USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC H2A : A 105 HEC O2A : A 105 HEC CGA :(short bond) USER MOD Set 1.1: A 52 ASN : amide:sc= 0.335 K(o=3.6,f=1.1!) USER MOD Set 1.2: A 67 TYR OH : rot -140:sc= 1.32 USER MOD Set 1.3: A 78 THR OG1 : rot 169:sc= 1.02 USER MOD Set 1.4: A 105 HEC O2D : rot -73:sc= 0.945 USER MOD Set 2.1: A 12 GLN : amide:sc= 0.964 K(o=2.9,f=-4.9) USER MOD Set 2.2: A 13 LYS NZ :NH3+ -176:sc= 1.9 (180deg=0.412) USER MOD Single : A 1 GLY N :NH3+ -150:sc= -1.45 (180deg=-3.81!) USER MOD Single : A 5 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0608) USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= 0.728 (180deg=-1.06!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.4!) USER MOD Single : A 19 THR OG1 : rot 12:sc= 0.829 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 HD1:sc= -0.258 X(o=-0.26,f=-0.075) USER MOD Single : A 27 LYS NZ :NH3+ 141:sc= -0.212 (180deg=-0.941) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.368 USER MOD Single : A 31 ASN : amide:sc= 0.545 K(o=0.54,f=-1.5) USER MOD Single : A 33 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.15) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -101:sc= 1.33 USER MOD Single : A 42 GLN : amide:sc= 0.913 K(o=0.91,f=0) USER MOD Single : A 47 THR OG1 : rot -50:sc= 0.173 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 49 THR OG1 : rot -68:sc= 1.27 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ -98:sc= 1.22 (180deg=-0.816) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00464 USER MOD Single : A 60 LYS NZ :NH3+ 139:sc= 1 (180deg=0.833) USER MOD Single : A 63 THR OG1 : rot 170:sc= 0.0771 USER MOD Single : A 65 MET CE :methyl -160:sc= -0.153 (180deg=-0.441) USER MOD Single : A 70 ASN : amide:sc= -0.0734 K(o=-0.073,f=-4.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 0:sc= -0.207 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.198 (180deg=-0.198) USER MOD Single : A 86 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0105) 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 2:sc= 1.25 USER MOD Single : A 99 LYS NZ :NH3+ -107:sc= 1.21 (180deg=0.929) USER MOD Single : A 100 LYS NZ :NH3+ 144:sc= 1.12 (180deg=0.639) USER MOD Single : A 102 THR OG1 : rot -37:sc= 0.671 USER MOD Single : A 103 ASN : amide:sc= -0.162 K(o=-0.16,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.843 9.584 3.739 1.00 0.00 N ATOM 2 CA GLY A 1 -11.247 10.032 4.986 1.00 0.00 C ATOM 3 C GLY A 1 -10.664 11.396 4.650 1.00 0.00 C ATOM 4 O GLY A 1 -11.143 11.983 3.677 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.657 8.970 3.944 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.161 10.408 3.190 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.138 9.053 3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.990 10.101 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.476 9.343 5.329 1.00 0.00 H new ATOM 10 N ASP A 2 -9.678 11.867 5.395 1.00 0.00 N ATOM 11 CA ASP A 2 -9.115 13.203 5.248 1.00 0.00 C ATOM 12 C ASP A 2 -7.881 13.115 4.344 1.00 0.00 C ATOM 13 O ASP A 2 -7.987 12.757 3.177 1.00 0.00 O ATOM 14 CB ASP A 2 -8.801 13.807 6.634 1.00 0.00 C ATOM 15 CG ASP A 2 -10.016 14.004 7.534 1.00 0.00 C ATOM 16 OD1 ASP A 2 -11.146 14.029 7.004 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.774 14.142 8.754 1.00 0.00 O ATOM 0 H ASP A 2 -9.236 11.322 6.135 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.832 13.875 4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.089 13.159 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.311 14.770 6.493 1.00 0.00 H new ATOM 22 N VAL A 3 -6.709 13.436 4.896 1.00 0.00 N ATOM 23 CA VAL A 3 -5.398 13.398 4.261 1.00 0.00 C ATOM 24 C VAL A 3 -4.346 13.481 5.373 1.00 0.00 C ATOM 25 O VAL A 3 -3.436 12.656 5.454 1.00 0.00 O ATOM 26 CB VAL A 3 -5.289 14.518 3.205 1.00 0.00 C ATOM 27 CG1 VAL A 3 -5.431 15.944 3.757 1.00 0.00 C ATOM 28 CG2 VAL A 3 -3.982 14.405 2.414 1.00 0.00 C ATOM 0 H VAL A 3 -6.651 13.750 5.865 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.234 12.471 3.712 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.146 14.358 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.340 16.661 2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.406 16.055 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.647 16.130 4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.932 15.207 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.136 14.486 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.947 13.442 1.905 1.00 0.00 H new ATOM 38 N GLU A 4 -4.538 14.437 6.288 1.00 0.00 N ATOM 39 CA GLU A 4 -3.758 14.594 7.502 1.00 0.00 C ATOM 40 C GLU A 4 -3.923 13.353 8.374 1.00 0.00 C ATOM 41 O GLU A 4 -2.942 12.741 8.799 1.00 0.00 O ATOM 42 CB GLU A 4 -4.223 15.851 8.254 1.00 0.00 C ATOM 43 CG GLU A 4 -3.951 17.151 7.481 1.00 0.00 C ATOM 44 CD GLU A 4 -2.469 17.331 7.207 1.00 0.00 C ATOM 45 OE1 GLU A 4 -1.700 17.533 8.173 1.00 0.00 O ATOM 46 OE2 GLU A 4 -2.046 17.144 6.044 1.00 0.00 O ATOM 0 H GLU A 4 -5.268 15.143 6.193 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.703 14.709 7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.291 15.772 8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.719 15.897 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.498 17.137 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.323 18.001 8.053 1.00 0.00 H new ATOM 53 N LYS A 5 -5.177 12.966 8.620 1.00 0.00 N ATOM 54 CA LYS A 5 -5.449 11.709 9.288 1.00 0.00 C ATOM 55 C LYS A 5 -4.796 10.566 8.522 1.00 0.00 C ATOM 56 O LYS A 5 -4.136 9.748 9.144 1.00 0.00 O ATOM 57 CB LYS A 5 -6.948 11.455 9.454 1.00 0.00 C ATOM 58 CG LYS A 5 -7.588 12.428 10.444 1.00 0.00 C ATOM 59 CD LYS A 5 -8.982 11.898 10.811 1.00 0.00 C ATOM 60 CE LYS A 5 -9.740 12.839 11.756 1.00 0.00 C ATOM 61 NZ LYS A 5 -9.008 13.084 13.013 1.00 0.00 N ATOM 0 H LYS A 5 -6.006 13.504 8.367 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.023 11.767 10.290 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.441 11.547 8.486 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.107 10.433 9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.970 12.521 11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.664 13.422 10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.564 11.757 9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.883 10.920 11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.919 13.789 11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.716 12.411 11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.603 13.641 13.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.770 12.175 13.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.134 13.609 12.809 1.00 0.00 H new ATOM 75 N GLY A 6 -4.924 10.519 7.192 1.00 0.00 N ATOM 76 CA GLY A 6 -4.319 9.437 6.423 1.00 0.00 C ATOM 77 C GLY A 6 -2.826 9.322 6.718 1.00 0.00 C ATOM 78 O GLY A 6 -2.365 8.254 7.113 1.00 0.00 O ATOM 0 H GLY A 6 -5.433 11.207 6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.814 8.496 6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.470 9.615 5.358 1.00 0.00 H new ATOM 82 N LYS A 7 -2.064 10.411 6.577 1.00 0.00 N ATOM 83 CA LYS A 7 -0.618 10.341 6.752 1.00 0.00 C ATOM 84 C LYS A 7 -0.210 9.957 8.173 1.00 0.00 C ATOM 85 O LYS A 7 0.767 9.231 8.371 1.00 0.00 O ATOM 86 CB LYS A 7 0.086 11.565 6.143 1.00 0.00 C ATOM 87 CG LYS A 7 0.049 12.741 7.098 1.00 0.00 C ATOM 88 CD LYS A 7 0.377 14.080 6.420 1.00 0.00 C ATOM 89 CE LYS A 7 0.365 15.188 7.484 1.00 0.00 C ATOM 90 NZ LYS A 7 0.300 16.546 6.912 1.00 0.00 N ATOM 0 H LYS A 7 -2.422 11.338 6.345 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.241 9.503 6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.121 11.315 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.397 11.838 5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.941 12.803 7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.759 12.567 7.907 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.353 14.030 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.353 14.297 5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.489 15.038 8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.262 15.102 8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.057 17.208 7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.250 16.841 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.340 16.547 6.092 1.00 0.00 H new ATOM 104 N LYS A 8 -0.979 10.401 9.166 1.00 0.00 N ATOM 105 CA LYS A 8 -0.685 10.097 10.556 1.00 0.00 C ATOM 106 C LYS A 8 -0.971 8.629 10.850 1.00 0.00 C ATOM 107 O LYS A 8 -0.140 7.923 11.419 1.00 0.00 O ATOM 108 CB LYS A 8 -1.528 10.994 11.473 1.00 0.00 C ATOM 109 CG LYS A 8 -1.017 12.440 11.516 1.00 0.00 C ATOM 110 CD LYS A 8 -0.125 12.709 12.739 1.00 0.00 C ATOM 111 CE LYS A 8 1.132 11.822 12.775 1.00 0.00 C ATOM 112 NZ LYS A 8 2.028 12.158 13.901 1.00 0.00 N ATOM 0 H LYS A 8 -1.812 10.974 9.028 1.00 0.00 H new ATOM 0 HA LYS A 8 0.372 10.288 10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.562 10.988 11.130 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.525 10.581 12.482 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.455 12.651 10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.867 13.123 11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.176 13.756 12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.705 12.545 13.647 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.833 10.777 12.852 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.676 11.930 11.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.859 11.533 13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.336 13.148 13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.520 12.030 14.799 1.00 0.00 H new ATOM 126 N ILE A 9 -2.171 8.187 10.486 1.00 0.00 N ATOM 127 CA ILE A 9 -2.679 6.873 10.799 1.00 0.00 C ATOM 128 C ILE A 9 -1.836 5.856 10.035 1.00 0.00 C ATOM 129 O ILE A 9 -1.444 4.828 10.576 1.00 0.00 O ATOM 130 CB ILE A 9 -4.165 6.855 10.416 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.982 7.717 11.398 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.709 5.432 10.436 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.469 7.780 11.032 1.00 0.00 C ATOM 0 H ILE A 9 -2.828 8.755 9.951 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.609 6.619 11.857 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.256 7.261 9.409 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.876 7.313 12.405 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.573 8.727 11.416 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.764 5.442 10.162 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.155 4.820 9.724 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.598 5.014 11.437 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.996 8.400 11.757 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.581 8.211 10.037 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.889 6.774 11.041 1.00 0.00 H new ATOM 145 N PHE A 10 -1.528 6.165 8.778 1.00 0.00 N ATOM 146 CA PHE A 10 -0.578 5.403 7.999 1.00 0.00 C ATOM 147 C PHE A 10 0.696 5.179 8.798 1.00 0.00 C ATOM 148 O PHE A 10 1.000 4.052 9.174 1.00 0.00 O ATOM 149 CB PHE A 10 -0.297 6.177 6.702 1.00 0.00 C ATOM 150 CG PHE A 10 0.848 5.639 5.883 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.650 4.527 5.066 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.151 6.091 6.119 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.750 3.842 4.537 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.254 5.391 5.637 1.00 0.00 C ATOM 155 CZ PHE A 10 3.056 4.259 4.833 1.00 0.00 C ATOM 0 H PHE A 10 -1.936 6.954 8.277 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.982 4.421 7.754 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.198 6.171 6.089 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.089 7.217 6.953 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.352 4.194 4.841 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.304 6.998 6.685 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.592 2.987 3.897 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.254 5.717 5.880 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.903 3.713 4.445 1.00 0.00 H new ATOM 165 N VAL A 11 1.436 6.243 9.099 1.00 0.00 N ATOM 166 CA VAL A 11 2.685 6.104 9.811 1.00 0.00 C ATOM 167 C VAL A 11 2.475 5.329 11.125 1.00 0.00 C ATOM 168 O VAL A 11 3.322 4.521 11.500 1.00 0.00 O ATOM 169 CB VAL A 11 3.343 7.489 9.971 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.289 7.539 11.170 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.105 7.949 8.721 1.00 0.00 C ATOM 0 H VAL A 11 1.187 7.202 8.859 1.00 0.00 H new ATOM 0 HA VAL A 11 3.391 5.500 9.241 1.00 0.00 H new ATOM 0 HB VAL A 11 2.510 8.173 10.133 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.730 8.533 11.244 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.733 7.320 12.082 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.080 6.800 11.041 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.543 8.931 8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.897 7.235 8.494 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.418 8.009 7.877 1.00 0.00 H new ATOM 181 N GLN A 12 1.337 5.527 11.801 1.00 0.00 N ATOM 182 CA GLN A 12 0.991 4.783 13.003 1.00 0.00 C ATOM 183 C GLN A 12 1.027 3.259 12.792 1.00 0.00 C ATOM 184 O GLN A 12 1.479 2.564 13.700 1.00 0.00 O ATOM 185 CB GLN A 12 -0.373 5.245 13.543 1.00 0.00 C ATOM 186 CG GLN A 12 -0.626 4.798 14.989 1.00 0.00 C ATOM 187 CD GLN A 12 -2.101 4.921 15.375 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.990 4.478 14.644 1.00 0.00 O ATOM 189 NE2 GLN A 12 -2.382 5.507 16.536 1.00 0.00 N ATOM 0 H GLN A 12 0.633 6.211 11.524 1.00 0.00 H new ATOM 0 HA GLN A 12 1.755 5.001 13.750 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.430 6.332 13.489 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.163 4.852 12.903 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.304 3.764 15.111 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.022 5.402 15.666 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.628 5.865 17.122 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.351 5.598 16.840 1.00 0.00 H new ATOM 198 N LYS A 13 0.524 2.723 11.664 1.00 0.00 N ATOM 199 CA LYS A 13 0.377 1.265 11.510 1.00 0.00 C ATOM 200 C LYS A 13 0.833 0.654 10.180 1.00 0.00 C ATOM 201 O LYS A 13 0.582 -0.527 9.937 1.00 0.00 O ATOM 202 CB LYS A 13 -1.042 0.826 11.864 1.00 0.00 C ATOM 203 CG LYS A 13 -2.111 1.306 10.886 1.00 0.00 C ATOM 204 CD LYS A 13 -2.960 2.381 11.553 1.00 0.00 C ATOM 205 CE LYS A 13 -3.935 1.826 12.598 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.709 2.911 13.225 1.00 0.00 N ATOM 0 H LYS A 13 0.217 3.268 10.858 1.00 0.00 H new ATOM 0 HA LYS A 13 1.092 0.857 12.224 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.072 -0.263 11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.286 1.195 12.860 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.643 1.703 9.985 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.739 0.470 10.577 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.303 3.108 12.030 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.524 2.915 10.788 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.614 1.116 12.126 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.382 1.280 13.