USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 ASN :FLIP amide:sc= -4.56! C(o=-6.3!,f=-4.9!) USER MOD Set 1.2: A 98 HIS :FLIP no HD1:sc= -0.375 F(o=-9.6!,f=-4.9) USER MOD Set 2.1: A 52 TYR OH : rot -130:sc= -1.58 USER MOD Set 2.2: A 75 MET CE :methyl 171:sc= -3.63! (180deg=-3.73!) USER MOD Set 3.1: A 53 SER OG : rot -63:sc= 0.0858 USER MOD Set 3.2: A 68 ASN :FLIP amide:sc= -0.19 F(o=-12,f=-11) USER MOD Set 3.3: A 93 MET CE :methyl 139:sc= -5.58! (180deg=-7.1!) USER MOD Set 3.4: A 95 GLN :FLIP amide:sc= -5.04! C(o=-15!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 151:sc= 0.00213 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 157:sc= -0.0537 USER MOD Single : A 9 HIS : no HD1:sc= -0.795 X(o=-0.79,f=-0.8) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.000184 USER MOD Single : A 14 THR OG1 : rot 35:sc= 0.533 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -166:sc= 0.449 USER MOD Single : A 31 THR OG1 : rot -170:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0512 USER MOD Single : A 40 THR OG1 : rot 178:sc= 0.295 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.224 F(o=-1,f=-0.22) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -121:sc= -0.0215 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 91:sc= 1.19 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.021) USER MOD Single : A 76 GLN : amide:sc= -3.15 K(o=-3.2,f=-6.3!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.994 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.282 F(o=-0.81,f=-0.28) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 64:sc= 0.79 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.0703 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 34:sc= 0.287 USER MOD Single : A 103 SER OG : rot 33:sc= 0.673 USER MOD Single : A 104 SER OG : rot 120:sc= 0.367 USER MOD Single : A 111 THR OG1 : rot -159:sc= 2.16 USER MOD Single : A 112 GLN : amide:sc=-0.00594 K(o=-0.0059,f=-1.6) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.367 -5.481 -30.595 1.00 0.00 N ATOM 2 CA GLY A 1 3.309 -4.812 -29.717 1.00 0.00 C ATOM 3 C GLY A 1 4.707 -4.757 -30.301 1.00 0.00 C ATOM 4 O GLY A 1 5.174 -5.724 -30.903 1.00 0.00 O ATOM 0 H1 GLY A 1 1.619 -5.927 -30.026 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.943 -4.787 -31.242 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.864 -6.210 -31.146 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.961 -3.798 -29.520 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.339 -5.330 -28.759 1.00 0.00 H new ATOM 8 N SER A 2 5.376 -3.622 -30.124 1.00 0.00 N ATOM 9 CA SER A 2 6.727 -3.443 -30.643 1.00 0.00 C ATOM 10 C SER A 2 7.423 -2.273 -29.953 1.00 0.00 C ATOM 11 O SER A 2 6.772 -1.343 -29.477 1.00 0.00 O ATOM 12 CB SER A 2 6.689 -3.209 -32.154 1.00 0.00 C ATOM 13 OG SER A 2 5.947 -2.044 -32.471 1.00 0.00 O ATOM 0 H SER A 2 5.005 -2.813 -29.626 1.00 0.00 H new ATOM 0 HA SER A 2 7.292 -4.352 -30.438 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.705 -3.112 -32.536 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.244 -4.073 -32.648 1.00 0.00 H new ATOM 0 HG SER A 2 5.939 -1.915 -33.443 1.00 0.00 H new ATOM 19 N SER A 3 8.750 -2.328 -29.905 1.00 0.00 N ATOM 20 CA SER A 3 9.535 -1.276 -29.270 1.00 0.00 C ATOM 21 C SER A 3 10.985 -1.320 -29.743 1.00 0.00 C ATOM 22 O SER A 3 11.450 -2.334 -30.262 1.00 0.00 O ATOM 23 CB SER A 3 9.479 -1.416 -27.748 1.00 0.00 C ATOM 24 OG SER A 3 9.924 -0.231 -27.110 1.00 0.00 O ATOM 0 H SER A 3 9.304 -3.089 -30.298 1.00 0.00 H new ATOM 0 HA SER A 3 9.107 -0.315 -29.555 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.458 -1.639 -27.437 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.098 -2.256 -27.434 1.00 0.00 H new ATOM 0 HG SER A 3 9.877 -0.345 -26.138 1.00 0.00 H new ATOM 30 N GLY A 4 11.696 -0.211 -29.559 1.00 0.00 N ATOM 31 CA GLY A 4 13.085 -0.143 -29.972 1.00 0.00 C ATOM 32 C GLY A 4 13.987 0.407 -28.885 1.00 0.00 C ATOM 33 O GLY A 4 13.512 0.833 -27.833 1.00 0.00 O ATOM 0 H GLY A 4 11.334 0.641 -29.131 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.426 -1.139 -30.253 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.167 0.484 -30.860 1.00 0.00 H new ATOM 37 N SER A 5 15.292 0.395 -29.139 1.00 0.00 N ATOM 38 CA SER A 5 16.263 0.892 -28.171 1.00 0.00 C ATOM 39 C SER A 5 16.860 2.217 -28.632 1.00 0.00 C ATOM 40 O SER A 5 16.620 2.662 -29.754 1.00 0.00 O ATOM 41 CB SER A 5 17.376 -0.137 -27.960 1.00 0.00 C ATOM 42 OG SER A 5 17.981 0.021 -26.688 1.00 0.00 O ATOM 0 H SER A 5 15.701 0.047 -30.006 1.00 0.00 H new ATOM 0 HA SER A 5 15.746 1.056 -27.226 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.967 -1.143 -28.049 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.129 -0.028 -28.741 1.00 0.00 H new ATOM 0 HG SER A 5 18.688 -0.649 -26.576 1.00 0.00 H new ATOM 48 N SER A 6 17.641 2.844 -27.758 1.00 0.00 N ATOM 49 CA SER A 6 18.271 4.120 -28.072 1.00 0.00 C ATOM 50 C SER A 6 19.792 4.002 -28.025 1.00 0.00 C ATOM 51 O SER A 6 20.493 4.523 -28.891 1.00 0.00 O ATOM 52 CB SER A 6 17.802 5.200 -27.095 1.00 0.00 C ATOM 53 OG SER A 6 18.183 4.886 -25.767 1.00 0.00 O ATOM 0 H SER A 6 17.852 2.488 -26.826 1.00 0.00 H new ATOM 0 HA SER A 6 17.977 4.402 -29.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.227 6.162 -27.381 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.718 5.300 -27.152 1.00 0.00 H new ATOM 0 HG SER A 6 18.218 5.707 -25.234 1.00 0.00 H new ATOM 59 N GLY A 7 20.294 3.313 -27.005 1.00 0.00 N ATOM 60 CA GLY A 7 21.728 3.138 -26.863 1.00 0.00 C ATOM 61 C GLY A 7 22.368 4.243 -26.046 1.00 0.00 C ATOM 62 O GLY A 7 22.700 5.302 -26.578 1.00 0.00 O ATOM 0 H GLY A 7 19.734 2.873 -26.275 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.929 2.177 -26.389 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.187 3.108 -27.851 1.00 0.00 H new ATOM 66 N GLU A 8 22.540 3.997 -24.751 1.00 0.00 N ATOM 67 CA GLU A 8 23.143 4.982 -23.861 1.00 0.00 C ATOM 68 C GLU A 8 23.599 4.330 -22.558 1.00 0.00 C ATOM 69 O GLU A 8 22.952 3.414 -22.049 1.00 0.00 O ATOM 70 CB GLU A 8 22.149 6.106 -23.561 1.00 0.00 C ATOM 71 CG GLU A 8 20.995 5.677 -22.672 1.00 0.00 C ATOM 72 CD GLU A 8 19.878 5.006 -23.448 1.00 0.00 C ATOM 73 OE1 GLU A 8 20.139 3.958 -24.075 1.00 0.00 O ATOM 74 OE2 GLU A 8 18.744 5.529 -23.430 1.00 0.00 O ATOM 0 H GLU A 8 22.271 3.125 -24.295 1.00 0.00 H new ATOM 0 HA GLU A 8 24.015 5.402 -24.362 1.00 0.00 H new ATOM 0 HB2 GLU A 8 22.679 6.930 -23.082 1.00 0.00 H new ATOM 0 HB3 GLU A 8 21.750 6.487 -24.501 1.00 0.00 H new ATOM 0 HG2 GLU A 8 21.364 4.992 -21.909 1.00 0.00 H new ATOM 0 HG3 GLU A 8 20.598 6.549 -22.152 1.00 0.00 H new ATOM 81 N HIS A 9 24.718 4.809 -22.024 1.00 0.00 N ATOM 82 CA HIS A 9 25.262 4.274 -20.781 1.00 0.00 C ATOM 83 C HIS A 9 24.457 4.764 -19.581 1.00 0.00 C ATOM 84 O HIS A 9 24.170 4.000 -18.660 1.00 0.00 O ATOM 85 CB HIS A 9 26.728 4.677 -20.626 1.00 0.00 C ATOM 86 CG HIS A 9 26.916 6.097 -20.186 1.00 0.00 C ATOM 87 ND1 HIS A 9 26.987 7.155 -21.068 1.00 0.00 N ATOM 88 CD2 HIS A 9 27.046 6.631 -18.949 1.00 0.00 C ATOM 89 CE1 HIS A 9 27.154 8.278 -20.392 1.00 0.00 C ATOM 90 NE2 HIS A 9 27.193 7.987 -19.105 1.00 0.00 N ATOM 0 H HIS A 9 25.266 5.566 -22.433 1.00 0.00 H new ATOM 0 HA HIS A 9 25.195 3.187 -20.822 1.00 0.00 H new ATOM 0 HB2 HIS A 9 27.204 4.015 -19.902 1.00 0.00 H new ATOM 0 HB3 HIS A 9 27.239 4.529 -21.577 1.00 0.00 H new ATOM 0 HD2 HIS A 9 27.036 6.091 -18.014 1.00 0.00 H new ATOM 0 HE1 HIS A 9 27.243 9.266 -20.820 1.00 0.00 H new ATOM 0 HE2 HIS A 9 27.313 8.661 -18.349 1.00 0.00 H new ATOM 99 N ALA A 10 24.098 6.044 -19.598 1.00 0.00 N ATOM 100 CA ALA A 10 23.326 6.635 -18.512 1.00 0.00 C ATOM 101 C ALA A 10 21.839 6.336 -18.670 1.00 0.00 C ATOM 102 O ALA A 10 21.274 6.432 -19.759 1.00 0.00 O ATOM 103 CB ALA A 10 23.561 8.137 -18.455 1.00 0.00 C ATOM 0 H ALA A 10 24.330 6.691 -20.352 1.00 0.00 H new ATOM 0 HA ALA A 10 23.662 6.190 -17.576 1.00 0.00 H new ATOM 0 HB1 ALA A 10 22.978 8.566 -17.640 1.00 0.00 H new ATOM 0 HB2 ALA A 10 24.620 8.333 -18.287 1.00 0.00 H new ATOM 0 HB3 ALA A 10 23.253 8.589 -19.398 1.00 0.00 H new ATOM 109 N PRO A 11 21.189 5.964 -17.557 1.00 0.00 N ATOM 110 CA PRO A 11 19.758 5.643 -17.547 1.00 0.00 C ATOM 111 C PRO A 11 18.886 6.876 -17.762 1.00 0.00 C ATOM 112 O PRO A 11 17.660 6.780 -17.803 1.00 0.00 O ATOM 113 CB PRO A 11 19.534 5.068 -16.146 1.00 0.00 C ATOM 114 CG PRO A 11 20.614 5.668 -15.313 1.00 0.00 C ATOM 115 CD PRO A 11 21.799 5.828 -16.224 1.00 0.00 C ATOM 0 HA PRO A 11 19.488 4.960 -18.352 1.00 0.00 H new ATOM 0 HB2 PRO A 11 18.547 5.330 -15.764 1.00 0.00 H new ATOM 0 HB3 PRO A 11 19.596 3.980 -16.150 1.00 0.00 H new ATOM 0 HG2 PRO A 11 20.303 6.630 -14.905 1.00 0.00 H new ATOM 0 HG3 PRO A 11 20.856 5.026 -14.467 1.00 0.00 H new ATOM 0 HD2 PRO A 11 22.392 6.704 -15.962 1.00 0.00 H new ATOM 0 HD3 PRO A 11 22.464 4.966 -16.173 1.00 0.00 H new ATOM 123 N ALA A 12 19.527 8.031 -17.900 1.00 0.00 N ATOM 124 CA ALA A 12 18.809 9.282 -18.114 1.00 0.00 C ATOM 125 C ALA A 12 18.113 9.740 -16.838 1.00 0.00 C ATOM 126 O ALA A 12 16.992 10.251 -16.878 1.00 0.00 O ATOM 127 CB ALA A 12 17.800 9.125 -19.242 1.00 0.00 C ATOM 0 H ALA A 12 20.542 8.127 -17.868 1.00 0.00 H new ATOM 0 HA ALA A 12 19.534 10.046 -18.395 1.00 0.00 H new ATOM 0 HB1 ALA A 12 17.271 10.066 -19.391 1.00 0.00 H new ATOM 0 HB2 ALA A 12 18.320 8.852 -20.160 1.00 0.00 H new ATOM 0 HB3 ALA A 12 17.085 8.344 -18.984 1.00 0.00 H new ATOM 133 N THR A 13 18.782 9.555 -15.704 1.00 0.00 N ATOM 134 CA THR A 13 18.226 9.947 -14.415 1.00 0.00 C ATOM 135 C THR A 13 18.581 11.392 -14.081 1.00 0.00 C ATOM 136 O THR A 13 19.630 11.894 -14.484 1.00 0.00 O ATOM 137 CB THR A 13 18.730 9.032 -13.284 1.00 0.00 C ATOM 138 OG1 THR A 13 18.200 9.469 -12.027 1.00 0.00 O ATOM 139 CG2 THR A 13 20.250 9.029 -13.226 1.00 0.00 C ATOM 0 H THR A 13 19.710 9.136 -15.652 1.00 0.00 H new ATOM 0 HA THR A 13 17.143 9.850 -14.495 1.00 0.00 H new ATOM 0 HB THR A 13 18.389 8.017 -13.489 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.524 8.881 -11.313 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.582 8.376 -12.419 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.650 8.668 -14.174 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.609 10.042 -13.044 1.00 0.00 H new ATOM 147 N THR A 14 17.700 12.056 -13.339 1.00 0.00 N ATOM 148 CA THR A 14 17.920 13.443 -12.951 1.00 0.00 C ATOM 149 C THR A 14 17.486 13.686 -11.510 1.00 0.00 C ATOM 150 O THR A 14 16.327 13.473 -11.156 1.00 0.00 O ATOM 151 CB THR A 14 17.158 14.413 -13.874 1.00 0.00 C ATOM 152 OG1 THR A 14 15.752 14.153 -13.805 1.00 0.00 O ATOM 153 CG2 THR A 14 17.634 14.276 -15.313 1.00 0.00 C ATOM 0 H THR A 14 16.827 11.655 -12.995 1.00 0.00 H new ATOM 0 HA THR A 14 18.990 13.630 -13.043 1.00 0.00 H new ATOM 0 HB THR A 14 17.355 15.431 -13.537 1.00 0.00 H new ATOM 0 HG1 THR A 14 15.515 13.877 -12.895 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.082 14.970 -15.946 1.00 0.00 H new ATOM 0 HG22 THR A 14 18.699 14.503 -15.367 1.00 0.00 H new ATOM 0 HG23 THR A 14 17.463 13.256 -15.657 1.00 0.00 H new ATOM 161 N GLY A 15 18.424 14.134 -10.681 1.00 0.00 N ATOM 162 CA GLY A 15 18.118 14.399 -9.287 1.00 0.00 C ATOM 163 C GLY A 15 17.690 13.152 -8.541 1.00 0.00 C ATOM 164 O GLY A 15 17.253 12.166 -9.135 1.00 0.00 O ATOM 0 H GLY A 15 19.391 14.318 -10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 15 18.995 14.827 -8.801 1.00 0.00 H new ATOM 0 HA3 GLY A 15 17.325 15.144 -9.228 1.00 0.00 H new ATOM 168 N PRO A 16 17.817 13.184 -7.206 1.00 0.00 N ATOM 169 CA PRO A 16 17.446 12.054 -6.348 1.00 0.00 C ATOM 170 C PRO A 16 15.938 11.835 -6.298 1.00 0.00 C ATOM 171 O PRO A 16 15.164 12.663 -6.780 1.00 0.00 O ATOM 172 CB PRO A 16 17.973 12.466 -4.971 1.00 0.00 C ATOM 173 CG PRO A 16 18.008 13.955 -5.009 1.00 0.00 C ATOM 174 CD PRO A 16 18.331 14.325 -6.431 1.00 0.00 C ATOM 0 HA PRO A 16 17.858 11.113 -6.713 1.00 0.00 H new ATOM 0 HB2 PRO A 16 17.323 12.105 -4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 16 18.964 12.051 -4.786 1.00 0.00 H new ATOM 0 HG2 PRO A 16 17.050 14.376 -4.704 1.00 0.00 H new ATOM 0 HG3 PRO A 16 18.760 14.345 -4.324 1.00 0.00 H new ATOM 0 HD2 PRO A 16 17.849 15.258 -6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 16 19.403 14.460 -6.577 1.00 0.00 H new ATOM 182 N LEU A 17 15.527 10.716 -5.711 1.00 0.00 N ATOM 183 CA LEU A 17 14.110 10.388 -5.597 1.00 0.00 C ATOM 184 C LEU A 17 13.712 10.191 -4.138 1.00 0.00 C ATOM 185 O LEU A 17 14.532 9.848 -3.286 1.00 0.00 O ATOM 186 CB LEU A 17 13.792 9.125 -6.399 1.00 0.00 C ATOM 187 CG LEU A 17 13.762 9.285 -7.920 1.00 0.00 C ATOM 188 CD1 LEU A 17 13.896 7.932 -8.602 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.482 9.981 -8.358 1.00 0.00 C ATOM 0 H LEU A 17 16.155 10.021 -5.307 1.00 0.00 H new ATOM 0 HA LEU A 17 13.536 11.222 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.531 8.364 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.823 8.747 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 17 14.608 9.904 -8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.873 8.066 -9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.841 7.471 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.071 7.288 -8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.478 10.086 -9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.621 9.389 -8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.428 10.968 -7.898 1.00 0.00 H new ATOM 201 N PRO A 18 12.423 10.411 -3.841 1.00 0.00 N ATOM 202 CA PRO A 18 11.886 10.261 -2.485 1.00 0.00 C ATOM 203 C PRO A 18 11.842 8.805 -2.037 1.00 0.00 C ATOM 204 O PRO A 18 12.014 7.892 -2.844 1.00 0.00 O ATOM 205 CB PRO