USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 757 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 70 MET CE :methyl -115:sc= -4.02! (180deg=-8.84!) USER MOD Set 1.2: A 73 ASN : amide:sc= -6.07! C(o=-10!,f=-22!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0145) USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 26 THR OG1 : rot 160:sc= 0.0496 USER MOD Set 3.2: A 64 GLN : amide:sc= 0.299 K(o=0.35,f=-0.23) USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 53 SER OG : rot 126:sc= 0.0149 USER MOD Set 4.3: A 66 HIS : no HE2:sc= 0.0163 X(o=0.031,f=-0.05) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0808 (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 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 170:sc= -0.964 USER MOD Single : A 16 ASN : amide:sc= -0.537 X(o=-0.54,f=-1) USER MOD Single : A 20 MET CE :methyl -160:sc= -1.31 (180deg=-2.53!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 29 CYS SG : rot 18:sc= -0.274 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -138:sc= -0.211 (180deg=-1.7!) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0753) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.628 USER MOD Single : A 78 CYS SG : rot 108:sc= 0.00448 USER MOD Single : A 80 CYS SG : rot -120:sc= 0.836 USER MOD Single : A 82 GLN : amide:sc= -0.777 K(o=-0.78,f=-1.6!) USER MOD Single : A 85 THR OG1 : rot 130:sc= 0.0365 USER MOD Single : A 86 SER OG : rot -15:sc= -0.239 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.755 20.734 -17.832 1.00 0.00 N ATOM 2 CA GLY A 1 6.736 20.034 -17.024 1.00 0.00 C ATOM 3 C GLY A 1 7.268 20.887 -15.890 1.00 0.00 C ATOM 4 O GLY A 1 7.061 22.100 -15.866 1.00 0.00 O ATOM 0 H1 GLY A 1 4.802 20.390 -17.597 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.812 21.755 -17.640 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.947 20.560 -18.839 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.286 19.130 -16.614 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.565 19.719 -17.657 1.00 0.00 H new ATOM 8 N SER A 2 7.955 20.252 -14.946 1.00 0.00 N ATOM 9 CA SER A 2 8.514 20.960 -13.800 1.00 0.00 C ATOM 10 C SER A 2 10.039 20.936 -13.838 1.00 0.00 C ATOM 11 O SER A 2 10.661 19.898 -13.610 1.00 0.00 O ATOM 12 CB SER A 2 8.015 20.336 -12.495 1.00 0.00 C ATOM 13 OG SER A 2 6.603 20.406 -12.404 1.00 0.00 O ATOM 0 H SER A 2 8.138 19.249 -14.952 1.00 0.00 H new ATOM 0 HA SER A 2 8.183 21.997 -13.848 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.335 19.295 -12.440 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.463 20.853 -11.646 1.00 0.00 H new ATOM 0 HG SER A 2 6.309 19.999 -11.562 1.00 0.00 H new ATOM 19 N SER A 3 10.636 22.088 -14.128 1.00 0.00 N ATOM 20 CA SER A 3 12.088 22.200 -14.199 1.00 0.00 C ATOM 21 C SER A 3 12.601 23.251 -13.219 1.00 0.00 C ATOM 22 O SER A 3 13.487 24.040 -13.545 1.00 0.00 O ATOM 23 CB SER A 3 12.523 22.557 -15.622 1.00 0.00 C ATOM 24 OG SER A 3 12.478 21.422 -16.469 1.00 0.00 O ATOM 0 H SER A 3 10.136 22.957 -14.318 1.00 0.00 H new ATOM 0 HA SER A 3 12.516 21.235 -13.926 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.873 23.337 -16.019 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.535 22.962 -15.605 1.00 0.00 H new ATOM 0 HG SER A 3 12.759 21.677 -17.373 1.00 0.00 H new ATOM 30 N GLY A 4 12.037 23.254 -12.015 1.00 0.00 N ATOM 31 CA GLY A 4 12.449 24.211 -11.006 1.00 0.00 C ATOM 32 C GLY A 4 12.242 23.693 -9.596 1.00 0.00 C ATOM 33 O GLY A 4 12.944 22.784 -9.153 1.00 0.00 O ATOM 0 H GLY A 4 11.302 22.611 -11.721 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.502 24.455 -11.149 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.887 25.136 -11.136 1.00 0.00 H new ATOM 37 N SER A 5 11.276 24.272 -8.890 1.00 0.00 N ATOM 38 CA SER A 5 10.982 23.866 -7.521 1.00 0.00 C ATOM 39 C SER A 5 9.917 22.775 -7.494 1.00 0.00 C ATOM 40 O SER A 5 8.767 23.004 -7.869 1.00 0.00 O ATOM 41 CB SER A 5 10.516 25.070 -6.699 1.00 0.00 C ATOM 42 OG SER A 5 10.750 24.864 -5.316 1.00 0.00 O ATOM 0 H SER A 5 10.684 25.024 -9.244 1.00 0.00 H new ATOM 0 HA SER A 5 11.897 23.467 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.041 25.966 -7.030 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.453 25.242 -6.870 1.00 0.00 H new ATOM 0 HG SER A 5 10.445 25.648 -4.812 1.00 0.00 H new ATOM 48 N SER A 6 10.309 21.585 -7.048 1.00 0.00 N ATOM 49 CA SER A 6 9.390 20.456 -6.975 1.00 0.00 C ATOM 50 C SER A 6 9.929 19.375 -6.043 1.00 0.00 C ATOM 51 O SER A 6 11.109 19.031 -6.090 1.00 0.00 O ATOM 52 CB SER A 6 9.155 19.871 -8.369 1.00 0.00 C ATOM 53 OG SER A 6 10.367 19.403 -8.937 1.00 0.00 O ATOM 0 H SER A 6 11.257 21.379 -6.732 1.00 0.00 H new ATOM 0 HA SER A 6 8.442 20.817 -6.575 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.439 19.052 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.716 20.630 -9.016 1.00 0.00 H new ATOM 0 HG SER A 6 10.190 19.032 -9.827 1.00 0.00 H new ATOM 59 N GLY A 7 9.054 18.844 -5.194 1.00 0.00 N ATOM 60 CA GLY A 7 9.460 17.808 -4.262 1.00 0.00 C ATOM 61 C GLY A 7 8.443 17.590 -3.159 1.00 0.00 C ATOM 62 O GLY A 7 8.169 18.495 -2.371 1.00 0.00 O ATOM 0 H GLY A 7 8.072 19.113 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.610 16.874 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.419 18.077 -3.820 1.00 0.00 H new ATOM 66 N ALA A 8 7.882 16.387 -3.103 1.00 0.00 N ATOM 67 CA ALA A 8 6.890 16.053 -2.088 1.00 0.00 C ATOM 68 C ALA A 8 7.416 14.984 -1.137 1.00 0.00 C ATOM 69 O ALA A 8 8.132 14.071 -1.549 1.00 0.00 O ATOM 70 CB ALA A 8 5.599 15.588 -2.745 1.00 0.00 C ATOM 0 H ALA A 8 8.097 15.627 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 8 6.686 16.951 -1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.867 15.342 -1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.206 16.383 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.797 14.705 -3.353 1.00 0.00 H new ATOM 76 N ARG A 9 7.058 15.104 0.137 1.00 0.00 N ATOM 77 CA ARG A 9 7.496 14.149 1.148 1.00 0.00 C ATOM 78 C ARG A 9 6.324 13.311 1.649 1.00 0.00 C ATOM 79 O ARG A 9 5.191 13.475 1.195 1.00 0.00 O ATOM 80 CB ARG A 9 8.153 14.880 2.320 1.00 0.00 C ATOM 81 CG ARG A 9 7.303 16.004 2.890 1.00 0.00 C ATOM 82 CD ARG A 9 7.569 17.320 2.176 1.00 0.00 C ATOM 83 NE ARG A 9 8.677 18.056 2.779 1.00 0.00 N ATOM 84 CZ ARG A 9 8.654 18.533 4.018 1.00 0.00 C ATOM 85 NH1 ARG A 9 7.585 18.352 4.782 1.00 0.00 N ATOM 86 NH2 ARG A 9 9.701 19.193 4.497 1.00 0.00 N ATOM 0 H ARG A 9 6.465 15.854 0.494 1.00 0.00 H new ATOM 0 HA ARG A 9 8.226 13.482 0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.368 14.161 3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.109 15.289 1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.248 15.746 2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.513 16.117 3.954 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.792 17.125 1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.669 17.935 2.202 1.00 0.00 H new ATOM 0 HE ARG A 9 9.514 18.212 2.218 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.778 17.845 4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.570 18.719 5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.525 19.335 3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.681 19.559 5.449 1.00 0.00 H new ATOM 100 N PHE A 10 6.603 12.412 2.586 1.00 0.00 N ATOM 101 CA PHE A 10 5.573 11.547 3.148 1.00 0.00 C ATOM 102 C PHE A 10 5.067 12.097 4.479 1.00 0.00 C ATOM 103 O PHE A 10 5.737 11.983 5.506 1.00 0.00 O ATOM 104 CB PHE A 10 6.116 10.130 3.342 1.00 0.00 C ATOM 105 CG PHE A 10 6.415 9.421 2.052 1.00 0.00 C ATOM 106 CD1 PHE A 10 5.404 8.798 1.338 1.00 0.00 C ATOM 107 CD2 PHE A 10 7.707 9.377 1.554 1.00 0.00 C ATOM 108 CE1 PHE A 10 5.676 8.145 0.151 1.00 0.00 C ATOM 109 CE2 PHE A 10 7.986 8.725 0.367 1.00 0.00 C ATOM 110 CZ PHE A 10 6.969 8.109 -0.335 1.00 0.00 C ATOM 0 H PHE A 10 7.535 12.263 2.973 1.00 0.00 H new ATOM 0 HA PHE A 10 4.739 11.516 2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.026 10.177 3.941 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.391 9.546 3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.392 8.823 1.714 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.506 9.858 2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.879 7.663 -0.396 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.998 8.698 -0.010 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.184 7.600 -1.263 1.00 0.00 H new ATOM 120 N THR A 11 3.880 12.694 4.453 1.00 0.00 N ATOM 121 CA THR A 11 3.284 13.264 5.655 1.00 0.00 C ATOM 122 C THR A 11 2.985 12.181 6.686 1.00 0.00 C ATOM 123 O THR A 11 3.113 12.405 7.889 1.00 0.00 O ATOM 124 CB THR A 11 1.984 14.023 5.332 1.00 0.00 C ATOM 125 OG1 THR A 11 0.861 13.142 5.445 1.00 0.00 O ATOM 126 CG2 THR A 11 2.035 14.611 3.930 1.00 0.00 C ATOM 0 H THR A 11 3.312 12.795 3.612 1.00 0.00 H new ATOM 0 HA THR A 11 4.011 13.964 6.067 1.00 0.00 H new ATOM 0 HB THR A 11 1.878 14.839 6.047 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.031 13.662 5.398 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.106 15.142 3.724 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.873 15.304 3.856 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.162 13.809 3.203 1.00 0.00 H new ATOM 134 N GLU A 12 2.586 11.007 6.206 1.00 0.00 N ATOM 135 CA GLU A 12 2.268 9.890 7.087 1.00 0.00 C ATOM 136 C GLU A 12 3.027 8.634 6.669 1.00 0.00 C ATOM 137 O GLU A 12 3.479 7.860 7.511 1.00 0.00 O ATOM 138 CB GLU A 12 0.762 9.617 7.078 1.00 0.00 C ATOM 139 CG GLU A 12 -0.009 10.427 8.106 1.00 0.00 C ATOM 140 CD GLU A 12 0.312 10.020 9.531 1.00 0.00 C ATOM 141 OE1 GLU A 12 1.310 10.528 10.083 1.00 0.00 O ATOM 142 OE2 GLU A 12 -0.434 9.192 10.094 1.00 0.00 O ATOM 0 H GLU A 12 2.475 10.805 5.212 1.00 0.00 H new ATOM 0 HA GLU A 12 2.575 10.159 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.368 9.835 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.592 8.556 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.219 11.485 7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.078 10.307 7.930 1.00 0.00 H new ATOM 149 N GLY A 13 3.161 8.439 5.360 1.00 0.00 N ATOM 150 CA GLY A 13 3.864 7.276 4.852 1.00 0.00 C ATOM 151 C GLY A 13 2.980 6.046 4.787 1.00 0.00 C ATOM 152 O GLY A 13 1.781 6.148 4.524 1.00 0.00 O ATOM 0 H GLY A 13 2.795 9.066 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.250 7.495 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.724 7.068 5.489 1.00 0.00 H new ATOM 156 N LEU A 14 3.572 4.881 5.026 1.00 0.00 N ATOM 157 CA LEU A 14 2.830 3.625 4.992 1.00 0.00 C ATOM 158 C LEU A 14 2.870 2.933 6.351 1.00 0.00 C ATOM 159 O LEU A 14 3.939 2.575 6.845 1.00 0.00 O ATOM 160 CB LEU A 14 3.404 2.700 3.918 1.00 0.00 C ATOM 161 CG LEU A 14 2.828 2.866 2.511 1.00 0.00 C ATOM 162 CD1 LEU A 14 3.797 2.328 1.471 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.481 2.166 2.401 1.00 0.00 C ATOM 0 H LEU A 14 4.563 4.780 5.245 1.00 0.00 H new ATOM 0 HA LEU A 14 1.791 3.851 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.481 2.858 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.247 1.669 4.234 1.00 0.00 H new ATOM 0 HG LEU A 14 2.679 3.929 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.370 2.455 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.738 2.874 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.978 1.269 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.086 2.294 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.605 1.103 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.786 2.598 3.121 1.00 0.00 H new ATOM 175 N ARG A 15 1.698 2.745 6.948 1.00 0.00 N ATOM 176 CA ARG A 15 1.598 2.094 8.249 1.00 0.00 C ATOM 177 C ARG A 