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.312 2.518 13.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.057 3.610 13.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.305 3.372 12.508 1.00 0.00 H new ATOM 220 N CYS A 14 1.499 1.426 9.328 1.00 0.00 N ATOM 221 CA CYS A 14 1.987 0.975 8.033 1.00 0.00 C ATOM 222 C CYS A 14 3.505 1.141 8.012 1.00 0.00 C ATOM 223 O CYS A 14 4.220 0.236 7.597 1.00 0.00 O ATOM 224 CB CYS A 14 1.378 1.772 6.908 1.00 0.00 C ATOM 225 SG CYS A 14 -0.438 1.896 6.868 1.00 0.00 S ATOM 0 H CYS A 14 1.718 2.403 9.524 1.00 0.00 H new ATOM 0 HA CYS A 14 1.706 -0.069 7.890 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.785 2.782 6.950 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.708 1.334 5.966 1.00 0.00 H new ATOM 230 N ALA A 15 4.005 2.303 8.457 1.00 0.00 N ATOM 231 CA ALA A 15 5.409 2.691 8.326 1.00 0.00 C ATOM 232 C ALA A 15 6.403 1.685 8.886 1.00 0.00 C ATOM 233 O ALA A 15 7.490 1.539 8.328 1.00 0.00 O ATOM 234 CB ALA A 15 5.655 4.056 8.943 1.00 0.00 C ATOM 0 H ALA A 15 3.434 3.007 8.924 1.00 0.00 H new ATOM 0 HA ALA A 15 5.589 2.725 7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.706 4.321 8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.038 4.800 8.439 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.397 4.029 10.002 1.00 0.00 H new ATOM 240 N GLN A 16 6.039 0.997 9.970 1.00 0.00 N ATOM 241 CA GLN A 16 6.786 -0.107 10.533 1.00 0.00 C ATOM 242 C GLN A 16 7.298 -1.060 9.444 1.00 0.00 C ATOM 243 O GLN A 16 8.424 -1.542 9.535 1.00 0.00 O ATOM 244 CB GLN A 16 5.854 -0.786 11.546 1.00 0.00 C ATOM 245 CG GLN A 16 6.622 -1.580 12.599 1.00 0.00 C ATOM 246 CD GLN A 16 7.030 -2.982 12.147 1.00 0.00 C ATOM 247 OE1 GLN A 16 6.391 -3.580 11.289 1.00 0.00 O ATOM 248 NE2 GLN A 16 8.080 -3.538 12.743 1.00 0.00 N ATOM 0 H GLN A 16 5.187 1.207 10.490 1.00 0.00 H new ATOM 0 HA GLN A 16 7.690 0.237 11.035 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.244 -0.029 12.039 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.171 -1.452 11.018 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.518 -1.024 12.876 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.008 -1.663 13.496 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.596 -3.020 13.454 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.370 -4.482 12.489 1.00 0.00 H new ATOM 257 N CYS A 17 6.474 -1.293 8.417 1.00 0.00 N ATOM 258 CA CYS A 17 6.816 -2.053 7.226 1.00 0.00 C ATOM 259 C CYS A 17 7.130 -1.135 6.028 1.00 0.00 C ATOM 260 O CYS A 17 7.898 -1.540 5.161 1.00 0.00 O ATOM 261 CB CYS A 17 5.689 -2.998 6.896 1.00 0.00 C ATOM 262 SG CYS A 17 5.391 -4.216 8.219 1.00 0.00 S ATOM 0 H CYS A 17 5.517 -0.941 8.399 1.00 0.00 H new ATOM 0 HA CYS A 17 7.721 -2.624 7.431 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.778 -2.425 6.722 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.918 -3.522 5.968 1.00 0.00 H new ATOM 267 N HIS A 18 6.538 0.067 5.941 1.00 0.00 N ATOM 268 CA HIS A 18 6.596 0.945 4.768 1.00 0.00 C ATOM 269 C HIS A 18 7.001 2.372 5.132 1.00 0.00 C ATOM 270 O HIS A 18 6.178 3.284 5.057 1.00 0.00 O ATOM 271 CB HIS A 18 5.208 1.027 4.128 1.00 0.00 C ATOM 272 CG HIS A 18 4.726 -0.253 3.537 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.045 -0.711 2.284 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.655 -0.960 3.998 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.196 -1.709 2.010 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.342 -1.913 3.019 1.00 0.00 N ATOM 0 H HIS A 18 5.992 0.463 6.706 1.00 0.00 H new ATOM 0 HA HIS A 18 7.339 0.521 4.092 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.493 1.357 4.881 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.225 1.789 3.349 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.786 -0.359 1.678 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.145 -0.814 4.939 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.200 -2.277 1.091 1.00 0.00 H new ATOM 284 N THR A 19 8.252 2.624 5.491 1.00 0.00 N ATOM 285 CA THR A 19 8.683 3.981 5.772 1.00 0.00 C ATOM 286 C THR A 19 8.870 4.745 4.448 1.00 0.00 C ATOM 287 O THR A 19 9.991 4.916 3.968 1.00 0.00 O ATOM 288 CB THR A 19 9.926 3.916 6.664 1.00 0.00 C ATOM 289 OG1 THR A 19 9.629 3.208 7.855 1.00 0.00 O ATOM 290 CG2 THR A 19 10.414 5.303 7.083 1.00 0.00 C ATOM 0 H THR A 19 8.977 1.914 5.593 1.00 0.00 H new ATOM 0 HA THR A 19 7.934 4.547 6.326 1.00 0.00 H new ATOM 0 HB THR A 19 10.700 3.420 6.078 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.763 2.759 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.297 5.203 7.714 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.666 5.883 6.196 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.627 5.813 7.639 1.00 0.00 H new ATOM 298 N VAL A 20 7.757 5.198 3.852 1.00 0.00 N ATOM 299 CA VAL A 20 7.715 6.194 2.791 1.00 0.00 C ATOM 300 C VAL A 20 8.707 7.314 3.120 1.00 0.00 C ATOM 301 O VAL A 20 8.608 7.949 4.167 1.00 0.00 O ATOM 302 CB VAL A 20 6.277 6.720 2.565 1.00 0.00 C ATOM 303 CG1 VAL A 20 5.310 5.576 2.241 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.694 7.517 3.740 1.00 0.00 C ATOM 0 H VAL A 20 6.830 4.862 4.112 1.00 0.00 H new ATOM 0 HA VAL A 20 8.014 5.737 1.848 1.00 0.00 H new ATOM 0 HB VAL A 20 6.375 7.403 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.309 5.978 2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.639 5.067 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.294 4.868 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.685 7.845 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.662 6.886 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.320 8.387 3.936 1.00 0.00 H new ATOM 314 N GLU A 21 9.706 7.482 2.254 1.00 0.00 N ATOM 315 CA GLU A 21 10.861 8.344 2.479 1.00 0.00 C ATOM 316 C GLU A 21 11.642 8.386 1.169 1.00 0.00 C ATOM 317 O GLU A 21 12.001 9.445 0.663 1.00 0.00 O ATOM 318 CB GLU A 21 11.734 7.768 3.609 1.00 0.00 C ATOM 319 CG GLU A 21 12.874 8.712 4.021 1.00 0.00 C ATOM 320 CD GLU A 21 12.470 9.598 5.193 1.00 0.00 C ATOM 321 OE1 GLU A 21 12.453 9.053 6.317 1.00 0.00 O ATOM 322 OE2 GLU A 21 12.201 10.791 4.943 1.00 0.00 O ATOM 0 H GLU A 21 9.733 7.008 1.351 1.00 0.00 H new ATOM 0 HA GLU A 21 10.554 9.346 2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.107 7.562 4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.155 6.816 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.752 8.126 4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.156 9.335 3.173 1.00 0.00 H new ATOM 329 N LYS A 22 11.865 7.193 0.606 1.00 0.00 N ATOM 330 CA LYS A 22 12.491 7.010 -0.693 1.00 0.00 C ATOM 331 C LYS A 22 13.985 7.334 -0.571 1.00 0.00 C ATOM 332 O LYS A 22 14.544 8.148 -1.303 1.00 0.00 O ATOM 333 CB LYS A 22 11.711 7.804 -1.760 1.00 0.00 C ATOM 334 CG LYS A 22 11.551 7.018 -3.062 1.00 0.00 C ATOM 335 CD LYS A 22 12.849 7.023 -3.879 1.00 0.00 C ATOM 336 CE LYS A 22 12.724 6.127 -5.117 1.00 10.00 C ATOM 337 NZ LYS A 22 13.863 6.299 -6.040 1.00 10.00 N ATOM 0 H LYS A 22 11.607 6.315 1.056 1.00 0.00 H new ATOM 0 HA LYS A 22 12.445 5.976 -1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.726 8.063 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.229 8.741 -1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.265 5.991 -2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.745 7.451 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.086 8.042 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.675 6.677 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.664 5.084 -4.805 1.00 10.00 H new ATOM 0 HE3 LYS A 22 11.796 6.358 -5.640 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 13.740 5.676 -6.863 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 13.906 7.288 -6.358 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 14.747 6.054 -5.550 1.00 10.00 H new ATOM 351 N GLY A 23 14.618 6.634 0.372 1.00 0.00 N ATOM 352 CA GLY A 23 15.984 6.857 0.828 1.00 0.00 C ATOM 353 C GLY A 23 16.363 5.799 1.871 1.00 0.00 C ATOM 354 O GLY A 23 17.497 5.315 1.901 1.00 0.00 O ATOM 0 H GLY A 23 14.167 5.860 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.671 6.810 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.075 7.854 1.259 1.00 0.00 H new ATOM 358 N GLY A 24 15.396 5.406 2.711 1.00 0.00 N ATOM 359 CA GLY A 24 15.500 4.211 3.528 1.00 0.00 C ATOM 360 C GLY A 24 15.476 2.944 2.663 1.00 0.00 C ATOM 361 O GLY A 24 15.898 2.947 1.509 1.00 0.00 O ATOM 0 H GLY A 24 14.521 5.916 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.423 4.242 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.677 4.183 4.242 1.00 0.00 H new ATOM 365 N LYS A 25 14.999 1.840 3.237 1.00 0.00 N ATOM 366 CA LYS A 25 14.901 0.545 2.581 1.00 0.00 C ATOM 367 C LYS A 25 13.520 -0.031 2.884 1.00 0.00 C ATOM 368 O LYS A 25 12.809 0.520 3.721 1.00 0.00 O ATOM 369 CB LYS A 25 16.022 -0.392 3.065 1.00 0.00 C ATOM 370 CG LYS A 25 17.405 0.034 2.546 1.00 0.00 C ATOM 371 CD LYS A 25 18.142 0.994 3.495 1.00 0.00 C ATOM 372 CE LYS A 25 19.155 1.835 2.699 1.00 0.00 C ATOM 373 NZ LYS A 25 19.799 2.878 3.523 1.00 0.00 N ATOM 0 H LYS A 25 14.661 1.826 4.199 1.00 0.00 H new ATOM 0 HA LYS A 25 15.023 0.652 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.034 -0.407 4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.810 -1.409 2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.017 -0.855 2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 25 17.289 0.513 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.426 1.647 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.656 0.429 4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.921 1.179 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.649 2.305 1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.472 3.415 2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.073 3.522 3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.306 2.432 4.314 1.00 0.00 H new ATOM 387 N HIS A 26 13.156 -1.109 2.185 1.00 0.00 N ATOM 388 CA HIS A 26 11.836 -1.719 2.257 1.00 0.00 C ATOM 389 C HIS A 26 11.578 -2.246 3.675 1.00 0.00 C ATOM 390 O HIS A 26 10.778 -1.699 4.419 1.00 0.00 O ATOM 391 CB HIS A 26 11.737 -2.828 1.189 1.00 0.00 C ATOM 392 CG HIS A 26 12.134 -2.401 -0.205 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.866 -3.158 -1.095 1.00 0.00 N ATOM 394 CD2 HIS A 26 11.879 -1.196 -0.808 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.043 -2.422 -2.206 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.460 -1.220 -2.077 1.00 0.00 N ATOM 0 H HIS A 26 13.787 -1.588 1.542 1.00 0.00 H new ATOM 0 HA HIS A 26 11.062 -0.981 2.048 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.369 -3.663 1.492 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.712 -3.198 1.163 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.326 -0.374 -0.377 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.581 -2.753 -3.082 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.445 -0.472 -2.770 1.00 0.00 H new ATOM 404 N LYS A 27 12.300 -3.301 4.064 1.00 0.00 N ATOM 405 CA LYS A 27 12.273 -3.852 5.416 1.00 0.00 C ATOM 406 C LYS A 27 10.888 -4.400 5.787 1.00 0.00 C ATOM 407 O LYS A 27 10.377 -4.143 6.874 1.00 0.00 O ATOM 408 CB LYS A 27 12.802 -2.800 6.415 1.00 0.00 C ATOM 409 CG LYS A 27 13.184 -3.377 7.789 1.00 0.00 C ATOM 410 CD LYS A 27 14.692 -3.357 8.096 1.00 0.00 C ATOM 411 CE LYS A 27 15.496 -4.443 7.365 1.00 0.00 C ATOM 412 NZ LYS A 27 15.684 -4.148 5.931 1.00 0.00 N ATOM 0 H LYS A 27 12.929 -3.802 3.436 1.00 0.00 H new ATOM 0 HA LYS A 27 12.938 -4.714 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.675 -2.310 5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.042 -2.032 6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.662 -2.814 8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.828 -4.406 7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.094 -2.380 7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.835 -3.476 9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.471 -4.549 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.985 -5.400 7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.643 -4.427 5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.986 -4.679 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.556 -3.129 5.766 1.00 0.00 H new ATOM 426 N THR A 28 10.349 -5.261 4.918 1.00 0.00 N ATOM 427 CA THR A 28 9.110 -6.024 5.091 1.00 0.00 C ATOM 428 C THR A 28 7.900 -5.302 4.492 1.00 0.00 C ATOM 429 O THR A 28 6.783 -5.779 4.637 1.00 0.00 O ATOM 430 CB THR A 28 8.859 -6.513 6.538 1.00 0.00 C ATOM 431 OG1 THR A 28 10.082 -6.809 7.184 1.00 0.00 O ATOM 432 CG2 THR A 28 8.010 -7.792 6.594 1.00 0.00 C ATOM 0 H THR A 28 10.794 -5.455 4.021 1.00 0.00 H new ATOM 0 HA THR A 28 9.255 -6.938 4.516 1.00 0.00 H new ATOM 0 HB THR A 28 8.328 -5.700 7.033 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.904 -7.115 8.098 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.866 -8.088 7.633 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.040 -7.606 6.132 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.520 -8.591 6.056 1.00 0.00 H new ATOM 440 N GLY A 29 8.110 -4.217 3.747 1.00 0.00 N ATOM 441 CA GLY A 29 7.098 -3.608 2.900 1.00 0.00 C ATOM 442 C GLY A 29 7.838 -2.726 1.899 1.00 0.00 C ATOM 443 O GLY A 29 8.754 -2.018 2.304 1.00 0.00 O ATOM 0 H GLY A 29 9.007 -3.732 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.513 -4.371 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.400 -3.018 3.494 1.00 0.00 H new ATOM 447 N PRO A 30 7.552 -2.771 0.588 1.00 0.00 N ATOM 448 CA PRO A 30 8.195 -1.848 -0.327 1.00 0.00 C ATOM 449 C PRO A 30 7.754 -0.433 0.040 1.00 0.00 C ATOM 450 O PRO A 30 6.555 -0.160 0.059 1.00 0.00 O ATOM 451 CB PRO A 30 7.752 -2.232 -1.741 1.00 0.00 C ATOM 452 CG PRO A 30 7.009 -3.560 -1.586 1.00 0.00 C ATOM 453 CD PRO A 30 6.614 -3.630 -0.111 1.00 0.00 C ATOM 0 HA PRO A 30 9.283 -1.890 -0.271 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.105 -1.468 -2.171 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.609 -2.336 -2.407 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.131 -3.597 -2.231 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.644 -4.401 -1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.588 -3.291 0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.668 -4.653 0.261 1.00 0.00 H new ATOM 461 N ASN A 31 8.688 0.465 0.362 1.00 0.00 N ATOM 462 CA ASN A 31 8.354 1.865 0.586 1.00 0.00 C ATOM 463 C ASN A 31 7.556 2.386 -0.604 1.00 0.00 C ATOM 464 O ASN A 31 7.937 2.189 -1.758 1.00 0.00 O ATOM 465 CB ASN A 31 9.612 2.706 0.805 1.00 0.00 C ATOM 466 CG ASN A 31 10.307 2.349 2.112 1.00 0.00 C ATOM 467 OD1 ASN A 31 9.678 1.922 3.073 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.626 2.477 2.140 1.00 0.00 N ATOM 0 H ASN A 31 9.678 0.244 0.472 1.00 0.00 H new ATOM 0 HA ASN A 31 7.750 1.944 1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.300 2.555 -0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.347 3.763 0.811 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.146 2.217 2.978 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.121 2.836 1.323 1.00 0.00 H new ATOM 475 N LEU A 32 6.420 3.011 -0.308 1.00 0.00 N ATOM 476 CA LEU A 32 5.358 3.265 -1.272 1.00 0.00 C ATOM 477 C LEU A 32 5.698 4.499 -2.119 1.00 0.00 C ATOM 478 O LEU A 32 5.034 5.527 -2.047 1.00 0.00 O ATOM 479 CB LEU A 32 4.004 3.382 -0.549 1.00 0.00 C ATOM 480 CG LEU A 32 3.704 2.260 0.462 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.435 2.599 1.246 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.459 0.932 -0.262 1.00 0.00 C ATOM 0 H LEU A 32 6.209 3.361 0.627 1.00 0.00 H new ATOM 0 HA LEU A 32 5.273 2.425 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.970 4.338 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.211 3.398 -1.296 1.00 0.00 H new ATOM 0 HG LEU A 32 4.562 2.170 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.225 1.803 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.577 3.538 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.597 2.698 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.249 0.152 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.608 1.036 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.345 0.662 -0.836 1.00 0.00 H new ATOM 494 N HIS A 33 6.757 4.376 -2.923 1.00 0.00 N ATOM 495 CA HIS A 33 7.324 5.417 -3.771 1.00 0.00 C ATOM 496 C HIS A 33 6.280 5.997 -4.728 1.00 0.00 C ATOM 497 O HIS A 33 6.028 7.197 -4.732 1.00 0.00 O ATOM 498 CB HIS A 33 8.506 4.791 -4.532 1.00 0.00 C ATOM 499 CG HIS A 33 8.987 5.540 -5.751 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.393 4.956 -6.931 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.120 6.897 -5.896 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.774 5.939 -7.762 1.00 0.00 C ATOM 503 NE2 HIS A 33 9.647 7.135 -7.168 1.00 0.00 N ATOM 0 H HIS A 33 7.267 3.496 -3.001 1.00 0.00 H new ATOM 0 HA HIS A 33 7.666 6.255 -3.164 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.343 4.689 -3.841 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.221 3.785 -4.839 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.864 7.646 -5.161 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.133 5.788 -8.769 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.888 8.042 -7.567 1.00 0.00 H new ATOM 511 N GLY A 34 5.731 5.139 -5.584 1.00 0.00 N ATOM 512 CA GLY A 34 4.792 5.511 -6.623 1.00 0.00 C ATOM 513 C GLY A 34 3.795 4.375 -6.717 1.00 0.00 C ATOM 514 O GLY A 34 4.228 3.243 -6.934 1.00 0.00 O ATOM 0 H GLY A 34 5.937 4.140 -5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.292 6.448 -6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.303 5.660 -7.574 1.00 0.00 H new ATOM 518 N LEU A 35 2.508 4.649 -6.491 1.00 0.00 N ATOM 519 CA LEU A 35 1.454 3.642 -6.472 1.00 0.00 C ATOM 520 C LEU A 35 0.501 3.933 -7.633 1.00 0.00 C ATOM 521 O LEU A 35 0.459 3.209 -8.628 1.00 0.00 O ATOM 522 CB LEU A 35 0.696 3.632 -5.131 1.00 0.00 C ATOM 523 CG LEU A 35 1.557 3.439 -3.875 1.00 0.00 C ATOM 524 CD1 LEU A 35 2.439 2.187 -3.977 1.00 0.00 C ATOM 525 CD2 LEU A 35 2.357 4.711 -3.556 1.00 0.00 C ATOM 0 H LEU A 35 2.167 5.594 -6.314 1.00 0.00 H new ATOM 0 HA LEU A 35 1.898 2.653 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.154 4.573 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.049 2.837 -5.163 1.00 0.00 H new ATOM 0 HG LEU A 35 0.890 3.267 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.033 2.085 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.808 1.306 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.103 2.279 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.959 4.548 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.011 4.949 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.670 5.540 -3.385 1.00 0.00 H new ATOM 537 N PHE A 36 -0.230 5.040 -7.495 1.00 0.00 N ATOM 538 CA PHE A 36 -1.298 5.471 -8.376 1.00 0.00 C ATOM 539 C PHE A 36 -0.739 5.742 -9.761 1.00 0.00 C ATOM 540 O PHE A 36 -0.101 6.770 -9.976 1.00 0.00 O ATOM 541 CB PHE A 36 -1.977 6.710 -7.784 1.00 0.00 C ATOM 542 CG PHE A 36 -2.701 6.435 -6.478 1.00 0.00 C ATOM 543 CD1 PHE A 36 -1.994 6.350 -5.262 1.00 0.00 C ATOM 544 CD2 PHE A 36 -4.076 6.136 -6.498 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.652 5.966 -4.083 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.737 5.807 -5.306 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.040 5.772 -4.094 1.00 0.00 C ATOM 0 H PHE A 36 -0.079 5.689 -6.723 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.050 4.687 -8.469 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.226 7.483 -7.619 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.688 7.106 -8.509 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.939 6.582 -5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.621 6.160 -7.430 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.091 5.821 -3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.792 5.579 -5.324 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.570 5.596 -3.169 1.00 0.00 H new ATOM 557 N GLY A 37 -0.980 4.822 -10.695 1.00 0.00 N ATOM 558 CA GLY A 37 -0.494 4.979 -12.057 1.00 0.00 C ATOM 559 C GLY A 37 0.908 4.395 -12.254 1.00 0.00 C ATOM 560 O GLY A 37 1.494 4.588 -13.316 1.00 0.00 O ATOM 0 H GLY A 37 -1.507 3.965 -10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.186 4.492 -12.744 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.482 6.038 -12.314 1.00 0.00 H new ATOM 564 N ARG A 38 1.451 3.659 -11.273 1.00 0.00 N ATOM 565 CA ARG A 38 2.643 2.861 -11.494 1.00 0.00 C ATOM 566 C ARG A 38 2.240 1.642 -12.333 1.00 0.00 C ATOM 567 O ARG A 38 1.087 1.483 -12.714 1.00 0.00 O ATOM 568 CB ARG A 38 3.234 2.446 -10.135 1.00 0.00 C ATOM 569 CG ARG A 38 4.738 2.115 -10.211 1.00 0.00 C ATOM 570 CD ARG A 38 5.089 0.815 -9.468 1.00 0.00 C ATOM 571 NE ARG A 38 5.258 1.092 -8.036 1.00 0.00 N ATOM 572 CZ ARG A 38 5.190 0.243 -7.002 1.00 0.00 C ATOM 573 NH1 ARG A 38 4.797 -1.023 -7.157 1.00 0.00 N ATOM 574 NH2 ARG A 38 5.522 0.693 -5.792 1.00 0.00 N ATOM 0 H ARG A 38 1.077 3.607 -10.325 1.00 0.00 H new ATOM 0 HA ARG A 38 3.409 3.424 -12.028 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.080 3.251 -9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.694 1.576 -9.760 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.035 2.025 -11.256 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.311 2.939 -9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.300 0.077 -9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.005 0.388 -9.876 1.00 0.00 H new ATOM 0 HE ARG A 38 5.454 2.064 -7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.539 -1.367 -8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.755 -1.646 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.818 1.662 -5.672 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.480 0.069 -4.986 1.00 0.00 H new ATOM 588 N LYS A 39 3.178 0.741 -12.587 1.00 0.00 N ATOM 589 CA LYS A 39 2.929 -0.591 -13.081 1.00 0.00 C ATOM 590 C LYS A 39 3.253 -1.536 -11.936 1.00 0.00 C ATOM 591 O LYS A 39 4.417 -1.685 -11.574 1.00 0.00 O ATOM 592 CB LYS A 39 3.844 -0.839 -14.285 1.00 0.00 C ATOM 593 CG LYS A 39 3.479 0.043 -15.486 1.00 0.00 C ATOM 594 CD LYS A 39 2.002 -0.154 -15.847 1.00 0.00 C ATOM 595 CE LYS A 39 1.742 0.063 -17.342 1.00 0.00 C ATOM 596 NZ LYS A 39 0.334 -0.223 -17.688 1.00 0.00 N ATOM 0 H LYS A 39 4.170 0.933 -12.447 1.00 0.00 H new ATOM 0 HA LYS A 39 1.899 -0.737 -13.406 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.878 -0.648 -13.998 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.782 -1.888 -14.575 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.668 1.090 -15.250 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.108 -0.211 -16.339 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.692 -1.161 -15.568 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.392 0.540 -15.269 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.983 1.092 -17.610 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.400 -0.581 -17.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.188 -0.067 -18.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.113 -1.212 -17.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.291 0.409 -17.148 1.00 0.00 H new ATOM 610 N THR A 40 2.239 -2.147 -11.325 1.00 0.00 N ATOM 611 CA THR A 40 2.461 -3.283 -10.476 1.00 0.00 C ATOM 612 C THR A 40 2.885 -4.462 -11.359 1.00 0.00 C ATOM 613 O THR A 40 2.854 -4.390 -12.586 1.00 0.00 O ATOM 614 CB THR A 40 1.134 -3.540 -9.770 1.00 0.00 C ATOM 615 OG1 THR A 40 0.512 -2.302 -9.450 1.00 0.00 O ATOM 616 CG2 THR A 40 1.307 -4.369 -8.508 1.00 0.00 C ATOM 0 H THR A 40 1.263 -1.864 -11.411 1.00 0.00 H new ATOM 0 HA THR A 40 3.247 -3.129 -9.736 1.00 0.00 H new ATOM 0 HB THR A 40 0.504 -4.109 -10.453 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.663 -2.095 -8.504 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.335 -4.526 -8.040 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.747 -5.333 -8.763 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.963 -3.843 -7.814 1.00 0.00 H new ATOM 624 N GLY A 41 3.266 -5.568 -10.730 1.00 0.00 N ATOM 625 CA GLY A 41 3.697 -6.757 -11.435 1.00 0.00 C ATOM 626 C GLY A 41 5.015 -6.536 -12.185 1.00 0.00 C ATOM 627 O GLY A 41 5.208 -7.080 -13.271 1.00 0.00 O ATOM 0 H GLY A 41 3.283 -5.660 -9.714 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.817 -7.575 -10.725 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.924 -7.059 -12.142 1.00 0.00 H new ATOM 631 N GLN A 42 5.916 -5.746 -11.580 1.00 0.00 N ATOM 632 CA GLN A 42 7.282 -5.467 -12.016 1.00 0.00 C ATOM 633 C GLN A 42 7.857 -4.335 -11.158 1.00 0.00 C ATOM 634 O GLN A 42 7.429 -3.190 -11.271 1.00 0.00 O ATOM 635 CB GLN A 42 7.355 -5.106 -13.513 1.00 0.00 C ATOM 636 CG GLN A 42 7.929 -6.267 -14.342 1.00 0.00 C ATOM 637 CD GLN A 42 7.389 -6.258 -15.765 1.00 0.00 C ATOM 638 OE1 GLN A 42 8.097 -5.934 -16.712 1.00 0.00 O ATOM 639 NE2 GLN A 42 6.122 -6.628 -15.914 1.00 0.00 N ATOM 0 H GLN A 42 5.688 -5.255 -10.715 1.00 0.00 H new ATOM 0 HA GLN A 42 7.875 -6.372 -11.886 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.359 -4.854 -13.877 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.976 -4.220 -13.645 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.016 -6.197 -14.364 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.681 -7.214 -13.864 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.568 -6.890 -15.099 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.703 -6.650 -16.844 1.00 0.00 H new ATOM 648 N ALA A 43 8.845 -4.653 -10.320 1.00 0.00 N ATOM 649 CA ALA A 43 9.737 -3.684 -9.690 1.00 0.00 C ATOM 650 C ALA A 43 11.173 -4.064 -10.050 1.00 0.00 C ATOM 651 O ALA A 43 11.468 -5.259 -10.118 1.00 0.00 O ATOM 652 CB ALA A 43 9.575 -3.710 -8.166 1.00 0.00 C ATOM 0 H ALA A 43 9.050 -5.616 -10.055 1.00 0.00 H new ATOM 0 HA ALA A 43 9.497 -2.681 -10.043 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.249 -2.981 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.546 -3.463 -7.905 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.815 -4.705 -7.792 1.00 0.00 H new ATOM 658 N PRO A 44 12.081 -3.094 -10.247 1.00 0.00 N ATOM 659 CA PRO A 44 13.489 -3.366 -10.483 1.00 0.00 C ATOM 660 C PRO A 44 14.153 -3.815 -9.175 1.00 0.00 C ATOM 661 O PRO A 44 14.938 -3.080 -8.580 1.00 0.00 O ATOM 662 CB PRO A 44 14.057 -2.049 -11.028 1.00 0.00 C ATOM 663 CG PRO A 44 13.193 -0.991 -10.341 1.00 0.00 C ATOM 664 CD PRO A 44 11.821 -1.662 -10.269 1.00 0.00 C ATOM 0 HA PRO A 44 13.667 -4.175 -11.192 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.112 -1.931 -10.780 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.976 -1.993 -12.114 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.573 -0.741 -9.350 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.159 -0.064 -10.913 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.279 -1.349 -9.377 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.207 -1.389 -11.127 1.00 0.00 H new ATOM 672 N GLY A 45 13.825 -5.028 -8.722 1.00 0.00 N ATOM 673 CA GLY A 45 14.382 -5.637 -7.526 1.00 0.00 C ATOM 674 C GLY A 45 13.288 -6.373 -6.759 1.00 0.00 C ATOM 675 O GLY A 45 12.828 -7.430 -7.192 1.00 0.00 O ATOM 0 H GLY A 45 13.146 -5.624 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.177 -6.331 -7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.830 -4.871 -6.893 1.00 0.00 H new ATOM 679 N PHE A 46 12.856 -5.820 -5.621 1.00 0.00 N ATOM 680 CA PHE A 46 11.904 -6.489 -4.743 1.00 0.00 C ATOM 681 C PHE A 46 10.503 -6.347 -5.322 1.00 0.00 C ATOM 682 O PHE A 46 9.687 -5.567 -4.833 1.00 0.00 O ATOM 683 CB PHE A 46 11.991 -5.948 -3.306 1.00 0.00 C ATOM 684 CG PHE A 46 10.960 -6.502 -2.326 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.550 -7.851 -2.383 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.313 -5.627 -1.430 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.481 -8.300 -1.587 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.304 -6.103 -0.577 1.00 0.00 C ATOM 689 CZ PHE A 46 8.874 -7.434 -0.667 1.00 0.00 C ATOM 0 H PHE A 46 13.156 -4.904 -5.289 1.00 0.00 H new ATOM 0 HA PHE A 46 12.151 -7.549 -4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 46 12.986 -6.162 -2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.888 -4.863 -3.339 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.059 -8.541 -3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.595 -4.585 -1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.127 -9.315 -1.685 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.858 -5.441 0.151 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.078 -7.791 -0.030 1.00 0.00 H new ATOM 699 N THR A 47 10.203 -7.132 -6.352 1.00 0.00 N ATOM 700 CA THR A 47 8.877 -7.173 -6.947 1.00 0.00 C ATOM 701 C THR A 47 7.922 -8.039 -6.108 1.00 0.00 C ATOM 702 O THR A 47 7.164 -8.848 -6.637 1.00 0.00 O ATOM 703 CB THR A 47 9.001 -7.499 -8.442 1.00 0.00 C ATOM 704 OG1 THR A 47 7.833 -7.146 -9.161 1.00 0.00 O ATOM 705 CG2 THR A 47 9.396 -8.943 -8.729 1.00 0.00 C ATOM 0 H THR A 47 10.875 -7.757 -6.796 1.00 0.00 H new ATOM 0 HA THR A 47 8.391 -6.197 -6.922 1.00 0.00 H new ATOM 0 HB THR A 47 9.825 -6.880 -8.796 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.046 -7.517 -8.710 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.463 -9.095 -9.806 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.363 -9.153 -8.272 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.645 -9.615 -8.314 1.00 0.00 H new ATOM 713 N TYR A 48 7.909 -7.782 -4.795 1.00 0.00 N ATOM 714 CA TYR A 48 6.899 -8.258 -3.861 1.00 0.00 C ATOM 715 C TYR A 48 6.864 -9.796 -3.786 1.00 0.00 C ATOM 716 O TYR A 48 7.851 -10.442 -4.139 1.00 0.00 O ATOM 717 CB TYR A 48 5.544 -7.601 -4.172 1.00 0.00 C ATOM 718 CG TYR A 48 5.526 -6.434 -5.145 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.263 -5.265 -4.882 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.866 -6.577 -6.378 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.385 -4.273 -5.871 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.907 -5.540 -7.319 1.00 0.00 C ATOM 723 CZ TYR A 48 5.669 -4.391 -7.073 1.00 0.00 C ATOM 724 OH TYR A 48 5.819 -3.475 -8.071 1.00 0.00 O ATOM 0 H TYR A 48 8.629 -7.217 -4.345 1.00 0.00 H new ATOM 0 HA TYR A 48 7.166 -7.948 -2.851 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.880 -8.372 -4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.115 -7.258 -3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.735 -5.129 -3.920 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.327 -7.486 -6.600 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.029 -3.421 -5.706 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.348 -5.627 -8.239 1.00 0.00 H new ATOM 0 HH TYR A 48 5.246 -3.719 -8.827 1.00 0.00 H new ATOM 734 N THR A 49 5.766 -10.402 -3.311 1.00 0.00 N ATOM 735 CA THR A 49 5.543 -11.827 -3.552 1.00 0.00 C ATOM 736 C THR A 49 5.153 -12.011 -5.014 1.00 0.00 C ATOM 737 O THR A 49 4.654 -11.080 -5.633 1.00 0.00 O ATOM 738 CB THR A 49 4.437 -12.413 -2.658 1.00 0.00 C ATOM 739 OG1 THR A 49 3.169 -11.862 -2.964 1.00 0.00 O ATOM 740 CG2 THR A 49 4.748 -12.223 -1.175 1.00 0.00 C ATOM 0 H THR A 49 5.036 -9.937 -2.771 1.00 0.00 H new ATOM 0 HA THR A 49 6.465 -12.357 -3.313 1.00 0.00 H new ATOM 0 HB THR A 49 4.404 -13.483 -2.866 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.152 -10.917 -2.706 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.943 -12.650 -0.577 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.685 -12.724 -0.933 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.838 -11.159 -0.955 1.00 0.00 H new ATOM 748 N ASP A 50 5.301 -13.226 -5.537 1.00 0.00 N ATOM 749 CA ASP A 50 4.719 -13.701 -6.785 1.00 0.00 C ATOM 750 C ASP A 50 3.222 -13.424 -6.847 1.00 0.00 C ATOM 751 O ASP A 50 2.723 -13.087 -7.912 1.00 0.00 O ATOM 752 CB ASP A 50 4.988 -15.208 -6.894 1.00 0.00 C ATOM 753 CG ASP A 50 4.409 -15.964 -5.702 1.00 0.00 C ATOM 754 OD1 ASP A 50 4.828 -15.613 -4.574 1.00 0.00 O ATOM 755 OD2 ASP A 50 3.539 -16.824 -5.936 1.00 0.00 O ATOM 0 H ASP A 50 5.861 -13.942 -5.075 1.00 0.00 H new ATOM 0 HA ASP A 50 5.176 -13.170 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.552 -15.591 -7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.062 -15.384 -6.952 1.00 0.00 H new ATOM 760 N ALA A 51 2.488 -13.540 -5.744 1.00 0.00 N ATOM 761 CA ALA A 51 1.042 -13.365 -5.777 1.00 0.00 C ATOM 762 C ALA A 51 0.643 -11.932 -6.141 1.00 0.00 C ATOM 763 O ALA A 51 -0.363 -11.721 -6.820 1.00 0.00 O ATOM 764 CB ALA A 51 0.453 -13.828 -4.442 1.00 0.00 C ATOM 0 H ALA A 51 2.869 -13.753 -4.822 1.00 0.00 H new ATOM 0 HA ALA A 51 0.623 -13.984 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.629 -13.700 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.692 -14.880 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.876 -13.234 -3.632 1.00 0.00 H new ATOM 770 N ASN A 52 1.441 -10.948 -5.724 1.00 0.00 N ATOM 771 CA ASN A 52 1.288 -9.563 -6.163 1.00 0.00 C ATOM 772 C ASN A 52 1.960 -9.372 -7.531 1.00 0.00 C ATOM 773 O ASN A 52 1.377 -8.773 -8.434 1.00 0.00 O ATOM 774 CB ASN A 52 1.869 -8.648 -5.083 1.00 0.00 C ATOM 775 CG ASN A 52 1.804 -7.151 -5.385 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.377 -6.721 -6.449 1.00 0.00 O ATOM 777 ND2 ASN A 52 2.246 -6.329 -4.441 1.00 0.00 N ATOM 0 H ASN A 52 2.212 -11.091 -5.072 1.00 0.00 H new ATOM 0 HA ASN A 52 0.237 -9.306 -6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.340 -8.836 -4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.911 -8.923 -4.920 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.233 -5.321 -4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.598 -6.706 -3.561 1.00 0.00 H new ATOM 784 N LYS A 53 3.167 -9.919 -7.725 1.00 0.00 N ATOM 785 CA LYS A 53 3.923 -9.773 -8.967 1.00 0.00 C ATOM 786 C LYS A 53 3.085 -10.254 -10.153 1.00 0.00 C ATOM 787 O LYS A 53 3.121 -9.692 -11.243 1.00 0.00 O ATOM 788 CB LYS A 53 5.311 -10.451 -8.913 1.00 0.00 C ATOM 789 CG LYS A 53 5.490 -11.630 -9.889 1.00 0.00 C ATOM 790 CD LYS A 53 6.901 -12.229 -9.817 1.00 0.00 C ATOM 791 CE LYS A 53 7.811 -11.576 -10.870 1.00 0.00 C ATOM 792 NZ LYS A 53 9.156 -12.187 -10.895 1.00 0.00 N ATOM 0 H LYS A 53 3.646 -10.478 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 53 4.131 -8.712 -9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.074 -9.702 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.487 -10.807 -7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.756 -12.403 -9.661 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.292 -11.292 -10.906 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.318 -12.077 -8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.856 -13.305 -9.983 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.352 -11.670 -11.854 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.901 -10.510 -10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.737 -11.718 -11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.605 -12.075 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.073 -13.199 -11.120 1.00 0.00 H new ATOM 806 N ASN A 54 2.337 -11.331 -9.935 1.00 0.00 N ATOM 807 CA ASN A 54 1.539 -11.975 -10.954 1.00 0.00 C ATOM 808 C ASN A 54 0.383 -11.066 -11.396 1.00 0.00 C ATOM 809 O ASN A 54 -0.259 -11.324 -12.410 1.00 0.00 O ATOM 810 CB ASN A 54 1.000 -13.305 -10.411 1.00 0.00 C ATOM 811 CG ASN A 54 0.197 -14.069 -11.460 1.00 0.00 C ATOM 812 OD1 ASN A 54 0.688 -14.336 -12.550 1.00 0.00 O ATOM 813 ND2 ASN A 54 -1.036 -14.451 -11.135 1.00 0.00 N ATOM 0 H ASN A 54 2.272 -11.784 -9.024 1.00 0.00 H new ATOM 0 HA ASN A 54 2.164 -12.168 -11.826 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.832 -13.922 -10.072 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.371 -13.113 -9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.598 -14.981 -11.801 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.419 -14.214 -10.220 1.00 0.00 H new ATOM 820 N LYS A 55 0.059 -10.041 -10.598 1.00 0.00 N ATOM 821 CA LYS A 55 -1.242 -9.382 -10.658 1.00 0.00 C ATOM 822 C LYS A 55 -1.286 -8.274 -11.714 1.00 0.00 C ATOM 823 O LYS A 55 -2.344 -8.008 -12.276 1.00 0.00 O ATOM 824 CB LYS A 55 -1.625 -8.907 -9.248 1.00 0.00 C ATOM 825 CG LYS A 55 -3.144 -8.904 -9.000 1.00 0.00 C ATOM 826 CD LYS A 55 -3.387 -8.963 -7.487 1.00 0.00 C ATOM 827 CE LYS A 55 -4.865 -9.103 -7.085 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.351 -10.498 -7.092 1.00 0.00 N ATOM 0 H LYS A 55 0.690 -9.651 -9.898 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.996 -10.096 -10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.145 -9.551 -8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.236 -7.901 -9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.595 -8.006 -9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.611 -9.757 -9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.830 -9.804 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.983 -8.059 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.003 -8.684 -6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.476 -8.511 -7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.851 -10.687 -7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.544 -11.147 -7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.002 -10.643 -6.294 1.00 0.00 H new ATOM 842 N GLY A 56 -0.146 -7.629 -11.990 1.00 0.00 N ATOM 843 CA GLY A 56 0.012 -6.739 -13.139 1.00 0.00 C ATOM 844 C GLY A 56 -0.952 -5.549 -13.163 1.00 0.00 C ATOM 845 O GLY A 56 -1.316 -5.069 -14.235 1.00 0.00 O ATOM 0 H GLY A 56 0.694 -7.712 -11.418 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.034 -6.361 -13.151 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.125 -7.319 -14.052 1.00 0.00 H new ATOM 849 N ILE A 57 -1.355 -5.058 -11.988 1.00 0.00 N ATOM 850 CA ILE A 57 -2.231 -3.898 -11.857 1.00 0.00 C ATOM 851 C ILE A 57 -1.428 -2.583 -11.938 1.00 0.00 C ATOM 852 O ILE A 57 -0.358 -2.532 -12.547 1.00 0.00 O ATOM 853 CB ILE A 57 -3.116 -4.060 -10.604 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.306 -4.327 -9.331 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.141 -5.181 -10.825 1.00 0.00 C ATOM 856 CD1 ILE A 57 -2.982 -3.755 -8.091 1.00 0.00 C ATOM 0 H ILE A 57 -1.077 -5.461 -11.093 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.919 -3.838 -12.700 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.632 -3.111 -10.455 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.171 -5.401 -9.207 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.313 -3.891 -9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.761 -5.288 -9.935 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.772 -4.934 -11.679 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.619 -6.118 -11.018 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.372 -3.968 -7.213 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.093 -2.676 -8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.965 -4.211 -7.969 1.00 0.00 H new ATOM 868 N THR A 58 -1.948 -1.477 -11.398 1.00 0.00 N ATOM 869 CA THR A 58 -1.422 -0.132 -11.588 1.00 0.00 C ATOM 870 C THR A 58 -1.734 0.690 -10.319 1.00 0.00 C ATOM 871 O THR A 58 -2.001 1.890 -10.378 1.00 0.00 O ATOM 872 CB THR A 58 -2.032 0.355 -12.929 1.00 0.00 C ATOM 873 OG1 THR A 58 -1.353 -0.291 -13.995 1.00 0.00 O ATOM 874 CG2 THR A 58 -2.070 1.853 -13.221 1.00 0.00 C ATOM 0 H THR A 58 -2.773 -1.499 -10.798 1.00 0.00 H new ATOM 0 HA THR A 58 -0.340 -0.045 -11.688 1.00 0.00 H new ATOM 0 HB THR A 58 -3.085 0.091 -12.832 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.729 0.006 -14.850 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.526 2.022 -14.196 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.656 2.359 -12.454 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.055 2.249 -13.222 1.00 0.00 H new ATOM 882 N TRP A 59 -1.709 -0.012 -9.170 1.00 0.00 N ATOM 883 CA TRP A 59 -2.141 0.410 -7.835 1.00 0.00 C ATOM 884 C TRP A 59 -3.002 1.672 -7.817 1.00 0.00 C ATOM 885 O TRP A 59 -2.581 2.711 -7.318 1.00 0.00 O ATOM 886 CB TRP A 59 -0.942 0.505 -6.885 1.00 0.00 C ATOM 887 CG TRP A 59 -0.414 -0.804 -6.400 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.851 -1.247 -6.551 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.107 -1.824 -5.620 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.967 -2.500 -5.992 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.213 -2.913 -5.406 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.395 -1.927 -5.047 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.592 -4.063 -4.696 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.763 -3.054 -4.288 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.873 -4.129 -4.129 1.00 0.00 C ATOM 0 H TRP A 59 -1.355 -0.969 -9.157 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.809 -0.371 -7.471 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.138 1.038 -7.392 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.229 1.106 -6.022 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.649 -0.703 -7.035 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.822 -3.056 -6.009 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.108 -1.129 -5.