USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 MET CE :methyl -168:sc= -0.152 (180deg=-0.0737) USER MOD Set 1.2: A 14 CYS SG : rot -65:sc= -1.03! USER MOD Set 1.3: A 17 CYS SG : rot -100:sc= -2.33! USER MOD Set 2.1: A 4 THR OG1 : rot -113:sc= 1.31 USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0.262 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 41:sc= 1.17 USER MOD Single : A 3 GLN : amide:sc= -0.218 K(o=-0.22,f=-3.4!) USER MOD Single : A 6 THR OG1 : rot -160:sc= -2.87! USER MOD Single : A 13 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 20 THR OG1 : rot 80:sc= 0.458 USER MOD Single : A 22 LYS NZ :NH3+ -149:sc= -0.16 (180deg=-1.3!) USER MOD Single : A 23 LYS NZ :NH3+ -146:sc=-0.00812 (180deg=-0.776) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= -0.0195 (180deg=-0.25) USER MOD Single : A 32 SER OG : rot 90:sc= 1.13 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -70:sc= -0.668! USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 121:sc= -2.16! USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0879) USER MOD Single : A 61 THR OG1 : rot -100:sc= -2.27! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 126:sc= -4.74! USER MOD Single : A 69 SER OG : rot 25:sc= 0.282 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0851 F(o=-0.6,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.547 1.629 1.433 1.00 0.00 N ATOM 2 CA ALA A 1 17.338 2.306 0.882 1.00 0.00 C ATOM 3 C ALA A 1 16.116 2.002 1.755 1.00 0.00 C ATOM 4 O ALA A 1 15.904 0.883 2.176 1.00 0.00 O ATOM 5 CB ALA A 1 17.160 1.720 -0.520 1.00 0.00 C ATOM 0 H1 ALA A 1 19.369 1.843 0.832 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.726 1.970 2.399 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.391 0.601 1.452 1.00 0.00 H new ATOM 0 HA ALA A 1 17.446 3.390 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.287 2.169 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.047 1.931 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.019 0.642 -0.448 1.00 0.00 H new ATOM 13 N THR A 2 15.302 2.987 2.017 1.00 0.00 N ATOM 14 CA THR A 2 14.106 2.776 2.836 1.00 0.00 C ATOM 15 C THR A 2 13.342 4.078 2.924 1.00 0.00 C ATOM 16 O THR A 2 13.748 5.027 3.566 1.00 0.00 O ATOM 17 CB THR A 2 14.605 2.337 4.198 1.00 0.00 C ATOM 18 OG1 THR A 2 13.543 2.407 5.139 1.00 0.00 O ATOM 19 CG2 THR A 2 15.754 3.240 4.647 1.00 0.00 C ATOM 0 H THR A 2 15.430 3.943 1.685 1.00 0.00 H new ATOM 0 HA THR A 2 13.434 2.026 2.419 1.00 0.00 H new ATOM 0 HB THR A 2 14.964 1.310 4.135 1.00 0.00 H new ATOM 0 HG1 THR A 2 12.718 2.075 4.727 1.00 0.00 H new ATOM 0 HG21 THR A 2 16.108 2.919 5.627 1.00 0.00 H new ATOM 0 HG22 THR A 2 16.570 3.175 3.927 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.404 4.271 4.708 1.00 0.00 H new ATOM 27 N GLN A 3 12.251 4.123 2.253 1.00 0.00 N ATOM 28 CA GLN A 3 11.432 5.369 2.240 1.00 0.00 C ATOM 29 C GLN A 3 9.966 5.069 2.553 1.00 0.00 C ATOM 30 O GLN A 3 9.557 3.930 2.658 1.00 0.00 O ATOM 31 CB GLN A 3 11.570 5.913 0.817 1.00 0.00 C ATOM 32 CG GLN A 3 10.852 4.983 -0.158 1.00 0.00 C ATOM 33 CD GLN A 3 10.691 5.679 -1.511 1.00 0.00 C ATOM 34 OE1 GLN A 3 9.586 5.885 -1.974 1.00 0.00 O ATOM 35 NE2 GLN A 3 11.754 6.052 -2.171 1.00 0.00 N ATOM 0 H GLN A 3 11.875 3.351 1.703 1.00 0.00 H new ATOM 0 HA GLN A 3 11.768 6.081 2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.147 6.916 0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.623 5.995 0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.418 4.059 -0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.875 