15 1.434 0.585 8.090 1.00 0.00 C ATOM 178 O ARG A 15 0.993 0.105 7.047 1.00 0.00 O ATOM 179 CB ARG A 15 0.421 2.666 9.041 1.00 0.00 C ATOM 180 CG ARG A 15 -0.036 1.773 10.183 1.00 0.00 C ATOM 181 CD ARG A 15 0.963 1.779 11.329 1.00 0.00 C ATOM 182 NE ARG A 15 0.913 0.544 12.106 1.00 0.00 N ATOM 183 CZ ARG A 15 1.324 0.451 13.366 1.00 0.00 C ATOM 184 NH1 ARG A 15 1.814 1.515 13.987 1.00 0.00 N ATOM 185 NH2 ARG A 15 1.246 -0.708 14.007 1.00 0.00 N ATOM 0 H ARG A 15 0.804 3.034 6.552 1.00 0.00 H new ATOM 0 HA ARG A 15 2.521 2.286 8.796 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.703 3.639 9.443 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.416 2.831 8.363 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.007 2.111 10.544 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.168 0.754 9.819 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.969 1.917 10.932 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.759 2.627 11.983 1.00 0.00 H new ATOM 0 HE ARG A 15 0.542 -0.293 11.657 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.876 2.408 13.497 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.129 1.441 14.954 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.870 -1.529 13.532 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.562 -0.778 14.974 1.00 0.00 H new ATOM 199 N ASN A 16 1.792 -0.157 9.133 1.00 0.00 N ATOM 200 CA ASN A 16 1.685 -1.611 9.109 1.00 0.00 C ATOM 201 C ASN A 16 0.282 -2.047 8.696 1.00 0.00 C ATOM 202 O ASN A 16 -0.713 -1.510 9.182 1.00 0.00 O ATOM 203 CB ASN A 16 2.027 -2.191 10.483 1.00 0.00 C ATOM 204 CG ASN A 16 3.319 -1.628 11.043 1.00 0.00 C ATOM 205 OD1 ASN A 16 4.147 -1.092 10.305 1.00 0.00 O ATOM 206 ND2 ASN A 16 3.498 -1.747 12.353 1.00 0.00 N ATOM 0 H ASN A 16 2.159 0.225 10.005 1.00 0.00 H new ATOM 0 HA ASN A 16 2.395 -1.990 8.374 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.212 -1.981 11.176 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.109 -3.275 10.406 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.348 -1.387 12.786 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.785 -2.198 12.926 1.00 0.00 H new ATOM 213 N GLU A 17 0.212 -3.024 7.797 1.00 0.00 N ATOM 214 CA GLU A 17 -1.068 -3.531 7.319 1.00 0.00 C ATOM 215 C GLU A 17 -1.206 -5.022 7.611 1.00 0.00 C ATOM 216 O GLU A 17 -0.214 -5.748 7.664 1.00 0.00 O ATOM 217 CB GLU A 17 -1.214 -3.278 5.817 1.00 0.00 C ATOM 218 CG GLU A 17 -2.657 -3.196 5.351 1.00 0.00 C ATOM 219 CD GLU A 17 -3.466 -2.178 6.132 1.00 0.00 C ATOM 220 OE1 GLU A 17 -3.208 -0.967 5.975 1.00 0.00 O ATOM 221 OE2 GLU A 17 -4.358 -2.595 6.901 1.00 0.00 O ATOM 0 H GLU A 17 1.027 -3.480 7.386 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.860 -3.000 7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.706 -2.348 5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.710 -4.076 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.679 -2.937 4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.123 -4.177 5.449 1.00 0.00 H new ATOM 228 N GLU A 18 -2.443 -5.471 7.799 1.00 0.00 N ATOM 229 CA GLU A 18 -2.710 -6.876 8.086 1.00 0.00 C ATOM 230 C GLU A 18 -4.015 -7.325 7.435 1.00 0.00 C ATOM 231 O GLU A 18 -5.053 -6.683 7.592 1.00 0.00 O ATOM 232 CB GLU A 18 -2.775 -7.107 9.597 1.00 0.00 C ATOM 233 CG GLU A 18 -3.130 -8.533 9.980 1.00 0.00 C ATOM 234 CD GLU A 18 -2.776 -8.857 11.419 1.00 0.00 C ATOM 235 OE1 GLU A 18 -3.160 -8.076 12.315 1.00 0.00 O ATOM 236 OE2 GLU A 18 -2.116 -9.891 11.649 1.00 0.00 O ATOM 0 H GLU A 18 -3.275 -4.883 7.758 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.894 -7.467 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.811 -6.851 10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.512 -6.430 10.028 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.198 -8.691 9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.608 -9.224 9.317 1.00 0.00 H new ATOM 243 N ALA A 19 -3.954 -8.434 6.704 1.00 0.00 N ATOM 244 CA ALA A 19 -5.129 -8.971 6.031 1.00 0.00 C ATOM 245 C ALA A 19 -5.068 -10.492 5.949 1.00 0.00 C ATOM 246 O ALA A 19 -3.987 -11.075 5.864 1.00 0.00 O ATOM 247 CB ALA A 19 -5.261 -8.370 4.639 1.00 0.00 C ATOM 0 H ALA A 19 -3.102 -8.978 6.563 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.008 -8.700 6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.143 -8.780 4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.360 -7.287 4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.374 -8.611 4.053 1.00 0.00 H new ATOM 253 N MET A 20 -6.234 -11.129 5.976 1.00 0.00 N ATOM 254 CA MET A 20 -6.311 -12.584 5.904 1.00 0.00 C ATOM 255 C MET A 20 -5.804 -13.089 4.557 1.00 0.00 C ATOM 256 O MET A 20 -5.580 -12.306 3.635 1.00 0.00 O ATOM 257 CB MET A 20 -7.751 -13.051 6.127 1.00 0.00 C ATOM 258 CG MET A 20 -8.084 -13.316 7.586 1.00 0.00 C ATOM 259 SD MET A 20 -9.562 -14.329 7.788 1.00 0.00 S ATOM 260 CE MET A 20 -8.833 -15.919 8.173 1.00 0.00 C ATOM 0 H MET A 20 -7.138 -10.661 6.047 1.00 0.00 H new ATOM 0 HA MET A 20 -5.677 -12.996 6.689 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.434 -12.295 5.738 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.922 -13.961 5.552 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.239 -13.813 8.063 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.226 -12.366 8.101 1.00 0.00 H new ATOM 0 HE1 MET A 20 -9.559 -16.709 7.979 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.952 -16.075 7.551 1.00 0.00 H new ATOM 0 HE3 MET A 20 -8.544 -15.942 9.224 1.00 0.00 H new ATOM 270 N GLU A 21 -5.624 -14.402 4.452 1.00 0.00 N ATOM 271 CA GLU A 21 -5.141 -15.010 3.218 1.00 0.00 C ATOM 272 C GLU A 21 -6.250 -15.071 2.172 1.00 0.00 C ATOM 273 O GLU A 21 -7.368 -15.496 2.460 1.00 0.00 O ATOM 274 CB GLU A 21 -4.606 -16.417 3.492 1.00 0.00 C ATOM 275 CG GLU A 21 -4.695 -17.347 2.293 1.00 0.00 C ATOM 276 CD GLU A 21 -3.913 -18.631 2.491 1.00 0.00 C ATOM 277 OE1 GLU A 21 -2.666 -18.578 2.454 1.00 0.00 O ATOM 278 OE2 GLU A 21 -4.549 -19.688 2.683 1.00 0.00 O ATOM 0 H GLU A 21 -5.805 -15.064 5.206 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.332 -14.391 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.566 -16.345 3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.163 -16.853 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.741 -17.589 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.321 -16.831 1.409 1.00 0.00 H new ATOM 285 N GLY A 22 -5.932 -14.642 0.954 1.00 0.00 N ATOM 286 CA GLY A 22 -6.911 -14.656 -0.117 1.00 0.00 C ATOM 287 C GLY A 22 -7.675 -13.350 -0.220 1.00 0.00 C ATOM 288 O GLY A 22 -8.272 -13.053 -1.254 1.00 0.00 O ATOM 0 H GLY A 22 -5.014 -14.285 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.407 -14.855 -1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.614 -15.473 0.048 1.00 0.00 H new ATOM 292 N ALA A 23 -7.657 -12.570 0.855 1.00 0.00 N ATOM 293 CA ALA A 23 -8.353 -11.289 0.881 1.00 0.00 C ATOM 294 C ALA A 23 -7.636 -10.257 0.016 1.00 0.00 C ATOM 295 O ALA A 23 -6.623 -10.557 -0.616 1.00 0.00 O ATOM 296 CB ALA A 23 -8.479 -10.786 2.311 1.00 0.00 C ATOM 0 H ALA A 23 -7.168 -12.802 1.720 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.352 -11.438 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.001 -9.829 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.041 -11.508 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.485 -10.660 2.741 1.00 0.00 H new ATOM 302 N THR A 24 -8.169 -9.039 -0.008 1.00 0.00 N ATOM 303 CA THR A 24 -7.581 -7.964 -0.796 1.00 0.00 C ATOM 304 C THR A 24 -7.027 -6.864 0.102 1.00 0.00 C ATOM 305 O THR A 24 -7.779 -6.061 0.653 1.00 0.00 O ATOM 306 CB THR A 24 -8.610 -7.350 -1.765 1.00 0.00 C ATOM 307 OG1 THR A 24 -9.196 -8.377 -2.572 1.00 0.00 O ATOM 308 CG2 THR A 24 -7.957 -6.306 -2.658 1.00 0.00 C ATOM 0 H THR A 24 -9.007 -8.773 0.509 1.00 0.00 H new ATOM 0 HA THR A 24 -6.767 -8.404 -1.372 1.00 0.00 H new ATOM 0 HB THR A 24 -9.387 -6.865 -1.175 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.850 -7.979 -3.184 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.703 -5.887 -3.333 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.538 -5.511 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.162 -6.771 -3.240 1.00 0.00 H new ATOM 316 N ALA A 25 -5.706 -6.832 0.244 1.00 0.00 N ATOM 317 CA ALA A 25 -5.051 -5.828 1.074 1.00 0.00 C ATOM 318 C ALA A 25 -5.169 -4.441 0.453 1.00 0.00 C ATOM 319 O ALA A 25 -5.209 -4.297 -0.770 1.00 0.00 O ATOM 320 CB ALA A 25 -3.588 -6.191 1.285 1.00 0.00 C ATOM 0 H ALA A 25 -5.068 -7.490 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.553 -5.808 2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.111 -5.433 1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.521 -7.160 1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.083 -6.240 0.321 1.00 0.00 H new ATOM 326 N THR A 26 -5.226 -3.420 1.302 1.00 0.00 N ATOM 327 CA THR A 26 -5.343 -2.044 0.837 1.00 0.00 C ATOM 328 C THR A 26 -4.518 -1.099 1.703 1.00 0.00 C ATOM 329 O THR A 26 -4.877 -0.815 2.847 1.00 0.00 O ATOM 330 CB THR A 26 -6.809 -1.573 0.837 1.00 0.00 C ATOM 331 OG1 THR A 26 -7.602 -2.440 0.018 1.00 0.00 O ATOM 332 CG2 THR A 26 -6.919 -0.144 0.325 1.00 0.00 C ATOM 0 H THR A 26 -5.193 -3.521 2.316 1.00 0.00 H new ATOM 0 HA THR A 26 -4.963 -2.023 -0.184 1.00 0.00 H new ATOM 0 HB THR A 26 -7.177 -1.604 1.862 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.546 -2.348 0.263 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.964 0.166 0.334 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.338 0.518 0.967 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.534 -0.092 -0.693 1.00 0.00 H new ATOM 340 N LEU A 27 -3.410 -0.614 1.152 1.00 0.00 N ATOM 341 CA LEU A 27 -2.533 0.301 1.875 1.00 0.00 C ATOM 342 C LEU A 27 -2.974 1.748 1.677 1.00 0.00 C ATOM 343 O LEU A 27 -3.958 2.018 0.989 1.00 0.00 O ATOM 344 CB LEU A 27 -1.087 0.128 1.409 1.00 0.00 C ATOM 345 CG LEU A 27 -0.408 -1.185 1.800 1.00 0.00 C ATOM 346 CD1 LEU A 27 0.844 -1.408 0.966 1.00 0.00 C ATOM 347 CD2 LEU A 27 -0.071 -1.190 3.284 1.00 0.00 C ATOM 0 H LEU A 27 -3.098 -0.839 0.207 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.596 0.063 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.063 0.217 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.496 0.952 1.809 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.101 -2.003 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.314 -2.347 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.575 -1.450 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.542 -0.587 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.412 -2.132 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.603 -0.363 3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.986 -1.078 3.865 1.00 0.00 H new ATOM 359 N GLN A 28 -2.238 2.674 2.284 1.00 0.00 N ATOM 360 CA GLN A 28 -2.552 4.093 2.173 1.00 0.00 C ATOM 361 C GLN A 28 -1.378 4.949 2.636 1.00 0.00 C ATOM 362 O GLN A 28 -0.619 4.551 3.520 1.00 0.00 O ATOM 363 CB GLN A 28 -3.798 4.427 2.995 1.00 0.00 C ATOM 364 CG GLN A 28 -4.539 5.660 2.504 1.00 0.00 C ATOM 365 CD GLN A 28 -5.815 5.922 3.279 1.00 0.00 C ATOM 366 OE1 GLN A 28 -5.826 5.887 4.509 1.00 0.00 O ATOM 367 NE2 GLN A 28 -6.900 6.187 2.560 1.00 0.00 N ATOM 0 H GLN A 28 -1.420 2.466 2.857 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.747 4.315 1.124 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.476 3.574 2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.507 4.578 4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.885 6.528 2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.779 5.538 1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.845 6.206 1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.788 