USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 807 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 48 CYS SG : rot -110:sc= -0.217 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.132 USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 21 THR OG1 : rot 166:sc= -2.01 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -1.42 USER MOD Set 4.1: A 9 THR OG1 : rot 80:sc= -0.838 USER MOD Set 4.2: A 87 ASN : amide:sc= -1.28 K(o=-2.1,f=-8.7!) USER MOD Single : A 1 GLY N :NH3+ 146:sc= 0.0136 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 44:sc= 0.678 USER MOD Single : A 10 SER OG : rot 180:sc= -1.33 USER MOD Single : A 13 GLN : amide:sc= -0.0116 K(o=-0.012,f=-0.96) USER MOD Single : A 14 HIS : no HD1:sc= -0.847 X(o=-0.85,f=-0.85) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 7:sc= 0.781 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -112:sc= -1.16 USER MOD Single : A 47 TYR OH : rot 180:sc=-0.00976 USER MOD Single : A 59 ASN : amide:sc= -0.864 K(o=-0.86,f=-15!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot -74:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -27:sc= 0.935 USER MOD Single : A 92 SER OG : rot -150:sc= -0.29 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0784 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -8:sc= 0.649 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0169 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.599 36.252 4.256 1.00 0.00 N ATOM 2 CA GLY A 1 1.893 35.016 3.552 1.00 0.00 C ATOM 3 C GLY A 1 1.578 33.799 4.424 1.00 0.00 C ATOM 4 O GLY A 1 1.859 33.800 5.622 1.00 0.00 O ATOM 0 H1 GLY A 1 2.283 36.983 3.974 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.637 36.567 4.018 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.667 36.092 5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.309 34.970 2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.944 34.999 3.264 1.00 0.00 H new ATOM 8 N SER A 2 0.997 32.791 3.790 1.00 0.00 N ATOM 9 CA SER A 2 0.641 31.570 4.494 1.00 0.00 C ATOM 10 C SER A 2 1.288 30.364 3.811 1.00 0.00 C ATOM 11 O SER A 2 1.020 30.090 2.642 1.00 0.00 O ATOM 12 CB SER A 2 -0.878 31.394 4.555 1.00 0.00 C ATOM 13 OG SER A 2 -1.319 31.023 5.858 1.00 0.00 O ATOM 0 H SER A 2 0.764 32.794 2.797 1.00 0.00 H new ATOM 0 HA SER A 2 1.013 31.643 5.516 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.363 32.324 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.184 30.632 3.838 1.00 0.00 H new ATOM 0 HG SER A 2 -2.294 30.922 5.857 1.00 0.00 H new ATOM 19 N SER A 3 2.129 29.675 4.569 1.00 0.00 N ATOM 20 CA SER A 3 2.817 28.505 4.051 1.00 0.00 C ATOM 21 C SER A 3 1.799 27.486 3.534 1.00 0.00 C ATOM 22 O SER A 3 0.604 27.606 3.802 1.00 0.00 O ATOM 23 CB SER A 3 3.706 27.870 5.122 1.00 0.00 C ATOM 24 OG SER A 3 2.949 27.131 6.075 1.00 0.00 O ATOM 0 H SER A 3 2.349 29.905 5.538 1.00 0.00 H new ATOM 0 HA SER A 3 3.456 28.821 3.227 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.432 27.211 4.646 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.270 28.650 5.633 1.00 0.00 H new ATOM 0 HG SER A 3 3.553 26.740 6.740 1.00 0.00 H new ATOM 30 N GLY A 4 2.309 26.506 2.802 1.00 0.00 N ATOM 31 CA GLY A 4 1.460 25.467 2.246 1.00 0.00 C ATOM 32 C GLY A 4 1.813 24.099 2.831 1.00 0.00 C ATOM 33 O GLY A 4 2.988 23.760 2.963 1.00 0.00 O ATOM 0 H GLY A 4 3.300 26.410 2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.415 25.697 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.572 25.443 1.162 1.00 0.00 H new ATOM 37 N SER A 5 0.773 23.348 3.167 1.00 0.00 N ATOM 38 CA SER A 5 0.959 22.024 3.735 1.00 0.00 C ATOM 39 C SER A 5 0.374 20.966 2.797 1.00 0.00 C ATOM 40 O SER A 5 -0.616 21.217 2.113 1.00 0.00 O ATOM 41 CB SER A 5 0.312 21.923 5.118 1.00 0.00 C ATOM 42 OG SER A 5 1.210 21.391 6.089 1.00 0.00 O ATOM 0 H SER A 5 -0.200 23.632 3.056 1.00 0.00 H new ATOM 0 HA SER A 5 2.028 21.847 3.850 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.022 22.911 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.574 21.291 5.059 1.00 0.00 H new ATOM 0 HG SER A 5 0.761 21.344 6.959 1.00 0.00 H new ATOM 48 N SER A 6 1.013 19.805 2.796 1.00 0.00 N ATOM 49 CA SER A 6 0.568 18.707 1.954 1.00 0.00 C ATOM 50 C SER A 6 1.266 17.411 2.372 1.00 0.00 C ATOM 51 O SER A 6 2.312 17.062 1.828 1.00 0.00 O ATOM 52 CB SER A 6 0.838 19.003 0.477 1.00 0.00 C ATOM 53 OG SER A 6 2.219 19.243 0.224 1.00 0.00 O ATOM 0 H SER A 6 1.835 19.601 3.365 1.00 0.00 H new ATOM 0 HA SER A 6 -0.508 18.590 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.499 18.163 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.257 19.872 0.169 1.00 0.00 H new ATOM 0 HG SER A 6 2.759 18.582 0.704 1.00 0.00 H new ATOM 59 N GLY A 7 0.658 16.734 3.335 1.00 0.00 N ATOM 60 CA GLY A 7 1.208 15.484 3.832 1.00 0.00 C ATOM 61 C GLY A 7 0.978 14.348 2.833 1.00 0.00 C ATOM 62 O GLY A 7 0.382 14.556 1.777 1.00 0.00 O ATOM 0 H GLY A 7 -0.210 17.027 3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.276 15.600 4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.745 15.233 4.786 1.00 0.00 H new ATOM 66 N PRO A 8 1.475 13.140 3.212 1.00 0.00 N ATOM 67 CA PRO A 8 1.330 11.971 2.362 1.00 0.00 C ATOM 68 C PRO A 8 -0.103 11.435 2.407 1.00 0.00 C ATOM 69 O PRO A 8 -0.749 11.468 3.453 1.00 0.00 O ATOM 70 CB PRO A 8 2.353 10.976 2.883 1.00 0.00 C ATOM 71 CG PRO A 8 2.708 11.439 4.286 1.00 0.00 C ATOM 72 CD PRO A 8 2.186 12.857 4.455 1.00 0.00 C ATOM 0 HA PRO A 8 1.509 12.191 1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.943 9.966 2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.236 10.953 2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.264 10.778 5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.787 11.409 4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.523 12.935 5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.001 13.563 4.615 1.00 0.00 H new ATOM 80 N THR A 9 -0.556 10.952 1.260 1.00 0.00 N ATOM 81 CA THR A 9 -1.900 10.409 1.155 1.00 0.00 C ATOM 82 C THR A 9 -2.177 9.444 2.310 1.00 0.00 C ATOM 83 O THR A 9 -1.280 9.132 3.092 1.00 0.00 O ATOM 84 CB THR A 9 -2.043 9.762 -0.224 1.00 0.00 C ATOM 85 OG1 THR A 9 -0.895 8.925 -0.335 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.880 10.771 -1.363 1.00 0.00 C ATOM 0 H THR A 9 -0.016 10.925 0.395 1.00 0.00 H new ATOM 0 HA THR A 9 -2.651 11.194 1.241 1.00 0.00 H new ATOM 0 HB THR A 9 -3.019 9.282 -0.301 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.049 8.092 0.158 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.990 10.261 -2.320 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.642 11.545 -1.275 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.891 11.227 -1.307 1.00 0.00 H new ATOM 94 N SER A 10 -3.423 8.999 2.381 1.00 0.00 N ATOM 95 CA SER A 10 -3.829 8.076 3.428 1.00 0.00 C ATOM 96 C SER A 10 -3.310 6.671 3.117 1.00 0.00 C ATOM 97 O SER A 10 -3.334 6.237 1.966 1.00 0.00 O ATOM 98 CB SER A 10 -5.351 8.057 3.585 1.00 0.00 C ATOM 99 OG SER A 10 -5.965 7.106 2.720 1.00 0.00 O ATOM 0 H SER A 10 -4.165 9.260 1.731 1.00 0.00 H new ATOM 0 HA SER A 10 -3.398 8.415 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.606 7.824 4.619 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.750 9.049 3.374 1.00 0.00 H new ATOM 0 HG SER A 10 -6.936 7.123 2.851 1.00 0.00 H new ATOM 105 N ALA A 11 -2.852 5.999 4.163 1.00 0.00 N ATOM 106 CA ALA A 11 -2.328 4.652 4.016 1.00 0.00 C ATOM 107 C ALA A 11 -3.296 3.822 3.171 1.00 0.00 C ATOM 108 O ALA A 11 -4.469 4.170 3.042 1.00 0.00 O ATOM 109 CB ALA A 11 -2.092 4.042 5.399 1.00 0.00 C ATOM 0 H ALA A 11 -2.833 6.362 5.116 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.369 4.668 3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.699 3.031 5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.375 4.652 5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.034 4.007 5.947 1.00 0.00 H new ATOM 115 N PRO A 12 -2.756 2.712 2.601 1.00 0.00 N ATOM 116 CA PRO A 12 -3.558 1.830 1.771 1.00 0.00 C ATOM 117 C PRO A 12 -4.497 0.976 2.627 1.00 0.00 C ATOM 118 O PRO A 12 -4.340 0.906 3.845 1.00 0.00 O ATOM 119 CB PRO A 12 -2.552 1.003 0.987 1.00 0.00 C ATOM 120 CG PRO A 12 -1.237 1.124 1.740 1.00 0.00 C ATOM 121 CD PRO A 12 -1.370 2.269 2.731 1.00 0.00 C ATOM 0 HA PRO A 12 -4.218 2.374 1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.869 -0.038 0.920 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.453 1.373 -0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.008 0.194 2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.417 1.312 1.047 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.153 1.940 3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.673 3.075 2.501 1.00 0.00 H new ATOM 129 N GLN A 13 -5.451 0.348 1.955 1.00 0.00 N ATOM 130 CA GLN A 13 -6.414 -0.498 2.639 1.00 0.00 C ATOM 131 C GLN A 13 -6.919 -1.594 1.698 1.00 0.00 C ATOM 132 O GLN A 13 -6.682 -1.540 0.492 1.00 0.00 O ATOM 133 CB GLN A 13 -7.577 0.330 3.191 1.00 0.00 C ATOM 134 CG GLN A 13 -7.869 1.533 2.292 1.00 0.00 C ATOM 135 CD GLN A 13 -9.319 1.995 2.449 1.00 0.00 C ATOM 136 OE1 GLN A 13 -10.022 1.616 3.371 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.725 2.834 1.500 1.00 0.00 N ATOM 0 H GLN A 13 -5.577 0.408 0.945 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.916 -0.973 3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.467 -0.294 3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.338 0.673 4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.194 2.351 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.678 1.269 1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.085 3.111 0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.677 3.201 1.516 1.00 0.00 H new ATOM 146 N HIS A 14 -7.607 -2.563 2.285 1.00 0.00 N ATOM 147 CA HIS A 14 -8.147 -3.670 1.514 1.00 0.00 C ATOM 148 C HIS A 14 -7.000 -4.496 0.930 1.00 0.00 C ATOM 149 O HIS A 14 -7.135 -5.079 -0.145 1.00 0.00 O ATOM 150 CB HIS A 14 -9.119 -3.164 0.446 1.00 0.00 C ATOM 151 CG HIS A 14 -10.496 -2.837 0.973 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.596 -3.646 0.749 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.938 -1.783 1.717 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.648 -3.093 1.334 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.238 -1.938 1.933 1.00 0.00 N ATOM 0 H HIS A 14 -7.803 -2.604 3.285 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.724 -4.326 2.166 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.699 -2.273 -0.020 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.210 -3.919 -0.335 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.333 -0.961 2.070 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.653 -3.487 1.336 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.833 -1.299 2.460 1.00 0.00 H new ATOM 163 N LEU A 15 -5.897 -4.521 1.663 1.00 0.00 N ATOM 164 CA LEU A 15 -4.728 -5.267 1.231 1.00 0.00 C ATOM 165 C LEU A 15 -4.827 -6.705 1.742 1.00 0.00 C ATOM 166 O LEU A 15 -4.693 -6.953 2.940 1.00 0.00 O ATOM 167 CB LEU A 15 -3.446 -4.549 1.659 1.00 0.00 C ATOM 168 CG LEU A 15 -2.133 -5.231 1.269 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.784 -4.952 -0.194 1.00 0.00 C ATOM 170 CD2 LEU A 15 -1.002 -4.824 2.215 1.00 0.00 C ATOM 0 H LEU A 15 -5.788 -4.036 2.554 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.690 -5.318 0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.454 -3.547 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.463 -4.431 2.742 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.265 -6.308 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.847 -5.448 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.579 -5.331 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.678 -3.878 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.080 -5.323 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.861 -3.744 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.257 -5.115 3.234 1.00 0.00 H new ATOM 182 N THR A 16 -5.062 -7.616 0.810 1.00 0.00 N ATOM 183 CA THR A 16 -5.182 -9.024 1.151 1.00 0.00 C ATOM 184 C THR A 16 -4.501 -9.890 0.089 1.00 0.00 C ATOM 185 O THR A 16 -4.140 -9.399 -0.979 1.00 0.00 O ATOM 186 CB THR A 16 -6.667 -9.341 1.334 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.315 -8.564 0.331 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.226 -8.793 2.649 1.00 0.00 C ATOM 0 H THR A 16 -5.173 -7.407 -0.182 1.00 0.00 H new ATOM 0 HA THR A 16 -4.669 -9.250 2.086 1.00 0.00 H