USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 864 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 94 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 110 LYS NZ :NH3+ 180:sc= 0.565 (180deg=0.565) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 43:sc= 1.26 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -1.14 F(o=-2.3,f=-1.1) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0256) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0898 K(o=-0.09,f=-0.9) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0249 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.00112 USER MOD Single : A 46 SER OG : rot -60:sc= 0.27 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 30:sc= 0.957 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -4.54! C(o=-4.5!,f=-6.1!) USER MOD Single : A 66 TYR OH : rot -30:sc= -0.892 USER MOD Single : A 67 ASN :FLIP amide:sc= 0.731 F(o=-0.91,f=0.73) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0343 X(o=-0.034,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0164 X(o=-0.016,f=-0.4) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot -119:sc= 0.352 USER MOD Single : A 90 CYS SG : rot -9:sc= -0.593 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -136:sc= -0.203 (180deg=-1.81!) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -1.63 F(o=-2.3,f=-1.6) USER MOD Single : A 102 LYS NZ :NH3+ 152:sc= -0.132 (180deg=-0.67) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.394 X(o=0.39,f=-0.08) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.648 12.199 21.648 1.00 0.00 N ATOM 2 CA GLY A 1 18.710 12.566 20.245 1.00 0.00 C ATOM 3 C GLY A 1 20.082 13.064 19.837 1.00 0.00 C ATOM 4 O GLY A 1 20.690 13.873 20.538 1.00 0.00 O ATOM 0 H1 GLY A 1 17.690 11.865 21.877 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.334 11.441 21.839 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.875 13.028 22.234 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.444 11.703 19.635 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.970 13.341 20.042 1.00 0.00 H new ATOM 8 N SER A 2 20.572 12.580 18.700 1.00 0.00 N ATOM 9 CA SER A 2 21.883 12.978 18.202 1.00 0.00 C ATOM 10 C SER A 2 21.855 13.168 16.688 1.00 0.00 C ATOM 11 O SER A 2 21.083 12.517 15.984 1.00 0.00 O ATOM 12 CB SER A 2 22.933 11.930 18.576 1.00 0.00 C ATOM 13 OG SER A 2 22.991 11.745 19.980 1.00 0.00 O ATOM 0 H SER A 2 20.081 11.912 18.107 1.00 0.00 H new ATOM 0 HA SER A 2 22.147 13.929 18.665 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.695 10.983 18.091 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.910 12.241 18.206 1.00 0.00 H new ATOM 0 HG SER A 2 23.668 11.069 20.193 1.00 0.00 H new ATOM 19 N SER A 3 22.702 14.065 16.195 1.00 0.00 N ATOM 20 CA SER A 3 22.773 14.344 14.766 1.00 0.00 C ATOM 21 C SER A 3 23.565 13.262 14.039 1.00 0.00 C ATOM 22 O SER A 3 24.123 12.360 14.663 1.00 0.00 O ATOM 23 CB SER A 3 23.415 15.712 14.523 1.00 0.00 C ATOM 24 OG SER A 3 22.454 16.749 14.613 1.00 0.00 O ATOM 0 H SER A 3 23.349 14.611 16.764 1.00 0.00 H new ATOM 0 HA SER A 3 21.757 14.352 14.372 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.206 15.881 15.253 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.881 15.729 13.538 1.00 0.00 H new ATOM 0 HG SER A 3 22.889 17.613 14.456 1.00 0.00 H new ATOM 30 N GLY A 4 23.609 13.359 12.713 1.00 0.00 N ATOM 31 CA GLY A 4 24.335 12.383 11.922 1.00 0.00 C ATOM 32 C GLY A 4 24.137 12.581 10.432 1.00 0.00 C ATOM 33 O GLY A 4 23.332 11.890 9.808 1.00 0.00 O ATOM 0 H GLY A 4 23.155 14.096 12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.398 12.448 12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.009 11.380 12.199 1.00 0.00 H new ATOM 37 N SER A 5 24.873 13.530 9.861 1.00 0.00 N ATOM 38 CA SER A 5 24.770 13.821 8.436 1.00 0.00 C ATOM 39 C SER A 5 25.812 14.854 8.016 1.00 0.00 C ATOM 40 O SER A 5 26.261 15.664 8.828 1.00 0.00 O ATOM 41 CB SER A 5 23.368 14.329 8.097 1.00 0.00 C ATOM 42 OG SER A 5 22.504 13.257 7.761 1.00 0.00 O ATOM 0 H SER A 5 25.546 14.109 10.363 1.00 0.00 H new ATOM 0 HA SER A 5 24.956 12.897 7.888 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.960 14.876 8.947 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.423 15.030 7.264 1.00 0.00 H new ATOM 0 HG SER A 5 22.644 12.515 8.386 1.00 0.00 H new ATOM 48 N SER A 6 26.192 14.819 6.743 1.00 0.00 N ATOM 49 CA SER A 6 27.184 15.748 6.215 1.00 0.00 C ATOM 50 C SER A 6 26.677 16.420 4.943 1.00 0.00 C ATOM 51 O SER A 6 26.895 15.926 3.837 1.00 0.00 O ATOM 52 CB SER A 6 28.498 15.018 5.931 1.00 0.00 C ATOM 53 OG SER A 6 29.137 14.631 7.135 1.00 0.00 O ATOM 0 H SER A 6 25.828 14.157 6.058 1.00 0.00 H new ATOM 0 HA SER A 6 27.360 16.518 6.966 1.00 0.00 H new ATOM 0 HB2 SER A 6 28.303 14.137 5.320 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.160 15.665 5.356 1.00 0.00 H new ATOM 0 HG SER A 6 29.973 14.165 6.926 1.00 0.00 H new ATOM 59 N GLY A 7 25.997 17.550 5.108 1.00 0.00 N ATOM 60 CA GLY A 7 25.468 18.272 3.965 1.00 0.00 C ATOM 61 C GLY A 7 24.309 17.548 3.308 1.00 0.00 C ATOM 62 O GLY A 7 24.220 16.322 3.370 1.00 0.00 O ATOM 0 H GLY A 7 25.803 17.979 6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 7 25.140 19.261 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.262 18.420 3.233 1.00 0.00 H new ATOM 66 N ARG A 8 23.419 18.308 2.679 1.00 0.00 N ATOM 67 CA ARG A 8 22.259 17.732 2.010 1.00 0.00 C ATOM 68 C ARG A 8 22.425 17.781 0.494 1.00 0.00 C ATOM 69 O ARG A 8 21.453 17.956 -0.242 1.00 0.00 O ATOM 70 CB ARG A 8 20.986 18.476 2.419 1.00 0.00 C ATOM 71 CG ARG A 8 20.551 18.198 3.848 1.00 0.00 C ATOM 72 CD ARG A 8 19.571 19.249 4.347 1.00 0.00 C ATOM 73 NE ARG A 8 18.223 19.030 3.829 1.00 0.00 N ATOM 74 CZ ARG A 8 17.200 19.840 4.077 1.00 0.00 C ATOM 75 NH1 ARG A 8 17.371 20.917 4.831 1.00 0.00 N ATOM 76 NH2 ARG A 8 16.004 19.574 3.570 1.00 0.00 N ATOM 0 H ARG A 8 23.479 19.324 2.619 1.00 0.00 H new ATOM 0 HA ARG A 8 22.176 16.689 2.315 1.00 0.00 H new ATOM 0 HB2 ARG A 8 21.147 19.547 2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.179 18.197 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 8 20.089 17.212 3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 8 21.426 18.177 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 8 19.547 19.234 5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 8 19.918 20.238 4.049 1.00 0.00 H new ATOM 0 HE ARG A 8 18.058 18.210 3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 8 18.290 21.125 5.222 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.584 21.537 5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.869 18.747 2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.219 20.197 3.761 1.00 0.00 H new ATOM 90 N LEU A 9 23.662 17.625 0.034 1.00 0.00 N ATOM 91 CA LEU A 9 23.956 17.652 -1.394 1.00 0.00 C ATOM 92 C LEU A 9 24.409 16.281 -1.883 1.00 0.00 C ATOM 93 O LEU A 9 25.385 16.165 -2.625 1.00 0.00 O ATOM 94 CB LEU A 9 25.034 18.695 -1.693 1.00 0.00 C ATOM 95 CG LEU A 9 26.087 18.903 -0.604 1.00 0.00 C ATOM 96 CD1 LEU A 9 27.390 19.401 -1.210 1.00 0.00 C ATOM 97 CD2 LEU A 9 25.580 19.877 0.449 1.00 0.00 C ATOM 0 H LEU A 9 24.477 17.479 0.630 1.00 0.00 H new ATOM 0 HA LEU A 9 23.042 17.921 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 9 25.543 18.408 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 9 24.544 19.650 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 9 26.277 17.944 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 9 28.128 19.543 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 9 27.762 18.668 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 9 27.216 20.349 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 9 26.342 20.013 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 9 25.361 20.837 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 9 24.673 19.480 0.905 1.00 0.00 H new ATOM 109 N LEU A 10 23.694 15.243 -1.464 1.00 0.00 N ATOM 110 CA LEU A 10 24.021 13.878 -1.860 1.00 0.00 C ATOM 111 C LEU A 10 23.392 13.536 -3.207 1.00 0.00 C ATOM 112 O LEU A 10 22.601 14.310 -3.748 1.00 0.00 O ATOM 113 CB LEU A 10 23.544 12.888 -0.796 1.00 0.00 C ATOM 114 CG LEU A 10 24.450 12.726 0.425 1.00 0.00 C ATOM 115 CD1 LEU A 10 24.109 13.763 1.484 1.00 0.00 C ATOM 116 CD2 LEU A 10 24.331 11.320 0.994 1.00 0.00 C ATOM 0 H LEU A 10 22.883 15.321 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 10 25.104 13.804 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 10 22.558 13.202 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 10 23.423 11.912 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 10 25.482 12.883 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 10 24.764 13.632 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 10 24.247 14.763 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 10 23.072 13.638 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.983 11.223 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.299 11.134 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.626 10.595 0.236 1.00 0.00 H new ATOM 128 N ASP A 11 23.746 12.373 -3.742 1.00 0.00 N ATOM 129 CA ASP A 11 23.213 11.927 -5.024 1.00 0.00 C ATOM 130 C ASP A 11 21.843 11.280 -4.848 1.00 0.00 C ATOM 131 O ASP A 11 20.815 11.882 -5.165 1.00 0.00 O ATOM 132 CB ASP A 11 24.176 10.939 -5.684 1.00 0.00 C ATOM 133 CG ASP A 11 23.693 10.483 -7.047 1.00 0.00 C ATOM 134 OD1 ASP A 11 23.349 11.351 -7.876 1.00 0.00 O ATOM 135 OD2 ASP A 11 23.659 9.258 -7.285 1.00 0.00 O ATOM 0 H ASP A 11 24.400 11.722 -3.308 1.00 0.00 H new ATOM 0 HA ASP A 11 23.102 12.800 -5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 11 25.156 11.405 -5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 11 24.301 10.071 -5.037 1.00 0.00 H new ATOM 140 N LEU A 12 21.834 10.052 -4.342 1.00 0.00 N ATOM 141 CA LEU A 12 20.590 9.323 -4.125 1.00 0.00 C ATOM 142 C LEU A 12 19.583 9.623 -5.230 1.00 0.00 C ATOM 143 O LEU A 12 18.441 9.994 -4.958 1.00 0.00 O ATOM 144 CB LEU A 12 19.994 9.686 -2.764 1.00 0.00 C ATOM 145 CG LEU A 12 19.148 8.604 -2.091 1.00 0.00 C ATOM 146 CD1 LEU A 12 19.176 8.768 -0.579 1.00 0.00 C ATOM 147 CD2 LEU A 12 17.718 8.647 -2.608 1.00 0.00 C ATOM 0 H LEU A 12 22.675 9.540 -4.074 1.00 0.00 H new ATOM 0 HA LEU A 12 20.815 8.257 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 12 20.810 9.952 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.378 10.577 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 12 19.573 7.631 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.569 7.990 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 12 20.203 8.686 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 12 18.776 9.746 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.131 7.870 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 12 17.282 9.622 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.715 8.479 -3.685 1.00 0.00 H new ATOM 159 N GLU A 13 20.013 9.457 -6.477 1.00 0.00 N ATOM 160 CA GLU A 13 19.147 9.710 -7.623 1.00 0.00 C ATOM 161 C GLU A 13 18.589 8.404 -8.181 1.00 0.00 C ATOM 162 O GLU A 13 18.541 8.205 -9.394 1.00 0.00 O ATOM 163 CB GLU A 13 19.915 10.457 -8.716 1.00 0.00 C ATOM 164 CG GLU A 13 21.075 9.665 -9.295 1.00 0.00 C ATOM 165 CD GLU A 13 21.396 10.061 -10.723 1.00 0.00 C ATOM 166 OE1 GLU A 13 21.292 11.263 -11.043 1.00 0.00 O ATOM 167 OE2 GLU A 13 21.753 9.167 -11.520 1.00 0.00 O ATOM 0 H GLU A 13 20.955 9.149 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 13 18.314 10.328 -7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 13 19.226 10.716 -9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 13 20.294 11.393 -8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.958 9.814 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 13 20.837 8.602 -9.261 1.00 0.00 H new ATOM 174 N ASN A 14 18.167 7.516 -7.285 1.00 0.00 N ATOM 175 CA ASN A 14 17.613 6.229 -7.687 1.00 0.00 C ATOM 176 C ASN A 14 16.177 6.077 -7.195 1.00 0.00 C ATOM 177 O ASN A 14 15.248 5.941 -7.992 1.00 0.00 O ATOM 178 CB ASN A 14 18.474 5.087 -7.143 1.00 0.00 C ATOM 179 CG ASN A 14 19.697 4.826 -8.000 1.00 0.00 C ATOM 180 OD1 ASN A 14 20.510 5.856 -8.201 1.00 0.00 O flip ATOM 181 ND2 ASN A 14 19.909 3.710 -8.476 1.00 0.00 N flip ATOM 0 H ASN A 14 18.199 7.665 -6.276 1.00 0.00 H new ATOM 0 HA ASN A 14 17.611 6.187 -8.776 1.00 0.00 H new ATOM 0 HB2 ASN A 14 18.790 5.326 -6.127 1.00 0.00 H new ATOM 0 HB3 ASN A 14 17.874 4.179 -7.085 1.00 0.00 H new ATOM 0 HD21 ASN A 14 19.257 2.946 -8.296 1.00 0.00 H new ATOM 0 HD22 ASN A 14 20.736 3.549 -9.050 1.00 0.00 H new ATOM 188 N ILE A 15 16.003 6.103 -5.878 1.00 0.00 N ATOM 189 CA ILE A 15 14.680 5.970 -5.280 1.00 0.00 C ATOM 190 C ILE A 15 13.876 7.256 -5.435 1.00 0.00 C ATOM 191 O ILE A 15 14.431 8.354 -5.402 1.00 0.00 O ATOM 192 CB ILE A 15 14.772 5.611 -3.785 1.00 0.00 C ATOM 193 CG1 ILE A 15 15.124 4.132 -3.614 1.00 0.00 C ATOM 194 CG2 ILE A 15 13.462 5.934 -3.082 1.00 0.00 C ATOM 195 CD1 ILE A 15 15.926 3.843 -2.364 1.00 0.00 C ATOM 0 H ILE A 15 16.761 6.215 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 15 14.174 5.162 -5.808 1.00 0.00 H new ATOM 0 HB ILE A 15 15.563 6.208 -3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 15 14.204 3.548 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 15 15.689 3.798 -4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.542 5.675 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.250 6.999 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.654 5.360 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 15 16.140 2.776 -2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 