A 18 10.469 10.829 -2.600 1.00 0.00 C ATOM 206 CG PRO A 18 10.109 10.660 -4.035 1.00 0.00 C ATOM 207 CD PRO A 18 11.389 10.823 -4.806 1.00 0.00 C ATOM 0 HA PRO A 18 12.504 10.767 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.774 10.295 -1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.438 11.878 -2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.668 9.679 -4.214 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.372 11.402 -4.342 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.402 10.199 -5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.532 11.853 -5.134 1.00 0.00 H new ATOM 215 N SER A 19 11.610 8.594 -0.745 1.00 0.00 N ATOM 216 CA SER A 19 11.546 7.248 -0.189 1.00 0.00 C ATOM 217 C SER A 19 10.111 6.875 0.169 1.00 0.00 C ATOM 218 O SER A 19 9.414 7.627 0.850 1.00 0.00 O ATOM 219 CB SER A 19 12.437 7.143 1.050 1.00 0.00 C ATOM 220 OG SER A 19 12.801 5.797 1.304 1.00 0.00 O ATOM 0 H SER A 19 11.463 9.339 -0.064 1.00 0.00 H new ATOM 0 HA SER A 19 11.905 6.551 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.334 7.745 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.913 7.551 1.914 1.00 0.00 H new ATOM 0 HG SER A 19 13.372 5.757 2.100 1.00 0.00 H new ATOM 226 N ALA A 20 9.676 5.708 -0.296 1.00 0.00 N ATOM 227 CA ALA A 20 8.325 5.234 -0.024 1.00 0.00 C ATOM 228 C ALA A 20 7.857 5.672 1.360 1.00 0.00 C ATOM 229 O ALA A 20 8.652 5.845 2.284 1.00 0.00 O ATOM 230 CB ALA A 20 8.263 3.718 -0.149 1.00 0.00 C ATOM 0 H ALA A 20 10.240 5.074 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 20 7.656 5.677 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.248 3.377 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.547 3.424 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.950 3.266 0.566 1.00 0.00 H new ATOM 236 N PRO A 21 6.537 5.856 1.508 1.00 0.00 N ATOM 237 CA PRO A 21 5.934 6.276 2.776 1.00 0.00 C ATOM 238 C PRO A 21 6.000 5.185 3.840 1.00 0.00 C ATOM 239 O PRO A 21 6.340 4.039 3.546 1.00 0.00 O ATOM 240 CB PRO A 21 4.479 6.567 2.399 1.00 0.00 C ATOM 241 CG PRO A 21 4.226 5.727 1.194 1.00 0.00 C ATOM 242 CD PRO A 21 5.531 5.667 0.449 1.00 0.00 C ATOM 0 HA PRO A 21 6.455 7.129 3.211 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.800 6.309 3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.330 7.625 2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.892 4.729 1.477 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.442 6.161 0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.659 4.712 -0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.596 6.446 -0.311 1.00 0.00 H new ATOM 250 N ARG A 22 5.674 5.550 5.076 1.00 0.00 N ATOM 251 CA ARG A 22 5.698 4.601 6.183 1.00 0.00 C ATOM 252 C ARG A 22 4.296 4.389 6.747 1.00 0.00 C ATOM 253 O ARG A 22 3.313 4.888 6.199 1.00 0.00 O ATOM 254 CB ARG A 22 6.633 5.097 7.287 1.00 0.00 C ATOM 255 CG ARG A 22 8.044 5.393 6.803 1.00 0.00 C ATOM 256 CD ARG A 22 8.156 6.801 6.240 1.00 0.00 C ATOM 257 NE ARG A 22 8.184 7.811 7.295 1.00 0.00 N ATOM 258 CZ ARG A 22 9.286 8.159 7.950 1.00 0.00 C ATOM 259 NH1 ARG A 22 10.444 7.581 7.660 1.00 0.00 N ATOM 260 NH2 ARG A 22 9.232 9.087 8.897 1.00 0.00 N ATOM 0 H ARG A 22 5.391 6.495 5.336 1.00 0.00 H new ATOM 0 HA ARG A 22 6.067 3.648 5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.213 6.000 7.729 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.679 4.347 8.077 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.746 5.273 7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.326 4.670 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.061 6.880 5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.314 6.994 5.576 1.00 0.00 H new ATOM 0 HE ARG A 22 7.310 8.274 7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.490 6.867 6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.289 7.850 8.164 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.343 9.534 9.123 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.079 9.353 9.399 1.00 0.00 H new ATOM 274 N ASP A 23 4.212 3.644 7.844 1.00 0.00 N ATOM 275 CA ASP A 23 2.931 3.366 8.483 1.00 0.00 C ATOM 276 C ASP A 23 1.905 2.889 7.459 1.00 0.00 C ATOM 277 O ASP A 23 0.711 3.156 7.590 1.00 0.00 O ATOM 278 CB ASP A 23 2.412 4.614 9.199 1.00 0.00 C ATOM 279 CG ASP A 23 1.038 4.405 9.804 1.00 0.00 C ATOM 280 OD1 ASP A 23 0.654 3.235 10.015 1.00 0.00 O ATOM 281 OD2 ASP A 23 0.346 5.411 10.067 1.00 0.00 O ATOM 0 H ASP A 23 5.016 3.222 8.309 1.00 0.00 H new ATOM 0 HA ASP A 23 3.083 2.573 9.215 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.113 4.896 9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.373 5.444 8.494 1.00 0.00 H new ATOM 286 N VAL A 24 2.380 2.183 6.438 1.00 0.00 N ATOM 287 CA VAL A 24 1.505 1.669 5.391 1.00 0.00 C ATOM 288 C VAL A 24 0.578 0.587 5.932 1.00 0.00 C ATOM 289 O VAL A 24 0.997 -0.549 6.158 1.00 0.00 O ATOM 290 CB VAL A 24 2.315 1.094 4.214 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.385 0.547 3.142 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.242 2.154 3.638 1.00 0.00 C ATOM 0 H VAL A 24 3.366 1.954 6.314 1.00 0.00 H new ATOM 0 HA VAL A 24 0.909 2.510 5.036 1.00 0.00 H new ATOM 0 HB VAL A 24 2.927 0.271 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.975 0.145 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.767 -0.245 3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.745 1.348 2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.807 1.731 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.652 2.999 3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.932 2.493 4.411 1.00 0.00 H new ATOM 302 N VAL A 25 -0.685 0.946 6.138 1.00 0.00 N ATOM 303 CA VAL A 25 -1.674 0.005 6.651 1.00 0.00 C ATOM 304 C VAL A 25 -3.026 0.206 5.977 1.00 0.00 C ATOM 305 O VAL A 25 -3.242 1.196 5.279 1.00 0.00 O ATOM 306 CB VAL A 25 -1.846 0.147 8.175 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.502 0.033 8.878 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.522 1.467 8.513 1.00 0.00 C ATOM 0 H VAL A 25 -1.048 1.882 5.957 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.305 -0.996 6.426 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.483 -0.664 8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.644 0.136 9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.060 -0.939 8.662 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.162 0.821 8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.636 1.551 9.594 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.912 2.293 8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.504 1.504 8.041 1.00 0.00 H new ATOM 318 N ALA A 26 -3.935 -0.740 6.192 1.00 0.00 N ATOM 319 CA ALA A 26 -5.268 -0.666 5.607 1.00 0.00 C ATOM 320 C ALA A 26 -6.300 -0.238 6.645 1.00 0.00 C ATOM 321 O ALA A 26 -6.693 -1.026 7.505 1.00 0.00 O ATOM 322 CB ALA A 26 -5.653 -2.006 4.999 1.00 0.00 C ATOM 0 H ALA A 26 -3.772 -1.567 6.767 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.250 0.086 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.651 -1.936 4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.937 -2.271 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.647 -2.772 5.774 1.00 0.00 H new ATOM 328 N SER A 27 -6.734 1.016 6.560 1.00 0.00 N ATOM 329 CA SER A 27 -7.717 1.550 7.495 1.00 0.00 C ATOM 330 C SER A 27 -8.996 0.720 7.471 1.00 0.00 C ATOM 331 O SER A 27 -9.678 0.578 8.487 1.00 0.00 O ATOM 332 CB SER A 27 -8.035 3.008 7.156 1.00 0.00 C ATOM 333 OG SER A 27 -9.177 3.458 7.863 1.00 0.00 O ATOM 0 H SER A 27 -6.420 1.681 5.853 1.00 0.00 H new ATOM 0 HA SER A 27 -7.292 1.502 8.498 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.180 3.637 7.403 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.205 3.107 6.084 1.00 0.00 H new ATOM 0 HG SER A 27 -9.358 4.393 7.630 1.00 0.00 H new ATOM 339 N LEU A 28 -9.317 0.172 6.304 1.00 0.00 N ATOM 340 CA LEU A 28 -10.515 -0.645 6.145 1.00 0.00 C ATOM 341 C LEU A 28 -10.377 -1.588 4.955 1.00 0.00 C ATOM 342 O LEU A 28 -9.674 -1.289 3.990 1.00 0.00 O ATOM 343 CB LEU A 28 -11.744 0.247 5.963 1.00 0.00 C ATOM 344 CG LEU A 28 -12.952 -0.404 5.289 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.217 0.391 5.576 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.725 -0.524 3.789 1.00 0.00 C ATOM 0 H LEU A 28 -8.764 0.279 5.454 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.639 -1.244 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.052 0.611 6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.452 1.118 5.377 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.076 -1.406 5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.066 -0.088 5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.389 0.426 6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.104 1.406 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.595 -0.990 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.574 0.468 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.843 -1.137 3.602 1.00 0.00 H new ATOM 358 N VAL A 29 -11.054 -2.730 5.030 1.00 0.00 N ATOM 359 CA VAL A 29 -11.010 -3.717 3.957 1.00 0.00 C ATOM 360 C VAL A 29 -12.414 -4.088 3.494 1.00 0.00 C ATOM 361 O VAL A 29 -13.109 -4.865 4.149 1.00 0.00 O ATOM 362 CB VAL A 29 -10.272 -4.994 4.400 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.447 -6.097 3.367 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.798 -4.702 4.636 1.00 0.00 C ATOM 0 H VAL A 29 -11.639 -2.994 5.822 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.467 -3.261 3.129 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.706 -5.337 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.919 -6.992 3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.507 -6.323 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.041 -5.768 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.292 -5.615 4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.348 -4.335 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.697 -3.946 5.415 1.00 0.00 H new ATOM 374 N SER A 30 -12.825 -3.529 2.361 1.00 0.00 N ATOM 375 CA SER A 30 -14.149 -3.799 1.811 1.00 0.00 C ATOM 376 C SER A 30 -14.118 -5.019 0.895 1.00 0.00 C ATOM 377 O SER A 30 -13.050 -5.479 0.489 1.00 0.00 O ATOM 378 CB SER A 30 -14.663 -2.581 1.041 1.00 0.00 C ATOM 379 OG SER A 30 -15.813 -2.907 0.280 1.00 0.00 O ATOM 0 H SER A 30 -12.261 -2.886 1.805 1.00 0.00 H new ATOM 0 HA SER A 30 -14.825 -4.006 2.641 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.901 -1.779 1.740 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.880 -2.207 0.381 1.00 0.00 H new ATOM 0 HG SER A 30 -15.989 -2.194 -0.369 1.00 0.00 H new ATOM 385 N THR A 31 -15.298 -5.538 0.571 1.00 0.00 N ATOM 386 CA THR A 31 -15.408 -6.705 -0.296 1.00 0.00 C ATOM 387 C THR A 31 -15.205 -6.324 -1.758 1.00 0.00 C ATOM 388 O THR A 31 -14.897 -7.173 -2.594 1.00 0.00 O ATOM 389 CB THR A 31 -16.777 -7.392 -0.142 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.829 -6.445 -0.359 1.00 0.00 O ATOM 391 CG2 THR A 31 -16.921 -8.009 1.242 1.00 0.00 C ATOM 0 H THR A 31 -16.191 -5.169 0.896 1.00 0.00 H new ATOM 0 HA THR A 31 -14.625 -7.400 0.008 1.00 0.00 H new ATOM 0 HB THR A 31 -16.845 -8.186 -0.886 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.687 -6.846 -0.107 1.00 0.00 H new ATOM 0 HG21 THR A 31 -17.896 -8.488 1.327 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.137 -8.751 1.393 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.833 -7.230 1.999 1.00 0.00 H new ATOM 399 N ARG A 32 -15.379 -5.041 -2.060 1.00 0.00 N ATOM 400 CA ARG A 32 -15.215 -4.548 -3.422 1.00 0.00 C ATOM 401 C ARG A 32 -14.066 -3.547 -3.504 1.00 0.00 C ATOM 402 O ARG A 32 -13.703 -3.091 -4.588 1.00 0.00 O ATOM 403 CB ARG A 32 -16.510 -3.895 -3.910 1.00 0.00 C ATOM 404 CG ARG A 32 -17.704 -4.835 -3.908 1.00 0.00 C ATOM 405 CD ARG A 32 -18.951 -4.153 -4.450 1.00 0.00 C ATOM 406 NE ARG A 32 -19.436 -3.108 -3.553 1.00 0.00 N ATOM 407 CZ ARG A 32 -20.237 -2.121 -3.940 1.00 0.00 C ATOM 408 NH1 ARG A 32 -20.640 -2.045 -5.201 1.00 0.00 N ATOM 409 NH2 ARG A 32 -20.636 -1.207 -3.065 1.00 0.00 N ATOM 0 H ARG A 32 -15.633 -4.325 -1.380 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.980 -5.398 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.734 -3.035 -3.278 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.358 -3.517 -4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.477 -5.714 -4.511 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.891 -5.185 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.732 -3.720 -5.426 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.735 -4.896 -4.599 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.144 -3.137 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.335 -2.745 -5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.255 -1.286 -5.495 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -20.328 -1.262 -2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.251 -0.450 -3.363 1.00 0.00 H new ATOM 423 N PHE A 33 -13.499 -3.211 -2.351 1.00 0.00 N ATOM 424 CA PHE A 33 -12.392 -2.263 -2.291 1.00 0.00 C ATOM 425 C PHE A 33 -11.641 -2.386 -0.968 1.00 0.00 C ATOM 426 O PHE A 33 -11.987 -3.209 -0.120 1.00 0.00 O ATOM 427 CB PHE A 33 -12.907 -0.833 -2.467 1.00 0.00 C ATOM 428 CG PHE A 33 -13.439 -0.227 -1.200 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.588 0.408 -0.310 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.790 -0.293 -0.899 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.075 0.967 0.857 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.282 0.265 0.265 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.423 0.894 1.145 1.00 0.00 C ATOM 0 H PHE A 33 -13.787 -3.581 -1.445 