new ATOM 0 HB THR A 16 -6.814 -10.421 1.299 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.283 -8.711 0.377 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.283 -9.046 2.728 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.684 -9.233 3.486 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.110 -7.709 2.670 1.00 0.00 H new ATOM 196 N VAL A 17 -4.347 -11.163 0.420 1.00 0.00 N ATOM 197 CA VAL A 17 -3.716 -12.102 -0.492 1.00 0.00 C ATOM 198 C VAL A 17 -4.790 -12.770 -1.353 1.00 0.00 C ATOM 199 O VAL A 17 -5.647 -13.487 -0.838 1.00 0.00 O ATOM 200 CB VAL A 17 -2.870 -13.107 0.294 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.349 -14.217 -0.620 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.719 -12.406 1.018 1.00 0.00 C ATOM 0 H VAL A 17 -4.648 -11.567 1.307 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.036 -11.581 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.509 -13.567 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.751 -14.918 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.191 -14.744 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.733 -13.781 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.134 -13.142 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.081 -11.907 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.121 -11.669 1.713 1.00 0.00 H new ATOM 212 N GLU A 18 -4.709 -12.510 -2.650 1.00 0.00 N ATOM 213 CA GLU A 18 -5.664 -13.076 -3.587 1.00 0.00 C ATOM 214 C GLU A 18 -5.255 -14.501 -3.965 1.00 0.00 C ATOM 215 O GLU A 18 -6.092 -15.402 -4.003 1.00 0.00 O ATOM 216 CB GLU A 18 -5.798 -12.196 -4.832 1.00 0.00 C ATOM 217 CG GLU A 18 -6.468 -10.864 -4.491 1.00 0.00 C ATOM 218 CD GLU A 18 -7.790 -11.086 -3.754 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.741 -11.545 -4.421 1.00 0.00 O ATOM 220 OE2 GLU A 18 -7.818 -10.793 -2.539 1.00 0.00 O ATOM 0 H GLU A 18 -3.997 -11.915 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.640 -13.115 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.812 -12.013 -5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.382 -12.718 -5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.800 -10.265 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.648 -10.299 -5.406 1.00 0.00 H new ATOM 227 N ASP A 19 -3.968 -14.662 -4.236 1.00 0.00 N ATOM 228 CA ASP A 19 -3.437 -15.962 -4.609 1.00 0.00 C ATOM 229 C ASP A 19 -1.993 -16.080 -4.117 1.00 0.00 C ATOM 230 O ASP A 19 -1.353 -15.074 -3.816 1.00 0.00 O ATOM 231 CB ASP A 19 -3.436 -16.140 -6.129 1.00 0.00 C ATOM 232 CG ASP A 19 -3.303 -17.586 -6.610 1.00 0.00 C ATOM 233 OD1 ASP A 19 -2.146 -18.046 -6.715 1.00 0.00 O ATOM 234 OD2 ASP A 19 -4.363 -18.200 -6.862 1.00 0.00 O ATOM 0 H ASP A 19 -3.277 -13.913 -4.205 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.068 -16.727 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.360 -15.723 -6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.616 -15.557 -6.548 1.00 0.00 H new ATOM 239 N VAL A 20 -1.523 -17.316 -4.052 1.00 0.00 N ATOM 240 CA VAL A 20 -0.167 -17.578 -3.602 1.00 0.00 C ATOM 241 C VAL A 20 0.453 -18.672 -4.475 1.00 0.00 C ATOM 242 O VAL A 20 -0.236 -19.601 -4.895 1.00 0.00 O ATOM 243 CB VAL A 20 -0.168 -17.931 -2.113 1.00 0.00 C ATOM 244 CG1 VAL A 20 1.240 -18.290 -1.634 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.757 -16.790 -1.281 1.00 0.00 C ATOM 0 H VAL A 20 -2.057 -18.148 -4.304 1.00 0.00 H new ATOM 0 HA VAL A 20 0.450 -16.686 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.801 -18.807 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.211 -18.537 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.608 -19.148 -2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.905 -17.441 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.746 -17.066 -0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.162 -15.889 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.783 -16.602 -1.597 1.00 0.00 H new ATOM 255 N THR A 21 1.747 -18.526 -4.721 1.00 0.00 N ATOM 256 CA THR A 21 2.467 -19.489 -5.536 1.00 0.00 C ATOM 257 C THR A 21 3.537 -20.198 -4.703 1.00 0.00 C ATOM 258 O THR A 21 3.452 -20.232 -3.476 1.00 0.00 O ATOM 259 CB THR A 21 3.033 -18.752 -6.751 1.00 0.00 C ATOM 260 OG1 THR A 21 2.616 -17.402 -6.563 1.00 0.00 O ATOM 261 CG2 THR A 21 2.357 -19.172 -8.058 1.00 0.00 C ATOM 0 H THR A 21 2.315 -17.755 -4.370 1.00 0.00 H new ATOM 0 HA THR A 21 1.804 -20.276 -5.895 1.00 0.00 H new ATOM 0 HB THR A 21 4.105 -18.937 -6.821 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.121 -16.817 -7.166 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.796 -18.619 -8.889 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.503 -20.241 -8.216 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.290 -18.956 -8.002 1.00 0.00 H new ATOM 269 N ASP A 22 4.519 -20.747 -5.402 1.00 0.00 N ATOM 270 CA ASP A 22 5.604 -21.454 -4.743 1.00 0.00 C ATOM 271 C ASP A 22 6.747 -20.476 -4.463 1.00 0.00 C ATOM 272 O ASP A 22 7.444 -20.603 -3.458 1.00 0.00 O ATOM 273 CB ASP A 22 6.148 -22.577 -5.627 1.00 0.00 C ATOM 274 CG ASP A 22 5.084 -23.390 -6.367 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.457 -22.809 -7.279 1.00 0.00 O ATOM 276 OD2 ASP A 22 4.921 -24.575 -6.004 1.00 0.00 O ATOM 0 H ASP A 22 4.586 -20.717 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 22 5.216 -21.881 -3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.829 -22.144 -6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.736 -23.254 -5.007 1.00 0.00 H new ATOM 281 N THR A 23 6.904 -19.524 -5.371 1.00 0.00 N ATOM 282 CA THR A 23 7.951 -18.525 -5.234 1.00 0.00 C ATOM 283 C THR A 23 7.409 -17.135 -5.572 1.00 0.00 C ATOM 284 O THR A 23 8.179 -16.204 -5.804 1.00 0.00 O ATOM 285 CB THR A 23 9.127 -18.950 -6.116 1.00 0.00 C ATOM 286 OG1 THR A 23 8.509 -19.504 -7.275 1.00 0.00 O ATOM 287 CG2 THR A 23 9.915 -20.118 -5.520 1.00 0.00 C ATOM 0 H THR A 23 6.324 -19.423 -6.204 1.00 0.00 H new ATOM 0 HA THR A 23 8.304 -18.460 -4.205 1.00 0.00 H new ATOM 0 HB THR A 23 9.794 -18.101 -6.265 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.200 -19.804 -7.902 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.738 -20.379 -6.186 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.313 -19.830 -4.547 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.257 -20.979 -5.402 1.00 0.00 H new ATOM 295 N THR A 24 6.088 -17.038 -5.588 1.00 0.00 N ATOM 296 CA THR A 24 5.434 -15.777 -5.894 1.00 0.00 C ATOM 297 C THR A 24 4.142 -15.637 -5.086 1.00 0.00 C ATOM 298 O THR A 24 3.653 -16.611 -4.517 1.00 0.00 O ATOM 299 CB THR A 24 5.215 -15.711 -7.406 1.00 0.00 C ATOM 300 OG1 THR A 24 4.869 -17.047 -7.765 1.00 0.00 O ATOM 301 CG2 THR A 24 6.511 -15.443 -8.175 1.00 0.00 C ATOM 0 H THR A 24 5.453 -17.812 -5.394 1.00 0.00 H new ATOM 0 HA THR A 24 6.055 -14.929 -5.605 1.00 0.00 H new ATOM 0 HB THR A 24 4.490 -14.930 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.708 -17.095 -8.730 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.299 -15.406 -9.244 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.933 -14.490 -7.856 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.225 -16.242 -7.974 1.00 0.00 H new ATOM 309 N THR A 25 3.626 -14.416 -5.063 1.00 0.00 N ATOM 310 CA THR A 25 2.400 -14.136 -4.335 1.00 0.00 C ATOM 311 C THR A 25 1.681 -12.931 -4.944 1.00 0.00 C ATOM 312 O THR A 25 2.319 -12.039 -5.500 1.00 0.00 O ATOM 313 CB THR A 25 2.759 -13.947 -2.859 1.00 0.00 C ATOM 314 OG1 THR A 25 2.917 -15.275 -2.367 1.00 0.00 O ATOM 315 CG2 THR A 25 1.596 -13.382 -2.041 1.00 0.00 C ATOM 0 H THR A 25 4.035 -13.610 -5.537 1.00 0.00 H new ATOM 0 HA THR A 25 1.697 -14.966 -4.410 1.00 0.00 H new ATOM 0 HB THR A 25 3.618 -13.280 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.859 -15.909 -3.112 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.904 -13.268 -1.002 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.307 -12.411 -2.443 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.748 -14.064 -2.095 1.00 0.00 H new ATOM 323 N THR A 26 0.362 -12.944 -4.819 1.00 0.00 N ATOM 324 CA THR A 26 -0.451 -11.864 -5.351 1.00 0.00 C ATOM 325 C THR A 26 -0.984 -10.988 -4.216 1.00 0.00 C ATOM 326 O THR A 26 -1.185 -11.466 -3.100 1.00 0.00 O ATOM 327 CB THR A 26 -1.555 -12.482 -6.211 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.849 -13.185 -7.231 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.362 -11.429 -6.974 1.00 0.00 C ATOM 0 H THR A 26 -0.164 -13.686 -4.357 1.00 0.00 H new ATOM 0 HA THR A 26 0.139 -11.200 -5.982 1.00 0.00 H new ATOM 0 HB THR A 26 -2.225 -13.064 -5.578 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.490 -13.618 -7.833 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.132 -11.921 -7.568 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.831 -10.746 -6.265 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.698 -10.869 -7.632 1.00 0.00 H new ATOM 337 N LEU A 27 -1.197 -9.721 -4.538 1.00 0.00 N ATOM 338 CA LEU A 27 -1.702 -8.774 -3.559 1.00 0.00 C ATOM 339 C LEU A 27 -2.719 -7.848 -4.229 1.00 0.00 C ATOM 340 O LEU A 27 -2.611 -7.559 -5.420 1.00 0.00 O ATOM 341 CB LEU A 27 -0.546 -8.033 -2.884 1.00 0.00 C ATOM 342 CG LEU A 27 0.452 -8.903 -2.118 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.785 -8.175 -1.933 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.137 -9.368 -0.784 1.00 0.00 C ATOM 0 H LEU A 27 -1.029 -9.328 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.225 -9.296 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.002 -7.477 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.964 -7.301 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 27 0.652 -9.796 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.476 -8.816 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.207 -7.936 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.622 -7.254 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.593 -9.985 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.384 -8.500 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.039 -9.951 -0.968 1.00 0.00 H new ATOM 356 N LYS A 28 -3.685 -7.408 -3.435 1.00 0.00 N ATOM 357 CA LYS A 28 -4.720 -6.521 -3.936 1.00 0.00 C ATOM 358 C LYS A 28 -5.126 -5.543 -2.832 1.00 0.00 C ATOM 359 O LYS A 28 -5.618 -5.956 -1.782 1.00 0.00 O ATOM 360 CB LYS A 28 -5.889 -7.328 -4.504 1.00 0.00 C ATOM 361 CG LYS A 28 -6.247 -6.857 -5.915 1.00 0.00 C ATOM 362 CD LYS A 28 -7.605 -7.413 -6.350 1.00 0.00 C ATOM 363 CE LYS A 28 -8.400 -6.366 -7.132 1.00 0.00 C ATOM 364 NZ LYS A 28 -8.483 -6.740 -8.562 1.00 0.00 N ATOM 0 H LYS A 28 -3.772 -7.650 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.342 -5.925 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.629 -8.386 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.756 -7.226 -3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.270 -5.768 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.477 -7.178 -6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.458 -8.299 -6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.172 -7.725 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.403 -6.276 -6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.924 -5.390 -7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.026 -6.019 -9.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.524 -6.803 -8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.957 -7.661 -8.653 1.00 0.00 H new ATOM 378 N TRP A 29 -4.906 -4.266 -3.106 1.00 0.00 N ATOM 379 CA TRP A 29 -5.243 -3.226 -2.149 1.00 0.00 C ATOM 380 C TRP A 29 -6.152 -2.215 -2.849 1.00 0.00 C ATOM 381 O TRP A 29 -6.378 -2.309 -4.055 1.00 0.00 O ATOM 382 CB TRP A 29 -3.981 -2.590 -1.563 1.00 0.00 C ATOM 383 CG TRP A 29 -3.195 -1.735 -2.559 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.515 -0.525 -3.040 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.939 -2.076 -3.181 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.559 -0.063 -3.922 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.571 -1.036 -4.011 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.139 -3.224 -3.047 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.395 -1.042 -4.771 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.032 -3.214 -3.814 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.417 -2.176 -4.654 1.00 0.00 C ATOM 0 H TRP A 29 -4.498 -3.928 -3.978 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.780 -3.645 -1.298 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.261 -1.971 -0.710 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.331 -3.379 -1.185 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.408 0.019 -2.771 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.575 0.829 -4.417 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.407 -4.049 -2.