USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 877 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 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 49 THR OG1 : rot 180:sc= -0.0632 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= -0.113 USER MOD Set 2.1: A 67 HIS : no HE2:sc= -3.6! C(o=-4.9!,f=-26!) USER MOD Set 2.2: A 80 MET CE :methyl 137:sc= -1.31 (180deg=0) USER MOD Set 3.1: A 63 ASN :FLIP amide:sc= 0.73 F(o=-4.5,f=-1.2) USER MOD Set 3.2: A 74 TYR OH : rot 174:sc= -1.93! USER MOD Set 4.1: A 40 SER OG : rot -67:sc= 1.68 USER MOD Set 4.2: A 52 ASN :FLIP amide:sc= -1.02! F(o=-1.8,f=1.3!) USER MOD Set 4.3: A 56 ASN :FLIP amide:sc= 0.619 F(o=-10!,f=1.3) USER MOD Set 5.1: A 19 THR OG1 : rot -85:sc= 1.24 USER MOD Set 5.2: A 31 ASN :FLIP amide:sc= -0.171! C(o=-5.8!,f=1.1!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.00939) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -31:sc= 0.332 USER MOD Single : A -2 LYS NZ :NH3+ 141:sc= -2.61 (180deg=-3.63!) USER MOD Single : A -5 THR N :NH3+ -121:sc= 0.673 (180deg=0) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.229 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -21:sc= 0.879 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0264 K(o=-0.026,f=-8.5!) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0938) USER MOD Single : A 33 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=-0.33) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 42 GLN : amide:sc= -2.09! C(o=-2.1!,f=-9.9!) USER MOD Single : A 46 TYR OH : rot 51:sc= 0.717 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -153:sc= -5.23! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -165:sc= -0.88 (180deg=-1.4) USER MOD Single : A 65 SER OG : rot 84:sc= -2.03! USER MOD Single : A 69 THR OG1 : rot 74:sc= -1.63 USER MOD Single : A 70 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -128:sc= -0.262 (180deg=-1.2) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -2.33! C(o=-2.3!,f=-1.9!) USER MOD Single : A 96 THR OG1 : rot -44:sc= 1 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -174:sc= -0.271! (180deg=-0.763!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -31:sc= 0.821 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -16.985 -11.044 3.070 1.00 0.00 N ATOM 2 CA THR A -5 -16.324 -10.163 2.065 1.00 0.00 C ATOM 3 C THR A -5 -14.808 -10.191 2.280 1.00 0.00 C ATOM 4 O THR A -5 -14.331 -10.475 3.360 1.00 0.00 O ATOM 5 CB THR A -5 -16.835 -8.729 2.229 1.00 0.00 C ATOM 6 OG1 THR A -5 -17.800 -8.689 3.271 1.00 0.00 O ATOM 7 CG2 THR A -5 -17.474 -8.261 0.921 1.00 0.00 C ATOM 0 H1 THR A -5 -17.527 -11.784 2.580 1.00 0.00 H new ATOM 0 H2 THR A -5 -16.262 -11.486 3.673 1.00 0.00 H new ATOM 0 H3 THR A -5 -17.628 -10.477 3.659 1.00 0.00 H new ATOM 0 HA THR A -5 -16.556 -10.520 1.061 1.00 0.00 H new ATOM 0 HB THR A -5 -16.002 -8.072 2.479 1.00 0.00 H new ATOM 0 HG1 THR A -5 -18.127 -7.772 3.379 1.00 0.00 H new ATOM 0 HG21 THR A -5 -17.838 -7.240 1.039 1.00 0.00 H new ATOM 0 HG22 THR A -5 -16.733 -8.293 0.122 1.00 0.00 H new ATOM 0 HG23 THR A -5 -18.308 -8.916 0.669 1.00 0.00 H new ATOM 17 N GLU A -4 -14.050 -9.901 1.258 1.00 0.00 N ATOM 18 CA GLU A -4 -12.567 -9.912 1.405 1.00 0.00 C ATOM 19 C GLU A -4 -12.150 -8.868 2.443 1.00 0.00 C ATOM 20 O GLU A -4 -11.187 -9.045 3.162 1.00 0.00 O ATOM 21 CB GLU A -4 -11.920 -9.580 0.058 1.00 0.00 C ATOM 22 CG GLU A -4 -12.249 -10.680 -0.952 1.00 0.00 C ATOM 23 CD GLU A -4 -11.545 -10.382 -2.278 1.00 0.00 C ATOM 24 OE1 GLU A -4 -11.000 -9.299 -2.405 1.00 0.00 O ATOM 25 OE2 GLU A -4 -11.563 -11.243 -3.142 1.00 0.00 O ATOM 0 H GLU A -4 -14.393 -9.657 0.329 1.00 0.00 H new ATOM 0 HA GLU A -4 -12.240 -10.899 1.732 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -12.283 -8.618 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -10.840 -9.490 0.174 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -11.929 -11.649 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -13.327 -10.738 -1.105 1.00 0.00 H new ATOM 32 N PHE A -3 -12.868 -7.782 2.529 1.00 0.00 N ATOM 33 CA PHE A -3 -12.512 -6.730 3.521 1.00 0.00 C ATOM 34 C PHE A -3 -13.427 -6.848 4.742 1.00 0.00 C ATOM 35 O PHE A -3 -14.635 -6.896 4.625 1.00 0.00 O ATOM 36 CB PHE A -3 -12.691 -5.349 2.884 1.00 0.00 C ATOM 37 CG PHE A -3 -12.260 -4.279 3.861 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.918 -3.880 3.920 1.00 0.00 C ATOM 39 CD2 PHE A -3 -13.204 -3.680 4.704 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.523 -2.886 4.823 1.00 0.00 C ATOM 41 CE2 PHE A -3 -12.808 -2.686 5.607 1.00 0.00 C ATOM 42 CZ PHE A -3 -11.467 -2.289 5.667 1.00 0.00 C ATOM 0 H PHE A -3 -13.686 -7.578 1.955 1.00 0.00 H new ATOM 0 HA PHE A -3 -11.475 -6.859 3.830 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -12.101 -5.280 1.970 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -13.733 -5.200 2.602 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -10.189 -4.339 3.269 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -14.239 -3.985 4.658 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.488 -2.579 4.869 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -13.537 -2.226 6.257 1.00 0.00 H new ATOM 0 HZ PHE A -3 -11.161 -1.523 6.364 1.00 0.00 H new ATOM 52 N LYS A -2 -12.858 -6.890 5.916 1.00 0.00 N ATOM 53 CA LYS A -2 -13.691 -6.998 7.146 1.00 0.00 C ATOM 54 C LYS A -2 -14.111 -5.597 7.593 1.00 0.00 C ATOM 55 O LYS A -2 -13.642 -4.608 7.069 1.00 0.00 O ATOM 56 CB LYS A -2 -12.882 -7.669 8.259 1.00 0.00 C ATOM 57 CG LYS A -2 -12.509 -9.090 7.832 1.00 0.00 C ATOM 58 CD LYS A -2 -11.922 -9.844 9.028 1.00 0.00 C ATOM 59 CE LYS A -2 -10.609 -9.186 9.453 1.00 0.00 C ATOM 60 NZ LYS A -2 -9.826 -10.135 10.291 1.00 0.00 N ATOM 0 H LYS A -2 -11.851 -6.854 6.076 1.00 0.00 H new ATOM 0 HA LYS A -2 -14.577 -7.597 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -11.981 -7.092 8.467 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -13.463 -7.695 9.181 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -13.389 -9.611 7.456 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -11.785 -9.058 7.017 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.629 -9.838 9.858 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -11.749 -10.887 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -10.032 -8.900 8.574 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -10.812 -8.273 10.012 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -8.817 -10.057 10.053 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -9.963 -9.905 11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -10.150 -11.107 10.111 1.00 0.00 H new ATOM 74 N ALA A -1 -14.997 -5.508 8.551 1.00 0.00 N ATOM 75 CA ALA A -1 -15.454 -4.170 9.032 1.00 0.00 C ATOM 76 C ALA A -1 -14.271 -3.200 9.067 1.00 0.00 C ATOM 77 O ALA A -1 -14.438 -2.001 8.994 1.00 0.00 O ATOM 78 CB ALA A -1 -16.038 -4.308 10.437 1.00 0.00 C ATOM 0 H ALA A -1 -15.424 -6.306 9.022 1.00 0.00 H new ATOM 0 HA ALA A -1 -16.216 -3.785 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -16.372 -3.332 10.790 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -16.884 -4.995 10.413 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -15.275 -4.696 11.112 1.00 0.00 H new ATOM 84 N GLY A 1 -13.075 -3.713 9.173 1.00 0.00 N ATOM 85 CA GLY A 1 -11.882 -2.821 9.206 1.00 0.00 C ATOM 86 C GLY A 1 -11.393 -2.664 10.647 1.00 0.00 C ATOM 87 O GLY A 1 -11.902 -1.855 11.398 1.00 0.00 O ATOM 0 H GLY A 1 -12.873 -4.711 9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.088 -3.237 8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.134 -1.846 8.789 1.00 0.00 H new ATOM 91 N SER A 2 -10.406 -3.428 11.033 1.00 0.00 N ATOM 92 CA SER A 2 -9.874 -3.323 12.422 1.00 0.00 C ATOM 93 C SER A 2 -8.397 -2.933 12.363 1.00 0.00 C ATOM 94 O SER A 2 -7.643 -3.448 11.562 1.00 0.00 O ATOM 95 CB SER A 2 -10.017 -4.673 13.125 1.00 0.00 C ATOM 96 OG SER A 2 -9.616 -4.540 14.481 1.00 0.00 O ATOM 0 H SER A 2 -9.945 -4.122 10.445 1.00 0.00 H new ATOM 0 HA SER A 2 -10.432 -2.567 12.974 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.050 -5.017 13.071 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.405 -5.423 12.625 1.00 0.00 H new ATOM 0 HG SER A 2 -9.708 -5.403 14.936 1.00 0.00 H new ATOM 102 N ALA A 3 -7.978 -2.027 13.203 1.00 0.00 N ATOM 103 CA ALA A 3 -6.551 -1.602 13.193 1.00 0.00 C ATOM 104 C ALA A 3 -5.827 -2.196 14.398 1.00 0.00 C ATOM 105 O ALA A 3 -6.284 -2.107 15.520 1.00 0.00 O ATOM 106 CB ALA A 3 -6.471 -0.076 13.249 1.00 0.00 C ATOM 0 H ALA A 3 -8.564 -1.562 13.897 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.077 -1.957 12.278 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.426 0.234 13.242 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.981 0.347 12.384 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.949 0.280 14.162 1.00 0.00 H new ATOM 112 N LYS A 4 -4.695 -2.794 14.167 1.00 0.00 N ATOM 113 CA LYS A 4 -3.914 -3.398 15.278 1.00 0.00 C ATOM 114 C LYS A 4 -2.590 -3.914 14.716 1.00 0.00 C ATOM 115 O LYS A 4 -1.618 -3.189 14.629 1.00 0.00 O ATOM 116 CB LYS A 4 -4.706 -4.553 15.900 1.00 0.00 C ATOM 117 CG LYS A 4 -3.938 -5.114 17.097 1.00 0.00 C ATOM 118 CD LYS A 4 -4.698 -6.307 17.679 1.00 0.00 C ATOM 119 CE LYS A 4 -4.018 -6.764 18.971 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.817 -7.582 18.637 1.00 0.00 N ATOM 0 H LYS A 4 -4.272 -2.891 13.244 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.723 -2.653 16.050 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.689 -4.204 16.217 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.869 -5.336 15.160 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.939 -5.421 16.789 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.814 -4.342 17.857 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.733 -6.030 17.879 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.720 -7.124 16.958 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.728 -5.899 19.568 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.713 -7.348 19.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.850 -8.479 19.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.805 -7.780 17.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.957 -7.059 18.899 1.00 0.00 H new ATOM 134 N LYS A 5 -2.547 -5.153 14.311 1.00 0.00 N ATOM 135 CA LYS A 5 -1.290 -5.698 13.733 1.00 0.00 C ATOM 136 C LYS A 5 -0.966 -4.930 12.451 1.00 0.00 C ATOM 137 O LYS A 5 0.177 -4.650 12.150 1.00 0.00 O ATOM 138 CB LYS A 5 -1.474 -7.182 13.411 1.00 0.00 C ATOM 139 CG LYS A 5 -1.716 -7.962 14.704 1.00 0.00 C ATOM 140 CD LYS A 5 -1.785 -9.458 14.395 1.00 0.00 C ATOM 141 CE LYS A 5 -2.148 -10.226 15.667 1.00 0.00 C ATOM 142 NZ LYS A 5 -3.465 -10.897 15.485 1.00 0.00 N ATOM 0 H LYS A 5 -3.327 -5.809 14.356 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.474 -5.588 14.448 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.316 -7.315 12.731 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.590 -7.566 12.903 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.914 -7.764 15.416 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.645 -7.633 15.170 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.528 -9.646 13.620 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.826 -9.805 14.009 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.379 -10.966 15.890 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.190 -9.544 16.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.711 -11.419 16.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.195 -10.182 15.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.410 -11.559 14.685 1.00 0.00 H new ATOM 156 N GLY A 6 -1.974 -4.589 11.693 1.00 0.00 N ATOM 157 CA GLY A 6 -1.743 -3.839 10.427 1.00 0.00 C ATOM 158 C GLY A 6 -1.053 -2.507 10.731 1.00 0.00 C ATOM 159 O GLY A 6 -0.217 -2.046 9.980 1.00 0.00 O ATOM 0 H GLY A 6 -2.951 -4.799 11.898 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.128 -4.431 9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.692 -3.660 9.921 1.00 0.00 H new ATOM 163 N ALA A 7 -1.401 -1.882 11.824 1.00 0.00 N ATOM 164 CA ALA A 7 -0.767 -0.577 12.166 1.00 0.00 C ATOM 165 C ALA A 7 0.738 -0.770 12.345 1.00 0.00 C ATOM 166 O ALA A 7 1.538 -0.051 11.778 1.00 0.00 O ATOM 167 CB ALA A 7 -1.370 -0.043 13.467 1.00 0.00 C ATOM 0 H ALA A 7 -2.095 -2.218 12.492 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.948 0.135 11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.907 0.911 13.718 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.444 0.097 13.340 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.190 -0.756 14.271 1.00 0.00 H new ATOM 173 N THR A 8 1.134 -1.737 13.123 1.00 0.00 N ATOM 174 CA THR A 8 2.586 -1.977 13.330 1.00 0.00 C ATOM 175 C THR A 8 3.171 -2.621 12.074 1.00 0.00 C ATOM 176 O THR A 8 4.313 -2.397 11.725 1.00 0.00 O ATOM 177 CB THR A 8 2.778 -2.910 14.526 1.00 0.00 C ATOM 178 OG1 THR A 8 2.235 -4.188 14.218 1.00 0.00 O ATOM 179 CG2 THR A 8 2.064 -2.331 15.748 1.00 0.00 C ATOM 0 H THR A 8 0.513 -2.372 13.625 1.00 0.00 H new ATOM 0 HA THR A 8 3.094 -1.033 13.524 1.00 0.00 H new ATOM 0 HB THR A 8 3.841 -3.009 14.744 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.474 -4.082 13.610 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.202 -2.997 16.600 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.481 -1.351 15.983 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.000 -2.231 15.534 1.00 0.00 H new ATOM 187 N LEU A 9 2.394 -3.412 11.383 1.00 0.00 N ATOM 188 CA LEU A 9 2.910 -4.055 10.144 1.00 0.00 C ATOM 189 C LEU A 9 3.394 -2.955 9.204 1.00 0.00 C ATOM 190 O LEU A 9 4.434 -3.055 8.585 1.00 0.00 O ATOM 191 CB LEU A 9 1.782 -4.839 9.471 1.00 