15 16.863 4.399 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 15 15.354 4.145 -1.487 1.00 0.00 H new ATOM 207 N GLN A 16 12.565 7.111 -5.601 1.00 0.00 N ATOM 208 CA GLN A 16 11.684 8.262 -5.759 1.00 0.00 C ATOM 209 C GLN A 16 10.542 8.216 -4.748 1.00 0.00 C ATOM 210 O GLN A 16 9.371 8.303 -5.117 1.00 0.00 O ATOM 211 CB GLN A 16 11.121 8.308 -7.181 1.00 0.00 C ATOM 212 CG GLN A 16 10.358 7.053 -7.574 1.00 0.00 C ATOM 213 CD GLN A 16 11.276 5.891 -7.899 1.00 0.00 C ATOM 214 OE1 GLN A 16 11.249 4.862 -7.060 1.00 0.00 O flip ATOM 215 NE2 GLN A 16 12.002 5.917 -8.894 1.00 0.00 N flip ATOM 0 H GLN A 16 12.090 6.209 -5.630 1.00 0.00 H new ATOM 0 HA GLN A 16 12.269 9.164 -5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.459 9.169 -7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.941 8.459 -7.883 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.691 6.768 -6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.731 7.269 -8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.991 6.728 -9.512 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.614 5.127 -9.100 1.00 0.00 H new ATOM 224 N ILE A 17 10.892 8.080 -3.474 1.00 0.00 N ATOM 225 CA ILE A 17 9.897 8.023 -2.411 1.00 0.00 C ATOM 226 C ILE A 17 9.872 9.322 -1.612 1.00 0.00 C ATOM 227 O ILE A 17 10.909 9.906 -1.297 1.00 0.00 O ATOM 228 CB ILE A 17 10.164 6.849 -1.451 1.00 0.00 C ATOM 229 CG1 ILE A 17 10.104 5.520 -2.208 1.00 0.00 C ATOM 230 CG2 ILE A 17 9.159 6.859 -0.309 1.00 0.00 C ATOM 231 CD1 ILE A 17 10.467 4.323 -1.357 1.00 0.00 C ATOM 0 H ILE A 17 11.857 8.007 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 17 8.930 7.875 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 17 11.163 6.963 -1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.098 5.382 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.780 5.567 -3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.361 6.023 0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.245 7.795 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.150 6.766 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.403 3.416 -1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.484 4.438 -0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.776 4.251 -0.517 1.00 0.00 H new ATOM 243 N PRO A 18 8.660 9.786 -1.274 1.00 0.00 N ATOM 244 CA PRO A 18 8.470 11.019 -0.505 1.00 0.00 C ATOM 245 C PRO A 18 8.927 10.876 0.943 1.00 0.00 C ATOM 246 O PRO A 18 9.469 9.841 1.333 1.00 0.00 O ATOM 247 CB PRO A 18 6.958 11.247 -0.568 1.00 0.00 C ATOM 248 CG PRO A 18 6.378 9.892 -0.783 1.00 0.00 C ATOM 249 CD PRO A 18 7.381 9.141 -1.615 1.00 0.00 C ATOM 0 HA PRO A 18 9.057 11.845 -0.908 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.587 11.695 0.354 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.693 11.924 -1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.202 9.387 0.167 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.417 9.955 -1.293 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.390 8.079 -1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.161 9.222 -2.680 1.00 0.00 H new ATOM 257 N ASP A 19 8.704 11.919 1.735 1.00 0.00 N ATOM 258 CA ASP A 19 9.092 11.908 3.141 1.00 0.00 C ATOM 259 C ASP A 19 8.094 11.109 3.973 1.00 0.00 C ATOM 260 O ASP A 19 8.481 10.316 4.831 1.00 0.00 O ATOM 261 CB ASP A 19 9.192 13.338 3.675 1.00 0.00 C ATOM 262 CG ASP A 19 10.373 14.091 3.095 1.00 0.00 C ATOM 263 OD1 ASP A 19 11.524 13.692 3.369 1.00 0.00 O ATOM 264 OD2 ASP A 19 10.145 15.080 2.367 1.00 0.00 O ATOM 0 H ASP A 19 8.257 12.783 1.428 1.00 0.00 H new ATOM 0 HA ASP A 19 10.068 11.430 3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.272 13.875 3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.279 13.312 4.761 1.00 0.00 H new ATOM 269 N ALA A 20 6.809 11.325 3.715 1.00 0.00 N ATOM 270 CA ALA A 20 5.756 10.625 4.440 1.00 0.00 C ATOM 271 C ALA A 20 4.732 10.027 3.480 1.00 0.00 C ATOM 272 O ALA A 20 4.711 10.334 2.288 1.00 0.00 O ATOM 273 CB ALA A 20 5.074 11.566 5.422 1.00 0.00 C ATOM 0 H ALA A 20 6.472 11.979 3.009 1.00 0.00 H new ATOM 0 HA ALA A 20 6.215 9.808 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.290 11.029 5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.808 11.941 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.635 12.403 4.879 1.00 0.00 H new ATOM 279 N PRO A 21 3.864 9.153 4.009 1.00 0.00 N ATOM 280 CA PRO A 21 2.822 8.494 3.216 1.00 0.00 C ATOM 281 C PRO A 21 1.729 9.462 2.776 1.00 0.00 C ATOM 282 O PRO A 21 1.139 10.179 3.584 1.00 0.00 O ATOM 283 CB PRO A 21 2.253 7.447 4.178 1.00 0.00 C ATOM 284 CG PRO A 21 2.534 7.989 5.537 1.00 0.00 C ATOM 285 CD PRO A 21 3.831 8.740 5.423 1.00 0.00 C ATOM 0 HA PRO A 21 3.218 8.073 2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.184 7.305 4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.728 6.477 4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.730 8.646 5.869 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.611 7.185 6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.858 9.599 6.093 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.684 8.110 5.678 1.00 0.00 H new ATOM 293 N PRO A 22 1.452 9.485 1.463 1.00 0.00 N ATOM 294 CA PRO A 22 0.428 10.361 0.886 1.00 0.00 C ATOM 295 C PRO A 22 -0.984 9.938 1.277 1.00 0.00 C ATOM 296 O PRO A 22 -1.207 8.852 1.814 1.00 0.00 O ATOM 297 CB PRO A 22 0.635 10.202 -0.622 1.00 0.00 C ATOM 298 CG PRO A 22 1.264 8.861 -0.780 1.00 0.00 C ATOM 299 CD PRO A 22 2.116 8.657 0.443 1.00 0.00 C ATOM 0 HA PRO A 22 0.525 11.388 1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.311 10.261 -1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.276 10.989 -1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.506 8.082 -0.862 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.867 8.817 -1.687 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.152 7.608 0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.145 8.976 0.274 1.00 0.00 H new ATOM 307 N PRO A 23 -1.962 10.813 1.002 1.00 0.00 N ATOM 308 CA PRO A 23 -3.370 10.551 1.316 1.00 0.00 C ATOM 309 C PRO A 23 -3.967 9.459 0.436 1.00 0.00 C ATOM 310 O PRO A 23 -3.838 9.496 -0.788 1.00 0.00 O ATOM 311 CB PRO A 23 -4.051 11.894 1.038 1.00 0.00 C ATOM 312 CG PRO A 23 -3.171 12.566 0.042 1.00 0.00 C ATOM 313 CD PRO A 23 -1.770 12.126 0.364 1.00 0.00 C ATOM 0 HA PRO A 23 -3.500 10.195 2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.058 11.753 0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.144 12.487 1.948 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.445 12.283 -0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.264 13.650 0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.156 12.050 -0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.272 12.828 1.032 1.00 0.00 H new ATOM 321 N ILE A 24 -4.620 8.488 1.066 1.00 0.00 N ATOM 322 CA ILE A 24 -5.238 7.387 0.339 1.00 0.00 C ATOM 323 C ILE A 24 -6.381 7.881 -0.541 1.00 0.00 C ATOM 324 O ILE A 24 -7.181 8.729 -0.144 1.00 0.00 O ATOM 325 CB ILE A 24 -5.774 6.308 1.299 1.00 0.00 C ATOM 326 CG1 ILE A 24 -4.634 5.735 2.143 1.00 0.00 C ATOM 327 CG2 ILE A 24 -6.470 5.203 0.519 1.00 0.00 C ATOM 328 CD1 ILE A 24 -5.102 5.074 3.421 1.00 0.00 C ATOM 0 H ILE A 24 -4.734 8.442 2.079 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.462 6.950 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.502 6.767 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.082 5.007 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.938 6.536 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.843 4.448 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.304 5.624 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.762 4.744 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.241 4.691 3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.628 5.804 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.774 4.251 3.180 1.00 0.00 H new ATOM 340 N PRO A 25 -6.463 7.339 -1.765 1.00 0.00 N ATOM 341 CA PRO A 25 -7.507 7.708 -2.726 1.00 0.00 C ATOM 342 C PRO A 25 -8.885 7.209 -2.306 1.00 0.00 C ATOM 343 O PRO A 25 -9.027 6.528 -1.290 1.00 0.00 O ATOM 344 CB PRO A 25 -7.060 7.019 -4.018 1.00 0.00 C ATOM 345 CG PRO A 25 -6.228 5.869 -3.565 1.00 0.00 C ATOM 346 CD PRO A 25 -5.544 6.324 -2.305 1.00 0.00 C ATOM 0 HA PRO A 25 -7.612 8.789 -2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.915 6.682 -4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.487 7.697 -4.651 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.845 4.990 -3.378 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.499 5.591 -4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.400 5.500 -1.606 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.559 6.743 -2.511 1.00 0.00 H new ATOM 354 N LYS A 26 -9.899 7.551 -3.094 1.00 0.00 N ATOM 355 CA LYS A 26 -11.266 7.136 -2.805 1.00 0.00 C ATOM 356 C LYS A 26 -11.541 5.742 -3.359 1.00 0.00 C ATOM 357 O LYS A 26 -11.198 5.440 -4.502 1.00 0.00 O ATOM 358 CB LYS A 26 -12.261 8.137 -3.399 1.00 0.00 C ATOM 359 CG LYS A 26 -13.567 8.225 -2.629 1.00 0.00 C ATOM 360 CD LYS A 26 -13.493 9.263 -1.522 1.00 0.00 C ATOM 361 CE LYS A 26 -13.653 10.674 -2.069 1.00 0.00 C ATOM 362 NZ LYS A 26 -15.071 10.982 -2.402 1.00 0.00 N ATOM 0 H LYS A 26 -9.799 8.115 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.389 7.108 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.798 9.123 -3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.475 7.856 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.377 8.478 -3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.804 7.251 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.272 9.067 -0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.537 9.178 -1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.288 11.392 -1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.037 10.790 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.157 11.986 -2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.375 10.393 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.672 10.782 -1.577 1.00 0.00 H new ATOM 376 N GLU A 27 -12.161 4.896 -2.542 1.00 0.00 N ATOM 377 CA GLU A 27 -12.481 3.534 -2.952 1.00 0.00 C ATOM 378 C GLU A 27 -12.836 3.482 -4.435 1.00 0.00 C ATOM 379 O GLU A 27 -13.352 4.441 -5.010 1.00 0.00 O ATOM 380 CB GLU A 27 -13.642 2.986 -2.119 1.00 0.00 C ATOM 381 CG GLU A 27 -13.252 2.623 -0.696 1.00 0.00 C ATOM 382 CD GLU A 27 -14.447 2.256 0.161 1.00 0.00 C ATOM 383 OE1 GLU A 27 -15.324 1.514 -0.330 1.00 0.00 O ATOM 384 OE2 GLU A 27 -14.505 2.710 1.323 1.00 0.00 O ATOM 0 H GLU A 27 -12.451 5.130 -1.593 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.600 2.915 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.439 3.728 -2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.047 2.102 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.554 1.786 -0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.728 3.464 -0.241 1.00 0.00 H new ATOM 391 N PRO A 28 -12.554 2.335 -5.071 1.00 0.00 N ATOM 392 CA PRO A 28 -12.835 2.129 -6.495 1.00 0.00 C ATOM 393 C PRO A 28 -14.329 2.036 -6.783 1.00 0.00 C ATOM 394 O PRO A 28 -15.103 1.561 -5.952 1.00 0.00 O ATOM 395 CB PRO A 28 -12.146 0.797 -6.803 1.00 0.00 C ATOM 396 CG PRO A 28 -12.098 0.084 -5.496 1.00 0.00 C ATOM 397 CD PRO A 28 -11.940 1.151 -4.448 1.00 0.00 C ATOM 0 HA PRO A 28 -12.480 2.959 -7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.703 0.226 -7.545 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.145 0.953 -7.206 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.009 -0.492 -5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.266 -0.619 -5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.442 0.880 -3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.892 1.323 -4.205 1.00 0.00 H new ATOM 405 N SER A 29 -14.728 2.490 -7.967 1.00 0.00 N ATOM 406 CA SER A 29 -16.131 2.460 -8.364 1.00 0.00 C ATOM 407 C SER A 29 -16.693 1.045 -8.267 1.00 0.00 C ATOM 408 O SER A 29 -16.012 0.125 -7.818 1.00 0.00 O ATOM 409 CB SER A 29 -16.290 2.988 -9.791 1.00 0.00 C ATOM 410 OG SER A 29 -15.411 2.323 -10.682 1.00 0.00 O ATOM 0 H SER A 29 -14.100 2.883 -8.668 1.00 0.00 H new ATOM 0 HA SER A 29 -16.690 3.101 -7.683 1.00 0.00 H new ATOM 0 HB2 SER A 29 -17.320 2.850 -10.121 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.090 4.059 -9.810 1.00 0.00 H new ATOM 0 HG SER A 29 -15.533 2.677 -11.587 1.00 0.00 H new ATOM 416 N ASN A 30 -17.941 0.881 -8.693 1.00 0.00 N ATOM 417 CA ASN A 30 -18.597 -0.422 -8.654 1.00 0.00 C ATOM 418 C ASN A 30 -17.640 -1.525 -9.095 1.00 0.00 C ATOM 419 O ASN A 30 -16.902 -1.370 -10.068 1.00 0.00 O ATOM 420 CB ASN A 30 -19.837 -0.419 -9.550 1.00 0.00 C ATOM 421 CG ASN A 30 -20.694 -1.655 -9.356 1.00 0.00 C ATOM 422 OD1 ASN A 30 -20.338 -2.746 -9.801 1.00 0.00 O ATOM 423 ND2 ASN A 30 -21.829 -1.488 -8.688 1.00 0.00 N ATOM 0 H ASN A 30 -18.518 1.633 -9.069 1.00 0.00 H new ATOM 0 HA ASN A 30 -18.901 -0.618 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.432 0.469 -9.339 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -19.528 -0.355 -10.593 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -22.447 -2.283 -8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -22.083 -0.565 -8.337 1.00 0.00 H new ATOM 430 N TYR A 31 -17.658 -2.640 -8.372 1.00 0.00 N ATOM 431 CA TYR A 31 -16.792 -3.769 -8.687 1.00 0.00 C ATOM 432 C TYR A 31 -17.388 -4.619 -9.805 1.00 0.00 C ATOM 433 O TYR A 31 -18.599 -4.837 -9.856 1.00 0.00 O ATOM 434 CB TYR A 31 -16.567 -4.629 -7.442 1.00 0.00 C ATOM 435 CG TYR A 31 -16.435 -3.827 -6.168 1.00 0.00 C ATOM 436 CD1 