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.096 -4.889 -4.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.738 -3.092 -3.824 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.174 -5.004 -3.572 1.00 0.00 H new ATOM 906 N LYS A 60 -4.231 1.553 -8.322 1.00 0.00 N ATOM 907 CA LYS A 60 -5.174 2.662 -8.387 1.00 0.00 C ATOM 908 C LYS A 60 -6.097 2.673 -7.161 1.00 0.00 C ATOM 909 O LYS A 60 -6.090 1.733 -6.355 1.00 0.00 O ATOM 910 CB LYS A 60 -5.981 2.569 -9.693 1.00 0.00 C ATOM 911 CG LYS A 60 -6.704 1.222 -9.849 1.00 0.00 C ATOM 912 CD LYS A 60 -6.056 0.315 -10.907 1.00 0.00 C ATOM 913 CE LYS A 60 -6.544 0.657 -12.324 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.937 0.222 -12.567 1.00 0.00 N ATOM 0 H LYS A 60 -4.598 0.679 -8.698 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.621 3.602 -8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.714 3.375 -9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.312 2.718 -10.540 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.710 0.705 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.744 1.403 -10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.972 0.418 -10.860 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.287 -0.727 -10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.471 1.733 -12.479 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.887 0.184 -13.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.442 0.957 -13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.934 -0.663 -13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.415 0.065 -11.657 1.00 0.00 H new ATOM 928 N GLU A 61 -6.961 3.694 -7.086 1.00 0.00 N ATOM 929 CA GLU A 61 -7.985 3.925 -6.063 1.00 0.00 C ATOM 930 C GLU A 61 -9.162 2.940 -6.136 1.00 0.00 C ATOM 931 O GLU A 61 -10.310 3.301 -5.894 1.00 0.00 O ATOM 932 CB GLU A 61 -8.484 5.380 -6.154 1.00 0.00 C ATOM 933 CG GLU A 61 -8.939 5.807 -7.561 1.00 0.00 C ATOM 934 CD GLU A 61 -9.477 7.234 -7.548 1.00 0.00 C ATOM 935 OE1 GLU A 61 -8.787 8.088 -6.947 1.00 0.00 O ATOM 936 OE2 GLU A 61 -10.548 7.448 -8.152 1.00 0.00 O ATOM 0 H GLU A 61 -6.961 4.432 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.514 3.750 -5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.315 5.511 -5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.687 6.046 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.102 5.736 -8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.711 5.126 -7.921 1.00 0.00 H new ATOM 943 N GLU A 62 -8.861 1.678 -6.423 1.00 0.00 N ATOM 944 CA GLU A 62 -9.816 0.591 -6.515 1.00 0.00 C ATOM 945 C GLU A 62 -9.131 -0.613 -5.878 1.00 0.00 C ATOM 946 O GLU A 62 -9.567 -1.166 -4.870 1.00 0.00 O ATOM 947 CB GLU A 62 -10.155 0.317 -7.993 1.00 0.00 C ATOM 948 CG GLU A 62 -10.374 1.590 -8.828 1.00 0.00 C ATOM 949 CD GLU A 62 -10.622 1.247 -10.293 1.00 0.00 C ATOM 950 OE1 GLU A 62 -9.812 0.455 -10.827 1.00 0.00 O ATOM 951 OE2 GLU A 62 -11.572 1.798 -10.880 1.00 0.00 O ATOM 0 H GLU A 62 -7.903 1.377 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.754 0.821 -6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.348 -0.264 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.054 -0.297 -8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.223 2.147 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.501 2.238 -8.745 1.00 0.00 H new ATOM 958 N THR A 63 -7.980 -0.957 -6.457 1.00 0.00 N ATOM 959 CA THR A 63 -7.171 -2.081 -6.068 1.00 0.00 C ATOM 960 C THR A 63 -6.575 -1.828 -4.691 1.00 0.00 C ATOM 961 O THR A 63 -6.523 -2.742 -3.873 1.00 0.00 O ATOM 962 CB THR A 63 -6.107 -2.292 -7.148 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.501 -1.061 -7.513 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.761 -2.877 -8.405 1.00 0.00 C ATOM 0 H THR A 63 -7.583 -0.433 -7.237 1.00 0.00 H new ATOM 0 HA THR A 63 -7.762 -2.993 -5.988 1.00 0.00 H new ATOM 0 HB THR A 63 -5.353 -2.968 -6.745 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.721 -1.236 -8.080 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.003 -3.027 -9.174 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.226 -3.833 -8.162 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.521 -2.188 -8.774 1.00 0.00 H new ATOM 972 N LEU A 64 -6.149 -0.588 -4.414 1.00 0.00 N ATOM 973 CA LEU A 64 -5.732 -0.246 -3.067 1.00 0.00 C ATOM 974 C LEU A 64 -6.878 -0.460 -2.085 1.00 0.00 C ATOM 975 O LEU A 64 -6.657 -1.016 -1.017 1.00 0.00 O ATOM 976 CB LEU A 64 -5.273 1.211 -3.004 1.00 0.00 C ATOM 977 CG LEU A 64 -3.744 1.374 -3.053 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.339 2.118 -4.318 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.263 2.167 -1.837 1.00 0.00 C ATOM 0 H LEU A 64 -6.088 0.171 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.900 -0.895 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.716 1.760 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.650 1.663 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.290 0.383 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.255 2.229 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.667 1.555 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.804 3.104 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.179 2.277 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.729 3.153 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.538 1.637 -0.925 1.00 0.00 H new ATOM 991 N MET A 65 -8.086 -0.001 -2.422 1.00 0.00 N ATOM 992 CA MET A 65 -9.220 -0.103 -1.517 1.00 0.00 C ATOM 993 C MET A 65 -9.463 -1.574 -1.194 1.00 0.00 C ATOM 994 O MET A 65 -9.446 -1.954 -0.029 1.00 0.00 O ATOM 995 CB MET A 65 -10.479 0.555 -2.097 1.00 0.00 C ATOM 996 CG MET A 65 -10.202 1.927 -2.720 1.00 0.00 C ATOM 997 SD MET A 65 -11.510 3.154 -2.492 1.00 0.00 S ATOM 998 CE MET A 65 -11.173 3.610 -0.779 1.00 0.00 C ATOM 0 H MET A 65 -8.298 0.443 -3.315 1.00 0.00 H new ATOM 0 HA MET A 65 -8.987 0.438 -0.600 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.910 -0.101 -2.853 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.223 0.664 -1.307 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.278 2.321 -2.296 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.032 1.795 -3.789 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.059 4.074 -0.345 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.915 2.718 -0.209 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.342 4.314 -0.747 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.652 -2.403 -2.225 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.933 -3.821 -2.037 1.00 0.00 C ATOM 1010 C GLU A 66 -8.821 -4.492 -1.218 1.00 0.00 C ATOM 1011 O GLU A 66 -9.094 -5.178 -0.233 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.148 -4.492 -3.402 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.777 -5.884 -3.238 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.073 -6.566 -4.569 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.708 -5.985 -5.614 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.626 -7.684 -4.508 1.00 0.00 O ATOM 0 H GLU A 66 -9.614 -2.110 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.853 -3.938 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.793 -3.868 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.194 -4.579 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.105 -6.514 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.702 -5.794 -2.669 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.562 -4.272 -1.613 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.405 -4.826 -0.923 1.00 0.00 C ATOM 1025 C TYR A 67 -6.443 -4.451 0.550 1.00 0.00 C ATOM 1026 O TYR A 67 -6.558 -5.318 1.403 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.115 -4.332 -1.592 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.821 -4.924 -1.062 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.695 -6.312 -0.873 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.686 -4.108 -0.908 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.476 -6.873 -0.466 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.450 -4.681 -0.573 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.345 -6.062 -0.328 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.163 -6.633 0.035 1.00 0.00 O ATOM 0 H TYR A 67 -7.322 -3.702 -2.424 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.429 -5.914 -0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.178 -4.545 -2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.066 -3.248 -1.485 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.547 -6.953 -1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.766 -3.040 -1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.411 -7.931 -0.259 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.572 -4.056 -0.503 1.00 0.00 H new ATOM 0 HH TYR A 67 0.302 -6.048 0.669 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.357 -3.166 0.867 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.295 -2.719 2.248 1.00 0.00 C ATOM 1046 C LEU A 68 -7.512 -3.167 3.059 1.00 0.00 C ATOM 1047 O LEU A 68 -7.378 -3.482 4.239 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.091 -1.198 2.306 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.620 -0.749 2.286 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.830 -1.376 3.439 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -3.916 -1.050 0.960 1.00 0.00 C ATOM 0 H LEU A 68 -6.329 -2.412 0.180 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.433 -3.195 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.608 -0.743 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.562 -0.816 3.212 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.643 0.334 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.794 -1.039 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.271 -1.074 4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.862 -2.462 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.882 -0.709 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.935 -2.124 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.429 -0.532 0.150 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.692 -3.206 2.438 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.911 -3.653 3.089 1.00 0.00 C ATOM 1065 C GLU A 69 -9.855 -5.166 3.366 1.00 0.00 C ATOM 1066 O GLU A 69 -10.412 -5.615 4.368 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.124 -3.195 2.257 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.430 -3.068 3.056 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.512 -2.363 2.244 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.365 -1.138 2.021 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.484 -3.036 1.848 1.00 0.00 O ATOM 0 H GLU A 69 -8.823 -2.926 1.466 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.018 -3.194 4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.895 -2.231 1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.278 -3.902 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.779 -4.059 3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.243 -2.513 3.976 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.177 -5.961 2.522 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.025 -7.402 2.750 1.00 0.00 C ATOM 1080 C ASN A 70 -7.835 -8.008 1.987 1.00 0.00 C ATOM 1081 O ASN A 70 -8.021 -8.658 0.958 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.313 -8.118 2.338 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.463 -9.457 3.049 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.489 -10.156 3.316 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.698 -9.830 3.376 1.00 0.00 N ATOM 0 H ASN A 70 -8.724 -5.625 1.672 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.827 -7.541 3.813 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.171 -7.486 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.313 -8.276 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.852 -10.715 3.860 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.490 -9.231 3.143 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.594 -7.852 2.461 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.433 -8.056 1.611 1.00 0.00 C ATOM 1094 C PRO A 71 -5.216 -9.528 1.301 1.00 0.00 C ATOM 1095 O PRO A 71 -4.969 -9.899 0.156 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.255 -7.411 2.338 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.703 -7.368 3.796 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.229 -7.261 3.730 1.00 0.00 C ATOM 0 HA PRO A 71 -5.565 -7.593 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.343 -7.995 2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.047 -6.412 1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.392 -8.264 4.333 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.268 -6.516 4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.697 -7.790 4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.554 -6.222 3.789 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.363 -10.368 2.324 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.277 -11.811 2.211 1.00 0.00 C ATOM 1108 C LYS A 72 -6.364 -12.404 1.302 1.00 0.00 C ATOM 1109 O LYS A 72 -6.265 -13.572 0.930 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.293 -12.402 3.626 1.00 0.00 C ATOM 1111 CG LYS A 72 -6.602 -12.153 4.398 1.00 0.00 C ATOM 1112 CD LYS A 72 -7.484 -13.408 4.410 1.00 0.00 C ATOM 1113 CE LYS A 72 -8.785 -13.131 5.175 1.00 0.00 C ATOM 1114 NZ LYS A 72 -9.602 -14.353 5.336 1.00 0.00 N ATOM 0 H LYS A 72 -5.550 -10.050 3.275 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.342 -12.080 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.121 -13.476 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.463 -11.980 4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.373 -11.856 5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.146 -11.327 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.711 -13.712 3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.948 -14.234 4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.548 -12.721 6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.364 -12.375 4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.472 -14.123 5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.850 -14.731 4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.060 -15.066 5.864 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.413 -11.637 0.972 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.432 -12.052 0.018 1.00 0.00 C ATOM 1130 C LYS A 73 -8.065 -11.524 -1.367 1.00 0.00 C ATOM 1131 O LYS A 73 -7.975 -12.309 -2.308 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.812 -11.583 0.496 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.958 -12.103 -0.378 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.298 -11.798 0.306 1.00 0.00 C ATOM 1135 CE LYS A 73 -13.472 -12.265 -0.564 1.00 0.00 C ATOM 1136 NZ LYS A 73 -14.777 -12.047 0.095 1.00 0.00 N ATOM 0 H LYS A 73 -7.572 -10.709 1.365 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.479 -13.139 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.967 -11.915 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.836 -10.493 0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.923 -11.633 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.853 -13.177 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.338 -12.294 1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.381 -10.727 0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.453 -11.731 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.354 -13.324 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.541 -12.377 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.807 -12.577 0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.903 -11.033 0.289 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.846 -10.208 -1.504 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.461 -9.607 -2.777 1.00 0.00 C ATOM 1152 C TYR A 74 -6.290 -10.345 -3.443 1.00 0.00 C ATOM 1153 O TYR A 74 -6.328 -10.628 -4.646 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.101 -8.138 -2.543 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.762 -7.371 -3.807 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.730 -7.237 -4.815 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.467 -6.863 -4.018 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.405 -6.614 -6.029 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.144 -6.226 -5.227 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.110 -6.123 -6.240 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.719 -5.814 -7.505 1.00 0.00 O ATOM 0 H TYR A 74 -7.931 -9.540 -0.738 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.307 -9.685 -3.459 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.937 -7.646 -2.046 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.251 -8.088 -1.862 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.729 -7.615 -4.655 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.718 -6.963 -3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.153 -6.513 -6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.156 -5.817 -5.377 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.454 -5.994 -8.128 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.238 -10.627 -2.668 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.075 -11.402 -3.084 1.00 0.00 C ATOM 1173 C ILE A 75 -4.047 -12.694 -2.253 1.00 0.00 C ATOM 1174 O ILE A 75 -3.849 -12.623 -1.038 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.789 -10.567 -2.922 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.765 -9.467 -3.997 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.551 -11.451 -3.132 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.801 -8.317 -3.701 1.00 0.00 C ATOM 0 H ILE A 75 -5.175 -10.309 -1.701 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.137 -11.665 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.776 -10.139 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.494 -9.916 -4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.771 -9.062 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.650 -10.849 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.549 -12.255 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.574 -11.878 -4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.847 -7.587 -4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.082 -7.839 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.786 -8.705 -3.620 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.225 -13.875 -2.873 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.283 -15.143 -2.162 1.00 0.00 C ATOM 1192 C PRO A 76 -2.878 -15.571 -1.721 1.00 0.00 C ATOM 1193 O PRO A 76 -2.297 -16.495 -2.285 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.925 -16.123 -3.150 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.449 -15.602 -4.505 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.437 -14.087 -4.298 1.00 0.00 C ATOM 0 HA PRO A 76 -4.867 -15.092 -1.243 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.597 -17.148 -2.973 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.012 -16.118 -3.075 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.460 -15.983 -4.761 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.122 -15.895 -5.311 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.645 -13.620 -4.883 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.378 -13.642 -4.622 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.342 -14.896 -0.701 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.061 -15.220 -0.086 1.00 0.00 C ATOM 1206 C GLY A 77 -0.022 -14.135 -0.348 1.00 0.00 C ATOM 1207 O GLY A 77 1.080 -14.421 -0.812 1.00 0.00 O ATOM 0 H GLY A 77 -2.800 -14.091 -0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.194 -15.345 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.700 -16.172 -0.476 1.00 0.00 H new ATOM 1211 N THR A 78 -0.355 -12.884 -0.014 1.00 0.00 N ATOM 1212 CA THR A 78 0.638 -11.825 0.093 1.00 0.00 C ATOM 1213 C THR A 78 1.525 -12.100 1.313 1.00 0.00 C ATOM 1214 O THR A 78 1.189 -12.912 2.176 1.00 0.00 O ATOM 1215 CB THR A 78 -0.043 -10.444 0.161 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.918 -9.433 0.394 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.121 -10.367 1.248 1.00 0.00 C ATOM 0 H THR A 78 -1.309 -12.585 0.186 1.00 0.00 H new ATOM 0 HA THR A 78 1.270 -11.812 -0.795 1.00 0.00 H new ATOM 0 HB THR A 78 -0.529 -10.292 -0.803 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.507 -8.554 0.260 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.566 -9.372 1.249 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.893 -11.110 1.048 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.671 -10.565 2.221 1.00 0.00 H new ATOM 1225 N LYS A 79 2.648 -11.387 1.392 1.00 0.00 N ATOM 1226 CA LYS A 79 3.490 -11.327 2.578 1.00 0.00 C ATOM 1227 C LYS A 79 3.067 -10.155 3.474 1.00 0.00 C ATOM 1228 O LYS A 79 3.617 -9.981 4.560 1.00 0.00 O ATOM 1229 CB LYS A 79 4.958 -11.269 2.134 1.00 0.00 C ATOM 1230 CG LYS A 79 5.955 -11.257 3.303 1.00 0.00 C ATOM 1231 CD LYS A 79 7.296 -11.885 2.896 1.00 0.00 C ATOM 1232 CE LYS A 79 7.201 -13.422 2.930 1.00 0.00 C ATOM 1233 NZ LYS A 79 8.428 -14.074 2.429 1.00 0.00 N ATOM 0 H LYS A 79 3.001 -10.826 0.617 1.00 0.00 H new ATOM 0 HA LYS A 79 3.369 -12.221 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.170 -12.127 1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.111 -10.376 1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.117 -10.232 3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.536 -11.804 4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.571 -11.553 1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.083 -11.548 3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.011 -13.749 3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.351 -13.744 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.315 -15.107 2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.597 -13.785 1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.237 -13.790 3.017 1.00 0.00 H new ATOM 1247 N MET A 80 2.093 -9.353 3.038 1.00 0.00 N ATOM 1248 CA MET A 80 1.496 -8.311 3.851 1.00 0.00 C ATOM 1249 C MET A 80 0.565 -8.928 4.893 1.00 0.00 C ATOM 1250 O MET A 80 -0.120 -9.913 4.625 1.00 0.00 O ATOM 1251 CB MET A 80 0.742 -7.376 2.919 1.00 0.00 C ATOM 1252 CG MET A 80 0.100 -6.166 3.587 1.00 0.00 C ATOM 1253 SD MET A 80 0.154 -4.716 2.516 1.00 0.00 S ATOM 1254 CE MET A 80 -1.509 -4.026 2.686 1.00 0.00 C ATOM 0 H MET A 80 1.698 -9.416 2.100 1.00 0.00 H new ATOM 0 HA MET A 80 2.260 -7.752 4.392 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.430 -7.023 2.151 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.037 -7.946 2.412 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.935 -6.395 3.840 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.616 -5.949 4.522 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.595 -3.130 2.072 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.243 -4.762 2.359 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.692 -3.770 3.730 1.00 0.00 H new ATOM 1264 N ILE A 81 0.552 -8.337 6.086 1.00 0.00 N ATOM 1265 CA ILE A 81 -0.099 -8.880 7.268 1.00 0.00 C ATOM 1266 C ILE A 81 -1.034 -7.801 7.809 1.00 0.00 C ATOM 1267 O ILE A 81 -0.625 -6.973 8.621 1.00 0.00 O ATOM 1268 CB ILE A 81 0.975 -9.281 8.294 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.080 -10.190 7.720 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.341 -9.921 9.537 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.598 -11.570 7.262 1.00 0.00 C ATOM 0 H ILE A 81 1.008 -7.441 6.258 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.680 -9.773 7.041 1.00 0.00 H new ATOM 0 HB ILE A 81 1.467 -8.351 8.580 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.546 -9.684 6.875 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.853 -10.323 8.477 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.124 -10.194 10.245 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.340 -9.210 10.005 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.212 -10.814 9.245 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.442 -12.140 6.873 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.160 -12.101 8.107 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.848 -11.452 6.479 1.00 0.00 H new ATOM 1283 N PHE A 82 -2.278 -7.763 7.323 1.00 0.00 N ATOM 1284 CA PHE A 82 -3.195 -6.683 7.667 1.00 0.00 C ATOM 1285 C PHE A 82 -4.644 -7.098 7.373 1.00 0.00 C ATOM 1286 O PHE A 82 -5.311 -6.518 6.525 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.754 -5.415 6.918 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.267 -4.138 7.534 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.695 -3.647 8.723 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.308 -3.436 6.911 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -3.171 -2.452 9.292 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.754 -2.231 7.465 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.209 -1.743 8.661 1.00 0.00 C ATOM 0 H PHE A 82 -2.668 -8.465 6.694 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.163 -6.466 8.735 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.665 -5.382 6.888 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.100 -5.475 5.886 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.890 -4.188 9.198 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.762 -3.822 6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.741 -2.080 10.210 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.529 -1.669 6.964 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.584 -0.828 9.095 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.110 -8.151 8.054 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.347 -8.870 7.743 1.00 0.00 C ATOM 1305 C ALA A 83 -7.576 -7.974 7.535 1.00 0.00 C ATOM 1306 O ALA A 83 -8.383 -8.244 6.648 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.626 -9.895 8.846 1.00 0.00 C ATOM 0 H ALA A 83 -4.620 -8.537 8.861 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.181 -9.358 6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.546 -10.433 8.619 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.798 -10.601 8.904 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.733 -9.381 9.801 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.730 -6.947 8.371 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.768 -5.932 8.280 1.00 0.00 C ATOM 1315 C GLY A 84 -8.123 -4.605 8.670 1.00 0.00 C ATOM 1316 O GLY A 84 -6.983 -4.613 9.134 1.00 0.00 O ATOM 