -3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.546 8.666 -4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.174 10.251 -5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.272 10.475 -2.693 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.706 9.611 -3.212 1.00 0.00 H new ATOM 0 HE ARG A 91 86.549 11.740 -5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.564 11.311 -1.524 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.338 12.867 -1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.536 13.741 -4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.883 14.230 -2.923 1.00 0.00 H new ATOM 1460 N GLU A 92 80.708 9.555 -4.963 1.00 0.00 N ATOM 1461 CA GLU A 92 79.302 9.540 -4.576 1.00 0.00 C ATOM 1462 C GLU A 92 78.552 8.475 -5.367 1.00 0.00 C ATOM 1463 O GLU A 92 77.892 7.614 -4.789 1.00 0.00 O ATOM 1464 CB GLU A 92 78.670 10.911 -4.829 1.00 0.00 C ATOM 1465 CG GLU A 92 77.354 11.017 -4.056 1.00 0.00 C ATOM 1466 CD GLU A 92 76.558 12.222 -4.546 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.404 12.357 -5.749 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 76.114 12.993 -3.711 1.00 0.00 O ATOM 0 H GLU A 92 81.043 10.450 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 92 79.236 9.308 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.352 11.701 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.490 11.049 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.770 10.106 -4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.556 11.113 -2.989 1.00 0.00 H new ATOM 1475 N ASP A 93 78.668 8.529 -6.692 1.00 0.00 N ATOM 1476 CA ASP A 93 78.004 7.547 -7.539 1.00 0.00 C ATOM 1477 C ASP A 93 78.464 6.142 -7.165 1.00 0.00 C ATOM 1478 O ASP A 93 77.652 5.233 -6.999 1.00 0.00 O ATOM 1479 CB ASP A 93 78.320 7.817 -9.012 1.00 0.00 C ATOM 1480 CG ASP A 93 77.870 9.224 -9.394 1.00 0.00 C ATOM 1481 OD1 ASP A 93 76.837 9.647 -8.905 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.567 9.856 -10.170 1.00 0.00 O1- ATOM 0 H ASP A 93 79.208 9.233 -7.195 1.00 0.00 H new ATOM 0 HA ASP A 93 76.928 7.626 -7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.390 7.708 -9.189 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.817 7.082 -9.641 1.00 0.00 H new ATOM 1487 N LEU A 94 79.777 5.978 -7.027 1.00 0.00 N ATOM 1488 CA LEU A 94 80.343 4.683 -6.664 1.00 0.00 C ATOM 1489 C LEU A 94 79.820 4.243 -5.308 1.00 0.00 C ATOM 1490 O LEU A 94 79.606 3.055 -5.065 1.00 0.00 O ATOM 1491 CB LEU A 94 81.871 4.777 -6.598 1.00 0.00 C ATOM 1492 CG LEU A 94 82.462 3.443 -6.135 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.976 2.323 -7.053 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.991 3.516 -6.185 1.00 0.00 C ATOM 0 H LEU A 94 80.464 6.720 -7.160 1.00 0.00 H new ATOM 0 HA LEU A 94 80.051 3.956 -7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.269 5.039 -7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.165 5.571 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 94 82.141 3.240 -5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.397 1.373 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.888 2.269 -7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.296 2.526 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.412 2.566 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.312 3.720 -7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.339 4.314 -5.529 1.00 0.00 H new ATOM 1506 N ILE A 95 79.627 5.210 -4.422 1.00 0.00 N ATOM 1507 CA ILE A 95 79.142 4.916 -3.087 1.00 0.00 C ATOM 1508 C ILE A 95 77.648 4.642 -3.110 1.00 0.00 C ATOM 1509 O ILE A 95 77.131 3.884 -2.289 1.00 0.00 O ATOM 1510 CB ILE A 95 79.471 6.073 -2.140 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.971 6.016 -1.815 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.646 5.949 -0.850 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.496 7.405 -1.456 1.00 0.00 C ATOM 0 H ILE A 95 79.799 6.199 -4.605 1.00 0.00 H new ATOM 0 HA ILE A 95 79.642 4.019 -2.722 1.00 0.00 H new ATOM 0 HB ILE A 95 79.226 7.025 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.143 5.330 -0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.520 5.624 -2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.887 6.777 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.584 5.977 -1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.881 5.006 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.560 7.344 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.343 8.081 -2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 95 80.960 7.783 -0.585 1.00 0.00 H new ATOM 1525 N ALA A 96 76.960 5.241 -4.071 1.00 0.00 N ATOM 1526 CA ALA A 96 75.531 5.031 -4.203 1.00 0.00 C ATOM 1527 C ALA A 96 75.274 3.578 -4.579 1.00 0.00 C ATOM 1528 O ALA A 96 74.291 2.973 -4.149 1.00 0.00 O ATOM 1529 CB ALA A 96 74.964 5.958 -5.275 1.00 0.00 C ATOM 0 H ALA A 96 77.366 5.870 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 96 75.040 5.254 -3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.890 5.794 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.149 6.995 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.447 5.748 -6.230 1.00 0.00 H new ATOM 1535 N TYR A 97 76.183 3.019 -5.374 1.00 0.00 N ATOM 1536 CA TYR A 97 76.063 1.632 -5.792 1.00 0.00 C ATOM 1537 C TYR A 97 76.477 0.712 -4.649 1.00 0.00 C ATOM 1538 O TYR A 97 75.815 -0.288 -4.378 1.00 0.00 O ATOM 1539 CB TYR A 97 76.943 1.359 -7.015 1.00 0.00 C ATOM 1540 CG TYR A 97 76.919 -0.120 -7.324 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.828 -0.676 -7.999 1.00 0.00 C ATOM 1542 CD2 TYR A 97 77.984 -0.937 -6.925 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.800 -2.049 -8.276 1.00 0.00 C ATOM 1544 CE2 TYR A 97 77.958 -2.309 -7.204 1.00 0.00 C ATOM 1545 CZ TYR A 97 76.865 -2.864 -7.878 1.00 0.00 C ATOM 1546 OH TYR A 97 76.837 -4.216 -8.152 1.00 0.00 O ATOM 0 H TYR A 97 77.004 3.504 -5.737 1.00 0.00 H new ATOM 0 HA TYR A 97 75.024 1.439 -6.059 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.582 1.928 -7.872 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.965 1.686 -6.823 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.006 -0.047 -8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.826 -0.509 -6.402 1.00 0.00 H new ATOM 0 HE1 TYR A 97 74.957 -2.478 -8.797 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.781 -2.938 -6.899 1.00 0.00 H new ATOM 0 HH TYR A 97 77.653 -4.636 -7.809 1.00 0.00 H new ATOM 1556 N LEU A 98 77.575 1.059 -3.980 1.00 0.00 N ATOM 1557 CA LEU A 98 78.059 0.258 -2.866 1.00 0.00 C ATOM 1558 C LEU A 98 76.980 0.142 -1.792 1.00 0.00 C ATOM 1559 O LEU A 98 76.981 -0.795 -0.997 1.00 0.00 O ATOM 1560 CB LEU A 98 79.318 0.897 -2.263 1.00 0.00 C ATOM 1561 CG LEU A 98 80.549 0.543 -3.113 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.655 1.577 -2.897 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.075 -0.832 -2.696 1.00 0.00 C ATOM 0 H LEU A 98 78.139 1.882 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 98 78.304 -0.738 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.199 1.979 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.459 0.546 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 98 80.260 0.535 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.521 1.315 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.293 2.563 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.940 1.590 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.948 -1.085 