TYR A 31 -15.262 -3.141 -5.874 1.00 0.00 C ATOM 437 CD2 TYR A 31 -17.481 -3.755 -5.256 1.00 0.00 C ATOM 438 CE1 TYR A 31 -15.136 -2.407 -4.711 1.00 0.00 C ATOM 439 CE2 TYR A 31 -17.364 -3.023 -4.091 1.00 0.00 C ATOM 440 CZ TYR A 31 -16.190 -2.351 -3.823 1.00 0.00 C ATOM 441 OH TYR A 31 -16.069 -1.621 -2.662 1.00 0.00 O ATOM 0 H TYR A 31 -18.263 -2.785 -7.564 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.834 -3.375 -9.027 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.398 -5.327 -7.338 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.665 -5.226 -7.581 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.435 -3.183 -6.567 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -18.402 -4.281 -5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -14.218 -1.880 -4.498 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -18.187 -2.977 -3.394 1.00 0.00 H new ATOM 0 HH TYR A 31 -16.901 -1.684 -2.148 1.00 0.00 H new ATOM 451 N ASP A 32 -16.529 -5.095 -10.699 1.00 0.00 N ATOM 452 CA ASP A 32 -16.969 -5.923 -11.817 1.00 0.00 C ATOM 453 C ASP A 32 -17.342 -7.324 -11.342 1.00 0.00 C ATOM 454 O ASP A 32 -18.479 -7.765 -11.507 1.00 0.00 O ATOM 455 CB ASP A 32 -15.873 -6.006 -12.880 1.00 0.00 C ATOM 456 CG ASP A 32 -15.817 -4.766 -13.752 1.00 0.00 C ATOM 457 OD1 ASP A 32 -16.870 -4.377 -14.297 1.00 0.00 O ATOM 458 OD2 ASP A 32 -14.719 -4.186 -13.888 1.00 0.00 O ATOM 0 H ASP A 32 -15.524 -4.922 -10.672 1.00 0.00 H new ATOM 0 HA ASP A 32 -17.854 -5.460 -12.254 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.908 -6.148 -12.393 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.045 -6.881 -13.508 1.00 0.00 H new ATOM 463 N PHE A 33 -16.375 -8.020 -10.753 1.00 0.00 N ATOM 464 CA PHE A 33 -16.600 -9.372 -10.256 1.00 0.00 C ATOM 465 C PHE A 33 -17.802 -9.413 -9.316 1.00 0.00 C ATOM 466 O PHE A 33 -17.790 -8.801 -8.248 1.00 0.00 O ATOM 467 CB PHE A 33 -15.354 -9.886 -9.531 1.00 0.00 C ATOM 468 CG PHE A 33 -14.560 -8.801 -8.861 1.00 0.00 C ATOM 469 CD1 PHE A 33 -13.549 -8.144 -9.542 1.00 0.00 C ATOM 470 CD2 PHE A 33 -14.825 -8.440 -7.550 1.00 0.00 C ATOM 471 CE1 PHE A 33 -12.816 -7.145 -8.929 1.00 0.00 C ATOM 472 CE2 PHE A 33 -14.096 -7.441 -6.932 1.00 0.00 C ATOM 473 CZ PHE A 33 -13.090 -6.794 -7.622 1.00 0.00 C ATOM 0 H PHE A 33 -15.428 -7.670 -10.608 1.00 0.00 H new ATOM 0 HA PHE A 33 -16.807 -10.016 -11.110 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -15.655 -10.619 -8.783 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -14.715 -10.404 -10.246 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -13.331 -8.415 -10.564 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.609 -8.944 -7.005 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.030 -6.640 -9.471 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -14.313 -7.167 -5.910 1.00 0.00 H new ATOM 0 HZ PHE A 33 -12.518 -6.015 -7.140 1.00 0.00 H new ATOM 483 N SER A 34 -18.839 -10.139 -9.723 1.00 0.00 N ATOM 484 CA SER A 34 -20.051 -10.257 -8.921 1.00 0.00 C ATOM 485 C SER A 34 -20.331 -11.715 -8.571 1.00 0.00 C ATOM 486 O SER A 34 -20.483 -12.559 -9.453 1.00 0.00 O ATOM 487 CB SER A 34 -21.244 -9.662 -9.671 1.00 0.00 C ATOM 488 OG SER A 34 -22.210 -9.150 -8.769 1.00 0.00 O ATOM 0 H SER A 34 -18.864 -10.654 -10.603 1.00 0.00 H new ATOM 0 HA SER A 34 -19.900 -9.702 -7.995 1.00 0.00 H new ATOM 0 HB2 SER A 34 -20.902 -8.866 -10.332 1.00 0.00 H new ATOM 0 HB3 SER A 34 -21.699 -10.426 -10.301 1.00 0.00 H new ATOM 0 HG SER A 34 -22.961 -8.774 -9.273 1.00 0.00 H new ATOM 494 N GLY A 35 -20.396 -12.004 -7.275 1.00 0.00 N ATOM 495 CA GLY A 35 -20.658 -13.361 -6.829 1.00 0.00 C ATOM 496 C GLY A 35 -19.538 -14.316 -7.193 1.00 0.00 C ATOM 497 O GLY A 35 -18.877 -14.169 -8.221 1.00 0.00 O ATOM 0 H GLY A 35 -20.272 -11.323 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.798 -13.365 -5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.590 -13.713 -7.272 1.00 0.00 H new ATOM 501 N PRO A 36 -19.311 -15.321 -6.334 1.00 0.00 N ATOM 502 CA PRO A 36 -18.262 -16.323 -6.549 1.00 0.00 C ATOM 503 C PRO A 36 -18.582 -17.257 -7.711 1.00 0.00 C ATOM 504 O PRO A 36 -17.681 -17.789 -8.358 1.00 0.00 O ATOM 505 CB PRO A 36 -18.239 -17.099 -5.229 1.00 0.00 C ATOM 506 CG PRO A 36 -19.606 -16.926 -4.663 1.00 0.00 C ATOM 507 CD PRO A 36 -20.060 -15.557 -5.089 1.00 0.00 C ATOM 0 HA PRO A 36 -17.307 -15.866 -6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -18.009 -18.152 -5.393 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.478 -16.708 -4.553 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -20.283 -17.695 -5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -19.592 -17.012 -3.576 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -21.137 -15.525 -5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -19.831 -14.805 -4.334 1.00 0.00 H new ATOM 515 N SER A 37 -19.871 -17.453 -7.969 1.00 0.00 N ATOM 516 CA SER A 37 -20.310 -18.326 -9.052 1.00 0.00 C ATOM 517 C SER A 37 -21.640 -17.850 -9.629 1.00 0.00 C ATOM 518 O SER A 37 -22.443 -17.226 -8.934 1.00 0.00 O ATOM 519 CB SER A 37 -20.444 -19.765 -8.552 1.00 0.00 C ATOM 520 OG SER A 37 -19.225 -20.228 -7.997 1.00 0.00 O ATOM 0 H SER A 37 -20.630 -17.019 -7.443 1.00 0.00 H new ATOM 0 HA SER A 37 -19.559 -18.291 -9.841 1.00 0.00 H new ATOM 0 HB2 SER A 37 -21.233 -19.821 -7.802 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.741 -20.413 -9.376 1.00 0.00 H new ATOM 0 HG SER A 37 -19.338 -21.150 -7.683 1.00 0.00 H new ATOM 526 N SER A 38 -21.865 -18.149 -10.904 1.00 0.00 N ATOM 527 CA SER A 38 -23.095 -17.749 -11.577 1.00 0.00 C ATOM 528 C SER A 38 -24.289 -17.851 -10.633 1.00 0.00 C ATOM 529 O SER A 38 -25.138 -16.962 -10.588 1.00 0.00 O ATOM 530 CB SER A 38 -23.332 -18.619 -12.813 1.00 0.00 C ATOM 531 OG SER A 38 -22.691 -18.072 -13.952 1.00 0.00 O ATOM 0 H SER A 38 -21.212 -18.667 -11.492 1.00 0.00 H new ATOM 0 HA SER A 38 -22.988 -16.710 -11.888 1.00 0.00 H new ATOM 0 HB2 SER A 38 -22.958 -19.626 -12.630 1.00 0.00 H new ATOM 0 HB3 SER A 38 -24.402 -18.706 -13.001 1.00 0.00 H new ATOM 0 HG SER A 38 -22.856 -18.647 -14.728 1.00 0.00 H new ATOM 537 N GLY A 39 -24.347 -18.944 -9.878 1.00 0.00 N ATOM 538 CA GLY A 39 -25.440 -19.144 -8.944 1.00 0.00 C ATOM 539 C GLY A 39 -25.085 -18.713 -7.535 1.00 0.00 C ATOM 540 O GLY A 39 -24.014 -19.048 -7.027 1.00 0.00 O ATOM 0 H GLY A 39 -23.657 -19.695 -9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -26.311 -18.583 -9.283 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -25.721 -20.197 -8.939 1.00 0.00 H new ATOM 544 N ILE A 40 -25.984 -17.967 -6.902 1.00 0.00 N ATOM 545 CA ILE A 40 -25.759 -17.489 -5.544 1.00 0.00 C ATOM 546 C ILE A 40 -27.005 -17.670 -4.684 1.00 0.00 C ATOM 547 O ILE A 40 -28.129 -17.574 -5.176 1.00 0.00 O ATOM 548 CB ILE A 40 -25.351 -16.004 -5.530 1.00 0.00 C ATOM 549 CG1 ILE A 40 -26.471 -15.139 -6.111 1.00 0.00 C ATOM 550 CG2 ILE A 40 -24.060 -15.802 -6.309 1.00 0.00 C ATOM 551 CD1 ILE A 40 -27.459 -14.652 -5.075 1.00 0.00 C ATOM 0 H ILE A 40 -26.875 -17.681 -7.308 1.00 0.00 H new ATOM 0 HA ILE A 40 -24.945 -18.085 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 40 -25.181 -15.699 -4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -26.030 -14.278 -6.614 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -27.005 -15.712 -6.869 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -23.785 -14.747 -6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -23.265 -16.393 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -24.204 -16.121 -7.341 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -28.224 -14.045 -5.559 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -27.928 -15.508 -4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -26.938 -14.052 -4.329 1.00 0.00 H new ATOM 563 N GLU A 41 -26.797 -17.930 -3.397 1.00 0.00 N ATOM 564 CA GLU A 41 -27.905 -18.123 -2.469 1.00 0.00 C ATOM 565 C GLU A 41 -28.102 -16.890 -1.593 1.00 0.00 C ATOM 566 O GLU A 41 -29.228 -16.446 -1.372 1.00 0.00 O ATOM 567 CB GLU A 41 -27.655 -19.351 -1.591 1.00 0.00 C ATOM 568 CG GLU A 41 -28.023 -20.664 -2.262 1.00 0.00 C ATOM 569 CD GLU A 41 -27.938 -21.846 -1.316 1.00 0.00 C ATOM 570 OE1 GLU A 41 -26.841 -22.430 -1.194 1.00 0.00 O ATOM 571 OE2 GLU A 41 -28.968 -22.188 -0.698 1.00 0.00 O ATOM 0 H GLU A 41 -25.873 -18.012 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 41 -28.812 -18.281 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -26.602 -19.379 -1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -28.228 -19.251 -0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -29.036 -20.593 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -27.359 -20.833 -3.110 1.00 0.00 H new ATOM 578 N GLY A 42 -26.998 -16.341 -1.096 1.00 0.00 N ATOM 579 CA GLY A 42 -27.070 -15.165 -0.249 1.00 0.00 C ATOM 580 C GLY A 42 -25.716 -14.518 -0.038 1.00 0.00 C ATOM 581 O GLY A 42 -24.930 -14.387 -0.977 1.00 0.00 O ATOM 0 H GLY A 42 -26.055 -16.690 -1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -27.750 -14.440 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -27.491 -15.442 0.717 1.00 0.00 H new ATOM 585 N ARG A 43 -25.442 -14.110 1.197 1.00 0.00 N ATOM 586 CA ARG A 43 -24.174 -13.470 1.526 1.00 0.00 C ATOM 587 C ARG A 43 -23.007 -14.425 1.293 1.00 0.00 C ATOM 588 O ARG A 43 -22.073 -14.111 0.556 1.00 0.00 O ATOM 589 CB ARG A 43 -24.179 -13.000 2.982 1.00 0.00 C ATOM 590 CG ARG A 43 -25.309 -12.037 3.307 1.00 0.00 C ATOM 591 CD ARG A 43 -24.928 -11.091 4.435 1.00 0.00 C ATOM 592 NE ARG A 43 -25.100 -11.706 5.748 1.00 0.00 N ATOM 593 CZ ARG A 43 -26.285 -11.981 6.281 1.00 0.00 C ATOM 594 NH1 ARG A 43 -27.396 -11.698 5.617 1.00 0.00 N ATOM 595 NH2 ARG A 43 -26.360 -12.542 7.481 1.00 0.00 N ATOM 0 H ARG A 43 -26.081 -14.211 1.986 1.00 0.00 H new ATOM 0 HA ARG A 43 -24.051 -12.606 0.873 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -24.255 -13.869 3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -23.227 -12.517 3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -25.564 -11.460 2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -26.199 -12.600 3.588 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -23.890 -10.781 4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -25.539 -10.190 4.374 1.00 0.00 H new ATOM 0 HE ARG A 43 -24.264 -11.937 6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -27.343 -11.268 4.694 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -28.305 -11.910 6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -25.507 -12.762 7.995 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -27.271 -12.753 7.889 1.00 0.00 H new ATOM 609 N GLY A 44 -23.067 -15.592 1.928 1.00 0.00 N ATOM 610 CA GLY A 44 -22.009 -16.573 1.777 1.00 0.00 C ATOM 611 C GLY A 44 -21.818 -17.416 3.022 1.00 0.00 C ATOM 612 O GLY A 44 -21.743 -16.889 4.132 1.00 0.00 O ATOM 0 H GLY A 44 -23.829 -15.875 2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -22.239 -17.224 0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -21.075 -16.062 1.541 1.00 0.00 H new ATOM 616 N SER A 45 -21.742 -18.731 2.839 1.00 0.00 N ATOM 617 CA SER A 45 -21.564 -19.649 3.958 1.00 0.00 C ATOM 618 C SER A 45 -20.084 -19.922 4.208 1.00 0.00 C ATOM 619 O SER A 45 -19.646 -21.072 4.214 1.00 0.00 O ATOM 620 CB SER A 45 -22.298 -20.964 3.687 1.00 0.00 C ATOM 621 OG SER A 45 -21.912 -21.516 2.440 1.00 0.00 O ATOM 0 H SER A 45 -21.801 -19.184 1.927 1.00 0.00 H new ATOM 0 HA SER A 45 -21.984 -19.182 4.849 1.00 0.00 H new ATOM 0 HB2 SER A 45 -22.084 -21.675 4.485 1.00 0.00 H new ATOM 0 HB3 SER A 45 -23.374 -20.792 3.694 1.00 0.00 H new ATOM 0 HG SER A 45 -22.394 -22.356 2.291 1.00 0.00 H new ATOM 627 N SER A 46 -19.319 -18.855 4.413 1.00 0.00 N ATOM 628 CA SER A 46 -17.887 -18.977 4.660 1.00 0.00 C ATOM 629 C SER A 46 -17.258 -19.996 3.715 1.00 0.00 C ATOM 630 O SER A 46 -16.434 -20.813 4.124 1.00 0.00 O ATOM 631 CB SER A 46 -17.631 -19.385 6.112 1.00 0.00 C ATOM 632 OG SER A 46 -16.259 -19.262 6.443 1.00 0.00 O ATOM 0 H SER A 46 -19.667 -17.896 4.413 1.00 0.00 H new ATOM 0 HA SER A 46 -17.428 -18.006 4.477 1.00 0.00 H new ATOM 0 HB2 SER A 46 -18.226 -18.761 6.779 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.954 -20.414 6.266 1.00 0.00 H new ATOM 0 HG SER A 46 -15.727 -19.836 5.853 1.00 0.00 H new ATOM 638 N GLY A 47 -17.654 -19.941 2.447 1.00 0.00 N ATOM 639 CA GLY A 47 -17.120 -20.863 1.462 1.00 0.00 C ATOM 640 C GLY A 47 -15.625 -21.069 1.611 1.00 0.00 C ATOM 641 O GLY A 47 -14.853 -20.111 1.567 1.00 0.00 O ATOM 0 H GLY A 47 -18.335 -19.274 2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -17.627 -21.823 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.334 -20.486 0.462 1.00 0.00 H new ATOM 645 N SER A 48 -15.216 -22.321 1.788 1.00 0.00 N ATOM 646 CA SER A 48 -13.804 -22.648 1.949 1.00 0.00 C ATOM 647 C SER A 48 -13.143 -22.882 0.594 1.00 0.00 C ATOM 648 O SER A 48 -12.119 -22.275 0.277 1.00 0.00 O ATOM 649 CB SER A 48 -13.644 -23.890 2.828 1.00 0.00 C ATOM 650 OG SER A 48 -12.283 -24.272 2.927 1.00 0.00 O ATOM 0 H SER A 48 -15.842 -23.125 1.824 1.00 0.00 H new ATOM 0 HA SER A 48 -13.313 -21.803 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.042 -23.689 3.823 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.226 -24.712 2.411 1.00 0.00 H new ATOM 0 HG SER A 48 -12.207 -25.067 3.495 1.00 0.00 H new ATOM 656 N SER A 49 -13.735 -23.766 -0.202 1.00 0.00 N ATOM 657 CA SER A 49 -13.202 -24.084 -1.522 1.00 0.00 C ATOM 658 C SER A 49 -13.941 -23.307 -2.607 1.00 0.00 C ATOM 659 O SER A 49 -15.034 -22.790 -2.382 1.00 0.00 O ATOM 660 CB SER A 49 -13.311 -25.586 -1.790 1.00 0.00 C ATOM 661 