0 H GLY A 84 -7.105 -6.798 9.163 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.173 -5.883 7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.599 -6.168 8.945 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.820 -3.478 8.475 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.187 -2.172 8.450 1.00 0.00 C ATOM 1322 C ILE A 85 -8.553 -1.383 9.698 1.00 0.00 C ATOM 1323 O ILE A 85 -7.681 -0.992 10.470 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.507 -1.479 7.112 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.814 -0.113 7.011 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -10.006 -1.336 6.798 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -7.193 0.106 5.636 1.00 0.00 C ATOM 0 H ILE A 85 -9.830 -3.455 8.332 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.101 -2.257 8.488 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.108 -2.153 6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.537 0.677 7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.040 -0.041 7.775 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.130 -0.837 5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.465 -2.324 6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.487 -0.746 7.578 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.713 1.084 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.451 -0.669 5.444 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.971 0.060 4.874 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.851 -1.187 9.920 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.361 -0.595 11.133 1.00 0.00 C ATOM 1341 C LYS A 86 -11.846 -0.909 11.237 1.00 0.00 C ATOM 1342 O LYS A 86 -12.298 -1.467 12.233 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.085 0.919 11.138 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.781 1.571 12.333 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.126 2.890 12.761 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.453 3.288 14.204 1.00 0.00 C ATOM 1347 NZ LYS A 86 -9.701 2.470 15.178 1.00 0.00 N ATOM 0 H LYS A 86 -10.577 -1.441 9.250 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.858 -1.012 12.006 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.012 1.102 11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.442 1.366 10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.826 1.755 12.082 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.773 0.878 13.174 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.045 2.803 12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.452 3.684 12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.217 4.342 14.354 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.522 3.173 14.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.882 2.822 16.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.008 1.479 15.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.684 2.533 14.972 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.598 -0.513 10.209 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.042 -0.652 10.146 1.00 0.00 C ATOM 1363 C LYS A 87 -14.479 -0.275 8.733 1.00 0.00 C ATOM 1364 O LYS A 87 -14.909 -1.126 7.964 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.688 0.236 11.229 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.219 0.299 11.167 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.733 0.964 12.453 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.243 1.227 12.386 1.00 0.00 C ATOM 1369 NZ LYS A 87 -18.763 1.790 13.651 1.00 0.00 N ATOM 0 H LYS A 87 -12.202 -0.075 9.377 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.364 -1.674 10.346 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.391 -0.135 12.210 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.291 1.247 11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.539 0.866 10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.635 -0.703 11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.512 0.325 13.308 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.206 1.904 12.613 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.455 1.916 11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.764 0.296 12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.786 1.953 13.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.584 1.122 14.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.285 2.691 13.852 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.336 1.014 8.412 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.754 1.643 7.162 1.00 0.00 C ATOM 1385 C LYS A 88 -14.388 3.130 7.228 1.00 0.00 C ATOM 1386 O LYS A 88 -15.243 3.997 7.074 1.00 0.00 O ATOM 1387 CB LYS A 88 -16.267 1.440 6.916 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.644 1.671 5.447 1.00 0.00 C ATOM 1389 CD LYS A 88 -18.149 1.440 5.253 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.515 1.487 3.762 1.00 0.00 C ATOM 1391 NZ LYS A 88 -19.959 1.261 3.535 1.00 0.00 N ATOM 0 H LYS A 88 -13.903 1.679 9.052 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.239 1.179 6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.550 0.429 7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.833 2.125 7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -16.382 2.686 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.078 0.995 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.431 0.474 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.712 2.200 5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.231 2.455 3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.942 0.732 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -20.161 1.301 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -20.226 0.326 3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -20.507 1.996 4.026 1.00 0.00 H new ATOM 1405 N THR A 89 -13.116 3.425 7.506 1.00 0.00 N ATOM 1406 CA THR A 89 -12.628 4.798 7.612 1.00 0.00 C ATOM 1407 C THR A 89 -11.136 4.845 7.276 1.00 0.00 C ATOM 1408 O THR A 89 -10.722 5.591 6.389 1.00 0.00 O ATOM 1409 CB THR A 89 -13.016 5.422 8.962 1.00 0.00 C ATOM 1410 OG1 THR A 89 -12.734 6.801 8.943 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.301 4.773 10.146 1.00 0.00 C ATOM 0 H THR A 89 -12.398 2.718 7.663 1.00 0.00 H new ATOM 0 HA THR A 89 -13.118 5.432 6.873 1.00 0.00 H new ATOM 0 HB THR A 89 -14.084 5.249 9.098 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.983 7.198 9.804 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.616 5.256 11.071 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.553 3.713 10.187 1.00 0.00 H new ATOM 0 HG23 THR A 89 -11.223 4.886 10.027 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.338 3.961 7.893 1.00 0.00 N ATOM 1420 CA GLU A 90 -8.926 3.855 7.579 1.00 0.00 C ATOM 1421 C GLU A 90 -8.704 3.486 6.109 1.00 0.00 C ATOM 1422 O GLU A 90 -7.803 4.018 5.469 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.214 2.937 8.582 1.00 0.00 C ATOM 1424 CG GLU A 90 -8.033 3.702 9.902 1.00 0.00 C ATOM 1425 CD GLU A 90 -6.950 3.140 10.823 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.099 2.359 10.356 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -6.926 3.538 12.011 1.00 0.00 O ATOM 0 H GLU A 90 -10.658 3.313 8.612 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.460 4.834 7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.798 2.031 8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.246 2.626 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.794 4.741 9.674 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.982 3.704 10.438 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.578 2.647 5.545 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.608 2.335 4.117 1.00 0.00 C ATOM 1436 C ARG A 91 -9.660 3.576 3.224 1.00 0.00 C ATOM 1437 O ARG A 91 -9.264 3.511 2.064 1.00 0.00 O ATOM 1438 CB ARG A 91 -10.796 1.410 3.813 1.00 0.00 C ATOM 1439 CG ARG A 91 -12.161 2.071 4.070 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.792 2.598 2.779 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.301 1.494 1.962 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.999 1.612 0.827 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.286 2.815 0.317 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.408 0.486 0.238 1.00 0.00 N ATOM 0 H ARG A 91 -10.296 2.158 6.079 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.670 1.831 3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.744 1.093 2.771 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.714 0.511 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.833 1.349 4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.039 2.892 4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.605 3.284 3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.053 3.165 2.213 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.105 0.548 2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.972 3.660 0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.819 2.888 -0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.185 -0.418 0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.943 0.529 -0.629 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.204 4.682 3.735 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.461 5.879 2.965 1.00 0.00 C ATOM 1460 C GLU A 92 -9.327 6.862 3.260 1.00 0.00 C ATOM 1461 O GLU A 92 -8.724 7.413 2.347 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.856 6.390 3.365 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.567 7.137 2.225 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.054 6.205 1.118 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.609 5.133 1.452 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.868 6.582 -0.054 1.00 0.00 O ATOM 0 H GLU A 92 -10.480 4.762 4.714 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.475 5.718 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.471 5.546 3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.762 7.053 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.417 7.686 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.886 7.874 1.799 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.023 7.070 4.546 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.944 7.934 5.013 1.00 0.00 C ATOM 1475 C ASP A 93 -6.621 7.542 4.363 1.00 0.00 C ATOM 1476 O ASP A 93 -5.935 8.370 3.769 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.815 7.832 6.543 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.756 8.746 7.303 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.714 9.958 7.006 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.502 8.229 8.158 1.00 0.00 O ATOM 0 H ASP A 93 -9.537 6.628 5.308 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.181 8.961 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.003 6.802 6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.789 8.066 6.827 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.247 6.270 4.476 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.978 5.761 3.979 1.00 0.00 C ATOM 1487 C LEU A 94 -4.866 6.002 2.484 1.00 0.00 C ATOM 1488 O LEU A 94 -3.867 6.530 2.007 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.876 4.265 4.288 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.502 3.965 5.751 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.007 3.715 5.825 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.761 5.077 6.773 1.00 0.00 C ATOM 0 H LEU A 94 -6.826 5.558 4.921 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.159 6.285 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.830 3.789 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.131 3.816 3.631 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.141 3.122 6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.725 3.501 6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.749 2.865 5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.473 4.600 5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.455 4.740 7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.189 5.963 6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.823 5.320 6.785 1.00 0.00 H new ATOM 1504 N ILE A 95 -5.915 5.658 1.743 1.00 0.00 N ATOM 1505 CA ILE A 95 -5.928 5.847 0.307 1.00 0.00 C ATOM 1506 C ILE A 95 -5.869 7.344 -0.010 1.00 0.00 C ATOM 1507 O ILE A 95 -5.405 7.713 -1.086 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.142 5.106 -0.295 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -6.841 3.609 -0.486 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.541 5.624 -1.686 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.251 2.853 0.710 1.00 0.00 C ATOM 0 H ILE A 95 -6.768 5.246 2.121 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.048 5.409 -0.163 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.948 5.280 0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.767 3.113 -0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.150 3.508 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.400 5.061 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.801 6.680 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.705 5.498 -2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.089 1.810 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.301 3.306 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.943 2.905 1.550 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.268 8.225 0.916 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.373 9.637 0.609 1.00 0.00 C ATOM 1525 C ALA A 96 -4.987 10.236 0.771 1.00 0.00 C ATOM 1526 O ALA A 96 -4.517 10.984 -0.085 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.401 10.291 1.526 1.00 0.00 C ATOM 0 H ALA A 96 -6.519 7.977 1.873 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.718 9.805 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.475 11.353 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.372 9.818 