4.708 0.239 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.682 5.880 -1.783 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.657 6.516 -3.074 1.00 0.00 H new ATOM 44 N THR A 4 9.174 6.095 2.697 1.00 0.00 N ATOM 45 CA THR A 4 7.731 5.895 2.997 1.00 0.00 C ATOM 46 C THR A 4 6.881 6.651 1.974 1.00 0.00 C ATOM 47 O THR A 4 7.175 7.773 1.614 1.00 0.00 O ATOM 48 CB THR A 4 7.531 6.480 4.396 1.00 0.00 C ATOM 49 OG1 THR A 4 8.583 6.045 5.244 1.00 0.00 O ATOM 50 CG2 THR A 4 6.189 6.014 4.962 1.00 0.00 C ATOM 0 H THR A 4 9.467 7.069 2.619 1.00 0.00 H new ATOM 0 HA THR A 4 7.437 4.846 2.951 1.00 0.00 H new ATOM 0 HB THR A 4 7.537 7.568 4.338 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.222 5.452 5.936 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.049 6.432 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.383 6.351 4.311 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.177 4.926 5.020 1.00 0.00 H new ATOM 58 N VAL A 5 5.829 6.044 1.507 1.00 0.00 N ATOM 59 CA VAL A 5 4.953 6.718 0.507 1.00 0.00 C ATOM 60 C VAL A 5 3.498 6.561 0.918 1.00 0.00 C ATOM 61 O VAL A 5 3.165 5.776 1.777 1.00 0.00 O ATOM 62 CB VAL A 5 5.225 5.994 -0.812 1.00 0.00 C ATOM 63 CG1 VAL A 5 6.702 6.143 -1.181 1.00 0.00 C ATOM 64 CG2 VAL A 5 4.889 4.509 -0.669 1.00 0.00 C ATOM 0 H VAL A 5 5.535 5.105 1.775 1.00 0.00 H new ATOM 0 HA VAL A 5 5.152 7.787 0.425 1.00 0.00 H new ATOM 0 HB VAL A 5 4.604 6.432 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.896 5.627 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.945 7.200 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.319 5.708 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.085 3.999 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.506 4.070 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.837 4.398 -0.408 1.00 0.00 H new ATOM 74 N THR A 6 2.628 7.289 0.302 1.00 0.00 N ATOM 75 CA THR A 6 1.199 7.175 0.637 1.00 0.00 C ATOM 76 C THR A 6 0.529 6.446 -0.511 1.00 0.00 C ATOM 77 O THR A 6 1.040 6.417 -1.612 1.00 0.00 O ATOM 78 CB THR A 6 0.710 8.619 0.731 1.00 0.00 C ATOM 79 OG1 THR A 6 1.488 9.434 -0.134 1.00 0.00 O ATOM 80 CG2 THR A 6 0.857 9.124 2.163 1.00 0.00 C ATOM 0 H THR A 6 2.849 7.966 -0.428 1.00 0.00 H new ATOM 0 HA THR A 6 0.991 6.633 1.560 1.00 0.00 H new ATOM 0 HB THR A 6 -0.339 8.663 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 6 1.410 10.371 0.142 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.507 10.154 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.265 8.500 2.832 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.905 9.079 2.459 1.00 0.00 H new ATOM 88 N LEU A 7 -0.583 5.835 -0.277 1.00 0.00 N ATOM 89 CA LEU A 7 -1.227 5.091 -1.384 1.00 0.00 C ATOM 90 C LEU A 7 -2.727 5.351 -1.410 1.00 0.00 C ATOM 91 O LEU A 7 -3.346 5.634 -0.404 1.00 0.00 O ATOM 92 CB LEU A 7 -0.935 3.615 -1.087 1.00 0.00 C ATOM 93 CG LEU A 7 -0.060 3.035 -2.201 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.180 3.900 -2.375 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.378 1.611 -1.843 1.00 0.00 C ATOM 0 H LEU A 7 -1.072 5.815 0.618 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.847 5.396 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.430 3.519 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.868 3.056 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.637 3.015 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.803 3.487 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.882 4.915 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.744 