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.703 -2.496 -3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.099 -0.209 -2.847 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.694 -0.829 -3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.532 0.467 -0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.466 -0.786 -1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.402 1.460 1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.338 0.209 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.805 1.328 2.057 1.00 0.00 H new ATOM 443 N ILE A 34 -10.613 -1.562 -0.800 1.00 0.00 N ATOM 444 CA ILE A 34 -9.814 -1.577 0.419 1.00 0.00 C ATOM 445 C ILE A 34 -9.269 -0.189 0.737 1.00 0.00 C ATOM 446 O ILE A 34 -8.621 0.443 -0.098 1.00 0.00 O ATOM 447 CB ILE A 34 -8.637 -2.565 0.308 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.151 -3.970 -0.011 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.827 -2.571 1.596 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.050 -4.960 -0.324 1.00 0.00 C ATOM 0 H ILE A 34 -10.314 -0.876 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.474 -1.899 1.225 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.987 -2.243 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.729 -4.338 0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.831 -3.915 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.999 -3.274 1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.435 -1.571 1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.466 -2.872 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.488 -5.935 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.486 -4.615 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.382 -5.044 0.533 1.00 0.00 H new ATOM 462 N LYS A 35 -9.535 0.281 1.951 1.00 0.00 N ATOM 463 CA LYS A 35 -9.069 1.593 2.383 1.00 0.00 C ATOM 464 C LYS A 35 -7.633 1.521 2.892 1.00 0.00 C ATOM 465 O LYS A 35 -7.319 0.737 3.788 1.00 0.00 O ATOM 466 CB LYS A 35 -9.983 2.146 3.480 1.00 0.00 C ATOM 467 CG LYS A 35 -9.833 3.641 3.701 1.00 0.00 C ATOM 468 CD LYS A 35 -10.814 4.431 2.851 1.00 0.00 C ATOM 469 CE LYS A 35 -10.572 5.928 2.968 1.00 0.00 C ATOM 470 NZ LYS A 35 -11.832 6.707 2.813 1.00 0.00 N ATOM 0 H LYS A 35 -10.071 -0.228 2.654 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.097 2.262 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.019 1.928 3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.771 1.626 4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.994 3.872 4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.814 3.945 3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.721 4.127 1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.833 4.201 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.125 6.149 3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.856 6.241 2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.625 7.723 2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.246 6.516 1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.506 6.427 3.554 1.00 0.00 H new ATOM 484 N LEU A 36 -6.764 2.345 2.315 1.00 0.00 N ATOM 485 CA LEU A 36 -5.361 2.376 2.711 1.00 0.00 C ATOM 486 C LEU A 36 -5.041 3.651 3.484 1.00 0.00 C ATOM 487 O LEU A 36 -5.711 4.672 3.325 1.00 0.00 O ATOM 488 CB LEU A 36 -4.460 2.273 1.479 1.00 0.00 C ATOM 489 CG LEU A 36 -4.051 0.859 1.063 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.134 0.240 2.105 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.282 -0.010 0.848 1.00 0.00 C ATOM 0 H LEU A 36 -7.007 3.000 1.572 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.174 1.522 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.971 2.744 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.555 2.851 1.666 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.506 0.921 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.854 -0.766 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.237 0.851 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.653 0.190 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.973 -1.013 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.855 -0.065 1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.902 0.424 0.063 1.00 0.00 H new ATOM 503 N THR A 37 -4.010 3.588 4.321 1.00 0.00 N ATOM 504 CA THR A 37 -3.599 4.737 5.117 1.00 0.00 C ATOM 505 C THR A 37 -2.132 4.633 5.517 1.00 0.00 C ATOM 506 O THR A 37 -1.712 3.646 6.120 1.00 0.00 O ATOM 507 CB THR A 37 -4.458 4.875 6.389 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.369 3.679 7.172 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.912 5.147 6.033 1.00 0.00 C ATOM 0 H THR A 37 -3.444 2.752 4.465 1.00 0.00 H new ATOM 0 HA THR A 37 -3.741 5.620 4.494 1.00 0.00 H new ATOM 0 HB THR A 37 -4.079 5.717 6.968 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.916 3.775 7.979 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.499 5.241 6.947 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.980 6.073 5.462 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.301 4.323 5.435 1.00 0.00 H new ATOM 517 N TRP A 38 -1.358 5.658 5.179 1.00 0.00 N ATOM 518 CA TRP A 38 0.063 5.682 5.505 1.00 0.00 C ATOM 519 C TRP A 38 0.491 7.067 5.978 1.00 0.00 C ATOM 520 O TRP A 38 -0.278 8.025 5.897 1.00 0.00 O ATOM 521 CB TRP A 38 0.893 5.267 4.288 1.00 0.00 C ATOM 522 CG TRP A 38 0.646 6.120 3.082 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.247 7.310 2.782 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.269 5.851 2.014 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.760 7.796 1.593 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.170 6.919 1.101 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.161 4.810 1.739 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.931 6.974 -0.064 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.915 4.867 0.583 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.796 5.942 -0.308 1.00 0.00 C ATOM 0 H TRP A 38 -1.690 6.483 4.680 1.00 0.00 H new ATOM 0 HA TRP A 38 0.236 4.973 6.315 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.951 5.313 4.546 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.670 4.229 4.042 1.00 0.00 H new ATOM 0 HD1 TRP A 38 1.995 7.797 3.390 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.045 8.669 1.148 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.259 3.976 2.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.842 7.802 -0.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.608 4.069 0.362 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.398 5.956 -1.204 1.00 0.00 H new ATOM 541 N ARG A 39 1.720 7.165 6.472 1.00 0.00 N ATOM 542 CA ARG A 39 2.248 8.434 6.960 1.00 0.00 C ATOM 543 C ARG A 39 3.230 9.035 5.958 1.00 0.00 C ATOM 544 O ARG A 39 3.488 8.457 4.901 1.00 0.00 O ATOM 545 CB ARG A 39 2.939 8.238 8.311 1.00 0.00 C ATOM 546 CG ARG A 39 1.999 8.363 9.499 1.00 0.00 C ATOM 547 CD ARG A 39 2.760 8.354 10.815 1.00 0.00 C ATOM 548 NE ARG A 39 1.865 8.443 11.965 1.00 0.00 N ATOM 549 CZ ARG A 39 2.289 8.568 13.218 1.00 0.00 C ATOM 550 NH1 ARG A 39 3.587 8.618 13.480 1.00 0.00 N ATOM 551 NH2 ARG A 39 1.413 8.642 14.212 1.00 0.00 N ATOM 0 H ARG A 39 2.369 6.382 6.545 1.00 0.00 H new ATOM 0 HA ARG A 39 1.412 9.123 7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.407 7.254 8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.738 8.973 8.411 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.426 9.286 9.415 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.283 7.541 9.486 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.351 7.441 10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.460 9.189 10.835 1.00 0.00 H new ATOM 0 HE ARG A 39 0.859 8.407 11.797 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.264 8.561 12.719 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.910 8.714 14.443 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.413 8.603 14.015 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.740 8.738 15.174 1.00 0.00 H new ATOM 565 N THR A 40 3.774 10.200 6.296 1.00 0.00 N ATOM 566 CA THR A 40 4.725 10.881 5.426 1.00 0.00 C ATOM 567 C THR A 40 6.069 10.163 5.413 1.00 0.00 C ATOM 568 O THR A 40 6.518 9.615 6.421 1.00 0.00 O ATOM 569 CB THR A 40 4.940 12.342 5.863 1.00 0.00 C ATOM 570 OG1 THR A 40 4.856 12.444 7.289 1.00 0.00 O ATOM 571 CG2 THR A 40 3.906 13.256 5.223 1.00 0.00 C ATOM 0 H THR A 40 3.572 10.692 7.167 1.00 0.00 H new ATOM 0 HA THR A 40 4.300 10.869 4.422 1.00 0.00 H new ATOM 0 HB THR A 40 5.931 12.654 5.534 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.024 13.370 7.561 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.078 14.283 5.546 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.991 13.198 4.138 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.907 12.943 5.525 1.00 0.00 H new ATOM 579 N PRO A 41 6.731 10.164 4.246 1.00 0.00 N ATOM 580 CA PRO A 41 8.035 9.518 4.075 1.00 0.00 C ATOM 581 C PRO A 41 9.147 10.251 4.819 1.00 0.00 C ATOM 582 O PRO A 41 9.051 11.451 5.073 1.00 0.00 O ATOM 583 CB PRO A 41 8.269 9.585 2.564 1.00 0.00 C ATOM 584 CG PRO A 41 7.462 10.751 2.107 1.00 0.00 C ATOM 585 CD PRO A 41 6.256 10.798 3.005 1.00 0.00 C ATOM 0 HA PRO A 41 8.044 8.505 4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.326 9.720 2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.950 8.666 2.073 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.037 11.675 2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.167 10.637 1.064 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.923 11.821 3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.413 10.257 2.575 1.00 0.00 H new ATOM 593 N ALA A 42 10.203 9.520 5.164 1.00 0.00 N ATOM 594 CA ALA A 42 11.334 10.102 5.876 1.00 0.00 C ATOM 595 C ALA A 42 11.937 11.264 5.093 1.00 0.00 C ATOM 596 O ALA A 42 12.389 12.249 5.676 1.00 0.00 O ATOM 597 CB ALA A 42 12.390 9.040 6.145 1.00 0.00 C ATOM 0 H ALA A 42 10.298 8.525 4.962 1.00 0.00 H new ATOM 0 HA ALA A 42 10.972 10.489 6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.229 9.488 6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.959 8.244 6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.739 8.627 5.199 1.00 0.00 H new ATOM 603 N SER A 43 11.940 11.142 3.770 1.00 0.00 N ATOM 604 CA SER A 43 12.491 12.180 2.907 1.00 0.00 C ATOM 605 C SER A 43 11.612 13.427 2.928 1.00 0.00 C ATOM 606 O SER A 43 12.111 14.552 2.946 1.00 0.00 O ATOM 607 CB SER A 43 12.629 11.663 1.474 1.00 0.00 C ATOM 608 OG SER A 43 13.063 12.691 0.601 1.00 0.00 O ATOM 0 H SER A 43 11.567 10.334 3.272 1.00 0.00 H new ATOM 0 HA SER A 43 13.478 12.446 3.285 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.339 10.836 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.671 11.271 1.132 1.00 0.00 H new ATOM 0 HG SER A 43 13.145 12.335 -0.308 1.00 0.00 H new ATOM 614 N ASP A 44 10.300 13.218 2.925 1.00 0.00 N ATOM 615 CA ASP A 44 9.349 14.324 2.944 1.00 0.00 C ATOM 616 C ASP A 44 8.366 14.175 4.101 1.00 0.00 C ATOM 617 O ASP A 44 7.405 13.408 4.037 1.00 0.00 O ATOM 618 CB ASP A 44 8.589 14.394 1.619 1.00 0.00 C ATOM 619 CG ASP A 44 9.373 15.115 0.540 1.00 0.00 C ATOM 620 OD1 ASP A 44 9.401 16.363 0.560 1.00 0.00 O ATOM 621 OD2 ASP A 44 9.959 14.430 -0.326 1.00 0.00 O ATOM 0 H ASP A 44 9.871 12.293 2.910 1.00 0.00 H new ATOM 0 HA ASP A 44 9.908 15.249 3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.358 13.383 1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.638 14.903 1.775 1.00 0.00 H new ATOM 626 N PRO A 45 8.611 14.924 5.186 1.00 0.00 N ATOM 627 CA PRO A 45 7.759 14.893 6.379 1.00 0.00 C ATOM 628 C PRO A 45 6.392 15.523 6.131 1.00 0.00 C ATOM 629 O PRO A 45 5.469 15.361 6.930 1.00 0.00 O ATOM 630 CB PRO A 45 8.549 15.714 7.401 1.00 0.00 C ATOM 631 CG PRO A 45 9.396 16.625 6.581 1.00 0.00 C ATOM 632 CD PRO A 45 9.738 15.861 5.332 1.00 0.00 C ATOM 0 HA PRO A 45 7.548 13.874 6.703 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.884 16.275 8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.159 15.073 8.038 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.862 17.544 6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.298 16.912 7.122 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.826 16.521 4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.688 15.335 5.430 1.00 0.00 H new ATOM 640 N HIS A 46 6.269 16.241 5.019 1.00 0.00 N ATOM 641 CA HIS A 46 5.014 16.894 4.666 1.00 0.00 C ATOM 642 C HIS A 46 4.410 16.269 3.413 1.00 0.00 C ATOM 643 O HIS A 46 3.197 16.308 3.210 1.00 0.00 O ATOM 644 CB HIS A 46 5.237 18.391 4.447 1.00 0.00 C ATOM 645 CG HIS A 46 5.203 19.193 5.711 1.00 0.00 C ATOM 646 ND1 HIS A 46 4.680 20.467 5.780 1.00 0.00 N ATOM 647 CD2 HIS A 46 5.631 18.895 6.960 1.00 0.00 C ATOM 648 CE1 HIS A 46 4.788 20.918 7.017 1.00 0.00 C ATOM 649 NE2 HIS A 46 5.362 19.984 7.753 1.00 0.00 N ATOM 0 H HIS A 46 7.023 16.385 4.347 1.00 0.00 H new ATOM 0 HA HIS A 46 4.316 16.755 5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.200 18.539 3.959 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.473 18.768 3.767 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.097 17.973 7.275 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.462 21.886 7.367 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.572 20.059 8.748 1.00 0.00 H new ATOM 658 N GLY A 47 5.265 15.692 2.574 1.00 0.00 N ATOM 659 CA GLY A 47 4.797 15.068 1.350 1.00 0.00 C ATOM 660 C GLY A 47 3.583 15.767 0.770 1.00 0.00 C ATOM 661 O GLY A 47 2.673 15.119 0.252 1.00 0.00 O ATOM 0 H GLY A 47 6.273 15.646 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.601 15.072 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.551 14.025 