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.129 -0.216 -5.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.682 -4.074 -3.748 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.338 -2.244 -5.214 1.00 0.00 H new ATOM 402 N ARG A 30 -6.650 -1.270 -2.064 1.00 0.00 N ATOM 403 CA ARG A 30 -7.529 -0.243 -2.595 1.00 0.00 C ATOM 404 C ARG A 30 -6.883 1.137 -2.447 1.00 0.00 C ATOM 405 O ARG A 30 -6.025 1.335 -1.589 1.00 0.00 O ATOM 406 CB ARG A 30 -8.878 -0.246 -1.873 1.00 0.00 C ATOM 407 CG ARG A 30 -9.694 -1.487 -2.241 1.00 0.00 C ATOM 408 CD ARG A 30 -10.782 -1.145 -3.261 1.00 0.00 C ATOM 409 NE ARG A 30 -10.202 -1.093 -4.621 1.00 0.00 N ATOM 410 CZ ARG A 30 -10.927 -0.989 -5.743 1.00 0.00 C ATOM 411 NH1 ARG A 30 -12.264 -0.925 -5.674 1.00 0.00 N ATOM 412 NH2 ARG A 30 -10.316 -0.948 -6.935 1.00 0.00 N ATOM 0 H ARG A 30 -6.461 -1.195 -1.064 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.693 -0.460 -3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.718 -0.218 -0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.437 0.652 -2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.034 -2.252 -2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.150 -1.906 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.575 -1.892 -3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.236 -0.185 -3.013 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.187 -1.139 -4.710 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.730 -0.955 -4.767 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.816 -0.846 -6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.299 -0.996 -6.988 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.868 -0.869 -7.789 1.00 0.00 H new ATOM 426 N PRO A 31 -7.333 2.078 -3.320 1.00 0.00 N ATOM 427 CA PRO A 31 -6.808 3.433 -3.295 1.00 0.00 C ATOM 428 C PRO A 31 -7.370 4.216 -2.107 1.00 0.00 C ATOM 429 O PRO A 31 -8.437 3.888 -1.591 1.00 0.00 O ATOM 430 CB PRO A 31 -7.197 4.030 -4.638 1.00 0.00 C ATOM 431 CG PRO A 31 -8.318 3.155 -5.174 1.00 0.00 C ATOM 432 CD PRO A 31 -8.348 1.878 -4.350 1.00 0.00 C ATOM 0 HA PRO A 31 -5.727 3.464 -3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.527 5.063 -4.525 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.348 4.040 -5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.274 3.675 -5.107 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.153 2.926 -6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.332 1.714 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.123 1.005 -4.963 1.00 0.00 H new ATOM 440 N PRO A 32 -6.606 5.264 -1.698 1.00 0.00 N ATOM 441 CA PRO A 32 -7.016 6.098 -0.580 1.00 0.00 C ATOM 442 C PRO A 32 -8.152 7.039 -0.986 1.00 0.00 C ATOM 443 O PRO A 32 -8.510 7.115 -2.160 1.00 0.00 O ATOM 444 CB PRO A 32 -5.756 6.835 -0.156 1.00 0.00 C ATOM 445 CG PRO A 32 -4.802 6.742 -1.335 1.00 0.00 C ATOM 446 CD PRO A 32 -5.336 5.682 -2.285 1.00 0.00 C ATOM 0 HA PRO A 32 -7.421 5.520 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.975 7.875 0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.321 6.383 0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.726 7.704 -1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.800 6.480 -0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.477 6.084 -3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.645 4.844 -2.372 1.00 0.00 H new ATOM 454 N ASP A 33 -8.686 7.733 0.008 1.00 0.00 N ATOM 455 CA ASP A 33 -9.773 8.667 -0.231 1.00 0.00 C ATOM 456 C ASP A 33 -9.257 10.098 -0.066 1.00 0.00 C ATOM 457 O ASP A 33 -9.724 11.012 -0.744 1.00 0.00 O ATOM 458 CB ASP A 33 -10.910 8.456 0.771 1.00 0.00 C ATOM 459 CG ASP A 33 -12.279 8.960 0.311 1.00 0.00 C ATOM 460 OD1 ASP A 33 -12.296 9.989 -0.400 1.00 0.00 O ATOM 461 OD2 ASP A 33 -13.279 8.307 0.680 1.00 0.00 O ATOM 0 H ASP A 33 -8.386 7.667 0.981 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.146 8.499 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.987 7.391 0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.650 8.957 1.704 1.00 0.00 H new ATOM 466 N ARG A 34 -8.301 10.247 0.839 1.00 0.00 N ATOM 467 CA ARG A 34 -7.716 11.551 1.102 1.00 0.00 C ATOM 468 C ARG A 34 -6.439 11.736 0.280 1.00 0.00 C ATOM 469 O ARG A 34 -5.335 11.608 0.806 1.00 0.00 O ATOM 470 CB ARG A 34 -7.387 11.718 2.587 1.00 0.00 C ATOM 471 CG ARG A 34 -8.557 12.357 3.339 1.00 0.00 C ATOM 472 CD ARG A 34 -8.170 13.731 3.888 1.00 0.00 C ATOM 473 NE ARG A 34 -8.416 13.781 5.347 1.00 0.00 N ATOM 474 CZ ARG A 34 -7.896 14.706 6.165 1.00 0.00 C ATOM 475 NH1 ARG A 34 -7.099 15.664 5.673 1.00 0.00 N ATOM 476 NH2 ARG A 34 -8.174 14.673 7.476 1.00 0.00 N ATOM 0 H ARG A 34 -7.917 9.486 1.399 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.448 12.306 0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.157 10.746 3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.497 12.337 2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.413 12.456 2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.866 11.708 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.119 13.931 3.681 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.747 14.508 3.387 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.019 13.067 5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.888 15.689 4.675 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.703 16.368 6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.781 13.944 7.850 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.778 15.377 8.099 1.00 0.00 H new ATOM 490 N ILE A 35 -6.633 12.033 -0.997 1.00 0.00 N ATOM 491 CA ILE A 35 -5.511 12.237 -1.896 1.00 0.00 C ATOM 492 C ILE A 35 -5.323 13.736 -2.139 1.00 0.00 C ATOM 493 O ILE A 35 -4.289 14.301 -1.784 1.00 0.00 O ATOM 494 CB ILE A 35 -5.699 11.425 -3.179 1.00 0.00 C ATOM 495 CG1 ILE A 35 -5.880 9.938 -2.866 1.00 0.00 C ATOM 496 CG2 ILE A 35 -4.546 11.668 -4.156 1.00 0.00 C ATOM 497 CD1 ILE A 35 -5.507 9.074 -4.072 1.00 0.00 C ATOM 0 H ILE A 35 -7.551 12.137 -1.430 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.589 11.869 -1.445 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.612 11.765 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.260 9.664 -2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.915 9.746 -2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.704 11.079 -5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.505 12.726 -4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.606 11.372 -3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.645 8.022 -3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.145 9.333 -4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.465 9.250 -4.338 1.00 0.00 H new ATOM 509 N GLY A 36 -6.337 14.337 -2.743 1.00 0.00 N ATOM 510 CA GLY A 36 -6.296 15.759 -3.038 1.00 0.00 C ATOM 511 C GLY A 36 -5.543 16.028 -4.342 1.00 0.00 C ATOM 512 O GLY A 36 -5.638 15.249 -5.290 1.00 0.00 O ATOM 0 H GLY A 36 -7.192 13.865 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.312 16.148 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.812 16.290 -2.218 1.00 0.00 H new ATOM 516 N ALA A 37 -4.811 17.132 -4.348 1.00 0.00 N ATOM 517 CA ALA A 37 -4.041 17.513 -5.521 1.00 0.00 C ATOM 518 C ALA A 37 -2.743 16.704 -5.558 1.00 0.00 C ATOM 519 O ALA A 37 -2.398 16.032 -4.587 1.00 0.00 O ATOM 520 CB ALA A 37 -3.787 19.021 -5.497 1.00 0.00 C ATOM 0 H ALA A 37 -4.734 17.775 -3.560 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.595 17.290 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.210 19.307 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.740 19.551 -5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.230 19.282 -4.597 1.00 0.00 H new ATOM 526 N GLY A 38 -2.059 16.795 -6.689 1.00 0.00 N ATOM 527 CA GLY A 38 -0.806 16.080 -6.866 1.00 0.00 C ATOM 528 C GLY A 38 -1.057 14.631 -7.289 1.00 0.00 C ATOM 529 O GLY A 38 -0.723 14.241 -8.406 1.00 0.00 O ATOM 0 H GLY A 38 -2.349 17.353 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.199 16.583 -7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.238 16.098 -5.936 1.00 0.00 H new ATOM 533 N GLY A 39 -1.643 13.874 -6.374 1.00 0.00 N ATOM 534 CA GLY A 39 -1.943 12.477 -6.638 1.00 0.00 C ATOM 535 C GLY A 39 -0.825 11.569 -6.120 1.00 0.00 C ATOM 536 O GLY A 39 0.329 11.985 -6.039 1.00 0.00 O ATOM 0 H GLY A 39 -1.918 14.202 -5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.886 12.207 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.073 12.325 -7.710 1.00 0.00 H new ATOM 540 N ILE A 40 -1.208 10.346 -5.783 1.00 0.00 N ATOM 541 CA ILE A 40 -0.253 9.376 -5.275 1.00 0.00 C ATOM 542 C ILE A 40 0.590 8.842 -6.435 1.00 0.00 C ATOM 543 O ILE A 40 0.055 8.489 -7.485 1.00 0.00 O ATOM 544 CB ILE A 40 -0.971 8.283 -4.481 1.00 0.00 C ATOM 545 CG1 ILE A 40 0.030 7.283 -3.898 1.00 0.00 C ATOM 546 CG2 ILE A 40 -2.037 7.595 -5.336 1.00 0.00 C ATOM 547 CD1 ILE A 40 -0.553 6.574 -2.674 1.00 0.00 C ATOM 0 H ILE A 40 -2.167 10.005 -5.852 1.00 0.00 H new ATOM 0 HA ILE A 40 0.434 9.848 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.485 8.751 -3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.297 6.547 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.947 7.802 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.532 6.822 -4.748 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.773 8.330 -5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.567 7.141 -6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.179 5.869 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.797 7.311 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.457 6.036 -2.961 1.00 0.00 H new ATOM 559 N ASP A 41 1.894 8.799 -6.206 1.00 0.00 N ATOM 560 CA ASP A 41 2.816 8.314 -7.219 1.00 0.00 C ATOM 561 C ASP A 41 2.595 6.814 -7.427 1.00 0.00 C ATOM 562 O ASP A 41 2.603 6.333 -8.559 1.00 0.00 O ATOM 563 CB ASP A 41 4.269 8.521 -6.786 1.00 0.00 C ATOM 564 CG ASP A 41 5.289 8.522 -7.926 1.00 0.00 C ATOM 565 OD1 ASP A 41 5.188 7.614 -8.779 1.00 0.00 O ATOM 566 OD2 ASP A 41 6.148 9.430 -7.918 1.00 0.00 O ATOM 0 H ASP A 41 2.334 9.092 -5.334 1.00 0.00 H new ATOM 0 HA ASP A 41 2.630 8.870 -8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.342 9.469 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.537 7.736 -6.079 1.00 0.00 H new ATOM 571 N GLY A 42 2.402 6.117 -6.317 1.00 0.00 N ATOM 572 CA GLY A 42 2.179 4.682 -6.363 1.00 0.00 C ATOM 573 C GLY A 42 2.275 4.067 -4.966 1.00 0.00 C ATOM 574 O GLY A 42 1.885 4.692 -3.980 1.00 0.00 O ATOM 0 H GLY A 42 2.395 6.520 -5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.196 4.477 -6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.914 4.217 -7.020 1.00 0.00 H new ATOM 578 N TYR A 43 2.795 2.849 -4.925 1.00 0.00 N ATOM 579 CA TYR A 43 2.947 2.142 -3.664 1.00 0.00 C ATOM 580 C TYR A 43 4.225 1.300 -3.658 1.00 0.00 C ATOM 581 O TYR A 43 4.568 0.679 -4.663 1.00 0.00 O ATOM 582 CB TYR A 43 1.737 1.212 -3.554 1.00 0.00 C ATOM 583 CG TYR A 43 0.477 1.892 -3.015 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.325 2.085 -1.657 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.507 2.312 -3.886 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.861 2.725 -1.149 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.693 2.951 -3.379 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.812 3.126 -2.035 1.00 0.00 C ATOM 589 OH TYR A 43 -2.932 3.731 -1.556 1.00 0.00 O ATOM 0 H TYR A 43 3.116 2.334 -5.744 1.00 0.00 H new ATOM 0 HA TYR A 43 3.010 2.846 -2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.520 0.796 -4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.993 0.375 -2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.095 1.756 -0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.387 2.161 -4.949 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.992 2.883 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.471 3.284 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.706 3.147 -1.698 1.00 0.00 H new ATOM 599 N LEU A 44 4.894 1.307 -2.515 1.00 0.00 N ATOM 600 CA LEU A 44 6.126 0.551 -2.365 1.00 0.00 C ATOM 601 C LEU A 44 5.835 -0.745 -1.606 1.00 0.00 C ATOM 602 O LEU A 44 5.437 -0.711 -0.442 1.00 0.00 O ATOM 603 CB LEU A 44 7.208 1.415 -1.714 