0.00 C ATOM 192 CG LEU A 9 2.342 -5.646 8.299 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.865 -6.988 8.810 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.236 -5.894 7.270 1.00 0.00 C ATOM 0 H LEU A 9 1.429 -3.639 11.623 1.00 0.00 H new ATOM 0 HA LEU A 9 3.726 -4.737 10.382 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.310 -5.507 10.192 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.011 -4.154 9.118 1.00 0.00 H new ATOM 0 HG LEU A 9 3.154 -5.088 7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.265 -7.564 7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.653 -6.816 9.543 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.051 -7.542 9.277 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.638 -6.469 6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.423 -6.450 7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.859 -4.939 6.904 1.00 0.00 H new ATOM 206 N PHE A 10 2.643 -1.895 9.116 1.00 0.00 N ATOM 207 CA PHE A 10 3.039 -0.758 8.243 1.00 0.00 C ATOM 208 C PHE A 10 4.346 -0.168 8.775 1.00 0.00 C ATOM 209 O PHE A 10 5.282 0.078 8.040 1.00 0.00 O ATOM 210 CB PHE A 10 1.936 0.304 8.294 1.00 0.00 C ATOM 211 CG PHE A 10 2.240 1.419 7.326 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.863 1.305 5.983 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.892 2.573 7.774 1.00 0.00 C ATOM 214 CE1 PHE A 10 2.141 2.345 5.088 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.169 3.611 6.879 1.00 0.00 C ATOM 216 CZ PHE A 10 2.794 3.499 5.538 1.00 0.00 C ATOM 0 H PHE A 10 1.763 -1.767 9.616 1.00 0.00 H new ATOM 0 HA PHE A 10 3.179 -1.092 7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.975 -0.148 8.049 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.852 0.703 9.305 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.358 0.415 5.637 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.181 2.662 8.811 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.852 2.257 4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.674 4.501 7.225 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.008 4.302 4.848 1.00 0.00 H new ATOM 226 N LYS A 11 4.403 0.054 10.060 1.00 0.00 N ATOM 227 CA LYS A 11 5.630 0.625 10.677 1.00 0.00 C ATOM 228 C LYS A 11 6.806 -0.338 10.499 1.00 0.00 C ATOM 229 O LYS A 11 7.930 0.068 10.284 1.00 0.00 O ATOM 230 CB LYS A 11 5.382 0.835 12.173 1.00 0.00 C ATOM 231 CG LYS A 11 6.530 1.649 12.773 1.00 0.00 C ATOM 232 CD LYS A 11 6.314 1.808 14.279 1.00 0.00 C ATOM 233 CE LYS A 11 7.373 2.751 14.851 1.00 0.00 C ATOM 234 NZ LYS A 11 7.905 2.188 16.124 1.00 0.00 N ATOM 0 H LYS A 11 3.644 -0.138 10.713 1.00 0.00 H new ATOM 0 HA LYS A 11 5.867 1.573 10.194 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.436 1.354 12.326 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.303 -0.128 12.678 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.481 1.151 12.582 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.582 2.628 12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.317 2.203 14.474 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.374 0.837 14.770 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.183 2.884 14.133 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.940 3.735 15.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.625 2.829 16.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.129 2.083 16.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.333 1.258 15.940 1.00 0.00 H new ATOM 248 N THR A 12 6.555 -1.612 10.621 1.00 0.00 N ATOM 249 CA THR A 12 7.654 -2.612 10.496 1.00 0.00 C ATOM 250 C THR A 12 8.156 -2.717 9.051 1.00 0.00 C ATOM 251 O THR A 12 9.318 -2.980 8.817 1.00 0.00 O ATOM 252 CB THR A 12 7.141 -3.980 10.949 1.00 0.00 C ATOM 253 OG1 THR A 12 6.127 -4.423 10.058 1.00 0.00 O ATOM 254 CG2 THR A 12 6.568 -3.870 12.363 1.00 0.00 C ATOM 0 H THR A 12 5.632 -2.006 10.803 1.00 0.00 H new ATOM 0 HA THR A 12 8.484 -2.286 11.123 1.00 0.00 H new ATOM 0 HB THR A 12 7.964 -4.695 10.948 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.749 -3.653 9.584 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.203 -4.845 12.685 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.347 -3.531 13.046 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.745 -3.155 12.368 1.00 0.00 H new ATOM 262 N ARG A 13 7.304 -2.539 8.077 1.00 0.00 N ATOM 263 CA ARG A 13 7.780 -2.663 6.668 1.00 0.00 C ATOM 264 C ARG A 13 6.995 -1.737 5.736 1.00 0.00 C ATOM 265 O ARG A 13 6.407 -2.181 4.770 1.00 0.00 O ATOM 266 CB ARG A 13 7.599 -4.111 6.200 1.00 0.00 C ATOM 267 CG ARG A 13 8.517 -5.034 7.005 1.00 0.00 C ATOM 268 CD ARG A 13 8.425 -6.456 6.447 1.00 0.00 C ATOM 269 NE ARG A 13 9.050 -6.501 5.094 1.00 0.00 N ATOM 270 CZ ARG A 13 8.887 -7.550 4.335 1.00 0.00 C ATOM 271 NH1 ARG A 13 8.177 -8.559 4.759 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.435 -7.589 3.151 1.00 0.00 N ATOM 0 H ARG A 13 6.315 -2.317 8.192 1.00 0.00 H new ATOM 0 HA ARG A 13 8.832 -2.379 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.560 -4.416 6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.829 -4.191 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.546 -4.677 6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.229 -5.025 8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.929 -7.154 7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.382 -6.768 6.388 1.00 0.00 H new ATOM 0 HE ARG A 13 9.605 -5.712 4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.749 -8.528 5.684 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.050 -9.379 4.165 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.990 -6.800 2.820 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.308 -8.408 2.557 1.00 0.00 H new ATOM 286 N CYS A 14 6.988 -0.458 5.994 1.00 0.00 N ATOM 287 CA CYS A 14 6.245 0.463 5.087 1.00 0.00 C ATOM 288 C CYS A 14 6.506 1.921 5.479 1.00 0.00 C ATOM 289 O CYS A 14 6.862 2.737 4.654 1.00 0.00 O ATOM 290 CB CYS A 14 4.747 0.166 5.172 1.00 0.00 C ATOM 291 SG CYS A 14 3.950 0.664 3.622 1.00 0.00 S ATOM 0 H CYS A 14 7.458 -0.015 6.783 1.00 0.00 H new ATOM 0 HA CYS A 14 6.590 0.308 4.065 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.585 -0.897 5.353 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.305 0.703 6.011 1.00 0.00 H new ATOM 296 N LEU A 15 6.326 2.258 6.725 1.00 0.00 N ATOM 297 CA LEU A 15 6.557 3.669 7.157 1.00 0.00 C ATOM 298 C LEU A 15 7.986 4.091 6.807 1.00 0.00 C ATOM 299 O LEU A 15 8.232 5.216 6.422 1.00 0.00 O ATOM 300 CB LEU A 15 6.351 3.777 8.673 1.00 0.00 C ATOM 301 CG LEU A 15 6.492 5.238 9.126 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.211 6.013 8.812 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.738 5.269 10.633 1.00 0.00 C ATOM 0 H LEU A 15 6.029 1.620 7.464 1.00 0.00 H new ATOM 0 HA LEU A 15 5.853 4.323 6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.364 3.399 8.941 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.081 3.156 9.192 1.00 0.00 H new ATOM 0 HG LEU A 15 7.326 5.699 8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.322 7.047 9.137 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.025 5.989 7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.372 5.556 9.336 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.839 6.303 10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.898 4.804 11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.653 4.723 10.864 1.00 0.00 H new ATOM 315 N GLN A 16 8.929 3.204 6.942 1.00 0.00 N ATOM 316 CA GLN A 16 10.337 3.567 6.625 1.00 0.00 C ATOM 317 C GLN A 16 10.431 4.055 5.178 1.00 0.00 C ATOM 318 O GLN A 16 11.212 4.929 4.858 1.00 0.00 O ATOM 319 CB GLN A 16 11.233 2.339 6.804 1.00 0.00 C ATOM 320 CG GLN A 16 11.232 1.919 8.275 1.00 0.00 C ATOM 321 CD GLN A 16 12.093 0.666 8.448 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.400 -0.013 7.488 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.500 0.329 9.641 1.00 0.00 N ATOM 0 H GLN A 16 8.787 2.245 7.258 1.00 0.00 H new ATOM 0 HA GLN A 16 10.664 4.361 7.297 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.875 1.520 6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.249 2.566 6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.619 2.727 8.895 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.213 1.722 8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.243 0.898 10.447 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.075 -0.504 9.767 1.00 0.00 H new ATOM 332 N CYS A 17 9.651 3.491 4.298 1.00 0.00 N ATOM 333 CA CYS A 17 9.709 3.917 2.872 1.00 0.00 C ATOM 334 C CYS A 17 8.603 4.931 2.565 1.00 0.00 C ATOM 335 O CYS A 17 8.826 5.916 1.889 1.00 0.00 O ATOM 336 CB CYS A 17 9.522 2.699 1.973 1.00 0.00 C ATOM 337 SG CYS A 17 10.919 1.569 2.182 1.00 0.00 S ATOM 0 H CYS A 17 8.977 2.754 4.505 1.00 0.00 H new ATOM 0 HA CYS A 17 10.678 4.380 2.688 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.590 2.191 2.221 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.447 3.011 0.931 1.00 0.00 H new ATOM 342 N HIS A 18 7.409 4.691 3.037 1.00 0.00 N ATOM 343 CA HIS A 18 6.291 5.634 2.747 1.00 0.00 C ATOM 344 C HIS A 18 5.970 6.470 3.987 1.00 0.00 C ATOM 345 O HIS A 18 5.688 5.948 5.046 1.00 0.00 O ATOM 346 CB HIS A 18 5.053 4.830 2.337 1.00 0.00 C ATOM 347 CG HIS A 18 5.261 4.244 0.971 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.192 5.004 -0.190 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.519 2.964 0.566 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.403 4.174 -1.234 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.605 2.925 -0.818 1.00 0.00 N ATOM 0 H HIS A 18 7.160 3.884 3.610 1.00 0.00 H new ATOM 0 HA HIS A 18 6.585 6.303 1.939 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.867 4.036 3.060 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.173 5.473 2.337 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.014 6.007 -0.244 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.638 2.114 1.222 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.407 4.482 -2.269 1.00 0.00 H new ATOM 359 N THR A 19 6.003 7.769 3.855 1.00 0.00 N ATOM 360 CA THR A 19 5.692 8.646 5.018 1.00 0.00 C ATOM 361 C THR A 19 4.182 8.885 5.082 1.00 0.00 C ATOM 362 O THR A 19 3.650 9.281 6.100 1.00 0.00 O ATOM 363 CB THR A 19 6.415 9.986 4.855 1.00 0.00 C ATOM 364 OG1 THR A 19 5.887 10.673 3.729 1.00 0.00 O ATOM 365 CG2 THR A 19 7.910 9.739 4.650 1.00 0.00 C ATOM 0 H THR A 19 6.232 8.260 2.991 1.00 0.00 H new ATOM 0 HA THR A 19 6.025 8.165 5.938 1.00 0.00 H new ATOM 0 HB THR A 19 6.269 10.590 5.751 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.343 10.369 2.917 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.424 10.693 4.534 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.314 9.212 5.515 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.060 9.135 3.755 1.00 0.00 H new ATOM 373 N VAL A 20 3.487 8.648 4.003 1.00 0.00 N ATOM 374 CA VAL A 20 2.012 8.862 4.004 1.00 0.00 C ATOM 375 C VAL A 20 1.708 10.335 4.285 1.00 0.00 C ATOM 376 O VAL A 20 0.613 10.688 4.675 1.00 0.00 O ATOM 377 CB VAL A 20 1.372 7.996 5.088 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.099 7.751 4.744 1.00 0.00 C ATOM 379 CG2 VAL A 20 2.105 6.656 5.169 1.00 0.00 C ATOM 0 H VAL A 20 3.877 8.316 3.121 1.00 0.00 H new ATOM 0 HA VAL A 20 1.606 8.587 3.031 1.00 0.00 H new ATOM 0 HB VAL A 20 1.441 8.507 6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.555 7.133 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.623 8.705 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.168 7.240 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.649 6.038 5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.036 6.145 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.153 6.829 5.414 1.00 0.00 H new ATOM 389 N GLU A 21 2.667 11.198 4.092 1.00 0.00 N ATOM 390 CA GLU A 21 2.426 12.646 4.351 1.00 0.00 C ATOM 391 C GLU A 21 2.151 13.360 3.024 1.00 0.00 C ATOM 392 O GLU A 21 2.767 13.076 2.017 1.00 0.00 O ATOM 393 CB GLU A 21 3.658 13.259 5.017 1.00 0.00 C ATOM 394 CG GLU A 21 3.351 14.698 5.437 1.00 0.00 C ATOM 395 CD GLU A 21 2.322 14.691 6.569 1.00 0.00 C ATOM 396 OE1 GLU A 21 2.249 13.693 7.269 1.00 0.00 O ATOM 397 OE2 GLU A 21 1.627 15.681 6.718 1.00 0.00 O ATOM 0 H GLU A 21 3.605 10.964 3.767 1.00 0.00 H new ATOM 0 HA GLU A 21 1.566 12.760 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.945 12.669 5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.502 13.243 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.264 15.195 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.968 15.262 4.587 1.00 0.00 H new ATOM 404 N LYS A 22 1.228 14.281 3.018 1.00 0.00 N ATOM 405 CA LYS A 22 0.908 15.010 1.757 1.00 0.00 C ATOM 406 C LYS A 22 1.908 16.144 1.539 1.00 0.00 C ATOM 407 O LYS A 22 2.861 16.016 0.798 1.00 0.00 O ATOM 408 CB LYS A 22 -0.502 15.593 1.863 1.00 0.00 C ATOM 409 CG LYS A 22 -0.783 16.472 0.644 1.00 0.00 C ATOM 410 CD LYS A 22 -2.255 16.886 0.638 1.00 0.00 C ATOM 411 CE LYS A 22 -2.522 17.842 1.802 1.00 0.00 C ATOM 412 NZ LYS A 22 -3.801 18.569 1.565 1.00 0.00 N ATOM 0 H LYS A 22 0.681 14.561 3.832 1.00 0.00 H new ATOM 0 HA LYS A 22 0.965 14.319 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.236 14.789 1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.597 16.179 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.146 17.356 0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.544 15.930 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.504 17.369 -0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.892 16.005 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.575 17.286 2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.701 18.552 