1.549 1.00 0.00 H new ATOM 665 N ASP A 48 3.569 17.093 0.856 1.00 0.00 N ATOM 666 CA ASP A 48 2.458 17.881 0.336 1.00 0.00 C ATOM 667 C ASP A 48 2.727 18.317 -1.101 1.00 0.00 C ATOM 668 O ASP A 48 1.825 18.781 -1.798 1.00 0.00 O ATOM 669 CB ASP A 48 2.218 19.107 1.218 1.00 0.00 C ATOM 670 CG ASP A 48 1.267 18.820 2.363 1.00 0.00 C ATOM 671 OD1 ASP A 48 1.727 18.292 3.398 1.00 0.00 O ATOM 672 OD2 ASP A 48 0.064 19.123 2.226 1.00 0.00 O ATOM 0 H ASP A 48 4.315 17.644 1.281 1.00 0.00 H new ATOM 0 HA ASP A 48 1.565 17.256 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.170 19.454 1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.815 19.916 0.609 1.00 0.00 H new ATOM 677 N ASN A 49 3.973 18.165 -1.537 1.00 0.00 N ATOM 678 CA ASN A 49 4.361 18.544 -2.890 1.00 0.00 C ATOM 679 C ASN A 49 4.643 17.310 -3.742 1.00 0.00 C ATOM 680 O ASN A 49 5.283 17.398 -4.791 1.00 0.00 O ATOM 681 CB ASN A 49 5.597 19.446 -2.855 1.00 0.00 C ATOM 682 CG ASN A 49 6.525 19.110 -1.703 1.00 0.00 C ATOM 683 OD1 ASN A 49 6.955 17.856 -1.637 1.00 0.00 O flip ATOM 684 ND2 ASN A 49 6.851 19.969 -0.884 1.00 0.00 N flip ATOM 0 H ASN A 49 4.731 17.782 -0.973 1.00 0.00 H new ATOM 0 HA ASN A 49 3.532 19.091 -3.338 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.140 19.350 -3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.282 20.486 -2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.496 20.921 -0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.477 19.729 -0.115 1.00 0.00 H new ATOM 691 N LEU A 50 4.160 16.160 -3.284 1.00 0.00 N ATOM 692 CA LEU A 50 4.359 14.906 -4.004 1.00 0.00 C ATOM 693 C LEU A 50 3.144 13.996 -3.856 1.00 0.00 C ATOM 694 O LEU A 50 2.649 13.776 -2.750 1.00 0.00 O ATOM 695 CB LEU A 50 5.611 14.193 -3.490 1.00 0.00 C ATOM 696 CG LEU A 50 5.880 14.308 -1.989 1.00 0.00 C ATOM 697 CD1 LEU A 50 5.132 13.225 -1.228 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.374 14.227 -1.708 1.00 0.00 C ATOM 0 H LEU A 50 3.628 16.070 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 50 4.490 15.138 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.533 13.136 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.475 14.587 -4.025 1.00 0.00 H new ATOM 0 HG LEU A 50 5.518 15.278 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.336 13.323 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.061 13.330 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.462 12.245 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.547 14.311 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.760 13.272 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.886 15.040 -2.223 1.00 0.00 H new ATOM 710 N THR A 51 2.669 13.466 -4.979 1.00 0.00 N ATOM 711 CA THR A 51 1.513 12.578 -4.975 1.00 0.00 C ATOM 712 C THR A 51 1.902 11.170 -4.538 1.00 0.00 C ATOM 713 O THR A 51 3.072 10.790 -4.605 1.00 0.00 O ATOM 714 CB THR A 51 0.854 12.507 -6.366 1.00 0.00 C ATOM 715 OG1 THR A 51 1.026 13.751 -7.053 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.628 12.188 -6.247 1.00 0.00 C ATOM 0 H THR A 51 3.067 13.636 -5.903 1.00 0.00 H new ATOM 0 HA THR A 51 0.799 12.993 -4.263 1.00 0.00 H new ATOM 0 HB THR A 51 1.336 11.710 -6.932 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.606 13.697 -7.937 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.072 12.143 -7.242 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.754 11.226 -5.750 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.122 12.966 -5.664 1.00 0.00 H new ATOM 724 N TYR A 52 0.916 10.401 -4.090 1.00 0.00 N ATOM 725 CA TYR A 52 1.157 9.035 -3.640 1.00 0.00 C ATOM 726 C TYR A 52 0.388 8.035 -4.499 1.00 0.00 C ATOM 727 O TYR A 52 -0.834 8.116 -4.622 1.00 0.00 O ATOM 728 CB TYR A 52 0.753 8.881 -2.173 1.00 0.00 C ATOM 729 CG TYR A 52 1.639 9.646 -1.217 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.952 9.252 -0.989 1.00 0.00 C ATOM 731 CD2 TYR A 52 1.164 10.763 -0.541 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.766 9.948 -0.116 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.971 11.466 0.333 1.00 0.00 C ATOM 734 CZ TYR A 52 3.271 11.055 0.542 1.00 0.00 C ATOM 735 OH TYR A 52 4.077 11.751 1.413 1.00 0.00 O ATOM 0 H TYR A 52 -0.057 10.700 -4.029 1.00 0.00 H new ATOM 0 HA TYR A 52 2.223 8.829 -3.740 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.276 9.219 -2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.775 7.824 -1.908 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.343 8.387 -1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.146 11.087 -0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.784 9.627 0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.586 12.333 0.850 1.00 0.00 H new ATOM 0 HH TYR A 52 3.605 11.881 2.262 1.00 0.00 H new ATOM 745 N SER A 53 1.115 7.092 -5.090 1.00 0.00 N ATOM 746 CA SER A 53 0.504 6.077 -5.940 1.00 0.00 C ATOM 747 C SER A 53 0.404 4.743 -5.207 1.00 0.00 C ATOM 748 O SER A 53 1.267 4.399 -4.400 1.00 0.00 O ATOM 749 CB SER A 53 1.312 5.905 -7.228 1.00 0.00 C ATOM 750 OG SER A 53 0.861 6.794 -8.235 1.00 0.00 O ATOM 0 H SER A 53 2.127 7.010 -4.996 1.00 0.00 H new ATOM 0 HA SER A 53 -0.503 6.409 -6.193 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.368 6.085 -7.026 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.226 4.877 -7.581 1.00 0.00 H new ATOM 0 HG SER A 53 -0.068 6.584 -8.465 1.00 0.00 H new ATOM 756 N VAL A 54 -0.656 3.994 -5.495 1.00 0.00 N ATOM 757 CA VAL A 54 -0.870 2.697 -4.865 1.00 0.00 C ATOM 758 C VAL A 54 -1.003 1.594 -5.910 1.00 0.00 C ATOM 759 O VAL A 54 -1.935 1.596 -6.715 1.00 0.00 O ATOM 760 CB VAL A 54 -2.129 2.704 -3.979 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.371 1.326 -3.382 1.00 0.00 C ATOM 762 CG2 VAL A 54 -2.004 3.753 -2.884 1.00 0.00 C ATOM 0 H VAL A 54 -1.380 4.264 -6.161 1.00 0.00 H new ATOM 0 HA VAL A 54 0.002 2.500 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.987 2.960 -4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.265 1.351 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.508 0.601 -4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.513 1.037 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.903 3.744 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.136 3.530 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.884 4.738 -3.336 1.00 0.00 H new ATOM 772 N PHE A 55 -0.066 0.652 -5.891 1.00 0.00 N ATOM 773 CA PHE A 55 -0.079 -0.458 -6.836 1.00 0.00 C ATOM 774 C PHE A 55 -0.564 -1.739 -6.165 1.00 0.00 C ATOM 775 O PHE A 55 0.082 -2.259 -5.254 1.00 0.00 O ATOM 776 CB PHE A 55 1.319 -0.672 -7.421 1.00 0.00 C ATOM 777 CG PHE A 55 1.911 0.567 -8.030 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.288 1.634 -7.231 1.00 0.00 C ATOM 779 CD2 PHE A 55 2.090 0.664 -9.400 1.00 0.00 C ATOM 780 CE1 PHE A 55 2.833 2.776 -7.788 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.635 1.803 -9.963 1.00 0.00 C ATOM 782 CZ PHE A 55 3.006 2.860 -9.156 1.00 0.00 C ATOM 0 H PHE A 55 0.712 0.635 -5.231 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.769 -0.209 -7.642 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.982 -1.033 -6.634 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.271 -1.453 -8.180 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.155 1.573 -6.161 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.800 -0.160 -10.036 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.123 3.601 -7.155 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.770 1.866 -11.033 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.431 3.751 -9.594 1.00 0.00 H new ATOM 792 N TYR A 56 -1.705 -2.243 -6.621 1.00 0.00 N ATOM 793 CA TYR A 56 -2.279 -3.462 -6.063 1.00 0.00 C ATOM 794 C TYR A 56 -2.232 -4.600 -7.078 1.00 0.00 C ATOM 795 O TYR A 56 -2.450 -4.393 -8.272 1.00 0.00 O ATOM 796 CB TYR A 56 -3.723 -3.216 -5.623 1.00 0.00 C ATOM 797 CG TYR A 56 -4.562 -2.512 -6.666 1.00 0.00 C ATOM 798 CD1 TYR A 56 -4.539 -1.128 -6.786 1.00 0.00 C ATOM 799 CD2 TYR A 56 -5.379 -3.231 -7.530 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.304 -0.480 -7.736 1.00 0.00 C ATOM 801 CE2 TYR A 56 -6.146 -2.592 -8.484 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.106 -1.217 -8.583 1.00 0.00 C ATOM 803 OH TYR A 56 -6.870 -0.576 -9.532 1.00 0.00 O ATOM 0 H TYR A 56 -2.251 -1.827 -7.375 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.685 -3.748 -5.195 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.188 -4.171 -5.379 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.719 -2.621 -4.710 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.912 -0.549 -6.125 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.415 -4.308 -7.454 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.275 0.597 -7.815 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.774 -3.166 -9.149 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.376 -1.239 -10.047 1.00 0.00 H new ATOM 813 N THR A 57 -1.946 -5.805 -6.594 1.00 0.00 N ATOM 814 CA THR A 57 -1.870 -6.977 -7.456 1.00 0.00 C ATOM 815 C THR A 57 -2.005 -8.263 -6.650 1.00 0.00 C ATOM 816 O THR A 57 -1.507 -8.360 -5.528 1.00 0.00 O ATOM 817 CB THR A 57 -0.544 -7.013 -8.239 1.00 0.00 C ATOM 818 OG1 THR A 57 -0.278 -8.345 -8.692 1.00 0.00 O ATOM 819 CG2 THR A 57 0.609 -6.526 -7.374 1.00 0.00 C ATOM 0 H THR A 57 -1.763 -5.994 -5.609 1.00 0.00 H new ATOM 0 HA THR A 57 -2.699 -6.905 -8.161 1.00 0.00 H new ATOM 0 HB THR A 57 -0.638 -6.350 -9.099 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.576 -8.652 -8.322 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.535 -6.561 -7.948 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.417 -5.501 -7.056 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.702 -7.167 -6.497 1.00 0.00 H new ATOM 827 N LYS A 58 -2.681 -9.250 -7.228 1.00 0.00 N ATOM 828 CA LYS A 58 -2.880 -10.533 -6.564 1.00 0.00 C ATOM 829 C LYS A 58 -1.544 -11.207 -6.269 1.00 0.00 C ATOM 830 O LYS A 58 -0.688 -11.316 -7.146 1.00 0.00 O ATOM 831 CB LYS A 58 -3.746 -11.450 -7.430 1.00 0.00 C ATOM 832 CG LYS A 58 -4.368 -12.604 -6.663 1.00 0.00 C ATOM 833 CD LYS A 58 -5.690 -13.034 -7.276 1.00 0.00 C ATOM 834 CE LYS A 58 -5.491 -14.113 -8.329 1.00 0.00 C ATOM 835 NZ LYS A 58 -6.621 -14.159 -9.297 1.00 0.00 N ATOM 0 H LYS A 58 -3.101 -9.186 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.390 -10.349 -5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.540 -10.860 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.138 -11.850 -8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.679 -13.449 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.526 -12.309 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.351 -13.405 -6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.181 -12.171 -7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.560 -13.929 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.391 -15.083 -7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.447 -14.907 -9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.506 -14.360 -8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.701 -13.242 -9.782 1.00 0.00 H new ATOM 849 N GLU A 59 -1.374 -11.659 -5.031 1.00 0.00 N ATOM 850 CA GLU A 59 -0.142 -12.323 -4.623 1.00 0.00 C ATOM 851 C GLU A 59 0.368 -13.248 -5.724 1.00 0.00 C ATOM 852 O GLU A 59 1.573 -13.441 -5.880 1.00 0.00 O ATOM 853 CB GLU A 59 -0.367 -13.119 -3.336 1.00 0.00 C ATOM 854 CG GLU A 59 -1.793 -13.618 -3.170 1.00 0.00 C ATOM 855 CD GLU A 59 -1.877 -14.873 -2.324 1.00 0.00 C ATOM 856 OE1 GLU A 59 -1.612 -14.786 -1.107 1.00 0.00 O ATOM 857 OE2 GLU A 59 -2.208 -15.942 -2.879 1.00 0.00 O ATOM 0 H GLU A 59 -2.074 -11.578 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 59 0.610 -11.556 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.311 -13.972 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.108 -12.493 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.397 -12.835 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.221 -13.817 -4.152 1.00 0.00 H new ATOM 864 N GLY A 60 -0.561 -13.820 -6.485 1.00 0.00 N ATOM 865 CA GLY A 60 -0.187 -14.719 -7.561 1.00 0.00 C ATOM 866 C GLY A 60 0.063 -13.989 -8.866 1.00 0.00 C ATOM 867 O GLY A 60 1.037 -14.269 -9.565 1.00 0.00 O ATOM 0 H GLY A 60 -1.565 -13.677 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.711 -15.267 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.977 -15.456 -7.706 1.00 0.00 H new ATOM 871 N ILE A 61 -0.820 -13.052 -9.196 1.00 0.00 N ATOM 872 CA ILE A 61 -0.690 -12.280 -10.426 1.00 0.00 C ATOM 873 C ILE A 61 0.433 -11.255 -10.316 1.00 0.00 C ATOM 874 O ILE A 61 0.789 -10.824 -9.220 1.00 0.00 O ATOM 875 CB ILE A 61 -2.002 -11.553 -10.775 1.00 0.00 C ATOM 876 CG1 ILE A 61 -3.144 -12.559 -10.926 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.834 -10.739 -12.050 1.00 0.00 C ATOM 878 CD1 ILE A 61 -3.050 -13.396 -12.183 1.00 0.00 C ATOM 0 H ILE A 61 -1.633 -12.809 -8.629 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.454 -12.989 -11.220 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.249 -10.871 -9.961 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.152 -13.220 -10.059 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.093 -12.022 -10.927 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.770 -10.231 -12.283 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.045 -10.000 -11.909 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.566 -11.402 -12.872 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.892 -14.087 -12.224 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.072 -12.744 -13.057 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.118 -13.961 -12.175 1.00 0.00 H new ATOM 890 N ALA A 62 0.987 -10.867 -11.461 