OG SER A 49 -12.693 -26.335 -0.758 1.00 0.00 O ATOM 0 H SER A 49 -14.584 -24.275 0.044 1.00 0.00 H new ATOM 0 HA SER A 49 -12.152 -23.794 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.361 -25.869 -1.870 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.843 -25.823 -2.746 1.00 0.00 H new ATOM 0 HG SER A 49 -12.778 -27.292 -0.952 1.00 0.00 H new ATOM 667 N GLY A 50 -13.333 -23.229 -3.788 1.00 0.00 N ATOM 668 CA GLY A 50 -13.946 -22.514 -4.891 1.00 0.00 C ATOM 669 C GLY A 50 -12.954 -21.651 -5.646 1.00 0.00 C ATOM 670 O GLY A 50 -13.221 -20.482 -5.922 1.00 0.00 O ATOM 0 H GLY A 50 -12.427 -23.648 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.397 -23.230 -5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.752 -21.887 -4.510 1.00 0.00 H new ATOM 674 N SER A 51 -11.804 -22.229 -5.979 1.00 0.00 N ATOM 675 CA SER A 51 -10.765 -21.503 -6.701 1.00 0.00 C ATOM 676 C SER A 51 -9.736 -22.466 -7.285 1.00 0.00 C ATOM 677 O SER A 51 -9.010 -23.137 -6.550 1.00 0.00 O ATOM 678 CB SER A 51 -10.075 -20.501 -5.774 1.00 0.00 C ATOM 679 OG SER A 51 -9.308 -21.166 -4.785 1.00 0.00 O ATOM 0 H SER A 51 -11.568 -23.197 -5.761 1.00 0.00 H new ATOM 0 HA SER A 51 -11.237 -20.962 -7.521 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.430 -19.845 -6.358 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.823 -19.869 -5.295 1.00 0.00 H new ATOM 0 HG SER A 51 -8.988 -22.022 -5.140 1.00 0.00 H new ATOM 685 N SER A 52 -9.678 -22.529 -8.611 1.00 0.00 N ATOM 686 CA SER A 52 -8.741 -23.412 -9.295 1.00 0.00 C ATOM 687 C SER A 52 -8.516 -22.957 -10.733 1.00 0.00 C ATOM 688 O SER A 52 -9.446 -22.520 -11.410 1.00 0.00 O ATOM 689 CB SER A 52 -9.259 -24.852 -9.278 1.00 0.00 C ATOM 690 OG SER A 52 -8.240 -25.765 -9.645 1.00 0.00 O ATOM 0 H SER A 52 -10.269 -21.979 -9.234 1.00 0.00 H new ATOM 0 HA SER A 52 -7.789 -23.370 -8.766 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.630 -25.097 -8.283 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.101 -24.947 -9.964 1.00 0.00 H new ATOM 0 HG SER A 52 -8.596 -26.678 -9.625 1.00 0.00 H new ATOM 696 N GLY A 53 -7.273 -23.063 -11.194 1.00 0.00 N ATOM 697 CA GLY A 53 -6.947 -22.659 -12.549 1.00 0.00 C ATOM 698 C GLY A 53 -5.675 -21.838 -12.618 1.00 0.00 C ATOM 699 O GLY A 53 -4.846 -22.039 -13.506 1.00 0.00 O ATOM 0 H GLY A 53 -6.486 -23.422 -10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.838 -23.546 -13.173 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.773 -22.079 -12.961 1.00 0.00 H new ATOM 703 N SER A 54 -5.519 -20.909 -11.681 1.00 0.00 N ATOM 704 CA SER A 54 -4.341 -20.051 -11.642 1.00 0.00 C ATOM 705 C SER A 54 -3.127 -20.817 -11.126 1.00 0.00 C ATOM 706 O SER A 54 -3.049 -21.155 -9.945 1.00 0.00 O ATOM 707 CB SER A 54 -4.602 -18.830 -10.758 1.00 0.00 C ATOM 708 OG SER A 54 -3.396 -18.145 -10.467 1.00 0.00 O ATOM 0 H SER A 54 -6.194 -20.731 -10.938 1.00 0.00 H new ATOM 0 HA SER A 54 -4.132 -19.717 -12.658 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.295 -18.155 -11.260 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.079 -19.144 -9.830 1.00 0.00 H new ATOM 0 HG SER A 54 -3.589 -17.368 -9.902 1.00 0.00 H new ATOM 714 N SER A 55 -2.182 -21.089 -12.020 1.00 0.00 N ATOM 715 CA SER A 55 -0.973 -21.819 -11.657 1.00 0.00 C ATOM 716 C SER A 55 0.134 -21.579 -12.679 1.00 0.00 C ATOM 717 O SER A 55 -0.031 -21.858 -13.866 1.00 0.00 O ATOM 718 CB SER A 55 -1.269 -23.316 -11.550 1.00 0.00 C ATOM 719 OG SER A 55 -0.209 -24.000 -10.905 1.00 0.00 O ATOM 0 H SER A 55 -2.230 -20.815 -13.001 1.00 0.00 H new ATOM 0 HA SER A 55 -0.634 -21.453 -10.688 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.195 -23.468 -10.995 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.422 -23.732 -12.546 1.00 0.00 H new ATOM 0 HG SER A 55 -0.423 -24.955 -10.847 1.00 0.00 H new ATOM 725 N GLY A 56 1.263 -21.059 -12.208 1.00 0.00 N ATOM 726 CA GLY A 56 2.381 -20.789 -13.093 1.00 0.00 C ATOM 727 C GLY A 56 2.043 -19.768 -14.161 1.00 0.00 C ATOM 728 O GLY A 56 1.988 -20.095 -15.347 1.00 0.00 O ATOM 0 H GLY A 56 1.423 -20.820 -11.230 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.226 -20.430 -12.506 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.696 -21.718 -13.569 1.00 0.00 H new ATOM 732 N ASP A 57 1.813 -18.529 -13.741 1.00 0.00 N ATOM 733 CA ASP A 57 1.477 -17.457 -14.671 1.00 0.00 C ATOM 734 C ASP A 57 2.320 -16.215 -14.395 1.00 0.00 C ATOM 735 O ASP A 57 2.447 -15.779 -13.251 1.00 0.00 O ATOM 736 CB ASP A 57 -0.010 -17.112 -14.569 1.00 0.00 C ATOM 737 CG ASP A 57 -0.532 -16.429 -15.818 1.00 0.00 C ATOM 738 OD1 ASP A 57 -0.027 -16.736 -16.917 1.00 0.00 O ATOM 739 OD2 ASP A 57 -1.446 -15.586 -15.695 1.00 0.00 O ATOM 0 H ASP A 57 1.853 -18.242 -12.763 1.00 0.00 H new ATOM 0 HA ASP A 57 1.693 -17.804 -15.681 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.580 -18.024 -14.391 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.171 -16.462 -13.709 1.00 0.00 H new ATOM 744 N LYS A 58 2.894 -15.650 -15.451 1.00 0.00 N ATOM 745 CA LYS A 58 3.725 -14.458 -15.325 1.00 0.00 C ATOM 746 C LYS A 58 2.911 -13.281 -14.796 1.00 0.00 C ATOM 747 O LYS A 58 2.250 -12.580 -15.561 1.00 0.00 O ATOM 748 CB LYS A 58 4.344 -14.097 -16.677 1.00 0.00 C ATOM 749 CG LYS A 58 5.287 -12.908 -16.616 1.00 0.00 C ATOM 750 CD LYS A 58 6.542 -13.231 -15.823 1.00 0.00 C ATOM 751 CE LYS A 58 7.483 -14.129 -16.611 1.00 0.00 C ATOM 752 NZ LYS A 58 8.440 -13.341 -17.436 1.00 0.00 N ATOM 0 H LYS A 58 2.799 -15.998 -16.405 1.00 0.00 H new ATOM 0 HA LYS A 58 4.522 -14.675 -14.614 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.886 -14.961 -17.061 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.545 -13.881 -17.387 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.562 -12.608 -17.627 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.776 -12.060 -16.160 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.055 -12.306 -15.560 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.267 -13.721 -14.889 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.037 -14.768 -15.923 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.901 -14.786 -17.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.064 -13.989 -17.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.913 -12.750 -18.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.013 -12.732 -16.817 1.00 0.00 H new ATOM 766 N GLU A 59 2.967 -13.071 -13.485 1.00 0.00 N ATOM 767 CA GLU A 59 2.235 -11.978 -12.856 1.00 0.00 C ATOM 768 C GLU A 59 3.177 -10.838 -12.478 1.00 0.00 C ATOM 769 O GLU A 59 4.382 -10.911 -12.717 1.00 0.00 O ATOM 770 CB GLU A 59 1.497 -12.478 -11.612 1.00 0.00 C ATOM 771 CG GLU A 59 0.360 -13.436 -11.922 1.00 0.00 C ATOM 772 CD GLU A 59 -0.428 -13.028 -13.152 1.00 0.00 C ATOM 773 OE1 GLU A 59 -0.841 -11.853 -13.229 1.00 0.00 O ATOM 774 OE2 GLU A 59 -0.630 -13.885 -14.038 1.00 0.00 O ATOM 0 H GLU A 59 3.511 -13.642 -12.838 1.00 0.00 H new ATOM 0 HA GLU A 59 1.507 -11.602 -13.575 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.209 -12.974 -10.953 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.101 -11.622 -11.067 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.764 -14.438 -12.070 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.312 -13.486 -11.065 1.00 0.00 H new ATOM 781 N ARG A 60 2.617 -9.787 -11.889 1.00 0.00 N ATOM 782 CA ARG A 60 3.406 -8.631 -11.480 1.00 0.00 C ATOM 783 C ARG A 60 3.837 -8.755 -10.022 1.00 0.00 C ATOM 784 O ARG A 60 3.056 -9.173 -9.166 1.00 0.00 O ATOM 785 CB ARG A 60 2.604 -7.343 -11.678 1.00 0.00 C ATOM 786 CG ARG A 60 3.465 -6.132 -11.996 1.00 0.00 C ATOM 787 CD ARG A 60 3.661 -5.965 -13.495 1.00 0.00 C ATOM 788 NE ARG A 60 4.626 -6.921 -14.031 1.00 0.00 N ATOM 789 CZ ARG A 60 4.854 -7.086 -15.329 1.00 0.00 C ATOM 790 NH1 ARG A 60 4.189 -6.363 -16.219 1.00 0.00 N ATOM 791 NH2 ARG A 60 5.749 -7.976 -15.739 1.00 0.00 N ATOM 0 H ARG A 60 1.621 -9.712 -11.684 1.00 0.00 H new ATOM 0 HA ARG A 60 4.300 -8.594 -12.103 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.888 -7.492 -12.486 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.028 -7.141 -10.775 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.999 -5.236 -11.587 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.435 -6.237 -11.511 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.705 -6.093 -14.002 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.000 -4.951 -13.705 1.00 0.00 H new ATOM 0 HE ARG A 60 5.154 -7.494 -13.372 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.500 -5.678 -15.908 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.366 -6.492 -17.215 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.263 -8.534 -15.057 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.923 -8.102 -16.736 1.00 0.00 H new ATOM 805 N HIS A 61 5.085 -8.389 -9.745 1.00 0.00 N ATOM 806 CA HIS A 61 5.620 -8.459 -8.390 1.00 0.00 C ATOM 807 C HIS A 61 5.628 -7.080 -7.737 1.00 0.00 C ATOM 808 O HIS A 61 6.297 -6.163 -8.210 1.00 0.00 O ATOM 809 CB HIS A 61 7.035 -9.037 -8.408 1.00 0.00 C ATOM 810 CG HIS A 61 7.384 -9.806 -7.170 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.567 -9.631 -6.484 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.696 -10.757 -6.496 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.592 -10.442 -5.441 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.468 -11.136 -5.426 1.00 0.00 N ATOM 0 H HIS A 61 5.744 -8.041 -10.441 1.00 0.00 H new ATOM 0 HA HIS A 61 4.976 -9.114 -7.804 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.141 -9.691 -9.274 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.749 -8.223 -8.534 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.721 -11.145 -6.752 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.395 -10.524 -4.723 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.215 -11.839 -4.732 1.00 0.00 H new ATOM 823 N GLY A 62 4.880 -6.942 -6.647 1.00 0.00 N ATOM 824 CA GLY A 62 4.815 -5.672 -5.948 1.00 0.00 C ATOM 825 C GLY A 62 5.218 -5.791 -4.492 1.00 0.00 C ATOM 826 O GLY A 62 5.307 -6.894 -3.952 1.00 0.00 O ATOM 0 H GLY A 62 4.318 -7.687 -6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.467 -4.954 -6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.801 -5.278 -6.010 1.00 0.00 H new ATOM 830 N VAL A 63 5.466 -4.652 -3.853 1.00 0.00 N ATOM 831 CA VAL A 63 5.864 -4.632 -2.450 1.00 0.00 C ATOM 832 C VAL A 63 5.271 -3.428 -1.728 1.00 0.00 C ATOM 833 O VAL A 63 5.302 -2.308 -2.238 1.00 0.00 O ATOM 834 CB VAL A 63 7.396 -4.603 -2.302 1.00 0.00 C ATOM 835 CG1 VAL A 63 7.790 -4.068 -0.934 1.00 0.00 C ATOM 836 CG2 VAL A 63 7.980 -5.989 -2.530 1.00 0.00 C ATOM 0 H VAL A 63 5.398 -3.730 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 63 5.481 -5.547 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 63 7.804 -3.933 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.876 -4.055 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.404 -3.056 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.372 -4.710 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.064 -5.949 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.567 -6.683 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.728 -6.329 -3.534 1.00 0.00 H new ATOM 846 N ALA A 64 4.732 -3.666 -0.537 1.00 0.00 N ATOM 847 CA ALA A 64 4.134 -2.600 0.258 1.00 0.00 C ATOM 848 C ALA A 64 5.197 -1.635 0.770 1.00 0.00 C ATOM 849 O ALA A 64 6.226 -2.054 1.300 1.00 0.00 O ATOM 850 CB ALA A 64 3.347 -3.187 1.421 1.00 0.00 C ATOM 0 H ALA A 64 4.697 -4.588 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 64 3.452 -2.041 -0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.906 -2.380 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.556 -3.831 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.015 -3.771 2.054 1.00 0.00 H new ATOM 856 N ILE A 65 4.942 -0.341 0.608 1.00 0.00 N ATOM 857 CA ILE A 65 5.878 0.684 1.054 1.00 0.00 C ATOM 858 C ILE A 65 5.315 1.465 2.237 1.00 0.00 C ATOM 859 O ILE A 65 6.043 2.181 2.924 1.00 0.00 O ATOM 860 CB ILE A 65 6.219 1.668 -0.081 1.00 0.00 C ATOM 861 CG1 ILE A 65 4.938 2.223 -0.706 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.076 0.983 -1.135 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.190 3.242 -1.795 1.00 0.00 C ATOM 0 H ILE A 65 4.095 0.023 0.171 1.00 0.00 H new ATOM 0 HA ILE A 65 6.788 0.168 1.362 1.00 0.00 H new ATOM 0 HB ILE A 65 6.787 2.500 0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.358 1.398 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.331 2.680 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.309 1.691 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.002 0.632 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.532 0.135 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.238 3.592 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.744 4.086 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.771 2.783 -2.595 1.00 0.00 H new ATOM 875 N TYR A 66 4.015 1.320 2.469 1.00 0.00 N ATOM 876 CA TYR A 66 3.353 2.013 3.568 1.00 0.00 C ATOM 877 C TYR A 66 2.331 1.106 4.247 1.00 0.00 C ATOM 878 O TYR A 66 1.614 0.357 3.585 1.00 0.00 O ATOM 879 CB TYR A 66 2.668 3.282 3.061 1.00 0.00 C ATOM 880 CG TYR A 66 3.606 4.236 2.356 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.822 4.593 2.925 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.276 4.780 1.121 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.682 5.465 2.285 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.130 5.651 0.473 1.00 0.00 C ATOM 885 CZ TYR A 66 5.332 5.991 1.059 1.00 0.00 C ATOM 886 OH TYR A 66 6.186 6.859 0.418 1.00 0.00 