6.372 3.026 1.00 0.00 H new ATOM 376 N CYS A 29 -1.235 6.124 2.035 1.00 0.00 N ATOM 377 CA CYS A 29 -0.152 7.036 2.385 1.00 0.00 C ATOM 378 C CYS A 29 -0.398 8.423 1.799 1.00 0.00 C ATOM 379 O CYS A 29 -0.768 8.557 0.633 1.00 0.00 O ATOM 380 CB CYS A 29 1.186 6.488 1.887 1.00 0.00 C ATOM 381 SG CYS A 29 1.439 6.668 0.105 1.00 0.00 S ATOM 0 H CYS A 29 -1.856 6.468 1.302 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.119 7.121 3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.994 6.999 2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.254 5.432 2.148 1.00 0.00 H new ATOM 0 HG CYS A 29 0.612 7.555 -0.363 1.00 0.00 H new ATOM 387 N GLU A 30 -0.191 9.450 2.617 1.00 0.00 N ATOM 388 CA GLU A 30 -0.393 10.827 2.179 1.00 0.00 C ATOM 389 C GLU A 30 0.940 11.493 1.848 1.00 0.00 C ATOM 390 O GLU A 30 1.970 11.178 2.446 1.00 0.00 O ATOM 391 CB GLU A 30 -1.121 11.627 3.260 1.00 0.00 C ATOM 392 CG GLU A 30 -1.912 12.805 2.716 1.00 0.00 C ATOM 393 CD GLU A 30 -2.820 13.430 3.758 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.436 13.443 4.947 1.00 0.00 O ATOM 395 OE2 GLU A 30 -3.913 13.905 3.386 1.00 0.00 O ATOM 0 H GLU A 30 0.116 9.355 3.585 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.005 10.809 1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.798 10.963 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.392 11.993 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.221 13.560 2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.512 12.474 1.868 1.00 0.00 H new ATOM 402 N LEU A 31 0.912 12.416 0.893 1.00 0.00 N ATOM 403 CA LEU A 31 2.116 13.127 0.481 1.00 0.00 C ATOM 404 C LEU A 31 1.943 14.634 0.647 1.00 0.00 C ATOM 405 O LEU A 31 0.826 15.125 0.809 1.00 0.00 O ATOM 406 CB LEU A 31 2.454 12.799 -0.974 1.00 0.00 C ATOM 407 CG LEU A 31 2.813 11.341 -1.267 1.00 0.00 C ATOM 408 CD1 LEU A 31 2.680 11.047 -2.753 1.00 0.00 C ATOM 409 CD2 LEU A 31 4.222 11.031 -0.784 1.00 0.00 C ATOM 0 H LEU A 31 0.068 12.689 0.390 1.00 0.00 H new ATOM 0 HA LEU A 31 2.936 12.801 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.602 13.074 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.290 13.427 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 31 2.116 10.700 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.939 10.005 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.653 11.229 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.352 11.696 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.460 9.990 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.933 11.680 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.284 11.201 0.291 1.00 0.00 H new ATOM 421 N SER A 32 3.054 15.361 0.603 1.00 0.00 N ATOM 422 CA SER A 32 3.025 16.811 0.750 1.00 0.00 C ATOM 423 C SER A 32 2.056 17.439 -0.247 1.00 0.00 C ATOM 424 O SER A 32 1.429 18.460 0.036 1.00 0.00 O ATOM 425 CB SER A 32 4.426 17.393 0.552 1.00 0.00 C ATOM 426 OG SER A 32 4.387 18.809 0.493 1.00 0.00 O ATOM 0 H SER A 32 3.986 14.970 0.467 1.00 0.00 H new ATOM 0 HA SER A 32 2.682 17.042 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.073 17.078 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.860 16.999 -0.367 1.00 0.00 H new ATOM 0 HG SER A 32 5.295 19.156 0.368 1.00 0.00 H new ATOM 432 N LYS A 33 1.938 16.821 -1.417 1.00 0.00 N ATOM 433 CA LYS A 33 1.045 17.316 -2.458 1.00 0.00 C ATOM 434 C LYS A 33 0.926 16.309 -3.598 1.00 0.00 C ATOM 435 O LYS A 33 1.881 15.599 -3.913 1.00 0.00 O ATOM 436 CB LYS A 33 1.550 18.655 -2.998 1.00 0.00 C ATOM 437 CG LYS A 33 3.008 18.628 -3.424 1.00 0.00 C ATOM 438 CD LYS A 33 3.458 19.978 -3.958 1.00 0.00 C ATOM 439 CE LYS A 33 3.780 20.945 -2.829 1.00 0.00 C ATOM 440 NZ LYS A 33 2.579 21.710 -2.394 1.00 0.00 N ATOM 0 H LYS A 33 2.450 15.975 -1.668 1.00 0.00 H new ATOM 0 HA LYS A 33 0.058 17.458 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.937 18.948 -3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.418 19.419 -2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.631 18.345 -2.575 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.150 17.867 -4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.338 19.846 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.675 20.400 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.185 20.392 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.554 21.639 -3.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.840 22.704 -2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.848 21.658 -3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.209 21.303 -1.511 1.00 0.00 H new ATOM 454 N ALA A 34 -0.251 16.253 -4.212 1.00 0.00 N ATOM 455 CA ALA A 34 -0.493 15.335 -5.318 1.00 0.00 C ATOM 456 C ALA A 34 0.741 15.209 -6.206 1.00 0.00 C ATOM 457 O ALA A 34 1.031 16.094 -7.011 1.00 0.00 O ATOM 458 CB ALA A 34 -1.689 15.798 -6.136 1.00 0.00 C ATOM 0 H ALA A 34 -1.052 16.833 -3.962 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.711 14.352 -4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.858 15.103 -6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.574 15.830 -5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.493 16.793 -6.536 1.00 0.00 H new ATOM 464 N ALA A 35 1.464 14.104 -6.054 1.00 0.00 N ATOM 465 CA ALA A 35 2.665 13.863 -6.843 1.00 0.00 C ATOM 466 C ALA A 35 2.741 12.409 -7.296 1.00 0.00 C ATOM 467 O ALA A 35 2.273 11.496 -6.615 1.00 0.00 O ATOM 468 CB ALA A 35 3.905 14.235 -6.044 1.00 0.00 C ATOM 0 H ALA A 35 1.238 13.362 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 35 2.618 14.491 -7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.795 14.050 -6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.862 15.291 -5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.948 13.632 -5.137 1.00 0.00 H new ATOM 474 N PRO A 36 3.345 12.185 -8.472 1.00 0.00 N ATOM 475 CA PRO A 36 3.497 10.843 -9.042 1.00 0.00 C ATOM 476 C PRO A 36 4.489 9.990 -8.259 1.00 0.00 C ATOM 477 O PRO A 36 5.547 10.469 -7.848 1.00 0.00 O ATOM 478 CB PRO A 36 4.022 11.114 -10.454 1.00 0.00 C ATOM 479 CG PRO A 36 4.699 12.437 -10.359 1.00 0.00 C ATOM 480 CD PRO A 36 3.927 13.225 -9.337 1.00 0.00 C ATOM 0 HA PRO A 36 2.562 10.283 -9.021 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.716 10.337 -10.774 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.210 11.136 -11.181 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.740 12.322 -10.058 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.701 12.945 -11.324 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.575 13.898 -8.776 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.156 13.839 -9.802 1.00 0.00 H new ATOM 488 N VAL A 37 4.143 8.723 -8.056 1.00 0.00 N ATOM 489 CA VAL A 37 5.004 7.802 -7.324 1.00 0.00 C ATOM 490 C VAL A 37 5.084 6.450 -8.023 1.00 0.00 C ATOM 491 O VAL A 37 4.431 6.228 -9.042 1.00 0.00 O ATOM 492 CB VAL A 37 4.505 7.593 -5.882 1.00 0.00 C ATOM 493 CG1 VAL A 37 4.374 8.928 -5.164 1.00 0.00 C ATOM 494 CG2 VAL A 37 3.181 6.844 -5.880 1.00 0.00 C ATOM 0 H VAL A 37 3.271 8.311 -8.389 1.00 0.00 H new ATOM 0 HA VAL A 37 5.996 8.252 -7.296 1.00 0.00 H new ATOM 0 HB VAL A 37 5.238 6.990 -5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.020 8.761 -4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.345 9.422 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.662 9.559 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.843 6.705 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.437 7.418 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.313 5.871 -6.353 1.00 0.00 H new ATOM 504 N GLU A 38 5.889 5.549 -7.468 1.00 0.00 N ATOM 505 CA GLU A 38 6.054 4.218 -8.040 1.00 0.00 C ATOM 506 C GLU A 38 6.221 3.171 -6.942 1.00 0.00 C ATOM 507 O GLU A 38 7.103 3.284 -6.092 1.00 0.00 O ATOM 508 CB GLU A 38 7.263 4.187 -8.977 1.00 0.00 C ATOM 509 CG GLU A 38 7.457 2.853 -9.677 1.00 0.00 C ATOM 510 CD GLU A 38 8.492 2.919 -10.783 1.00 0.00 C ATOM 511 OE1 GLU A 38 8.278 3.680 -11.751 1.00 0.00 O ATOM 512 OE2 GLU A 38 9.516 2.211 -10.682 1.00 0.00 O ATOM 0 H GLU A 38 6.436 5.717 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 38 5.156 3.982 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.150 4.969 -9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.161 4.422 -8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.760 2.104 -8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.505 2.524 -10.094 1.00 0.00 H new ATOM 519 N TRP A 39 5.366 2.155 -6.968 1.00 0.00 N ATOM 520 CA TRP A 39 5.418 1.088 -5.975 1.00 0.00 C ATOM 521 C TRP A 39 6.402 0.001 -6.394 1.00 0.00 C ATOM 522 O TRP A 39 6.659 -0.192 -7.582 1.00 0.00 O ATOM 523 CB TRP A 39 4.027 0.483 -5.773 1.00 0.00 C ATOM 524 CG TRP A 39 2.985 1.498 -5.411 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.455 2.456 -6.227 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.350 1.656 -4.138 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.528 3.200 -5.539 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.444 2.729 -4.255 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.455 0.995 -2.911 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.652 3.154 -3.192 1.00 0.00 C ATOM 531 CZ3 TRP A 39 1.669 1.419 -1.856 1.00 0.00 C ATOM 532 CH2 TRP A 39 0.777 2.489 -2.002 1.00 0.00 C ATOM 0 H TRP A 39 4.629 2.047 -7.665 1.00 0.00 H new ATOM 0 HA TRP A 39 5.760 1.518 -5.034 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.724 -0.028 -6.687 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.077 -0.272 -4.988 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.725 2.607 -7.262 1.00 0.00 H new ATOM 0 HE1 TRP A 39 0.989 3.977 -5.922 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.138 0.167 -2.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -0.036 3.979 -3.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.744 0.917 -0.903 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.176 2.796 -1.159 1.00 0.00 H new ATOM 543 N ARG A 40 6.950 -0.706 -5.411 1.00 0.00 N ATOM 544 CA ARG A 40 7.907 -1.772 -5.678 1.00 0.00 C ATOM 545 C ARG A 40 7.670 -2.961 -4.751 1.00 0.00 C ATOM 546 O ARG A 40 7.279 -2.793 -3.596 1.00 0.00 O ATOM 547 CB ARG A 40 9.338 -1.257 -5.509 1.00 0.00 C ATOM 548 CG ARG A 40 9.813 -0.388 -6.662 1.00 0.00 C ATOM 549 CD ARG A 40 11.130 0.298 -6.336 1.00 0.00 C ATOM 550 NE ARG A 40 12.235 -0.653 -6.247 1.00 0.00 N ATOM 551 CZ ARG A 40 12.738 -1.296 -7.295 1.00 0.00 C ATOM 552 NH1 ARG A 40 12.237 -1.091 -8.506 1.00 0.00 N ATOM 553 NH2 ARG A 40 13.744 -2.146 -7.134 1.00 0.00 N ATOM 0 H ARG A 40 6.747 -0.559 -4.422 1.00 0.00 H new ATOM 0 HA ARG A 40 7.766 -2.102 -6.707 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.402 -0.685 -4.584 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.011 -2.108 -5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.932 -1.000 -7.556 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.056 0.363 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.352 1.040 -7.103 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.036 0.834 -5.391 1.00 0.00 H new ATOM 0 HE ARG A 40 12.643 -0.833 -5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.464 -0.438 -8.634 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.625 -1.586 -9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.132 -2.307 -6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.129 -2.639 -7.940 1.00 0.00 H new ATOM 567 N LYS A 41 7.909 -4.162 -5.265 1.00 0.00 N ATOM 568 CA LYS A 41 7.723 -5.380 -4.485 1.00 0.00 C ATOM 569 C LYS A 41 8.852 -6.372 -4.748 1.00 0.00 C ATOM 570 O LYS A 41 8.990 -6.891 -5.854 1.00 0.00 O ATOM 571 CB LYS A 41 6.376 -6.024 -4.820 1.00 0.00 C ATOM 572 CG LYS A 41 6.180 -7.389 -4.185 