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.354 -0.811 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.298 -1.581 -2.851 1.00 0.00 H new ATOM 1575 N LYS A 99 76.058 1.103 -1.777 1.00 0.00 N ATOM 1576 CA LYS A 99 74.978 1.095 -0.795 1.00 0.00 C ATOM 1577 C LYS A 99 73.886 0.112 -1.205 1.00 0.00 C ATOM 1578 O LYS A 99 73.502 -0.763 -0.428 1.00 0.00 O ATOM 1579 CB LYS A 99 74.376 2.500 -0.663 1.00 0.00 C ATOM 1580 CG LYS A 99 75.259 3.355 0.249 1.00 0.00 C ATOM 1581 CD LYS A 99 74.654 4.756 0.389 1.00 0.00 C ATOM 1582 CE LYS A 99 73.299 4.672 1.101 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.008 5.973 1.767 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.037 1.889 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 99 75.391 0.784 0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.294 2.965 -1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.367 2.437 -0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.347 2.887 1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.266 3.423 -0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 99 75.331 5.399 0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.530 5.208 -0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 99 72.513 4.434 0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.312 3.869 1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 72.089 5.918 2.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.753 6.181 2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 72.979 6.729 1.054 1.00 0.00 H new ATOM 1597 N LYS A 100 73.390 0.263 -2.427 1.00 0.00 N ATOM 1598 CA LYS A 100 72.338 -0.615 -2.927 1.00 0.00 C ATOM 1599 C LYS A 100 72.902 -1.996 -3.248 1.00 0.00 C ATOM 1600 O LYS A 100 72.159 -2.970 -3.360 1.00 0.00 O ATOM 1601 CB LYS A 100 71.708 -0.011 -4.183 1.00 0.00 C ATOM 1602 CG LYS A 100 70.859 1.202 -3.795 1.00 0.00 C ATOM 1603 CD LYS A 100 70.101 1.710 -5.022 1.00 0.00 C ATOM 1604 CE LYS A 100 69.551 3.109 -4.741 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.621 3.507 -5.836 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.696 0.979 -3.086 1.00 0.00 H new ATOM 0 HA LYS A 100 71.576 -0.718 -2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.486 0.286 -4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 100 71.090 -0.755 -4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.156 0.930 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.496 1.991 -3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.764 1.736 -5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 100 69.285 1.029 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 100 69.029 3.121 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 100 70.370 3.825 -4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 68.247 4.458 -5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 69.133 3.511 -6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 67.834 2.829 -5.886 1.00 0.00 H new ATOM 1619 N ALA A 101 74.220 -2.070 -3.390 1.00 0.00 N ATOM 1620 CA ALA A 101 74.881 -3.333 -3.695 1.00 0.00 C ATOM 1621 C ALA A 101 75.179 -4.103 -2.413 1.00 0.00 C ATOM 1622 O ALA A 101 75.196 -5.334 -2.406 1.00 0.00 O ATOM 1623 CB ALA A 101 76.186 -3.070 -4.448 1.00 0.00 C ATOM 0 H ALA A 101 74.850 -1.273 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 101 74.215 -3.930 -4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.674 -4.018 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.970 -2.544 -5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.845 -2.460 -3.831 1.00 0.00 H new ATOM 1629 N THR A 102 75.412 -3.368 -1.331 1.00 0.00 N ATOM 1630 CA THR A 102 75.711 -3.989 -0.043 1.00 0.00 C ATOM 1631 C THR A 102 74.430 -4.194 0.751 1.00 0.00 C ATOM 1632 