USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 928 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 Single : A 1 GLY N :NH3+ -122:sc= 0.0808 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 64:sc= 0.268 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 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 4:sc= 0.68 USER MOD Single : A 24 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.96) USER MOD Single : A 29 CYS SG : rot -27:sc= -8.41! USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.248 F(o=-1.2,f=-0.25) USER MOD Single : A 32 HIS : no HD1:sc= -0.742 X(o=-0.74,f=-0.57) USER MOD Single : A 33 THR OG1 : rot 110:sc= -1.3 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc=-0.00373 X(o=-0.0037,f=-0.094) USER MOD Single : A 38 CYS SG : rot -170:sc= -1.3 USER MOD Single : A 42 SER OG : rot -68:sc= -0.107 USER MOD Single : A 51 GLN : amide:sc= -0.623 K(o=-0.62,f=-1.9) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -150:sc= -2.08! (180deg=-3.06!) USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= -0.715 (180deg=-1.79) USER MOD Single : A 65 MET CE :methyl -116:sc= -2.64! (180deg=-6.92!) USER MOD Single : A 70 GLN : amide:sc= -0.607 X(o=-0.61,f=-0.7) USER MOD Single : A 74 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.089) USER MOD Single : A 75 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-4!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 84 HIS :FLIP no HE2:sc= -0.679 F(o=-2!,f=-0.68) USER MOD Single : A 86 SER OG : rot -72:sc= 1.13 USER MOD Single : A 88 MET CE :methyl -134:sc= -2.51 (180deg=-4.83!) USER MOD Single : A 91 HIS : no HD1:sc= -6.7! C(o=-6.7!,f=-6.7!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -77:sc= 0.892 USER MOD Single : A 97 GLN : amide:sc= -1.92! C(o=-1.9!,f=-8!) USER MOD Single : A 99 MET CE :methyl -169:sc=-0.00587 (180deg=-0.231) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.124) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.626 25.347 1.794 1.00 0.00 N ATOM 2 CA GLY A 1 10.351 25.985 0.709 1.00 0.00 C ATOM 3 C GLY A 1 9.442 26.209 -0.501 1.00 0.00 C ATOM 4 O GLY A 1 8.343 25.662 -0.566 1.00 0.00 O ATOM 0 H1 GLY A 1 9.671 25.948 2.642 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.633 25.214 1.516 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.055 24.422 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.753 26.940 1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.200 25.366 0.421 1.00 0.00 H new ATOM 8 N SER A 2 9.936 27.015 -1.430 1.00 0.00 N ATOM 9 CA SER A 2 9.182 27.319 -2.634 1.00 0.00 C ATOM 10 C SER A 2 8.597 26.033 -3.224 1.00 0.00 C ATOM 11 O SER A 2 9.331 25.197 -3.749 1.00 0.00 O ATOM 12 CB SER A 2 10.058 28.026 -3.669 1.00 0.00 C ATOM 13 OG SER A 2 9.627 29.363 -3.910 1.00 0.00 O ATOM 0 H SER A 2 10.849 27.466 -1.373 1.00 0.00 H new ATOM 0 HA SER A 2 8.368 27.992 -2.366 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.092 28.035 -3.323 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.039 27.465 -4.603 1.00 0.00 H new ATOM 0 HG SER A 2 10.213 29.781 -4.575 1.00 0.00 H new ATOM 19 N SER A 3 7.282 25.916 -3.117 1.00 0.00 N ATOM 20 CA SER A 3 6.591 24.746 -3.633 1.00 0.00 C ATOM 21 C SER A 3 5.093 24.854 -3.344 1.00 0.00 C ATOM 22 O SER A 3 4.674 25.653 -2.507 1.00 0.00 O ATOM 23 CB SER A 3 7.158 23.460 -3.029 1.00 0.00 C ATOM 24 OG SER A 3 7.918 22.715 -3.975 1.00 0.00 O ATOM 0 H SER A 3 6.677 26.611 -2.681 1.00 0.00 H new ATOM 0 HA SER A 3 6.744 24.706 -4.711 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.787 23.708 -2.174 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.340 22.844 -2.655 1.00 0.00 H new ATOM 0 HG SER A 3 8.702 23.236 -4.248 1.00 0.00 H new ATOM 30 N GLY A 4 4.325 24.038 -4.052 1.00 0.00 N ATOM 31 CA GLY A 4 2.882 24.032 -3.881 1.00 0.00 C ATOM 32 C GLY A 4 2.468 23.084 -2.754 1.00 0.00 C ATOM 33 O GLY A 4 2.634 21.870 -2.866 1.00 0.00 O ATOM 0 H GLY A 4 4.675 23.377 -4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.534 25.041 -3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.403 23.728 -4.812 1.00 0.00 H new ATOM 37 N SER A 5 1.937 23.674 -1.693 1.00 0.00 N ATOM 38 CA SER A 5 1.498 22.897 -0.546 1.00 0.00 C ATOM 39 C SER A 5 0.463 23.689 0.257 1.00 0.00 C ATOM 40 O SER A 5 0.822 24.537 1.072 1.00 0.00 O ATOM 41 CB SER A 5 2.681 22.513 0.345 1.00 0.00 C ATOM 42 OG SER A 5 2.714 21.114 0.615 1.00 0.00 O ATOM 0 H SER A 5 1.801 24.681 -1.603 1.00 0.00 H new ATOM 0 HA SER A 5 1.040 21.978 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.611 22.811 -0.139 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.621 23.062 1.285 1.00 0.00 H new ATOM 0 HG SER A 5 3.484 20.909 1.185 1.00 0.00 H new ATOM 48 N SER A 6 -0.800 23.383 -0.002 1.00 0.00 N ATOM 49 CA SER A 6 -1.888 24.055 0.687 1.00 0.00 C ATOM 50 C SER A 6 -2.200 23.336 2.000 1.00 0.00 C ATOM 51 O SER A 6 -1.854 22.168 2.170 1.00 0.00 O ATOM 52 CB SER A 6 -3.139 24.122 -0.193 1.00 0.00 C ATOM 53 OG SER A 6 -3.033 25.127 -1.197 1.00 0.00 O ATOM 0 H SER A 6 -1.094 22.679 -0.679 1.00 0.00 H new ATOM 0 HA SER A 6 -1.575 25.076 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.302 23.153 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.010 24.323 0.430 1.00 0.00 H new ATOM 0 HG SER A 6 -3.850 25.136 -1.738 1.00 0.00 H new ATOM 59 N GLY A 7 -2.852 24.063 2.896 1.00 0.00 N ATOM 60 CA GLY A 7 -3.215 23.508 4.189 1.00 0.00 C ATOM 61 C GLY A 7 -3.865 22.132 4.032 1.00 0.00 C ATOM 62 O GLY A 7 -4.552 21.874 3.045 1.00 0.00 O ATOM 0 H GLY A 7 -3.138 25.031 2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.327 23.425 4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.903 24.183 4.698 1.00 0.00 H new ATOM 66 N VAL A 8 -3.624 21.284 5.021 1.00 0.00 N ATOM 67 CA VAL A 8 -4.177 19.940 5.006 1.00 0.00 C ATOM 68 C VAL A 8 -5.446 19.905 5.861 1.00 0.00 C ATOM 69 O VAL A 8 -5.418 19.444 7.001 1.00 0.00 O ATOM 70 CB VAL A 8 -3.120 18.934 5.464 1.00 0.00 C ATOM 71 CG1 VAL A 8 -3.617 17.497 5.289 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.799 19.151 4.723 1.00 0.00 C ATOM 0 H VAL A 8 -3.053 21.501 5.838 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.460 19.655 3.993 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.940 19.099 6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.846 16.802 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.519 17.349 5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.840 17.315 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.065 18.423 5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.958 19.027 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.432 20.158 4.921 1.00 0.00 H new ATOM 82 N ILE A 9 -6.528 20.399 5.278 1.00 0.00 N ATOM 83 CA ILE A 9 -7.804 20.431 5.972 1.00 0.00 C ATOM 84 C ILE A 9 -8.769 19.452 5.300 1.00 0.00 C ATOM 85 O ILE A 9 -8.718 19.259 4.087 1.00 0.00 O ATOM 86 CB ILE A 9 -8.336 21.863 6.051 1.00 0.00 C ATOM 87 CG1 ILE A 9 -7.470 22.720 6.976 1.00 0.00 C ATOM 88 CG2 ILE A 9 -9.808 21.879 6.466 1.00 0.00 C ATOM 89 CD1 ILE A 9 -7.663 24.209 6.685 1.00 0.00 C ATOM 0 H ILE A 9 -6.547 20.781 4.332 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.684 20.104 7.005 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.277 22.304 5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.726 22.513 8.015 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.421 22.454 6.847 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.161 22.909 6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.398 21.327 5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.915 21.412 7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.036 24.795 7.357 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.383 24.417 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.708 24.477 6.838 1.00 0.00 H new ATOM 101 N GLU A 10 -9.627 18.861 6.119 1.00 0.00 N ATOM 102 CA GLU A 10 -10.602 17.907 5.619 1.00 0.00 C ATOM 103 C GLU A 10 -9.896 16.680 5.039 1.00 0.00 C ATOM 104 O GLU A 10 -9.128 16.795 4.084 1.00 0.00 O ATOM 105 CB GLU A 10 -11.519 18.554 4.580 1.00 0.00 C ATOM 106 CG GLU A 10 -12.370 19.658 5.211 1.00 0.00 C ATOM 107 CD GLU A 10 -13.844 19.499 4.832 1.00 0.00 C ATOM 108 OE1 GLU A 10 -14.379 18.398 5.084 1.00 0.00 O ATOM 109 OE2 GLU A 10 -14.402 20.483 4.298 1.00 0.00 O ATOM 0 H GLU A 10 -9.667 19.024 7.125 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.224 17.583 6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.920 18.970 3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.168 17.796 4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.265 19.628 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.009 20.633 4.882 1.00 0.00 H new ATOM 116 N SER A 11 -10.180 15.534 5.639 1.00 0.00 N ATOM 117 CA SER A 11 -9.582 14.287 5.193 1.00 0.00 C ATOM 118 C SER A 11 -8.078 14.298 5.475 1.00 0.00 C ATOM 119 O SER A 11 -7.328 15.027 4.828 1.00 0.00 O ATOM 120 CB SER A 11 -9.842 14.053 3.704 1.00 0.00 C ATOM 121 OG SER A 11 -10.878 13.099 3.486 1.00 0.00 O ATOM 0 H SER A 11 -10.817 15.442 6.431 1.00 0.00 H new ATOM 0 HA SER A 11 -10.043 13.469 5.747 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.113 14.997 3.231 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.925 13.708 3.226 1.00 0.00 H new ATOM 0 HG SER A 11 -11.015 12.979 2.523 1.00 0.00 H new ATOM 127 N GLU A 12 -7.683 13.482 6.441 1.00 0.00 N ATOM 128 CA GLU A 12 -6.283 13.389 6.816 1.00 0.00 C ATOM 129 C GLU A 12 -5.919 11.941 7.154 1.00 0.00 C ATOM 130 O GLU A 12 -6.799 11.112 7.376 1.00 0.00 O ATOM 131 CB GLU A 12 -5.965 14.321 7.986 1.00 0.00 C ATOM 132 CG GLU A 12 -6.772 13.937 9.228 1.00 0.00 C ATOM 133 CD GLU A 12 -8.231 14.377 9.092 1.00 0.00 C ATOM 134 OE1 GLU A 12 -8.463 15.603 9.163 1.00 0.00 O ATOM 135 OE2 GLU A 12 -9.081 13.476 8.921 1.00 0.00 O ATOM 0 H GLU A 12 -8.309 12.879 6.975 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.678 13.707 5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.900 14.276 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.189 15.351 7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.726 12.858 9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.330 14.399 10.111 1.00 0.00 H new ATOM 142 N THR A 13 -4.619 11.683 7.182 1.00 0.00 N ATOM 143 CA THR A 13 -4.128 10.350 7.489 1.00 0.00 C ATOM 144 C THR A 13 -2.692 10.419 8.011 1.00 0.00 C ATOM 145 O THR A 13 -1.904 11.251 7.564 1.00 0.00 O ATOM 146 CB THR A 13 -4.278 9.490 6.233 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.668 9.177 6.190 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.594 8.128 6.371 1.00 0.00 C ATOM 0 H THR A 13 -3.892 12.374 6.997 1.00 0.00 H new ATOM 0 HA THR A 13 -4.709 9.888 8.287 1.00 0.00 H new ATOM 0 HB THR A 13 -3.861 10.021 5.378 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.129 9.636 6.923 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.731 7.558 5.452 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.529 8.272 6.554 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.034 7.583 7.206 1.00 0.00 H new ATOM 156 N LEU A 14 -2.394 9.532 8.949 1.00 0.00 N ATOM 157 CA LEU A 14 -1.066 9.481 9.536 1.00 0.00 C ATOM 158 C LEU A 14 -0.245 8.395 8.837 1.00 0.00 C ATOM 159 O LEU A 14 -0.767 7.330 8.511 1.00 0.00 O ATOM 160 CB LEU A 14 -1.157 9.302 11.053 1.00 0.00 C ATOM 161 CG LEU A 14 -1.996 10.340 11.802 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.652 9.725 13.039 1.00 0.00 C ATOM 163 CD2 LEU A 14 -1.160 11.573 12.149 1.00 0.00 C ATOM 0 H LEU A 14 -3.050 8.843 9.317 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.545 10.425 9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.569 8.314 11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.147 9.317 11.462 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.799 10.671 11.143 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.242 10.484 13.553 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.301 8.904 12.736 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.881 9.349 13.711 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.780 12.295 12.681 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.322 11.279 12.781 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.781 12.025 11.233 1.00 0.00 H new ATOM 175 N ILE A 15 1.027 8.703 8.628 1.00 0.00 N ATOM 176 CA ILE A 15 1.925 7.766 7.974 1.00 0.00 C ATOM 177 C ILE A 15 2.026 6.492 8.814 1.00 0.00 C ATOM 178 O ILE A 15 2.161 5.396 8.271 1.00 0.00 O ATOM 179 CB ILE A 15 3.276 8.427 7.693 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.179 7.502 6.875 1.00 0.00 C ATOM 181 CG2 ILE A 15 3.945 8.880 8.992 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.507 8.186 6.542 1.00 0.00 C ATOM 0 H ILE A 15 1.457 9.587 8.900 1.00 0.00 H new ATOM 0 HA ILE A 15 1.530 7.475 7.001 1.00 0.00 H new ATOM 0 HB ILE A 15 3.102 9.320 7.093 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.368 6.585 7.434 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.672 7.215 5.953 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.903 9.346 8.764 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.303 9.599 9.500 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.106 8.017 9.638 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.130 7.507 5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.316 9.089 5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.022 8.450 7.466 1.00 0.00 H new ATOM 194 N GLU A 16 1.958 6.678 10.124 1.00 0.00 N ATOM 195 CA GLU A 16 2.041 5.556 11.044 1.00 0.00 C ATOM 196 C GLU A 16 0.725 4.776 11.049 1.00 0.00 C ATOM 197 O GLU A 16 0.637 3.704 11.646 1.00 0.00 O ATOM 198 CB GLU A 16 2.403 6.029 12.453 1.00 0.00 C ATOM 199 CG GLU A 16 3.856 6.505 12.516 1.00 0.00 C ATOM 200 CD GLU A 16 4.759 5.429 13.122 1.00 0.00 C ATOM 201 OE1 GLU A 16 4.644 4.270 12.670 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.545 5.791 14.024 1.00 0.00 O ATOM 0 H GLU A 16 1.846 7.588 10.570 1.00 0.00 H new ATOM 0 HA GLU A 16 2.834 4.890 10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.738 6.840 12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.252 5.216 13.163 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.204 6.755 11.514 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.919 7.416 13.112 1.00 0.00 H new ATOM 209 N ASP A 17 -0.265 5.343 10.376 1.00 0.00 N ATOM 210 CA ASP A 17 -1.572 4.714 10.295 1.00 0.00 C ATOM 211 C ASP A 17 -1.668 3.911 