1.00 0.00 N ATOM 891 CA ALA A 62 2.067 -9.889 -11.494 1.00 0.00 C ATOM 892 C ALA A 62 1.559 -8.525 -11.949 1.00 0.00 C ATOM 893 O ALA A 62 2.094 -7.489 -11.553 1.00 0.00 O ATOM 894 CB ALA A 62 3.186 -10.369 -12.406 1.00 0.00 C ATOM 0 H ALA A 62 0.705 -11.215 -12.377 1.00 0.00 H new ATOM 0 HA ALA A 62 2.458 -9.782 -10.482 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.986 -9.629 -12.421 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.576 -11.317 -12.036 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.799 -10.506 -13.416 1.00 0.00 H new ATOM 900 N ARG A 63 0.525 -8.533 -12.784 1.00 0.00 N ATOM 901 CA ARG A 63 -0.054 -7.296 -13.295 1.00 0.00 C ATOM 902 C ARG A 63 -0.687 -6.486 -12.167 1.00 0.00 C ATOM 903 O ARG A 63 -1.677 -6.906 -11.569 1.00 0.00 O ATOM 904 CB ARG A 63 -1.100 -7.602 -14.367 1.00 0.00 C ATOM 905 CG ARG A 63 -0.502 -8.000 -15.707 1.00 0.00 C ATOM 906 CD ARG A 63 -1.550 -8.604 -16.628 1.00 0.00 C ATOM 907 NE ARG A 63 -2.119 -9.832 -16.080 1.00 0.00 N ATOM 908 CZ ARG A 63 -2.905 -10.650 -16.770 1.00 0.00 C ATOM 909 NH1 ARG A 63 -3.214 -10.372 -18.029 1.00 0.00 N ATOM 910 NH2 ARG A 63 -3.384 -11.749 -16.202 1.00 0.00 N ATOM 0 H ARG A 63 0.071 -9.382 -13.121 1.00 0.00 H new ATOM 0 HA ARG A 63 0.747 -6.705 -13.738 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.745 -8.406 -14.014 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.732 -6.725 -14.507 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.059 -7.125 -16.183 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.302 -8.719 -15.549 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.346 -7.879 -16.795 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.101 -8.814 -17.599 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.901 -10.075 -15.114 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.848 -9.528 -18.470 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.818 -11.002 -18.557 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.149 -11.967 -15.234 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.988 -12.376 -16.734 1.00 0.00 H new ATOM 924 N GLU A 64 -0.109 -5.323 -11.884 1.00 0.00 N ATOM 925 CA GLU A 64 -0.617 -4.455 -10.827 1.00 0.00 C ATOM 926 C GLU A 64 -1.094 -3.124 -11.399 1.00 0.00 C ATOM 927 O GLU A 64 -0.504 -2.593 -12.341 1.00 0.00 O ATOM 928 CB GLU A 64 0.465 -4.212 -9.773 1.00 0.00 C ATOM 929 CG GLU A 64 1.524 -3.213 -10.207 1.00 0.00 C ATOM 930 CD GLU A 64 2.776 -3.282 -9.354 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.651 -3.515 -8.134 1.00 0.00 O ATOM 932 OE2 GLU A 64 3.881 -3.104 -9.908 1.00 0.00 O ATOM 0 H GLU A 64 0.710 -4.960 -12.371 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.465 -4.954 -10.358 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.006 -3.855 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.948 -5.160 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.788 -3.398 -11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.110 -2.206 -10.157 1.00 0.00 H new ATOM 939 N ARG A 65 -2.166 -2.589 -10.824 1.00 0.00 N ATOM 940 CA ARG A 65 -2.724 -1.321 -11.277 1.00 0.00 C ATOM 941 C ARG A 65 -2.391 -0.200 -10.296 1.00 0.00 C ATOM 942 O ARG A 65 -2.445 -0.387 -9.081 1.00 0.00 O ATOM 943 CB ARG A 65 -4.240 -1.436 -11.441 1.00 0.00 C ATOM 944 CG ARG A 65 -4.668 -2.546 -12.387 1.00 0.00 C ATOM 945 CD ARG A 65 -4.779 -2.045 -13.819 1.00 0.00 C ATOM 946 NE ARG A 65 -3.487 -2.042 -14.500 1.00 0.00 N ATOM 947 CZ ARG A 65 -3.333 -1.738 -15.783 1.00 0.00 C ATOM 948 NH1 ARG A 65 -4.385 -1.412 -16.521 1.00 0.00 N ATOM 949 NH2 ARG A 65 -2.125 -1.758 -16.331 1.00 0.00 N ATOM 0 H ARG A 65 -2.666 -3.014 -10.043 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.279 -1.081 -12.242 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.691 -1.609 -10.464 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.630 -0.487 -11.808 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.948 -3.363 -12.341 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.628 -2.949 -12.066 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.478 -2.675 -14.370 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.191 -1.036 -13.819 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.657 -2.287 -13.960 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.315 -1.394 -16.103 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.264 -1.179 -17.507 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.313 -2.007 -15.766 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.008 -1.524 -17.317 1.00 0.00 H new ATOM 963 N VAL A 66 -2.047 0.966 -10.834 1.00 0.00 N ATOM 964 CA VAL A 66 -1.706 2.118 -10.007 1.00 0.00 C ATOM 965 C VAL A 66 -2.905 3.044 -9.833 1.00 0.00 C ATOM 966 O VAL A 66 -3.675 3.259 -10.768 1.00 0.00 O ATOM 967 CB VAL A 66 -0.537 2.918 -10.613 1.00 0.00 C ATOM 968 CG1 VAL A 66 -1.036 3.839 -11.716 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.184 3.708 -9.532 1.00 0.00 C ATOM 0 H VAL A 66 -1.997 1.138 -11.838 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.405 1.731 -9.033 1.00 0.00 H new ATOM 0 HB VAL A 66 0.172 2.217 -11.052 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.197 4.396 -12.132 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.503 3.246 -12.502 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.766 4.536 -11.305 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.007 4.267 -9.978 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.513 4.401 -9.062 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.576 3.022 -8.781 1.00 0.00 H new ATOM 979 N GLU A 67 -3.055 3.588 -8.630 1.00 0.00 N ATOM 980 CA GLU A 67 -4.161 4.491 -8.334 1.00 0.00 C ATOM 981 C GLU A 67 -3.657 5.770 -7.671 1.00 0.00 C ATOM 982 O GLU A 67 -3.298 5.772 -6.495 1.00 0.00 O ATOM 983 CB GLU A 67 -5.182 3.802 -7.426 1.00 0.00 C ATOM 984 CG GLU A 67 -6.606 4.294 -7.628 1.00 0.00 C ATOM 985 CD GLU A 67 -6.860 5.632 -6.961 1.00 0.00 C ATOM 986 OE1 GLU A 67 -6.504 6.670 -7.556 1.00 0.00 O ATOM 987 OE2 GLU A 67 -7.416 5.640 -5.842 1.00 0.00 O ATOM 0 H GLU A 67 -2.426 3.420 -7.845 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.642 4.755 -9.276 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.149 2.727 -7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.896 3.960 -6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.809 4.380 -8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.302 3.556 -7.230 1.00 0.00 H new ATOM 994 N ASN A 68 -3.634 6.856 -8.437 1.00 0.00 N ATOM 995 CA ASN A 68 -3.173 8.142 -7.925 1.00 0.00 C ATOM 996 C ASN A 68 -4.213 8.763 -6.998 1.00 0.00 C ATOM 997 O ASN A 68 -5.392 8.857 -7.342 1.00 0.00 O ATOM 998 CB ASN A 68 -2.871 9.096 -9.082 1.00 0.00 C ATOM 999 CG ASN A 68 -2.261 8.384 -10.274 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -1.006 7.970 -10.138 1.00 0.00 O flip ATOM 1001 ND2 ASN A 68 -2.910 8.208 -11.305 1.00 0.00 N flip ATOM 0 H ASN A 68 -3.929 6.871 -9.413 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.260 7.972 -7.355 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.791 9.592 -9.390 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.189 9.874 -8.739 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.872 8.543 -11.366 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.486 7.727 -12.099 1.00 0.00 H new ATOM 1008 N THR A 69 -3.769 9.188 -5.819 1.00 0.00 N ATOM 1009 CA THR A 69 -4.661 9.800 -4.842 1.00 0.00 C ATOM 1010 C THR A 69 -5.377 11.008 -5.432 1.00 0.00 C ATOM 1011 O THR A 69 -4.741 11.934 -5.935 1.00 0.00 O ATOM 1012 CB THR A 69 -3.895 10.237 -3.579 1.00 0.00 C ATOM 1013 OG1 THR A 69 -2.874 11.180 -3.927 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.268 9.038 -2.883 1.00 0.00 C ATOM 0 H THR A 69 -2.797 9.120 -5.518 1.00 0.00 H new ATOM 0 HA THR A 69 -5.397 9.044 -4.568 1.00 0.00 H new ATOM 0 HB THR A 69 -4.604 10.704 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.234 12.089 -3.864 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.733 9.372 -1.994 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.050 8.336 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.572 8.546 -3.562 1.00 0.00 H new ATOM 1022 N SER A 70 -6.705 10.994 -5.367 1.00 0.00 N ATOM 1023 CA SER A 70 -7.508 12.089 -5.898 1.00 0.00 C ATOM 1024 C SER A 70 -6.835 13.433 -5.639 1.00 0.00 C ATOM 1025 O SER A 70 -6.970 14.370 -6.426 1.00 0.00 O ATOM 1026 CB SER A 70 -8.904 12.076 -5.271 1.00 0.00 C ATOM 1027 OG SER A 70 -9.667 10.981 -5.749 1.00 0.00 O ATOM 0 H SER A 70 -7.247 10.236 -4.952 1.00 0.00 H new ATOM 0 HA SER A 70 -7.599 11.950 -6.975 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.818 12.018 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.418 13.009 -5.500 1.00 0.00 H new ATOM 0 HG SER A 70 -10.554 10.994 -5.332 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.108 13.519 -4.529 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.412 14.748 -4.165 1.00 0.00 C ATOM 1035 C HIS A 71 -3.967 14.457 -3.769 1.00 0.00 C ATOM 1036 O HIS A 71 -3.661 13.439 -3.148 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.137 15.448 -3.016 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.608 15.610 -3.246 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.189 16.815 -3.580 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.617 14.710 -3.190 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.493 16.649 -3.717 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.778 15.380 -3.487 1.00 0.00 N ATOM 0 H HIS A 71 -5.986 12.753 -3.867 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.407 15.405 -5.035 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.981 14.879 -2.099 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.691 16.431 -2.861 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.526 13.660 -2.955 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.205 17.420 -3.973 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.709 14.965 -3.524 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.057 15.371 -4.136 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.630 15.234 -3.829 1.00 0.00 C ATOM 1053 C PRO A 72 -1.338 15.398 -2.342 1.00 0.00 C ATOM 1054 O PRO A 72 -1.753 16.376 -1.722 1.00 0.00 O ATOM 1055 CB PRO A 72 -0.985 16.369 -4.629 1.00 0.00 C ATOM 1056 CG PRO A 72 -2.065 17.383 -4.785 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.350 16.608 -4.878 1.00 0.00 C ATOM 0 HA PRO A 72 -1.251 14.244 -4.085 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.125 16.784 -4.104 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.628 16.018 -5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.083 18.068 -3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.908 17.986 -5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.182 17.155 -4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.620 16.401 -5.913 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.620 14.433 -1.774 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.285 14.490 -0.363 1.00 0.00 C ATOM 1067 C GLY A 73 -1.160 13.581 0.478 1.00 0.00 C ATOM 1068 O GLY A 73 -0.732 13.090 1.522 1.00 0.00 O ATOM 0 H GLY A 73 -0.265 13.613 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.760 14.209 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.387 15.516 -0.010 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.389 13.358 0.022 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.326 12.504 0.742 1.00 0.00 C ATOM 1074 C GLU A 74 -2.598 11.345 1.417 1.00 0.00 C ATOM 1075 O GLU A 74 -1.798 10.652 0.790 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.394 11.964 -0.211 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.734 11.707 0.458 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.776 11.175 -0.507 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.392 10.473 -1.465 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -7.974 11.462 -0.304 1.00 0.00 O ATOM 0 H GLU A 74 -2.758 13.756 -0.841 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.808 13.106 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.535 12.675 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.036 11.036 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.599 10.993 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.097 12.633 0.904 1.00 0.00 H new ATOM 1087 N MET A 75 -2.882 11.142 2.699 1.00 0.00 N ATOM 1088 CA MET A 75 -2.255 10.067 3.460 1.00 0.00 C ATOM 1089 C MET A 75 -3.135 8.820 3.465 1.00 0.00 C ATOM 1090 O MET A 75 -2.944 7.920 4.282 1.00 0.00 O ATOM 1091 CB MET A 75 -1.984 10.520 4.895 1.00 0.00 C ATOM 1092 CG MET A 75 -0.896 11.576 5.004 1.00 0.00 C ATOM 1093 SD MET A 75 0.755 10.862 5.128 1.00 0.00 S ATOM 1094 CE MET A 75 1.162 10.647 3.397 1.00 0.00 C ATOM 0 H MET A 75 -3.542 11.707 3.233 1.00 0.00 H new ATOM 0 HA MET A 75 -1.308 9.820 2.980 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.906 10.914 5.323 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.700 9.654 5.493 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.941 12.229 4.133 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.085 12.198 5.879 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.211 10.365 3.302 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.535 9.864 2.970 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.988 11.581 2.864 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.097 8.776 2.549 1.00 0.00 N ATOM 1105 CA GLN A 76 -5.005 7.640 2.451 1.00 0.00 C ATOM 1106 C GLN A 76 -5.754 7.655 1.122 1.00 0.00 C ATOM 1107 O GLN A 76 -6.002 8.716 0.549 1.00 0.00 O ATOM 1108 CB GLN A 76 -6.002 7.655 3.611 1.00 0.00 C ATOM 1109 CG GLN A 76 -6.970 8.826 3.566 1.00 0.00 C ATOM 1110 CD GLN A 76 -6.296 10.152 