O THR A 102 74.446 -4.755 1.848 1.00 0.00 O ATOM 1633 CB THR A 102 76.670 -3.103 0.752 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.114 -1.802 0.882 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.012 -3.021 0.025 1.00 0.00 C ATOM 0 H THR A 102 75.400 -2.348 -1.318 1.00 0.00 H new ATOM 0 HA THR A 102 76.178 -4.958 -0.222 1.00 0.00 H new ATOM 0 HB THR A 102 76.824 -3.530 1.743 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.229 -1.312 0.041 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.695 -2.389 0.592 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.436 -4.021 -0.070 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.863 -2.595 -0.967 1.00 0.00 H new ATOM 1643 N ASN A 103 73.322 -3.731 0.187 1.00 0.00 N ATOM 1644 CA ASN A 103 72.026 -3.860 0.839 1.00 0.00 C ATOM 1645 C ASN A 103 71.285 -5.081 0.306 1.00 0.00 C ATOM 1646 O ASN A 103 70.420 -5.639 0.978 1.00 0.00 O ATOM 1647 CB ASN A 103 71.199 -2.599 0.584 1.00 0.00 C ATOM 1648 CG ASN A 103 71.650 -1.482 1.515 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.867 -0.591 1.844 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.874 -1.477 1.962 1.00 0.00 N ATOM 0 H ASN A 103 73.295 -3.263 -0.719 1.00 0.00 H new ATOM 0 HA ASN A 103 72.178 -3.985 1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.310 -2.285 -0.454 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.141 -2.810 0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.186 -0.733 2.587 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.520 -2.217 1.687 1.00 0.00 H new ATOM 1657 N GLU A 104 71.638 -5.489 -0.909 1.00 0.00 N ATOM 1658 CA GLU A 104 71.005 -6.648 -1.530 1.00 0.00 C ATOM 1659 C GLU A 104 71.918 -7.250 -2.593 1.00 0.00 C ATOM 1660 O GLU A 104 73.114 -7.023 -2.516 1.00 0.00 O ATOM 1661 CB GLU A 104 69.676 -6.238 -2.169 1.00 0.00 C ATOM 1662 CG GLU A 104 69.916 -5.094 -3.156 1.00 0.00 C ATOM 1663 CD GLU A 104 68.607 -4.713 -3.840 1.00 0.00 C ATOM 1664 OE1 GLU A 104 68.091 -5.529 -4.586 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 68.140 -3.610 -3.607 1.00 0.00 O ATOM 1666 OXT GLU A 104 71.407 -7.929 -3.469 1.00 0.00 O ATOM 0 H GLU A 104 72.353 -5.038 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 104 70.821 -7.396 -0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.230 -7.089 -2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 104 68.971 -5.926 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.327 -4.231 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.652 -5.394 -3.902 1.00 0.00 H new TER 1673 GLU A 104 HETATM 1674 FE HEC A 201 88.977 -2.706 -1.183 1.00 0.00 FE HETATM 1675 CHA HEC A 201 89.233 -3.310 2.136 1.00 0.00 C HETATM 1676 CHB HEC A 201 86.402 -0.595 -0.596 1.00 0.00 C HETATM 1677 CHC HEC A 201 88.821 -1.986 -4.483 1.00 0.00 C HETATM 1678 CHD HEC A 201 91.417 -4.972 -1.785 1.00 0.00 C HETATM 1679 NA HEC A 201 88.036 -2.080 0.415 1.00 0.00 N HETATM 1680 C1A HEC A 201 88.280 -2.414 1.728 1.00 0.00 C HETATM 1681 C2A HEC A 201 87.374 -1.739 2.622 1.00 0.00 C HETATM 1682 C3A HEC A 201 86.555 -0.992 1.849 1.00 0.00 C HETATM 1683 C4A HEC A 201 86.974 -1.206 0.487 1.00 0.00 C HETATM 1684 CMA HEC A 201 85.435 -0.123 2.315 1.00 0.00 C HETATM 1685 CAA HEC A 201 87.354 -1.834 4.106 1.00 0.00 C HETATM 1686 CBA HEC A 201 86.634 -3.088 4.604 1.00 0.00 C HETATM 1687 CGA HEC A 201 86.238 -2.914 6.060 1.00 0.00 C HETATM 1688 O1A HEC A 201 85.270 -3.536 6.463 1.00 0.00 O HETATM 1689 O2A HEC A 201 86.910 -2.169 6.752 1.00 0.00 O HETATM 1690 NB HEC A 201 87.869 -1.534 -2.291 1.00 0.00 N HETATM 1691 C1B HEC A 201 86.810 -0.747 -1.894 1.00 0.00 C HETATM 1692 C2B HEC A 201 86.196 -0.076 -3.009 1.00 0.00 C HETATM 1693 C3B HEC A 201 86.904 -0.433 -4.110 1.00 0.00 C