8.996 1.00 0.00 C ATOM 212 O ASP A 17 -2.431 2.951 8.910 1.00 0.00 O ATOM 213 CB ASP A 17 -2.688 5.760 10.288 1.00 0.00 C ATOM 214 CG ASP A 17 -3.432 5.922 11.615 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.901 5.418 12.628 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.514 6.547 11.586 1.00 0.00 O ATOM 0 H ASP A 17 -0.188 6.232 9.881 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.689 4.068 11.165 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.261 6.723 10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.409 5.495 9.515 1.00 0.00 H new ATOM 221 N VAL A 18 -0.882 4.335 8.017 1.00 0.00 N ATOM 222 CA VAL A 18 -0.868 3.668 6.726 1.00 0.00 C ATOM 223 C VAL A 18 0.273 2.650 6.695 1.00 0.00 C ATOM 224 O VAL A 18 0.266 1.729 5.881 1.00 0.00 O ATOM 225 CB VAL A 18 -0.777 4.703 5.603 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.725 4.023 4.234 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.938 5.697 5.678 1.00 0.00 C ATOM 0 H VAL A 18 -0.250 5.132 8.092 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.797 3.120 6.569 1.00 0.00 H new ATOM 0 HB VAL A 18 0.150 5.261 5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.661 4.781 3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.149 3.374 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.627 3.428 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.849 6.422 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.882 5.161 5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.910 6.217 6.635 1.00 0.00 H new ATOM 237 N LEU A 19 1.227 2.851 7.593 1.00 0.00 N ATOM 238 CA LEU A 19 2.373 1.962 7.678 1.00 0.00 C ATOM 239 C LEU A 19 2.088 0.867 8.708 1.00 0.00 C ATOM 240 O LEU A 19 2.492 -0.281 8.527 1.00 0.00 O ATOM 241 CB LEU A 19 3.648 2.758 7.964 1.00 0.00 C ATOM 242 CG LEU A 19 4.278 3.470 6.765 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.366 2.607 6.124 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.209 3.889 5.753 1.00 0.00 C ATOM 0 H LEU A 19 1.229 3.616 8.267 1.00 0.00 H new ATOM 0 HA LEU A 19 2.542 1.466 6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.424 3.503 8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.388 2.080 8.389 1.00 0.00 H new ATOM 0 HG LEU A 19 4.759 4.381 7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.797 3.137 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.146 2.401 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.931 1.667 5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.683 4.393 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.680 3.006 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.502 4.567 6.230 1.00 0.00 H new ATOM 256 N ARG A 20 1.394 1.260 9.766 1.00 0.00 N ATOM 257 CA ARG A 20 1.050 0.326 10.825 1.00 0.00 C ATOM 258 C ARG A 20 0.527 -0.983 10.229 1.00 0.00 C ATOM 259 O ARG A 20 0.995 -2.062 10.588 1.00 0.00 O ATOM 260 CB ARG A 20 -0.012 0.915 11.755 1.00 0.00 C ATOM 261 CG ARG A 20 0.584 1.251 13.124 1.00 0.00 C ATOM 262 CD ARG A 20 0.991 -0.020 13.872 1.00 0.00 C ATOM 263 NE ARG A 20 0.908 0.204 15.333 1.00 0.00 N ATOM 264 CZ ARG A 20 -0.239 0.234 16.025 1.00 0.00 C ATOM 265 NH1 ARG A 20 -1.407 0.054 15.393 1.00 0.00 N ATOM 266 NH2 ARG A 20 -0.217 0.444 17.348 1.00 0.00 N ATOM 0 H ARG A 20 1.060 2.213 9.913 1.00 0.00 H new ATOM 0 HA ARG A 20 1.954 0.131 11.402 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.434 1.815 11.307 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.830 0.205 11.875 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.453 1.897 12.998 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.144 1.808 13.715 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.340 -0.845 13.585 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.006 -0.305 13.596 1.00 0.00 H new ATOM 0 HE ARG A 20 1.779 0.344 15.845 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.423 -0.106 14.386 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.280 0.077 15.919 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.673 0.581 17.828 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.090 0.467 17.875 1.00 0.00 H new ATOM 280 N PRO A 21 -0.460 -0.840 9.305 1.00 0.00 N ATOM 281 CA PRO A 21 -1.051 -1.997 8.656 1.00 0.00 C ATOM 282 C PRO A 21 -0.105 -2.580 7.605 1.00 0.00 C ATOM 283 O PRO A 21 0.151 -3.783 7.593 1.00 0.00 O ATOM 284 CB PRO A 21 -2.358 -1.493 8.065 1.00 0.00 C ATOM 285 CG PRO A 21 -2.229 0.021 8.002 1.00 0.00 C ATOM 286 CD PRO A 21 -1.038 0.424 8.855 1.00 0.00 C ATOM 0 HA PRO A 21 -1.233 -2.819 9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.526 -1.913 7.073 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.206 -1.788 8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.089 0.349 6.972 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.139 0.497 8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.318 1.006 8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.346 1.041 9.699 1.00 0.00 H new ATOM 294 N LEU A 22 0.389 -1.699 6.747 1.00 0.00 N ATOM 295 CA LEU A 22 1.302 -2.110 5.694 1.00 0.00 C ATOM 296 C LEU A 22 2.420 -2.963 6.298 1.00 0.00 C ATOM 297 O LEU A 22 2.794 -3.991 5.736 1.00 0.00 O ATOM 298 CB LEU A 22 1.809 -0.893 4.918 1.00 0.00 C ATOM 299 CG LEU A 22 0.973 -0.474 3.707 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.395 0.907 3.200 1.00 0.00 C ATOM 301 CD2 LEU A 22 1.037 -1.533 2.604 1.00 0.00 C ATOM 0 H LEU A 22 0.174 -0.702 6.760 1.00 0.00 H new ATOM 0 HA LEU A 22 0.785 -2.732 4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.868 -0.048 5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.824 -1.100 4.580 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.068 -0.398 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.785 1.181 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.256 1.643 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.445 0.882 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.434 -1.211 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.071 -1.665 2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.651 -2.479 2.985 1.00 0.00 H new ATOM 313 N GLU A 23 2.922 -2.504 7.435 1.00 0.00 N ATOM 314 CA GLU A 23 3.989 -3.212 8.122 1.00 0.00 C ATOM 315 C GLU A 23 3.456 -4.508 8.737 1.00 0.00 C ATOM 316 O GLU A 23 4.047 -5.572 8.559 1.00 0.00 O ATOM 317 CB GLU A 23 4.638 -2.326 9.187 1.00 0.00 C ATOM 318 CG GLU A 23 5.850 -1.584 8.619 1.00 0.00 C ATOM 319 CD GLU A 23 6.850 -1.241 9.724 1.00 0.00 C ATOM 320 OE1 GLU A 23 7.279 -2.189 10.417 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.164 -0.038 9.852 1.00 0.00 O ATOM 0 H GLU A 23 2.610 -1.650 7.898 1.00 0.00 H new ATOM 0 HA GLU A 23 4.757 -3.468 7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.909 -1.607 9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.946 -2.937 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.336 -2.200 7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.522 -0.670 8.124 1.00 0.00 H new ATOM 328 N GLN A 24 2.346 -4.375 9.447 1.00 0.00 N ATOM 329 CA GLN A 24 1.727 -5.522 10.090 1.00 0.00 C ATOM 330 C GLN A 24 1.629 -6.692 9.108 1.00 0.00 C ATOM 331 O GLN A 24 1.884 -7.838 9.474 1.00 0.00 O ATOM 332 CB GLN A 24 0.351 -5.160 10.651 1.00 0.00 C ATOM 333 CG GLN A 24 0.481 -4.318 11.921 1.00 0.00 C ATOM 334 CD GLN A 24 0.422 -5.199 13.171 1.00 0.00 C ATOM 335 OE1 GLN A 24 -0.311 -6.171 13.243 1.00 0.00 O ATOM 336 NE2 GLN A 24 1.234 -4.805 14.149 1.00 0.00 N ATOM 0 H GLN A 24 1.859 -3.491 9.591 1.00 0.00 H new ATOM 0 HA GLN A 24 2.355 -5.827 10.927 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.218 -4.609 9.902 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.208 -6.070 10.869 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.422 -3.769 11.903 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.319 -3.578 11.955 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.822 -3.981 14.023 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.268 -5.327 15.025 1.00 0.00 H new ATOM 345 N ALA A 25 1.260 -6.361 7.879 1.00 0.00 N ATOM 346 CA ALA A 25 1.125 -7.370 6.842 1.00 0.00 C ATOM 347 C ALA A 25 2.486 -8.022 6.591 1.00 0.00 C ATOM 348 O ALA A 25 2.595 -9.247 6.567 1.00 0.00 O ATOM 349 CB ALA A 25 0.544 -6.729 5.579 1.00 0.00 C ATOM 0 H ALA A 25 1.051 -5.409 7.578 1.00 0.00 H new ATOM 0 HA ALA A 25 0.436 -8.154 7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.443 -7.485 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.435 -6.306 5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.210 -5.939 5.232 1.00 0.00 H new ATOM 355 N LEU A 26 3.488 -7.175 6.410 1.00 0.00 N ATOM 356 CA LEU A 26 4.837 -7.654 6.162 1.00 0.00 C ATOM 357 C LEU A 26 5.201 -8.706 7.211 1.00 0.00 C ATOM 358 O LEU A 26 5.934 -9.651 6.921 1.00 0.00 O ATOM 359 CB LEU A 26 5.819 -6.483 6.099 1.00 0.00 C ATOM 360 CG LEU A 26 7.280 -6.845 5.827 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.390 -7.863 4.689 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.115 -5.592 5.557 1.00 0.00 C ATOM 0 H LEU A 26 3.393 -6.160 6.430 1.00 0.00 H new ATOM 0 HA LEU A 26 4.895 -8.141 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.485 -5.796 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.770 -5.942 7.044 1.00 0.00 H new ATOM 0 HG LEU A 26 7.687 -7.316 6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.439 -8.103 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.850 -8.770 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.960 -7.441 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.149 -5.878 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.717 -5.070 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.074 -4.934 6.425 1.00 0.00 H new ATOM 374 N GLU A 27 4.673 -8.508 8.410 1.00 0.00 N ATOM 375 CA GLU A 27 4.933 -9.427 9.504 1.00 0.00 C ATOM 376 C GLU A 27 4.200 -10.750 9.272 1.00 0.00 C ATOM 377 O GLU A 27 4.654 -11.803 9.718 1.00 0.00 O ATOM 378 CB GLU A 27 4.537 -8.809 10.846 1.00 0.00 C ATOM 379 CG GLU A 27 5.760 -8.247 11.574 1.00 0.00 C ATOM 380 CD GLU A 27 6.053 -9.041 12.849 1.00 0.00 C ATOM 381 OE1 GLU A 27 6.774 -10.055 12.732 1.00 0.00 O ATOM 382 OE2 GLU A 27 5.548 -8.615 13.910 1.00 0.00 O ATOM 0 H GLU A 27 4.066 -7.724 8.648 1.00 0.00 H new ATOM 0 HA GLU A 27 6.004 -9.628 9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.809 -8.014 10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.053 -9.562 11.468 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.627 -8.279 10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.589 -7.200 11.825 1.00 0.00 H new ATOM 389 N ASP A 28 3.077 -10.653 8.575 1.00 0.00 N ATOM 390 CA ASP A 28 2.276 -11.828 8.278 1.00 0.00 C ATOM 391 C ASP A 28 2.958 -12.639 7.174 1.00 0.00 C ATOM 392 O ASP A 28 2.842 -13.863 7.136 1.00 0.00 O ATOM 393 CB ASP A 28 0.883 -11.435 7.785 1.00 0.00 C ATOM 394 CG ASP A 28 -0.033 -10.827 8.849 1.00 0.00 C ATOM 395 OD1 ASP A 28 0.110 -9.610 9.092 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.855 -11.594 9.395 1.00 0.00 O ATOM 0 H ASP A 28 2.703 -9.778 8.207 1.00 0.00 H new ATOM 0 HA ASP A 28 2.182 -12.412 9.193 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.991 -10.720 6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.398 -12.319 7.372 1.00 0.00 H new ATOM 401 N CYS A 29 3.654 -11.923 6.303 1.00 0.00 N ATOM 402 CA CYS A 29 4.354 -12.561 5.201 1.00 0.00 C ATOM 403 C CYS A 29 5.743 -12.975 5.690 1.00 0.00 C ATOM 404 O CYS A 29 6.239 -14.042 5.331 1.00 0.00 O ATOM 405 CB CYS A 29 4.429 -11.649 3.975 1.00 0.00 C ATOM 406 SG CYS A 29 5.708 -10.365 4.227 1.00 0.00 S ATOM 0 H CYS A 29 3.748 -10.908 6.338 1.00 0.00 H new ATOM 0 HA CYS A 29 3.804 -13.446 4.881 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.663 -12.237 3.088 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.461 -11.180 3.801 1.00 0.00 H new ATOM 0 HG CYS A 29 5.852 -10.140 5.499 1.00 0.00 H new ATOM 412 N HIS A 30 6.333 -12.109 6.501 1.00 0.00 N ATOM 413 CA HIS A 30 7.655 -12.371 7.042 1.00 0.00 C ATOM 414 C HIS A 30 7.670 -13.744 7.718 1.00 0.00 C ATOM 415 O HIS A 30 8.686 -14.437 7.700 1.00 0.00 O ATOM 416 CB HIS A 30 8.092 -11.244 7.980 1.00 0.00 C ATOM 417 CG HIS A 30 8.966 -11.700 9.124 1.00 0.00 C ATOM 418 ND1 HIS A 30 8.670 -12.440 10.231 1.00 0.00 N flip ATOM 419 CD2 HIS A 30 10.313 -11.395 9.205 1.00 0.00 C flip ATOM 420 CE1 HIS A 30 9.778 -12.581 10.949 1.00 0.00 C flip ATOM 421 NE2 HIS A 30 10.797 -11.933 10.315 1.00 0.00 N flip ATOM 0 H HIS A 30 5.919 -11.225 6.796 1.00 0.00 H new ATOM 0 HA HIS A 30 8.385 -12.395 6.233 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.630 -10.493 7.402 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.204 -10.758 8.386 1.00 0.00 H new ATOM 0 HD2 HIS A 30 10.874 -10.817 8.486 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.859 -13.120 11.881 1.00 0.00 H new ATOM 0 HE2 HIS A 30 11.762 -11.873 10.639 1.00 0.00 H new ATOM 429 N GLY A 31 6.532 -14.094 8.298 1.00 0.00 N ATOM 430 CA GLY A 31 6.401 -15.371 8.979 1.00 0.00 C ATOM 431 C GLY A 31 5.566 -16.351 8.151 1.00 0.00 C ATOM 432 O GLY A 31 4.825 -17.162 8.704 1.00 0.00 O ATOM 0 H GLY A 31 5.692 -13.516 8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.389 -15.793 9.161 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.934 -15.222 9.952 1.00 0.00 H new ATOM 436 N HIS A 32 5.715 -16.243 6.839 1.00 0.00 N ATOM 437 CA HIS A 32 4.984 -17.109 5.929 1.00 0.00 C ATOM 438 C HIS A 32 5.690 -17.141 4.572 1.00 0.00 C ATOM 439 O HIS A 32 6.231 -18.171 4.173 1.00 0.00 O ATOM 440 CB HIS A 32 3.520 -16.677 5.826 1.00 0.00 C ATOM 441 CG HIS A 32 2.618 -17.316 6.855 1.00 0.00 C ATOM 442 ND1 HIS A 32 2.270 -18.655 6.819 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.996 -16.785 7.947 1.00 0.00 C ATOM 444 CE1 HIS A 32 1.474 -18.908 7.848 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.306 -17.748 8.545 1.00 0.00 N ATOM 0 H HIS A 32 6.331 -15.569 6.384 1.00 0.00 H new ATOM 0 HA HIS A 32 4.975 -18.127 6.319 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.463 -15.594 5.931 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.149 -16.921 4.831 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.055 -15.756 8.270 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.036 -19.864 8.092 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.742 -17.638 9.388 1.00 0.00 H new ATOM 453 N THR A 33 5.662 -15.999 3.900 1.00 0.00 N ATOM 454 CA THR A 33 6.293 -15.883 2.596 1.00 0.00 C ATOM 455 C THR A 33 7.808 -16.058 2.719 1.00 0.00 C ATOM 456 O THR A 33 8.384 -15.792 3.773 1.00 0.00 O ATOM 457 CB THR A 33 5.883 -14.539 1.991 1.00 0.00 C ATOM 458 OG1 THR A 33 4.558 -14.761 1.516 1.00 0.00 O ATOM 459 CG2 THR A 33 6.679 -14.198 0.729 1.00 0.00 C ATOM 0 H THR A 33 5.212 -15.146 4.234 1.00 0.00 H new ATOM 0 HA THR A 33 5.960 -16.674 1.923 1.00 0.00 H new ATOM 0 HB THR A 33 6.021 -13.751 2.731 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.923 -14.265 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.349 -13.235 0.340 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.741 -14.147 0.971 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.515 -14.969 -0.024 1.00 0.00 H new ATOM 467 N LYS A 34 8.410 -16.505 1.626 1.00 0.00 N ATOM 468 CA LYS A 34 9.847 -16.718 1.598 1.00 0.00 C ATOM 469 C LYS A 34 10.557 -15.439 2.046 1.00 0.00 C ATOM 470 O LYS A 34 10.233 -14.349 1.578 1.00 0.00 O ATOM 471 CB LYS A 34 10.288 -17.216 0.220 1.00 0.00 C ATOM 472 CG LYS A 34 9.413 -18.381 -0.248 1.00 0.00 C ATOM 473 CD LYS A 34 10.268 -19.592 -0.625 1.00 0.00 C ATOM 474 CE LYS A 34 10.305 -19.785 -2.143 1.00 0.00 C ATOM 475 NZ LYS A 34 11.619 -20.319 -2.565 1.00 0.00 N ATOM 0 H LYS A 34 7.929 -16.725 0.754 1.00 0.00 H new ATOM 0 HA LYS A 34 10.130 -17.502 2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.230 -16.401 -0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.330 -17.533 0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.715 -18.656 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.817 -18.071 -1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.282 -19.458 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.866 -20.487 -0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.513 -20.469 -2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.115 -18.834 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.628 -20.444 -3.