1.00 0.00 C ATOM 604 CG LEU A 44 8.220 2.054 -2.668 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.335 2.759 -1.893 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.772 1.021 -3.654 1.00 0.00 C ATOM 0 H LEU A 44 4.607 1.824 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 44 6.520 0.268 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.720 2.209 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.752 0.801 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 44 7.704 2.815 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.040 3.204 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.905 3.540 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.855 2.036 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.489 1.501 -4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.267 0.221 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.953 0.604 -4.241 1.00 0.00 H new ATOM 618 N VAL A 45 6.047 -1.857 -2.295 1.00 0.00 N ATOM 619 CA VAL A 45 5.812 -3.161 -1.700 1.00 0.00 C ATOM 620 C VAL A 45 7.136 -3.725 -1.178 1.00 0.00 C ATOM 621 O VAL A 45 8.190 -3.488 -1.766 1.00 0.00 O ATOM 622 CB VAL A 45 5.128 -4.083 -2.712 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.617 -5.357 -2.036 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.995 -3.354 -3.437 1.00 0.00 C ATOM 0 H VAL A 45 6.379 -1.881 -3.259 1.00 0.00 H new ATOM 0 HA VAL A 45 5.136 -3.076 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 45 5.870 -4.374 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.135 -5.994 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.454 -5.892 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.897 -5.094 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.525 -4.031 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.254 -3.020 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.398 -2.491 -3.967 1.00 0.00 H new ATOM 634 N GLU A 46 7.038 -4.459 -0.080 1.00 0.00 N ATOM 635 CA GLU A 46 8.214 -5.058 0.527 1.00 0.00 C ATOM 636 C GLU A 46 7.806 -6.192 1.470 1.00 0.00 C ATOM 637 O GLU A 46 6.808 -6.084 2.181 1.00 0.00 O ATOM 638 CB GLU A 46 9.047 -4.007 1.263 1.00 0.00 C ATOM 639 CG GLU A 46 8.197 -3.254 2.289 1.00 0.00 C ATOM 640 CD GLU A 46 7.862 -1.845 1.795 1.00 0.00 C ATOM 641 OE1 GLU A 46 8.774 -0.992 1.851 1.00 0.00 O ATOM 642 OE2 GLU A 46 6.701 -1.653 1.373 1.00 0.00 O ATOM 0 H GLU A 46 6.162 -4.653 0.405 1.00 0.00 H new ATOM 0 HA GLU A 46 8.834 -5.476 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.886 -4.489 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.466 -3.302 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.276 -3.805 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.733 -3.193 3.236 1.00 0.00 H new ATOM 649 N TYR A 47 8.598 -7.254 1.445 1.00 0.00 N ATOM 650 CA TYR A 47 8.332 -8.406 2.289 1.00 0.00 C ATOM 651 C TYR A 47 9.481 -8.645 3.270 1.00 0.00 C ATOM 652 O TYR A 47 10.644 -8.429 2.934 1.00 0.00 O ATOM 653 CB TYR A 47 8.228 -9.605 1.344 1.00 0.00 C ATOM 654 CG TYR A 47 9.487 -9.852 0.510 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.714 -9.111 -0.632 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.394 -10.815 0.900 1.00 0.00 C ATOM 657 CE1 TYR A 47 10.899 -9.343 -1.417 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.579 -11.047 0.115 1.00 0.00 C ATOM 659 CZ TYR A 47 11.773 -10.300 -1.005 1.00 0.00 C ATOM 660 OH TYR A 47 12.892 -10.519 -1.746 1.00 0.00 O ATOM 0 H TYR A 47 9.424 -7.341 0.853 1.00 0.00 H new ATOM 0 HA TYR A 47 7.424 -8.252 2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.012 -10.498 1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.384 -9.452 0.672 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.003 -8.357 -0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.216 -11.395 1.794 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.089 -8.770 -2.312 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.298 -11.798 0.409 1.00 0.00 H new ATOM 0 HH TYR A 47 13.425 -11.230 -1.332 1.00 0.00 H new ATOM 670 N CYS A 48 9.115 -9.087 4.464 1.00 0.00 N ATOM 671 CA CYS A 48 10.100 -9.357 5.497 1.00 0.00 C ATOM 672 C CYS A 48 9.942 -10.812 5.944 1.00 0.00 C ATOM 673 O CYS A 48 8.845 -11.240 6.298 1.00 0.00 O ATOM 674 CB CYS A 48 9.972 -8.383 6.670 1.00 0.00 C ATOM 675 SG CYS A 48 11.489 -8.429 7.692 1.00 0.00 S ATOM 0 H CYS A 48 8.149 -9.265 4.739 1.00 0.00 H new ATOM 0 HA CYS A 48 11.102 -9.208 5.094 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.805 -7.372 6.297 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.106 -8.645 7.278 1.00 0.00 H new ATOM 0 HG CYS A 48 11.225 -8.988 8.835 1.00 0.00 H new ATOM 681 N LEU A 49 11.054 -11.531 5.911 1.00 0.00 N ATOM 682 CA LEU A 49 11.053 -12.929 6.308 1.00 0.00 C ATOM 683 C LEU A 49 10.922 -13.022 7.830 1.00 0.00 C ATOM 684 O LEU A 49 11.555 -12.260 8.559 1.00 0.00 O ATOM 685 CB LEU A 49 12.285 -13.645 5.752 1.00 0.00 C ATOM 686 CG LEU A 49 12.374 -13.740 4.227 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.767 -13.347 3.734 1.00 0.00 C ATOM 688 CD2 LEU A 49 11.965 -15.132 3.740 1.00 0.00 C ATOM 0 H LEU A 49 11.962 -11.172 5.616 1.00 0.00 H new ATOM 0 HA LEU A 49 10.193 -13.446 5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.175 -13.132 6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.309 -14.655 6.161 1.00 0.00 H new ATOM 0 HG LEU A 49 11.668 -13.028 3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.803 -13.423 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.983 -12.321 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.509 -14.016 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.037 -15.173 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.628 -15.879 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.938 -15.337 4.044 1.00 0.00 H new ATOM 700 N GLU A 50 10.097 -13.963 8.264 1.00 0.00 N ATOM 701 CA GLU A 50 9.876 -14.167 9.686 1.00 0.00 C ATOM 702 C GLU A 50 11.212 -14.232 10.428 1.00 0.00 C ATOM 703 O GLU A 50 12.087 -15.020 10.070 1.00 0.00 O ATOM 704 CB GLU A 50 9.047 -15.428 9.937 1.00 0.00 C ATOM 705 CG GLU A 50 7.798 -15.109 10.761 1.00 0.00 C ATOM 706 CD GLU A 50 8.069 -15.285 12.257 1.00 0.00 C ATOM 707 OE1 GLU A 50 8.608 -16.355 12.614 1.00 0.00 O ATOM 708 OE2 GLU A 50 7.730 -14.346 13.009 1.00 0.00 O ATOM 0 H GLU A 50 9.573 -14.593 7.656 1.00 0.00 H new ATOM 0 HA GLU A 50 9.311 -13.318 10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.755 -15.871 8.985 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.653 -16.168 10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.479 -14.086 10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.980 -15.762 10.456 1.00 0.00 H new ATOM 715 N GLY A 51 11.329 -13.393 11.447 1.00 0.00 N ATOM 716 CA GLY A 51 12.544 -13.346 12.242 1.00 0.00 C ATOM 717 C GLY A 51 13.453 -12.202 11.786 1.00 0.00 C ATOM 718 O GLY A 51 14.211 -11.652 12.583 1.00 0.00 O ATOM 0 H GLY A 51 10.602 -12.740 11.740 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.290 -13.216 13.294 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.076 -14.294 12.157 1.00 0.00 H new ATOM 722 N SER A 52 13.346 -11.877 10.506 1.00 0.00 N ATOM 723 CA SER A 52 14.148 -10.809 9.935 1.00 0.00 C ATOM 724 C SER A 52 13.514 -9.453 10.249 1.00 0.00 C ATOM 725 O SER A 52 12.291 -9.318 10.240 1.00 0.00 O ATOM 726 CB SER A 52 14.304 -10.985 8.424 1.00 0.00 C ATOM 727 OG SER A 52 14.986 -9.886 7.826 1.00 0.00 O ATOM 0 H SER A 52 12.715 -12.335 9.848 1.00 0.00 H new ATOM 0 HA SER A 52 15.141 -10.851 10.383 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.852 -11.905 8.221 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.320 -11.092 7.968 1.00 0.00 H new ATOM 0 HG SER A 52 15.067 -10.037 6.861 1.00 0.00 H new ATOM 733 N GLU A 53 14.373 -8.482 10.520 1.00 0.00 N ATOM 734 CA GLU A 53 13.912 -7.140 10.837 1.00 0.00 C ATOM 735 C GLU A 53 14.164 -6.200 9.657 1.00 0.00 C ATOM 736 O GLU A 53 14.094 -4.981 9.804 1.00 0.00 O ATOM 737 CB GLU A 53 14.582 -6.616 12.109 1.00 0.00 C ATOM 738 CG GLU A 53 13.544 -6.052 13.082 1.00 0.00 C ATOM 739 CD GLU A 53 14.197 -5.650 14.406 1.00 0.00 C ATOM 740 OE1 GLU A 53 15.095 -4.782 14.355 1.00 0.00 O ATOM 741 OE2 GLU A 53 13.783 -6.218 15.439 1.00 0.00 O ATOM 0 H GLU A 53 15.386 -8.597 10.527 1.00 0.00 H new ATOM 0 HA GLU A 53 12.838 -7.180 11.022 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.137 -7.421 12.590 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.304 -5.841 11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.055 -5.186 12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.770 -6.797 13.265 1.00 0.00 H new ATOM 748 N GLU A 54 14.453 -6.803 8.512 1.00 0.00 N ATOM 749 CA GLU A 54 14.716 -6.034 7.308 1.00 0.00 C ATOM 750 C GLU A 54 13.675 -6.358 6.234 1.00 0.00 C ATOM 751 O GLU A 54 13.610 -7.485 5.747 1.00 0.00 O ATOM 752 CB GLU A 54 16.133 -6.291 6.792 1.00 0.00 C ATOM 753 CG GLU A 54 16.353 -5.619 5.435 1.00 0.00 C ATOM 754 CD GLU A 54 17.662 -4.826 5.422 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.656 -3.713 5.992 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.637 -5.349 4.842 1.00 0.00 O ATOM 0 H GLU A 54 14.511 -7.814 8.394 1.00 0.00 H new ATOM 0 HA GLU A 54 14.640 -4.975 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.860 -5.913 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.302 -7.364 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.374 -6.375 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.518 -4.954 5.215 1.00 0.00 H new ATOM 763 N TRP A 55 12.886 -5.348 5.896 1.00 0.00 N ATOM 764 CA TRP A 55 11.851 -5.511 4.890 1.00 0.00 C ATOM 765 C TRP A 55 12.498 -5.334 3.514 1.00 0.00 C ATOM 766 O TRP A 55 12.985 -4.253 3.188 1.00 0.00 O ATOM 767 CB TRP A 55 10.691 -4.543 5.134 1.00 0.00 C ATOM 768 CG TRP A 55 9.854 -4.875 6.370 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.211 -4.780 7.658 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.496 -5.362 6.383 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.187 -5.169 8.497 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.110 -5.534 7.697 1.00 0.00 C ATOM 773 CE3 TRP A 55 7.621 -5.649 5.320 1.00 0.00 C ATOM 774 CZ2 TRP A 55 6.843 -5.998 8.070 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.359 -6.111 5.710 1.00 0.00 C ATOM 776 CH2 TRP A 55 5.955 -6.290 7.028 1.00 0.00 C ATOM 0 H TRP A 55 12.943 -4.414 6.301 1.00 0.00 H new ATOM 0 HA TRP A 55 11.414 -6.508 4.944 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.089 -3.534 5.238 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.042 -4.541 4.258 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.179 -4.441 7.997 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.215 -5.186 9.516 1.00 0.00 H new ATOM 0 HE3 TRP A 55 7.901 -5.523 4.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.566 -6.124 9.