1.00 0.00 C ATOM 573 CD LYS A 41 5.863 -7.275 -2.703 1.00 0.00 C ATOM 574 CE LYS A 41 5.880 -8.636 -2.023 1.00 0.00 C ATOM 575 NZ LYS A 41 7.263 -9.166 -1.878 1.00 0.00 N ATOM 0 H LYS A 41 8.232 -4.319 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 41 7.738 -5.111 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.575 -5.362 -4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.288 -6.120 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.370 -7.914 -4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.081 -7.987 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.589 -6.619 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.883 -6.815 -2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.417 -8.556 -1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.281 -9.339 -2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.253 -9.996 -1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.629 -9.441 -2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.875 -8.431 -1.469 1.00 0.00 H new ATOM 589 N GLY A 42 9.655 -6.633 -3.721 1.00 0.00 N ATOM 590 CA GLY A 42 10.760 -7.563 -3.861 1.00 0.00 C ATOM 591 C GLY A 42 11.723 -7.159 -4.960 1.00 0.00 C ATOM 592 O GLY A 42 11.957 -7.918 -5.901 1.00 0.00 O ATOM 0 H GLY A 42 9.560 -6.217 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.299 -7.627 -2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.369 -8.558 -4.073 1.00 0.00 H new ATOM 596 N LEU A 43 12.281 -5.959 -4.843 1.00 0.00 N ATOM 597 CA LEU A 43 13.223 -5.454 -5.835 1.00 0.00 C ATOM 598 C LEU A 43 12.627 -5.523 -7.237 1.00 0.00 C ATOM 599 O LEU A 43 13.350 -5.653 -8.224 1.00 0.00 O ATOM 600 CB LEU A 43 14.527 -6.252 -5.783 1.00 0.00 C ATOM 601 CG LEU A 43 15.602 -5.722 -4.834 1.00 0.00 C ATOM 602 CD1 LEU A 43 15.132 -5.814 -3.391 1.00 0.00 C ATOM 603 CD2 LEU A 43 16.904 -6.486 -5.022 1.00 0.00 C ATOM 0 H LEU A 43 12.097 -5.318 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 43 13.434 -4.411 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.291 -7.277 -5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.946 -6.291 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 43 15.782 -4.673 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 43 15.910 -5.432 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.226 -5.221 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 43 14.923 -6.854 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.657 -6.095 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.739 -7.543 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.250 -6.368 -6.049 1.00 0.00 H new ATOM 615 N GLU A 44 11.303 -5.433 -7.317 1.00 0.00 N ATOM 616 CA GLU A 44 10.610 -5.484 -8.599 1.00 0.00 C ATOM 617 C GLU A 44 9.887 -4.169 -8.879 1.00 0.00 C ATOM 618 O GLU A 44 9.499 -3.453 -7.956 1.00 0.00 O ATOM 619 CB GLU A 44 9.611 -6.642 -8.618 1.00 0.00 C ATOM 620 CG GLU A 44 9.108 -6.990 -10.009 1.00 0.00 C ATOM 621 CD GLU A 44 10.001 -7.989 -10.719 1.00 0.00 C ATOM 622 OE1 GLU A 44 10.654 -8.798 -10.028 1.00 0.00 O ATOM 623 OE2 GLU A 44 10.045 -7.962 -11.967 1.00 0.00 O ATOM 0 H GLU A 44 10.689 -5.324 -6.510 1.00 0.00 H new ATOM 0 HA GLU A 44 11.354 -5.643 -9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.080 -7.523 -8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.760 -6.387 -7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.100 -7.398 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.041 -6.080 -10.605 1.00 0.00 H new ATOM 630 N ALA A 45 9.709 -3.860 -10.159 1.00 0.00 N ATOM 631 CA ALA A 45 9.032 -2.634 -10.562 1.00 0.00 C ATOM 632 C ALA A 45 7.568 -2.900 -10.897 1.00 0.00 C ATOM 633 O ALA A 45 7.244 -3.351 -11.996 1.00 0.00 O ATOM 634 CB ALA A 45 9.742 -2.005 -11.752 1.00 0.00 C ATOM 0 H ALA A 45 10.024 -4.442 -10.935 1.00 0.00 H new ATOM 0 HA ALA A 45 9.065 -1.938 -9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.225 -1.090 -12.042 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.771 -1.770 -11.479 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.739 -2.704 -12.588 1.00 0.00 H new ATOM 640 N LEU A 46 6.687 -2.617 -9.943 1.00 0.00 N ATOM 641 CA LEU A 46 5.257 -2.827 -10.137 1.00 0.00 C ATOM 642 C LEU A 46 4.700 -1.856 -11.173 1.00 0.00 C ATOM 643 O LEU A 46 5.188 -0.735 -11.313 1.00 0.00 O ATOM 644 CB LEU A 46 4.512 -2.658 -8.811 1.00 0.00 C ATOM 645 CG LEU A 46 4.990 -3.539 -7.656 1.00 0.00 C ATOM 646 CD1 LEU A 46 4.237 -3.199 -6.379 1.00 0.00 C ATOM 647 CD2 LEU A 46 4.819 -5.011 -8.002 1.00 0.00 C ATOM 0 H LEU A 46 6.938 -2.242 -9.028 1.00 0.00 H new ATOM 0 HA LEU A 46 5.110 -3.843 -10.502 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.591 -1.615 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.455 -2.860 -8.983 1.00 0.00 H new ATOM 0 HG LEU A 46 6.050 -3.346 -7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.590 -3.836 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.410 -2.154 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.170 -3.363 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.164 -5.623 -7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.767 -5.220 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.404 -5.246 -8.891 1.00 0.00 H new ATOM 659 N ARG A 47 3.673 -2.294 -11.895 1.00 0.00 N ATOM 660 CA ARG A 47 3.049 -1.464 -12.918 1.00 0.00 C ATOM 661 C ARG A 47 1.529 -1.584 -12.863 1.00 0.00 C ATOM 662 O ARG A 47 0.984 -2.688 -12.849 1.00 0.00 O ATOM 663 CB ARG A 47 3.553 -1.863 -14.306 1.00 0.00 C ATOM 664 CG ARG A 47 3.261 -3.310 -14.668 1.00 0.00 C ATOM 665 CD ARG A 47 4.028 -3.739 -15.909 1.00 0.00 C ATOM 666 NE ARG A 47 3.436 -3.202 -17.131 1.00 0.00 N ATOM 667 CZ ARG A 47 4.015 -3.280 -18.324 1.00 0.00 C ATOM 668 NH1 ARG A 47 5.195 -3.870 -18.454 1.00 0.00 N ATOM 669 NH2 ARG A 47 3.413 -2.767 -19.390 1.00 0.00 N ATOM 0 H ARG A 47 3.256 -3.219 -11.790 1.00 0.00 H new ATOM 0 HA ARG A 47 3.321 -0.426 -12.724 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.095 -1.212 -15.050 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.629 -1.695 -14.354 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.528 -3.956 -13.832 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.192 -3.435 -14.838 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.062 -3.404 -15.830 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.049 -4.827 -15.964 1.00 0.00 H new ATOM 0 HE ARG A 47 2.528 -2.742 -17.065 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.660 -4.265 -17.637 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.638 -3.929 -19.371 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.505 -2.312 -19.294 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.858 -2.827 -20.306 1.00 0.00 H new ATOM 683 N ASP A 48 0.851 -0.442 -12.831 1.00 0.00 N ATOM 684 CA ASP A 48 -0.606 -0.419 -12.778 1.00 0.00 C ATOM 685 C ASP A 48 -1.204 -1.269 -13.895 1.00 0.00 C ATOM 686 O ASP A 48 -0.834 -1.130 -15.060 1.00 0.00 O ATOM 687 CB ASP A 48 -1.119 1.018 -12.883 1.00 0.00 C ATOM 688 CG ASP A 48 -0.674 1.699 -14.162 1.00 0.00 C ATOM 689 OD1 ASP A 48 0.527 2.023 -14.275 1.00 0.00 O ATOM 690 OD2 ASP A 48 -1.527 1.908 -15.050 1.00 0.00 O ATOM 0 H ASP A 48 1.287 0.480 -12.841 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.917 -0.838 -11.821 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.208 1.016 -12.835 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.763 1.591 -12.027 1.00 0.00 H new ATOM 695 N GLY A 49 -2.131 -2.150 -13.530 1.00 0.00 N ATOM 696 CA GLY A 49 -2.764 -3.010 -14.513 1.00 0.00 C ATOM 697 C GLY A 49 -3.952 -3.762 -13.945 1.00 0.00 C ATOM 698 O GLY A 49 -4.897 -3.155 -13.442 1.00 0.00 O ATOM 0 H GLY A 49 -2.455 -2.283 -12.572 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.090 -2.408 -15.361 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.033 -3.724 -14.891 1.00 0.00 H new ATOM 702 N ASP A 50 -3.905 -5.087 -14.027 1.00 0.00 N ATOM 703 CA ASP A 50 -4.985 -5.923 -13.518 1.00 0.00 C ATOM 704 C ASP A 50 -4.602 -6.553 -12.183 1.00 0.00 C ATOM 705 O ASP A 50 -5.356 -6.483 -11.212 1.00 0.00 O ATOM 706 CB ASP A 50 -5.333 -7.016 -14.530 1.00 0.00 C ATOM 707 CG ASP A 50 -6.580 -7.788 -14.144 1.00 0.00 C ATOM 708 OD1 ASP A 50 -7.690 -7.329 -14.486 1.00 0.00 O ATOM 709 OD2 ASP A 50 -6.446 -8.849 -13.500 1.00 0.00 O ATOM 0 H ASP A 50 -3.130 -5.605 -14.441 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.859 -5.290 -13.363 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.478 -6.565 -15.512 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.494 -7.707 -14.617 1.00 0.00 H new ATOM 714 N LYS A 51 -3.426 -7.169 -12.141 1.00 0.00 N ATOM 715 CA LYS A 51 -2.941 -7.811 -10.925 1.00 0.00 C ATOM 716 C LYS A 51 -2.920 -6.826 -9.760 1.00 0.00 C ATOM 717 O LYS A 51 -3.404 -7.129 -8.670 1.00 0.00 O ATOM 718 CB LYS A 51 -1.539 -8.382 -11.149 1.00 0.00 C ATOM 719 CG LYS A 51 -0.845 -8.813 -9.869 1.00 0.00 C ATOM 720 CD LYS A 51 -1.434 -10.102 -9.322 1.00 0.00 C ATOM 721 CE LYS A 51 -0.692 -10.571 -8.080 1.00 0.00 C ATOM 722 NZ LYS A 51 0.644 -11.139 -8.413 1.00 0.00 N ATOM 0 H LYS A 51 -2.790 -7.237 -12.936 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.623 -8.625 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.608 -9.238 -11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.926 -7.632 -11.650 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.219 -8.951 -10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.936 -8.025 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.486 -9.949 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.390 -10.877 -10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.570 -9.734 -7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.288 -11.323 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.096 -11.493 -7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.530 -11.921 -9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.240 -10.399 -8.837 1.00 0.00 H new ATOM 736 N TYR A 52 -2.357 -5.647 -9.999 1.00 0.00 N ATOM 737 CA TYR A 52 -2.273 -4.618 -8.970 1.00 0.00 C ATOM 738 C TYR A 52 -3.067 -3.379 -9.371 1.00 0.00 C ATOM 739 O TYR A 52 -2.979 -2.912 -10.507 1.00 0.00 O ATOM 740 CB TYR A 52 -0.812 -4.241 -8.715 1.00 0.00 C ATOM 741 CG TYR A 52 0.010 -5.365 -8.126 1.00 0.00 C ATOM 742 CD1 TYR A 52 -0.203 -5.798 -6.823 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.999 -5.993 -8.872 1.00 0.00 C ATOM 744 CE1 TYR A 52 0.546 -6.824 -6.281 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.752 -7.021 -8.338 1.00 0.00 C ATOM 746 CZ TYR A 52 1.522 -7.433 -7.042 1.00 0.00 C ATOM 747 OH TYR A 52 2.271 -8.455 -6.506 1.00 0.00 O ATOM 0 H TYR A 52 -1.952 -5.380 -10.896 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.703 -5.021 -8.053 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.358 -3.924 -9.654 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.779 -3.386 -8.040 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.967 -5.324 -6.224 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.183 -5.672 -9.887 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.368 -7.148 -5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.517 -7.499 -8.932 1.00 0.00 H new ATOM 0 HH TYR A 52 2.913 -8.775 -7.174 1.00 0.00 H new ATOM 757 N SER A 53 -3.843 -2.851 -8.430 1.00 0.00 N ATOM 758 CA SER A 53 -4.656 -1.668 -8.685 1.00 0.00 C ATOM 759 C SER A 53 -4.043 -0.435 -8.027 1.00 0.00 C ATOM 760 O SER A 53 -4.159 -0.240 -6.817 1.00 0.00 O ATOM 761 CB SER A 53 -6.080 -1.881 -8.167 1.00 0.00 C ATOM 762 OG SER A 53 -6.887 -2.520 -9.142 1.00 0.00 O ATOM 0 H SER A 53 -3.926 -3.224 -7.484 1.00 0.00 H new ATOM 0 HA SER A 53 -4.689 -1.505 -9.762 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.054 -2.484 -7.260 