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.369 -19.653 -2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.785 -21.236 -2.104 1.00 0.00 H new ATOM 489 N LYS A 35 11.513 -15.615 2.947 1.00 0.00 N ATOM 490 CA LYS A 35 12.272 -14.489 3.463 1.00 0.00 C ATOM 491 C LYS A 35 12.694 -13.588 2.300 1.00 0.00 C ATOM 492 O LYS A 35 12.729 -12.366 2.438 1.00 0.00 O ATOM 493 CB LYS A 35 13.442 -14.978 4.318 1.00 0.00 C ATOM 494 CG LYS A 35 14.499 -15.672 3.456 1.00 0.00 C ATOM 495 CD LYS A 35 14.052 -17.085 3.073 1.00 0.00 C ATOM 496 CE LYS A 35 15.252 -17.956 2.698 1.00 0.00 C ATOM 497 NZ LYS A 35 14.857 -18.986 1.711 1.00 0.00 N ATOM 0 H LYS A 35 11.779 -16.521 3.333 1.00 0.00 H new ATOM 0 HA LYS A 35 11.653 -13.885 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.892 -14.135 4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.078 -15.668 5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.680 -15.087 2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.443 -15.720 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.515 -17.539 3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.357 -17.036 2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.046 -17.333 2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.654 -18.435 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.683 -19.568 1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.115 -19.591 2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.494 -18.524 0.853 1.00 0.00 H new ATOM 511 N GLN A 36 13.003 -14.226 1.181 1.00 0.00 N ATOM 512 CA GLN A 36 13.421 -13.498 -0.005 1.00 0.00 C ATOM 513 C GLN A 36 12.328 -12.520 -0.440 1.00 0.00 C ATOM 514 O GLN A 36 12.490 -11.307 -0.315 1.00 0.00 O ATOM 515 CB GLN A 36 13.781 -14.459 -1.140 1.00 0.00 C ATOM 516 CG GLN A 36 14.754 -15.537 -0.658 1.00 0.00 C ATOM 517 CD GLN A 36 16.134 -15.353 -1.293 1.00 0.00 C ATOM 518 OE1 GLN A 36 16.665 -14.258 -1.380 1.00 0.00 O ATOM 519 NE2 GLN A 36 16.683 -16.483 -1.731 1.00 0.00 N ATOM 0 H GLN A 36 12.972 -15.240 1.070 1.00 0.00 H new ATOM 0 HA GLN A 36 14.316 -12.926 0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.875 -14.928 -1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.228 -13.903 -1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.841 -15.495 0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 36 14.363 -16.523 -0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.184 -17.366 -1.627 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.603 -16.466 -2.171 1.00 0.00 H new ATOM 528 N VAL A 37 11.239 -13.084 -0.941 1.00 0.00 N ATOM 529 CA VAL A 37 10.119 -12.277 -1.395 1.00 0.00 C ATOM 530 C VAL A 37 9.774 -11.241 -0.322 1.00 0.00 C ATOM 531 O VAL A 37 9.274 -10.162 -0.635 1.00 0.00 O ATOM 532 CB VAL A 37 8.937 -13.178 -1.758 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.834 -12.381 -2.456 1.00 0.00 C ATOM 534 CG2 VAL A 37 9.392 -14.357 -2.621 1.00 0.00 C ATOM 0 H VAL A 37 11.108 -14.090 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 37 10.384 -11.731 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 37 8.525 -13.579 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.006 -13.045 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.480 -11.591 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.229 -11.937 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.533 -14.982 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.842 -13.983 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.126 -14.947 -2.073 1.00 0.00 H new ATOM 544 N CYS A 38 10.055 -11.607 0.920 1.00 0.00 N ATOM 545 CA CYS A 38 9.781 -10.724 2.040 1.00 0.00 C ATOM 546 C CYS A 38 10.775 -9.561 1.990 1.00 0.00 C ATOM 547 O CYS A 38 10.384 -8.400 2.101 1.00 0.00 O ATOM 548 CB CYS A 38 9.841 -11.468 3.375 1.00 0.00 C ATOM 549 SG CYS A 38 9.863 -10.271 4.759 1.00 0.00 S ATOM 0 H CYS A 38 10.470 -12.503 1.175 1.00 0.00 H new ATOM 0 HA CYS A 38 8.765 -10.337 1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.981 -12.131 3.470 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.732 -12.095 3.411 1.00 0.00 H new ATOM 0 HG CYS A 38 10.124 -10.896 5.869 1.00 0.00 H new ATOM 555 N ASP A 39 12.041 -9.914 1.822 1.00 0.00 N ATOM 556 CA ASP A 39 13.094 -8.915 1.756 1.00 0.00 C ATOM 557 C ASP A 39 12.846 -7.998 0.556 1.00 0.00 C ATOM 558 O ASP A 39 13.295 -6.853 0.542 1.00 0.00 O ATOM 559 CB ASP A 39 14.465 -9.570 1.574 1.00 0.00 C ATOM 560 CG ASP A 39 15.648 -8.745 2.083 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.391 -7.619 2.562 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.783 -9.258 1.981 1.00 0.00 O ATOM 0 H ASP A 39 12.361 -10.878 1.730 1.00 0.00 H new ATOM 0 HA ASP A 39 13.084 -8.353 2.690 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.463 -10.531 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.615 -9.776 0.514 1.00 0.00 H new ATOM 567 N ASP A 40 12.131 -8.536 -0.421 1.00 0.00 N ATOM 568 CA ASP A 40 11.818 -7.780 -1.622 1.00 0.00 C ATOM 569 C ASP A 40 10.701 -6.782 -1.315 1.00 0.00 C ATOM 570 O ASP A 40 10.811 -5.601 -1.640 1.00 0.00 O ATOM 571 CB ASP A 40 11.333 -8.702 -2.743 1.00 0.00 C ATOM 572 CG ASP A 40 11.268 -8.057 -4.128 1.00 0.00 C ATOM 573 OD1 ASP A 40 10.231 -7.418 -4.408 1.00 0.00 O ATOM 574 OD2 ASP A 40 12.256 -8.219 -4.877 1.00 0.00 O ATOM 0 H ASP A 40 11.760 -9.486 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 40 12.725 -7.268 -1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.994 -9.567 -2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.341 -9.073 -2.484 1.00 0.00 H new ATOM 579 N ILE A 41 9.649 -7.293 -0.691 1.00 0.00 N ATOM 580 CA ILE A 41 8.513 -6.460 -0.335 1.00 0.00 C ATOM 581 C ILE A 41 8.984 -5.319 0.568 1.00 0.00 C ATOM 582 O ILE A 41 8.764 -4.148 0.261 1.00 0.00 O ATOM 583 CB ILE A 41 7.398 -7.310 0.279 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.829 -8.292 -0.747 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.310 -6.426 0.892 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.925 -9.327 -0.073 1.00 0.00 C ATOM 0 H ILE A 41 9.560 -8.273 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 41 8.082 -6.003 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 41 7.825 -7.902 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.263 -7.747 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.645 -8.798 -1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.530 -7.054 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.745 -5.803 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.879 -5.790 0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.534 -10.013 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.500 -9.887 0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.097 -8.820 0.421 1.00 0.00 H new ATOM 598 N SER A 42 9.624 -5.700 1.664 1.00 0.00 N ATOM 599 CA SER A 42 10.128 -4.722 2.614 1.00 0.00 C ATOM 600 C SER A 42 10.838 -3.589 1.871 1.00 0.00 C ATOM 601 O SER A 42 10.471 -2.424 2.012 1.00 0.00 O ATOM 602 CB SER A 42 11.077 -5.373 3.622 1.00 0.00 C ATOM 603 OG SER A 42 12.083 -6.154 2.981 1.00 0.00 O ATOM 0 H SER A 42 9.805 -6.672 1.915 1.00 0.00 H new ATOM 0 HA SER A 42 9.282 -4.312 3.165 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.549 -4.599 4.227 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.506 -6.005 4.302 1.00 0.00 H new ATOM 0 HG SER A 42 11.671 -6.938 2.562 1.00 0.00 H new ATOM 609 N ARG A 43 11.843 -3.971 1.095 1.00 0.00 N ATOM 610 CA ARG A 43 12.608 -3.001 0.330 1.00 0.00 C ATOM 611 C ARG A 43 11.685 -1.911 -0.219 1.00 0.00 C ATOM 612 O ARG A 43 12.072 -0.746 -0.295 1.00 0.00 O ATOM 613 CB ARG A 43 13.341 -3.672 -0.833 1.00 0.00 C ATOM 614 CG ARG A 43 14.857 -3.522 -0.685 1.00 0.00 C ATOM 615 CD ARG A 43 15.490 -3.047 -1.994 1.00 0.00 C ATOM 616 NE ARG A 43 16.009 -1.670 -1.835 1.00 0.00 N ATOM 617 CZ ARG A 43 17.028 -1.339 -1.031 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.645 -2.284 -0.308 1.00 0.00 N ATOM 619 NH2 ARG A 43 17.431 -0.064 -0.950 1.00 0.00 N ATOM 0 H ARG A 43 12.145 -4.939 0.980 1.00 0.00 H new ATOM 0 HA ARG A 43 13.343 -2.556 1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.079 -4.729 -0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.018 -3.229 -1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.080 -2.811 0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.294 -4.476 -0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.299 -3.719 -2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.752 -3.076 -2.796 1.00 0.00 H new ATOM 0 HE ARG A 43 15.563 -0.926 -2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.339 -3.255 -0.370 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.421 -2.032 0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.962 0.655 -1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.207 0.188 -0.338 1.00 0.00 H new ATOM 633 N ARG A 44 10.483 -2.328 -0.587 1.00 0.00 N ATOM 634 CA ARG A 44 9.502 -1.402 -1.127 1.00 0.00 C ATOM 635 C ARG A 44 8.972 -0.486 -0.021 1.00 0.00 C ATOM 636 O ARG A 44 9.053 0.736 -0.131 1.00 0.00 O ATOM 637 CB ARG A 44 8.330 -2.150 -1.765 1.00 0.00 C ATOM 638 CG ARG A 44 8.827 -3.213 -2.747 1.00 0.00 C ATOM 639 CD ARG A 44 9.540 -2.568 -3.937 1.00 0.00 C ATOM 640 NE ARG A 44 10.798 -3.291 -4.227 1.00 0.00 N ATOM 641 CZ ARG A 44 11.730 -2.863 -5.089 1.00 0.00 C ATOM 642 NH1 ARG A 44 11.550 -1.713 -5.753 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.841 -3.585 -5.289 1.00 0.00 N ATOM 0 H ARG A 44 10.166 -3.295 -0.522 1.00 0.00 H new ATOM 0 HA ARG A 44 9.997 -0.805 -1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.728 -2.621 -0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.683 -1.444 -2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.507 -3.895 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.985 -3.808 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.891 -2.585 -4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.754 -1.522 -3.719 1.00 0.00 H new ATOM 0 HE ARG A 44 10.966 -4.171 -3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.704 -1.164 -5.602 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.259 -1.387 -6.409 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.978 -4.461 -4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.550 -3.258 -5.945 1.00 0.00 H new ATOM 657 N LEU A 45 8.442 -1.113 1.019 1.00 0.00 N ATOM 658 CA LEU A 45 7.899 -0.370 2.143 1.00 0.00 C ATOM 659 C LEU A 45 8.901 0.705 2.570 1.00 0.00 C ATOM 660 O LEU A 45 8.538 1.870 2.726 1.00 0.00 O ATOM 661 CB LEU A 45 7.501 -1.322 3.273 1.00 0.00 C ATOM 662 CG LEU A 45 6.706 -2.561 2.856 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.127 -3.277 4.078 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.623 -2.201 1.837 1.00 0.00 C ATOM 0 H LEU A 45 8.377 -2.127 1.107 1.00 0.00 H new ATOM 0 HA LEU A 45 6.983 0.144 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.408 -1.650 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.912 -0.764 4.001 1.00 0.00 H new ATOM 0 HG LEU A 45 7.389 -3.256 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.567 -4.154 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.939 -3.588 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.463 -2.600 4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.073 -3.100 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.936 -1.477 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.087 -1.769 0.950 1.00 0.00 H new ATOM 676 N ALA A 46 10.142 0.276 2.747 1.00 0.00 N ATOM 677 CA ALA A 46 11.198 1.187 3.153 1.00 0.00 C ATOM 678 C ALA A 46 11.115 2.464 2.313 1.00 0.00 C ATOM 679 O ALA A 46 11.398 3.554 2.806 1.00 0.00 O ATOM 680 CB ALA A 46 12.554 0.489 3.019 1.00 0.00 C ATOM 0 H ALA A 46 10.440 -0.691 2.617 1.00 0.00 H new ATOM 0 HA ALA A 46 11.079 1.471 4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.347 1.172 3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.573 -0.395 3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.710 0.192 1.982 1.00 0.00 H new ATOM 686 N LEU A 47 10.725 2.285 1.060 1.00 0.00 N ATOM 687 CA LEU A 47 10.601 3.409 0.147 1.00 0.00 C ATOM 688 C LEU A 47 9.247 4.088 0.363 1.00 0.00 C ATOM 689 O LEU A 47 9.187 5.273 0.685 1.00 0.00 O ATOM 690 CB LEU A 47 10.840 2.958 -1.295 1.00 0.00 C ATOM 691 CG LEU A 47 11.156 4.066 -2.301 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.396 3.488 -3.697 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.059 5.133 -2.304 1.00 0.00 C ATOM 0 H LEU A 47 10.491 1.379 0.655 1.00 0.00 H new ATOM 0 HA LEU A 47 11.369 