1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.983 19.219 2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.733 19.111 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.581 17.885 1.493 1.00 0.00 H new ATOM 426 N GLY A 23 1.694 17.256 2.181 1.00 0.00 N ATOM 427 CA GLY A 23 2.626 18.408 2.015 1.00 0.00 C ATOM 428 C GLY A 23 4.064 17.943 2.241 1.00 0.00 C ATOM 429 O GLY A 23 4.998 18.494 1.695 1.00 0.00 O ATOM 0 H GLY A 23 0.912 17.419 2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.523 18.831 1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.373 19.198 2.723 1.00 0.00 H new ATOM 433 N GLY A 24 4.253 16.931 3.044 1.00 0.00 N ATOM 434 CA GLY A 24 5.634 16.435 3.303 1.00 0.00 C ATOM 435 C GLY A 24 6.279 16.004 1.983 1.00 0.00 C ATOM 436 O GLY A 24 5.600 15.677 1.031 1.00 0.00 O ATOM 0 H GLY A 24 3.512 16.427 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.230 17.217 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.606 15.595 3.997 1.00 0.00 H new ATOM 440 N PRO A 25 7.586 16.004 1.930 1.00 0.00 N ATOM 441 CA PRO A 25 8.346 15.606 0.710 1.00 0.00 C ATOM 442 C PRO A 25 8.304 14.095 0.478 1.00 0.00 C ATOM 443 O PRO A 25 7.629 13.369 1.182 1.00 0.00 O ATOM 444 CB PRO A 25 9.775 16.053 1.013 1.00 0.00 C ATOM 445 CG PRO A 25 9.877 16.023 2.498 1.00 0.00 C ATOM 446 CD PRO A 25 8.489 16.381 3.031 1.00 0.00 C ATOM 0 HA PRO A 25 7.930 16.053 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.504 15.386 0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.968 17.053 0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.185 15.037 2.847 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.624 16.734 2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.257 15.834 3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.412 17.442 3.267 1.00 0.00 H new ATOM 454 N HIS A 26 9.025 13.616 -0.497 1.00 0.00 N ATOM 455 CA HIS A 26 9.031 12.152 -0.766 1.00 0.00 C ATOM 456 C HIS A 26 10.355 11.556 -0.284 1.00 0.00 C ATOM 457 O HIS A 26 11.416 12.098 -0.526 1.00 0.00 O ATOM 458 CB HIS A 26 8.887 11.907 -2.270 1.00 0.00 C ATOM 459 CG HIS A 26 7.570 12.453 -2.750 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.387 11.737 -2.638 1.00 0.00 N ATOM 461 CD2 HIS A 26 7.236 13.639 -3.355 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.406 12.491 -3.166 1.00 0.00 C ATOM 463 NE2 HIS A 26 5.871 13.657 -3.615 1.00 0.00 N ATOM 0 H HIS A 26 9.610 14.175 -1.118 1.00 0.00 H new ATOM 0 HA HIS A 26 8.200 11.682 -0.239 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.707 12.385 -2.806 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.948 10.839 -2.482 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.927 14.435 -3.592 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.370 12.189 -3.220 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.337 14.405 -4.057 1.00 0.00 H new ATOM 472 N LYS A 27 10.304 10.441 0.394 1.00 0.00 N ATOM 473 CA LYS A 27 11.565 9.817 0.884 1.00 0.00 C ATOM 474 C LYS A 27 11.985 8.715 -0.092 1.00 0.00 C ATOM 475 O LYS A 27 12.108 8.943 -1.279 1.00 0.00 O ATOM 476 CB LYS A 27 11.330 9.216 2.274 1.00 0.00 C ATOM 477 CG LYS A 27 12.675 8.930 2.947 1.00 0.00 C ATOM 478 CD LYS A 27 12.436 8.268 4.305 1.00 0.00 C ATOM 479 CE LYS A 27 13.765 8.128 5.048 1.00 0.00 C ATOM 480 NZ LYS A 27 14.592 7.074 4.396 1.00 0.00 N ATOM 0 H LYS A 27 9.448 9.938 0.628 1.00 0.00 H new ATOM 0 HA LYS A 27 12.352 10.569 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.746 9.905 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.752 8.296 2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.279 8.279 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.234 9.857 3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.739 8.864 4.894 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.979 7.288 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.298 9.079 5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.585 7.870 6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.424 6.872 4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.027 6.208 4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.903 7.406 3.461 1.00 0.00 H new ATOM 494 N VAL A 28 12.199 7.522 0.391 1.00 0.00 N ATOM 495 CA VAL A 28 12.602 6.415 -0.519 1.00 0.00 C ATOM 496 C VAL A 28 11.472 6.152 -1.516 1.00 0.00 C ATOM 497 O VAL A 28 11.707 5.899 -2.683 1.00 0.00 O ATOM 498 CB VAL A 28 12.870 5.150 0.297 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.128 3.976 -0.650 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.099 5.369 1.184 1.00 0.00 C ATOM 0 H VAL A 28 12.112 7.267 1.375 1.00 0.00 H new ATOM 0 HA VAL A 28 13.509 6.693 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 28 12.004 4.929 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.319 3.074 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.255 3.821 -1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.994 4.195 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.292 4.468 1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.964 5.589 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.916 6.206 1.859 1.00 0.00 H new ATOM 510 N GLY A 29 10.248 6.212 -1.063 1.00 0.00 N ATOM 511 CA GLY A 29 9.093 5.970 -1.975 1.00 0.00 C ATOM 512 C GLY A 29 8.122 7.149 -1.892 1.00 0.00 C ATOM 513 O GLY A 29 8.197 7.964 -0.993 1.00 0.00 O ATOM 0 H GLY A 29 9.998 6.419 -0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.444 5.846 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.585 5.046 -1.698 1.00 0.00 H new ATOM 517 N PRO A 30 7.218 7.234 -2.828 1.00 0.00 N ATOM 518 CA PRO A 30 6.201 8.329 -2.880 1.00 0.00 C ATOM 519 C PRO A 30 5.274 8.310 -1.659 1.00 0.00 C ATOM 520 O PRO A 30 4.984 7.270 -1.111 1.00 0.00 O ATOM 521 CB PRO A 30 5.413 8.045 -4.163 1.00 0.00 C ATOM 522 CG PRO A 30 5.669 6.609 -4.484 1.00 0.00 C ATOM 523 CD PRO A 30 7.060 6.290 -3.942 1.00 0.00 C ATOM 0 HA PRO A 30 6.666 9.315 -2.873 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.349 8.230 -4.018 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.741 8.693 -4.976 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.916 5.968 -4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.622 6.437 -5.559 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.132 5.256 -3.605 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.829 6.432 -4.701 1.00 0.00 H new ATOM 531 N ASN A 31 4.807 9.451 -1.230 1.00 0.00 N ATOM 532 CA ASN A 31 3.905 9.486 -0.042 1.00 0.00 C ATOM 533 C ASN A 31 2.482 9.110 -0.470 1.00 0.00 C ATOM 534 O ASN A 31 1.995 9.549 -1.491 1.00 0.00 O ATOM 535 CB ASN A 31 3.894 10.899 0.546 1.00 0.00 C ATOM 536 CG ASN A 31 5.330 11.406 0.712 1.00 0.00 C ATOM 537 OD1 ASN A 31 6.245 10.609 1.193 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 5.622 12.543 0.399 1.00 0.00 N flip ATOM 0 H ASN A 31 5.010 10.359 -1.649 1.00 0.00 H new ATOM 0 HA ASN A 31 4.263 8.778 0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.336 11.570 -0.107 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.386 10.897 1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.909 13.168 0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.580 12.873 0.512 1.00 0.00 H new ATOM 545 N LEU A 32 1.810 8.302 0.309 1.00 0.00 N ATOM 546 CA LEU A 32 0.418 7.904 -0.051 1.00 0.00 C ATOM 547 C LEU A 32 -0.584 8.737 0.751 1.00 0.00 C ATOM 548 O LEU A 32 -0.437 8.930 1.942 1.00 0.00 O ATOM 549 CB LEU A 32 0.205 6.421 0.266 1.00 0.00 C ATOM 550 CG LEU A 32 0.958 5.563 -0.753 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.463 5.760 -0.576 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.609 4.090 -0.529 1.00 0.00 C ATOM 0 H LEU A 32 2.165 7.902 1.177 1.00 0.00 H new ATOM 0 HA LEU A 32 0.266 8.076 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.558 6.200 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.858 6.183 0.241 1.00 0.00 H new ATOM 0 HG LEU A 32 0.670 5.860 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.998 5.148 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.713 6.809 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.753 5.463 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.144 3.475 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.899 3.797 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.464 3.947 -0.654 1.00 0.00 H new ATOM 564 N HIS A 33 -1.608 9.223 0.106 1.00 0.00 N ATOM 565 CA HIS A 33 -2.633 10.034 0.823 1.00 0.00 C ATOM 566 C HIS A 33 -3.885 10.134 -0.047 1.00 0.00 C ATOM 567 O HIS A 33 -3.960 10.937 -0.955 1.00 0.00 O ATOM 568 CB HIS A 33 -2.081 11.436 1.094 1.00 0.00 C ATOM 569 CG HIS A 33 -3.106 12.241 1.844 1.00 0.00 C ATOM 570 ND1 HIS A 33 -4.021 13.060 1.198 1.00 0.00 N ATOM 571 CD2 HIS A 33 -3.374 12.364 3.186 1.00 0.00 C ATOM 572 CE1 HIS A 33 -4.789 13.635 2.142 1.00 0.00 C ATOM 573 NE2 HIS A 33 -4.435 13.244 3.367 1.00 0.00 N ATOM 0 H HIS A 33 -1.780 9.093 -0.891 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.881 9.559 1.772 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.160 11.370 1.673 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.832 11.929 0.154 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.843 11.856 3.977 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.592 14.327 1.934 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.855 13.531 4.251 1.00 0.00 H new ATOM 582 N GLY A 34 -4.866 9.316 0.215 1.00 0.00 N ATOM 583 CA GLY A 34 -6.106 9.358 -0.606 1.00 0.00 C ATOM 584 C GLY A 34 -5.901 8.498 -1.852 1.00 0.00 C ATOM 585 O GLY A 34 -6.708 8.491 -2.759 1.00 0.00 O ATOM 0 H GLY A 34 -4.862 8.621 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.954 8.989 -0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.336 10.385 -0.890 1.00 0.00 H new ATOM 589 N ILE A 35 -4.817 7.771 -1.898 1.00 0.00 N ATOM 590 CA ILE A 35 -4.540 6.907 -3.078 1.00 0.00 C ATOM 591 C ILE A 35 -5.701 5.933 -3.281 1.00 0.00 C ATOM 592 O ILE A 35 -5.919 5.430 -4.365 1.00 0.00 O ATOM 593 CB ILE A 35 -3.247 6.122 -2.838 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.758 5.515 -4.155 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.514 5.000 -1.831 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.302 5.070 -4.002 1.00 0.00 C ATOM 0 H ILE A 35 -4.109 7.739 -1.164 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.430 7.527 -3.968 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.484 6.795 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.382 4.665 -4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.843 6.246 -4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.595 4.440 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.859 5.430 -0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.278 4.331 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.953 4.638 -4.940 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.683 5.930 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.231 4.324 -3.210 1.00 0.00 H new ATOM 608 N PHE A 36 -6.447 5.662 -2.248 1.00 0.00 N ATOM 609 CA PHE A 36 -7.589 4.722 -2.383 1.00 0.00 C ATOM 610 C PHE A 36 -8.659 5.345 -3.282 1.00 0.00 C ATOM 611 O PHE A 36 -8.994 6.506 -3.152 1.00 0.00 O ATOM 612 CB PHE A 36 -8.177 4.454 -0.998 1.00 0.00 C ATOM 613 CG PHE A 36 -7.166 3.709 -0.160 1.00 0.00 C ATOM 614 CD1 PHE A 36 -6.237 4.418 0.615 1.00 0.00 C ATOM 615 CD2 PHE A 36 -7.159 2.310 -0.153 1.00 0.00 C ATOM 616 CE1 PHE A 36 -5.303 3.726 1.393 1.00 0.00 C ATOM 617 CE2 PHE A 36 -6.224 1.618 0.625 1.00 0.00 C ATOM 618 CZ PHE A 36 -5.297 2.325 1.399 1.00 0.00 C ATOM 0 H PHE A 36 -6.314 6.052 -1.315 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.248 3.786 -2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.443 5.394 -0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.093 3.870 -1.086 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.243 5.498 0.611 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.876 1.764 -0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.586 4.272 1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.218 0.538 0.628 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.577 1.791 2.001 1.00 0.00 H new ATOM 628 N GLY A 37 -9.195 4.584 -4.196 1.00 0.00 N ATOM 629 CA GLY A 37 -10.241 5.132 -5.105 1.00 0.00 C ATOM 630 C GLY A 37 -9.587 6.059 -6.131 1.00 0.00 C ATOM 631 O GLY A 37 -10.234 6.901 -6.721 1.00 0.00 O ATOM 0 H GLY A 37 -8.954 3.605 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.760 4.319 -5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.989 5.678 -4.530 1.00 0.00 H new ATOM 635 N ARG A 38 -8.305 5.917 -6.346 1.00 0.00 N ATOM 636 CA ARG A 38 -7.613 6.797 -7.329 1.00 0.00 C ATOM 637 C ARG A 38 -6.652 5.968 -8.186 1.00 0.00 C ATOM 638 O ARG A 38 -6.328 4.842 -7.864 1.00 0.00 O ATOM 639 CB ARG A 38 -6.828 7.879 -6.587 1.00 0.00 C ATOM 640 CG ARG A 38 -7.796 8.768 -5.805 1.00 0.00 C ATOM 641 CD ARG A 38 -7.032 9.946 -5.201 1.00 0.00 C ATOM 642 NE ARG A 38 -7.909 10.661 -4.231 1.00 0.00 N ATOM 643 CZ ARG A 38 -7.504 11.774 -3.683 1.00 0.00 C ATOM 644 NH1 ARG A 38 -6.331 12.261 -3.982 1.00 0.00 N ATOM 645 NH2 ARG A 38 -8.271 12.400 -2.833 1.00 0.00 N ATOM 0 H ARG A 38 -7.710 5.230 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.358 7.264 -7.974 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.110 7.420 -5.908 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.258 8.480 -7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.585 9.132 -6.463 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.279 8.192 -5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.131 9.591 -4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.711 10.628 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.826 10.280 -3.995 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.729 