3.858 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -5.254 10.201 4.512 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -6.889 11.237 3.373 1.00 0.00 N ATOM 0 H GLN A 76 -4.267 9.513 1.865 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.411 6.727 2.503 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.570 6.725 3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.452 7.685 4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.437 8.869 2.582 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.768 8.661 4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.752 11.150 2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.481 12.157 3.537 1.00 0.00 H new ATOM 1121 N VAL A 77 -6.111 6.470 0.636 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.832 6.347 -0.626 1.00 0.00 C ATOM 1123 C VAL A 77 -7.638 5.055 -0.674 1.00 0.00 C ATOM 1124 O VAL A 77 -7.296 4.071 -0.017 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.869 6.384 -1.828 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -5.101 5.076 -1.937 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.632 6.673 -3.112 1.00 0.00 C ATOM 0 H VAL A 77 -5.913 5.582 1.097 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.511 7.198 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.149 7.188 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.426 5.121 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.524 4.916 -1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.802 4.252 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.937 6.696 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.375 5.893 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.132 7.638 -3.029 1.00 0.00 H new ATOM 1137 N THR A 78 -8.712 5.062 -1.457 1.00 0.00 N ATOM 1138 CA THR A 78 -9.569 3.891 -1.591 1.00 0.00 C ATOM 1139 C THR A 78 -9.345 3.196 -2.929 1.00 0.00 C ATOM 1140 O THR A 78 -9.359 3.836 -3.982 1.00 0.00 O ATOM 1141 CB THR A 78 -11.058 4.266 -1.464 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.295 4.906 -0.205 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.939 3.032 -1.586 1.00 0.00 C ATOM 0 H THR A 78 -9.009 5.867 -2.009 1.00 0.00 H new ATOM 0 HA THR A 78 -9.303 3.211 -0.782 1.00 0.00 H new ATOM 0 HB THR A 78 -11.308 4.952 -2.273 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.243 5.143 -0.132 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.986 3.322 -1.493 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.777 2.564 -2.557 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.687 2.325 -0.796 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.139 1.884 -2.882 1.00 0.00 N ATOM 1152 CA ILE A 79 -8.913 1.103 -4.092 1.00 0.00 C ATOM 1153 C ILE A 79 -10.136 0.260 -4.438 1.00 0.00 C ATOM 1154 O ILE A 79 -10.306 -0.845 -3.924 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.691 0.177 -3.945 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.487 0.965 -3.425 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.364 -0.483 -5.276 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -5.957 1.981 -4.412 1.00 0.00 C ATOM 0 H ILE A 79 -9.124 1.340 -2.019 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.725 1.814 -4.896 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.930 -0.604 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.768 1.477 -2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.689 0.267 -3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.498 -1.134 -5.156 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.218 -1.072 -5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.141 0.284 -6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.104 2.502 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.644 1.473 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.740 2.702 -4.648 1.00 0.00 H new ATOM 1170 N GLN A 80 -10.984 0.790 -5.314 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.191 0.085 -5.730 1.00 0.00 C ATOM 1172 C GLN A 80 -11.898 -0.859 -6.891 1.00 0.00 C ATOM 1173 O GLN A 80 -10.763 -0.952 -7.356 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.278 1.084 -6.131 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.672 2.036 -5.013 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.733 3.031 -5.441 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -15.544 2.750 -6.324 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -14.734 4.202 -4.814 1.00 0.00 N ATOM 0 H GLN A 80 -10.858 1.704 -5.749 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.545 -0.507 -4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.929 1.664 -6.985 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.161 0.535 -6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.040 1.461 -4.164 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.789 2.576 -4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.043 4.392 -4.088 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.426 4.911 -5.058 1.00 0.00 H new ATOM 1187 N ASN A 81 -12.929 -1.558 -7.354 1.00 0.00 N ATOM 1188 CA ASN A 81 -12.781 -2.496 -8.461 1.00 0.00 C ATOM 1189 C ASN A 81 -11.897 -3.673 -8.062 1.00 0.00 C ATOM 1190 O ASN A 81 -10.961 -4.032 -8.778 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.188 -1.788 -9.681 1.00 0.00 C ATOM 1192 CG ASN A 81 -12.819 -0.431 -9.926 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -12.155 0.622 -9.467 1.00 0.00 O flip ATOM 1194 ND2 ASN A 81 -13.892 -0.332 -10.522 1.00 0.00 N flip ATOM 0 H ASN A 81 -13.876 -1.493 -6.980 1.00 0.00 H new ATOM 0 HA ASN A 81 -13.770 -2.878 -8.716 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.114 -1.666 -9.540 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.325 -2.414 -10.563 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -14.368 -1.169 -10.858 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -14.305 0.587 -10.680 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.199 -4.271 -6.915 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.433 -5.409 -6.420 1.00 0.00 C ATOM 1203 C LEU A 82 -12.336 -6.618 -6.195 1.00 0.00 C ATOM 1204 O LEU A 82 -13.559 -6.492 -6.160 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.720 -5.041 -5.117 1.00 0.00 C ATOM 1206 CG LEU A 82 -9.747 -3.864 -5.194 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.151 -3.575 -3.825 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.648 -4.146 -6.208 1.00 0.00 C ATOM 0 H LEU A 82 -12.969 -3.986 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.689 -5.670 -7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.475 -4.814 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.173 -5.916 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.298 -2.982 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.461 -2.734 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.950 -3.329 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.615 -4.454 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.965 -3.298 -6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.099 -5.040 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.092 -4.303 -7.191 1.00 0.00 H new ATOM 1220 N MET A 83 -11.723 -7.787 -6.043 1.00 0.00 N ATOM 1221 CA MET A 83 -12.473 -9.018 -5.818 1.00 0.00 C ATOM 1222 C MET A 83 -12.452 -9.405 -4.343 1.00 0.00 C ATOM 1223 O MET A 83 -11.424 -9.330 -3.671 1.00 0.00 O ATOM 1224 CB MET A 83 -11.893 -10.154 -6.663 1.00 0.00 C ATOM 1225 CG MET A 83 -12.629 -11.474 -6.493 1.00 0.00 C ATOM 1226 SD MET A 83 -13.981 -11.673 -7.669 1.00 0.00 S ATOM 1227 CE MET A 83 -13.085 -12.197 -9.129 1.00 0.00 C ATOM 0 H MET A 83 -10.711 -7.908 -6.071 1.00 0.00 H new ATOM 0 HA MET A 83 -13.507 -8.844 -6.115 1.00 0.00 H new ATOM 0 HB2 MET A 83 -11.920 -9.865 -7.714 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.845 -10.295 -6.398 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.924 -12.297 -6.614 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.023 -11.538 -5.479 1.00 0.00 H new ATOM 0 HE1 MET A 83 -13.786 -12.361 -9.947 1.00 0.00 H new ATOM 0 HE2 MET A 83 -12.370 -11.425 -9.414 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.553 -13.124 -8.916 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.615 -9.828 -3.825 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.757 -10.234 -2.423 1.00 0.00 C ATOM 1239 C PRO A 84 -13.035 -11.544 -2.124 1.00 0.00 C ATOM 1240 O PRO A 84 -12.773 -12.339 -3.026 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.268 -10.406 -2.255 1.00 0.00 C ATOM 1242 CG PRO A 84 -15.771 -10.704 -3.625 1.00 0.00 C ATOM 1243 CD PRO A 84 -14.882 -9.941 -4.567 1.00 0.00 C ATOM 0 HA PRO A 84 -13.319 -9.505 -1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.500 -11.216 -1.564 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.727 -9.503 -1.853 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.731 -11.774 -3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.811 -10.396 -3.734 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.749 -10.470 -5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.296 -8.962 -4.806 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.716 -11.762 -0.853 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.027 -12.976 -0.435 1.00 0.00 C ATOM 1253 C ALA A 85 -10.833 -13.268 -1.339 1.00 0.00 C ATOM 1254 O ALA A 85 -10.589 -14.417 -1.711 1.00 0.00 O ATOM 1255 CB ALA A 85 -12.989 -14.154 -0.431 1.00 0.00 C ATOM 0 H ALA A 85 -12.924 -11.113 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.654 -12.823 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.461 -15.054 -0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.807 -13.953 0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.390 -14.300 -1.434 1.00 0.00 H new ATOM 1261 N THR A 86 -10.092 -12.222 -1.690 1.00 0.00 N ATOM 1262 CA THR A 86 -8.926 -12.366 -2.551 1.00 0.00 C ATOM 1263 C THR A 86 -7.754 -11.540 -2.033 1.00 0.00 C ATOM 1264 O THR A 86 -7.855 -10.320 -1.896 1.00 0.00 O ATOM 1265 CB THR A 86 -9.240 -11.941 -3.998 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.329 -12.716 -4.511 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.020 -12.117 -4.890 1.00 0.00 C ATOM 0 H THR A 86 -10.279 -11.265 -1.391 1.00 0.00 H new ATOM 0 HA THR A 86 -8.655 -13.422 -2.541 1.00 0.00 H new ATOM 0 HB THR A 86 -9.517 -10.887 -3.992 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.138 -12.528 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.266 -11.811 -5.907 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.202 -11.503 -4.513 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.717 -13.164 -4.890 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.643 -12.211 -1.748 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.451 -11.537 -1.247 1.00 0.00 C ATOM 1277 C VAL A 87 -4.863 -10.604 -2.300 1.00 0.00 C ATOM 1278 O VAL A 87 -4.824 -10.934 -3.485 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.373 -12.550 -0.816 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.144 -11.829 -0.283 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.931 -13.510 0.224 1.00 0.00 C ATOM 0 H VAL A 87 -6.543 -13.220 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.759 -10.953 -0.380 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.074 -13.129 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.394 -12.561 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.733 -11.186 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.423 -11.223 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.157 -14.219 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.259 -12.948 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.778 -14.052 -0.198 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.407 -9.437 -1.859 1.00 0.00 N ATOM 1292 CA TYR A 88 -3.823 -8.454 -2.763 1.00 0.00 C ATOM 1293 C TYR A 88 -2.649 -7.737 -2.104 1.00 0.00 C ATOM 1294 O TYR A 88 -2.697 -7.403 -0.919 1.00 0.00 O ATOM 1295 CB TYR A 88 -4.879 -7.436 -3.195 1.00 0.00 C ATOM 1296 CG TYR A 88 -5.865 -7.978 -4.205 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.479 -8.236 -5.514 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.184 -8.233 -3.849 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.377 -8.730 -6.440 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.089 -8.729 -4.768 1.00 0.00 C ATOM 1301 CZ TYR A 88 -7.680 -8.976 -6.062 1.00 0.00 C ATOM 1302 OH TYR A 88 -8.578 -9.470 -6.981 1.00 0.00 O ATOM 0 H TYR A 88 -4.431 -9.149 -0.881 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.455 -8.982 -3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.424 -7.095 -2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.380 -6.565 -3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.459 -8.047 -5.813 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.507 -8.040 -2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.060 -8.922 -7.454 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.110 -8.922 -4.475 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.103 -10.018 -7.640 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.596 -7.503 -2.879 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.410 -6.823 -2.372 1.00 0.00 C ATOM 1314 C ILE A 89 -0.411 -5.350 -2.763 1.00 0.00 C ATOM 1315 O ILE A 89 -0.197 -5.004 -3.926 1.00 0.00 O ATOM 1316 CB ILE A 89 0.882 -7.481 -2.894 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.757 -9.005 -2.852 1.00 0.00 C ATOM 1318 CG2 ILE A 89 2.079 -7.019 -2.076 1.00 0.00 C ATOM 1319 CD1 ILE A 89 0.504 -9.553 -1.465 1.00 0.00 C ATOM 0 H ILE A 89 -1.539 -7.774 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.438 -6.907 -1.286 1.00 0.00 H new ATOM 0 HB ILE A 89 1.035 -7.177 