O ATOM 0 H TYR A 66 3.399 0.729 1.911 1.00 0.00 H new ATOM 0 HA TYR A 66 4.112 2.287 4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.866 3.004 2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.205 3.796 3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.100 4.182 3.884 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.335 4.517 0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.623 5.733 2.742 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.858 6.064 -0.487 1.00 0.00 H new ATOM 0 HH TYR A 66 6.703 7.360 1.083 1.00 0.00 H new ATOM 896 N ASN A 67 2.270 1.181 5.572 1.00 0.00 N ATOM 897 CA ASN A 67 1.335 0.368 6.342 1.00 0.00 C ATOM 898 C ASN A 67 -0.106 0.779 6.057 1.00 0.00 C ATOM 899 O ASN A 67 -0.581 1.801 6.554 1.00 0.00 O ATOM 900 CB ASN A 67 1.628 0.495 7.838 1.00 0.00 C ATOM 901 CG ASN A 67 1.994 1.912 8.237 1.00 0.00 C ATOM 902 OD1 ASN A 67 3.192 2.082 8.783 1.00 0.00 O flip ATOM 903 ND2 ASN A 67 1.209 2.842 8.055 1.00 0.00 N flip ATOM 0 H ASN A 67 2.857 1.796 6.135 1.00 0.00 H new ATOM 0 HA ASN A 67 1.463 -0.672 6.041 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.754 0.175 8.405 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.444 -0.177 8.104 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.298 2.665 7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.469 3.790 8.327 1.00 0.00 H new ATOM 910 N PHE A 68 -0.798 -0.024 5.256 1.00 0.00 N ATOM 911 CA PHE A 68 -2.185 0.256 4.905 1.00 0.00 C ATOM 912 C PHE A 68 -3.140 -0.396 5.900 1.00 0.00 C ATOM 913 O PHE A 68 -2.915 -1.521 6.345 1.00 0.00 O ATOM 914 CB PHE A 68 -2.486 -0.242 3.490 1.00 0.00 C ATOM 915 CG PHE A 68 -3.903 0.003 3.057 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.261 1.198 2.453 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.878 -0.962 3.252 1.00 0.00 C ATOM 918 CE1 PHE A 68 -5.564 1.425 2.054 1.00 0.00 C ATOM 919 CE2 PHE A 68 -6.183 -0.740 2.855 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.526 0.455 2.255 1.00 0.00 C ATOM 0 H PHE A 68 -0.421 -0.874 4.838 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.332 1.335 4.941 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.810 0.249 2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.278 -1.311 3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.513 1.960 2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.615 -1.899 3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.830 2.361 1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.933 -1.500 3.014 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.545 0.631 1.943 1.00 0.00 H new ATOM 930 N GLN A 69 -4.207 0.319 6.243 1.00 0.00 N ATOM 931 CA GLN A 69 -5.196 -0.190 7.186 1.00 0.00 C ATOM 932 C GLN A 69 -6.606 -0.053 6.622 1.00 0.00 C ATOM 933 O GLN A 69 -7.130 1.052 6.496 1.00 0.00 O ATOM 934 CB GLN A 69 -5.092 0.555 8.518 1.00 0.00 C ATOM 935 CG GLN A 69 -5.302 2.055 8.394 1.00 0.00 C ATOM 936 CD GLN A 69 -4.707 2.826 9.556 1.00 0.00 C ATOM 937 OE1 GLN A 69 -3.722 3.547 9.399 1.00 0.00 O ATOM 938 NE2 GLN A 69 -5.305 2.678 10.733 1.00 0.00 N ATOM 0 H GLN A 69 -4.408 1.252 5.882 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.992 -1.248 7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.830 0.149 9.210 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.110 0.369 8.953 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.855 2.405 7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.370 2.265 8.333 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.119 2.070 10.818 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.950 3.172 11.551 1.00 0.00 H new ATOM 947 N GLY A 70 -7.216 -1.186 6.285 1.00 0.00 N ATOM 948 CA GLY A 70 -8.560 -1.171 5.738 1.00 0.00 C ATOM 949 C GLY A 70 -9.608 -1.551 6.765 1.00 0.00 C ATOM 950 O GLY A 70 -9.385 -1.418 7.969 1.00 0.00 O ATOM 0 H GLY A 70 -6.803 -2.114 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.780 -0.176 5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.614 -1.861 4.896 1.00 0.00 H new ATOM 954 N SER A 71 -10.756 -2.023 6.290 1.00 0.00 N ATOM 955 CA SER A 71 -11.845 -2.418 7.176 1.00 0.00 C ATOM 956 C SER A 71 -12.319 -3.833 6.856 1.00 0.00 C ATOM 957 O SER A 71 -12.507 -4.654 7.752 1.00 0.00 O ATOM 958 CB SER A 71 -13.012 -1.437 7.052 1.00 0.00 C ATOM 959 OG SER A 71 -12.746 -0.237 7.757 1.00 0.00 O ATOM 0 H SER A 71 -10.956 -2.141 5.297 1.00 0.00 H new ATOM 0 HA SER A 71 -11.472 -2.401 8.200 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.192 -1.213 6.001 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.921 -1.897 7.440 1.00 0.00 H new ATOM 0 HG SER A 71 -13.506 0.374 7.661 1.00 0.00 H new ATOM 965 N GLY A 72 -12.509 -4.110 5.569 1.00 0.00 N ATOM 966 CA GLY A 72 -12.960 -5.425 5.153 1.00 0.00 C ATOM 967 C GLY A 72 -13.106 -5.538 3.648 1.00 0.00 C ATOM 968 O GLY A 72 -13.240 -4.531 2.953 1.00 0.00 O ATOM 0 H GLY A 72 -12.359 -3.448 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.253 -6.176 5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.918 -5.644 5.625 1.00 0.00 H new ATOM 972 N ALA A 73 -13.077 -6.767 3.143 1.00 0.00 N ATOM 973 CA ALA A 73 -13.207 -7.008 1.712 1.00 0.00 C ATOM 974 C ALA A 73 -14.255 -6.088 1.093 1.00 0.00 C ATOM 975 O ALA A 73 -15.170 -5.611 1.764 1.00 0.00 O ATOM 976 CB ALA A 73 -13.562 -8.465 1.452 1.00 0.00 C ATOM 0 H ALA A 73 -12.965 -7.611 3.704 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.247 -6.790 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.656 -8.631 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.777 -9.108 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.508 -8.702 1.940 1.00 0.00 H new ATOM 982 N PRO A 74 -14.119 -5.831 -0.216 1.00 0.00 N ATOM 983 CA PRO A 74 -13.032 -6.393 -1.024 1.00 0.00 C ATOM 984 C PRO A 74 -11.675 -5.797 -0.666 1.00 0.00 C ATOM 985 O PRO A 74 -10.649 -6.193 -1.218 1.00 0.00 O ATOM 986 CB PRO A 74 -13.422 -6.014 -2.455 1.00 0.00 C ATOM 987 CG PRO A 74 -14.275 -4.802 -2.307 1.00 0.00 C ATOM 988 CD PRO A 74 -15.014 -4.972 -1.008 1.00 0.00 C ATOM 0 HA PRO A 74 -12.921 -7.466 -0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.542 -5.807 -3.063 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.965 -6.823 -2.945 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.668 -3.897 -2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.970 -4.709 -3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.190 -4.015 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.988 -5.437 -1.158 1.00 0.00 H new ATOM 996 N GLN A 75 -11.679 -4.844 0.260 1.00 0.00 N ATOM 997 CA GLN A 75 -10.447 -4.193 0.691 1.00 0.00 C ATOM 998 C GLN A 75 -9.563 -5.162 1.470 1.00 0.00 C ATOM 999 O GLN A 75 -10.060 -6.023 2.198 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.765 -2.970 1.551 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.776 -2.027 0.918 1.00 0.00 C ATOM 1002 CD GLN A 75 -12.581 -1.258 1.947 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -13.801 -1.136 1.833 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -11.901 -0.735 2.961 1.00 0.00 N ATOM 0 H GLN A 75 -12.521 -4.505 0.726 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.906 -3.871 -0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.147 -3.304 2.516 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.842 -2.423 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.254 -1.323 0.270 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.454 -2.599 0.285 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.890 -0.861 3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.390 -0.208 3.685 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.252 -5.017 1.312 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.299 -5.880 2.001 1.00 0.00 C ATOM 1015 C LEU A 76 -6.209 -5.055 2.679 1.00 0.00 C ATOM 1016 O LEU A 76 -5.781 -4.026 2.157 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.669 -6.866 1.016 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.359 -7.516 1.462 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -5.633 -8.699 2.376 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.541 -7.951 0.254 1.00 0.00 C ATOM 0 H LEU A 76 -7.825 -4.310 0.713 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.838 -6.436 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.392 -7.656 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.491 -6.345 0.075 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.782 -6.779 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.688 -9.148 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.177 -8.359 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.231 -9.439 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.612 -8.411 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.112 -8.672 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.313 -7.082 -0.363 1.00 0.00 H new ATOM 1032 N SER A 77 -5.765 -5.515 3.844 1.00 0.00 N ATOM 1033 CA SER A 77 -4.726 -4.819 4.594 1.00 0.00 C ATOM 1034 C SER A 77 -3.341 -5.175 4.063 1.00 0.00 C ATOM 1035 O SER A 77 -3.159 -6.202 3.407 1.00 0.00 O ATOM 1036 CB SER A 77 -4.820 -5.169 6.081 1.00 0.00 C ATOM 1037 OG SER A 77 -4.383 -6.496 6.321 1.00 0.00 O ATOM 0 H SER A 77 -6.108 -6.366 4.289 1.00 0.00 H new ATOM 0 HA SER A 77 -4.879 -3.747 4.469 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.214 -4.473 6.661 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.849 -5.055 6.420 1.00 0.00 H new ATOM 0 HG SER A 77 -4.451 -6.695 7.278 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.366 -4.320 4.350 1.00 0.00 N ATOM 1044 CA LEU A 78 -0.996 -4.542 3.902 1.00 0.00 C ATOM 1045 C LEU A 78 0.005 -4.040 4.938 1.00 0.00 C ATOM 1046 O LEU A 78 -0.302 -3.148 5.729 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.756 -3.842 2.563 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.353 -4.525 1.332 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -0.942 -3.793 0.064 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.924 -5.984 1.271 1.00 0.00 C ATOM 0 H LEU A 78 -2.499 -3.466 4.891 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.852 -5.615 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.162 -2.832 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.319 -3.745 2.414 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.440 -4.490 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.376 -4.293 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.300 -2.764 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.145 -3.796 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.358 -6.454 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.163 -6.042 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.269 -6.502 2.165 1.00 0.00 H new ATOM 1062 N GLN A 79 1.202 -4.617 4.926 1.00 0.00 N ATOM 1063 CA GLN A 79 2.247 -4.226 5.864 1.00 0.00 C ATOM 1064 C GLN A 79 3.554 -3.936 5.133 1.00 0.00 C ATOM 1065 O GLN A 79 3.989 -4.717 4.286 1.00 0.00 O ATOM 1066 CB GLN A 79 2.465 -5.325 6.905 1.00 0.00 C ATOM 1067 CG GLN A 79 1.438 -5.313 8.026 1.00 0.00 C ATOM 1068 CD GLN A 79 1.352 -6.641 8.753 1.00 0.00 C ATOM 1069 OE1 GLN A 79 1.258 -7.698 8.129 1.00 0.00 O ATOM 1070 NE2 GLN A 79 1.383 -6.593 10.080 1.00 0.00 N ATOM 0 H GLN A 79 1.472 -5.356 4.277 1.00 0.00 H new ATOM 0 HA GLN A 79 1.924 -3.316 6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.437 -6.295 6.408 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.461 -5.215 7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.693 -4.529 8.739 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.460 -5.064 7.615 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.462 -5.694 10.556 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.328 -7.455 10.623 1.00 0.00 H new ATOM 1079 N ILE A 80 4.175 -2.810 5.466 1.00 0.00 N ATOM 1080 CA ILE A 80 5.432 -2.418 4.841 1.00 0.00 C ATOM 1081 C ILE A 80 6.402 -3.593 4.773 1.00 0.00 C ATOM 1082 O ILE A 80 6.619 -4.290 5.763 1.00 0.00 O ATOM 1083 CB ILE A 80 6.101 -1.258 5.601 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.229 -0.003 5.531 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.485 -0.980 5.033 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.628 1.067 6.523 1.00 0.00 C ATOM 0 H ILE A 80 3.828 -2.153 6.165 1.00 0.00 H new ATOM 0 HA ILE A 80 5.192 -2.089 3.830 1.00 0.00 H new ATOM 0 HB ILE A 80 6.210 -1.544 6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.281 0.410 4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.190 -0.282 5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.945 -0.157 5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.104 -1.872 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.399 -0.711 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.967 1.927 6.416 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.549 0.672 7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.656 1.374 6.333 1.00 0.00 H new ATOM 1098 N GLY A 81 6.985 -3.805 3.597 1.00 0.00 N ATOM 1099 CA GLY A 81 7.926 -4.895 3.421 1.00 0.00 C ATOM 1100 C GLY A 81 7.242 -6.202 3.073 1.00 0.00 C ATOM 1101 O GLY A 81 7.834 -7.274 3.201 1.00 0.00 O ATOM 0 H GLY A 81 6.822 -3.241 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.632 -4.637 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.504 -5.023 4.336 1.00 0.00 H new ATOM 1105 N ASP A 82 5.991 -6.114 2.634 1.00 0.00 N ATOM 1106 CA ASP A 82 5.225 -7.299 2.268 1.00 0.00 C ATOM 1107 C ASP A 82 4.967 -7.336 0.764 1.00 0.00 C ATOM 1108 O ASP A 82 4.571 -6.335 0.167 1.00 0.00 O ATOM 1109 CB ASP A 82 3.897 -7.329 3.026 1.00 0.00 C ATOM 1110 CG ASP A 82 4.090 -7.419 4.527 1.00 0.00 C ATOM 