11.772 -4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.016 13.131 -3.553 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.187 12.019 -2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.954 13.270 -2.405 1.00 0.00 H new ATOM 659 N HIS A 39 -6.194 6.520 -9.276 1.00 0.00 N ATOM 660 CA HIS A 39 -5.252 5.777 -10.158 1.00 0.00 C ATOM 661 C HIS A 39 -3.816 6.198 -9.842 1.00 0.00 C ATOM 662 O HIS A 39 -3.571 7.282 -9.351 1.00 0.00 O ATOM 663 CB HIS A 39 -5.567 6.092 -11.622 1.00 0.00 C ATOM 664 CG HIS A 39 -6.940 5.583 -11.962 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.074 6.375 -11.846 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.380 4.363 -12.416 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.130 5.630 -12.221 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.760 4.399 -12.575 1.00 0.00 N ATOM 0 H HIS A 39 -6.434 7.459 -9.595 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.362 4.706 -9.986 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.514 7.167 -11.793 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.825 5.629 -12.272 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.751 3.509 -12.618 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.150 5.985 -12.234 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.364 3.642 -12.896 1.00 0.00 H new ATOM 677 N SER A 40 -2.863 5.347 -10.111 1.00 0.00 N ATOM 678 CA SER A 40 -1.445 5.694 -9.816 1.00 0.00 C ATOM 679 C SER A 40 -0.997 6.856 -10.706 1.00 0.00 C ATOM 680 O SER A 40 -1.592 7.138 -11.726 1.00 0.00 O ATOM 681 CB SER A 40 -0.554 4.483 -10.091 1.00 0.00 C ATOM 682 OG SER A 40 -0.368 4.346 -11.493 1.00 0.00 O ATOM 0 H SER A 40 -3.007 4.425 -10.523 1.00 0.00 H new ATOM 0 HA SER A 40 -1.362 5.985 -8.769 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.409 4.605 -9.595 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.010 3.581 -9.683 1.00 0.00 H new ATOM 0 HG SER A 40 -1.221 4.110 -11.915 1.00 0.00 H new ATOM 688 N GLY A 41 0.057 7.526 -10.325 1.00 0.00 N ATOM 689 CA GLY A 41 0.560 8.664 -11.143 1.00 0.00 C ATOM 690 C GLY A 41 0.022 9.984 -10.587 1.00 0.00 C ATOM 691 O GLY A 41 0.546 11.044 -10.868 1.00 0.00 O ATOM 0 H GLY A 41 0.593 7.332 -9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.650 8.674 -11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.249 8.543 -12.181 1.00 0.00 H new ATOM 695 N GLN A 42 -1.019 9.935 -9.802 1.00 0.00 N ATOM 696 CA GLN A 42 -1.583 11.193 -9.236 1.00 0.00 C ATOM 697 C GLN A 42 -0.543 11.877 -8.347 1.00 0.00 C ATOM 698 O GLN A 42 -0.449 13.087 -8.307 1.00 0.00 O ATOM 699 CB GLN A 42 -2.829 10.879 -8.407 1.00 0.00 C ATOM 700 CG GLN A 42 -3.493 12.190 -7.983 1.00 0.00 C ATOM 701 CD GLN A 42 -4.668 11.894 -7.051 1.00 0.00 C ATOM 702 OE1 GLN A 42 -4.515 11.209 -6.058 1.00 0.00 O ATOM 703 NE2 GLN A 42 -5.845 12.387 -7.328 1.00 0.00 N ATOM 0 H GLN A 42 -1.503 9.080 -9.528 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.852 11.858 -10.057 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.526 10.276 -8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.558 10.294 -7.528 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.768 12.829 -7.479 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.841 12.733 -8.861 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.974 12.962 -8.161 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.635 12.197 -6.712 1.00 0.00 H new ATOM 712 N ALA A 43 0.235 11.116 -7.627 1.00 0.00 N ATOM 713 CA ALA A 43 1.257 11.735 -6.736 1.00 0.00 C ATOM 714 C ALA A 43 2.172 12.638 -7.564 1.00 0.00 C ATOM 715 O ALA A 43 2.544 12.313 -8.673 1.00 0.00 O ATOM 716 CB ALA A 43 2.093 10.638 -6.071 1.00 0.00 C ATOM 0 H ALA A 43 0.208 10.096 -7.617 1.00 0.00 H new ATOM 0 HA ALA A 43 0.757 12.325 -5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.839 11.093 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.443 9.992 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.593 10.046 -6.838 1.00 0.00 H new ATOM 722 N GLU A 44 2.536 13.774 -7.028 1.00 0.00 N ATOM 723 CA GLU A 44 3.425 14.709 -7.775 1.00 0.00 C ATOM 724 C GLU A 44 4.666 15.010 -6.933 1.00 0.00 C ATOM 725 O GLU A 44 4.635 14.949 -5.720 1.00 0.00 O ATOM 726 CB GLU A 44 2.670 16.009 -8.057 1.00 0.00 C ATOM 727 CG GLU A 44 1.427 15.705 -8.894 1.00 0.00 C ATOM 728 CD GLU A 44 0.713 17.012 -9.246 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.097 18.037 -8.705 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.202 16.968 -10.051 1.00 0.00 O ATOM 0 H GLU A 44 2.254 14.094 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 44 3.728 14.253 -8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.383 16.486 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.316 16.710 -8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.710 15.177 -9.805 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.755 15.049 -8.340 1.00 0.00 H new ATOM 737 N GLY A 45 5.759 15.341 -7.566 1.00 0.00 N ATOM 738 CA GLY A 45 6.999 15.650 -6.800 1.00 0.00 C ATOM 739 C GLY A 45 7.868 14.395 -6.703 1.00 0.00 C ATOM 740 O GLY A 45 8.930 14.409 -6.116 1.00 0.00 O ATOM 0 H GLY A 45 5.846 15.411 -8.580 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.552 16.451 -7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.743 16.005 -5.802 1.00 0.00 H new ATOM 744 N TYR A 46 7.425 13.310 -7.278 1.00 0.00 N ATOM 745 CA TYR A 46 8.228 12.055 -7.219 1.00 0.00 C ATOM 746 C TYR A 46 8.229 11.392 -8.600 1.00 0.00 C ATOM 747 O TYR A 46 7.344 11.610 -9.402 1.00 0.00 O ATOM 748 CB TYR A 46 7.618 11.097 -6.191 1.00 0.00 C ATOM 749 CG TYR A 46 8.549 9.926 -5.986 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.632 10.044 -5.106 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.331 8.726 -6.672 1.00 0.00 C ATOM 752 CE1 TYR A 46 10.499 8.961 -4.915 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.200 7.642 -6.480 1.00 0.00 C ATOM 754 CZ TYR A 46 10.283 7.761 -5.602 1.00 0.00 C ATOM 755 OH TYR A 46 11.137 6.693 -5.412 1.00 0.00 O ATOM 0 H TYR A 46 6.543 13.238 -7.785 1.00 0.00 H new ATOM 0 HA TYR A 46 9.250 12.291 -6.924 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.454 11.615 -5.246 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.645 10.747 -6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.798 10.970 -4.575 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.494 8.635 -7.349 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.335 9.052 -4.237 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.033 6.716 -7.010 1.00 0.00 H new ATOM 0 HH TYR A 46 11.234 6.518 -4.453 1.00 0.00 H new ATOM 765 N SER A 47 9.217 10.590 -8.884 1.00 0.00 N ATOM 766 CA SER A 47 9.274 9.922 -10.214 1.00 0.00 C ATOM 767 C SER A 47 8.665 8.522 -10.113 1.00 0.00 C ATOM 768 O SER A 47 8.759 7.866 -9.095 1.00 0.00 O ATOM 769 CB SER A 47 10.731 9.812 -10.667 1.00 0.00 C ATOM 770 OG SER A 47 10.774 9.279 -11.984 1.00 0.00 O ATOM 0 H SER A 47 9.987 10.368 -8.253 1.00 0.00 H new ATOM 0 HA SER A 47 8.710 10.510 -10.938 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.206 10.793 -10.643 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.289 9.171 -9.984 1.00 0.00 H new ATOM 0 HG SER A 47 11.706 9.209 -12.278 1.00 0.00 H new ATOM 776 N TYR A 48 8.042 8.062 -11.162 1.00 0.00 N ATOM 777 CA TYR A 48 7.423 6.705 -11.129 1.00 0.00 C ATOM 778 C TYR A 48 8.303 5.716 -11.894 1.00 0.00 C ATOM 779 O TYR A 48 8.880 6.039 -12.913 1.00 0.00 O ATOM 780 CB TYR A 48 6.038 6.757 -11.777 1.00 0.00 C ATOM 781 CG TYR A 48 5.042 7.330 -10.800 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.816 8.711 -10.748 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.342 6.475 -9.940 1.00 0.00 C ATOM 784 CE1 TYR A 48 3.889 9.235 -9.838 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.417 6.998 -9.031 1.00 0.00 C ATOM 786 CZ TYR A 48 3.190 8.376 -8.979 1.00 0.00 C ATOM 787 OH TYR A 48 2.275 8.890 -8.082 1.00 0.00 O ATOM 0 H TYR A 48 7.934 8.567 -12.042 1.00 0.00 H new ATOM 0 HA TYR A 48 7.330 6.380 -10.093 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.070 7.368 -12.679 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.730 5.757 -12.081 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.356 9.372 -11.409 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.517 5.410 -9.979 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.713 10.300 -9.798 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.878 6.337 -8.369 1.00 0.00 H new ATOM 0 HH TYR A 48 2.202 8.291 -7.310 1.00 0.00 H new ATOM 797 N THR A 49 8.409 4.513 -11.404 1.00 0.00 N ATOM 798 CA THR A 49 9.248 3.493 -12.092 1.00 0.00 C ATOM 799 C THR A 49 8.528 3.001 -13.348 1.00 0.00 C ATOM 800 O THR A 49 7.314 2.975 -13.413 1.00 0.00 O ATOM 801 CB THR A 49 9.496 2.314 -11.150 1.00 0.00 C ATOM 802 OG1 THR A 49 10.061 2.790 -9.936 1.00 0.00 O ATOM 803 CG2 THR A 49 10.460 1.328 -11.812 1.00 0.00 C ATOM 0 H THR A 49 7.949 4.191 -10.553 1.00 0.00 H new ATOM 0 HA THR A 49 10.202 3.939 -12.373 1.00 0.00 H new ATOM 0 HB THR A 49 8.552 1.811 -10.938 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.219 2.036 -9.331 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.638 0.487 -11.142 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.026 0.964 -12.743 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.405 1.829 -12.024 1.00 0.00 H new ATOM 811 N ASP A 50 9.269 2.613 -14.347 1.00 0.00 N ATOM 812 CA ASP A 50 8.635 2.124 -15.604 1.00 0.00 C ATOM 813 C ASP A 50 7.589 1.057 -15.276 1.00 0.00 C ATOM 814 O ASP A 50 6.583 0.936 -15.944 1.00 0.00 O ATOM 815 CB ASP A 50 9.708 1.523 -16.510 1.00 0.00 C ATOM 816 CG ASP A 50 10.633 2.632 -17.017 1.00 0.00 C ATOM 817 OD1 ASP A 50 10.292 3.789 -16.834 1.00 0.00 O ATOM 818 OD2 ASP A 50 11.664 2.304 -17.580 1.00 0.00 O ATOM 0 H ASP A 50 10.289 2.613 -14.348 1.00 0.00 H new ATOM 0 HA ASP A 50 8.150 2.958 -16.112 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.284 0.777 -15.963 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.242 1.011 -17.352 1.00 0.00 H new ATOM 823 N ALA A 51 7.822 0.273 -14.260 1.00 0.00 N ATOM 824 CA ALA A 51 6.845 -0.795 -13.898 1.00 0.00 C ATOM 825 C ALA A 51 5.425 -0.219 -13.821 1.00 0.00 C ATOM 826 O ALA A 51 4.598 -0.472 -14.675 1.00 0.00 O ATOM 827 CB ALA A 51 7.224 -1.387 -12.538 1.00 0.00 C ATOM 0 H ALA A 51 8.648 0.325 -13.663 1.00 0.00 H new ATOM 0 HA ALA A 51 6.870 -1.570 -14.664 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.512 -2.168 -12.270 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.226 -1.813 -12.593 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.204 -0.603 -11.781 1.00 0.00 H new ATOM 833 N ASN A 52 5.128 0.540 -12.798 1.00 0.00 N ATOM 834 CA ASN A 52 3.754 1.111 -12.666 1.00 0.00 C ATOM 835 C ASN A 52 3.375 1.885 -13.935 1.00 0.00 C ATOM 836 O ASN A 52 2.260 1.803 -14.407 1.00 0.00 O ATOM 837 CB ASN A 52 3.702 2.052 -11.460 1.00 0.00 C ATOM 838 CG ASN A 52 2.266 2.552 -11.254 1.00 0.00 C ATOM 839 OD1 ASN A 52 1.400 1.800 -10.624 1.00 0.00 O flip ATOM 840 ND2 ASN A 52 1.930 3.643 -11.667 1.00 0.00 N flip ATOM 0 H ASN A 52 5.775 0.789 -12.050 1.00 0.00 H new ATOM 0 HA ASN A 52 3.046 0.294 -12.525 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.048 1.533 -10.566 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.372 2.897 -11.617 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.603 4.232 -12.158 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.975 3.971 -11.523 1.00 0.00 H new ATOM 847 N ILE A 53 4.285 2.634 -14.495 1.00 0.00 N ATOM 848 CA ILE A 53 3.953 3.396 -15.725 1.00 0.00 C ATOM 849 C ILE A 53 3.538 2.423 -16.831 1.00 0.00 C ATOM 850 O ILE A 53 2.547 2.619 -17.506 1.00 0.00 O ATOM 851 CB ILE A 53 5.179 4.188 -16.169 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.601 5.146 -15.052 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.835 4.989 -17.419 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.891 5.863 -15.455 1.00 0.00 C ATOM 0 H ILE A 53 5.239 2.749 -14.154 1.00 0.00 H new ATOM 0 HA ILE A 53 3.130 4.082 -15.523 1.00 0.00 H new ATOM 0 HB ILE A 53 5.997 3.502 -16.387 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.811 5.874 -14.865 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.753 4.595 -14.124 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.709 5.556 -17.739 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.532 4.309 -18.215 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.018 5.675 -17.198 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.192 6.545 -14.660 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.679 5.128 -15.620 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.722 6.427 -16.372 1.00 0.00 H new ATOM 866 N LYS A 54 4.288 1.371 -17.016 1.00 0.00 N ATOM 867 CA LYS A 54 3.937 0.379 -18.072 1.00 0.00 C ATOM 868 C LYS A 54 2.556 -0.203 -17.767 1.00 0.00 C ATOM 869 O LYS A 54 1.768 -0.460 -18.655 1.00 0.00 O ATOM 870 CB LYS A 54 4.980 -0.744 -18.083 1.00 0.00 C ATOM 871 CG LYS A 54 4.706 -1.712 -19.240 1.00 0.00 C ATOM 872 CD LYS A 54 5.242 -1.124 -20.549 1.00 0.00 C ATOM 873 CE LYS A 54 5.169 -2.184 -21.650 1.00 0.00 C ATOM 874 NZ LYS A 54 6.038 -1.775 -22.791 1.00 0.00 N ATOM 0 H LYS A 54 5.129 1.155 -16.481 1.00 0.00 H new ATOM 0 HA LYS A 54 3.923 0.864 -19.048 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.979 -0.321 -18.183 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.955 -1.282 -17.136 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.180 -2.673 -19.042 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.635 -1.897 -19.326 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.658 -0.248 -20.833 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.272 -0.792 -20.417 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.491 -3.150 -21.262 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.139 -2.303 -21.