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.056 -9.313 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.671 -9.447 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.984 -7.492 -2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.176 -5.936 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.935 -7.297 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.426 -10.639 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.329 -9.276 -0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.426 -9.139 -1.074 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.651 -4.483 -1.785 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.679 -3.046 -2.026 1.00 0.00 C ATOM 1333 C PHE A 90 0.690 -2.424 -1.765 1.00 0.00 C ATOM 1334 O PHE A 90 1.353 -2.746 -0.779 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.732 -2.378 -1.139 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.140 -2.784 -1.470 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.668 -3.967 -0.980 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -3.934 -1.982 -2.273 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -4.963 -4.343 -1.283 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.230 -2.353 -2.580 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.745 -3.535 -2.085 1.00 0.00 C ATOM 0 H PHE A 90 -0.829 -4.751 -0.817 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.939 -2.884 -3.072 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.527 -2.624 -0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.642 -1.296 -1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.060 -4.603 -0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.536 -1.057 -2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.363 -5.267 -0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.839 -1.719 -3.207 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.757 -3.827 -2.324 1.00 0.00 H new ATOM 1351 N ARG A 91 1.107 -1.531 -2.657 1.00 0.00 N ATOM 1352 CA ARG A 91 2.397 -0.865 -2.525 1.00 0.00 C ATOM 1353 C ARG A 91 2.250 0.644 -2.698 1.00 0.00 C ATOM 1354 O ARG A 91 1.795 1.119 -3.738 1.00 0.00 O ATOM 1355 CB ARG A 91 3.386 -1.413 -3.556 1.00 0.00 C ATOM 1356 CG ARG A 91 3.556 -2.922 -3.494 1.00 0.00 C ATOM 1357 CD ARG A 91 4.878 -3.359 -4.105 1.00 0.00 C ATOM 1358 NE ARG A 91 4.945 -3.062 -5.534 1.00 0.00 N ATOM 1359 CZ ARG A 91 6.071 -3.089 -6.238 1.00 0.00 C ATOM 1360 NH1 ARG A 91 7.218 -3.398 -5.649 1.00 0.00 N ATOM 1361 NH2 ARG A 91 6.052 -2.806 -7.534 1.00 0.00 N ATOM 0 H ARG A 91 0.570 -1.252 -3.478 1.00 0.00 H new ATOM 0 HA ARG A 91 2.779 -1.063 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.049 -1.135 -4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.356 -0.940 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.507 -3.253 -2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.733 -3.404 -4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.698 -2.857 -3.592 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.013 -4.430 -3.950 1.00 0.00 H new ATOM 0 HE ARG A 91 4.080 -2.821 -6.017 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.237 -3.616 -4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.081 -3.418 -6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.172 -2.567 -7.991 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.917 -2.827 -8.073 1.00 0.00 H new ATOM 1375 N VAL A 92 2.638 1.393 -1.670 1.00 0.00 N ATOM 1376 CA VAL A 92 2.551 2.848 -1.708 1.00 0.00 C ATOM 1377 C VAL A 92 3.884 3.468 -2.110 1.00 0.00 C ATOM 1378 O VAL A 92 4.944 3.022 -1.673 1.00 0.00 O ATOM 1379 CB VAL A 92 2.121 3.420 -0.344 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.679 4.868 -0.488 1.00 0.00 C ATOM 1381 CG2 VAL A 92 1.012 2.573 0.262 1.00 0.00 C ATOM 0 H VAL A 92 3.016 1.016 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 92 1.797 3.101 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 92 2.978 3.392 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.379 5.255 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.505 5.464 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.836 4.924 -1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.720 2.991 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.151 2.568 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.369 1.553 0.402 1.00 0.00 H new ATOM 1391 N MET A 93 3.822 4.501 -2.944 1.00 0.00 N ATOM 1392 CA MET A 93 5.026 5.185 -3.403 1.00 0.00 C ATOM 1393 C MET A 93 4.764 6.675 -3.595 1.00 0.00 C ATOM 1394 O MET A 93 3.684 7.075 -4.028 1.00 0.00 O ATOM 1395 CB MET A 93 5.519 4.569 -4.714 1.00 0.00 C ATOM 1396 CG MET A 93 6.285 5.544 -5.593 1.00 0.00 C ATOM 1397 SD MET A 93 5.214 6.437 -6.736 1.00 0.00 S ATOM 1398 CE MET A 93 4.857 5.157 -7.936 1.00 0.00 C ATOM 0 H MET A 93 2.952 4.883 -3.315 1.00 0.00 H new ATOM 0 HA MET A 93 5.796 5.065 -2.641 1.00 0.00 H new ATOM 0 HB2 MET A 93 6.159 3.717 -4.487 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.664 4.186 -5.270 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.813 6.259 -4.962 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.041 5.000 -6.159 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.806 5.208 -8.221 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.480 5.302 -8.819 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.067 4.180 -7.500 1.00 0.00 H new ATOM 1408 N ALA A 94 5.760 7.493 -3.270 1.00 0.00 N ATOM 1409 CA ALA A 94 5.638 8.939 -3.408 1.00 0.00 C ATOM 1410 C ALA A 94 6.074 9.396 -4.796 1.00 0.00 C ATOM 1411 O ALA A 94 6.839 8.710 -5.473 1.00 0.00 O ATOM 1412 CB ALA A 94 6.457 9.643 -2.337 1.00 0.00 C ATOM 0 H ALA A 94 6.661 7.179 -2.909 1.00 0.00 H new ATOM 0 HA ALA A 94 4.589 9.204 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.356 10.722 -2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.097 9.348 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.506 9.364 -2.439 1.00 0.00 H new ATOM 1418 N GLN A 95 5.581 10.558 -5.213 1.00 0.00 N ATOM 1419 CA GLN A 95 5.919 11.105 -6.522 1.00 0.00 C ATOM 1420 C GLN A 95 6.038 12.624 -6.462 1.00 0.00 C ATOM 1421 O GLN A 95 5.079 13.320 -6.131 1.00 0.00 O ATOM 1422 CB GLN A 95 4.863 10.705 -7.554 1.00 0.00 C ATOM 1423 CG GLN A 95 5.195 9.421 -8.298 1.00 0.00 C ATOM 1424 CD GLN A 95 3.958 8.648 -8.708 1.00 0.00 C ATOM 1425 OE1 GLN A 95 4.155 7.425 -9.187 1.00 0.00 O flip ATOM 1426 NE2 GLN A 95 2.836 9.144 -8.597 1.00 0.00 N flip ATOM 0 H GLN A 95 4.947 11.138 -4.664 1.00 0.00 H new ATOM 0 HA GLN A 95 6.883 10.694 -6.822 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.903 10.586 -7.052 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.747 11.514 -8.276 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.780 9.661 -9.186 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.820 8.790 -7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.730 10.087 -8.224 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.013 8.611 -8.878 1.00 0.00 H new ATOM 1435 N ASN A 96 7.223 13.133 -6.785 1.00 0.00 N ATOM 1436 CA ASN A 96 7.468 14.571 -6.767 1.00 0.00 C ATOM 1437 C ASN A 96 7.946 15.058 -8.132 1.00 0.00 C ATOM 1438 O ASN A 96 8.038 14.282 -9.084 1.00 0.00 O ATOM 1439 CB ASN A 96 8.504 14.919 -5.697 1.00 0.00 C ATOM 1440 CG ASN A 96 9.920 14.603 -6.139 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.243 13.317 -6.215 1.00 0.00 O flip ATOM 1442 ND2 ASN A 96 10.714 15.505 -6.408 1.00 0.00 N flip ATOM 0 H ASN A 96 8.028 12.571 -7.062 1.00 0.00 H new ATOM 0 HA ASN A 96 6.529 15.072 -6.531 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.430 15.979 -5.455 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.279 14.367 -4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.422 16.480 -6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 96 11.663 15.277 -6.703 1.00 0.00 H new ATOM 1449 N LYS A 97 8.251 16.348 -8.220 1.00 0.00 N ATOM 1450 CA LYS A 97 8.723 16.940 -9.466 1.00 0.00 C ATOM 1451 C LYS A 97 9.573 15.948 -10.252 1.00 0.00 C ATOM 1452 O LYS A 97 9.543 15.928 -11.483 1.00 0.00 O ATOM 1453 CB LYS A 97 9.532 18.207 -9.179 1.00 0.00 C ATOM 1454 CG LYS A 97 10.877 17.935 -8.527 1.00 0.00 C ATOM 1455 CD LYS A 97 11.627 19.224 -8.238 1.00 0.00 C ATOM 1456 CE LYS A 97 13.073 18.952 -7.852 1.00 0.00 C ATOM 1457 NZ LYS A 97 13.902 20.189 -7.900 1.00 0.00 N ATOM 0 H LYS A 97 8.180 17.004 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 97 7.852 17.201 -10.067 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.693 18.745 -10.113 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.949 18.861 -8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.727 17.384 -7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.478 17.302 -9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.599 19.868 -9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.129 19.763 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.108 18.530 -6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.495 18.206 -8.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.880 19.962 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.890 20.578 -8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.515 20.892 -7.239 1.00 0.00 H new ATOM 1471 N HIS A 98 10.331 15.125 -9.534 1.00 0.00 N ATOM 1472 CA HIS A 98 11.188 14.129 -10.166 1.00 0.00 C ATOM 1473 C HIS A 98 10.355 13.046 -10.844 1.00 0.00 C ATOM 1474 O HIS A 98 10.287 12.978 -12.071 1.00 0.00 O ATOM 1475 CB HIS A 98 12.120 13.498 -9.131 1.00 0.00 C ATOM 1476 CG HIS A 98 13.041 14.480 -8.475 1.00 0.00 C ATOM 1477 ND1 HIS A 98 13.271 14.742 -7.167 1.00 0.00 N flip ATOM 1478 CD2 HIS A 98 13.857 15.336 -9.185 1.00 0.00 C flip ATOM 1479 CE1 HIS A 98 14.212 15.740 -7.111 1.00 0.00 C flip ATOM 1480 NE2 HIS A 98 14.550 16.080 -8.342 1.00 0.00 N flip ATOM 0 H HIS A 98 10.369 15.128 -8.515 1.00 0.00 H new ATOM 0 HA HIS A 98 11.787 14.631 -10.926 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.519 13.008 -8.365 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.714 12.723 -9.614 1.00 0.00 H new ATOM 0 HD2 HIS A 98 13.919 15.389 -10.262 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.611 16.176 -6.207 1.00 0.00 H new ATOM 0 HE2 HIS A 98 15.230 16.795 -8.598 1.00 0.00 H new ATOM 1489 N GLY A 99 9.721 12.201 -10.037 1.00 0.00 N ATOM 1490 CA GLY A 99 8.901 11.132 -10.577 1.00 0.00 C ATOM 1491 C GLY A 99 8.599 10.058 -9.552 1.00 0.00 C ATOM 1492 O GLY A 99 8.375 10.355 -8.379 1.00 0.00 O ATOM 0 H GLY A 99 9.761 12.238 -9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.965 11.549 -10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.410 10.683 -11.430 1.00 0.00 H new ATOM 1496 N SER A 100 8.592 8.804 -9.995 1.00 0.00 N ATOM 1497 CA SER A 100 8.309 7.682 -9.108 1.00 0.00 C ATOM 1498 C SER A 100 9.569 7.244 -8.367 1.00 0.00 C ATOM 1499 O SER A 100 10.529 6.774 -8.976 1.00 0.00 O ATOM 1500 CB SER A 100 7.738 6.507 -9.904 1.00 0.00 C ATOM 1501 OG SER A 100 8.570 6.184 -11.005 1.00 0.00 O ATOM 0 H SER A 100 8.779 8.540 -10.962 1.00 0.00 H new ATOM 0 HA SER A 100 7.571 8.008 -8.374 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.637 5.638 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.739 6.757 -10.260 1.00 0.00 H new ATOM 0 HG SER A 100 9.507 6.339 -10.763 1.00 0.00 H new ATOM 1507 N GLY A 101 9.558 7.404 -7.047 1.00 0.00 N ATOM 1508 CA GLY A 101 10.704 7.021 -6.244 1.00 0.00 C ATOM 1509 C GLY A 101 10.728 5.537 -5.938 1.00 0.00 C ATOM 1510 O GLY A 101 10.650 4.709 -6.845 1.00 0.00 O ATOM 0 H GLY A 101 8.776 7.792 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.619 7.295 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.692 7.581 -5.309 1.00 0.00 H new ATOM 1514 N GLU A 102 10.839 5.200 -4.657 1.00 0.00 N ATOM 1515 CA GLU A 102 10.876 3.804 -4.235 1.00 0.00 C ATOM 1516 C GLU A 102 9.482 3.313 -3.855 1.00 0.00 C ATOM 1517 O GLU A 102 8.636 4.093 -3.419 1.00 0.00 O ATOM 1518 CB GLU A 102 11.830 3.631 -3.052 1.00 0.00 C ATOM 1519 CG GLU A 102 12.152 2.180 -2.737 1.00 0.00 C ATOM 1520 CD GLU A 102 13.198 1.598 -3.668 1.00 0.00 C ATOM 1521 OE1 GLU A 102 13.365 2.138 -4.782 1.00 0.00 O ATOM 1522 OE2 GLU A 102 13.849 0.605 -3.283 1.00 0.00 O ATOM 0 H GLU A 102 10.905 5.874 -3.894 1.00 0.00 H new ATOM 0 HA GLU A 102 11.236 3.207 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.758 4.163 -3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.390 4.096 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.505 2.105 -1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.240 1.587 -2.805 1.00 0.00 H new ATOM 1529 N SER A 103 9.251 2.015 -4.026 1.00 0.00 N ATOM 1530 CA SER A 103 7.959 1.420 -3.705 1.00 0.00 C ATOM 1531 C SER A 103 7.977 0.803 -2.310 1.00 0.00 C ATOM 1532 O SER A 103 8.733 -0.130 -2.041 1.00 0.00 O ATOM 1533 CB SER A 103 7.593 0.355 -4.741 1.00 0.00 C ATOM 1534 OG SER A 103 8.537 -0.701 -4.742 1.00 0.00 O ATOM 0 H SER A 103 9.942 1.356 -4.385 1.00 0.00 H new ATOM 0 HA SER A 103 7.208 2.210 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.600 -0.041 -4.525 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.548 0.807 -5.732 1.00 0.00 H new ATOM 0 HG SER A 103 8.877 -0.837 -3.833 1.00 0.00 H new ATOM 1540 N SER A 104 7.137 1.332 -1.425 1.00 0.00 N ATOM 1541 CA SER A 104 7.058 0.837 -0.056 1.00 0.00 C ATOM 1542 C SER A 104 6.981 -0.687 -0.033 1.00 0.00 C ATOM 1543 O SER A 104 6.881 -1.330 -1.077 1.00 0.00 O ATOM 1544 CB SER A 104 5.840 1.431 0.654 1.00 0.00 C ATOM 1545 OG SER A 104 4.670 0.682 0.373 1.00 0.00 O ATOM 0 H SER A 104 6.502 2.103 -1.632 1.00 0.00 H new ATOM 0 HA SER A 104 7.962 1.146 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.015 1.448 1.730 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.699 2.464 0.337 1.00 0.00 H new ATOM 0 HG