1111 OD1 ASP A 82 5.049 -6.805 5.040 1.00 0.00 O ATOM 1112 OD2 ASP A 82 3.282 -8.103 5.190 1.00 0.00 O ATOM 0 H ASP A 82 5.486 -5.235 2.523 1.00 0.00 H new ATOM 0 HA ASP A 82 5.810 -8.178 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.326 -6.431 2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.307 -8.180 2.687 1.00 0.00 H new ATOM 1117 N VAL A 83 5.196 -8.497 0.158 1.00 0.00 N ATOM 1118 CA VAL A 83 4.989 -8.664 -1.275 1.00 0.00 C ATOM 1119 C VAL A 83 3.649 -9.333 -1.562 1.00 0.00 C ATOM 1120 O VAL A 83 3.282 -10.316 -0.918 1.00 0.00 O ATOM 1121 CB VAL A 83 6.114 -9.502 -1.911 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.848 -9.717 -3.393 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.463 -8.832 -1.695 1.00 0.00 C ATOM 0 H VAL A 83 5.525 -9.335 0.637 1.00 0.00 H new ATOM 0 HA VAL A 83 4.996 -7.666 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 83 6.136 -10.478 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.653 -10.311 -3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.901 -10.242 -3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.798 -8.752 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.247 -9.437 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.456 -7.843 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.654 -8.735 -0.626 1.00 0.00 H new ATOM 1133 N VAL A 84 2.921 -8.794 -2.535 1.00 0.00 N ATOM 1134 CA VAL A 84 1.621 -9.338 -2.909 1.00 0.00 C ATOM 1135 C VAL A 84 1.582 -9.699 -4.390 1.00 0.00 C ATOM 1136 O VAL A 84 2.109 -8.969 -5.231 1.00 0.00 O ATOM 1137 CB VAL A 84 0.486 -8.343 -2.604 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.497 -7.955 -1.134 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.605 -7.112 -3.490 1.00 0.00 C ATOM 0 H VAL A 84 3.210 -7.981 -3.079 1.00 0.00 H new ATOM 0 HA VAL A 84 1.472 -10.239 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.466 -8.827 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.312 -7.251 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.360 -8.846 -0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.451 -7.489 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.205 -6.419 -3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.562 -6.624 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.543 -7.410 -4.537 1.00 0.00 H new ATOM 1149 N ARG A 85 0.955 -10.828 -4.703 1.00 0.00 N ATOM 1150 CA ARG A 85 0.848 -11.285 -6.083 1.00 0.00 C ATOM 1151 C ARG A 85 -0.278 -10.558 -6.811 1.00 0.00 C ATOM 1152 O ARG A 85 -1.454 -10.876 -6.631 1.00 0.00 O ATOM 1153 CB ARG A 85 0.605 -12.795 -6.124 1.00 0.00 C ATOM 1154 CG ARG A 85 1.881 -13.619 -6.089 1.00 0.00 C ATOM 1155 CD ARG A 85 2.524 -13.712 -7.464 1.00 0.00 C ATOM 1156 NE ARG A 85 1.830 -14.662 -8.329 1.00 0.00 N ATOM 1157 CZ ARG A 85 1.867 -15.978 -8.153 1.00 0.00 C ATOM 1158 NH1 ARG A 85 2.560 -16.497 -7.148 1.00 0.00 N ATOM 1159 NH2 ARG A 85 1.209 -16.779 -8.982 1.00 0.00 N ATOM 0 H ARG A 85 0.513 -11.443 -4.020 1.00 0.00 H new ATOM 0 HA ARG A 85 1.788 -11.061 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.022 -13.076 -5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.049 -13.040 -7.029 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.585 -13.172 -5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.658 -14.621 -5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.523 -12.728 -7.932 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.566 -14.013 -7.357 1.00 0.00 H new ATOM 0 HE ARG A 85 1.287 -14.295 -9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.066 -15.885 -6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.587 -17.508 -7.015 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.674 -16.384 -9.755 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.238 -17.789 -8.846 1.00 0.00 H new ATOM 1173 N ILE A 86 0.090 -9.580 -7.633 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.889 -8.809 -8.388 1.00 0.00 C ATOM 1175 C ILE A 86 -1.552 -9.663 -9.463 1.00 0.00 C ATOM 1176 O ILE A 86 -0.893 -10.125 -10.395 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.245 -7.577 -9.051 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.279 -6.612 -7.986 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.247 -6.879 -9.959 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.289 -5.618 -8.514 1.00 0.00 C ATOM 0 H ILE A 86 1.059 -9.304 -7.792 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.644 -8.475 -7.676 1.00 0.00 H new ATOM 0 HB ILE A 86 0.597 -7.909 -9.659 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.562 -6.069 -7.555 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.735 -7.187 -7.180 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.777 -6.010 -10.420 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.576 -7.569 -10.736 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.107 -6.557 -9.372 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.616 -4.967 -7.704 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.148 -6.153 -8.919 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.832 -5.017 -9.300 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.858 -9.867 -9.328 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.610 -10.665 -10.289 1.00 0.00 C ATOM 1194 C GLN A 87 -4.381 -9.770 -11.255 1.00 0.00 C ATOM 1195 O GLN A 87 -4.528 -10.095 -12.432 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.576 -11.602 -9.562 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.895 -12.514 -8.554 1.00 0.00 C ATOM 1198 CD GLN A 87 -4.843 -13.537 -7.960 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -5.799 -13.187 -7.268 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -4.582 -14.812 -8.228 1.00 0.00 N ATOM 0 H GLN A 87 -3.417 -9.491 -8.563 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.900 -11.261 -10.862 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.330 -11.006 -9.049 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.099 -12.213 -10.297 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.066 -13.030 -9.039 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.469 -11.910 -7.753 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.778 -15.057 -8.806 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.185 -15.545 -7.855 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.871 -8.644 -10.747 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.628 -7.704 -11.565 1.00 0.00 C ATOM 1211 C GLU A 88 -5.420 -6.271 -11.082 1.00 0.00 C ATOM 1212 O GLU A 88 -4.780 -6.036 -10.056 1.00 0.00 O ATOM 1213 CB GLU A 88 -7.118 -8.052 -11.535 1.00 0.00 C ATOM 1214 CG GLU A 88 -7.537 -9.027 -12.622 1.00 0.00 C ATOM 1215 CD GLU A 88 -7.855 -8.337 -13.934 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -9.010 -7.894 -14.107 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -6.949 -8.241 -14.788 1.00 0.00 O ATOM 0 H GLU A 88 -4.758 -8.361 -9.774 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.265 -7.780 -12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.363 -8.478 -10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.699 -7.135 -11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.739 -9.752 -12.781 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.412 -9.584 -12.287 1.00 0.00 H new ATOM 1224 N THR A 89 -5.964 -5.316 -11.829 1.00 0.00 N ATOM 1225 CA THR A 89 -5.837 -3.907 -11.479 1.00 0.00 C ATOM 1226 C THR A 89 -7.119 -3.144 -11.794 1.00 0.00 C ATOM 1227 O THR A 89 -7.525 -3.045 -12.952 1.00 0.00 O ATOM 1228 CB THR A 89 -4.664 -3.246 -12.227 1.00 0.00 C ATOM 1229 OG1 THR A 89 -3.464 -4.001 -12.021 1.00 0.00 O ATOM 1230 CG2 THR A 89 -4.456 -1.815 -11.752 1.00 0.00 C ATOM 0 H THR A 89 -6.497 -5.493 -12.681 1.00 0.00 H new ATOM 0 HA THR A 89 -5.646 -3.864 -10.407 1.00 0.00 H new ATOM 0 HB THR A 89 -4.904 -3.228 -13.290 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.795 -3.438 -11.578 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.622 -1.369 -12.295 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.361 -1.235 -11.936 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.236 -1.814 -10.684 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.752 -2.607 -10.757 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.989 -1.853 -10.923 1.00 0.00 C ATOM 1240 C CYS A 90 -8.757 -0.366 -10.674 1.00 0.00 C ATOM 1241 O CYS A 90 -8.555 0.060 -9.538 1.00 0.00 O ATOM 1242 CB CYS A 90 -10.064 -2.380 -9.971 1.00 0.00 C ATOM 1243 SG CYS A 90 -9.586 -2.347 -8.227 1.00 0.00 S ATOM 0 H CYS A 90 -7.429 -2.680 -9.792 1.00 0.00 H new ATOM 0 HA CYS A 90 -9.329 -1.982 -11.951 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.970 -1.788 -10.100 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.311 -3.404 -10.250 1.00 0.00 H new ATOM 0 HG CYS A 90 -8.322 -2.058 -8.129 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.787 0.420 -11.747 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.577 1.850 -11.624 1.00 0.00 C ATOM 1251 C GLY A 91 -7.373 2.188 -10.767 1.00 0.00 C ATOM 1252 O GLY A 91 -6.270 1.701 -11.015 1.00 0.00 O ATOM 0 H GLY A 91 -8.953 0.091 -12.698 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.445 2.281 -12.616 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.467 2.309 -11.192 1.00 0.00 H new ATOM 1256 N ASP A 92 -7.584 3.024 -9.756 1.00 0.00 N ATOM 1257 CA ASP A 92 -6.507 3.427 -8.860 1.00 0.00 C ATOM 1258 C ASP A 92 -6.388 2.461 -7.685 1.00 0.00 C ATOM 1259 O ASP A 92 -6.207 2.878 -6.541 1.00 0.00 O ATOM 1260 CB ASP A 92 -6.748 4.847 -8.345 1.00 0.00 C ATOM 1261 CG ASP A 92 -6.568 5.893 -9.428 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -5.562 5.818 -10.165 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -7.433 6.787 -9.539 1.00 0.00 O ATOM 0 H ASP A 92 -8.491 3.436 -9.537 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.573 3.406 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.758 4.917 -7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.060 5.055 -7.525 1.00 0.00 H new ATOM 1268 N TRP A 93 -6.492 1.169 -7.976 1.00 0.00 N ATOM 1269 CA TRP A 93 -6.397 0.144 -6.943 1.00 0.00 C ATOM 1270 C TRP A 93 -5.967 -1.192 -7.540 1.00 0.00 C ATOM 1271 O TRP A 93 -6.463 -1.601 -8.590 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.738 -0.013 -6.226 1.00 0.00 C ATOM 1273 CG TRP A 93 -8.132 1.196 -5.431 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.627 2.372 -5.919 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -8.061 1.347 -4.009 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.868 3.245 -4.886 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.530 2.640 -3.704 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.649 0.516 -2.964 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.596 3.118 -2.398 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -7.714 0.993 -1.669 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.186 2.283 -1.395 1.00 0.00 C ATOM 0 H TRP A 93 -6.642 0.807 -8.918 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.642 0.459 -6.222 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.513 -0.223 -6.963 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.688 -0.875 -5.561 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.803 2.584 -6.963 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -9.239 4.190 -4.983 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.286 -0.481 -3.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.958 4.113 -2.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.395 0.360 -0.854 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.227 2.625 -0.371 1.00 0.00 H new ATOM 1292 N TYR A 94 -5.043 -1.866 -6.865 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.545 -3.155 -7.331 1.00 0.00 C ATOM 1294 C TYR A 94 -5.327 -4.302 -6.699 1.00 0.00 C ATOM 1295 O TYR A 94 -6.023 -4.118 -5.701 1.00 0.00 O ATOM 1296 CB TYR A 94 -3.057 -3.298 -7.007 1.00 0.00 C ATOM 1297 CG TYR A 94 -2.158 -2.492 -7.918 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -2.259 -2.601 -9.299 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -1.209 -1.621 -7.397 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -1.439 -1.868 -10.135 1.00 0.00 C ATOM 1301 CE2 TYR A 94 -0.387 -0.882 -8.225 1.00 0.00 C ATOM 1302 CZ TYR A 94 -0.505 -1.010 -9.593 1.00 0.00 C ATOM 1303 OH TYR A 94 0.312 -0.276 -10.423 1.00 0.00 O ATOM 0 H TYR A 94 -4.624 -1.542 -5.994 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.681 -3.199 -8.412 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.887 -2.988 -5.976 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.779 -4.350 -7.074 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.991 -3.270 -9.727 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.113 -1.520 -6.326 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.529 -1.966 -11.207 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.344 -0.208 -7.804 1.00 0.00 H new ATOM 0 HH TYR A 94 0.912 0.280 -9.883 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.206 -5.487 -7.288 1.00 0.00 N ATOM 1314 CA ARG A 95 -5.902 -6.666 -6.784 1.00 0.00 C ATOM 1315 C ARG A 95 -4.918 -7.796 -6.496 1.00 0.00 C ATOM 1316 O ARG A 95 -3.792 -7.795 -6.993 1.00 0.00 O ATOM 1317 CB ARG A 95 -6.953 -7.134 -7.792 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.344 -6.585 -7.521 1.00 0.00 C ATOM 1319 CD ARG A 95 -9.423 -7.568 -7.945 1.00 0.00 C ATOM 1320 NE ARG A 95 -9.589 -8.650 -6.978 1.00 0.00 N ATOM 1321 CZ ARG A 95 -9.001 -9.835 -7.092 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -8.211 -10.090 -8.126 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -9.201 -10.768 -6.170 1.00 0.00 