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.648 -6.345 4.931 1.00 0.00 H new ATOM 0 HH2 TRP A 55 4.961 -6.652 7.247 1.00 0.00 H new ATOM 787 N VAL A 56 12.482 -6.412 2.745 1.00 0.00 N ATOM 788 CA VAL A 56 13.061 -6.390 1.412 1.00 0.00 C ATOM 789 C VAL A 56 12.053 -5.785 0.433 1.00 0.00 C ATOM 790 O VAL A 56 10.853 -6.035 0.538 1.00 0.00 O ATOM 791 CB VAL A 56 13.510 -7.797 1.013 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.105 -7.803 -0.396 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.503 -8.364 2.030 1.00 0.00 C ATOM 0 H VAL A 56 12.077 -7.307 3.019 1.00 0.00 H new ATOM 0 HA VAL A 56 13.951 -5.761 1.393 1.00 0.00 H new ATOM 0 HB VAL A 56 12.631 -8.441 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.416 -8.815 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.355 -7.460 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.968 -7.138 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.806 -9.365 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.380 -7.719 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.031 -8.413 3.011 1.00 0.00 H new ATOM 803 N PRO A 57 12.591 -4.978 -0.521 1.00 0.00 N ATOM 804 CA PRO A 57 11.752 -4.335 -1.518 1.00 0.00 C ATOM 805 C PRO A 57 11.291 -5.339 -2.576 1.00 0.00 C ATOM 806 O PRO A 57 12.114 -5.979 -3.230 1.00 0.00 O ATOM 807 CB PRO A 57 12.608 -3.218 -2.091 1.00 0.00 C ATOM 808 CG PRO A 57 14.044 -3.566 -1.731 1.00 0.00 C ATOM 809 CD PRO A 57 14.007 -4.659 -0.675 1.00 0.00 C ATOM 0 HA PRO A 57 10.829 -3.935 -1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.483 -3.145 -3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.323 -2.253 -1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.587 -3.905 -2.613 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.567 -2.687 -1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.578 -5.533 -0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.440 -4.316 0.265 1.00 0.00 H new ATOM 817 N ALA A 58 9.978 -5.446 -2.713 1.00 0.00 N ATOM 818 CA ALA A 58 9.397 -6.361 -3.681 1.00 0.00 C ATOM 819 C ALA A 58 9.459 -5.729 -5.074 1.00 0.00 C ATOM 820 O ALA A 58 9.813 -6.395 -6.045 1.00 0.00 O ATOM 821 CB ALA A 58 7.968 -6.709 -3.262 1.00 0.00 C ATOM 0 H ALA A 58 9.299 -4.914 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 58 9.962 -7.293 -3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.533 -7.395 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.982 -7.181 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.370 -5.799 -3.219 1.00 0.00 H new ATOM 827 N ASN A 59 9.110 -4.452 -5.125 1.00 0.00 N ATOM 828 CA ASN A 59 9.121 -3.724 -6.383 1.00 0.00 C ATOM 829 C ASN A 59 10.067 -2.527 -6.265 1.00 0.00 C ATOM 830 O ASN A 59 9.792 -1.584 -5.525 1.00 0.00 O ATOM 831 CB ASN A 59 7.727 -3.193 -6.724 1.00 0.00 C ATOM 832 CG ASN A 59 7.166 -2.350 -5.578 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.406 -2.605 -4.409 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.405 -1.334 -5.976 1.00 0.00 N ATOM 0 H ASN A 59 8.818 -3.903 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 59 9.448 -4.408 -7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.775 -2.592 -7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.056 -4.027 -6.929 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.982 -0.713 -5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.244 -1.176 -6.971 1.00 0.00 H new ATOM 841 N LYS A 60 11.162 -2.604 -7.007 1.00 0.00 N ATOM 842 CA LYS A 60 12.150 -1.539 -6.995 1.00 0.00 C ATOM 843 C LYS A 60 11.439 -0.188 -7.089 1.00 0.00 C ATOM 844 O LYS A 60 11.695 0.709 -6.288 1.00 0.00 O ATOM 845 CB LYS A 60 13.192 -1.763 -8.093 1.00 0.00 C ATOM 846 CG LYS A 60 14.325 -0.740 -7.990 1.00 0.00 C ATOM 847 CD LYS A 60 15.656 -1.350 -8.435 1.00 0.00 C ATOM 848 CE LYS A 60 16.585 -1.571 -7.239 1.00 0.00 C ATOM 849 NZ LYS A 60 17.724 -0.628 -7.287 1.00 0.00 N ATOM 0 H LYS A 60 11.387 -3.387 -7.620 1.00 0.00 H new ATOM 0 HA LYS A 60 12.703 -1.544 -6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.599 -2.771 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.717 -1.688 -9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.094 0.128 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.408 -0.386 -6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.475 -2.299 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.138 -0.692 -9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.031 -1.434 -6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.954 -2.597 -7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.345 -0.791 -6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 18.262 -0.778 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 17.367 0.349 -7.262 1.00 0.00 H new ATOM 863 N GLU A 61 10.559 -0.086 -8.074 1.00 0.00 N ATOM 864 CA GLU A 61 9.808 1.141 -8.282 1.00 0.00 C ATOM 865 C GLU A 61 8.350 0.949 -7.860 1.00 0.00 C ATOM 866 O GLU A 61 7.859 -0.177 -7.803 1.00 0.00 O ATOM 867 CB GLU A 61 9.901 1.600 -9.739 1.00 0.00 C ATOM 868 CG GLU A 61 11.349 1.913 -10.123 1.00 0.00 C ATOM 869 CD GLU A 61 11.925 0.822 -11.028 1.00 0.00 C ATOM 870 OE1 GLU A 61 11.135 0.271 -11.825 1.00 0.00 O ATOM 871 OE2 GLU A 61 13.141 0.563 -10.901 1.00 0.00 O ATOM 0 H GLU A 61 10.349 -0.832 -8.737 1.00 0.00 H new ATOM 0 HA GLU A 61 10.246 1.922 -7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.507 0.824 -10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.282 2.485 -9.885 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.394 2.875 -10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.957 2.002 -9.222 1.00 0.00 H new ATOM 878 N PRO A 62 7.680 2.096 -7.568 1.00 0.00 N ATOM 879 CA PRO A 62 6.288 2.066 -7.153 1.00 0.00 C ATOM 880 C PRO A 62 5.367 1.791 -8.343 1.00 0.00 C ATOM 881 O PRO A 62 5.501 2.416 -9.394 1.00 0.00 O ATOM 882 CB PRO A 62 6.040 3.420 -6.510 1.00 0.00 C ATOM 883 CG PRO A 62 7.157 4.327 -7.002 1.00 0.00 C ATOM 884 CD PRO A 62 8.229 3.448 -7.625 1.00 0.00 C ATOM 0 HA PRO A 62 6.076 1.261 -6.449 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.064 3.814 -6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.049 3.344 -5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.776 5.040 -7.733 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.570 4.906 -6.176 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.439 3.747 -8.652 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.167 3.518 -7.075 1.00 0.00 H new ATOM 892 N VAL A 63 4.452 0.854 -8.139 1.00 0.00 N ATOM 893 CA VAL A 63 3.509 0.489 -9.182 1.00 0.00 C ATOM 894 C VAL A 63 2.464 1.596 -9.329 1.00 0.00 C ATOM 895 O VAL A 63 2.531 2.614 -8.641 1.00 0.00 O ATOM 896 CB VAL A 63 2.893 -0.878 -8.875 1.00 0.00 C ATOM 897 CG1 VAL A 63 3.980 -1.933 -8.662 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.960 -0.800 -7.665 1.00 0.00 C ATOM 0 H VAL A 63 4.344 0.337 -7.266 1.00 0.00 H new ATOM 0 HA VAL A 63 4.018 0.394 -10.141 1.00 0.00 H new ATOM 0 HB VAL A 63 2.298 -1.179 -9.737 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.516 -2.895 -8.445 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.587 -2.018 -9.564 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.613 -1.639 -7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.536 -1.785 -7.469 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.522 -0.467 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.156 -0.093 -7.870 1.00 0.00 H new ATOM 908 N GLU A 64 1.522 1.361 -10.230 1.00 0.00 N ATOM 909 CA GLU A 64 0.463 2.325 -10.476 1.00 0.00 C ATOM 910 C GLU A 64 -0.884 1.764 -10.017 1.00 0.00 C ATOM 911 O GLU A 64 -1.658 2.459 -9.360 1.00 0.00 O ATOM 912 CB GLU A 64 0.417 2.723 -11.953 1.00 0.00 C ATOM 913 CG GLU A 64 1.619 3.594 -12.324 1.00 0.00 C ATOM 914 CD GLU A 64 1.221 4.678 -13.328 1.00 0.00 C ATOM 915 OE1 GLU A 64 0.295 4.404 -14.122 1.00 0.00 O ATOM 916 OE2 GLU A 64 1.852 5.756 -13.279 1.00 0.00 O ATOM 0 H GLU A 64 1.470 0.516 -10.799 1.00 0.00 H new ATOM 0 HA GLU A 64 0.675 3.224 -9.897 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.407 1.828 -12.574 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.506 3.264 -12.159 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.028 4.057 -11.426 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.407 2.971 -12.749 1.00 0.00 H new ATOM 923 N ARG A 65 -1.123 0.513 -10.381 1.00 0.00 N ATOM 924 CA ARG A 65 -2.363 -0.149 -10.014 1.00 0.00 C ATOM 925 C ARG A 65 -2.318 -0.587 -8.549 1.00 0.00 C ATOM 926 O ARG A 65 -1.250 -0.620 -7.940 1.00 0.00 O ATOM 927 CB ARG A 65 -2.616 -1.373 -10.897 1.00 0.00 C ATOM 928 CG ARG A 65 -3.458 -1.002 -12.120 1.00 0.00 C ATOM 929 CD ARG A 65 -4.944 -1.258 -11.860 1.00 0.00 C ATOM 930 NE ARG A 65 -5.294 -2.644 -12.242 1.00 0.00 N ATOM 931 CZ ARG A 65 -5.530 -3.039 -13.501 1.00 0.00 C ATOM 932 NH1 ARG A 65 -5.455 -2.155 -14.505 1.00 0.00 N ATOM 933 NH2 ARG A 65 -5.840 -4.317 -13.755 1.00 0.00 N ATOM 0 H ARG A 65 -0.479 -0.060 -10.926 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.175 0.564 -10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.665 -1.795 -11.221 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.127 -2.143 -10.319 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.304 0.048 -12.367 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.130 -1.584 -12.982 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.171 -1.094 -10.806 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.548 -0.552 -12.429 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.360 -3.342 -11.501 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.218 -1.182 -14.311 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.634 -2.455 -15.463 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.897 -4.990 -12.990 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.020 -4.618 -14.713 1.00 0.00 H new ATOM 947 N CYS A 66 -3.491 -0.913 -8.026 1.00 0.00 N ATOM 948 CA CYS A 66 -3.598 -1.347 -6.643 1.00 0.00 C ATOM 949 C CYS A 66 -3.432 -2.868 -6.603 1.00 0.00 C ATOM 950 O CYS A 66 -4.349 -3.586 -6.207 1.00 0.00 O ATOM 951 CB CYS A 66 -4.919 -0.901 -6.011 1.00 0.00 C ATOM 952 SG CYS A 66 -5.286 0.828 -6.486 1.00 0.00 S ATOM 0 H CYS A 66 -4.375 -0.885 -8.534 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.811 -0.880 -6.051 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.727 -1.556 -6.337 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.859 -0.984 -4.926 1.00 0.00 H new ATOM 0 HG CYS A 66 -4.502 1.633 -5.832 1.00 0.00 H new ATOM 958 N GLY A 67 -2.255 -3.313 -7.019 1.00 0.00 N ATOM 959 CA GLY A 67 -1.957 -4.735 -7.035 1.00 0.00 C ATOM 960 C GLY A 67 -0.560 -4.996 -7.602 1.00 0.00 C ATOM 961 O GLY A 67 -0.093 -4.264 -8.474 1.00 0.00 O ATOM 0 H GLY A 67 -1.497 -2.714 -7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.023 -5.136 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.701 -5.259 -7.635 1.00 0.00 H new ATOM 965 N PHE A 68 0.069 -6.040 -7.083 1.00 0.00 N ATOM 966 CA PHE A 68 1.404 -6.406 -7.526 1.00 0.00 C ATOM 967 C PHE A 68 1.683 -7.886 -7.258 1.00 0.00 C ATOM 968 O PHE A 68 0.905 -8.557 -6.582 1.00 0.00 O ATOM 969 CB PHE A 68 2.390 -5.559 -6.721 1.00 0.00 C ATOM 970 CG PHE A 68 3.857 -5.800 -7.083 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.431 -5.099 -8.097 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.587 -6.714 -6.390 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.793 -5.322 -8.433 1.00 0.00 C ATOM 974 CE2 PHE A 68 5.949 -6.938 -6.726 1.00 0.00 C ATOM 975 CZ PHE A 68 6.523 -6.237 -7.740 1.00 0.00 C ATOM 0 H PHE A 68 -0.321 -6.644 -6.360 1.00 0.00 H new ATOM 0 HA PHE A 68 1.501 -6.234 -8.598 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.157 -4.505 -6.874 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.249 -5.766 -5.660 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.851 -4.373 -8.647 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.131 -7.270 -5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.249 -4.765 -9.238 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.528 -7.665 -6.176 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.559 -6.407 -7.995 1.00 0.00 H new ATOM 985 N THR A 69 2.798 -8.353 -7.802 1.00 0.00 N ATOM 986 CA THR A 69 3.190 -9.741 -7.631 1.00 0.00 C ATOM 987 C THR A 69 4.660 -9.833 -7.216 1.00 0.00 C ATOM 988 O THR A 69 5.535 -9.297 -7.895 1.00 0.00 O ATOM 989 CB THR A 69 2.878 -10.485 -8.931 1.00 0.00 C ATOM 990 OG1 THR A 69 1.481 -10.751 -8.852 1.00 0.00 O ATOM 991 CG2 THR A 69 3.520 -11.873 -8.980 1.00 0.00 C ATOM 0 H THR A 69 3.442 -7.794 -8.362 1.00 0.00 H new ATOM 0 HA THR A 69 2.627 -10.214 -6.826 1.00 0.00 H new ATOM 0 HB THR A 69 3.225 -9.895 -9.779 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.193 -11.230 -9.657 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.267 -12.358 -9.923 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.603 -11.776 -8.901 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.148 -12.475 -8.151 1.00 0.00 H new ATOM 999 N VAL A 70 4.886 -10.515 -6.103 1.00 0.00 N ATOM 1000 CA VAL A 70 6.235 -10.683 -5.590 1.00 0.00 C ATOM 1001 C VAL A 70 6.810 -12.005 -6.102 1.00 0.00 C ATOM 1002 O VAL A 70 6.063 -12.931 -6.416 1.00 0.00 O ATOM 1003 CB VAL A 70 6.230 -10.585 -4.063 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.651 -10.674 -3.503 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.536 -9.303 -3.598 1.00 0.00 C ATOM 0 H VAL A 70 4.158 -10.958 -5.542 1.00 0.00 H new ATOM 0 HA VAL A 70 6.883 -9.885 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 70 5.664 -11.432 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.619 -10.602 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.096 -11.626 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.252 -9.857 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.546 -9.258 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.062 -8.438 -4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.505 -9.299 -3.952 1.00 0.00 H new ATOM 1015 N LYS A 71 8.132 -12.052 -6.170 1.00 0.00 N ATOM 1016 CA LYS A 71 8.816 -13.246 -6.639 1.00 0.00 C ATOM 1017 C LYS A 71 10.044 -13.502 -5.764 1.00 0.00 C ATOM 1018 O LYS A 71 10.415 -12.660 -4.947 1.00 