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.989 -2.495 -23.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.711 -0.862 -23.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.021 -1.683 -22.463 1.00 0.00 H new ATOM 888 N LYS A 55 2.262 -0.409 -16.511 1.00 0.00 N ATOM 889 CA LYS A 55 0.935 -0.972 -16.130 1.00 0.00 C ATOM 890 C LYS A 55 0.291 -0.075 -15.075 1.00 0.00 C ATOM 891 O LYS A 55 0.800 0.078 -13.983 1.00 0.00 O ATOM 892 CB LYS A 55 1.133 -2.378 -15.553 1.00 0.00 C ATOM 893 CG LYS A 55 -0.219 -2.965 -15.143 1.00 0.00 C ATOM 894 CD LYS A 55 -0.012 -4.364 -14.560 1.00 0.00 C ATOM 895 CE LYS A 55 -1.371 -5.013 -14.292 1.00 0.00 C ATOM 896 NZ LYS A 55 -1.353 -5.672 -12.956 1.00 0.00 N ATOM 0 H LYS A 55 2.887 -0.211 -15.730 1.00 0.00 H new ATOM 0 HA LYS A 55 0.290 -1.023 -17.007 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.610 -3.021 -16.293 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.798 -2.337 -14.691 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.699 -2.320 -14.407 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.883 -3.014 -16.006 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.565 -4.976 -15.253 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.562 -4.303 -13.635 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.159 -4.260 -14.327 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.595 -5.745 -15.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.277 -6.113 -12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.612 -6.401 -12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.158 -4.962 -12.221 1.00 0.00 H new ATOM 910 N ASN A 56 -0.829 0.516 -15.390 1.00 0.00 N ATOM 911 CA ASN A 56 -1.505 1.400 -14.400 1.00 0.00 C ATOM 912 C ASN A 56 -2.671 0.644 -13.769 1.00 0.00 C ATOM 913 O ASN A 56 -3.433 -0.018 -14.444 1.00 0.00 O ATOM 914 CB ASN A 56 -2.026 2.660 -15.089 1.00 0.00 C ATOM 915 CG ASN A 56 -2.288 3.734 -14.032 1.00 0.00 C ATOM 916 OD1 ASN A 56 -2.125 3.440 -12.769 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -2.646 4.850 -14.356 1.00 0.00 N flip ATOM 0 H ASN A 56 -1.304 0.425 -16.288 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.791 1.690 -13.630 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.299 3.019 -15.818 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.943 2.438 -15.636 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.773 5.079 -15.342 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.819 5.557 -13.642 1.00 0.00 H new ATOM 924 N VAL A 57 -2.805 0.726 -12.476 1.00 0.00 N ATOM 925 CA VAL A 57 -3.909 0.003 -11.789 1.00 0.00 C ATOM 926 C VAL A 57 -4.626 0.946 -10.822 1.00 0.00 C ATOM 927 O VAL A 57 -4.032 1.841 -10.253 1.00 0.00 O ATOM 928 CB VAL A 57 -3.324 -1.173 -11.012 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.330 -0.646 -9.978 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.451 -1.926 -10.301 1.00 0.00 C ATOM 0 H VAL A 57 -2.194 1.265 -11.863 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.623 -0.358 -12.529 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.815 -1.850 -11.698 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.909 -1.482 -9.419 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.529 -0.107 -10.485 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.842 0.028 -9.291 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.034 -2.766 -9.746 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.960 -1.253 -9.612 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.163 -2.296 -11.039 1.00 0.00 H new ATOM 940 N LEU A 58 -5.903 0.749 -10.630 1.00 0.00 N ATOM 941 CA LEU A 58 -6.662 1.628 -9.697 1.00 0.00 C ATOM 942 C LEU A 58 -6.403 1.175 -8.264 1.00 0.00 C ATOM 943 O LEU A 58 -6.482 0.004 -7.950 1.00 0.00 O ATOM 944 CB LEU A 58 -8.160 1.511 -9.998 1.00 0.00 C ATOM 945 CG LEU A 58 -8.936 2.592 -9.234 1.00 0.00 C ATOM 946 CD1 LEU A 58 -10.353 2.685 -9.791 1.00 0.00 C ATOM 947 CD2 LEU A 58 -9.019 2.248 -7.741 1.00 0.00 C ATOM 0 H LEU A 58 -6.453 0.017 -11.080 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.342 2.662 -9.823 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.333 1.616 -11.069 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.520 0.523 -9.712 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.414 3.541 -9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.907 3.452 -9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.312 2.945 -10.849 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.854 1.724 -9.673 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.573 3.028 -7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.530 1.293 -7.615 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.013 2.178 -7.327 1.00 0.00 H new ATOM 959 N TRP A 59 -6.095 2.087 -7.386 1.00 0.00 N ATOM 960 CA TRP A 59 -5.838 1.693 -5.976 1.00 0.00 C ATOM 961 C TRP A 59 -7.131 1.804 -5.166 1.00 0.00 C ATOM 962 O TRP A 59 -7.619 2.883 -4.893 1.00 0.00 O ATOM 963 CB TRP A 59 -4.779 2.616 -5.375 1.00 0.00 C ATOM 964 CG TRP A 59 -3.469 2.366 -6.045 1.00 0.00 C ATOM 965 CD1 TRP A 59 -2.908 3.169 -6.975 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.549 1.254 -5.856 1.00 0.00 C ATOM 967 NE1 TRP A 59 -1.703 2.620 -7.372 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.437 1.440 -6.710 1.00 0.00 C ATOM 969 CE3 TRP A 59 -2.571 0.114 -5.036 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.384 0.527 -6.749 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.512 -0.806 -5.071 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.421 -0.600 -5.926 1.00 0.00 C ATOM 0 H TRP A 59 -6.011 3.084 -7.583 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.482 0.663 -5.948 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.073 3.658 -5.503 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.692 2.439 -4.303 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.332 4.090 -7.348 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.086 3.037 -8.069 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.408 -0.056 -4.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.454 0.690 -7.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -1.538 -1.678 -4.435 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.390 -1.312 -5.948 1.00 0.00 H new ATOM 983 N ASP A 60 -7.677 0.687 -4.773 1.00 0.00 N ATOM 984 CA ASP A 60 -8.929 0.691 -3.968 1.00 0.00 C ATOM 985 C ASP A 60 -8.777 -0.325 -2.835 1.00 0.00 C ATOM 986 O ASP A 60 -7.849 -1.107 -2.817 1.00 0.00 O ATOM 987 CB ASP A 60 -10.115 0.297 -4.851 1.00 0.00 C ATOM 988 CG ASP A 60 -11.420 0.499 -4.078 1.00 0.00 C ATOM 989 OD1 ASP A 60 -11.365 1.074 -3.004 1.00 0.00 O ATOM 990 OD2 ASP A 60 -12.450 0.079 -4.576 1.00 0.00 O ATOM 0 H ASP A 60 -7.304 -0.240 -4.978 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.107 1.687 -3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.121 0.900 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.021 -0.744 -5.160 1.00 0.00 H new ATOM 995 N GLU A 61 -9.670 -0.323 -1.884 1.00 0.00 N ATOM 996 CA GLU A 61 -9.544 -1.296 -0.764 1.00 0.00 C ATOM 997 C GLU A 61 -9.485 -2.716 -1.332 1.00 0.00 C ATOM 998 O GLU A 61 -8.764 -3.561 -0.840 1.00 0.00 O ATOM 999 CB GLU A 61 -10.756 -1.170 0.162 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.761 0.216 0.809 1.00 0.00 C ATOM 1001 CD GLU A 61 -11.933 0.318 1.786 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -12.752 -0.588 1.795 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -11.993 1.298 2.509 1.00 0.00 O ATOM 0 H GLU A 61 -10.473 0.303 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.634 -1.088 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.676 -1.323 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.722 -1.942 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.821 0.388 1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.844 0.987 0.043 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.231 -2.982 -2.368 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.209 -4.345 -2.970 1.00 0.00 C ATOM 1012 C ASN A 62 -8.874 -4.579 -3.681 1.00 0.00 C ATOM 1013 O ASN A 62 -8.163 -5.523 -3.397 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.346 -4.467 -3.985 1.00 0.00 C ATOM 1015 CG ASN A 62 -11.411 -5.902 -4.507 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.902 -6.787 -3.834 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.926 -6.173 -5.689 1.00 0.00 N ATOM 0 H ASN A 62 -10.854 -2.316 -2.824 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.333 -5.087 -2.182 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.294 -4.194 -3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.186 -3.775 -4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.959 -7.127 -6.047 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.514 -5.430 -6.254 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.535 -3.729 -4.610 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.254 -3.898 -5.353 1.00 0.00 C ATOM 1026 C ASN A 63 -6.065 -3.795 -4.396 1.00 0.00 C ATOM 1027 O ASN A 63 -5.090 -4.508 -4.525 1.00 0.00 O ATOM 1028 CB ASN A 63 -7.141 -2.812 -6.423 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.958 -3.119 -7.342 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -4.943 -2.298 -7.380 1.00 0.00 O flip ATOM 1031 ND2 ASN A 63 -5.955 -4.119 -8.033 1.00 0.00 N flip ATOM 0 H ASN A 63 -9.092 -2.921 -4.888 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.245 -4.882 -5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.062 -2.762 -7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.007 -1.837 -5.954 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.747 -4.761 -8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.160 -4.316 -8.641 1.00 0.00 H new ATOM 1038 N MET A 64 -6.130 -2.907 -3.445 1.00 0.00 N ATOM 1039 CA MET A 64 -4.994 -2.755 -2.495 1.00 0.00 C ATOM 1040 C MET A 64 -4.745 -4.085 -1.777 1.00 0.00 C ATOM 1041 O MET A 64 -3.617 -4.486 -1.570 1.00 0.00 O ATOM 1042 CB MET A 64 -5.329 -1.665 -1.473 1.00 0.00 C ATOM 1043 CG MET A 64 -4.062 -1.268 -0.711 1.00 0.00 C ATOM 1044 SD MET A 64 -2.968 -0.323 -1.804 1.00 0.00 S ATOM 1045 CE MET A 64 -3.781 1.287 -1.628 1.00 0.00 C ATOM 0 H MET A 64 -6.919 -2.281 -3.284 1.00 0.00 H new ATOM 0 HA MET A 64 -4.095 -2.471 -3.042 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.749 -0.795 -1.978 1.00 0.00 H new ATOM 0 HB3 MET A 64 -6.086 -2.026 -0.777 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.323 -0.672 0.163 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.549 -2.159 -0.348 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.437 1.956 -2.416 1.00 0.00 H new ATOM 0 HE2 MET A 64 -4.861 1.160 -1.705 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.535 1.715 -0.656 1.00 0.00 H new ATOM 1055 N SER A 65 -5.787 -4.776 -1.399 1.00 0.00 N ATOM 1056 CA SER A 65 -5.598 -6.081 -0.703 1.00 0.00 C ATOM 1057 C SER A 65 -4.872 -7.052 -1.638 1.00 0.00 C ATOM 1058 O SER A 65 -3.973 -7.763 -1.238 1.00 0.00 O ATOM 1059 CB SER A 65 -6.961 -6.662 -0.328 1.00 0.00 C ATOM 1060 OG SER A 65 -7.695 -5.699 0.418 1.00 0.00 O ATOM 0 H SER A 65 -6.757 -4.495 -1.541 1.00 0.00 H new ATOM 0 HA SER A 65 -5.007 -5.930 0.200 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.511 -6.938 -1.228 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.832 -7.572 0.258 1.00 0.00 H new ATOM 0 HG SER A 65 -8.144 -5.082 -0.197 1.00 0.00 H new ATOM 1066 N GLU A 66 -5.249 -7.078 -2.886 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.576 -7.995 -3.848 1.00 0.00 C ATOM 1068 C GLU A 66 -3.106 -7.598 -3.970 1.00 0.00 C ATOM 1069 O GLU A 66 -2.244 -8.424 -4.200 1.00 0.00 O ATOM 1070 CB GLU A 66 -5.251 -7.887 -5.217 1.00 0.00 C ATOM 1071 CG GLU A 66 -4.654 -8.931 -6.165 1.00 0.00 C ATOM 1072 CD GLU A 66 -5.254 -8.759 -7.560 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -6.054 -7.852 -7.731 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -4.905 -9.534 -8.434 1.00 0.00 O ATOM 0 H GLU A 66 -5.994 -6.504 -3.281 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.651 -9.022 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.325 -8.043 -5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.110 -6.886 -5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.570 -8.821 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.858 -9.935 -5.792 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.816 -6.335 -3.823 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.409 -5.870 -3.935 1.00 0.00 C ATOM 1083 C HIS A 67 -0.542 -6.610 -2.917 1.00 0.00 C ATOM 1084 O HIS A 67 0.521 -7.104 -3.233 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.366 -4.369 -3.644 1.00 0.00 C ATOM 1086 CG HIS A 67 0.000 -3.835 -3.968 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.524 -3.889 -5.249 1.00 0.00 N ATOM 1088 CD2 HIS A 67 0.956 -3.222 -3.195 1.00 0.00 C ATOM 1089 CE1 HIS A 67 1.744 -3.325 -5.212 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.051 -2.905 -3.986 1.00 0.00 N ATOM 0 H HIS A 67 -3.499 -5.602 -3.629 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.031 -6.068 -4.938 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.120 -3.851 -4.236 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.601 -4.184 -2.596 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.067 -4.285 -6.071 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.869 -3.019 -2.138 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.394 -3.225 -6.069 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.989 -6.682 -1.698 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.204 -7.382 -0.647 1.00 0.00 C ATOM 1101 C LEU A 68 -0.175 -8.887 -0.929 1.00 0.00 C ATOM 1102 O LEU A 68 0.763 -9.573 -0.585 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.853 -7.126 0.712 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.959 -5.618 0.950 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -1.600 -5.357 2.311 1.00 0.00 C ATOM 1106 CD2 LEU A 68 0.436 -4.994 0.924 1.00 0.00 C ATOM 0 H LEU A 68 -1.872 -6.283 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 68 0.819 -7.005 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.843 -7.581 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.262 -7.589 1.502 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.572 -5.175 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.674 -4.282 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.597 -5.798 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.987 -5.804 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.357 -3.920 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.049 -5.441 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.898 -5.175 -0.047 1.00 0.00 H new ATOM 1118 N THR A 69 -1.202 -9.410 -1.537 1.00 0.00 N ATOM 1119 CA THR A 69 -1.232 -10.875 -1.822 1.00 0.00 C ATOM 1120 C THR A 69 -0.087 -11.266 -2.765 1.00 0.00 C ATOM 1121 O THR A 69 0.525 -12.304 -2.609 1.00 0.00 O ATOM 1122 CB THR A 69 -2.569 -11.240 -2.472 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.634 -10.773 -1.654 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.668 -12.758 -2.619 1.00 0.00 C ATOM 0 H THR A 69 -2.022 -8.889 -1.849 1.00 0.00 H new ATOM 0 HA THR A 69 -1.114 -11.415 -0.883 1.00 0.00 H new ATOM 0 HB THR A 69 -2.634 -10.776 -3.456 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.711 -9.800 -1.742 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.620 -13.017 -3.082 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.851 -13.117 -3.244 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.604 -13.224 -1.636 1.00 0.00 H new ATOM 1132 N ASN A 70 0.200 -10.456 -3.747 1.00 0.00 N ATOM 1133 CA ASN A 70 1.297 -10.801 -4.699 1.00 0.00 C ATOM 1134 C ASN A 70 1.931 -9.521 -5.257 1.00 0.00 C ATOM 1135 O ASN A 70 1.829 -9.236 -6.434 1.00 0.00 O ATOM 1136 CB ASN A 70 0.717 -11.619 -5.856 1.00 0.00 C ATOM 1137 CG ASN A 70 1.820 -12.477 -6.477 1.00 0.00 C ATOM 1138 OD1 ASN A 70 2.919 -12.008 -6.699 1.00 0.00 O ATOM 1139 ND2 ASN A 70 1.573 -13.724 -6.771 1.00 0.00 N ATOM 0 H ASN A 70 -0.275 -9.573 -3.932 1.00 0.00 H new ATOM 0 HA ASN A 70 2.058 -11.379 -4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.093 -12.254 -5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.292 -10.954 -6.608 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.302 -14.304 -7.187 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.651 -14.119 -6.585 1.00 0.00 H new ATOM 1146 N PRO A 71 2.577 -8.751 -4.422 1.00 0.00 N ATOM 1147 CA PRO A 71 3.232 -7.478 -4.845 1.00 0.00 C ATOM 1148 C PRO A 71 4.371 -7.701 -5.849 1.00 0.00 C ATOM 1149 O PRO A 71 4.765 -6.798 -6.561 1.00 0.00 O ATOM 1150 CB PRO A 71 3.781 -6.883 -3.544 1.00 0.00 C ATOM 1151 CG PRO A 71 3.836 -8.013 -2.570 1.00 0.00 C ATOM 1152 CD PRO A 71 2.754 -9.005 -2.986 1.00 0.00 C ATOM 0 HA PRO A 71 2.524 -6.826 -5.356 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.770 -6.452 -3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.138 -6.083 -3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.818 -8.485 -2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.664 -7.657 -1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.061 -10.034 -2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.828 -8.842 -2.434 1.00 0.00 H new ATOM 1160 N ALA A 72 4.911 -8.888 -5.903 1.00 0.00 N ATOM 1161 CA ALA A 72 6.033 -9.153 -6.850 1.00 0.00 C ATOM 1162 C ALA A 72 5.552 -9.044 -8.303 1.00 0.00 C ATOM 1163 O ALA A 72 6.156 -8.373 -9.114 1.00 0.00 O ATOM 1164 CB ALA A 72 6.580 -10.560 -6.603 1.00 0.00 C ATOM 0 H ALA A 72 4.625 -9.685 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 72 6.815 -8.412 -6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.400 -10.758 -7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.942 -10.635 -5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.788 -11.291 -6.762 1.00 0.00 H new ATOM 1170 N LYS A 73 4.480 -9.706 -8.644 1.00 0.00 N ATOM 1171 CA LYS A 73 3.982 -9.642 -10.050 1.00 0.00 C ATOM 1172 C LYS A 73 3.062 -8.432 -10.226 1.00 0.00 C ATOM 1173 O LYS A 73 2.626 -8.128 -11.320 1.00 0.00 O ATOM 1174 CB LYS A 73 3.213 -10.925 -10.378 1.00 0.00 C ATOM 1175 CG LYS A 73 1.911 -10.970 -9.573 1.00 0.00 C ATOM 1176 CD LYS A 73 1.220 -12.317 -9.796 1.00 0.00 C ATOM 1177 CE LYS A 73 -0.215 -12.250 -9.271 1.00 0.00 C ATOM 1178 NZ LYS A 73 -1.167 -12.350 -10.413 1.00 0.00 N ATOM 0 H LYS A 73 3.928 -10.287 -8.013 1.00 0.00 H new ATOM 0 HA LYS A 73 4.831 -9.543 -10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.993 -10.965 -11.445 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.825 -11.796 -10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.121 -10.828 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.253 -10.157 -9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.219 -12.565 -10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.769 -13.108 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.393 -13.060 -8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.373 -11.316 -8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.143 -12.304 -10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.002 -11.563 -11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.021 -13.253 -10.908 1.00 0.00 H new ATOM 1192 N TYR A 74 2.754 -7.748 -9.162 1.00 0.00 N ATOM 1193 CA TYR A 74 1.852 -6.567 -9.267 1.00 0.00 C ATOM 1194 C TYR A 74 2.506 -5.497 -10.158 1.00 0.00 C ATOM 1195 O TYR A 74 1.895 -4.996 -11.082 1.00 0.00 O ATOM 1196 CB TYR A 74 1.622 -6.016 -7.858 1.00 0.00 C ATOM 1197 CG TYR A 74 0.518 -4.985 -7.853 1.00 0.00 C ATOM 1198 CD1 TYR A 74 0.820 -3.641 -8.070 1.00 0.00 C ATOM 1199 CD2 TYR A 74 -0.804 -5.370 -7.589 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -0.188 -2.677 -8.025 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -1.817 -4.406 -7.551 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.506 -3.057 -7.767 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.492 -2.098 -7.710 1.00 0.00 O ATOM 0 H TYR A 74 3.088 -7.955 -8.221 1.00 0.00 H new ATOM 0 HA TYR A 74 0.899 -6.852 -9.713 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.366 -6.832 -7.182 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.543 -5.569 -7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.838 -3.345 -8.274 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.040 -6.409 -7.415 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.052 -1.637 -8.190 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.837 -4.701 -7.355 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.366 -2.532 -7.618 1.00 0.00 H new ATOM 1213 N ILE A 75 3.747 -5.157 -9.903 1.00 0.00 N ATOM 1214 CA ILE A 75 4.439 -4.133 -10.751 1.00 0.00 C ATOM 1215 C ILE A 75 5.892 -4.552 -10.979 1.00 0.00 C ATOM 1216 O ILE A 75 6.804 -3.967 -10.435 1.00 0.00 O ATOM 1217 CB ILE A 75 4.435 -2.776 -10.051 1.00 0.00 C ATOM 1218 CG1 ILE A 75 4.770 -2.977 -8.568 1.00 0.00 C ATOM 1219 CG2 ILE A 75 3.063 -2.112 -10.210 1.00 0.00 C ATOM 1220 CD1 ILE A 75 4.862 -1.620 -7.875 1.00 0.00 C ATOM 0 H ILE A 75 4.310 -5.543 -9.146 1.00 0.00 H new ATOM 0 HA ILE A 75 3.911 -4.059 -11.702 1.00 0.00 H new ATOM 0 HB ILE A 75 5.184 -2.124 -10.501 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.004 -3.589 -8.091 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.714 -3.513 -8.467 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.067 -1.144 -9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.848 -1.971 -11.269 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.297 -2.748 -9.766 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.100 -1.765 -6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.644 -1.024 -8.345 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.908 -1.101 -7.963 1.00 0.00 H new ATOM 1232 N PRO A 76 6.106 -5.550 -11.779 1.00 0.00 N ATOM 1233 CA PRO A 76 7.474 -6.052 -12.083 1.00 0.00 C ATOM 1234 C PRO A 76 8.401 -4.939 -12.588 1.00 0.00 C ATOM 1235 O PRO A 76 8.028 -4.143 -13.427 1.00 0.00 O ATOM 1236 CB PRO A 76 7.252 -7.096 -13.182 1.00 0.00 C ATOM 1237 CG PRO A 76 5.814 -7.494 -13.085 1.00 0.00 C ATOM 1238 CD PRO A 76 5.065 -6.308 -12.480 1.00 0.00 C ATOM 0 HA PRO A 76 7.959 -6.455 -11.194 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.477 -6.682 -14.165 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.906 -7.957 -13.041 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.415 -7.742 -14.069 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.700 -8.381 -12.462 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.583 -5.706 -13.250 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.282 -6.637 -11.796 1.00 0.00 H new ATOM 1246 N GLY A 77 9.610 -4.892 -12.097 1.00 0.00 N ATOM 1247 CA GLY A 77 10.562 -3.845 -12.566 1.00 0.00 C ATOM 1248 C GLY A 77 10.540 -2.622 -11.640 1.00 0.00 C ATOM 1249 O GLY A 77 11.042 -1.572 -11.992 1.00 0.00 O ATOM 0 H GLY A 77 9.979 -5.532 -11.393 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.570 -4.257 -12.605 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.303 -3.542 -13.580 1.00 0.00 H new ATOM 1253 N THR A 78 9.973 -2.734 -10.464 1.00 0.00 N ATOM 1254 CA THR A 78 9.943 -1.557 -9.541 1.00 0.00 C ATOM 1255 C THR A 78 10.972 -1.741 -8.421 1.00 0.00 C ATOM 1256 O THR A 78 11.571 -2.788 -8.277 1.00 0.00 O ATOM 1257 CB THR A 78 8.535 -1.385 -8.946 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.475 -0.158 -8.235 1.00 0.00 O ATOM 1259 CG2 THR A 78 8.192 -2.539 -7.996 1.00 0.00 C ATOM 0 H THR A 78 9.533 -3.582 -10.105 1.00 0.00 H new ATOM 0 HA THR A 78 10.195 -0.660 -10.106 1.00 0.00 H new ATOM 0 HB THR A 78 7.812 -1.385 -9.762 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.579 -0.043 -7.855 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.191 -2.391 -7.590 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.227 -3.482 -8.542 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.914 -2.565 -7.180 1.00 0.00 H new ATOM 1267 N LYS A 79 11.188 -0.722 -7.632 1.00 0.00 N ATOM 1268 CA LYS A 79 12.184 -0.820 -6.524 1.00 0.00 C ATOM 1269 C LYS A 79 11.487 -1.212 -5.214 1.00 0.00 C ATOM 1270 O LYS A 79 12.054 -1.099 -4.146 1.00 0.00 O ATOM 1271 CB LYS A 79 12.870 0.537 -6.349 1.00 0.00 C ATOM 1272 CG LYS A 79 13.601 0.911 -7.641 1.00 0.00 C ATOM 1273 CD LYS A 79 14.397 2.200 -7.423 1.00 0.00 C ATOM 1274 CE LYS A 79 13.432 3.367 -7.195 1.00 0.00 C ATOM 1275 NZ LYS A 79 14.130 4.652 -7.483 1.00 0.00 N ATOM 0 H LYS A 79 10.715 0.179 -7.708 1.00 0.00 H new ATOM 0 HA LYS A 79 12.921 -1.584 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.132 1.300 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.575 0.495 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.270 0.104 -7.939 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.884 1.046 -8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.059 2.090 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.028 2.401 -8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.559 3.262 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.071 3.359 -6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.475 5.445 -7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.950 4.751 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.453 4.658 -8.472 1.00 0.00 H new ATOM 1289 N MET A 80 10.264 -1.667 -5.283 1.00 0.00 N ATOM 1290 CA MET A 80 9.542 -2.057 -4.032 1.00 0.00 C ATOM 1291 C MET A 80 10.200 -3.293 -3.415 1.00 0.00 C ATOM 1292 O MET A 80 10.514 -4.250 -4.096 1.00 0.00 O ATOM 1293 CB MET A 80 8.080 -2.383 -4.358 1.00 0.00 C ATOM 1294 CG MET A 80 7.251 -1.096 -4.413 1.00 0.00 C ATOM 1295 SD MET A 80 6.187 -1.020 -2.952 1.00 0.00 S ATOM 1296 CE MET A 80 4.774 -1.913 -3.631 1.00 0.00 C ATOM 0 H MET A 80 9.734 -1.786 -6.146 1.00 0.00 H new ATOM 0 HA MET A 80 9.587 -1.227 -3.327 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.020 -2.904 -5.314 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.672 -3.055 -3.603 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.907 -0.226 -4.447 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.647 -1.075 -5.320 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.395 -2.614 -2.887 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.989 -1.205 -3.895 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.083 -2.460 -4.521 1.00 0.00 H new ATOM 1306 N ALA A 81 10.404 -3.277 -2.123 1.00 0.00 N ATOM 1307 CA ALA A 81 11.034 -4.443 -1.440 1.00 0.00 C ATOM 1308 C ALA A 81 10.044 -5.042 -0.438 1.00 0.00 C ATOM 1309 O ALA A 81 10.428 -5.654 0.540 1.00 0.00 O ATOM 1310 CB ALA A 81 12.286 -3.979 -0.699 1.00 0.00 C ATOM 0 H ALA A 81 10.159 -2.500 -1.509 1.00 0.00 H new ATOM 0 HA ALA A 81 11.305 -5.197 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.749 -4.830 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.991 -3.549 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.013 -3.227 0.041 1.00 0.00 H new ATOM 1316 N PHE A 82 8.772 -4.867 -0.670 1.00 0.00 N ATOM 1317 CA PHE A 82 7.755 -5.421 0.272 1.00 0.00 C ATOM 1318 C PHE A 82 7.348 -6.822 -0.194 1.00 0.00 C ATOM 1319 O PHE A 82 7.026 -7.035 -1.345 1.00 0.00 O ATOM 1320 CB PHE A 82 6.528 -4.505 0.283 1.00 0.00 C ATOM 1321 CG PHE A 82 5.551 -4.969 1.338 1.00 0.00 C ATOM 1322 CD1 PHE A 82 4.561 -5.902 1.014 1.00 0.00 C ATOM 1323 CD2 PHE A 82 5.634 -4.466 2.643 1.00 0.00 C ATOM 