N ATOM 0 H ARG A 95 -4.633 -5.657 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.399 -6.394 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.642 -6.835 -8.793 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.993 -8.223 -7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.449 -6.364 -6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.476 -5.645 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.369 -7.039 -8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.169 -7.988 -8.918 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.190 -8.486 -6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.054 -9.375 -8.836 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.761 -11.001 -8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.807 -10.575 -5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.749 -11.678 -6.259 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.352 -8.760 -5.690 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.497 -9.883 -5.350 1.00 0.00 C ATOM 1339 C GLY A 96 -4.625 -10.289 -3.895 1.00 0.00 C ATOM 1340 O GLY A 96 -5.681 -10.116 -3.286 1.00 0.00 O ATOM 0 H GLY A 96 -6.280 -8.784 -5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.749 -10.733 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.460 -9.623 -5.562 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.549 -10.831 -3.337 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.547 -11.267 -1.945 1.00 0.00 C ATOM 1346 C TYR A 97 -2.126 -11.314 -1.391 1.00 0.00 C ATOM 1347 O TYR A 97 -1.155 -11.120 -2.124 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.201 -12.644 -1.820 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.541 -13.708 -2.667 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.222 -14.083 -2.442 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.235 -14.337 -3.693 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.614 -15.054 -3.214 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.636 -15.311 -4.469 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.325 -15.665 -4.226 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.724 -16.633 -4.998 1.00 0.00 O ATOM 0 H TYR A 97 -2.667 -10.979 -3.827 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.120 -10.545 -1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.175 -12.955 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.251 -12.565 -2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.663 -13.607 -1.650 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.261 -14.060 -3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.588 -15.333 -3.026 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.191 -15.792 -5.261 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.362 -16.963 -5.665 1.00 0.00 H new ATOM 1365 N LEU A 98 -2.013 -11.574 -0.094 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.711 -11.648 0.561 1.00 0.00 C ATOM 1367 C LEU A 98 -0.032 -12.983 0.274 1.00 0.00 C ATOM 1368 O LEU A 98 -0.518 -14.038 0.682 1.00 0.00 O ATOM 1369 CB LEU A 98 -0.866 -11.455 2.071 1.00 0.00 C ATOM 1370 CG LEU A 98 0.317 -10.806 2.789 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.690 -9.491 2.123 1.00 0.00 C ATOM 1372 CD2 LEU A 98 -0.007 -10.587 4.260 1.00 0.00 C ATOM 0 H LEU A 98 -2.807 -11.737 0.526 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.085 -10.850 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.752 -10.846 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.051 -12.429 2.525 1.00 0.00 H new ATOM 0 HG LEU A 98 1.172 -11.479 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.534 -9.044 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.965 -9.674 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.161 -8.811 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.846 -10.124 4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.876 -9.934 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.224 -11.546 4.731 1.00 0.00 H new ATOM 1384 N ILE A 99 1.094 -12.929 -0.429 1.00 0.00 N ATOM 1385 CA ILE A 99 1.841 -14.134 -0.768 1.00 0.00 C ATOM 1386 C ILE A 99 2.259 -14.893 0.488 1.00 0.00 C ATOM 1387 O ILE A 99 2.141 -16.116 0.555 1.00 0.00 O ATOM 1388 CB ILE A 99 3.097 -13.804 -1.596 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.725 -12.947 -2.808 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.792 -15.083 -2.038 1.00 0.00 C ATOM 1391 CD1 ILE A 99 3.923 -12.417 -3.564 1.00 0.00 C ATOM 0 H ILE A 99 1.509 -12.064 -0.775 1.00 0.00 H new ATOM 0 HA ILE A 99 1.177 -14.760 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 99 3.787 -13.237 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.110 -13.539 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.115 -12.107 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.678 -14.833 -2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.087 -15.659 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.110 -15.675 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.584 -11.819 -4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.527 -11.798 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.522 -13.252 -3.927 1.00 0.00 H new ATOM 1403 N LYS A 100 2.746 -14.158 1.482 1.00 0.00 N ATOM 1404 CA LYS A 100 3.178 -14.759 2.738 1.00 0.00 C ATOM 1405 C LYS A 100 1.992 -15.344 3.498 1.00 0.00 C ATOM 1406 O LYS A 100 2.166 -16.101 4.453 1.00 0.00 O ATOM 1407 CB LYS A 100 3.892 -13.720 3.605 1.00 0.00 C ATOM 1408 CG LYS A 100 3.118 -12.422 3.760 1.00 0.00 C ATOM 1409 CD LYS A 100 3.736 -11.528 4.822 1.00 0.00 C ATOM 1410 CE LYS A 100 4.985 -10.830 4.305 1.00 0.00 C ATOM 1411 NZ LYS A 100 6.196 -11.686 4.441 1.00 0.00 N ATOM 0 H LYS A 100 2.851 -13.144 1.442 1.00 0.00 H new ATOM 0 HA LYS A 100 3.871 -15.567 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.073 -14.145 4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.867 -13.502 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.096 -11.894 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.084 -12.643 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.007 -10.783 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.988 -12.124 5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.845 -10.563 3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.134 -9.900 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.984 -11.116 4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.997 -12.467 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.453 -12.074 3.511 1.00 0.00 H new ATOM 1425 N HIS A 101 0.786 -14.988 3.067 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.430 -15.480 3.707 1.00 0.00 C ATOM 1427 C HIS A 101 -1.616 -15.403 2.751 1.00 0.00 C ATOM 1428 O HIS A 101 -2.146 -14.323 2.487 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.727 -14.675 4.972 1.00 0.00 C ATOM 1430 CG HIS A 101 0.256 -14.911 6.077 1.00 0.00 C ATOM 1431 ND1 HIS A 101 1.364 -14.222 6.439 1.00 0.00 N flip ATOM 1432 CD2 HIS A 101 0.158 -15.966 6.960 1.00 0.00 C flip ATOM 1433 CE1 HIS A 101 1.908 -14.866 7.523 1.00 0.00 C flip ATOM 1434 NE2 HIS A 101 1.161 -15.914 7.818 1.00 0.00 N flip ATOM 0 H HIS A 101 0.624 -14.362 2.278 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.272 -16.524 3.978 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.734 -13.614 4.724 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.727 -14.926 5.326 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -0.618 -16.717 6.951 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.802 -14.564 8.049 1.00 0.00 H new ATOM 0 HE2 HIS A 101 1.330 -16.572 8.579 1.00 0.00 H new ATOM 1443 N LYS A 102 -2.029 -16.555 2.233 1.00 0.00 N ATOM 1444 CA LYS A 102 -3.152 -16.620 1.307 1.00 0.00 C ATOM 1445 C LYS A 102 -4.478 -16.642 2.060 1.00 0.00 C ATOM 1446 O LYS A 102 -5.538 -16.838 1.465 1.00 0.00 O ATOM 1447 CB LYS A 102 -3.037 -17.861 0.419 1.00 0.00 C ATOM 1448 CG LYS A 102 -2.020 -17.717 -0.699 1.00 0.00 C ATOM 1449 CD LYS A 102 -2.401 -18.551 -1.911 1.00 0.00 C ATOM 1450 CE LYS A 102 -1.180 -18.924 -2.737 1.00 0.00 C ATOM 1451 NZ LYS A 102 -0.240 -19.795 -1.978 1.00 0.00 N ATOM 0 H LYS A 102 -1.601 -17.458 2.440 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.125 -15.729 0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.765 -18.716 1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.013 -18.079 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.941 -16.669 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.037 -18.023 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.911 -19.457 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.104 -17.994 -2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.499 -19.438 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.662 -18.017 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.289 -20.396 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.426 -19.203 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.777 -20.395 -1.320 1.00 0.00 H new ATOM 1465 N MET A 103 -4.412 -16.437 3.372 1.00 0.00 N ATOM 1466 CA MET A 103 -5.609 -16.431 4.205 1.00 0.00 C ATOM 1467 C MET A 103 -6.342 -15.099 4.093 1.00 0.00 C ATOM 1468 O MET A 103 -7.464 -14.953 4.580 1.00 0.00 O ATOM 1469 CB MET A 103 -5.241 -16.703 5.665 1.00 0.00 C ATOM 1470 CG MET A 103 -4.541 -18.035 5.877 1.00 0.00 C ATOM 1471 SD MET A 103 -2.750 -17.915 5.703 1.00 0.00 S ATOM 1472 CE MET A 103 -2.439 -19.210 4.506 1.00 0.00 C ATOM 0 H MET A 103 -3.543 -16.273 3.880 1.00 0.00 H new ATOM 0 HA MET A 103 -6.272 -17.221 3.852 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.595 -15.901 6.024 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.147 -16.678 6.270 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.781 -18.413 6.871 1.00 0.00 H new ATOM 0 HG3 MET A 103 -4.924 -18.760 5.159 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.371 -19.261 4.294 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.775 -20.166 4.908 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.982 -18.993 3.586 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.703 -14.128 3.449 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.295 -12.807 3.274 1.00 0.00 C ATOM 1484 C LEU A 104 -6.174 -12.344 1.825 1.00 0.00 C ATOM 1485 O LEU A 104 -5.096 -12.400 1.235 1.00 0.00 O ATOM 1486 CB LEU A 104 -5.619 -11.796 4.202 1.00 0.00 C ATOM 1487 CG LEU A 104 -5.077 -12.352 5.519 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.685 -12.932 5.320 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -5.057 -11.269 6.588 1.00 0.00 C ATOM 0 H LEU A 104 -4.775 -14.231 3.039 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.353 -12.874 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.795 -11.330 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.336 -11.007 4.431 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.738 -13.152 5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.315 -13.323 6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.728 -13.738 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.013 -12.152 4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.668 -11.683 7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.419 -10.448 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.069 -10.899 6.750 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.287 -11.886 1.261 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.304 -11.413 -0.118 1.00 0.00 C ATOM 1503 C GLN A 105 -8.238 -10.216 -0.271 1.00 0.00 C ATOM 1504 O GLN A 105 -9.207 -10.073 0.474 1.00 0.00 O ATOM 1505 CB GLN A 105 -7.739 -12.537 -1.060 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.134 -13.888 -0.715 1.00 0.00 C ATOM 1507 CD GLN A 105 -7.602 -14.991 -1.643 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -8.797 -15.271 -1.739 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -6.660 -15.626 -2.331 1.00 0.00 N ATOM 0 H GLN A 105 -8.188 -11.833 1.737 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.294 -11.099 -0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.826 -12.618 -1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.460 -12.273 -2.080 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.047 -13.817 -0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.394 -14.147 0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.681 -15.361 -2.220 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.915 -16.379 -2.970 1.00 0.00 H new ATOM 1518 N GLY A 106 -7.938 -9.358 -1.241 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.760 -8.185 -1.474 1.00 0.00 C ATOM 1520 C GLY A 106 -8.106 -7.196 -2.418 1.00 0.00 C ATOM 1521 O GLY A 106 -7.416 -7.591 -3.360 1.00 0.00 O ATOM 0 H GLY A 106 -7.140 -9.454 -1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.721 -8.494 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.964 -7.694 -0.523 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.322 -5.909 -2.169 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.749 -4.863 -3.005 1.00 0.00 C ATOM 1527 C ILE A 107 -6.938 -3.876 -2.172 1.00 0.00 C ATOM 1528 O ILE A 107 -7.182 -3.708 -0.977 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.840 -4.093 -3.773 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.882 -3.537 -2.800 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.500 -4.997 -4.804 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.831 -2.545 -3.434 1.00 0.00 C ATOM 0 H ILE A 107 -8.890 -5.566 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.092 -5.357 -3.721 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.375 -3.257 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.458 -4.364 