0.00 O ATOM 1019 CB LYS A 71 9.137 -13.128 -8.130 1.00 0.00 C ATOM 1020 CG LYS A 71 10.072 -11.947 -8.399 1.00 0.00 C ATOM 1021 CD LYS A 71 9.793 -11.327 -9.769 1.00 0.00 C ATOM 1022 CE LYS A 71 8.427 -10.638 -9.791 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.537 -9.289 -10.391 1.00 0.00 N ATOM 0 H LYS A 71 8.748 -11.283 -5.908 1.00 0.00 H new ATOM 0 HA LYS A 71 8.169 -14.118 -6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.601 -14.050 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.214 -13.001 -8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.944 -11.193 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.108 -12.281 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.573 -10.605 -10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.826 -12.101 -10.536 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.719 -11.239 -10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.036 -10.561 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.601 -8.835 -10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.197 -8.713 -9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.890 -9.370 -11.366 1.00 0.00 H new ATOM 1037 N ASP A 72 10.641 -14.668 -5.964 1.00 0.00 N ATOM 1038 CA ASP A 72 11.820 -15.045 -5.203 1.00 0.00 C ATOM 1039 C ASP A 72 11.460 -15.119 -3.718 1.00 0.00 C ATOM 1040 O ASP A 72 11.752 -14.196 -2.958 1.00 0.00 O ATOM 1041 CB ASP A 72 12.936 -14.012 -5.368 1.00 0.00 C ATOM 1042 CG ASP A 72 14.353 -14.553 -5.163 1.00 0.00 C ATOM 1043 OD1 ASP A 72 14.459 -15.751 -4.825 1.00 0.00 O ATOM 1044 OD2 ASP A 72 15.297 -13.755 -5.348 1.00 0.00 O ATOM 0 H ASP A 72 10.330 -15.364 -6.642 1.00 0.00 H new ATOM 0 HA ASP A 72 12.165 -16.011 -5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.868 -13.583 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.767 -13.200 -4.660 1.00 0.00 H new ATOM 1049 N LEU A 73 10.833 -16.226 -3.348 1.00 0.00 N ATOM 1050 CA LEU A 73 10.431 -16.432 -1.967 1.00 0.00 C ATOM 1051 C LEU A 73 10.628 -17.904 -1.597 1.00 0.00 C ATOM 1052 O LEU A 73 10.442 -18.787 -2.432 1.00 0.00 O ATOM 1053 CB LEU A 73 9.004 -15.928 -1.743 1.00 0.00 C ATOM 1054 CG LEU A 73 8.682 -14.548 -2.320 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.172 -14.352 -2.464 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.326 -13.440 -1.485 1.00 0.00 C ATOM 0 H LEU A 73 10.594 -16.990 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 73 11.060 -15.847 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.312 -16.651 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.812 -15.905 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 73 9.111 -14.488 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.971 -13.363 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.768 -15.113 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.699 -14.440 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.081 -12.470 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.948 -13.488 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.408 -13.572 -1.478 1.00 0.00 H new ATOM 1068 N PRO A 74 11.012 -18.127 -0.312 1.00 0.00 N ATOM 1069 CA PRO A 74 11.236 -19.477 0.179 1.00 0.00 C ATOM 1070 C PRO A 74 9.909 -20.203 0.412 1.00 0.00 C ATOM 1071 O PRO A 74 9.090 -19.763 1.218 1.00 0.00 O ATOM 1072 CB PRO A 74 12.049 -19.303 1.451 1.00 0.00 C ATOM 1073 CG PRO A 74 11.855 -17.856 1.876 1.00 0.00 C ATOM 1074 CD PRO A 74 11.241 -17.105 0.705 1.00 0.00 C ATOM 0 HA PRO A 74 11.770 -20.102 -0.537 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.709 -19.987 2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.102 -19.520 1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.205 -17.798 2.749 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.809 -17.410 2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.310 -16.617 0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.910 -16.326 0.340 1.00 0.00 H new ATOM 1082 N THR A 75 9.739 -21.302 -0.308 1.00 0.00 N ATOM 1083 CA THR A 75 8.526 -22.093 -0.190 1.00 0.00 C ATOM 1084 C THR A 75 8.357 -22.599 1.244 1.00 0.00 C ATOM 1085 O THR A 75 9.232 -23.283 1.772 1.00 0.00 O ATOM 1086 CB THR A 75 8.591 -23.216 -1.226 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.491 -22.541 -2.477 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.356 -24.119 -1.190 1.00 0.00 C ATOM 0 H THR A 75 10.421 -21.663 -0.975 1.00 0.00 H new ATOM 0 HA THR A 75 7.640 -21.492 -0.396 1.00 0.00 H new ATOM 0 HB THR A 75 9.484 -23.816 -1.054 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.999 -21.702 -2.358 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.454 -24.899 -1.945 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.268 -24.577 -0.205 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.465 -23.525 -1.395 1.00 0.00 H new ATOM 1096 N GLY A 76 7.225 -22.242 1.834 1.00 0.00 N ATOM 1097 CA GLY A 76 6.930 -22.651 3.197 1.00 0.00 C ATOM 1098 C GLY A 76 7.645 -21.751 4.206 1.00 0.00 C ATOM 1099 O GLY A 76 8.284 -22.241 5.137 1.00 0.00 O ATOM 0 H GLY A 76 6.501 -21.674 1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.854 -22.612 3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.238 -23.686 3.345 1.00 0.00 H new ATOM 1103 N ALA A 77 7.514 -20.451 3.989 1.00 0.00 N ATOM 1104 CA ALA A 77 8.140 -19.478 4.868 1.00 0.00 C ATOM 1105 C ALA A 77 7.135 -18.373 5.197 1.00 0.00 C ATOM 1106 O ALA A 77 6.514 -17.806 4.299 1.00 0.00 O ATOM 1107 CB ALA A 77 9.409 -18.935 4.208 1.00 0.00 C ATOM 0 H ALA A 77 6.983 -20.048 3.217 1.00 0.00 H new ATOM 0 HA ALA A 77 8.436 -19.945 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.878 -18.205 4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.102 -19.755 4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.152 -18.457 3.263 1.00 0.00 H new ATOM 1113 N ARG A 78 7.004 -18.100 6.487 1.00 0.00 N ATOM 1114 CA ARG A 78 6.085 -17.072 6.945 1.00 0.00 C ATOM 1115 C ARG A 78 6.638 -15.683 6.624 1.00 0.00 C ATOM 1116 O ARG A 78 7.444 -15.142 7.379 1.00 0.00 O ATOM 1117 CB ARG A 78 5.844 -17.182 8.452 1.00 0.00 C ATOM 1118 CG ARG A 78 4.544 -17.933 8.747 1.00 0.00 C ATOM 1119 CD ARG A 78 4.801 -19.138 9.655 1.00 0.00 C ATOM 1120 NE ARG A 78 3.713 -19.262 10.651 1.00 0.00 N ATOM 1121 CZ ARG A 78 3.452 -18.349 11.596 1.00 0.00 C ATOM 1122 NH1 ARG A 78 4.199 -17.239 11.680 1.00 0.00 N ATOM 1123 NH2 ARG A 78 2.444 -18.545 12.457 1.00 0.00 N ATOM 0 H ARG A 78 7.519 -18.573 7.229 1.00 0.00 H new ATOM 0 HA ARG A 78 5.138 -17.218 6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.681 -17.699 8.921 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.800 -16.185 8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.831 -17.260 9.223 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.093 -18.267 7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.864 -20.047 9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.759 -19.024 10.163 1.00 0.00 H new ATOM 0 HE ARG A 78 3.125 -20.095 10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.966 -17.090 11.024 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.000 -16.544 12.399 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.875 -19.389 12.393 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.245 -17.850 13.176 1.00 0.00 H new ATOM 1137 N ILE A 79 6.183 -15.145 5.502 1.00 0.00 N ATOM 1138 CA ILE A 79 6.623 -13.829 5.071 1.00 0.00 C ATOM 1139 C ILE A 79 5.458 -12.843 5.188 1.00 0.00 C ATOM 1140 O ILE A 79 4.323 -13.174 4.848 1.00 0.00 O ATOM 1141 CB ILE A 79 7.229 -13.899 3.668 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.386 -14.899 3.620 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.651 -12.511 3.183 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.855 -15.127 2.182 1.00 0.00 C ATOM 0 H ILE A 79 5.514 -15.597 4.878 1.00 0.00 H new ATOM 0 HA ILE A 79 7.419 -13.463 5.719 1.00 0.00 H new ATOM 0 HB ILE A 79 6.462 -14.260 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.216 -14.530 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.071 -15.846 4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.079 -12.589 2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.781 -11.855 3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.395 -12.098 3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.678 -15.842 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.030 -15.519 1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.192 -14.182 1.755 1.00 0.00 H new ATOM 1156 N LEU A 80 5.779 -11.652 5.671 1.00 0.00 N ATOM 1157 CA LEU A 80 4.774 -10.616 5.838 1.00 0.00 C ATOM 1158 C LEU A 80 4.933 -9.574 4.729 1.00 0.00 C ATOM 1159 O LEU A 80 6.041 -9.112 4.460 1.00 0.00 O ATOM 1160 CB LEU A 80 4.841 -10.027 7.249 1.00 0.00 C ATOM 1161 CG LEU A 80 4.117 -10.819 8.341 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.532 -10.338 9.732 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.601 -10.764 8.144 1.00 0.00 C ATOM 0 H LEU A 80 6.721 -11.381 5.952 1.00 0.00 H new ATOM 0 HA LEU A 80 3.773 -11.037 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.889 -9.931 7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.425 -9.020 7.221 1.00 0.00 H new ATOM 0 HG LEU A 80 4.414 -11.865 8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.004 -10.917 10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.607 -10.471 9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.282 -9.283 9.842 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.111 -11.334 8.933 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.266 -9.727 8.184 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.344 -11.191 7.174 1.00 0.00 H new ATOM 1175 N PHE A 81 3.809 -9.234 4.115 1.00 0.00 N ATOM 1176 CA PHE A 81 3.809 -8.256 3.041 1.00 0.00 C ATOM 1177 C PHE A 81 3.136 -6.955 3.484 1.00 0.00 C ATOM 1178 O PHE A 81 2.028 -6.977 4.018 1.00 0.00 O ATOM 1179 CB PHE A 81 3.012 -8.861 1.884 1.00 0.00 C ATOM 1180 CG PHE A 81 3.624 -10.140 1.309 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.857 -10.107 0.737 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.934 -11.311 1.371 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.424 -11.294 0.203 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.501 -12.498 0.837 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.734 -12.465 0.264 1.00 0.00 C ATOM 0 H PHE A 81 2.892 -9.619 4.341 1.00 0.00 H new ATOM 0 HA PHE A 81 4.833 -8.023 2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.000 -9.077 2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.928 -8.121 1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.405 -9.178 0.689 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.955 -11.338 1.826 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.403 -11.267 -0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.953 -13.427 0.886 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.165 -13.368 -0.142 1.00 0.00 H new ATOM 1195 N ARG A 82 3.833 -5.854 3.247 1.00 0.00 N ATOM 1196 CA ARG A 82 3.316 -4.547 3.614 1.00 0.00 C ATOM 1197 C ARG A 82 3.433 -3.579 2.435 1.00 0.00 C ATOM 1198 O ARG A 82 4.464 -3.531 1.767 1.00 0.00 O ATOM 1199 CB ARG A 82 4.073 -3.973 4.814 1.00 0.00 C ATOM 1200 CG ARG A 82 5.477 -3.519 4.410 1.00 0.00 C ATOM 1201 CD ARG A 82 6.224 -2.919 5.603 1.00 0.00 C ATOM 1202 NE ARG A 82 7.608 -2.571 5.211 1.00 0.00 N ATOM 1203 CZ ARG A 82 7.957 -1.410 4.640 1.00 0.00 C ATOM 1204 NH1 ARG A 82 7.027 -0.479 4.390 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.238 -1.181 4.317 1.00 0.00 N ATOM 0 H ARG A 82 4.752 -5.840 2.805 1.00 0.00 H new ATOM 0 HA ARG A 82 2.267 -4.669 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.520 -3.130 5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.142 -4.726 5.599 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.037 -4.366 4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.408 -2.781 3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.704 -2.030 5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.239 -3.631 6.428 1.00 0.00 H new ATOM 0 HE ARG A 82 8.342 -3.257 5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.052 -0.653 4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.294 0.404 3.955 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.946 -1.890 4.506 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.504 -0.297 3.882 1.00 0.00 H new ATOM 1219 N VAL A 83 2.361 -2.831 2.216 1.00 0.00 N ATOM 1220 CA VAL A 83 2.331 -1.867 1.130 1.00 0.00 C ATOM 1221 C VAL A 83 2.286 -0.452 