HETATM 1694 C4B HEC A 201 87.933 -1.344 -3.654 1.00 0.00 C HETATM 1695 CMB HEC A 201 84.973 0.773 -2.964 1.00 0.00 C HETATM 1696 CAB HEC A 201 86.686 0.052 -5.511 1.00 0.00 C HETATM 1697 CBB HEC A 201 86.936 1.559 -5.667 1.00 0.00 C HETATM 1698 NC HEC A 201 89.917 -3.333 -2.780 1.00 0.00 N HETATM 1699 C1C HEC A 201 89.745 -2.918 -4.083 1.00 0.00 C HETATM 1700 C2C HEC A 201 90.615 -3.628 -4.987 1.00 0.00 C HETATM 1701 C3C HEC A 201 91.317 -4.507 -4.234 1.00 0.00 C HETATM 1702 C4C HEC A 201 90.892 -4.305 -2.866 1.00 0.00 C HETATM 1703 CMC HEC A 201 90.734 -3.415 -6.457 1.00 0.00 C HETATM 1704 CAC HEC A 201 92.271 -5.550 -4.733 1.00 0.00 C HETATM 1705 CBC HEC A 201 93.462 -4.961 -5.505 1.00 0.00 C HETATM 1706 ND HEC A 201 90.078 -3.883 -0.071 1.00 0.00 N HETATM 1707 C1D HEC A 201 91.048 -4.773 -0.477 1.00 0.00 C HETATM 1708 C2D HEC A 201 91.652 -5.449 0.648 1.00 0.00 C HETATM 1709 C3D HEC A 201 91.041 -4.964 1.757 1.00 0.00 C HETATM 1710 C4D HEC A 201 90.073 -4.000 1.302 1.00 0.00 C HETATM 1711 CMD HEC A 201 92.742 -6.467 0.600 1.00 0.00 C HETATM 1712 CAD HEC A 201 91.320 -5.344 3.173 1.00 0.00 C HETATM 1713 CBD HEC A 201 92.092 -4.261 3.932 1.00 0.00 C HETATM 1714 CGD HEC A 201 92.326 -4.698 5.373 1.00 0.00 C HETATM 1715 O1D HEC A 201 92.296 -5.892 5.622 1.00 0.00 O HETATM 1716 O2D HEC A 201 92.531 -3.831 6.207 1.00 0.00 O HETATM 0 HMD3 HEC A 201 92.413 -7.325 0.013 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 93.628 -6.030 0.139 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 92.982 -6.791 1.613 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 89.769 -3.598 -6.930 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 91.045 -2.389 -6.652 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 91.475 -4.103 -6.865 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 84.132 0.181 -2.602 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 85.140 1.616 -2.293 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 84.751 1.144 -3.964 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 84.701 -0.729 2.846 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 85.824 0.645 2.984 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 84.961 0.351 1.456 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 93.047 -4.072 3.441 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 91.534 -3.325 3.914 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 93.097 -4.408 -6.370 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 94.021 -4.289 -4.854 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 94.114 -5.768 -5.839 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 86.257 2.110 -5.016 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 87.966 1.787 -5.393 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 86.762 1.851 -6.703 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 85.748 -3.274 3.997 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 87.283 -3.957 4.496 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 90.378 -5.540 3.685 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 91.891 -6.272 3.190 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 88.378 -1.834 4.480 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 86.864 -0.951 4.517 1.00 0.00 H new HETATM 0 HHD HEC A 201 92.187 -5.718 -1.981 1.00 0.00 H new HETATM 0 HHC HEC A 201 88.789 -1.735 -5.543 1.00 0.00 H new HETATM 0 HHB HEC A 201 85.555 0.065 -0.410 1.00 0.00 H new HETATM 0 HHA HEC A 201 89.330 -3.488 3.207 1.00 0.00 H new HETATM 1749 O HOH A 301 80.691 3.093 -0.883 1.00 0.00 O HETATM 1752 O HOH A 302 86.094 5.572 6.085 1.00 0.00 O HETATM 1755 O HOH A 303 82.524 -5.965 5.672 1.00 0.00 O HETATM 1758 O HOH A 304 81.222 -10.334 -0.005 1.00 0.00 O