4.154 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.664 2.245 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.954 2.424 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 47 12.080 4.554 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.618 4.297 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.237 2.796 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.503 2.959 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.308 5.909 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.107 4.676 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.979 5.575 -1.311 1.00 0.00 H new ATOM 705 N LEU A 48 8.193 3.307 0.175 1.00 0.00 N ATOM 706 CA LEU A 48 6.843 3.817 0.345 1.00 0.00 C ATOM 707 C LEU A 48 6.804 4.751 1.556 1.00 0.00 C ATOM 708 O LEU A 48 6.142 5.787 1.525 1.00 0.00 O ATOM 709 CB LEU A 48 5.840 2.665 0.425 1.00 0.00 C ATOM 710 CG LEU A 48 4.498 2.988 1.085 1.00 0.00 C ATOM 711 CD1 LEU A 48 3.852 4.215 0.440 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.570 1.772 1.063 1.00 0.00 C ATOM 0 H LEU A 48 8.247 2.324 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 48 6.547 4.406 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.648 2.306 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.303 1.844 0.972 1.00 0.00 H new ATOM 0 HG LEU A 48 4.681 3.234 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.899 4.423 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.512 5.075 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.683 4.023 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.623 2.028 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.389 1.471 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.036 0.949 1.604 1.00 0.00 H new ATOM 724 N ARG A 49 7.523 4.351 2.595 1.00 0.00 N ATOM 725 CA ARG A 49 7.579 5.139 3.815 1.00 0.00 C ATOM 726 C ARG A 49 8.411 6.404 3.591 1.00 0.00 C ATOM 727 O ARG A 49 7.894 7.516 3.686 1.00 0.00 O ATOM 728 CB ARG A 49 8.187 4.333 4.964 1.00 0.00 C ATOM 729 CG ARG A 49 8.472 5.229 6.171 1.00 0.00 C ATOM 730 CD ARG A 49 9.163 4.442 7.287 1.00 0.00 C ATOM 731 NE ARG A 49 10.193 5.283 7.936 1.00 0.00 N ATOM 732 CZ ARG A 49 10.940 4.888 8.976 1.00 0.00 C ATOM 733 NH1 ARG A 49 10.775 3.662 9.491 1.00 0.00 N ATOM 734 NH2 ARG A 49 11.851 5.719 9.501 1.00 0.00 N ATOM 0 H ARG A 49 8.072 3.491 2.617 1.00 0.00 H new ATOM 0 HA ARG A 49 6.558 5.413 4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.505 3.533 5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.111 3.859 4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.102 6.065 5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.539 5.652 6.543 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.428 4.119 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.621 3.542 6.878 1.00 0.00 H new ATOM 0 HE ARG A 49 10.344 6.223 7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.081 3.030 9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.343 3.361 10.283 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.976 6.652 9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.419 5.418 10.293 1.00 0.00 H new ATOM 748 N GLU A 50 9.685 6.191 3.299 1.00 0.00 N ATOM 749 CA GLU A 50 10.594 7.300 3.061 1.00 0.00 C ATOM 750 C GLU A 50 9.925 8.354 2.176 1.00 0.00 C ATOM 751 O GLU A 50 9.963 9.544 2.485 1.00 0.00 O ATOM 752 CB GLU A 50 11.904 6.812 2.439 1.00 0.00 C ATOM 753 CG GLU A 50 12.763 6.081 3.472 1.00 0.00 C ATOM 754 CD GLU A 50 14.010 5.480 2.821 1.00 0.00 C ATOM 755 OE1 GLU A 50 13.828 4.687 1.872 1.00 0.00 O ATOM 756 OE2 GLU A 50 15.117 5.826 3.288 1.00 0.00 O ATOM 0 H GLU A 50 10.110 5.267 3.222 1.00 0.00 H new ATOM 0 HA GLU A 50 10.835 7.759 4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.688 6.146 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.457 7.660 2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.058 6.773 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.178 5.291 3.943 1.00 0.00 H new ATOM 763 N GLN A 51 9.329 7.878 1.093 1.00 0.00 N ATOM 764 CA GLN A 51 8.653 8.765 0.161 1.00 0.00 C ATOM 765 C GLN A 51 7.464 9.445 0.842 1.00 0.00 C ATOM 766 O GLN A 51 7.185 10.616 0.590 1.00 0.00 O ATOM 767 CB GLN A 51 8.207 8.007 -1.092 1.00 0.00 C ATOM 768 CG GLN A 51 9.079 8.374 -2.294 1.00 0.00 C ATOM 769 CD GLN A 51 8.231 8.534 -3.558 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.725 9.601 -3.865 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.105 7.418 -4.270 1.00 0.00 N ATOM 0 H GLN A 51 9.300 6.890 0.840 1.00 0.00 H new ATOM 0 HA GLN A 51 9.357 9.536 -0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.264 6.934 -0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.165 8.239 -1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.613 9.302 -2.090 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.831 7.601 -2.452 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.555 6.559 -3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.558 7.421 -5.131 1.00 0.00 H new ATOM 780 N TRP A 52 6.794 8.681 1.693 1.00 0.00 N ATOM 781 CA TRP A 52 5.641 9.195 2.413 1.00 0.00 C ATOM 782 C TRP A 52 6.128 10.290 3.364 1.00 0.00 C ATOM 783 O TRP A 52 5.784 11.460 3.197 1.00 0.00 O ATOM 784 CB TRP A 52 4.895 8.068 3.130 1.00 0.00 C ATOM 785 CG TRP A 52 3.546 8.490 3.717 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.279 9.549 4.492 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.284 7.812 3.542 1.00 0.00 C ATOM 788 NE1 TRP A 52 1.942 9.604 4.829 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.317 8.515 4.233 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.969 6.645 2.825 1.00 0.00 C ATOM 791 CZ2 TRP A 52 -0.028 8.129 4.274 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.620 6.273 2.876 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.365 6.969 3.567 1.00 0.00 C ATOM 0 H TRP A 52 7.028 7.710 1.900 1.00 0.00 H new ATOM 0 HA TRP A 52 4.917 9.629 1.723 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.734 7.249 2.429 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.524 7.682 3.932 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.017 10.269 4.813 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.494 10.314 5.409 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.709 6.080 2.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.766 8.696 4.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.324 5.383 2.341 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.386 6.616 3.558 1.00 0.00 H new ATOM 804 N ALA A 53 6.920 9.873 4.340 1.00 0.00 N ATOM 805 CA ALA A 53 7.457 10.804 5.318 1.00 0.00 C ATOM 806 C ALA A 53 8.202 11.926 4.592 1.00 0.00 C ATOM 807 O ALA A 53 7.850 13.097 4.724 1.00 0.00 O ATOM 808 CB ALA A 53 8.354 10.050 6.302 1.00 0.00 C ATOM 0 H ALA A 53 7.203 8.902 4.475 1.00 0.00 H new ATOM 0 HA ALA A 53 6.653 11.261 5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.757 10.748 7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.771 9.284 6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.174 9.580 5.760 1.00 0.00 H new ATOM 814 N GLY A 54 9.218 11.528 3.840 1.00 0.00 N ATOM 815 CA GLY A 54 10.016 12.486 3.093 1.00 0.00 C ATOM 816 C GLY A 54 9.144 13.618 2.546 1.00 0.00 C ATOM 817 O GLY A 54 9.582 14.765 2.474 1.00 0.00 O ATOM 0 H GLY A 54 9.507 10.556 3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.792 12.899 3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.521 11.981 2.270 1.00 0.00 H new ATOM 821 N GLY A 55 7.924 13.256 2.175 1.00 0.00 N ATOM 822 CA GLY A 55 6.987 14.226 1.637 1.00 0.00 C ATOM 823 C GLY A 55 7.054 14.265 0.109 1.00 0.00 C ATOM 824 O GLY A 55 6.626 15.238 -0.511 1.00 0.00 O ATOM 0 H GLY A 55 7.564 12.304 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.975 13.974 1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.210 15.214 2.040 1.00 0.00 H new ATOM 828 N LYS A 56 7.594 13.194 -0.455 1.00 0.00 N ATOM 829 CA LYS A 56 7.722 13.093 -1.899 1.00 0.00 C ATOM 830 C LYS A 56 6.407 12.581 -2.489 1.00 0.00 C ATOM 831 O LYS A 56 6.160 12.728 -3.685 1.00 0.00 O ATOM 832 CB LYS A 56 8.937 12.240 -2.270 1.00 0.00 C ATOM 833 CG LYS A 56 10.235 12.898 -1.796 1.00 0.00 C ATOM 834 CD LYS A 56 10.512 12.568 -0.328 1.00 0.00 C ATOM 835 CE LYS A 56 11.903 13.049 0.088 1.00 0.00 C ATOM 836 NZ LYS A 56 12.900 11.970 -0.091 1.00 0.00 N ATOM 0 H LYS A 56 7.948 12.389 0.062 1.00 0.00 H new ATOM 0 HA LYS A 56 7.906 14.075 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.842 11.251 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.970 12.099 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.066 12.556 -2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.167 13.978 -1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.757 13.037 0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.433 11.492 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.187 13.917 -0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.887 13.368 1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.839 12.314 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.636 11.153 0.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.927 11.684 -1.091 1.00 0.00 H new ATOM 850 N LEU A 57 5.597 11.989 -1.623 1.00 0.00 N ATOM 851 CA LEU A 57 4.314 11.454 -2.044 1.00 0.00 C ATOM 852 C LEU A 57 3.330 12.607 -2.253 1.00 0.00 C ATOM 853 O LEU A 57 3.688 13.772 -2.087 1.00 0.00 O ATOM 854 CB LEU A 57 3.822 10.398 -1.051 1.00 0.00 C ATOM 855 CG LEU A 57 4.573 9.065 -1.063 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.763 7.973 -0.363 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.960 8.667 -2.489 1.00 0.00 C ATOM 0 H LEU A 57 5.805 11.868 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 57 4.411 10.939 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.881 10.817 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.769 10.201 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 57 5.499 9.189 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.320 7.036 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.581 8.262 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.810 7.842 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.493 7.716 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.060 8.567 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.604 9.434 -2.919 1.00 0.00 H new ATOM 869 N SER A 58 2.108 12.242 -2.615 1.00 0.00 N ATOM 870 CA SER A 58 1.070 13.231 -2.848 1.00 0.00 C ATOM 871 C SER A 58 -0.039 13.081 -1.805 1.00 0.00 C ATOM 872 O SER A 58 -0.294 11.981 -1.318 1.00 0.00 O ATOM 873 CB SER A 58 0.493 13.100 -4.259 1.00 0.00 C ATOM 874 OG SER A 58 1.426 12.519 -5.166 1.00 0.00 O ATOM 0 H SER A 58 1.814 11.275 -2.752 1.00 0.00 H new ATOM 0 HA SER A 58 1.514 14.222 -2.756 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.409 12.489 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.199 14.084 -4.623 1.00 0.00 H new ATOM 0 HG SER A 58 1.019 12.451 -6.055 1.00 0.00 H new ATOM 880 N ILE A 59 -0.669 14.204 -1.493 1.00 0.00 N ATOM 881 CA ILE A 59 -1.745 14.212 -0.517 1.00 0.00 C ATOM 882 C ILE A 59 -2.836 13.234 -0.958 1.00 0.00 C ATOM 883 O ILE A 59 -3.329 12.444 -0.154 1.00 0.00 O ATOM 884 CB ILE A 59 -2.253 15.638 -0.290 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.304 16.419 0.621 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.686 15.631 0.246 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.167 17.870 0.154 1.00 0.00 C ATOM 0 H ILE A 59 -0.455 15.115 -1.899 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.382 13.870 0.452 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.272 16.151 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.676 16.396 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.324 15.941 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.022 16.657 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.341 15.137 -0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.717 15.094 1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.487 18.403 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.772 17.890 -0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.145 18.352 0.172 1.00 0.00 H new ATOM 899 N PRO A 60 -3.190 13.320 -2.268 1.00 0.00 N ATOM 900 CA PRO A 60 -4.213 12.453 -2.826 1.00 0.00 C ATOM 901 C PRO A 60 -3.677 11.034 -3.029 1.00 0.00 C ATOM 902 O PRO A 60 -4.431 10.125 -3.373 1.00 0.00 O ATOM 903 CB PRO A 60 -4.630 13.121 -4.126 1.00 0.00 C ATOM 904 CG PRO A 60 -3.507 14.084 -4.479 1.00 0.00 C ATOM 905 CD PRO A 60 -2.627 14.243 -3.250 1.00 0.00 C ATOM 0 HA PRO A 60 -5.070 12.333 -2.163 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.774 12.383 -4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.575 13.650 -4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.926 13.702 -5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.913 15.048 -4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.588 13.999 -3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.642 15.269 -2.883 1.00 0.00 H new ATOM 913 N VAL A 61 -2.379 10.888 -2.806 1.00 0.00 N ATOM 914 CA VAL A 61 -1.734 9.595 -2.960 1.00 0.00 C ATOM 915 C VAL A 61 -1.795 8.838 -1.632 1.00 0.00 C ATOM 916 O VAL A 61 -1.624 7.621 -1.599 1.00 0.00 O ATOM 917 CB VAL A 61 -0.306 9.781 -3.477 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.634 8.731 -2.881 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.268 9.746 -5.006 1.00 0.00 C ATOM 0 H VAL A 61 -1.757 11.644 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.258 8.993 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 61 0.042 10.763 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.642 8.886 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.641 8.823 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.289 7.735 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.758 9.880 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.644 8.785 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.891 10.547 -5.404 1.00 0.00 H new ATOM 929 N LYS A 62 -2.040 9.591 -0.569 1.00 0.00 N ATOM 930 CA LYS A 62 -2.126 9.006 0.758 1.00 0.00 C ATOM 931 C LYS A 62 -3.589 8.701 1.083 1.00 0.00 C ATOM 932 O LYS A 62 -3.904 7.629 1.598 1.00 0.00 O ATOM 933 CB LYS A 62 -1.443 9.910 1.787 1.00 0.00 C ATOM 934 CG LYS A 62 -0.618 10.999 1.098 1.00 0.00 C ATOM 935 CD LYS A 62 0.287 11.718 2.101 1.00 0.00 C ATOM 936 CE LYS A 62 1.717 11.829 1.568 1.00 0.00 C ATOM 937 NZ LYS A 62 