1.710 1.00 0.00 C ATOM 1222 O VAL A 83 1.615 -0.210 2.712 1.00 0.00 O ATOM 1223 CB VAL A 83 1.156 -2.168 0.196 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.651 -0.891 -0.479 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.539 -3.223 -0.844 1.00 0.00 C ATOM 0 H VAL A 83 1.507 -2.874 2.772 1.00 0.00 H new ATOM 0 HA VAL A 83 3.236 -1.942 0.527 1.00 0.00 H new ATOM 0 HB VAL A 83 0.343 -2.572 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.184 -1.133 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.320 -0.184 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.456 -0.445 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.687 -3.419 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.375 -2.859 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.828 -4.144 -0.338 1.00 0.00 H new ATOM 1235 N VAL A 84 3.008 0.445 1.055 1.00 0.00 N ATOM 1236 CA VAL A 84 3.059 1.829 1.493 1.00 0.00 C ATOM 1237 C VAL A 84 2.913 2.750 0.280 1.00 0.00 C ATOM 1238 O VAL A 84 3.589 2.563 -0.730 1.00 0.00 O ATOM 1239 CB VAL A 84 4.346 2.081 2.283 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.170 1.698 3.754 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.526 1.334 1.659 1.00 0.00 C ATOM 0 H VAL A 84 3.563 0.240 0.224 1.00 0.00 H new ATOM 0 HA VAL A 84 2.231 2.046 2.168 1.00 0.00 H new ATOM 0 HB VAL A 84 4.564 3.148 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.099 1.887 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.369 2.294 4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.917 0.640 3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.428 1.530 2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.320 0.264 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.672 1.676 0.634 1.00 0.00 H new ATOM 1251 N GLY A 85 2.024 3.723 0.420 1.00 0.00 N ATOM 1252 CA GLY A 85 1.780 4.672 -0.652 1.00 0.00 C ATOM 1253 C GLY A 85 2.857 5.759 -0.678 1.00 0.00 C ATOM 1254 O GLY A 85 2.900 6.617 0.203 1.00 0.00 O ATOM 0 H GLY A 85 1.464 3.874 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.763 4.149 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.799 5.130 -0.521 1.00 0.00 H new ATOM 1258 N VAL A 86 3.700 5.688 -1.697 1.00 0.00 N ATOM 1259 CA VAL A 86 4.774 6.655 -1.849 1.00 0.00 C ATOM 1260 C VAL A 86 4.232 7.909 -2.538 1.00 0.00 C ATOM 1261 O VAL A 86 3.259 7.838 -3.287 1.00 0.00 O ATOM 1262 CB VAL A 86 5.947 6.021 -2.599 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.677 5.006 -1.717 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.479 5.377 -3.905 1.00 0.00 C ATOM 0 H VAL A 86 3.661 4.976 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 86 5.155 6.959 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 86 6.652 6.814 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.506 4.570 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.060 5.506 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.985 4.218 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.332 4.934 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.745 4.602 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.026 6.136 -4.543 1.00 0.00 H new ATOM 1274 N ASN A 87 4.885 9.028 -2.260 1.00 0.00 N ATOM 1275 CA ASN A 87 4.480 10.295 -2.844 1.00 0.00 C ATOM 1276 C ASN A 87 5.546 11.352 -2.546 1.00 0.00 C ATOM 1277 O ASN A 87 6.481 11.100 -1.788 1.00 0.00 O ATOM 1278 CB ASN A 87 3.156 10.779 -2.248 1.00 0.00 C ATOM 1279 CG ASN A 87 3.058 10.416 -0.765 1.00 0.00 C ATOM 1280 OD1 ASN A 87 4.030 10.439 -0.028 1.00 0.00 O ATOM 1281 ND2 ASN A 87 1.833 10.082 -0.370 1.00 0.00 N ATOM 0 H ASN A 87 5.692 9.083 -1.638 1.00 0.00 H new ATOM 0 HA ASN A 87 4.360 10.148 -3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.072 11.859 -2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.323 10.332 -2.791 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.663 9.824 0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.063 10.084 -1.039 1.00 0.00 H new ATOM 1288 N ILE A 88 5.369 12.514 -3.159 1.00 0.00 N ATOM 1289 CA ILE A 88 6.304 13.610 -2.970 1.00 0.00 C ATOM 1290 C ILE A 88 6.555 13.808 -1.473 1.00 0.00 C ATOM 1291 O ILE A 88 7.656 14.176 -1.068 1.00 0.00 O ATOM 1292 CB ILE A 88 5.805 14.869 -3.682 1.00 0.00 C ATOM 1293 CG1 ILE A 88 6.922 15.907 -3.806 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.568 15.438 -2.985 1.00 0.00 C ATOM 1295 CD1 ILE A 88 7.003 16.457 -5.231 1.00 0.00 C ATOM 0 H ILE A 88 4.592 12.720 -3.787 1.00 0.00 H new ATOM 0 HA ILE A 88 7.265 13.374 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 88 5.507 14.595 -4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.744 16.724 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.875 15.455 -3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.233 16.332 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.772 14.694 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.816 15.694 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.805 17.193 -5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.206 15.641 -5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.056 16.930 -5.493 1.00 0.00 H new ATOM 1307 N ALA A 89 5.514 13.554 -0.693 1.00 0.00 N ATOM 1308 CA ALA A 89 5.607 13.700 0.750 1.00 0.00 C ATOM 1309 C ALA A 89 6.576 12.653 1.302 1.00 0.00 C ATOM 1310 O ALA A 89 7.307 12.919 2.255 1.00 0.00 O ATOM 1311 CB ALA A 89 4.211 13.585 1.366 1.00 0.00 C ATOM 0 H ALA A 89 4.602 13.248 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 89 5.999 14.683 1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.281 13.694 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.570 14.369 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.787 12.610 1.127 1.00 0.00 H new ATOM 1317 N GLY A 90 6.551 11.483 0.681 1.00 0.00 N ATOM 1318 CA GLY A 90 7.418 10.394 1.098 1.00 0.00 C ATOM 1319 C GLY A 90 6.665 9.062 1.097 1.00 0.00 C ATOM 1320 O GLY A 90 6.379 8.507 0.037 1.00 0.00 O ATOM 0 H GLY A 90 5.943 11.265 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.276 10.331 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.806 10.596 2.096 1.00 0.00 H new ATOM 1324 N ARG A 91 6.364 8.588 2.297 1.00 0.00 N ATOM 1325 CA ARG A 91 5.650 7.332 2.448 1.00 0.00 C ATOM 1326 C ARG A 91 4.558 7.466 3.511 1.00 0.00 C ATOM 1327 O ARG A 91 4.513 8.458 4.238 1.00 0.00 O ATOM 1328 CB ARG A 91 6.602 6.201 2.845 1.00 0.00 C ATOM 1329 CG ARG A 91 7.483 6.615 4.025 1.00 0.00 C ATOM 1330 CD ARG A 91 7.334 5.635 5.191 1.00 0.00 C ATOM 1331 NE ARG A 91 8.645 5.422 5.844 1.00 0.00 N ATOM 1332 CZ ARG A 91 8.837 4.616 6.896 1.00 0.00 C ATOM 1333 NH1 ARG A 91 7.805 3.942 7.422 1.00 0.00 N ATOM 1334 NH2 ARG A 91 10.062 4.483 7.423 1.00 0.00 N ATOM 0 H ARG A 91 6.602 9.051 3.174 1.00 0.00 H new ATOM 0 HA ARG A 91 5.198 7.091 1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.028 5.313 3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.229 5.933 1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.525 6.654 3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.211 7.619 4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.617 6.024 5.914 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.940 4.685 4.830 1.00 0.00 H new ATOM 0 HE ARG A 91 9.452 5.920 5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.873 4.043 7.021 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.952 3.328 8.223 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.848 4.996 7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.209 3.869 8.224 1.00 0.00 H new ATOM 1348 N SER A 92 3.705 6.454 3.568 1.00 0.00 N ATOM 1349 CA SER A 92 2.616 6.447 4.530 1.00 0.00 C ATOM 1350 C SER A 92 2.674 5.175 5.377 1.00 0.00 C ATOM 1351 O SER A 92 3.590 4.368 5.229 1.00 0.00 O ATOM 1352 CB SER A 92 1.260 6.557 3.829 1.00 0.00 C ATOM 1353 OG SER A 92 0.902 5.346 3.168 1.00 0.00 O ATOM 0 H SER A 92 3.746 5.633 2.964 1.00 0.00 H new ATOM 0 HA SER A 92 2.729 7.314 5.180 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.493 6.811 4.561 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.291 7.370 3.104 1.00 0.00 H new ATOM 0 HG SER A 92 0.346 5.551 2.388 1.00 0.00 H new ATOM 1359 N GLU A 93 1.684 5.035 6.247 1.00 0.00 N ATOM 1360 CA GLU A 93 1.611 3.874 7.118 1.00 0.00 C ATOM 1361 C GLU A 93 1.529 2.592 6.287 1.00 0.00 C ATOM 1362 O GLU A 93 0.753 2.512 5.337 1.00 0.00 O ATOM 1363 CB GLU A 93 0.425 3.983 8.078 1.00 0.00 C ATOM 1364 CG GLU A 93 -0.039 2.598 8.535 1.00 0.00 C ATOM 1365 CD GLU A 93 -0.597 2.648 9.959 1.00 0.00 C ATOM 1366 OE1 GLU A 93 -1.320 3.625 10.250 1.00 0.00 O ATOM 1367 OE2 GLU A 93 -0.287 1.709 10.723 1.00 0.00 O ATOM 0 H GLU A 93 0.926 5.707 6.367 1.00 0.00 H new ATOM 0 HA GLU A 93 2.520 3.836 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.708 4.580 8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -0.398 4.503 7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.804 2.224 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.796 1.899 8.492 1.00 0.00 H new ATOM 1374 N PRO A 94 2.362 1.594 6.687 1.00 0.00 N ATOM 1375 CA PRO A 94 2.391 0.319 5.990 1.00 0.00 C ATOM 1376 C PRO A 94 1.161 -0.522 6.336 1.00 0.00 C ATOM 1377 O PRO A 94 0.913 -0.816 7.504 1.00 0.00 O ATOM 1378 CB PRO A 94 3.696 -0.333 6.417 1.00 0.00 C ATOM 1379 CG PRO A 94 4.125 0.384 7.686 1.00 0.00 C ATOM 1380 CD PRO A 94 3.295 1.652 7.808 1.00 0.00 C ATOM 0 HA PRO A 94 2.353 0.430 4.906 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.559 -1.399 6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.453 -0.237 5.639 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.975 -0.256 8.555 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.187 0.625 7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.767 1.689 8.761 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.922 2.542 7.756 1.00 0.00 H new ATOM 1388 N ALA A 95 0.422 -0.887 5.298 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.776 -1.689 5.477 1.00 0.00 C ATOM 1390 C ALA A 95 -0.380 -3.155 5.667 1.00 0.00 C ATOM 1391 O ALA A 95 -0.806 -4.021 4.904 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.709 -1.488 4.281 1.00 0.00 C ATOM 0 H ALA A 95 0.630 -0.642 4.330 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.317 -1.375 6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.608 -2.090 4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.984 -0.436 4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.200 -1.795 3.367 1.00 0.00 H new ATOM 1398 N THR A 96 0.432 -3.388 6.688 1.00 0.00 N ATOM 1399 CA THR A 96 0.890 -4.734 6.988 1.00 0.00 C ATOM 1400 C THR A 96 -0.278 -5.720 6.933 1.00 0.00 C ATOM 1401 O THR A 96 -1.394 -5.389 7.332 1.00 0.00 O ATOM 1402 CB THR A 96 1.595 -4.702 8.345 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.404 -3.530 8.289 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.602 -5.842 8.510 1.00 0.00 C ATOM 0 H THR A 96 0.784 -2.667 7.318 1.00 0.00 H new ATOM 0 HA THR A 96 1.604 -5.084 6.243 1.00 0.00 H new ATOM 0 HB THR A 96 0.852 -4.757 9.140 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.896 -3.431 9.131 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.073 -5.772 9.490 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.086 -6.798 8.423 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.365 -5.769 7.735 1.00 0.00 H new ATOM 1412 N LEU A 97 0.018 -6.911 6.435 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.994 -7.948 6.322 1.00 0.00 C ATOM 1414 C LEU A 97 -1.430 -8.383 7.723 1.00 0.00 C ATOM 1415 O LEU A 97 -0.633 -8.360 8.660 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.488 -9.098 5.450 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.718 -8.950 3.944 1.00 0.00 C ATOM 1418 CD1 LEU A 97 0.016 -10.044 3.167 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.213 -8.920 3.618 1.00 0.00 C ATOM 0 H LEU A 97 0.944 -7.182 6.105 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.880 -7.563 5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.581 -9.216 5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.969 -10.018 5.782 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.300 -7.995 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.164 -9.916 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.086 -9.976 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.350 -11.021 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.349 -8.814 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.677 -9.848 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.680 -8.077 4.127 