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.520 -0.921 -7.899 1.00 0.00 H new ATOM 0 HG SER A 53 -7.296 -3.321 -8.754 1.00 0.00 H new ATOM 768 N LEU A 54 -3.390 0.395 -8.834 1.00 0.00 N ATOM 769 CA LEU A 54 -2.758 1.610 -8.332 1.00 0.00 C ATOM 770 C LEU A 54 -3.605 2.837 -8.653 1.00 0.00 C ATOM 771 O LEU A 54 -4.056 3.014 -9.785 1.00 0.00 O ATOM 772 CB LEU A 54 -1.361 1.768 -8.936 1.00 0.00 C ATOM 773 CG LEU A 54 -0.262 0.900 -8.322 1.00 0.00 C ATOM 774 CD1 LEU A 54 -0.160 1.148 -6.825 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.526 -0.572 -8.604 1.00 0.00 C ATOM 0 H LEU A 54 -3.285 0.249 -9.838 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.672 1.525 -7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.420 1.544 -10.001 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.064 2.813 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 54 0.689 1.173 -8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.627 0.522 -6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.076 2.197 -6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.110 0.903 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.266 -1.175 -8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.485 -0.859 -8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.548 -0.738 -9.681 1.00 0.00 H new ATOM 787 N ARG A 55 -3.816 3.683 -7.650 1.00 0.00 N ATOM 788 CA ARG A 55 -4.608 4.894 -7.825 1.00 0.00 C ATOM 789 C ARG A 55 -4.314 5.901 -6.717 1.00 0.00 C ATOM 790 O ARG A 55 -4.253 5.544 -5.541 1.00 0.00 O ATOM 791 CB ARG A 55 -6.100 4.556 -7.839 1.00 0.00 C ATOM 792 CG ARG A 55 -6.556 3.762 -6.625 1.00 0.00 C ATOM 793 CD ARG A 55 -8.060 3.537 -6.640 1.00 0.00 C ATOM 794 NE ARG A 55 -8.425 2.330 -7.378 1.00 0.00 N ATOM 795 CZ ARG A 55 -9.654 1.826 -7.400 1.00 0.00 C ATOM 796 NH1 ARG A 55 -10.630 2.421 -6.729 1.00 0.00 N ATOM 797 NH2 ARG A 55 -9.908 0.725 -8.095 1.00 0.00 N ATOM 0 H ARG A 55 -3.449 3.552 -6.707 1.00 0.00 H new ATOM 0 HA ARG A 55 -4.335 5.341 -8.781 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.673 5.482 -7.893 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.327 3.987 -8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.043 2.800 -6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.275 4.293 -5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.425 3.460 -5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.551 4.400 -7.090 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.697 1.848 -7.905 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.438 3.268 -6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.573 2.032 -6.748 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.159 0.265 -8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.852 0.339 -8.111 1.00 0.00 H new ATOM 811 N GLN A 56 -4.132 7.160 -7.102 1.00 0.00 N ATOM 812 CA GLN A 56 -3.844 8.218 -6.142 1.00 0.00 C ATOM 813 C GLN A 56 -4.593 9.498 -6.499 1.00 0.00 C ATOM 814 O GLN A 56 -5.055 9.663 -7.628 1.00 0.00 O ATOM 815 CB GLN A 56 -2.339 8.492 -6.090 1.00 0.00 C ATOM 816 CG GLN A 56 -1.654 8.384 -7.442 1.00 0.00 C ATOM 817 CD GLN A 56 -1.603 9.709 -8.178 1.00 0.00 C ATOM 818 OE1 GLN A 56 -2.484 10.022 -8.979 1.00 0.00 O ATOM 819 NE2 GLN A 56 -0.568 10.496 -7.909 1.00 0.00 N ATOM 0 H GLN A 56 -4.179 7.472 -8.072 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.181 7.884 -5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.174 9.491 -5.687 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.874 7.789 -5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.639 8.011 -7.302 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.181 7.652 -8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.139 10.197 -7.238 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.480 11.400 -8.373 1.00 0.00 H new ATOM 828 N ASP A 57 -4.711 10.398 -5.529 1.00 0.00 N ATOM 829 CA ASP A 57 -5.404 11.664 -5.742 1.00 0.00 C ATOM 830 C ASP A 57 -5.257 12.574 -4.527 1.00 0.00 C ATOM 831 O ASP A 57 -5.278 12.113 -3.386 1.00 0.00 O ATOM 832 CB ASP A 57 -6.885 11.416 -6.032 1.00 0.00 C ATOM 833 CG ASP A 57 -7.507 12.526 -6.856 1.00 0.00 C ATOM 834 OD1 ASP A 57 -6.897 12.928 -7.869 1.00 0.00 O ATOM 835 OD2 ASP A 57 -8.605 12.993 -6.488 1.00 0.00 O ATOM 0 H ASP A 57 -4.336 10.275 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.951 12.158 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.995 10.469 -6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.426 11.320 -5.090 1.00 0.00 H new ATOM 840 N GLY A 58 -5.106 13.871 -4.780 1.00 0.00 N ATOM 841 CA GLY A 58 -4.956 14.826 -3.697 1.00 0.00 C ATOM 842 C GLY A 58 -3.847 14.444 -2.737 1.00 0.00 C ATOM 843 O GLY A 58 -3.963 14.651 -1.530 1.00 0.00 O ATOM 0 H GLY A 58 -5.085 14.277 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.749 15.812 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.896 14.901 -3.150 1.00 0.00 H new ATOM 847 N ALA A 59 -2.768 13.884 -3.275 1.00 0.00 N ATOM 848 CA ALA A 59 -1.633 13.473 -2.458 1.00 0.00 C ATOM 849 C ALA A 59 -1.985 12.265 -1.597 1.00 0.00 C ATOM 850 O ALA A 59 -1.403 12.057 -0.533 1.00 0.00 O ATOM 851 CB ALA A 59 -1.167 14.628 -1.584 1.00 0.00 C ATOM 0 H ALA A 59 -2.656 13.705 -4.273 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.821 13.186 -3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.319 14.307 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.867 15.464 -2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.981 14.941 -0.930 1.00 0.00 H new ATOM 857 N VAL A 60 -2.943 11.470 -2.065 1.00 0.00 N ATOM 858 CA VAL A 60 -3.372 10.281 -1.338 1.00 0.00 C ATOM 859 C VAL A 60 -3.269 9.036 -2.212 1.00 0.00 C ATOM 860 O VAL A 60 -4.066 8.843 -3.131 1.00 0.00 O ATOM 861 CB VAL A 60 -4.821 10.424 -0.835 1.00 0.00 C ATOM 862 CG1 VAL A 60 -5.142 9.340 0.183 1.00 0.00 C ATOM 863 CG2 VAL A 60 -5.045 11.806 -0.242 1.00 0.00 C ATOM 0 H VAL A 60 -3.436 11.628 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.707 10.176 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.495 10.304 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.170 9.457 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.023 8.360 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.463 9.425 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.074 11.889 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.363 11.958 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.859 12.563 -1.004 1.00 0.00 H new ATOM 873 N CYS A 61 -2.285 8.194 -1.919 1.00 0.00 N ATOM 874 CA CYS A 61 -2.077 6.966 -2.678 1.00 0.00 C ATOM 875 C CYS A 61 -2.695 5.771 -1.959 1.00 0.00 C ATOM 876 O CYS A 61 -2.701 5.710 -0.730 1.00 0.00 O ATOM 877 CB CYS A 61 -0.583 6.726 -2.900 1.00 0.00 C ATOM 878 SG CYS A 61 0.358 8.224 -3.274 1.00 0.00 S ATOM 0 H CYS A 61 -1.618 8.339 -1.161 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.567 7.078 -3.645 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.164 6.260 -2.008 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.458 6.017 -3.719 1.00 0.00 H new ATOM 0 HG CYS A 61 1.610 7.919 -3.443 1.00 0.00 H new ATOM 884 N GLU A 62 -3.216 4.825 -2.734 1.00 0.00 N ATOM 885 CA GLU A 62 -3.839 3.633 -2.170 1.00 0.00 C ATOM 886 C GLU A 62 -3.588 2.417 -3.057 1.00 0.00 C ATOM 887 O GLU A 62 -4.110 2.327 -4.169 1.00 0.00 O ATOM 888 CB GLU A 62 -5.343 3.850 -1.997 1.00 0.00 C ATOM 889 CG GLU A 62 -6.090 2.607 -1.544 1.00 0.00 C ATOM 890 CD GLU A 62 -7.473 2.920 -1.008 1.00 0.00 C ATOM 891 OE1 GLU A 62 -8.373 3.214 -1.822 1.00 0.00 O ATOM 892 OE2 GLU A 62 -7.655 2.871 0.227 1.00 0.00 O ATOM 0 H GLU A 62 -3.219 4.861 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.392 3.448 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.505 4.646 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.763 4.191 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.177 1.915 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.511 2.101 -0.771 1.00 0.00 H new ATOM 899 N LEU A 63 -2.785 1.484 -2.558 1.00 0.00 N ATOM 900 CA LEU A 63 -2.464 0.272 -3.304 1.00 0.00 C ATOM 901 C LEU A 63 -3.407 -0.866 -2.928 1.00 0.00 C ATOM 902 O LEU A 63 -3.726 -1.058 -1.755 1.00 0.00 O ATOM 903 CB LEU A 63 -1.015 -0.144 -3.041 1.00 0.00 C ATOM 904 CG LEU A 63 -0.620 -1.541 -3.519 1.00 0.00 C ATOM 905 CD1 LEU A 63 -0.691 -1.626 -5.036 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.775 -1.899 -3.027 1.00 0.00 C ATOM 0 H LEU A 63 -2.344 1.543 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.588 0.486 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.357 0.581 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.830 -0.083 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.326 -2.260 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.406 -2.628 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.708 -1.414 -5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.009 -0.897 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.039 -2.897 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.494 -1.177 -3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.792 -1.880 -1.937 1.00 0.00 H new ATOM 918 N GLN A 64 -3.849 -1.617 -3.931 1.00 0.00 N ATOM 919 CA GLN A 64 -4.756 -2.737 -3.704 1.00 0.00 C ATOM 920 C GLN A 64 -4.225 -4.008 -4.358 1.00 0.00 C ATOM 921 O GLN A 64 -3.798 -3.991 -5.513 1.00 0.00 O ATOM 922 CB GLN A 64 -6.148 -2.412 -4.249 1.00 0.00 C ATOM 923 CG GLN A 64 -7.054 -1.731 -3.235 1.00 0.00 C ATOM 924 CD GLN A 64 -8.525 -1.965 -3.518 1.00 0.00 C ATOM 925 OE1 GLN A 64 -9.025 -1.621 -4.590 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.227 -2.552 -2.557 1.00 0.00 N ATOM 0 H GLN A 64 -3.595 -1.471 -4.908 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.825 -2.904 -2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.046 -1.768 -5.123 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.622 -3.334 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.817 -2.099 -2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.854 -0.660 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.772 -2.820 -1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.222 -2.735 -2.691 1.00 0.00 H new ATOM 935 N ILE A 65 -4.253 -5.108 -3.613 1.00 0.00 N ATOM 936 CA ILE A 65 -3.775 -6.387 -4.122 1.00 0.00 C ATOM 937 C ILE A 65 -4.904 -7.411 -4.183 1.00 0.00 C ATOM 938 O ILE A 65 -5.445 -7.818 -3.154 1.00 0.00 O ATOM 939 CB ILE A 65 -2.636 -6.949 -3.251 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.487 -5.941 -3.165 1.00 0.00 C ATOM 941 CG2 ILE A 65 -2.143 -8.274 -3.813 1.00 0.00 C ATOM 942 CD1 ILE A 65 -1.647 -4.937 -2.045 1.00 0.00 C ATOM 0 H ILE A 65 -4.602 -5.139 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.397 -6.205 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.019 -7.123 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.550 -6.481 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.411 -5.407 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.338 -8.658 -3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.964 -8.991 -3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.773 -8.124 -4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.797 -4.255 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.567 -4.371 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.693 -5.461 -1.090 1.00 0.00 H new ATOM 954 N HIS A 66 -5.255 -7.825 -5.396 1.00 0.00 N ATOM 955 CA HIS A 66 -6.319 -8.803 -5.592 1.00 0.00 C ATOM 956 C HIS A 66 -5.778 -10.225 -5.474 1.00 0.00 C ATOM 957 O HIS A 66 -4.991 -10.671 -6.308 1.00 0.00 O ATOM 958 CB HIS A 66 -6.976 -8.607 -6.959 1.00 0.00 C ATOM 959 CG HIS A 66 -7.639 -7.274 -7.119 1.00 0.00 C ATOM 960 ND1 HIS A 66 -8.437 -6.708 -6.147 1.00 0.00 N ATOM 961 CD2 HIS A 66 -7.617 -6.392 -8.146 1.00 0.00 C ATOM 962 CE1 HIS A 66 -8.879 -5.537 -6.570 1.00 0.00 C ATOM 963 NE2 HIS A 66 -8.395 -5.321 -7.780 1.00 0.00 N ATOM 0 H HIS A 66 -4.818 -7.499 -6.258 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.066 -8.651 -4.813 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.221 -8.723 -7.736 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.716 -9.392 -7.113 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -8.652 -7.128 -5.243 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.086 -6.509 -9.079 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.526 -4.870 -6.020 1.00 0.00 H new ATOM 971 N GLY A 67 -6.205 -10.931 -4.431 1.00 0.00 N ATOM 972 CA GLY A 67 -5.752 -12.294 -4.223 1.00 0.00 C ATOM 973 C GLY A 67 -4.543 -12.370 -3.312 1.00 0.00 C ATOM 974 O GLY A 67 -3.405 -12.246 -3.766 1.00 0.00 O ATOM 0 H GLY A 67 -6.856 -10.583 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.564 -12.882 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.507 -12.743 -5.185 1.00 0.00 H new ATOM 978 N LEU A 68 -4.788 -12.573 -2.022 1.00 0.00 N ATOM 979 CA LEU A 68 -3.710 -12.664 -1.044 1.00 0.00 C ATOM 980 C LEU A 68 -3.313 -14.117 -0.804 1.00 0.00 C ATOM 981 O LEU A 68 -4.148 -15.019 -0.873 1.00 0.00 O ATOM 982 CB LEU A 68 -4.135 -12.016 0.275 1.00 0.00 C ATOM 983 CG LEU A 68 -3.937 -10.503 0.374 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.670 -9.946 1.584 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.456 -10.162 0.442 1.00 0.00 C ATOM 0 H LEU A 68 -5.724 -12.678 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.846 -12.131 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.190 -12.236 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.579 -12.489 1.085 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.355 -10.043 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.517 -8.868 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.735 -10.157 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.284 -10.413 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.334 -9.081 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.014 -10.635 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.957 -10.526 -0.456 1.00 0.00 H new ATOM 997 N ALA A 69 -2.034 -14.337 -0.520 1.00 0.00 N ATOM 998 CA ALA A 69 -1.527 -15.680 -0.266 1.00 0.00 C ATOM 999 C ALA A 69 -0.278 -15.639 0.608 1.00 0.00 C ATOM 1000 O ALA A 69 0.148 -14.572 1.049 1.00 0.00 O ATOM 1001 CB ALA A 69 -1.231 -16.390 -1.579 1.00 0.00 C ATOM 0 H ALA A 69 -1.329 -13.602 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.296 -16.236 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.853 -17.392 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.145 -16.461 -2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.482 -15.827 -2.136 1.00 0.00 H new ATOM 1007 N MET A 70 0.303 -16.808 0.856 1.00 0.00 N ATOM 1008 CA MET A 70 1.504 -16.905 1.678 1.00 0.00 C ATOM 1009 C MET A 70 2.695 -16.256 0.979 1.00 0.00 C ATOM 1010 O MET A 70 3.619 -15.769 1.630 1.00 0.00 O ATOM 1011 CB MET A 70 1.817 -18.369 1.991 1.00 0.00 C ATOM 1012 CG MET A 70 0.912 -18.971 3.054 1.00 0.00 C ATOM 1013 SD MET A 70 1.180 -18.248 4.684 1.00 0.00 S ATOM 1014 CE MET A 70 0.048 -16.861 4.629 1.00 0.00 C ATOM 0 H MET A 70 -0.038 -17.701 0.500 1.00 0.00 H new ATOM 0 HA MET A 70 1.319 -16.373 2.611 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.728 -18.955 1.076 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.853 -18.448 2.321 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.129 -18.827 2.764 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.083 -20.046 3.105 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.612 -15.929 4.671 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.526 -16.897 3.703 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.632 -16.912 5.480 1.00 0.00 H new ATOM 1024 N ALA A 71 2.666 -16.254 -0.350 1.00 0.00 N ATOM 1025 CA ALA A 71 3.743 -15.664 -1.136 1.00 0.00 C ATOM 1026 C ALA A 71 3.698 -14.141 -1.070 1.00 0.00 C ATOM 1027 O ALA A 71 4.737 -13.480 -1.052 1.00 0.00 O ATOM 1028 CB ALA A 71 3.661 -16.135 -2.580 1.00 0.00 C ATOM 0 H ALA A 71 1.909 -16.654 -0.904 1.00 0.00 H new ATOM 0 HA ALA A 71 4.692 -15.992 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.471 -15.687 -3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.749 -17.221 -2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.704 -15.835 -3.007 1.00 0.00 H new ATOM 1034 N ASP A 72 2.490 -13.590 -1.037 1.00 0.00 N ATOM 1035 CA ASP A 72 2.311 -12.144 -0.973 1.00 0.00 C ATOM 1036 C ASP A 72 3.109 -11.547 0.182 1.00 0.00 C ATOM 1037 O ASP A 72 3.770 -10.521 0.028 1.00 0.00 O ATOM 1038 CB ASP A 72 0.829 -11.798 -0.817 1.00 0.00 C ATOM 1039 CG ASP A 72 0.078 -11.862 -2.133 1.00 0.00 C ATOM 1040 OD1 ASP A 72 0.368 -11.034 -3.022 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -0.798 -12.740 -2.274 1.00 0.00 O ATOM 0 H ASP A 72 1.620 -14.122 -1.053 1.00 0.00 H new ATOM 0 HA ASP A 72 2.680 -11.716 -1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.371 -12.486 -0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.735 -10.797 -0.397 1.00 0.00 H new ATOM 1046 N ASN A 73 3.041 -12.197 1.339 1.00 0.00 N ATOM 1047 CA ASN A 73 3.757 -11.730 2.521 1.00 0.00 C ATOM 1048 C ASN A 73 5.147 -11.222 2.150 1.00 0.00 C ATOM 1049 O ASN A 73 5.882 -11.877 1.413 1.00 0.00 O ATOM 1050 CB ASN A 73 3.870 -12.855 3.552 1.00 0.00 C ATOM 1051 CG ASN A 73 2.626 -12.981 4.410 1.00 0.00 C ATOM 1052 OD1 ASN A 73 1.937 -11.996 4.671 1.00 0.00 O ATOM 1053 ND2 ASN A 73 2.334 -14.199 4.852 1.00 0.00 N ATOM 0 H ASN A 73 2.498 -13.048 1.484 1.00 0.00 H new ATOM 0 HA ASN A 73 3.193 -10.905 2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.050 -13.799 3.037 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.733 -12.672 4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.509 -14.346 5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.935 -14.987 4.610 1.00 0.00 H new ATOM 1060 N GLY A 74 5.500 -10.050 2.669 1.00 0.00 N ATOM 1061 CA GLY A 74 6.801 -9.474 2.381 1.00 0.00 C ATOM 1062 C GLY A 74 6.918 -8.040 2.859 1.00 0.00 C ATOM 1063 O GLY A 74 6.346 -7.671 3.885 1.00 0.00 O ATOM 0 H GLY A 74 4.909 -9.490 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.575 -10.077 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.982 -9.512 1.307 1.00 0.00 H new ATOM 1067 N VAL A 75 7.664 -7.229 2.115 1.00 0.00 N ATOM 1068 CA VAL A 75 7.856 -5.828 2.469 1.00 0.00 C ATOM 1069 C VAL A 75 7.644 -4.922 1.261 1.00 0.00 C ATOM 1070 O VAL A 75 8.533 -4.768 0.424 1.00 0.00 O ATOM 1071 CB VAL A 75 9.264 -5.581 3.041 1.00 0.00 C ATOM 1072 CG1 VAL A 75 9.541 -4.089 3.154 1.00 0.00 C ATOM 1073 CG2 VAL A 75 9.417 -6.263 4.392 1.00 0.00 C ATOM 0 H VAL A 75 8.145 -7.519 1.263 1.00 0.00 H new ATOM 0 HA VAL A 75 7.115 -5.590 3.233 1.00 0.00 H new ATOM 0 HB VAL A 75 9.995 -6.011 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.541 -3.934 3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.475 -3.631 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.806 -3.632 3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.418 -6.078 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.678 -5.864 5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.265 -7.336 4.277 1.00 0.00 H new ATOM 1083 N TYR A 76 6.460 -4.325 1.177 1.00 0.00 N ATOM 1084 CA TYR A 76 6.130 -3.435 0.070 1.00 0.00 C ATOM 1085 C TYR A 76 6.812 -2.080 0.238 1.00 0.00 C ATOM 1086 O TYR A 76 6.971 -1.587 1.354 1.00 0.00 O ATOM 1087 CB TYR A 76 4.615 -3.248 -0.027 1.00 0.00 C ATOM 1088 CG TYR A 76 3.867 -4.521 -0.352 1.00 0.00 C ATOM 1089 CD1 TYR A 76 3.663 -5.496 0.617 1.00 0.00 C ATOM 1090 CD2 TYR A 76 3.365 -4.750 -1.627 1.00 0.00 C ATOM 1091 CE1 TYR A 76 2.981 -6.661 0.325 1.00 0.00 C ATOM 1092 CE2 TYR A 76 2.681 -5.911 -1.928 1.00 0.00 C ATOM 1093 CZ TYR A 76 2.491 -6.864 -0.949 1.00 0.00 C ATOM 1094 OH TYR A 76 1.811 -8.023 -1.244 1.00 0.00 O ATOM 0 H TYR A 76 5.713 -4.441 1.862 1.00 0.00 H new ATOM 0 HA TYR A 76 6.493 -3.892 -0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.245 -2.851 0.918 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.398 -2.503 -0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.044 -5.340 1.615 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.512 -4.007 -2.396 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.832 -7.409 1.090 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.297 -6.072 -2.924 1.00 0.00 H new ATOM 0 HH TYR A 76 1.532 -8.009 -2.183 1.00 0.00 H new ATOM 1104 N SER A 77 7.211 -1.484 -0.881 1.00 0.00 N ATOM 1105 CA SER A 77 7.879 -0.188 -0.859 1.00 0.00 C ATOM 1106 C SER A 77 7.231 0.774 -1.851 1.00 0.00 C ATOM 1107 O SER A 77 6.717 0.358 -2.890 1.00 0.00 O ATOM 1108 CB SER A 77 9.365 -0.350 -1.186 1.00 0.00 C ATOM 1109 OG SER A 77 9.549 -1.162 -2.332 1.00 0.00 O ATOM 0 H SER A 77 7.083 -1.877 -1.813 1.00 0.00 H new ATOM 0 HA SER A 77 7.778 0.228 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.812 0.630 -1.355 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.882 -0.794 -0.335 1.00 0.00 H new ATOM 0 HG SER A 77 10.507 -1.249 -2.521 1.00 0.00 H new ATOM 1115 N CYS A 78 7.259 2.060 -1.523 1.00 0.00 N ATOM 1116 CA CYS A 78 6.674 3.082 -2.384 1.00 0.00 C ATOM 1117 C CYS A 78 7.629 4.258 -2.559 1.00 0.00 C ATOM 1118 O CYS A 78 7.793 5.078 -1.656 1.00 0.00 O ATOM 1119 CB CYS A 78 5.347 3.570 -1.801 1.00 0.00 C ATOM 1120 SG CYS A 78 4.519 4.828 -2.803 1.00 0.00 S ATOM 0 H CYS A 78 7.680 2.421 -0.667 1.00 0.00 H new ATOM 0 HA CYS A 78 6.492 2.637 -3.362 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.679 2.717 -1.683 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.527 3.974 -0.805 1.00 0.00 H new ATOM 0 HG CYS A 78 3.481 4.305 -3.385 1.00 0.00 H new ATOM 1126 N VAL A 79 8.259 4.333 -3.727 1.00 0.00 N ATOM 1127 CA VAL A 79 9.200 5.408 -4.021 1.00 0.00 C ATOM 1128 C VAL A 79 8.489 6.605 -4.641 1.00 0.00 C ATOM 1129 O VAL A 79 7.625 6.449 -5.504 1.00 0.00 O ATOM 1130 CB VAL A 79 10.312 4.935 -4.975 1.00 0.00 C ATOM 1131 CG1 VAL A 79 11.283 6.069 -5.268 1.00 0.00 C ATOM 1132 CG2 VAL A 79 11.042 3.735 -4.389 1.00 0.00 C ATOM 0 H VAL A 79 8.135 3.662 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 79 9.648 5.706 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 79 9.854 4.629 -5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.062 5.716 -5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.747 6.896 -5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.737 6.409 -4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.825 3.414 -5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.489 4.012 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.336 2.919 -4.236 1.00 0.00 H new ATOM 1142 N CYS A 80 8.858 7.801 -4.195 1.00 0.00 N ATOM 1143 CA CYS A 80 8.255 9.027 -4.705 1.00 0.00 C ATOM 1144 C CYS A 80 9.318 9.958 -5.278 1.00 0.00 C ATOM 1145 O CYS A 80 9.277 11.169 -5.067 1.00 0.00 O ATOM 1146 CB CYS A 80 7.480 9.740 -3.596 1.00 0.00 C ATOM 1147 SG CYS A 80 8.516 10.341 -2.241 1.00 0.00 S ATOM 0 H CYS A 80 9.572 7.948 -3.481 1.00 0.00 H new ATOM 0 HA CYS A 80 7.565 8.757 -5.504 1.00 0.00 H new ATOM 0 HB2 CYS A 80 6.941 10.583 -4.028 1.00 0.00 H new ATOM 0 HB3 CYS A 80 6.733 9.057 -3.192 1.00 0.00 H new ATOM 0 HG CYS A 80 8.141 9.784 -1.128 1.00 0.00 H new ATOM 1153 N GLY A 81 10.273 9.383 -6.004 1.00 0.00 N ATOM 1154 CA GLY A 81 11.335 10.175 -6.594 1.00 0.00 C ATOM 1155 C GLY A 81 12.615 10.125 -5.784 1.00 0.00 C ATOM 1156 O GLY A 81 13.589 9.492 -6.189 1.00 0.00 O ATOM 0 H GLY A 81 10.329 8.382 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.534 9.816 -7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.005 