1324 CE1 PHE A 82 3.656 -6.334 1.988 1.00 0.00 C ATOM 1325 CE2 PHE A 82 4.726 -4.896 3.618 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.738 -5.832 3.291 1.00 0.00 C ATOM 0 H PHE A 82 8.391 -4.364 -1.472 1.00 0.00 H new ATOM 0 HA PHE A 82 8.173 -5.480 1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.832 -3.477 0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.050 -4.511 -0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.495 -6.290 0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.398 -3.747 2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 82 2.893 -7.055 1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.788 -4.505 4.623 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.040 -6.166 4.044 1.00 0.00 H new ATOM 1336 N GLY A 83 7.365 -7.782 0.694 1.00 0.00 N ATOM 1337 CA GLY A 83 6.982 -9.169 0.299 1.00 0.00 C ATOM 1338 C GLY A 83 5.466 -9.331 0.388 1.00 0.00 C ATOM 1339 O GLY A 83 4.759 -8.431 0.792 1.00 0.00 O ATOM 0 H GLY A 83 7.627 -7.665 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.320 -9.374 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.473 -9.892 0.951 1.00 0.00 H new ATOM 1343 N GLY A 84 4.954 -10.474 0.018 1.00 0.00 N ATOM 1344 CA GLY A 84 3.480 -10.682 0.085 1.00 0.00 C ATOM 1345 C GLY A 84 3.092 -11.176 1.481 1.00 0.00 C ATOM 1346 O GLY A 84 3.901 -11.716 2.206 1.00 0.00 O ATOM 0 H GLY A 84 5.491 -11.270 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.961 -9.750 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.171 -11.408 -0.667 1.00 0.00 H new ATOM 1350 N LEU A 85 1.854 -10.996 1.862 1.00 0.00 N ATOM 1351 CA LEU A 85 1.413 -11.457 3.210 1.00 0.00 C ATOM 1352 C LEU A 85 0.616 -12.755 3.068 1.00 0.00 C ATOM 1353 O LEU A 85 -0.237 -12.880 2.214 1.00 0.00 O ATOM 1354 CB LEU A 85 0.527 -10.388 3.852 1.00 0.00 C ATOM 1355 CG LEU A 85 1.276 -9.054 3.894 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.421 -8.015 4.620 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.599 -9.236 4.640 1.00 0.00 C ATOM 0 H LEU A 85 1.131 -10.550 1.298 1.00 0.00 H new ATOM 0 HA LEU A 85 2.287 -11.630 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.397 -10.279 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.248 -10.691 4.861 1.00 0.00 H new ATOM 0 HG LEU A 85 1.476 -8.716 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.953 -7.064 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.523 -7.886 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.223 -8.353 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.133 -8.286 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.400 -9.573 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.208 -9.979 4.125 1.00 0.00 H new ATOM 1369 N LYS A 86 0.884 -13.725 3.902 1.00 0.00 N ATOM 1370 CA LYS A 86 0.136 -15.009 3.811 1.00 0.00 C ATOM 1371 C LYS A 86 -1.078 -14.969 4.743 1.00 0.00 C ATOM 1372 O LYS A 86 -1.878 -15.883 4.770 1.00 0.00 O ATOM 1373 CB LYS A 86 1.054 -16.163 4.218 1.00 0.00 C ATOM 1374 CG LYS A 86 2.246 -16.228 3.262 1.00 0.00 C ATOM 1375 CD LYS A 86 3.039 -17.512 3.521 1.00 0.00 C ATOM 1376 CE LYS A 86 3.627 -17.476 4.933 1.00 0.00 C ATOM 1377 NZ LYS A 86 2.723 -18.205 5.867 1.00 0.00 N ATOM 0 H LYS A 86 1.587 -13.682 4.640 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.203 -15.156 2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.402 -16.021 5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.505 -17.104 4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.899 -16.204 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.887 -15.358 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.391 -18.381 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.838 -17.613 2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.617 -17.932 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.750 -16.444 5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.506 -17.599 6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.841 -18.451 5.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.191 -19.074 6.195 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.224 -13.921 5.511 1.00 0.00 N ATOM 1392 CA LYS A 87 -2.387 -13.834 6.439 1.00 0.00 C ATOM 1393 C LYS A 87 -3.440 -12.885 5.863 1.00 0.00 C ATOM 1394 O LYS A 87 -3.140 -11.782 5.450 1.00 0.00 O ATOM 1395 CB LYS A 87 -1.925 -13.314 7.799 1.00 0.00 C ATOM 1396 CG LYS A 87 -0.985 -14.336 8.440 1.00 0.00 C ATOM 1397 CD LYS A 87 -0.648 -13.889 9.861 1.00 0.00 C ATOM 1398 CE LYS A 87 0.381 -14.845 10.468 1.00 0.00 C ATOM 1399 NZ LYS A 87 1.755 -14.368 10.143 1.00 0.00 N ATOM 0 H LYS A 87 -0.589 -13.123 5.535 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.821 -14.827 6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.415 -12.358 7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.785 -13.139 8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.455 -15.319 8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.073 -14.429 7.850 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.253 -12.873 9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.550 -13.874 10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.250 -14.899 11.549 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.232 -15.852 10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.455 -15.018 10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.877 -14.338 9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.894 -13.415 10.536 1.00 0.00 H new ATOM 1413 N GLU A 88 -4.673 -13.312 5.829 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.751 -12.443 5.279 1.00 0.00 C ATOM 1415 C GLU A 88 -6.233 -11.450 6.342 1.00 0.00 C ATOM 1416 O GLU A 88 -6.426 -10.282 6.070 1.00 0.00 O ATOM 1417 CB GLU A 88 -6.926 -13.316 4.834 1.00 0.00 C ATOM 1418 CG GLU A 88 -7.982 -12.443 4.150 1.00 0.00 C ATOM 1419 CD GLU A 88 -9.200 -13.299 3.797 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -9.182 -14.478 4.109 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -10.131 -12.759 3.223 1.00 0.00 O ATOM 0 H GLU A 88 -4.980 -14.227 6.159 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.356 -11.886 4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.579 -14.089 4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.361 -13.824 5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.277 -11.626 4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.568 -11.991 3.249 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.448 -11.906 7.547 1.00 0.00 N ATOM 1429 CA LYS A 89 -6.940 -10.986 8.615 1.00 0.00 C ATOM 1430 C LYS A 89 -5.939 -9.850 8.840 1.00 0.00 C ATOM 1431 O LYS A 89 -6.307 -8.693 8.885 1.00 0.00 O ATOM 1432 CB LYS A 89 -7.117 -11.770 9.917 1.00 0.00 C ATOM 1433 CG LYS A 89 -8.213 -12.821 9.736 1.00 0.00 C ATOM 1434 CD LYS A 89 -8.475 -13.524 11.071 1.00 0.00 C ATOM 1435 CE LYS A 89 -9.483 -14.656 10.862 1.00 0.00 C ATOM 1436 NZ LYS A 89 -8.764 -15.960 10.816 1.00 0.00 N ATOM 0 H LYS A 89 -6.305 -12.873 7.838 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.894 -10.561 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.179 -12.251 10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.379 -11.092 10.729 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.127 -12.349 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.912 -13.549 8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.544 -13.922 11.474 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.859 -12.811 11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.214 -14.660 11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.034 -14.500 9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.449 -16.729 10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.083 -15.953 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.257 -16.109 11.712 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.682 -10.162 8.980 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.672 -9.092 9.199 1.00 0.00 C ATOM 1452 C ASP A 90 -3.623 -8.182 7.971 1.00 0.00 C ATOM 1453 O ASP A 90 -3.488 -6.980 8.079 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.300 -9.729 9.419 1.00 0.00 C ATOM 1455 CG ASP A 90 -2.303 -10.498 10.742 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -3.244 -10.333 11.499 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -1.360 -11.237 10.975 1.00 0.00 O ATOM 0 H ASP A 90 -4.311 -11.112 8.952 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.944 -8.504 10.075 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.063 -10.402 8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.528 -8.960 9.435 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.727 -8.753 6.804 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.681 -7.938 5.561 1.00 0.00 C ATOM 1464 C ARG A 91 -4.807 -6.899 5.572 1.00 0.00 C ATOM 1465 O ARG A 91 -4.615 -5.759 5.195 1.00 0.00 O ATOM 1466 CB ARG A 91 -3.858 -8.863 4.355 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.708 -8.063 3.064 1.00 0.00 C ATOM 1468 CD ARG A 91 -4.029 -8.963 1.870 1.00 0.00 C ATOM 1469 NE ARG A 91 -3.061 -10.096 1.828 1.00 0.00 N ATOM 1470 CZ ARG A 91 -3.383 -11.207 1.223 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -4.554 -11.326 0.656 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -2.536 -12.198 1.186 1.00 0.00 N ATOM 0 H ARG A 91 -3.843 -9.756 6.658 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.723 -7.422 5.501 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.118 -9.662 4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.839 -9.336 4.389 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.378 -7.203 3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.693 -7.675 2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.047 -9.343 1.951 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.975 -8.390 0.944 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.147 -10.003 2.272 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.216 -10.551 0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.806 -12.194 0.183 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.622 -12.105 1.630 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.787 -13.066 0.713 1.00 0.00 H new ATOM 1486 N ASN A 92 -5.984 -7.282 5.988 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.117 -6.319 6.009 1.00 0.00 C ATOM 1488 C ASN A 92 -6.807 -5.152 6.948 1.00 0.00 C ATOM 1489 O ASN A 92 -7.115 -4.013 6.657 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.377 -7.035 6.494 1.00 0.00 C ATOM 1491 CG ASN A 92 -8.799 -8.086 5.464 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -8.333 -8.075 4.342 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -9.669 -8.998 5.802 1.00 0.00 N ATOM 0 H ASN A 92 -6.208 -8.222 6.314 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.271 -5.931 5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.190 -7.510 7.457 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.181 -6.315 6.644 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.959 -9.703 5.124 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.059 -9.006 6.744 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.211 -5.420 8.078 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.901 -4.318 9.028 1.00 0.00 C ATOM 1502 C ASP A 93 -4.911 -3.341 8.391 1.00 0.00 C ATOM 1503 O ASP A 93 -5.027 -2.141 8.549 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.297 -4.906 10.303 1.00 0.00 C ATOM 1505 CG ASP A 93 -6.331 -5.797 10.995 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.497 -5.697 10.648 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.940 -6.565 11.858 1.00 0.00 O ATOM 0 H ASP A 93 -5.927 -6.351 8.382 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.819 -3.782 9.271 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.406 -5.485 10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.985 -4.105 10.973 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.936 -3.835 7.676 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.948 -2.916 7.043 1.00 0.00 C ATOM 1514 C LEU A 94 -3.672 -1.921 6.135 1.00 0.00 C ATOM 1515 O LEU A 94 -3.406 -0.735 6.162 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.949 -3.728 6.210 1.00 0.00 C ATOM 1517 CG LEU A 94 -0.928 -2.781 5.573 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.171 -2.033 6.669 1.00 0.00 C ATOM 1519 CD2 LEU A 94 0.064 -3.585 4.732 1.00 0.00 C ATOM 0 H LEU A 94 -3.782 -4.828 7.504 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.416 -2.373 7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.441 -4.457 6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.474 -4.288 5.436 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.449 -2.066 4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.555 -1.359 6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.875 -1.456 7.269 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.348 -2.749 7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.789 -2.909 4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.583 -4.302 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.473 -4.119 3.948 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.585 -2.389 5.331 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.322 -1.465 4.425 1.00 0.00 C ATOM 1533 C ILE A 95 -6.192 -0.520 5.252 1.00 0.00 C ATOM 1534 O ILE A 95 -6.261 0.666 4.996 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.208 -2.275 3.485 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.342 -3.248 2.682 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -6.934 -1.329 2.527 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.244 -4.161 1.849 1.00 0.00 C ATOM 0 H ILE A 95 -4.853 -3.371 5.262 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.607 -0.883 3.843 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.940 -2.835 4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.663 -2.696 2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.725 -3.843 3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.568 -1.908 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.550 -0.635 3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.202 -0.769 1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.629 -4.855 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.904 -4.722 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.842 -3.557 1.166 1.00 0.00 H new ATOM 1550 N THR A 96 -6.867 -1.042 6.240 1.00 0.00 N ATOM 1551 CA THR A 96 -7.743 -0.184 7.082 1.00 0.00 C ATOM 1552 C THR A 96 -6.908 0.900 7.767 1.00 0.00 C ATOM 1553 O THR A 96 -7.330 2.033 7.887 1.00 0.00 O ATOM 1554 CB THR A 96 -8.429 -1.050 8.142 1.00 0.00 C ATOM 1555 OG1 THR A 96 -9.045 -2.165 7.512 1.00 0.00 O ATOM 1556 CG2 THR A 96 -9.492 -0.223 8.866 1.00 0.00 C ATOM 0 H THR A 96 -6.848 -2.028 6.499 1.00 0.00 H new ATOM 0 HA THR A 96 -8.495 0.292 6.453 1.00 0.00 H new ATOM 0 HB THR A 96 -7.689 -1.400 8.862 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.510 -1.868 6.702 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.981 -0.839 9.621 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.021 0.634 9.347 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.233 0.126 8.147 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.731 0.568 8.225 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.890 1.592 8.908 1.00 0.00 C ATOM 1566 C TYR A 97 -4.641 2.770 7.963 1.00 0.00 C ATOM 1567 O TYR A 97 -4.836 3.914 8.323 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.554 0.967 9.316 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.736 1.981 10.078 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.986 2.206 11.437 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.723 2.695 9.426 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -2.225 3.145 12.144 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.962 3.636 10.132 1.00 0.00 C ATOM 1574 CZ TYR A 97 -1.214 3.860 11.491 1.00 0.00 C ATOM 1575 OH TYR A 97 -0.464 4.785 12.188 1.00 0.00 O ATOM 0 H TYR A 97 -5.318 -0.362 8.156 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.408 1.950 9.797 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.726 0.085 9.933 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.010 0.636 8.431 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.766 1.655 11.940 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.528 2.520 8.378 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -2.418 3.318 13.193 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -0.182 4.188 9.629 1.00 0.00 H new ATOM 0 HH TYR A 97 0.195 5.191 11.587 1.00 0.00 H new ATOM 1585 N LEU A 98 -4.229 2.506 6.752 1.00 0.00 N ATOM 1586 CA LEU A 98 -3.993 3.624 5.794 1.00 0.00 C ATOM 1587 C LEU A 98 -5.332 4.252 5.417 1.00 0.00 C ATOM 1588 O LEU A 98 -5.438 5.445 5.213 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.305 3.095 4.532 1.00 0.00 C ATOM 1590 CG LEU A 98 -1.900 2.594 4.874 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.233 2.050 3.610 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -1.068 3.757 5.422 1.00 0.00 C ATOM 0 H LEU A 98 -4.047 1.571 6.387 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.352 4.371 6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.893 2.286 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.246 3.884 3.782 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.966 1.804 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.232 1.693 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.826 1.227 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.165 2.842 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.066 3.404 5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.002 4.543 4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.543 4.153 6.320 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.356 3.452 5.314 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.690 3.993 4.941 1.00 0.00 C ATOM 1606 C LYS A 99 -8.109 5.065 5.953 1.00 0.00 C ATOM 1607 O LYS A 99 -8.612 6.111 5.589 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.713 2.851 4.953 1.00 0.00 C ATOM 1609 CG LYS A 99 -10.068 3.342 4.437 1.00 0.00 C ATOM 1610 CD LYS A 99 -10.085 3.308 2.905 1.00 0.00 C ATOM 1611 CE LYS A 99 -11.441 3.801 2.392 1.00 0.00 C ATOM 1612 NZ LYS A 99 -12.510 3.445 3.367 1.00 0.00 N ATOM 0 H LYS A 99 -6.325 2.445 5.473 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.643 4.436 3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.357 2.029 4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.822 2.462 5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.867 2.715 4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.255 4.356 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.286 3.935 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.899 2.294 2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.414 4.881 2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.657 3.354 1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.439 3.690 2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.476 2.424 3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.363 3.972 4.252 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.906 4.817 7.219 1.00 0.00 N ATOM 1627 CA LYS A 100 -8.292 5.826 8.247 1.00 0.00 C ATOM 1628 C LYS A 100 -7.511 7.119 8.018 1.00 0.00 C ATOM 1629 O LYS A 100 -8.054 8.204 8.054 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.958 5.285 9.635 1.00 0.00 C ATOM 1631 CG LYS A 100 -8.855 4.090 9.951 1.00 0.00 C ATOM 1632 CD LYS A 100 -8.539 3.590 11.359 1.00 0.00 C ATOM 1633 CE LYS A 100 -9.448 2.409 11.702 1.00 0.00 C ATOM 1634 NZ LYS A 100 -9.677 2.368 13.175 1.00 0.00 N ATOM 0 H LYS A 100 -7.490 3.961 7.585 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.361 6.026 8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.910 4.987 9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.098 6.065 10.383 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.904 4.377 9.880 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.693 3.295 9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.494 3.287 11.422 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.682 4.394 12.081 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.399 2.504 11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.992 1.477 11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.295 1.565 13.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.766 2.258 13.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.129 3.253 13.481 1.00 0.00 H new ATOM 1648 N ALA A 101 -6.236 7.003 7.786 1.00 0.00 N ATOM 1649 CA ALA A 101 -5.404 8.218 7.555 1.00 0.00 C ATOM 1650 C ALA A 101 -5.912 8.957 6.316 1.00 0.00 C ATOM 1651 O ALA A 101 -5.869 10.168 6.243 1.00 0.00 O ATOM 1652 CB ALA A 101 -3.947 7.805 7.343 1.00 0.00 C ATOM 0 H ALA A 101 -5.731 6.118 7.746 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.472 8.875 8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.338 8.693 7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.585 7.280 8.227 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.878 7.147 6.477 1.00 0.00 H new ATOM 1658 N THR A 102 -6.391 8.236 5.340 1.00 0.00 N ATOM 1659 CA THR A 102 -6.900 8.897 4.107 1.00 0.00 C ATOM 1660 C THR A 102 -8.203 9.635 4.423 1.00 0.00 C ATOM 1661 O THR A 102 -8.605 10.535 3.715 1.00 0.00 O ATOM 1662 CB THR A 102 -7.158 7.839 3.033 1.00 0.00 C ATOM 1663 OG1 THR A 102 -8.211 6.984 3.455 1.00 0.00 O ATOM 1664 CG2 THR A 102 -5.887 7.016 2.812 1.00 0.00 C ATOM 0 H THR A 102 -6.452 7.218 5.344 1.00 0.00 H new ATOM 0 HA THR A 102 -6.160 9.610 3.744 1.00 0.00 H new ATOM 0 HB THR A 102 -7.440 8.328 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.206 6.916 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.070 6.262 2.047 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.080 7.673 2.488 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.604 6.526 3.744 1.00 0.00 H new ATOM 1672 N GLU A 103 -8.865 9.258 5.483 1.00 0.00 N ATOM 1673 CA GLU A 103 -10.141 9.937 5.844 1.00 0.00 C ATOM 1674 C GLU A 103 -9.848 11.373 6.281 1.00 0.00 C ATOM 1675 O GLU A 103 -10.520 12.305 5.885 1.00 0.00 O ATOM 1676 CB GLU A 103 -10.814 9.181 6.992 1.00 0.00 C ATOM 1677 CG GLU A 103 -12.189 9.791 7.268 1.00 0.00 C ATOM 1678 CD GLU A 103 -12.819 9.103 8.480 1.00 0.00 C ATOM 1679 OE1 GLU A 103 -12.174 8.235 9.045 1.00 0.00 O ATOM 1680 OE2 GLU A 103 -13.937 9.453 8.821 1.00 0.00 O ATOM 0 H GLU A 103 -8.577 8.510 6.114 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.804 9.949 4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.917 8.126 6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.195 9.233 7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.093 10.861 7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.832 9.675 6.396 1.00 0.00 H new TER 1687 GLU A 103 HETATM 1688 FE HEC A 201 5.844 1.107 -1.836 1.00 0.00 FE HETATM 1689 CHA HEC A 201 5.419 2.614 -4.840 1.00 0.00 C HETATM 1690 CHB HEC A 201 2.507 0.587 -1.635 1.00 0.00 C HETATM 1691 CHC HEC A 201 6.252 -0.407 1.150 1.00 0.00 C HETATM 1692 CHD HEC A 201 9.178 1.637 -2.045 1.00 0.00 C HETATM 1693 NA HEC A 201 4.305 1.509 -2.983 1.00 0.00 N HETATM 1694 C1A HEC A 201 4.297 2.139 -4.209 1.00 0.00 C HETATM 1695 C2A HEC A 201 2.958 2.229 -4.749 1.00 0.00 C HETATM 1696 C3A HEC A 201 2.133 1.742 -3.795 1.00 0.00 C HETATM 1697 C4A HEC A 201 2.976 1.239 -2.743 1.00 0.00 C HETATM 1698 CMA HEC A 201 0.658 1.934 -3.723 1.00 0.00 C HETATM 1699 CAA HEC A 201 2.582 2.492 -6.169 1.00 0.00 C HETATM 1700 CBA HEC A 201 2.919 3.922 -6.605 1.00 0.00 C HETATM 1701 CGA HEC A 201 1.628 4.703 -6.867 1.00 0.00 C HETATM 1702 O1A HEC A 201 1.589 5.875 -6.524 1.00 0.00 O HETATM 1703 O2A HEC A 201 0.701 4.123 -7.409 1.00 0.00 O HETATM 1704 NB HEC A 201 4.646 0.257 -0.536 1.00 0.00 N HETATM 1705 C1B HEC A 201 3.279 0.121 -0.604 1.00 0.00 C HETATM 1706 C2B HEC A 201 2.750 -0.578 0.542 1.00 0.00 C HETATM 1707 C3B HEC A 201 3.804 -0.756 1.396 1.00 0.00 C HETATM 1708 C4B HEC A 201 4.973 -0.308 0.671 1.00 0.00 C HETATM 1709 CMB HEC A 201 1.445 -1.303 0.562 1.00 0.00 C HETATM 1710 CAB HEC A 201 3.755 -0.982 2.888 1.00 0.00 C HETATM 1711 CBB HEC A 201 2.462 -1.614 3.415 1.00 0.00 C HETATM 1712 NC HEC A 201 7.379 0.703 -0.695 1.00 0.00 N HETATM 1713 C1C HEC A 201 7.381 0.051 0.516 1.00 0.00 C HETATM 1714 C2C HEC A 201 8.716 -0.112 1.028 1.00 0.00 C HETATM 1715 C3C HEC A 201 9.537 0.547 0.182 1.00 0.00 C HETATM 1716 C4C HEC A 201 8.710 0.992 -0.921 1.00 0.00 C HETATM 1717 CMC HEC A 201 9.144 -1.108 2.049 1.00 0.00 C HETATM 1718 CAC HEC A 201 10.943 0.956 0.480 1.00 0.00 C HETATM 1719 CBC HEC A 201 11.940 -0.198 0.369 1.00 0.00 C HETATM 1720 ND HEC A 201 7.030 1.955 -3.139 1.00 0.00 N HETATM 1721 C1D HEC A 201 8.398 2.086 -3.081 1.00 0.00 C HETATM 1722 C2D HEC A 201 8.918 2.720 -4.265 1.00 0.00 C HETATM 1723 C3D HEC A 201 7.852 3.072 -5.010 1.00 0.00 C HETATM 1724 C4D HEC A 201 6.693 2.537 -4.342 1.00 0.00 C HETATM 1725 CMD HEC A 201 10.328 2.682 -4.734 1.00 0.00 C HETATM 1726 CAD HEC A 201 7.851 4.038 -6.142 1.00 0.00 C HETATM 1727 CBD HEC A 201 7.822 3.340 -7.503 1.00 0.00 C HETATM 1728 CGD HEC A 201 6.466 3.580 -8.170 1.00 0.00 C HETATM 1729 O1D HEC A 201 6.288 4.647 -8.734 1.00 0.00 O HETATM 1730 O2D HEC A 201 5.629 2.696 -8.103 1.00 0.00 O HETATM 0 HMD3 HEC A 201 10.976 3.117 -3.973 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 10.624 1.649 -4.915 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 10.419 3.252 -5.658 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 8.591 -0.942 2.974 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 8.943 -2.115 1.682 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.211 -0.998 2.240 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 0.638 -0.605 0.341 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 1.456 -2.093 -0.188 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 1.287 -1.741 1.548 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 0.432 2.998 -3.656 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 0.193 1.520 -4.618 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 0.267 1.424 -2.842 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 8.623 3.721 -8.136 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.994 2.271 -7.379 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 11.668 -0.983 1.075 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 11.921 -0.599 -0.644 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 12.942 0.164 0.597 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 1.617 -0.969 3.173 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 2.318 -2.590 2.951 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 2.530 -1.733 4.496 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.505 4.419 -5.832 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 3.532 3.902 -7.506 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 6.986 4.695 -6.055 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.738 4.669 -6.079 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 3.101 1.785 -6.817 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 1.514 2.317 -6.298 1.00 0.00 H new HETATM 0 HHD HEC A 201 10.253 1.804 -2.117 1.00 0.00 H new HETATM 0 HHC HEC A 201 6.386 -0.891 2.118 1.00 0.00 H new HETATM 0 HHB HEC A 201 1.431 0.425 -1.567 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.287 3.089 -5.812 1.00 0.00 H new