SER A 104 4.298 0.330 1.209 1.00 0.00 H new ATOM 1551 N ALA A 105 7.029 -1.257 1.167 1.00 0.00 N ATOM 1552 CA ALA A 105 6.963 -2.704 1.328 1.00 0.00 C ATOM 1553 C ALA A 105 5.611 -3.246 0.874 1.00 0.00 C ATOM 1554 O ALA A 105 4.580 -2.582 0.987 1.00 0.00 O ATOM 1555 CB ALA A 105 7.228 -3.087 2.776 1.00 0.00 C ATOM 0 H ALA A 105 7.113 -0.739 2.041 1.00 0.00 H new ATOM 0 HA ALA A 105 7.734 -3.150 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.175 -4.171 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.220 -2.742 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.479 -2.623 3.418 1.00 0.00 H new ATOM 1561 N PRO A 106 5.613 -4.480 0.349 1.00 0.00 N ATOM 1562 CA PRO A 106 4.395 -5.137 -0.132 1.00 0.00 C ATOM 1563 C PRO A 106 3.454 -5.518 1.005 1.00 0.00 C ATOM 1564 O PRO A 106 3.741 -6.427 1.785 1.00 0.00 O ATOM 1565 CB PRO A 106 4.922 -6.393 -0.832 1.00 0.00 C ATOM 1566 CG PRO A 106 6.231 -6.670 -0.178 1.00 0.00 C ATOM 1567 CD PRO A 106 6.806 -5.328 0.184 1.00 0.00 C ATOM 0 HA PRO A 106 3.809 -4.485 -0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.235 -7.231 -0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.041 -6.229 -1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 106 6.101 -7.291 0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.897 -7.211 -0.851 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.394 -5.377 1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.464 -4.948 -0.598 1.00 0.00 H new ATOM 1575 N LEU A 107 2.328 -4.817 1.095 1.00 0.00 N ATOM 1576 CA LEU A 107 1.343 -5.082 2.138 1.00 0.00 C ATOM 1577 C LEU A 107 0.313 -6.103 1.667 1.00 0.00 C ATOM 1578 O LEU A 107 -0.372 -5.892 0.665 1.00 0.00 O ATOM 1579 CB LEU A 107 0.643 -3.785 2.546 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.475 -3.923 3.580 1.00 0.00 C ATOM 1581 CD1 LEU A 107 0.089 -4.368 4.921 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.230 -2.610 3.727 1.00 0.00 C ATOM 0 H LEU A 107 2.075 -4.061 0.458 1.00 0.00 H new ATOM 0 HA LEU A 107 1.866 -5.493 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.393 -3.099 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.228 -3.322 1.651 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.173 -4.684 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.722 -4.461 5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.584 -5.332 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.809 -3.630 5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.022 -2.727 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.542 -1.829 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.667 -2.332 2.768 1.00 0.00 H new ATOM 1594 N ARG A 108 0.206 -7.208 2.397 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.742 -8.262 2.054 1.00 0.00 C ATOM 1596 C ARG A 108 -2.106 -7.990 2.681 1.00 0.00 C ATOM 1597 O ARG A 108 -2.262 -8.043 3.902 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.216 -9.621 2.520 1.00 0.00 C ATOM 1599 CG ARG A 108 -1.121 -10.784 2.146 1.00 0.00 C ATOM 1600 CD ARG A 108 -2.445 -10.721 2.891 1.00 0.00 C ATOM 1601 NE ARG A 108 -3.009 -12.049 3.118 1.00 0.00 N ATOM 1602 CZ ARG A 108 -2.613 -12.858 4.094 1.00 0.00 C ATOM 1603 NH1 ARG A 108 -1.655 -12.478 4.928 1.00 0.00 N ATOM 1604 NH2 ARG A 108 -3.174 -14.052 4.236 1.00 0.00 N ATOM 0 H ARG A 108 0.764 -7.397 3.230 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.856 -8.276 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.771 -9.786 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.092 -9.602 3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.306 -10.772 1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.619 -11.725 2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.299 -10.221 3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.153 -10.119 2.322 1.00 0.00 H new ATOM 0 HE ARG A 108 -3.747 -12.373 2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.220 -11.562 4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.353 -13.102 5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.910 -14.349 3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.869 -14.673 4.986 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.092 -7.699 1.838 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.443 -7.420 2.309 1.00 0.00 C ATOM 1620 C VAL A 109 -5.456 -8.353 1.656 1.00 0.00 C ATOM 1621 O VAL A 109 -5.559 -8.414 0.432 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.846 -5.961 2.024 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.253 -5.686 2.534 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.846 -5.000 2.649 1.00 0.00 C ATOM 0 H VAL A 109 -2.980 -7.650 0.825 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.444 -7.585 3.386 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.839 -5.805 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.520 -4.650 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.958 -6.351 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.291 -5.859 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.147 -3.974 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.818 -5.155 3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.856 -5.182 2.230 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.204 -9.078 2.483 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.209 -10.009 1.985 1.00 0.00 C ATOM 1636 C GLU A 110 -8.616 -9.463 2.213 1.00 0.00 C ATOM 1637 O GLU A 110 -9.020 -9.209 3.348 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.061 -11.369 2.669 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.038 -12.416 2.162 1.00 0.00 C ATOM 1640 CD GLU A 110 -8.041 -13.672 3.011 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -6.990 -14.343 3.080 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -9.093 -13.985 3.606 1.00 0.00 O ATOM 0 H GLU A 110 -6.133 -9.038 3.500 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.054 -10.132 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.044 -11.732 2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.201 -11.243 3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.042 -11.992 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.784 -12.677 1.135 1.00 0.00 H new ATOM 1649 N THR A 111 -9.359 -9.284 1.125 1.00 0.00 N ATOM 1650 CA THR A 111 -10.719 -8.768 1.205 1.00 0.00 C ATOM 1651 C THR A 111 -11.622 -9.715 1.986 1.00 0.00 C ATOM 1652 O THR A 111 -11.174 -10.751 2.475 1.00 0.00 O ATOM 1653 CB THR A 111 -11.319 -8.545 -0.197 1.00 0.00 C ATOM 1654 OG1 THR A 111 -10.889 -9.583 -1.084 1.00 0.00 O ATOM 1655 CG2 THR A 111 -10.904 -7.191 -0.754 1.00 0.00 C ATOM 0 H THR A 111 -9.041 -9.489 0.178 1.00 0.00 H new ATOM 0 HA THR A 111 -10.663 -7.812 1.725 1.00 0.00 H new ATOM 0 HB THR A 111 -12.405 -8.568 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.978 -9.279 -2.011 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.339 -7.056 -1.744 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.258 -6.401 -0.091 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.817 -7.145 -0.826 1.00 0.00 H new ATOM 1663 N GLN A 112 -12.896 -9.352 2.100 1.00 0.00 N ATOM 1664 CA GLN A 112 -13.862 -10.171 2.823 1.00 0.00 C ATOM 1665 C GLN A 112 -14.852 -10.821 1.862 1.00 0.00 C ATOM 1666 O GLN A 112 -15.258 -10.233 0.859 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.612 -9.323 3.851 1.00 0.00 C ATOM 1668 CG GLN A 112 -13.811 -8.137 4.364 1.00 0.00 C ATOM 1669 CD GLN A 112 -14.382 -7.555 5.642 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -15.377 -8.050 6.172 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -13.755 -6.498 6.144 1.00 0.00 N ATOM 0 H GLN A 112 -13.283 -8.497 1.701 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.317 -10.960 3.341 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.537 -8.960 3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -14.892 -9.954 4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.781 -8.448 4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -13.784 -7.363 3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.934 -6.120 5.672 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.095 -6.064 7.002 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.250 -12.063 2.173 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.197 -12.820 1.350 1.00 0.00 C ATOM 1682 C PRO A 113 -17.609 -12.246 1.414 1.00 0.00 C ATOM 1683 O PRO A 113 -18.273 -12.323 2.447 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.161 -14.221 1.965 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.738 -14.004 3.376 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.806 -12.825 3.353 1.00 0.00 C ATOM 0 HA PRO A 113 -15.928 -12.796 0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.138 -14.701 1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.460 -14.868 1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.599 -13.808 4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.239 -14.888 3.774 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.883 -12.234 4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.766 -13.137 3.262 1.00 0.00 H new ATOM 1694 N GLU A 114 -18.060 -11.672 0.304 1.00 0.00 N ATOM 1695 CA GLU A 114 -19.394 -11.085 0.236 1.00 0.00 C ATOM 1696 C GLU A 114 -20.377 -12.045 -0.427 1.00 0.00 C ATOM 1697 O GLU A 114 -21.312 -11.621 -1.108 1.00 0.00 O ATOM 1698 CB GLU A 114 -19.355 -9.764 -0.535 1.00 0.00 C ATOM 1699 CG GLU A 114 -18.613 -9.853 -1.858 1.00 0.00 C ATOM 1700 CD GLU A 114 -18.600 -8.536 -2.610 1.00 0.00 C ATOM 1701 OE1 GLU A 114 -19.647 -7.855 -2.633 1.00 0.00 O ATOM 1702 OE2 GLU A 114 -17.543 -8.186 -3.174 1.00 0.00 O ATOM 0 H GLU A 114 -17.523 -11.600 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.731 -10.893 1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -20.376 -9.432 -0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.882 -9.004 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.587 -10.172 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -19.078 -10.618 -2.480 1.00 0.00 H new ATOM 1709 N SER A 115 -20.160 -13.340 -0.223 1.00 0.00 N ATOM 1710 CA SER A 115 -21.024 -14.361 -0.804 1.00 0.00 C ATOM 1711 C SER A 115 -21.752 -15.141 0.286 1.00 0.00 C ATOM 1712 O SER A 115 -21.406 -15.054 1.463 1.00 0.00 O ATOM 1713 CB SER A 115 -20.205 -15.318 -1.673 1.00 0.00 C ATOM 1714 OG SER A 115 -19.163 -15.920 -0.925 1.00 0.00 O ATOM 0 H SER A 115 -19.393 -13.707 0.340 1.00 0.00 H new ATOM 0 HA SER A 115 -21.767 -13.862 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 115 -20.856 -16.090 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 115 -19.783 -14.775 -2.519 1.00 0.00 H new ATOM 0 HG SER A 115 -18.655 -16.528 -1.502 1.00 0.00 H new ATOM 1720 N GLY A 116 -22.763 -15.905 -0.116 1.00 0.00 N ATOM 1721 CA GLY A 116 -23.525 -16.690 0.838 1.00 0.00 C ATOM 1722 C GLY A 116 -22.644 -17.352 1.878 1.00 0.00 C ATOM 1723 O GLY A 116 -21.604 -17.931 1.565 1.00 0.00 O ATOM 0 H GLY A 116 -23.068 -15.994 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -24.250 -16.047 1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -24.091 -17.455 0.305 1.00 0.00 H new ATOM 1727 N PRO A 117 -23.060 -17.268 3.151 1.00 0.00 N ATOM 1728 CA PRO A 117 -22.315 -17.858 4.267 1.00 0.00 C ATOM 1729 C PRO A 117 -22.356 -19.382 4.251 1.00 0.00 C ATOM 1730 O PRO A 117 -23.248 -19.982 3.652 1.00 0.00 O ATOM 1731 CB PRO A 117 -23.040 -17.317 5.502 1.00 0.00 C ATOM 1732 CG PRO A 117 -24.423 -17.024 5.032 1.00 0.00 C ATOM 1733 CD PRO A 117 -24.290 -16.593 3.598 1.00 0.00 C ATOM 0 HA PRO A 117 -21.256 -17.602 4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -23.043 -18.048 6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -22.554 -16.420 5.885 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -25.059 -17.905 5.117 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -24.882 -16.240 5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -25.153 -16.897 3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -24.208 -15.510 3.510 1.00 0.00 H new ATOM 1741 N SER A 118 -21.384 -20.002 4.913 1.00 0.00 N ATOM 1742 CA SER A 118 -21.308 -21.457 4.972 1.00 0.00 C ATOM 1743 C SER A 118 -20.990 -21.928 6.388 1.00 0.00 C ATOM 1744 O SER A 118 -20.725 -21.120 7.278 1.00 0.00 O ATOM 1745 CB SER A 118 -20.244 -21.973 4.001 1.00 0.00 C ATOM 1746 OG SER A 118 -20.572 -21.642 2.662 1.00 0.00 O ATOM 0 H SER A 118 -20.639 -19.520 5.416 1.00 0.00 H new ATOM 0 HA SER A 118 -22.279 -21.858 4.683 1.00 0.00 H new ATOM 0 HB2 SER A 118 -19.275 -21.545 4.258 1.00 0.00 H new ATOM 0 HB3 SER A 118 -20.151 -23.055 4.099 1.00 0.00 H new ATOM 0 HG SER A 118 -19.876 -21.981 2.061 1.00 0.00 H new ATOM 1752 N SER A 119 -21.020 -23.242 6.589 1.00 0.00 N ATOM 1753 CA SER A 119 -20.739 -23.821 7.897 1.00 0.00 C ATOM 1754 C SER A 119 -19.759 -24.984 7.777 1.00 0.00 C ATOM 1755 O SER A 119 -19.988 -25.929 7.024 1.00 0.00 O ATOM 1756 CB SER A 119 -22.035 -24.298 8.556 1.00 0.00 C ATOM 1757 OG SER A 119 -21.769 -24.986 9.766 1.00 0.00 O ATOM 0 H SER A 119 -21.236 -23.925 5.863 1.00 0.00 H new ATOM 0 HA SER A 119 -20.286 -23.049 8.519 1.00 0.00 H new ATOM 0 HB2 SER A 119 -22.682 -23.443 8.755 1.00 0.00 H new ATOM 0 HB3 SER A 119 -22.574 -24.954 7.872 1.00 0.00 H new ATOM 0 HG SER A 119 -22.613 -25.279 10.168 1.00 0.00 H new ATOM 1763 N GLY A 120 -18.663 -24.906 8.527 1.00 0.00 N ATOM 1764 CA GLY A 120 -17.663 -25.957 8.490 1.00 0.00 C ATOM 1765 C GLY A 120 -17.369 -26.525 9.864 1.00 0.00 C ATOM 1766 O GLY A 120 -16.338 -26.219 10.462 1.00 0.00 O ATOM 0 H GLY A 120 -18.450 -24.134 9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -18.006 -26.758 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -16.743 -25.564 8.058 1.00 0.00 H new TER 1770 GLY A 120