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.693 -8.772 7.821 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.244 -9.212 9.091 1.00 0.00 C ATOM 1433 C LEU A 98 -2.637 -10.566 9.463 1.00 0.00 C ATOM 1434 O LEU A 98 -2.657 -10.961 10.628 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.773 -9.216 9.040 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.436 -7.881 8.697 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -6.351 -8.019 7.479 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -6.177 -7.310 9.908 1.00 0.00 C ATOM 0 H LEU A 98 -3.350 -8.791 7.041 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.977 -8.514 9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.090 -9.956 8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.148 -9.547 10.008 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.654 -7.170 8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.809 -7.055 7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.766 -8.349 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.130 -8.751 7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.639 -6.361 9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.948 -8.011 10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.472 -7.151 10.724 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.112 -11.241 8.451 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.501 -12.543 8.657 1.00 0.00 C ATOM 1452 C GLN A 99 -0.384 -12.773 7.637 1.00 0.00 C ATOM 1453 O GLN A 99 -0.427 -12.234 6.532 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.547 -13.658 8.585 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.367 -13.724 9.875 1.00 0.00 C ATOM 1456 CD GLN A 99 -3.641 -15.175 10.276 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -4.728 -15.701 10.097 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -2.599 -15.791 10.827 1.00 0.00 N ATOM 0 H GLN A 99 -2.097 -10.911 7.486 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.065 -12.563 9.656 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.210 -13.486 7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.053 -14.615 8.414 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.831 -13.216 10.677 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.311 -13.196 9.738 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.717 -15.293 10.948 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.682 -16.762 11.129 1.00 0.00 H new ATOM 1467 N PRO A 100 0.616 -13.595 8.054 1.00 0.00 N ATOM 1468 CA PRO A 100 1.742 -13.903 7.189 1.00 0.00 C ATOM 1469 C PRO A 100 1.339 -14.892 6.094 1.00 0.00 C ATOM 1470 O PRO A 100 0.207 -15.375 6.075 1.00 0.00 O ATOM 1471 CB PRO A 100 2.814 -14.450 8.118 1.00 0.00 C ATOM 1472 CG PRO A 100 2.091 -14.862 9.391 1.00 0.00 C ATOM 1473 CD PRO A 100 0.700 -14.252 9.356 1.00 0.00 C ATOM 0 HA PRO A 100 2.109 -13.030 6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.325 -15.300 7.667 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.573 -13.696 8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.030 -15.948 9.461 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.637 -14.517 10.269 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.070 -15.016 9.465 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.559 -13.540 10.169 1.00 0.00 H new ATOM 1481 N VAL A 101 2.286 -15.164 5.209 1.00 0.00 N ATOM 1482 CA VAL A 101 2.043 -16.087 4.113 1.00 0.00 C ATOM 1483 C VAL A 101 3.045 -17.240 4.192 1.00 0.00 C ATOM 1484 O VAL A 101 4.236 -17.019 4.406 1.00 0.00 O ATOM 1485 CB VAL A 101 2.095 -15.341 2.779 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.159 -16.320 1.605 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.904 -14.391 2.636 1.00 0.00 C ATOM 0 H VAL A 101 3.223 -14.762 5.228 1.00 0.00 H new ATOM 0 HA VAL A 101 1.045 -16.517 4.191 1.00 0.00 H new ATOM 0 HB VAL A 101 3.006 -14.742 2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.195 -15.763 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.053 -16.938 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.275 -16.957 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.965 -13.873 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.024 -14.961 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.921 -13.661 3.445 1.00 0.00 H new ATOM 1497 N THR A 102 2.526 -18.447 4.015 1.00 0.00 N ATOM 1498 CA THR A 102 3.361 -19.635 4.064 1.00 0.00 C ATOM 1499 C THR A 102 4.097 -19.824 2.736 1.00 0.00 C ATOM 1500 O THR A 102 5.101 -20.533 2.674 1.00 0.00 O ATOM 1501 CB THR A 102 2.472 -20.822 4.440 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.731 -21.024 5.826 1.00 0.00 O ATOM 1503 CG2 THR A 102 2.927 -22.126 3.782 1.00 0.00 C ATOM 0 H THR A 102 1.538 -18.627 3.838 1.00 0.00 H new ATOM 0 HA THR A 102 4.140 -19.541 4.821 1.00 0.00 H new ATOM 0 HB THR A 102 1.442 -20.610 4.151 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.194 -21.775 6.153 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.262 -22.936 4.082 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.899 -22.016 2.698 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.945 -22.356 4.097 1.00 0.00 H new ATOM 1511 N ILE A 103 3.570 -19.178 1.706 1.00 0.00 N ATOM 1512 CA ILE A 103 4.165 -19.266 0.383 1.00 0.00 C ATOM 1513 C ILE A 103 4.083 -20.711 -0.113 1.00 0.00 C ATOM 1514 O ILE A 103 4.889 -21.553 0.280 1.00 0.00 O ATOM 1515 CB ILE A 103 5.586 -18.700 0.396 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.606 -17.279 0.964 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.217 -18.770 -0.996 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.970 -16.289 -0.015 1.00 0.00 C ATOM 0 H ILE A 103 2.737 -18.591 1.761 1.00 0.00 H new ATOM 0 HA ILE A 103 3.609 -18.653 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 103 6.194 -19.319 1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.069 -17.255 1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.634 -16.981 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.227 -18.361 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.258 -19.808 -1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.617 -18.190 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.997 -15.287 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.524 -16.298 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.935 -16.576 -0.202 1.00 0.00 H new ATOM 1530 N ARG A 104 3.102 -20.954 -0.969 1.00 0.00 N ATOM 1531 CA ARG A 104 2.904 -22.282 -1.523 1.00 0.00 C ATOM 1532 C ARG A 104 1.745 -22.274 -2.522 1.00 0.00 C ATOM 1533 O ARG A 104 0.794 -21.509 -2.369 1.00 0.00 O ATOM 1534 CB ARG A 104 2.610 -23.301 -0.420 1.00 0.00 C ATOM 1535 CG ARG A 104 3.725 -24.344 -0.326 1.00 0.00 C ATOM 1536 CD ARG A 104 3.994 -24.729 1.131 1.00 0.00 C ATOM 1537 NE ARG A 104 3.211 -25.932 1.490 1.00 0.00 N ATOM 1538 CZ ARG A 104 3.539 -27.179 1.124 1.00 0.00 C ATOM 1539 NH1 ARG A 104 4.637 -27.394 0.387 1.00 0.00 N ATOM 1540 NH2 ARG A 104 2.769 -28.210 1.496 1.00 0.00 N ATOM 0 H ARG A 104 2.435 -20.253 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 104 3.824 -22.569 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.506 -22.788 0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.660 -23.796 -0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.447 -25.231 -0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.636 -23.949 -0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.057 -24.921 1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.728 -23.902 1.789 1.00 0.00 H new ATOM 0 HE ARG A 104 2.369 -25.804 2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.223 -26.609 0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.887 -28.343 0.109 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.933 -28.046 2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.018 -29.159 1.218 1.00 0.00 H new ATOM 1554 N GLU A 105 1.862 -23.134 -3.523 1.00 0.00 N ATOM 1555 CA GLU A 105 0.836 -23.235 -4.547 1.00 0.00 C ATOM 1556 C GLU A 105 -0.124 -24.382 -4.225 1.00 0.00 C ATOM 1557 O GLU A 105 0.171 -25.224 -3.379 1.00 0.00 O ATOM 1558 CB GLU A 105 1.460 -23.414 -5.933 1.00 0.00 C ATOM 1559 CG GLU A 105 0.639 -22.690 -7.002 1.00 0.00 C ATOM 1560 CD GLU A 105 0.184 -23.660 -8.094 1.00 0.00 C ATOM 1561 OE1 GLU A 105 1.038 -24.006 -8.938 1.00 0.00 O ATOM 1562 OE2 GLU A 105 -1.009 -24.033 -8.060 1.00 0.00 O ATOM 0 H GLU A 105 2.652 -23.767 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 105 0.268 -22.305 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.479 -23.028 -5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.522 -24.475 -6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.231 -22.221 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.235 -21.892 -7.445 1.00 0.00 H new ATOM 1569 N SER A 106 -1.254 -24.377 -4.917 1.00 0.00 N ATOM 1570 CA SER A 106 -2.259 -25.407 -4.715 1.00 0.00 C ATOM 1571 C SER A 106 -3.118 -25.553 -5.973 1.00 0.00 C ATOM 1572 O SER A 106 -3.761 -24.597 -6.404 1.00 0.00 O ATOM 1573 CB SER A 106 -3.139 -25.088 -3.506 1.00 0.00 C ATOM 1574 OG SER A 106 -4.192 -24.185 -3.834 1.00 0.00 O ATOM 0 H SER A 106 -1.496 -23.676 -5.618 1.00 0.00 H new ATOM 0 HA SER A 106 -1.748 -26.350 -4.520 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.563 -26.012 -3.113 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.525 -24.657 -2.715 1.00 0.00 H new ATOM 0 HG SER A 106 -4.064 -23.851 -4.746 1.00 0.00 H new ATOM 1580 N GLY A 107 -3.101 -26.757 -6.526 1.00 0.00 N ATOM 1581 CA GLY A 107 -3.870 -27.040 -7.726 1.00 0.00 C ATOM 1582 C GLY A 107 -5.259 -27.575 -7.373 1.00 0.00 C ATOM 1583 O GLY A 107 -5.910 -27.068 -6.460 1.00 0.00 O ATOM 0 H GLY A 107 -2.567 -27.548 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.967 -26.133 -8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.340 -27.770 -8.338 1.00 0.00 H new ATOM 1587 N PRO A 108 -5.684 -28.619 -8.133 1.00 0.00 N ATOM 1588 CA PRO A 108 -6.984 -29.228 -7.910 1.00 0.00 C ATOM 1589 C PRO A 108 -6.971 -30.103 -6.655 1.00 0.00 C ATOM 1590 O PRO A 108 -6.530 -31.251 -6.698 1.00 0.00 O ATOM 1591 CB PRO A 108 -7.274 -30.014 -9.178 1.00 0.00 C ATOM 1592 CG PRO A 108 -5.933 -30.196 -9.871 1.00 0.00 C ATOM 1593 CD PRO A 108 -4.940 -29.246 -9.223 1.00 0.00 C ATOM 0 HA PRO A 108 -7.767 -28.492 -7.726 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -7.727 -30.978 -8.945 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -7.975 -29.478 -9.818 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.592 -31.227 -9.777 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.023 -29.986 -10.937 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.066 -29.780 -8.850 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.580 -28.504 -9.935 1.00 0.00 H new ATOM 1601 N SER A 109 -7.460 -29.528 -5.566 1.00 0.00 N ATOM 1602 CA SER A 109 -7.511 -30.241 -4.301 1.00 0.00 C ATOM 1603 C SER A 109 -8.689 -29.739 -3.464 1.00 0.00 C ATOM 1604 O SER A 109 -8.722 -28.574 -3.068 1.00 0.00 O ATOM 1605 CB SER A 109 -6.202 -30.080 -3.526 1.00 0.00 C ATOM 1606 OG SER A 109 -6.332 -30.491 -2.167 1.00 0.00 O ATOM 0 H SER A 109 -7.825 -28.576 -5.534 1.00 0.00 H new ATOM 0 HA SER A 109 -7.650 -31.302 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.420 -30.666 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.886 -29.037 -3.561 1.00 0.00 H new ATOM 0 HG SER A 109 -5.475 -30.374 -1.707 1.00 0.00 H new ATOM 1612 N SER A 110 -9.627 -30.642 -3.219 1.00 0.00 N ATOM 1613 CA SER A 110 -10.804 -30.305 -2.436 1.00 0.00 C ATOM 1614 C SER A 110 -11.008 -31.339 -1.327 1.00 0.00 C ATOM 1615 O SER A 110 -11.044 -30.992 -0.148 1.00 0.00 O ATOM 1616 CB SER A 110 -12.049 -30.222 -3.321 1.00 0.00 C ATOM 1617 OG SER A 110 -12.198 -31.376 -4.143 1.00 0.00 O ATOM 0 H SER A 110 -9.596 -31.607 -3.549 1.00 0.00 H new ATOM 0 HA SER A 110 -10.646 -29.325 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.933 -30.108 -2.693 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.988 -29.334 -3.950 1.00 0.00 H new ATOM 0 HG SER A 110 -13.005 -31.285 -4.691 1.00 0.00 H new ATOM 1623 N GLY A 111 -11.137 -32.590 -1.745 1.00 0.00 N ATOM 1624 CA GLY A 111 -11.337 -33.677 -0.802 1.00 0.00 C ATOM 1625 C GLY A 111 -10.631 -34.949 -1.275 1.00 0.00 C ATOM 1626 O GLY A 111 -10.414 -35.871 -0.490 1.00 0.00 O ATOM 0 H GLY A 111 -11.107 -32.875 -2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -10.956 -33.388 0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -12.403 -33.870 -0.685 1.00 0.00 H new TER 1630 GLY A 111