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.091 10.171 2.564 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.300 9.836 1.845 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.897 10.133 1.976 1.00 0.00 C ATOM 1535 C TYR A 97 -2.133 9.569 0.791 1.00 0.00 C ATOM 1536 O TYR A 97 -1.476 10.321 0.091 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.298 9.578 3.264 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.775 9.709 3.313 1.00 0.00 C ATOM 1539 CD1 TYR A 97 -0.154 10.830 2.728 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.036 8.722 3.900 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.227 11.032 2.833 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.427 8.912 3.983 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.031 10.060 3.440 1.00 0.00 C ATOM 1544 OH TYR A 97 3.381 10.224 3.486 1.00 0.00 O ATOM 0 H TYR A 97 -4.701 9.311 2.622 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.807 11.219 2.007 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.731 10.102 4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.571 8.528 3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.755 11.547 2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.409 7.818 4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.672 11.937 2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.039 8.167 4.470 1.00 0.00 H new ATOM 0 HH TYR A 97 3.620 11.082 3.078 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.145 8.258 0.572 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.221 7.668 -0.389 1.00 0.00 C ATOM 1556 C LEU A 98 -1.430 8.218 -1.798 1.00 0.00 C ATOM 1557 O LEU A 98 -0.490 8.274 -2.591 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.274 6.145 -0.327 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.875 5.646 1.069 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.058 4.130 1.114 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.556 6.010 1.477 1.00 0.00 C ATOM 0 H LEU A 98 -2.769 7.597 1.035 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.209 7.962 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.280 5.801 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.604 5.722 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.524 6.149 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.779 3.759 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.101 3.883 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.425 3.665 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.760 5.622 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.259 5.574 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.669 7.094 1.479 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.640 8.699 -2.078 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.970 9.310 -3.355 1.00 0.00 C ATOM 1575 C LYS A 99 -2.193 10.606 -3.602 1.00 0.00 C ATOM 1576 O LYS A 99 -2.031 11.024 -4.751 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.485 9.481 -3.427 1.00 0.00 C ATOM 1578 CG LYS A 99 -4.938 10.037 -4.772 1.00 0.00 C ATOM 1579 CD LYS A 99 -5.258 11.541 -4.704 1.00 0.00 C ATOM 1580 CE LYS A 99 -4.968 12.249 -6.035 1.00 0.00 C ATOM 1581 NZ LYS A 99 -3.555 12.669 -6.132 1.00 0.00 N ATOM 0 H LYS A 99 -3.419 8.674 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.656 8.656 -4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.966 8.519 -3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.812 10.150 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.158 9.867 -5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.822 9.495 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.307 11.677 -4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.668 12.002 -3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.207 11.581 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.615 13.121 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.492 13.701 -6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.003 12.208 -5.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.174 12.394 -7.060 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.716 11.241 -2.535 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.771 12.350 -2.559 1.00 0.00 C ATOM 1597 C LYS A 100 0.644 11.930 -2.133 1.00 0.00 C ATOM 1598 O LYS A 100 1.586 12.600 -2.525 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.296 13.564 -1.770 1.00 0.00 C ATOM 1600 CG LYS A 100 -1.343 13.374 -0.245 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.789 14.589 0.512 1.00 0.00 C ATOM 1602 CE LYS A 100 0.746 14.557 0.429 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.402 15.694 1.098 1.00 0.00 N ATOM 0 H LYS A 100 -1.991 10.983 -1.587 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.683 12.667 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.666 14.425 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.299 13.802 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.373 13.195 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.769 12.488 0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.173 15.513 0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.113 14.567 1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.105 13.629 0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.044 14.544 -0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.286 15.373 1.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.614 16.433 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.769 16.079 1.828 1.00 0.00 H new ATOM 1617 N ALA A 101 0.838 10.849 -1.366 1.00 0.00 N ATOM 1618 CA ALA A 101 2.175 10.390 -0.984 1.00 0.00 C ATOM 1619 C ALA A 101 2.947 9.970 -2.230 1.00 0.00 C ATOM 1620 O ALA A 101 4.134 10.243 -2.378 1.00 0.00 O ATOM 1621 CB ALA A 101 2.114 9.214 -0.011 1.00 0.00 C ATOM 0 H ALA A 101 0.080 10.275 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 101 2.680 11.217 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.126 8.903 0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.585 9.517 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.587 8.382 -0.478 1.00 0.00 H new ATOM 1627 N THR A 102 2.223 9.335 -3.157 1.00 0.00 N ATOM 1628 CA THR A 102 2.703 8.979 -4.483 1.00 0.00 C ATOM 1629 C THR A 102 3.217 10.206 -5.254 1.00 0.00 C ATOM 1630 O THR A 102 3.847 10.035 -6.295 1.00 0.00 O ATOM 1631 CB THR A 102 1.554 8.274 -5.229 1.00 0.00 C ATOM 1632 OG1 THR A 102 2.017 7.490 -6.311 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.515 9.284 -5.725 1.00 0.00 C ATOM 0 H THR A 102 1.258 9.049 -2.994 1.00 0.00 H new ATOM 0 HA THR A 102 3.556 8.306 -4.398 1.00 0.00 H new ATOM 0 HB THR A 102 1.084 7.604 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.764 7.947 -6.750 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.284 8.758 -6.248 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.098 9.824 -4.875 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.990 9.990 -6.406 1.00 0.00 H new ATOM 1641 N ASN A 103 2.891 11.425 -4.799 1.00 0.00 N ATOM 1642 CA ASN A 103 3.379 12.672 -5.371 1.00 0.00 C ATOM 1643 C ASN A 103 3.514 13.741 -4.276 1.00 0.00 C ATOM 1644 O ASN A 103 2.794 14.742 -4.304 1.00 0.00 O ATOM 1645 CB ASN A 103 2.419 13.115 -6.487 1.00 0.00 C ATOM 1646 CG ASN A 103 2.880 14.394 -7.182 1.00 0.00 C ATOM 1647 OD1 ASN A 103 4.069 14.682 -7.262 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.940 15.169 -7.721 1.00 0.00 N ATOM 0 H ASN A 103 2.266 11.566 -4.005 1.00 0.00 H new ATOM 0 HA ASN A 103 4.369 12.527 -5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.331 12.317 -7.224 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.426 13.272 -6.066 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.203 16.023 -8.213 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.957 14.909 -7.642 1.00 0.00 H new ATOM 1655 N GLU A 104 4.421 13.529 -3.316 1.00 0.00 N ATOM 1656 CA GLU A 104 4.923 14.567 -2.428 1.00 0.00 C ATOM 1657 C GLU A 104 6.448 14.502 -2.441 1.00 0.00 C ATOM 1658 O GLU A 104 7.066 15.488 -1.984 1.00 0.00 O ATOM 1659 CB GLU A 104 4.317 14.471 -1.012 1.00 0.00 C ATOM 1660 CG GLU A 104 4.754 13.287 -0.123 1.00 0.00 C ATOM 1661 CD GLU A 104 4.068 13.295 1.238 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.542 14.367 1.619 1.00 0.00 O ATOM 1663 OE2 GLU A 104 4.020 12.219 1.876 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.961 13.477 -2.945 1.00 0.00 O ATOM 0 H GLU A 104 4.830 12.612 -3.136 1.00 0.00 H new ATOM 0 HA GLU A 104 4.610 15.548 -2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.555 15.394 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.232 14.432 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.529 12.351 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.834 13.322 0.018 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.803 -3.084 2.888 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.679 -4.328 -0.307 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.069 -0.539 1.464 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.847 -2.196 6.054 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.845 -5.578 4.276 1.00 0.00 C HETATM 1677 NA HEC A 105 1.406 -2.555 0.918 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.880 -3.179 -0.215 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.479 -2.367 -1.346 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.665 -1.363 -0.856 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.691 -1.447 0.590 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.134 -0.363 -1.671 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.989 -2.501 -2.774 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.520 -2.576 -2.909 1.00 0.00 C HETATM 1685 CGA HEC A 105 4.049 -2.186 -4.282 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.531 -2.677 -5.309 1.00 0.00 O HETATM 1687 O2A HEC A 105 5.014 -1.398 -4.314 1.00 0.00 O HETATM 1688 NB HEC A 105 0.677 -1.614 3.633 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.072 -0.657 2.875 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.588 0.244 3.799 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.417 -0.257 5.080 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.409 -1.431 4.965 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.358 1.484 3.415 1.00 0.00 C HETATM 1694 CAB HEC A 105 -1.011 0.252 6.387 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.536 0.154 6.440 1.00 0.00 C HETATM 1696 NC HEC A 105 2.241 -3.783 4.810 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.733 -3.248 5.940 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.307 -3.942 7.066 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.251 -4.808 6.564 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.120 -4.771 5.128 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.004 -3.664 8.519 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.409 -5.445 7.308 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.034 -6.661 8.155 1.00 0.00 C HETATM 1704 ND HEC A 105 3.039 -4.671 2.122 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.767 -5.518 2.900 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.492 -6.406 2.036 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.176 -6.070 0.747 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.232 -4.971 0.801 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.467 -7.480 2.458 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.795 -6.742 -0.452 1.00 0.00 C HETATM 1711 CBD HEC A 105 4.279 -8.171 -0.645 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.279 -8.270 -1.778 1.00 0.00 C HETATM 1713 O1D HEC A 105 3.383 -9.275 -2.507 1.00 0.00 O HETATM 1714 O2D HEC A 105 2.480 -7.326 -1.940 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.292 -7.027 3.008 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.959 -8.202 3.097 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.855 -7.987 1.574 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.270 -2.634 8.755 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 0.941 -3.816 8.704 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.582 -4.341 9.147 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.698 2.174 2.889 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.189 1.210 2.765 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.744 1.965 4.313 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.543 0.222 -2.294 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.843 -0.895 -2.306 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.677 0.303 -1.000 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 5.120 -8.835 -0.846 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.814 -8.515 0.279 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.300 -6.369 8.906 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.609 -7.434 7.514 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 4.925 -7.049 8.649 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.967 0.746 5.633 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.838 -0.887 6.327 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.892 0.533 7.398 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.971 -1.924 -2.161 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.843 -3.592 -2.683 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 4.580 -6.156 -1.346 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.879 -6.761 -0.336 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.555 -3.397 -3.217 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.628 -1.652 -3.355 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.522 -6.309 4.718 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.467 -1.947 7.045 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.451 0.313 1.026 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.878 -4.740 -1.296 1.00 0.00 H new HETATM 0 H2D HEC A 105 1.803 -7.346 -1.232 1.00 0.00 H new