11.210 -6.683 1.00 0.00 H new ATOM 1160 N GLN A 82 12.614 10.796 -4.636 1.00 0.00 N ATOM 1161 CA GLN A 82 13.785 10.827 -3.769 1.00 0.00 C ATOM 1162 C GLN A 82 13.556 9.989 -2.515 1.00 0.00 C ATOM 1163 O GLN A 82 14.338 9.092 -2.206 1.00 0.00 O ATOM 1164 CB GLN A 82 14.120 12.268 -3.380 1.00 0.00 C ATOM 1165 CG GLN A 82 14.908 13.017 -4.442 1.00 0.00 C ATOM 1166 CD GLN A 82 16.039 12.191 -5.021 1.00 0.00 C ATOM 1167 OE1 GLN A 82 16.663 11.394 -4.320 1.00 0.00 O ATOM 1168 NE2 GLN A 82 16.310 12.376 -6.308 1.00 0.00 N ATOM 0 H GLN A 82 11.815 11.325 -4.286 1.00 0.00 H new ATOM 0 HA GLN A 82 14.625 10.402 -4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.194 12.806 -3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.692 12.262 -2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.234 13.317 -5.245 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.315 13.931 -4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.768 13.047 -6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.060 11.847 -6.752 1.00 0.00 H new ATOM 1177 N GLU A 83 12.478 10.291 -1.797 1.00 0.00 N ATOM 1178 CA GLU A 83 12.148 9.565 -0.576 1.00 0.00 C ATOM 1179 C GLU A 83 11.292 8.340 -0.885 1.00 0.00 C ATOM 1180 O GLU A 83 10.920 8.104 -2.034 1.00 0.00 O ATOM 1181 CB GLU A 83 11.411 10.481 0.404 1.00 0.00 C ATOM 1182 CG GLU A 83 12.151 11.774 0.704 1.00 0.00 C ATOM 1183 CD GLU A 83 13.600 11.541 1.087 1.00 0.00 C ATOM 1184 OE1 GLU A 83 13.871 11.352 2.292 1.00 0.00 O ATOM 1185 OE2 GLU A 83 14.462 11.548 0.184 1.00 0.00 O ATOM 0 H GLU A 83 11.820 11.032 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 83 13.080 9.230 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.429 10.721 -0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.245 9.942 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.110 12.423 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.645 12.299 1.514 1.00 0.00 H new ATOM 1192 N ARG A 84 10.985 7.564 0.149 1.00 0.00 N ATOM 1193 CA ARG A 84 10.176 6.362 -0.012 1.00 0.00 C ATOM 1194 C ARG A 84 9.814 5.765 1.345 1.00 0.00 C ATOM 1195 O ARG A 84 10.499 5.997 2.341 1.00 0.00 O ATOM 1196 CB ARG A 84 10.923 5.327 -0.854 1.00 0.00 C ATOM 1197 CG ARG A 84 12.059 4.643 -0.110 1.00 0.00 C ATOM 1198 CD ARG A 84 13.369 5.396 -0.279 1.00 0.00 C ATOM 1199 NE ARG A 84 13.513 6.469 0.702 1.00 0.00 N ATOM 1200 CZ ARG A 84 14.587 7.246 0.789 1.00 0.00 C ATOM 1201 NH1 ARG A 84 15.606 7.069 -0.041 1.00 0.00 N ATOM 1202 NH2 ARG A 84 14.644 8.201 1.708 1.00 0.00 N ATOM 0 H ARG A 84 11.284 7.746 1.107 1.00 0.00 H new ATOM 0 HA ARG A 84 9.255 6.640 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.216 4.571 -1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.323 5.814 -1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.812 4.574 0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.174 3.623 -0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.202 4.700 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.420 5.814 -1.284 1.00 0.00 H new ATOM 0 HE ARG A 84 12.747 6.630 1.356 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.566 6.335 -0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.430 7.667 0.028 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.863 8.339 2.349 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.469 8.797 1.774 1.00 0.00 H new ATOM 1216 N THR A 85 8.731 4.994 1.377 1.00 0.00 N ATOM 1217 CA THR A 85 8.277 4.364 2.610 1.00 0.00 C ATOM 1218 C THR A 85 7.917 2.901 2.381 1.00 0.00 C ATOM 1219 O THR A 85 7.235 2.564 1.414 1.00 0.00 O ATOM 1220 CB THR A 85 7.055 5.096 3.197 1.00 0.00 C ATOM 1221 OG1 THR A 85 6.707 4.530 4.466 1.00 0.00 O ATOM 1222 CG2 THR A 85 5.865 5.005 2.253 1.00 0.00 C ATOM 0 H THR A 85 8.152 4.791 0.562 1.00 0.00 H new ATOM 0 HA THR A 85 9.103 4.424 3.318 1.00 0.00 H new ATOM 0 HB THR A 85 7.317 6.146 3.327 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.611 5.246 5.128 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.014 5.529 2.689 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.123 5.462 1.298 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.605 3.958 2.096 1.00 0.00 H new ATOM 1230 N SER A 86 8.381 2.035 3.277 1.00 0.00 N ATOM 1231 CA SER A 86 8.110 0.606 3.170 1.00 0.00 C ATOM 1232 C SER A 86 7.232 0.132 4.324 1.00 0.00 C ATOM 1233 O SER A 86 7.181 0.763 5.380 1.00 0.00 O ATOM 1234 CB SER A 86 9.421 -0.183 3.154 1.00 0.00 C ATOM 1235 OG SER A 86 9.276 -1.397 2.439 1.00 0.00 O ATOM 0 H SER A 86 8.946 2.298 4.084 1.00 0.00 H new ATOM 0 HA SER A 86 7.577 0.431 2.235 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.206 0.420 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.734 -0.394 4.176 1.00 0.00 H new ATOM 0 HG SER A 86 8.324 -1.591 2.313 1.00 0.00 H new ATOM 1241 N ALA A 87 6.542 -0.985 4.115 1.00 0.00 N ATOM 1242 CA ALA A 87 5.668 -1.546 5.137 1.00 0.00 C ATOM 1243 C ALA A 87 5.617 -3.067 5.041 1.00 0.00 C ATOM 1244 O ALA A 87 6.021 -3.651 4.035 1.00 0.00 O ATOM 1245 CB ALA A 87 4.269 -0.961 5.013 1.00 0.00 C ATOM 0 H ALA A 87 6.572 -1.519 3.246 1.00 0.00 H new ATOM 0 HA ALA A 87 6.076 -1.283 6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.626 -1.389 5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.315 0.121 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.862 -1.195 4.029 1.00 0.00 H new ATOM 1251 N THR A 88 5.119 -3.705 6.096 1.00 0.00 N ATOM 1252 CA THR A 88 5.018 -5.159 6.132 1.00 0.00 C ATOM 1253 C THR A 88 3.564 -5.610 6.065 1.00 0.00 C ATOM 1254 O THR A 88 2.705 -5.080 6.771 1.00 0.00 O ATOM 1255 CB THR A 88 5.665 -5.736 7.405 1.00 0.00 C ATOM 1256 OG1 THR A 88 7.031 -5.315 7.495 1.00 0.00 O ATOM 1257 CG2 THR A 88 5.595 -7.255 7.407 1.00 0.00 C ATOM 0 H THR A 88 4.779 -3.238 6.937 1.00 0.00 H new ATOM 0 HA THR A 88 5.553 -5.535 5.260 1.00 0.00 H new ATOM 0 HB THR A 88 5.113 -5.362 8.268 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.434 -5.685 8.308 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.058 -7.639 8.316 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.553 -7.571 7.369 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.124 -7.645 6.537 1.00 0.00 H new ATOM 1265 N LEU A 89 3.293 -6.592 5.213 1.00 0.00 N ATOM 1266 CA LEU A 89 1.941 -7.117 5.054 1.00 0.00 C ATOM 1267 C LEU A 89 1.815 -8.500 5.685 1.00 0.00 C ATOM 1268 O LEU A 89 2.424 -9.464 5.220 1.00 0.00 O ATOM 1269 CB LEU A 89 1.569 -7.184 3.572 1.00 0.00 C ATOM 1270 CG LEU A 89 0.104 -7.489 3.260 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -0.772 -6.289 3.588 1.00 0.00 C ATOM 1272 CD2 LEU A 89 -0.059 -7.887 1.801 1.00 0.00 C ATOM 0 H LEU A 89 3.992 -7.041 4.621 1.00 0.00 H new ATOM 0 HA LEU A 89 1.254 -6.442 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.827 -6.231 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.187 -7.946 3.097 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.213 -8.326 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.812 -6.524 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.678 -6.049 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.454 -5.433 2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.108 -8.100 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.276 -7.070 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.538 -8.776 1.597 1.00 0.00 H new ATOM 1284 N THR A 90 1.020 -8.591 6.746 1.00 0.00 N ATOM 1285 CA THR A 90 0.813 -9.855 7.440 1.00 0.00 C ATOM 1286 C THR A 90 -0.357 -10.627 6.840 1.00 0.00 C ATOM 1287 O THR A 90 -1.508 -10.202 6.936 1.00 0.00 O ATOM 1288 CB THR A 90 0.552 -9.636 8.942 1.00 0.00 C ATOM 1289 OG1 THR A 90 1.695 -9.027 9.554 1.00 0.00 O ATOM 1290 CG2 THR A 90 0.240 -10.953 9.636 1.00 0.00 C ATOM 0 H THR A 90 0.508 -7.803 7.144 1.00 0.00 H new ATOM 0 HA THR A 90 1.728 -10.435 7.319 1.00 0.00 H new ATOM 0 HB THR A 90 -0.310 -8.977 9.046 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.521 -8.889 10.508 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.059 -10.772 10.696 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.648 -11.399 9.188 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.084 -11.633 9.523 1.00 0.00 H new ATOM 1298 N VAL A 91 -0.054 -11.764 6.222 1.00 0.00 N ATOM 1299 CA VAL A 91 -1.082 -12.597 5.608 1.00 0.00 C ATOM 1300 C VAL A 91 -1.313 -13.869 6.415 1.00 0.00 C ATOM 1301 O VAL A 91 -0.484 -14.780 6.409 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.705 -12.980 4.164 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -1.749 -13.912 3.569 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.542 -11.733 3.308 1.00 0.00 C ATOM 0 H VAL A 91 0.894 -12.129 6.133 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.999 -12.008 5.593 1.00 0.00 H new ATOM 0 HB VAL A 91 0.249 -13.507 4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.466 -14.172 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.812 -14.819 4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.719 -13.414 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.276 -12.022 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.479 -11.177 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.246 -11.106 3.725 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.445 -13.926 7.109 1.00 0.00 N ATOM 1315 CA ARG A 92 -2.786 -15.086 7.923 1.00 0.00 C ATOM 1316 C ARG A 92 -3.420 -16.181 7.069 1.00 0.00 C ATOM 1317 O ARG A 92 -4.212 -15.900 6.170 1.00 0.00 O ATOM 1318 CB ARG A 92 -3.741 -14.685 9.048 1.00 0.00 C ATOM 1319 CG ARG A 92 -3.102 -13.792 10.100 1.00 0.00 C ATOM 1320 CD ARG A 92 -4.118 -13.335 11.135 1.00 0.00 C ATOM 1321 NE ARG A 92 -3.482 -12.940 12.389 1.00 0.00 N ATOM 1322 CZ ARG A 92 -2.875 -13.793 13.206 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -2.822 -15.083 12.903 1.00 0.00 N ATOM 1324 NH2 ARG A 92 -2.319 -13.357 14.329 1.00 0.00 N ATOM 0 H ARG A 92 -3.142 -13.181 7.124 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.866 -15.475 8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.599 -14.169 8.618 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.120 -15.586 9.530 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.294 -14.332 10.595 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.656 -12.922 9.618 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.688 -12.495 10.737 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.828 -14.140 11.326 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.505 -11.955 12.652 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.248 -15.422 12.041 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.355 -15.736 13.532 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.358 -12.366 14.566 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.853 -14.013 14.956 1.00 0.00 H new ATOM 1338 N ALA A 93 -3.065 -17.429 7.358 1.00 0.00 N ATOM 1339 CA ALA A 93 -3.601 -18.565 6.618 1.00 0.00 C ATOM 1340 C ALA A 93 -4.934 -19.021 7.202 1.00 0.00 C ATOM 1341 O ALA A 93 -5.082 -19.141 8.419 1.00 0.00 O ATOM 1342 CB ALA A 93 -2.602 -19.713 6.619 1.00 0.00 C ATOM 0 H ALA A 93 -2.409 -17.679 8.098 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.774 -18.249 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.015 -20.555 6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.674 -19.388 6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.401 -20.020 7.646 1.00 0.00 H new ATOM 1348 N LEU A 94 -5.901 -19.274 6.328 1.00 0.00 N ATOM 1349 CA LEU A 94 -7.224 -19.716 6.756 1.00 0.00 C ATOM 1350 C LEU A 94 -7.189 -21.172 7.212 1.00 0.00 C ATOM 1351 O LEU A 94 -6.435 -21.993 6.692 1.00 0.00 O ATOM 1352 CB LEU A 94 -8.233 -19.550 5.619 1.00 0.00 C ATOM 1353 CG LEU A 94 -8.671 -18.117 5.315 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -7.711 -17.461 4.336 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -10.091 -18.099 4.767 1.00 0.00 C ATOM 0 H LEU A 94 -5.794 -19.181 5.318 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.532 -19.097 7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.803 -19.977 4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.120 -20.137 5.858 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.654 -17.547 6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.039 -16.442 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.710 -17.440 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.694 -18.030 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.387 -17.071 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.134 -18.685 3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.771 -18.528 5.503 1.00 0.00 H new ATOM 1367 N PRO A 95 -8.028 -21.501 8.206 1.00 0.00 N ATOM 1368 CA PRO A 95 -8.114 -22.858 8.752 1.00 0.00 C ATOM 1369 C PRO A 95 -8.741 -23.840 7.768 1.00 0.00 C ATOM 1370 O PRO A 95 -9.299 -23.439 6.747 1.00 0.00 O ATOM 1371 CB PRO A 95 -9.010 -22.689 9.982 1.00 0.00 C ATOM 1372 CG PRO A 95 -9.832 -21.482 9.689 1.00 0.00 C ATOM 1373 CD PRO A 95 -8.956 -20.572 8.874 1.00 0.00 C ATOM 0 HA PRO A 95 -7.130 -23.270 8.977 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -9.637 -23.567 10.138 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.418 -22.555 10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.735 -21.749 9.140 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.151 -20.994 10.610 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -9.536 -19.995 8.153 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.426 -19.856 9.502 1.00 0.00 H new ATOM 1381 N ALA A 96 -8.645 -25.128 8.081 1.00 0.00 N ATOM 1382 CA ALA A 96 -9.204 -26.166 7.225 1.00 0.00 C ATOM 1383 C ALA A 96 -10.550 -26.649 7.756 1.00 0.00 C ATOM 1384 O ALA A 96 -10.850 -26.501 8.940 1.00 0.00 O ATOM 1385 CB ALA A 96 -8.233 -27.332 7.106 1.00 0.00 C ATOM 0 H ALA A 96 -8.185 -25.477 8.922 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.365 -25.739 6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.664 -28.100 6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.295 -26.982 6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.044 -27.750 8.095 1.00 0.00 H new ATOM 1391 N ARG A 97 -11.356 -27.227 6.872 1.00 0.00 N ATOM 1392 CA ARG A 97 -12.671 -27.730 7.251 1.00 0.00 C ATOM 1393 C ARG A 97 -12.929 -29.100 6.631 1.00 0.00 C ATOM 1394 O ARG A 97 -12.563 -29.352 5.483 1.00 0.00 O ATOM 1395 CB ARG A 97 -13.761 -26.748 6.817 1.00 0.00 C ATOM 1396 CG ARG A 97 -13.762 -26.461 5.324 1.00 0.00 C ATOM 1397 CD ARG A 97 -14.984 -25.654 4.913 1.00 0.00 C ATOM 1398 NE ARG A 97 -14.741 -24.216 4.989 1.00 0.00 N ATOM 1399 CZ ARG A 97 -14.064 -23.535 4.071 1.00 0.00 C ATOM 1400 NH1 ARG A 97 -13.566 -24.158 3.012 1.00 0.00 N ATOM 1401 NH2 ARG A 97 -13.885 -22.227 4.211 1.00 0.00 N ATOM 0 H ARG A 97 -11.122 -27.359 5.888 1.00 0.00 H new ATOM 0 HA ARG A 97 -12.694 -27.832 8.336 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -14.734 -27.149 7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.631 -25.811 7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.857 -25.915 5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -13.742 -27.400 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -15.269 -25.920 3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -15.824 -25.914 5.557 1.00 0.00 H new ATOM 0 HE ARG A 97 -15.112 -23.706 5.791 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -13.702 -25.163 2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.047 -23.633 2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.267 -21.744 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.365 -21.705 3.506 1.00 0.00 H new ATOM 1415 N PHE A 98 -13.561 -29.981 7.399 1.00 0.00 N ATOM 1416 CA PHE A 98 -13.867 -31.327 6.925 1.00 0.00 C ATOM 1417 C PHE A 98 -15.180 -31.827 7.520 1.00 0.00 C ATOM 1418 O PHE A 98 -15.338 -31.886 8.740 1.00 0.00 O ATOM 1419 CB PHE A 98 -12.732 -32.287 7.286 1.00 0.00 C ATOM 1420 CG PHE A 98 -12.701 -33.525 6.436 1.00 0.00 C ATOM 1421 CD1 PHE A 98 -13.764 -34.414 6.444 1.00 0.00 C ATOM 1422 CD2 PHE A 98 -11.609 -33.800 5.628 1.00 0.00 C ATOM 1423 CE1 PHE A 98 -13.739 -35.554 5.663 1.00 0.00 C ATOM 1424 CE2 PHE A 98 -11.579 -34.938 4.844 1.00 0.00 C ATOM 1425 CZ PHE A 98 -12.645 -35.816 4.862 1.00 0.00 C ATOM 0 H PHE A 98 -13.871 -29.788 8.351 1.00 0.00 H new ATOM 0 HA PHE A 98 -13.971 -31.289 5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -11.780 -31.765 7.188 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -12.831 -32.577 8.332 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -14.622 -34.214 7.068 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.772 -33.117 5.611 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.574 -36.239 5.679 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -10.723 -35.140 4.218 1.00 0.00 H new ATOM 0 HZ PHE A 98 -12.623 -36.706 4.251 1.00 0.00 H new ATOM 1435 N ILE A 99 -16.118 -32.186 6.651 1.00 0.00 N ATOM 1436 CA ILE A 99 -17.416 -32.681 7.089 1.00 0.00 C ATOM 1437 C ILE A 99 -17.265 -33.691 8.222 1.00 0.00 C ATOM 1438 O ILE A 99 -16.741 -34.786 8.025 1.00 0.00 O ATOM 1439 CB ILE A 99 -18.189 -33.339 5.930 1.00 0.00 C ATOM 1440 CG1 ILE A 99 -18.420 -32.330 4.804 1.00 0.00 C ATOM 1441 CG2 ILE A 99 -19.513 -33.899 6.427 1.00 0.00 C ATOM 1442 CD1 ILE A 99 -18.742 -32.972 3.473 1.00 0.00 C ATOM 0 H ILE A 99 -16.003 -32.143 5.638 1.00 0.00 H new ATOM 0 HA ILE A 99 -17.978 -31.818 7.446 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.593 -34.163 5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -19.237 -31.666 5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.530 -31.711 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -20.047 -34.361 5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -19.325 -34.646 7.198 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -20.116 -33.092 6.843 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -18.893 -32.197 2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -17.915 -33.615 3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -19.650 -33.568 3.567 1.00 0.00 H new ATOM 1454 N GLU A 100 -17.730 -33.313 9.409 1.00 0.00 N ATOM 1455 CA GLU A 100 -17.647 -34.187 10.574 1.00 0.00 C ATOM 1456 C GLU A 100 -18.755 -35.235 10.548 1.00 0.00 C ATOM 1457 O GLU A 100 -19.809 -35.026 9.946 1.00 0.00 O ATOM 1458 CB GLU A 100 -17.737 -33.366 11.862 1.00 0.00 C ATOM 1459 CG GLU A 100 -19.112 -32.767 12.108 1.00 0.00 C ATOM 1460 CD GLU A 100 -19.296 -31.428 11.422 1.00 0.00 C ATOM 1461 OE1 GLU A 100 -18.617 -30.458 11.819 1.00 0.00 O ATOM 1462 OE2 GLU A 100 -20.120 -31.349 10.486 1.00 0.00 O ATOM 0 H GLU A 100 -18.167 -32.409 9.589 1.00 0.00 H new ATOM 0 HA GLU A 100 -16.685 -34.699 10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -17.470 -34.001 12.707 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.002 -32.562 11.823 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -19.875 -33.460 11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -19.265 -32.646 13.180 1.00 0.00 H new ATOM 1469 N ASP A 101 -18.509 -36.364 11.203 1.00 0.00 N ATOM 1470 CA ASP A 101 -19.485 -37.446 11.256 1.00 0.00 C ATOM 1471 C ASP A 101 -20.191 -37.476 12.608 1.00 0.00 C ATOM 1472 O ASP A 101 -20.425 -38.544 13.174 1.00 0.00 O ATOM 1473 CB ASP A 101 -18.804 -38.790 10.993 1.00 0.00 C ATOM 1474 CG ASP A 101 -18.130 -38.841 9.635 1.00 0.00 C ATOM 1475 OD1 ASP A 101 -18.752 -38.398 8.648 1.00 0.00 O ATOM 1476 OD2 ASP A 101 -16.982 -39.326 9.560 1.00 0.00 O ATOM 0 H ASP A 101 -17.642 -36.554 11.705 1.00 0.00 H new ATOM 0 HA ASP A 101 -20.230 -37.267 10.481 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -18.063 -38.977 11.770 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.544 -39.588 11.059 1.00 0.00 H new ATOM 1481 N SER A 102 -20.526 -36.297 13.122 1.00 0.00 N ATOM 1482 CA SER A 102 -21.200 -36.188 14.410 1.00 0.00 C ATOM 1483 C SER A 102 -22.397 -35.246 14.318 1.00 0.00 C ATOM 1484 O SER A 102 -22.599 -34.578 13.306 1.00 0.00 O ATOM 1485 CB SER A 102 -20.225 -35.689 15.479 1.00 0.00 C ATOM 1486 OG SER A 102 -19.827 -34.353 15.223 1.00 0.00 O ATOM 0 H SER A 102 -20.341 -35.404 12.666 1.00 0.00 H new ATOM 0 HA SER A 102 -21.559 -37.178 14.690 1.00 0.00 H new ATOM 0 HB2 SER A 102 -20.695 -35.750 16.461 1.00 0.00 H new ATOM 0 HB3 SER A 102 -19.347 -36.335 15.505 1.00 0.00 H new ATOM 0 HG SER A 102 -19.206 -34.057 15.921 1.00 0.00 H new ATOM 1492 N GLY A 103 -23.189 -35.200 15.386 1.00 0.00 N ATOM 1493 CA GLY A 103 -24.357 -34.339 15.406 1.00 0.00 C ATOM 1494 C GLY A 103 -24.982 -34.244 16.784 1.00 0.00 C ATOM 1495 O GLY A 103 -25.936 -34.953 17.106 1.00 0.00 O ATOM 0 H GLY A 103 -23.042 -35.743 16.237 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -24.075 -33.342 15.068 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -25.096 -34.718 14.700 1.00 0.00 H new ATOM 1499 N PRO A 104 -24.439 -33.351 17.624 1.00 0.00 N ATOM 1500 CA PRO A 104 -24.934 -33.145 18.989 1.00 0.00 C ATOM 1501 C PRO A 104 -26.307 -32.481 19.014 1.00 0.00 C ATOM 1502 O PRO A 104 -26.921 -32.343 20.071 1.00 0.00 O ATOM 1503 CB PRO A 104 -23.883 -32.224 19.612 1.00 0.00 C ATOM 1504 CG PRO A 104 -23.277 -31.504 18.457 1.00 0.00 C ATOM 1505 CD PRO A 104 -23.301 -32.472 17.307 1.00 0.00 C ATOM 0 HA PRO A 104 -25.065 -34.087 19.522 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -24.335 -31.528 20.319 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -23.133 -32.794 20.161 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -23.841 -30.602 18.220 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -22.257 -31.192 18.683 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -23.441 -31.961 16.355 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -22.369 -33.032 17.234 1.00 0.00 H new ATOM 1513 N SER A 105 -26.782 -32.071 17.842 1.00 0.00 N ATOM 1514 CA SER A 105 -28.081 -31.418 17.730 1.00 0.00 C ATOM 1515 C SER A 105 -29.213 -32.433 17.867 1.00 0.00 C ATOM 1516 O SER A 105 -29.618 -33.063 16.890 1.00 0.00 O ATOM 1517 CB SER A 105 -28.195 -30.688 16.391 1.00 0.00 C ATOM 1518 OG SER A 105 -29.098 -29.599 16.479 1.00 0.00 O ATOM 0 H SER A 105 -26.287 -32.180 16.957 1.00 0.00 H new ATOM 0 HA SER A 105 -28.166 -30.693 18.539 1.00 0.00 H new ATOM 0 HB2 SER A 105 -27.213 -30.327 16.086 1.00 0.00 H new ATOM 0 HB3 SER A 105 -28.532 -31.383 15.622 1.00 0.00 H new ATOM 0 HG SER A 105 -29.152 -29.148 15.611 1.00 0.00 H new ATOM 1524 N SER A 106 -29.718 -32.585 19.087 1.00 0.00 N ATOM 1525 CA SER A 106 -30.800 -33.525 19.354 1.00 0.00 C ATOM 1526 C SER A 106 -31.460 -33.227 20.697 1.00 0.00 C ATOM 1527 O SER A 106 -30.813 -33.273 21.743 1.00 0.00 O ATOM 1528 CB SER A 106 -30.272 -34.961 19.340 1.00 0.00 C ATOM 1529 OG SER A 106 -31.327 -35.890 19.161 1.00 0.00 O ATOM 0 H SER A 106 -29.395 -32.069 19.906 1.00 0.00 H new ATOM 0 HA SER A 106 -31.547 -33.413 18.569 1.00 0.00 H new ATOM 0 HB2 SER A 106 -29.542 -35.076 18.539 1.00 0.00 H new ATOM 0 HB3 SER A 106 -29.754 -35.170 20.276 1.00 0.00 H new ATOM 0 HG SER A 106 -30.964 -36.800 19.154 1.00 0.00 H new ATOM 1535 N GLY A 107 -32.753 -32.921 20.660 1.00 0.00 N ATOM 1536 CA GLY A 107 -33.480 -32.620 21.879 1.00 0.00 C ATOM 1537 C GLY A 107 -34.982 -32.634 21.678 1.00 0.00 C ATOM 1538 O GLY A 107 -35.631 -31.589 21.722 1.00 0.00 O ATOM 0 H GLY A 107 -33.310 -32.876 19.807 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -33.213 -33.347 22.646 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -33.175 -31.640 22.247 1.00 0.00 H new TER 1542 GLY A 107