2.634 10.984 2.364 1.00 0.00 N ATOM 0 H LYS A 62 -2.182 10.601 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.588 8.059 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.195 10.370 2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.798 9.312 2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.012 10.556 0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.284 11.719 0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.108 12.714 2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.289 11.177 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.746 11.523 0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.046 12.868 1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.583 11.409 2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.283 10.915 3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.682 10.033 1.945 1.00 0.00 H new ATOM 951 N LYS A 63 -4.445 9.662 0.768 1.00 0.00 N ATOM 952 CA LYS A 63 -5.868 9.509 1.019 1.00 0.00 C ATOM 953 C LYS A 63 -6.376 8.255 0.306 1.00 0.00 C ATOM 954 O LYS A 63 -7.262 7.566 0.809 1.00 0.00 O ATOM 955 CB LYS A 63 -6.620 10.784 0.631 1.00 0.00 C ATOM 956 CG LYS A 63 -6.999 11.596 1.872 1.00 0.00 C ATOM 957 CD LYS A 63 -6.089 12.815 2.028 1.00 0.00 C ATOM 958 CE LYS A 63 -6.070 13.653 0.748 1.00 0.00 C ATOM 959 NZ LYS A 63 -7.404 13.652 0.108 1.00 0.00 N ATOM 0 H LYS A 63 -4.180 10.550 0.341 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.054 9.368 2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.999 11.390 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.520 10.524 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.037 11.920 1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.926 10.967 2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.434 13.426 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.077 12.489 2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.772 14.676 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.328 13.254 0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.504 14.499 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.506 12.801 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.141 13.655 0.842 1.00 0.00 H new ATOM 973 N ARG A 64 -5.792 7.996 -0.855 1.00 0.00 N ATOM 974 CA ARG A 64 -6.175 6.836 -1.642 1.00 0.00 C ATOM 975 C ARG A 64 -5.528 5.571 -1.073 1.00 0.00 C ATOM 976 O ARG A 64 -6.129 4.498 -1.096 1.00 0.00 O ATOM 977 CB ARG A 64 -5.755 7.000 -3.105 1.00 0.00 C ATOM 978 CG ARG A 64 -6.979 7.083 -4.020 1.00 0.00 C ATOM 979 CD ARG A 64 -6.690 7.955 -5.243 1.00 0.00 C ATOM 980 NE ARG A 64 -7.951 8.260 -5.956 1.00 0.00 N ATOM 981 CZ ARG A 64 -8.016 8.633 -7.241 1.00 0.00 C ATOM 982 NH1 ARG A 64 -6.893 8.749 -7.963 1.00 0.00 N ATOM 983 NH2 ARG A 64 -9.204 8.890 -7.805 1.00 0.00 N ATOM 0 H ARG A 64 -5.057 8.569 -1.269 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.260 6.747 -1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.152 7.901 -3.215 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.129 6.159 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.265 6.082 -4.342 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.824 7.494 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.204 8.881 -4.934 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.000 7.441 -5.912 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.825 8.181 -5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.988 8.553 -7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.943 9.033 -8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.059 8.802 -7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.253 9.174 -8.783 1.00 0.00 H new ATOM 997 N MET A 65 -4.312 5.740 -0.575 1.00 0.00 N ATOM 998 CA MET A 65 -3.578 4.625 0.000 1.00 0.00 C ATOM 999 C MET A 65 -4.290 4.080 1.239 1.00 0.00 C ATOM 1000 O MET A 65 -4.573 2.886 1.322 1.00 0.00 O ATOM 1001 CB MET A 65 -2.169 5.084 0.381 1.00 0.00 C ATOM 1002 CG MET A 65 -1.120 4.457 -0.540 1.00 0.00 C ATOM 1003 SD MET A 65 0.131 3.633 0.431 1.00 0.00 S ATOM 1004 CE MET A 65 -0.718 2.107 0.799 1.00 0.00 C ATOM 0 H MET A 65 -3.817 6.631 -0.558 1.00 0.00 H new ATOM 0 HA MET A 65 -3.522 3.829 -0.743 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.108 6.171 0.321 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.961 4.810 1.415 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.596 3.745 -1.215 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.662 5.227 -1.160 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.880 2.031 1.874 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.679 2.092 0.285 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.114 1.264 0.462 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.560 4.982 2.172 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.233 4.606 3.403 1.00 0.00 C ATOM 1016 C ALA A 66 -6.471 3.771 3.068 1.00 0.00 C ATOM 1017 O ALA A 66 -6.750 2.774 3.733 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.578 5.865 4.201 1.00 0.00 C ATOM 0 H ALA A 66 -4.325 5.972 2.100 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.581 3.994 4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.083 5.583 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.663 6.407 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.234 6.503 3.609 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.180 4.209 2.038 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.381 3.514 1.606 1.00 0.00 C ATOM 1026 C LEU A 67 -8.061 2.032 1.399 1.00 0.00 C ATOM 1027 O LEU A 67 -8.540 1.179 2.144 1.00 0.00 O ATOM 1028 CB LEU A 67 -8.979 4.193 0.373 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.708 5.515 0.622 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.257 6.093 -0.684 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -10.801 5.347 1.679 1.00 0.00 C ATOM 0 H LEU A 67 -6.946 5.037 1.490 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.151 3.569 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.177 4.373 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.676 3.499 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.988 6.234 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.770 7.032 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.435 6.273 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.958 5.386 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.304 6.301 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.525 4.607 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.354 5.013 2.615 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.252 1.771 0.382 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.863 0.408 0.066 1.00 0.00 C ATOM 1045 C LEU A 68 -6.490 -0.323 1.357 1.00 0.00 C ATOM 1046 O LEU A 68 -6.894 -1.466 1.567 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.754 0.397 -0.988 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.685 -0.685 -0.827 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.813 -0.785 -2.080 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.852 -0.449 0.434 1.00 0.00 C ATOM 0 H LEU A 68 -6.856 2.481 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.699 -0.133 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.214 0.282 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.262 1.370 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.186 -1.645 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.061 -1.562 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.437 -1.035 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.319 0.170 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.099 -1.232 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.360 0.521 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.502 -0.468 1.308 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.724 0.366 2.190 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.292 -0.203 3.455 1.00 0.00 C ATOM 1064 C VAL A 69 -6.520 -0.583 4.284 1.00 0.00 C ATOM 1065 O VAL A 69 -6.666 -1.734 4.693 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.361 0.773 4.178 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.072 0.301 5.604 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -3.063 0.975 3.393 1.00 0.00 C ATOM 0 H VAL A 69 -5.391 1.314 2.013 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.718 -1.114 3.287 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.868 1.736 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.408 1.012 6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.006 0.232 6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.595 -0.679 5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.419 1.673 3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.551 0.019 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.293 1.377 2.407 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.372 0.407 4.508 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.583 0.191 5.281 1.00 0.00 C ATOM 1080 C GLN A 70 -9.311 -1.062 4.789 1.00 0.00 C ATOM 1081 O GLN A 70 -10.062 -1.683 5.540 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.498 1.416 5.221 1.00 0.00 C ATOM 1083 CG GLN A 70 -8.915 2.576 6.029 1.00 0.00 C ATOM 1084 CD GLN A 70 -8.568 2.134 7.452 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -9.341 1.479 8.131 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -7.366 2.527 7.863 1.00 0.00 N ATOM 0 H GLN A 70 -7.247 1.360 4.168 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.303 0.039 6.323 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.634 1.723 4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.484 1.157 5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.021 2.955 5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.632 3.396 6.064 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.769 3.074 7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.041 2.282 8.798 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.064 -1.395 3.531 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.686 -2.562 2.929 1.00 0.00 C ATOM 1097 C GLU A 71 -8.921 -3.830 3.315 1.00 0.00 C ATOM 1098 O GLU A 71 -9.526 -4.869 3.574 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.773 -2.416 1.409 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.301 -1.033 1.021 1.00 0.00 C ATOM 1101 CD GLU A 71 -11.777 -1.103 0.621 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.420 -2.106 0.999 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.227 -0.152 -0.054 1.00 0.00 O ATOM 0 H GLU A 71 -8.441 -0.877 2.911 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.703 -2.644 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.788 -2.570 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.428 -3.187 1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.179 -0.345 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.714 -0.635 0.193 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.603 -3.702 3.342 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.749 -4.824 3.692 1.00 0.00 C ATOM 1112 C LEU A 72 -7.000 -5.215 5.150 1.00 0.00 C ATOM 1113 O LEU A 72 -6.710 -6.340 5.553 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.285 -4.500 3.386 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.360 -5.701 3.186 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.474 -5.512 1.953 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.537 -5.975 4.446 1.00 0.00 C ATOM 0 H LEU A 72 -7.105 -2.838 3.127 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.993 -5.693 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.250 -3.886 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.890 -3.894 4.201 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.978 -6.581 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.826 -6.380 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.101 -5.403 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.863 -4.618 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.888 -6.834 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.929 -5.101 4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.207 -6.185 5.280 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.538 -4.265 5.900 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.831 -4.496 7.304 1.00 0.00 C ATOM 1131 C LEU A 73 -9.114 -5.321 7.423 1.00 0.00 C ATOM 1132 O LEU A 73 -9.200 -6.225 8.253 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.880 -3.170 8.067 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.562 -2.399 8.155 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.790 -0.983 8.689 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.532 -3.166 8.987 1.00 0.00 C ATOM 0 H LEU A 73 -7.779 -3.333 5.562 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.034 -5.076 7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.623 -2.528 7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.230 -3.369 9.080 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.155 -2.302 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.837 -0.456 8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.465 -0.447 8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.231 -1.036 9.684 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.604 -2.596 9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.917 -3.315 9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.340 -4.134 8.525 1.00 0.00 H new ATOM 1148 N HIS A 74 -10.079 -4.981 6.582 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.353 -5.680 6.582 1.00 0.00 C ATOM 1150 C HIS A 74 -11.245 -6.946 5.730 1.00 0.00 C ATOM 1151 O HIS A 74 -12.202 -7.711 5.624 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.481 -4.753 6.125 1.00 0.00 C ATOM 1153 CG HIS A 74 -13.141 -3.988 7.248 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.068 -2.984 7.029 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.999 -4.092 8.601 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.459 -2.512 8.203 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.794 -3.199 9.176 1.00 0.00 N ATOM 0 H HIS A 74 -10.005 -4.230 5.895 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.602 -5.988 7.597 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.083 -4.043 5.400 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.237 -5.345 5.609 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -12.350 -4.784 9.117 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.178 -1.722 8.362 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.892 -3.051 10.180 1.00 0.00 H new ATOM 1165 N HIS A 75 -10.070 -7.128 5.145 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.824 -8.288 4.306 1.00 0.00 C ATOM 1167 C HIS A 75 -10.275 -7.991 2.875 1.00 0.00 C ATOM 1168 O HIS A 75 -10.120 -8.827 1.985 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.491 -9.534 4.892 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.532 -9.557 6.401 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -11.681 -9.846 7.116 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -9.553 -9.325 7.323 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -11.396 -9.786 8.409 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -10.077 -9.463 8.535 1.00 0.00 N ATOM 0 H HIS A 75 -9.278 -6.491 5.236 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.755 -8.500 4.276 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.510 -9.602 4.510 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.959 -10.418 4.540 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.526 -9.072 7.104 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -12.087 -9.962 9.220 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.576 -9.347 9.416 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.825 -6.799 2.697 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.300 -6.381 1.389 1.00 0.00 C ATOM 1184 C GLN A 76 -10.121 -6.194 0.431 1.00 0.00 C ATOM 1185 O GLN A 76 -9.786 -5.068 0.067 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.132 -5.102 1.490 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.500 -5.386 2.115 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.532 -5.731 1.039 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.529 -6.805 0.461 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.413 -4.763 0.805 1.00 0.00 N ATOM 0 H GLN A 76 -10.952 -6.109 3.437 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.946 -7.164 0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.600 -4.364 2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.264 -4.670 0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.417 -6.211 2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.834 -4.515 2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.359 -3.887 1.325 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.143 -4.896 0.105 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.525 -7.315 0.051 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.391 -7.289 -0.857 1.00 0.00 C ATOM 1201 C TRP A 77 -8.876 -6.746 -2.203 1.00 0.00 C ATOM 1202 O TRP A 77 -8.243 -5.868 -2.787 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.745 -8.671 -0.968 1.00 0.00 C ATOM 1204 CG TRP A 77 -8.019 -9.583 0.230 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.946 -10.544 0.340 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.316 -9.581 1.490 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.894 -11.159 1.574 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.871 -10.555 2.296 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.248 -8.783 1.935 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.423 -10.822 3.595 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.812 -9.062 3.236 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.359 -10.039 4.060 1.00 0.00 C ATOM 0 H TRP A 77 -9.806 -8.247 0.356 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.608 -6.632 -0.478 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.107 -9.159 -1.873 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.668 -8.549 -1.080 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.646 -10.805 -0.440 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.495 -11.917 1.897 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.799 -8.015 1.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.874 -11.590 4.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.993 -8.477 3.627 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -5.965 -10.193 5.054 1.00 0.00 H new ATOM 1223 N ASP A 78 -9.995 -7.292 -2.657 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.572 -6.874 -3.923 1.00 0.00 C ATOM 1225 C ASP A 78 -10.627 -5.346 -3.974 1.00 0.00 C ATOM 1226 O ASP A 78 -10.146 -4.736 -4.927 1.00 0.00 O ATOM 1227 CB ASP A 78 -11.999 -7.404 -4.080 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.139 -8.624 -4.993 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -11.368 -8.690 -5.974 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -13.014 -9.463 -4.688 1.00 0.00 O ATOM 0 H ASP A 78 -10.517 -8.020 -2.170 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.949 -7.271 -4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.386 -7.661 -3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.627 -6.603 -4.470 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.217 -4.772 -2.936 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.341 -3.327 -2.850 1.00 0.00 C ATOM 1237 C ALA A 79 -9.950 -2.695 -2.924 1.00 0.00 C ATOM 1238 O ALA A 79 -9.699 -1.836 -3.768 1.00 0.00 O ATOM 1239 CB ALA A 79 -12.084 -2.953 -1.566 1.00 0.00 C ATOM 0 H ALA A 79 -11.615 -5.282 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.923 -2.942 -3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.177 -1.869 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.077 -3.402 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.528 -3.321 -0.704 1.00 0.00 H new ATOM 1245 N ALA A 80 -9.082 -3.145 -2.030 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.723 -2.634 -1.983 1.00 0.00 C ATOM 1247 C ALA A 80 -7.124 -2.659 -3.391 1.00 0.00 C ATOM 1248 O ALA A 80 -6.475 -1.703 -3.811 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.903 -3.455 -0.986 1.00 0.00 C ATOM 0 H ALA A 80 -9.294 -3.858 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.714 -1.600 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.883 -3.072 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.353 -3.380 0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.888 -4.499 -1.300 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.364 -3.765 -4.081 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.856 -3.928 -5.432 1.00 0.00 C ATOM 1257 C ASP A 81 -7.474 -2.860 -6.337 1.00 0.00 C ATOM 1258 O ASP A 81 -6.794 -2.296 -7.193 1.00 0.00 O ATOM 1259 CB ASP A 81 -7.228 -5.300 -5.999 1.00 0.00 C ATOM 1260 CG ASP A 81 -6.515 -5.677 -7.299 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -5.376 -6.182 -7.195 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -7.125 -5.454 -8.366 1.00 0.00 O ATOM 0 H ASP A 81 -7.903 -4.556 -3.729 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.771 -3.834 -5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.008 -6.059 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.304 -5.326 -6.172 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.757 -2.613 -6.116 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.475 -1.623 -6.901 1.00 0.00 C ATOM 1269 C ASP A 82 -8.823 -0.253 -6.704 1.00 0.00 C ATOM 1270 O ASP A 82 -8.457 0.410 -7.673 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.935 -1.520 -6.455 1.00 0.00 C ATOM 1272 CG ASP A 82 -11.869 -0.835 -7.455 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -11.597 0.344 -7.770 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -12.834 -1.505 -7.881 1.00 0.00 O ATOM 0 H ASP A 82 -9.318 -3.081 -5.404 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.438 -1.929 -7.946 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.311 -2.524 -6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.974 -0.975 -5.512 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.698 0.131 -5.442 1.00 0.00 N ATOM 1280 CA ILE A 83 -8.096 1.411 -5.105 1.00 0.00 C ATOM 1281 C ILE A 83 -6.647 1.433 -5.595 1.00 0.00 C ATOM 1282 O ILE A 83 -6.190 2.432 -6.148 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.244 1.695 -3.609 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.717 1.701 -3.195 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.535 2.995 -3.226 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.872 1.336 -1.717 1.00 0.00 C ATOM 0 H ILE A 83 -9.003 -0.421 -4.640 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.617 2.223 -5.613 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.759 0.889 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.146 2.687 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.274 0.993 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.655 3.174 -2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.474 2.914 -3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.970 3.824 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.928 1.347 -1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.464 0.340 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.334 2.060 -1.105 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.965 0.319 -5.376 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.577 0.197 -5.788 1.00 0.00 C ATOM 1300 C HIS A 84 -4.440 0.605 -7.256 1.00 0.00 C ATOM 1301 O HIS A 84 -3.520 1.338 -7.618 1.00 0.00 O ATOM 1302 CB HIS A 84 -4.049 -1.212 -5.513 1.00 0.00 C ATOM 1303 CG HIS A 84 -3.116 -1.738 -6.578 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -2.044 -1.157 -7.189 1.00 0.00 N flip ATOM 1305 CD2 HIS A 84 -3.242 -3.002 -7.127 1.00 0.00 C flip ATOM 1306 CE1 HIS A 84 -1.541 -2.020 -8.063 1.00 0.00 C flip ATOM 1307 NE2 HIS A 84 -2.282 -3.164 -8.027 1.00 0.00 N flip ATOM 0 H HIS A 84 -6.348 -0.508 -4.918 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.959 0.874 -5.199 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.528 -1.213 -4.556 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.894 -1.893 -5.417 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -1.689 -0.219 -7.005 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -3.994 -3.732 -6.867 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.685 -1.845 -8.698 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.369 0.114 -8.063 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.365 0.418 -9.484 1.00 0.00 C ATOM 1317 C ARG A 85 -5.577 1.917 -9.706 1.00 0.00 C ATOM 1318 O ARG A 85 -4.806 2.558 -10.418 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.459 -0.360 -10.217 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.001 -1.786 -10.531 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.055 -1.805 -11.734 1.00 0.00 C ATOM 1322 NE ARG A 85 -4.341 -3.101 -11.795 1.00 0.00 N ATOM 1323 CZ ARG A 85 -4.920 -4.262 -12.130 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -6.224 -4.297 -12.437 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -4.195 -5.388 -12.160 1.00 0.00 N ATOM 0 H ARG A 85 -6.130 -0.493 -7.759 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.395 0.122 -9.884 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.361 -0.390 -9.605 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.718 0.155 -11.142 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.498 -2.210 -9.662 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.868 -2.414 -10.736 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.619 -1.647 -12.653 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.337 -0.988 -11.656 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.347 -3.110 -11.568 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.776 -3.440 -12.416 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.664 -5.181 -12.692 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.202 -5.362 -11.928 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.636 -6.272 -12.415 1.00 0.00 H new ATOM 1339 N SER A 86 -6.628 2.432 -9.084 1.00 0.00 N ATOM 1340 CA SER A 86 -6.952 3.843 -9.206 1.00 0.00 C ATOM 1341 C SER A 86 -5.692 4.688 -9.012 1.00 0.00 C ATOM 1342 O SER A 86 -5.515 5.707 -9.677 1.00 0.00 O ATOM 1343 CB SER A 86 -8.025 4.251 -8.194 1.00 0.00 C ATOM 1344 OG SER A 86 -7.478 4.484 -6.900 1.00 0.00 O ATOM 0 H SER A 86 -7.266 1.897 -8.494 1.00 0.00 H new ATOM 0 HA SER A 86 -7.348 4.017 -10.206 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.528 5.153 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.781 3.468 -8.132 1.00 0.00 H new ATOM 0 HG SER A 86 -7.222 3.629 -6.494 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.848 4.233 -8.097 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.609 4.935 -7.807 1.00 0.00 C ATOM 1352 C LEU A 87 -2.621 4.711 -8.954 1.00 0.00 C ATOM 1353 O LEU A 87 -1.857 5.610 -9.304 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.066 4.520 -6.438 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.598 5.306 -5.239 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.358 4.546 -3.934 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -3.003 6.715 -5.200 1.00 0.00 C ATOM 0 H LEU A 87 -4.998 3.387 -7.547 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.785 6.009 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.292 3.465 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.980 4.614 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.677 5.415 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.746 5.128 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.868 3.584 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.289 4.384 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.398 7.253 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.918 6.650 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.269 7.248 -6.113 1.00 0.00 H new ATOM 1369 N MET A 88 -2.669 3.508 -9.508 1.00 0.00 N ATOM 1370 CA MET A 88 -1.788 3.156 -10.608 1.00 0.00 C ATOM 1371 C MET A 88 -2.234 3.831 -11.906 1.00 0.00 C ATOM 1372 O MET A 88 -1.523 3.788 -12.909 1.00 0.00 O ATOM 1373 CB MET A 88 -1.788 1.637 -10.796 1.00 0.00 C ATOM 1374 CG MET A 88 -0.612 0.994 -10.057 1.00 0.00 C ATOM 1375 SD MET A 88 0.477 0.193 -11.223 1.00 0.00 S ATOM 1376 CE MET A 88 2.044 0.860 -10.692 1.00 0.00 C ATOM 0 H MET A 88 -3.304 2.765 -9.215 1.00 0.00 H new ATOM 0 HA MET A 88 -0.782 3.502 -10.368 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.726 1.221 -10.427 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.729 1.398 -11.858 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.065 1.753 -9.498 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.980 0.268 -9.333 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.612 1.191 -11.561 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.873 1.707 -10.027 1.00 0.00 H new ATOM 0 HE3 MET A 88 2.606 0.091 -10.162 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.410 4.439 -11.846 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.960 5.122 -13.004 1.00 0.00 C ATOM 1388 C VAL A 89 -3.284 6.487 -13.154 1.00 0.00 C ATOM 1389 O VAL A 89 -2.771 6.815 -14.223 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.482 5.220 -12.881 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -6.064 6.121 -13.971 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.124 3.832 -12.916 1.00 0.00 C ATOM 0 H VAL A 89 -3.997 4.473 -11.013 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.757 4.556 -13.913 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.712 5.672 -11.916 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.147 6.173 -13.860 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.641 7.122 -13.880 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.819 5.711 -14.951 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.206 3.929 -12.827 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.880 3.342 -13.859 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.744 3.234 -12.087 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.305 7.245 -12.068 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.700 8.566 -12.066 1.00 0.00 C ATOM 1404 C ASP A 90 -1.279 8.471 -11.506 1.00 0.00 C ATOM 1405 O ASP A 90 -0.307 8.635 -12.241 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.492 9.533 -11.183 1.00 0.00 C ATOM 1407 CG ASP A 90 -4.881 9.899 -11.710 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -5.593 8.963 -12.133 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -5.199 11.108 -11.679 1.00 0.00 O ATOM 0 H ASP A 90 -3.731 6.970 -11.183 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.694 8.936 -13.091 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.600 9.091 -10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.913 10.448 -11.062 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.205 8.208 -10.210 1.00 0.00 N ATOM 1415 CA HIS A 91 0.081 8.089 -9.543 1.00 0.00 C ATOM 1416 C HIS A 91 0.645 6.684 -9.761 1.00 0.00 C ATOM 1417 O HIS A 91 0.818 5.926 -8.808 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.039 8.457 -8.063 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.090 9.501 -7.772 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -0.798 10.850 -7.667 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -2.433 9.381 -7.567 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -1.922 11.502 -7.409 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -2.934 10.590 -7.347 1.00 0.00 N ATOM 0 H HIS A 91 -2.014 8.074 -9.604 1.00 0.00 H new ATOM 0 HA HIS A 91 0.787 8.797 -9.978 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.269 7.557 -7.493 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.926 8.820 -7.710 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.994 8.458 -7.581 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.020 12.569 -7.272 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.914 10.802 -7.162 1.00 0.00 H new ATOM 1431 N VAL A 92 0.915 6.378 -11.022 1.00 0.00 N ATOM 1432 CA VAL A 92 1.455 5.077 -11.378 1.00 0.00 C ATOM 1433 C VAL A 92 2.958 5.059 -11.092 1.00 0.00 C ATOM 1434 O VAL A 92 3.489 4.060 -10.609 1.00 0.00 O ATOM 1435 CB VAL A 92 1.119 4.752 -12.834 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.148 5.367 -13.785 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.010 3.241 -13.047 1.00 0.00 C ATOM 0 H VAL A 92 0.770 7.009 -11.810 1.00 0.00 H new ATOM 0 HA VAL A 92 0.999 4.294 -10.771 1.00 0.00 H new ATOM 0 HB VAL A 92 0.148 5.193 -13.060 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.885 5.121 -14.814 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.156 6.450 -13.662 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.137 4.969 -13.558 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.770 3.037 -14.091 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.959 2.768 -12.794 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.223 2.839 -12.409 1.00 0.00 H new ATOM 1447 N THR A 93 3.601 6.175 -11.403 1.00 0.00 N ATOM 1448 CA THR A 93 5.032 6.299 -11.186 1.00 0.00 C ATOM 1449 C THR A 93 5.333 6.462 -9.695 1.00 0.00 C ATOM 1450 O THR A 93 6.077 5.670 -9.118 1.00 0.00 O ATOM 1451 CB THR A 93 5.540 7.464 -12.039 1.00 0.00 C ATOM 1452 OG1 THR A 93 6.104 6.834 -13.186 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.722 8.190 -11.394 1.00 0.00 C ATOM 0 H THR A 93 3.157 7.001 -11.804 1.00 0.00 H new ATOM 0 HA THR A 93 5.559 5.396 -11.495 1.00 0.00 H new ATOM 0 HB THR A 93 4.728 8.171 -12.208 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.456 7.517 -13.794 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.043 9.007 -12.040 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.419 8.590 -10.426 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.547 7.491 -11.256 1.00 0.00 H new ATOM 1461 N GLU A 94 4.740 7.494 -9.113 1.00 0.00 N ATOM 1462 CA GLU A 94 4.935 7.770 -7.700 1.00 0.00 C ATOM 1463 C GLU A 94 4.817 6.481 -6.885 1.00 0.00 C ATOM 1464 O GLU A 94 5.732 6.124 -6.145 1.00 0.00 O ATOM 1465 CB GLU A 94 3.942 8.824 -7.205 1.00 0.00 C ATOM 1466 CG GLU A 94 4.513 10.234 -7.367 1.00 0.00 C ATOM 1467 CD GLU A 94 5.541 10.538 -6.275 1.00 0.00 C ATOM 1468 OE1 GLU A 94 6.652 9.973 -6.369 1.00 0.00 O ATOM 1469 OE2 GLU A 94 5.192 11.329 -5.372 1.00 0.00 O ATOM 0 H GLU A 94 4.124 8.149 -9.594 1.00 0.00 H new ATOM 0 HA GLU A 94 5.939 8.172 -7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.009 8.740 -7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.705 8.642 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.979 10.331 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.705 10.965 -7.324 1.00 0.00 H new ATOM 1476 N VAL A 95 3.682 5.817 -7.049 1.00 0.00 N ATOM 1477 CA VAL A 95 3.433 4.574 -6.339 1.00 0.00 C ATOM 1478 C VAL A 95 4.503 3.550 -6.719 1.00 0.00 C ATOM 1479 O VAL A 95 4.922 2.746 -5.888 1.00 0.00 O ATOM 1480 CB VAL A 95 2.010 4.086 -6.622 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.981 5.163 -6.272 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.864 3.639 -8.077 1.00 0.00 C ATOM 0 H VAL A 95 2.925 6.116 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 95 3.501 4.729 -5.262 1.00 0.00 H new ATOM 0 HB VAL A 95 1.819 3.222 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.022 4.791 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.061 5.412 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.170 6.055 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.844 3.297 -8.252 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.084 4.477 -8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.559 2.824 -8.279 1.00 0.00 H new ATOM 1492 N SER A 96 4.916 3.612 -7.977 1.00 0.00 N ATOM 1493 CA SER A 96 5.930 2.700 -8.478 1.00 0.00 C ATOM 1494 C SER A 96 7.133 2.685 -7.533 1.00 0.00 C ATOM 1495 O SER A 96 7.159 3.415 -6.543 1.00 0.00 O ATOM 1496 CB SER A 96 6.370 3.088 -9.891 1.00 0.00 C ATOM 1497 OG SER A 96 7.644 3.727 -9.897 1.00 0.00 O ATOM 0 H SER A 96 4.566 4.280 -8.664 1.00 0.00 H new ATOM 0 HA SER A 96 5.499 1.700 -8.523 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.409 2.196 -10.516 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.628 3.754 -10.332 1.00 0.00 H new ATOM 0 HG SER A 96 7.545 4.657 -9.604 1.00 0.00 H new ATOM 1503 N GLN A 97 8.100 1.845 -7.871 1.00 0.00 N ATOM 1504 CA GLN A 97 9.303 1.725 -7.065 1.00 0.00 C ATOM 1505 C GLN A 97 8.978 1.072 -5.720 1.00 0.00 C ATOM 1506 O GLN A 97 9.851 0.937 -4.864 1.00 0.00 O ATOM 1507 CB GLN A 97 9.968 3.088 -6.866 1.00 0.00 C ATOM 1508 CG GLN A 97 10.974 3.376 -7.983 1.00 0.00 C ATOM 1509 CD GLN A 97 12.059 4.344 -7.507 1.00 0.00 C ATOM 1510 OE1 GLN A 97 12.409 4.400 -6.340 1.00 0.00 O ATOM 1511 NE2 GLN A 97 12.570 5.101 -8.474 1.00 0.00 N ATOM 0 H GLN A 97 8.075 1.241 -8.692 1.00 0.00 H new ATOM 0 HA GLN A 97 10.010 1.087 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.207 3.868 -6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.474 3.112 -5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.433 2.444 -8.314 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.456 3.799 -8.844 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.231 5.003 -9.431 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.301 5.779 -8.258 1.00 0.00 H new ATOM 1520 N TRP A 98 7.719 0.684 -5.576 1.00 0.00 N ATOM 1521 CA TRP A 98 7.268 0.048 -4.350 1.00 0.00 C ATOM 1522 C TRP A 98 5.880 -0.542 -4.606 1.00 0.00 C ATOM 1523 O TRP A 98 5.594 -1.666 -4.196 1.00 0.00 O ATOM 1524 CB TRP A 98 7.291 1.035 -3.180 1.00 0.00 C ATOM 1525 CG TRP A 98 6.384 2.251 -3.374 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.683 3.418 -3.961 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.009 2.374 -2.954 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.606 4.281 -3.950 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.555 3.625 -3.318 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.175 1.458 -2.289 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.255 4.075 -3.060 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 2.879 1.922 -2.037 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.407 3.179 -2.397 1.00 0.00 C ATOM 0 H TRP A 98 6.998 0.798 -6.288 1.00 0.00 H new ATOM 0 HA TRP A 98 7.942 -0.759 -4.064 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.992 0.513 -2.271 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.314 1.378 -3.028 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.646 3.654 -4.389 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.585 5.226 -4.334 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.508 0.474 -1.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.924 5.059 -3.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.198 1.257 -1.527 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.391 3.463 -2.166 1.00 0.00 H new ATOM 1544 N MET A 99 5.054 0.242 -5.283 1.00 0.00 N ATOM 1545 CA MET A 99 3.703 -0.189 -5.599 1.00 0.00 C ATOM 1546 C MET A 99 3.662 -1.690 -5.895 1.00 0.00 C ATOM 1547 O MET A 99 2.695 -2.368 -5.550 1.00 0.00 O ATOM 1548 CB MET A 99 3.191 0.585 -6.816 1.00 0.00 C ATOM 1549 CG MET A 99 1.855 0.021 -7.302 1.00 0.00 C ATOM 1550 SD MET A 99 0.549 1.200 -7.002 1.00 0.00 S ATOM 1551 CE MET A 99 0.294 0.942 -5.254 1.00 0.00 C ATOM 0 H MET A 99 5.294 1.174 -5.622 1.00 0.00 H new ATOM 0 HA MET A 99 3.067 0.011 -4.737 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.073 1.638 -6.559 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.926 0.533 -7.620 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.913 -0.207 -8.366 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.637 -0.915 -6.787 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.616 1.454 -4.940 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.198 -0.125 -5.054 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.144 1.340 -4.700 1.00 0.00 H new ATOM 1561 N VAL A 100 4.722 -2.165 -6.532 1.00 0.00 N ATOM 1562 CA VAL A 100 4.819 -3.572 -6.878 1.00 0.00 C ATOM 1563 C VAL A 100 4.654 -4.417 -5.613 1.00 0.00 C ATOM 1564 O VAL A 100 3.813 -5.313 -5.567 1.00 0.00 O ATOM 1565 CB VAL A 100 6.136 -3.842 -7.609 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.184 -3.098 -8.945 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.335 -3.474 -6.733 1.00 0.00 C ATOM 0 H VAL A 100 5.522 -1.600 -6.818 1.00 0.00 H new ATOM 0 HA VAL A 100 4.019 -3.852 -7.563 1.00 0.00 H new ATOM 0 HB VAL A 100 6.190 -4.910 -7.818 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.130 -3.307 -9.444 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.360 -3.430 -9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.096 -2.026 -8.768 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.258 -3.676 -7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.288 -2.415 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.314 -4.069 -5.820 1.00 0.00 H new ATOM 1577 N GLY A 101 5.469 -4.101 -4.618 1.00 0.00 N ATOM 1578 CA GLY A 101 5.424 -4.819 -3.356 1.00 0.00 C ATOM 1579 C GLY A 101 3.991 -4.911 -2.829 1.00 0.00 C ATOM 1580 O GLY A 101 3.481 -6.005 -2.592 1.00 0.00 O ATOM 0 H GLY A 101 6.165 -3.357 -4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.832 -5.821 -3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.053 -4.314 -2.623 1.00 0.00 H new ATOM 1584 N VAL A 102 3.381 -3.746 -2.660 1.00 0.00 N ATOM 1585 CA VAL A 102 2.016 -3.681 -2.165 1.00 0.00 C ATOM 1586 C VAL A 102 1.168 -4.736 -2.879 1.00 0.00 C ATOM 1587 O VAL A 102 0.505 -5.545 -2.233 1.00 0.00 O ATOM 1588 CB VAL A 102 1.467 -2.262 -2.328 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.015 -2.179 -1.855 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.344 -1.248 -1.592 1.00 0.00 C ATOM 0 H VAL A 102 3.807 -2.840 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 102 1.985 -3.906 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 102 1.487 -2.014 -3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.351 -1.160 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.599 -2.861 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.041 -2.457 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.932 -0.247 -1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.370 -1.493 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.355 -1.280 -1.997 1.00 0.00 H new ATOM 1600 N LYS A 103 1.218 -4.693 -4.202 1.00 0.00 N ATOM 1601 CA LYS A 103 0.463 -5.635 -5.011 1.00 0.00 C ATOM 1602 C LYS A 103 0.699 -7.053 -4.488 1.00 0.00 C ATOM 1603 O LYS A 103 -0.233 -7.850 -4.402 1.00 0.00 O ATOM 1604 CB LYS A 103 0.802 -5.461 -6.492 1.00 0.00 C ATOM 1605 CG LYS A 103 0.292 -6.647 -7.314 1.00 0.00 C ATOM 1606 CD LYS A 103 -0.246 -6.184 -8.669 1.00 0.00 C ATOM 1607 CE LYS A 103 -0.148 -7.302 -9.709 1.00 0.00 C ATOM 1608 NZ LYS A 103 0.633 -6.850 -10.883 1.00 0.00 N ATOM 0 H LYS A 103 1.770 -4.020 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.606 -5.438 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.358 -4.538 -6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.881 -5.367 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.099 -7.363 -7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.494 -7.164 -6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.285 -5.870 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.317 -5.315 -9.010 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.324 -8.179 -9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.147 -7.603 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.690 -7.620 -11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.166 -6.027 -11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.592 -6.585 -10.581 1.00 0.00 H new ATOM 1622 N ARG A 104 1.952 -7.325 -4.152 1.00 0.00 N ATOM 1623 CA ARG A 104 2.323 -8.633 -3.640 1.00 0.00 C ATOM 1624 C ARG A 104 1.776 -8.823 -2.223 1.00 0.00 C ATOM 1625 O ARG A 104 1.056 -9.784 -1.956 1.00 0.00 O ATOM 1626 CB ARG A 104 3.843 -8.806 -3.620 1.00 0.00 C ATOM 1627 CG ARG A 104 4.225 -10.286 -3.545 1.00 0.00 C ATOM 1628 CD ARG A 104 3.868 -11.011 -4.844 1.00 0.00 C ATOM 1629 NE ARG A 104 5.090 -11.246 -5.645 1.00 0.00 N ATOM 1630 CZ ARG A 104 5.093 -11.795 -6.867 1.00 0.00 C ATOM 1631 NH1 ARG A 104 3.939 -12.170 -7.436 1.00 0.00 N ATOM 1632 NH2 ARG A 104 6.250 -11.970 -7.520 1.00 0.00 N ATOM 0 H ARG A 104 2.723 -6.661 -4.225 1.00 0.00 H new ATOM 0 HA ARG A 104 1.892 -9.383 -4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.275 -8.360 -4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.262 -8.275 -2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.294 -10.380 -3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.709 -10.756 -2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.383 -11.961 -4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.156 -10.418 -5.417 1.00 0.00 H new ATOM 0 HE ARG A 104 5.986 -10.973 -5.241 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.058 -12.037 -6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.941 -12.588 -8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 104 7.128 -11.685 -7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.252 -12.388 -8.450 1.00 0.00 H new ATOM 1646 N LEU A 105 2.140 -7.892 -1.354 1.00 0.00 N ATOM 1647 CA LEU A 105 1.695 -7.945 0.029 1.00 0.00 C ATOM 1648 C LEU A 105 0.219 -8.345 0.070 1.00 0.00 C ATOM 1649 O LEU A 105 -0.155 -9.280 0.776 1.00 0.00 O ATOM 1650 CB LEU A 105 1.994 -6.623 0.739 1.00 0.00 C ATOM 1651 CG LEU A 105 1.893 -6.644 2.265 1.00 0.00 C ATOM 1652 CD1 LEU A 105 3.259 -6.395 2.908 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.838 -5.651 2.759 1.00 0.00 C ATOM 0 H LEU A 105 2.738 -7.097 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 105 2.248 -8.707 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.000 -6.306 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.307 -5.866 0.360 1.00 0.00 H new ATOM 0 HG LEU A 105 1.568 -7.638 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.159 -6.415 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.956 -7.171 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.636 -5.421 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.787 -5.686 3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.109 -4.644 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.134 -5.915 2.341 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.580 -7.616 -0.696 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.007 -7.883 -0.756 1.00 0.00 C ATOM 1667 C ILE A 106 -2.232 -9.372 -1.031 1.00 0.00 C ATOM 1668 O ILE A 106 -2.806 -10.080 -0.205 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.683 -6.961 -1.773 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.468 -5.491 -1.407 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.167 -7.303 -1.922 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.626 -4.592 -2.635 1.00 0.00 C ATOM 0 H ILE A 106 -0.266 -6.841 -1.280 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.476 -7.661 0.202 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.216 -7.123 -2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.184 -5.195 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.473 -5.360 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.623 -6.633 -2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.271 -8.333 -2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.666 -7.187 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.468 -3.552 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.892 -4.875 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.630 -4.707 -3.043 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.769 -9.802 -2.195 1.00 0.00 N ATOM 1685 CA ALA A 107 -1.912 -11.193 -2.590 1.00 0.00 C ATOM 1686 C ALA A 107 -1.539 -12.094 -1.411 1.00 0.00 C ATOM 1687 O ALA A 107 -2.305 -12.981 -1.036 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.052 -11.465 -3.826 1.00 0.00 C ATOM 0 H ALA A 107 -1.294 -9.211 -2.878 1.00 0.00 H new ATOM 0 HA ALA A 107 -2.946 -11.411 -2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.160 -12.509 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.376 -10.821 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.007 -11.260 -3.594 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.363 -11.836 -0.859 1.00 0.00 N ATOM 1695 CA GLU A 108 0.120 -12.613 0.270 1.00 0.00 C ATOM 1696 C GLU A 108 -0.919 -12.621 1.393 1.00 0.00 C ATOM 1697 O GLU A 108 -1.428 -13.678 1.764 1.00 0.00 O ATOM 1698 CB GLU A 108 1.463 -12.075 0.771 1.00 0.00 C ATOM 1699 CG GLU A 108 2.598 -12.465 -0.179 1.00 0.00 C ATOM 1700 CD GLU A 108 2.622 -13.977 -0.413 1.00 0.00 C ATOM 1701 OE1 GLU A 108 2.235 -14.703 0.528 1.00 0.00 O ATOM 1702 OE2 GLU A 108 3.026 -14.373 -1.527 1.00 0.00 O ATOM 0 H GLU A 108 0.270 -11.100 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 108 0.277 -13.640 -0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.414 -10.990 0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.667 -12.467 1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.474 -11.948 -1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.552 -12.143 0.237 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.204 -11.432 1.902 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.174 -11.289 2.974 1.00 0.00 C ATOM 1711 C LYS A 109 -3.419 -12.114 2.643 1.00 0.00 C ATOM 1712 O LYS A 109 -3.812 -12.988 3.414 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.467 -9.811 3.238 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.364 -9.176 4.087 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.494 -9.591 5.554 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.589 -8.787 6.257 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.961 -9.428 7.538 1.00 0.00 N ATOM 0 H LYS A 109 -0.780 -10.558 1.592 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.771 -11.681 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.553 -9.279 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.425 -9.712 3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.388 -9.476 3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.418 -8.090 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.723 -10.655 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.543 -9.440 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.241 -7.770 6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.465 -8.713 5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.814 -8.972 7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.150 -10.438 7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.180 -9.325 8.217 1.00 0.00 H new ATOM 1731 N LYS A 110 -4.005 -11.807 1.495 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.197 -12.509 1.052 1.00 0.00 C ATOM 1733 C LYS A 110 -4.946 -14.017 1.106 1.00 0.00 C ATOM 1734 O LYS A 110 -5.706 -14.755 1.731 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.634 -12.007 -0.325 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.818 -12.819 -0.855 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.177 -12.399 -2.281 1.00 0.00 C ATOM 1738 CE LYS A 110 -8.591 -12.854 -2.648 1.00 0.00 C ATOM 1739 NZ LYS A 110 -8.869 -12.584 -4.076 1.00 0.00 N ATOM 0 H LYS A 110 -3.676 -11.081 0.858 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.032 -12.301 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.910 -10.954 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.800 -12.076 -1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.573 -13.881 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.680 -12.679 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.104 -11.315 -2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.460 -12.828 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.700 -13.919 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.319 -12.335 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.833 -12.899 -4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.785 -11.564 -4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.185 -13.099 -4.666 1.00 0.00 H new ATOM 1753 N SER A 111 -3.875 -14.430 0.443 1.00 0.00 N ATOM 1754 CA SER A 111 -3.514 -15.837 0.408 1.00 0.00 C ATOM 1755 C SER A 111 -3.623 -16.441 1.809 1.00 0.00 C ATOM 1756 O SER A 111 -4.307 -17.444 2.005 1.00 0.00 O ATOM 1757 CB SER A 111 -2.100 -16.029 -0.144 1.00 0.00 C ATOM 1758 OG SER A 111 -2.080 -16.899 -1.272 1.00 0.00 O ATOM 0 H SER A 111 -3.246 -13.815 -0.074 1.00 0.00 H new ATOM 0 HA SER A 111 -4.208 -16.351 -0.257 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.686 -15.061 -0.426 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.458 -16.434 0.638 1.00 0.00 H new ATOM 0 HG SER A 111 -1.160 -16.994 -1.596 1.00 0.00 H new ATOM 1764 N LEU A 112 -2.938 -15.804 2.748 1.00 0.00 N ATOM 1765 CA LEU A 112 -2.950 -16.266 4.126 1.00 0.00 C ATOM 1766 C LEU A 112 -4.387 -16.585 4.540 1.00 0.00 C ATOM 1767 O LEU A 112 -4.671 -17.684 5.015 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.258 -15.251 5.037 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.802 -14.927 4.696 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.281 -13.773 5.556 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.079 -16.172 4.814 1.00 0.00 C ATOM 0 H LEU A 112 -2.371 -14.972 2.582 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.378 -17.189 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.830 -14.324 5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.296 -15.625 6.060 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.759 -14.600 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.756 -13.563 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.887 -12.885 5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.340 -14.048 6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.109 -15.914 4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.036 -16.553 5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.279 -16.938 4.125 1.00 0.00 H new ATOM 1783 N SER A 113 -5.257 -15.604 4.346 1.00 0.00 N ATOM 1784 CA SER A 113 -6.658 -15.767 4.694 1.00 0.00 C ATOM 1785 C SER A 113 -7.433 -16.326 3.499 1.00 0.00 C ATOM 1786 O SER A 113 -8.060 -15.574 2.754 1.00 0.00 O ATOM 1787 CB SER A 113 -7.270 -14.440 5.149 1.00 0.00 C ATOM 1788 OG SER A 113 -8.189 -14.617 6.223 1.00 0.00 O ATOM 0 H SER A 113 -5.018 -14.694 3.952 1.00 0.00 H new ATOM 0 HA SER A 113 -6.725 -16.471 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.475 -13.762 5.460 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.780 -13.969 4.309 1.00 0.00 H new ATOM 0 HG SER A 113 -8.556 -13.747 6.486 1.00 0.00 H new ATOM 1794 N GLY A 114 -7.363 -17.641 3.353 1.00 0.00 N ATOM 1795 CA GLY A 114 -8.050 -18.310 2.261 1.00 0.00 C ATOM 1796 C GLY A 114 -8.994 -19.393 2.788 1.00 0.00 C ATOM 1797 O GLY A 114 -8.640 -20.570 2.816 1.00 0.00 O ATOM 0 H GLY A 114 -6.841 -18.261 3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.615 -17.580 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.320 -18.756 1.586 1.00 0.00 H new ATOM 1801 N PRO A 115 -10.209 -18.943 3.204 1.00 0.00 N ATOM 1802 CA PRO A 115 -11.206 -19.860 3.729 1.00 0.00 C ATOM 1803 C PRO A 115 -11.853 -20.670 2.603 1.00 0.00 C ATOM 1804 O PRO A 115 -11.986 -20.184 1.481 1.00 0.00 O ATOM 1805 CB PRO A 115 -12.197 -18.980 4.472 1.00 0.00 C ATOM 1806 CG PRO A 115 -11.978 -17.570 3.947 1.00 0.00 C ATOM 1807 CD PRO A 115 -10.663 -17.556 3.186 1.00 0.00 C ATOM 0 HA PRO A 115 -10.779 -20.608 4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.221 -19.308 4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.030 -19.026 5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.800 -17.273 3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.950 -16.856 4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.800 -17.197 2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.938 -16.896 3.661 1.00 0.00 H new ATOM 1815 N SER A 116 -12.237 -21.892 2.942 1.00 0.00 N ATOM 1816 CA SER A 116 -12.867 -22.774 1.974 1.00 0.00 C ATOM 1817 C SER A 116 -11.950 -22.961 0.764 1.00 0.00 C ATOM 1818 O SER A 116 -11.926 -22.123 -0.137 1.00 0.00 O ATOM 1819 CB SER A 116 -14.225 -22.226 1.532 1.00 0.00 C ATOM 1820 OG SER A 116 -15.306 -22.906 2.164 1.00 0.00 O ATOM 0 H SER A 116 -12.124 -22.292 3.873 1.00 0.00 H new ATOM 0 HA SER A 116 -13.034 -23.741 2.449 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.280 -21.163 1.765 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.320 -22.321 0.450 1.00 0.00 H new ATOM 0 HG SER A 116 -16.156 -22.526 1.857 1.00 0.00 H new ATOM 1826 N SER A 117 -11.219 -24.066 0.781 1.00 0.00 N ATOM 1827 CA SER A 117 -10.303 -24.374 -0.304 1.00 0.00 C ATOM 1828 C SER A 117 -10.280 -25.883 -0.558 1.00 0.00 C ATOM 1829 O SER A 117 -10.572 -26.334 -1.664 1.00 0.00 O ATOM 1830 CB SER A 117 -8.893 -23.866 0.004 1.00 0.00 C ATOM 1831 OG SER A 117 -8.033 -23.958 -1.129 1.00 0.00 O ATOM 0 H SER A 117 -11.243 -24.759 1.529 1.00 0.00 H new ATOM 0 HA SER A 117 -10.655 -23.866 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 117 -8.946 -22.829 0.336 1.00 0.00 H new ATOM 0 HB3 SER A 117 -8.471 -24.443 0.827 1.00 0.00 H new ATOM 0 HG SER A 117 -7.143 -23.623 -0.892 1.00 0.00 H new ATOM 1837 N GLY A 118 -9.930 -26.620 0.486 1.00 0.00 N ATOM 1838 CA GLY A 118 -9.865 -28.069 0.390 1.00 0.00 C ATOM 1839 C GLY A 118 -10.244 -28.723 1.720 1.00 0.00 C ATOM 1840 O GLY A 118 -11.162 -29.541 1.775 1.00 0.00 O ATOM 0 H GLY A 118 -9.689 -26.242 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -10.537 -28.416 -0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -8.858 -28.374 0.105 1.00 0.00 H new TER 1844 GLY A 118