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.369 -3.056 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.269 -4.439 -5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.750 -5.350 -5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.955 -5.851 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.542 -2.193 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.265 -1.699 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.371 -3.028 -4.249 1.00 0.00 H new ATOM 1544 N PHE A 108 -5.972 -3.224 -2.811 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.125 -2.252 -2.130 1.00 0.00 C ATOM 1546 C PHE A 108 -4.759 -1.101 -3.062 1.00 0.00 C ATOM 1547 O PHE A 108 -4.839 -1.210 -4.286 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.853 -2.928 -1.612 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.418 -4.102 -2.440 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -3.950 -5.361 -2.215 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -2.477 -3.947 -3.445 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -3.551 -6.444 -2.976 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -2.073 -5.026 -4.210 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.612 -6.276 -3.975 1.00 0.00 C ATOM 0 H PHE A 108 -5.756 -3.351 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.684 -1.848 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.047 -2.195 -1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.019 -3.258 -0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.685 -5.498 -1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.054 -2.971 -3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -3.973 -7.420 -2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.338 -4.892 -4.989 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.300 -7.121 -4.571 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.348 0.030 -2.471 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.961 1.224 -3.229 1.00 0.00 C ATOM 1566 C PRO A 109 -2.653 1.030 -3.988 1.00 0.00 C ATOM 1567 O PRO A 109 -1.724 0.393 -3.493 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.797 2.294 -2.146 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.481 1.532 -0.905 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.228 0.231 -1.017 1.00 0.00 C ATOM 0 HA PRO A 109 -4.697 1.479 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.998 2.992 -2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.708 2.881 -2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.408 1.360 -0.815 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.791 2.085 -0.018 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.685 -0.586 -0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.205 0.286 -0.537 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.588 1.584 -5.194 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.393 1.474 -6.023 1.00 0.00 C ATOM 1580 C LYS A 110 -0.273 2.359 -5.484 1.00 0.00 C ATOM 1581 O LYS A 110 0.901 2.142 -5.784 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.713 1.862 -7.469 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.881 1.093 -8.061 1.00 0.00 C ATOM 1584 CD LYS A 110 -3.472 1.813 -9.261 1.00 0.00 C ATOM 1585 CE LYS A 110 -2.486 1.869 -10.418 1.00 0.00 C ATOM 1586 NZ LYS A 110 -2.516 0.623 -11.234 1.00 0.00 N ATOM 0 H LYS A 110 -3.349 2.114 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 110 -1.057 0.437 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.933 2.929 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.829 1.695 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.549 0.099 -8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.651 0.957 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.381 1.304 -9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.757 2.825 -8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.719 2.724 -11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.479 2.025 -10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.830 0.701 -12.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.269 -0.190 -10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.470 0.487 -11.626 1.00 0.00 H new ATOM 1600 N SER A 111 -0.644 3.354 -4.686 1.00 0.00 N ATOM 1601 CA SER A 111 0.329 4.273 -4.107 1.00 0.00 C ATOM 1602 C SER A 111 1.088 3.609 -2.962 1.00 0.00 C ATOM 1603 O SER A 111 2.029 4.181 -2.411 1.00 0.00 O ATOM 1604 CB SER A 111 -0.368 5.539 -3.604 1.00 0.00 C ATOM 1605 OG SER A 111 -0.945 6.263 -4.677 1.00 0.00 O ATOM 0 H SER A 111 -1.611 3.545 -4.425 1.00 0.00 H new ATOM 0 HA SER A 111 1.042 4.545 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.141 5.271 -2.884 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.350 6.170 -3.080 1.00 0.00 H new ATOM 0 HG SER A 111 -1.386 7.067 -4.330 1.00 0.00 H new ATOM 1611 N PHE A 112 0.672 2.397 -2.609 1.00 0.00 N ATOM 1612 CA PHE A 112 1.312 1.654 -1.529 1.00 0.00 C ATOM 1613 C PHE A 112 2.063 0.443 -2.073 1.00 0.00 C ATOM 1614 O PHE A 112 2.844 -0.188 -1.360 1.00 0.00 O ATOM 1615 CB PHE A 112 0.268 1.203 -0.505 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.361 2.339 0.250 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -1.054 3.334 -0.420 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.259 2.412 1.630 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.633 4.381 0.272 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.837 3.456 2.328 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.525 4.441 1.647 1.00 0.00 C ATOM 0 H PHE A 112 -0.105 1.909 -3.055 1.00 0.00 H new ATOM 0 HA PHE A 112 2.029 2.315 -1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.513 0.641 -1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.737 0.521 0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.143 3.291 -1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.278 1.644 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.169 5.151 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.751 3.501 3.404 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.978 5.257 2.190 1.00 0.00 H new ATOM 1631 N ILE A 113 1.820 0.123 -3.340 1.00 0.00 N ATOM 1632 CA ILE A 113 2.474 -1.011 -3.980 1.00 0.00 C ATOM 1633 C ILE A 113 3.639 -0.555 -4.852 1.00 0.00 C ATOM 1634 O ILE A 113 3.514 0.395 -5.626 1.00 0.00 O ATOM 1635 CB ILE A 113 1.486 -1.816 -4.844 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.341 -2.354 -3.982 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.205 -2.956 -5.550 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.808 -3.200 -2.818 1.00 0.00 C ATOM 0 H ILE A 113 1.175 0.633 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 113 2.850 -1.650 -3.181 1.00 0.00 H new ATOM 0 HB ILE A 113 1.066 -1.154 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.241 -1.515 -3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.326 -2.947 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.493 -3.515 -6.157 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.988 -2.551 -6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.650 -3.620 -4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.056 -3.547 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.365 -4.059 -3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.451 -2.604 -2.170 1.00 0.00 H new ATOM 1650 N HIS A 114 4.772 -1.238 -4.722 1.00 0.00 N ATOM 1651 CA HIS A 114 5.960 -0.905 -5.500 1.00 0.00 C ATOM 1652 C HIS A 114 6.300 -2.024 -6.479 1.00 0.00 C ATOM 1653 O HIS A 114 6.858 -3.051 -6.092 1.00 0.00 O ATOM 1654 CB HIS A 114 7.146 -0.645 -4.572 1.00 0.00 C ATOM 1655 CG HIS A 114 8.381 -0.194 -5.290 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.439 0.968 -6.030 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.609 -0.756 -5.377 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.649 1.101 -6.542 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.379 0.068 -6.161 1.00 0.00 N ATOM 0 H HIS A 114 4.892 -2.026 -4.085 1.00 0.00 H new ATOM 0 HA HIS A 114 5.749 -0.000 -6.070 1.00 0.00 H new ATOM 0 HB2 HIS A 114 6.865 0.112 -3.840 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.370 -1.557 -4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 114 9.925 -1.680 -4.916 1.00 0.00 H new ATOM 0 HE1 HIS A 114 9.985 1.916 -7.166 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.355 -0.092 -6.409 1.00 0.00 H new ATOM 1668 N ILE A 115 5.959 -1.819 -7.747 1.00 0.00 N ATOM 1669 CA ILE A 115 6.229 -2.811 -8.780 1.00 0.00 C ATOM 1670 C ILE A 115 7.728 -3.008 -8.974 1.00 0.00 C ATOM 1671 O ILE A 115 8.400 -2.181 -9.591 1.00 0.00 O ATOM 1672 CB ILE A 115 5.597 -2.408 -10.126 1.00 0.00 C ATOM 1673 CG1 ILE A 115 4.112 -2.089 -9.941 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.783 -3.516 -11.151 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.269 -3.302 -9.617 1.00 0.00 C ATOM 0 H ILE A 115 5.495 -0.975 -8.083 1.00 0.00 H new ATOM 0 HA ILE A 115 5.782 -3.747 -8.444 1.00 0.00 H new ATOM 0 HB ILE A 115 6.099 -1.513 -10.493 1.00 0.00 H new ATOM 0 HG12 ILE A 115 4.003 -1.357 -9.141 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.732 -1.625 -10.851 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.331 -3.216 -12.097 1.00 0.00 H new ATOM 0 HG22 ILE A 115 6.847 -3.700 -11.299 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.304 -4.427 -10.793 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.228 -3.001 -9.499 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.348 -4.027 -10.427 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.623 -3.754 -8.690 1.00 0.00 H new ATOM 1687 N LYS A 116 8.248 -4.111 -8.446 1.00 0.00 N ATOM 1688 CA LYS A 116 9.668 -4.421 -8.562 1.00 0.00 C ATOM 1689 C LYS A 116 10.107 -4.414 -10.023 1.00 0.00 C ATOM 1690 O LYS A 116 9.499 -5.072 -10.866 1.00 0.00 O ATOM 1691 CB LYS A 116 9.966 -5.784 -7.935 1.00 0.00 C ATOM 1692 CG LYS A 116 9.502 -5.905 -6.494 1.00 0.00 C ATOM 1693 CD LYS A 116 10.587 -5.476 -5.520 1.00 0.00 C ATOM 1694 CE LYS A 116 11.643 -6.558 -5.350 1.00 0.00 C ATOM 1695 NZ LYS A 116 12.967 -5.986 -4.979 1.00 0.00 N ATOM 0 H LYS A 116 7.706 -4.806 -7.933 1.00 0.00 H new ATOM 0 HA LYS A 116 10.228 -3.653 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.485 -6.561 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.039 -5.968 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.614 -5.291 -6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.215 -6.936 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.057 -4.560 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.140 -5.248 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.323 -7.261 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.738 -7.122 -6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.660 -6.754 -4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.285 -5.334 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.882 -5.469 -4.081 1.00 0.00 H new ATOM 1709 N GLU A 117 11.169 -3.668 -10.314 1.00 0.00 N ATOM 1710 CA GLU A 117 11.689 -3.578 -11.673 1.00 0.00 C ATOM 1711 C GLU A 117 13.152 -4.010 -11.725 1.00 0.00 C ATOM 1712 O GLU A 117 14.059 -3.187 -11.600 1.00 0.00 O ATOM 1713 CB GLU A 117 11.549 -2.149 -12.202 1.00 0.00 C ATOM 1714 CG GLU A 117 10.108 -1.684 -12.324 1.00 0.00 C ATOM 1715 CD GLU A 117 9.990 -0.304 -12.941 1.00 0.00 C ATOM 1716 OE1 GLU A 117 10.492 0.663 -12.330 1.00 0.00 O ATOM 1717 OE2 GLU A 117 9.397 -0.191 -14.034 1.00 0.00 O ATOM 0 H GLU A 117 11.685 -3.118 -9.627 1.00 0.00 H new ATOM 0 HA GLU A 117 11.107 -4.250 -12.303 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.086 -1.471 -11.539 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.027 -2.084 -13.179 1.00 0.00 H new ATOM 0 HG2 GLU A 117 9.550 -2.398 -12.930 1.00 0.00 H new ATOM 0 HG3 GLU A 117 9.648 -1.677 -11.336 1.00 0.00 H new ATOM 1724 N VAL A 118 13.373 -5.308 -11.910 1.00 0.00 N ATOM 1725 CA VAL A 118 14.724 -5.851 -11.979 1.00 0.00 C ATOM 1726 C VAL A 118 15.264 -5.800 -13.404 1.00 0.00 C ATOM 1727 O VAL A 118 16.476 -5.751 -13.620 1.00 0.00 O ATOM 1728 CB VAL A 118 14.771 -7.305 -11.475 1.00 0.00 C ATOM 1729 CG1 VAL A 118 14.732 -7.346 -9.955 1.00 0.00 C ATOM 1730 CG2 VAL A 118 13.625 -8.111 -12.068 1.00 0.00 C ATOM 0 H VAL A 118 12.633 -6.003 -12.015 1.00 0.00 H new ATOM 0 HA VAL A 118 15.348 -5.231 -11.335 1.00 0.00 H new ATOM 0 HB VAL A 118 15.709 -7.754 -11.802 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.766 -8.382 -9.618 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.590 -6.806 -9.554 1.00 0.00 H new ATOM 0 HG13 VAL A 118 13.812 -6.880 -9.602 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.673 -9.136 -11.701 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.675 -7.665 -11.773 1.00 0.00 H new ATOM 0 HG23 VAL A 118 13.704 -8.110 -13.155 1.00 0.00 H new ATOM 1740 N THR A 119 14.357 -5.812 -14.376 1.00 0.00 N ATOM 1741 CA THR A 119 14.742 -5.768 -15.781 1.00 0.00 C ATOM 1742 C THR A 119 14.012 -4.649 -16.516 1.00 0.00 C ATOM 1743 O THR A 119 12.787 -4.667 -16.635 1.00 0.00 O ATOM 1744 CB THR A 119 14.449 -7.106 -16.485 1.00 0.00 C ATOM 1745 OG1 THR A 119 15.153 -8.168 -15.832 1.00 0.00 O ATOM 1746 CG2 THR A 119 14.855 -7.047 -17.950 1.00 0.00 C ATOM 0 H THR A 119 13.350 -5.852 -14.216 1.00 0.00 H new ATOM 0 HA THR A 119 15.815 -5.578 -15.810 1.00 0.00 H new ATOM 0 HB THR A 119 13.377 -7.293 -16.429 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.960 -9.015 -16.285 1.00 0.00 H new ATOM 0 HG21 THR A 119 14.639 -8.003 -18.426 1.00 0.00 H new ATOM 0 HG22 THR A 119 14.295 -6.257 -18.451 1.00 0.00 H new ATOM 0 HG23 THR A 119 15.922 -6.838 -18.024 1.00 0.00 H new TER 1754 THR A 119