3.919 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.000 1.210 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.948 1.628 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.502 0.981 -1.716 1.00 0.00 H new ATOM 107 N ALA A 8 -3.309 5.249 -2.564 1.00 0.00 N ATOM 108 CA ALA A 8 -4.779 5.476 -2.687 1.00 0.00 C ATOM 109 C ALA A 8 -5.433 4.262 -3.351 1.00 0.00 C ATOM 110 O ALA A 8 -5.138 3.932 -4.480 1.00 0.00 O ATOM 111 CB ALA A 8 -4.924 6.718 -3.568 1.00 0.00 C ATOM 0 H ALA A 8 -2.833 5.017 -3.436 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.262 5.615 -1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.981 6.947 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.428 7.563 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.466 6.531 -4.539 1.00 0.00 H new ATOM 117 N VAL A 9 -6.309 3.583 -2.663 1.00 0.00 N ATOM 118 CA VAL A 9 -6.953 2.380 -3.278 1.00 0.00 C ATOM 119 C VAL A 9 -8.454 2.593 -3.536 1.00 0.00 C ATOM 120 O VAL A 9 -9.278 2.061 -2.819 1.00 0.00 O ATOM 121 CB VAL A 9 -6.758 1.273 -2.246 1.00 0.00 C ATOM 122 CG1 VAL A 9 -7.414 -0.012 -2.752 1.00 0.00 C ATOM 123 CG2 VAL A 9 -5.263 1.033 -2.030 1.00 0.00 C ATOM 0 H VAL A 9 -6.607 3.803 -1.712 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.512 2.151 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.216 1.569 -1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.276 -0.805 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.479 0.159 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.955 -0.308 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.124 0.242 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.802 0.736 -2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.795 1.950 -1.671 1.00 0.00 H new ATOM 133 N PRO A 10 -8.773 3.342 -4.565 1.00 0.00 N ATOM 134 CA PRO A 10 -10.192 3.587 -4.916 1.00 0.00 C ATOM 135 C PRO A 10 -10.838 2.300 -5.442 1.00 0.00 C ATOM 136 O PRO A 10 -12.044 2.202 -5.556 1.00 0.00 O ATOM 137 CB PRO A 10 -10.085 4.632 -6.029 1.00 0.00 C ATOM 138 CG PRO A 10 -8.602 4.786 -6.415 1.00 0.00 C ATOM 139 CD PRO A 10 -7.750 3.983 -5.421 1.00 0.00 C ATOM 0 HA PRO A 10 -10.804 3.912 -4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.672 4.325 -6.895 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.490 5.586 -5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.436 4.427 -7.431 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.314 5.837 -6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.124 3.247 -5.926 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.084 4.626 -4.845 1.00 0.00 H new ATOM 147 N GLY A 11 -10.043 1.314 -5.768 1.00 0.00 N ATOM 148 CA GLY A 11 -10.611 0.040 -6.290 1.00 0.00 C ATOM 149 C GLY A 11 -11.820 -0.359 -5.449 1.00 0.00 C ATOM 150 O GLY A 11 -12.834 -0.788 -5.963 1.00 0.00 O ATOM 0 H GLY A 11 -9.026 1.338 -5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.904 0.160 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.857 -0.747 -6.259 1.00 0.00 H new ATOM 154 N MET A 12 -11.721 -0.218 -4.156 1.00 0.00 N ATOM 155 CA MET A 12 -12.866 -0.586 -3.279 1.00 0.00 C ATOM 156 C MET A 12 -12.817 0.229 -1.981 1.00 0.00 C ATOM 157 O MET A 12 -11.763 0.458 -1.421 1.00 0.00 O ATOM 158 CB MET A 12 -12.679 -2.075 -2.991 1.00 0.00 C ATOM 159 CG MET A 12 -13.010 -2.890 -4.245 1.00 0.00 C ATOM 160 SD MET A 12 -14.709 -2.546 -4.770 1.00 0.00 S ATOM 161 CE MET A 12 -15.537 -3.660 -3.611 1.00 0.00 C ATOM 0 H MET A 12 -10.897 0.136 -3.670 1.00 0.00 H new ATOM 0 HA MET A 12 -13.830 -0.382 -3.744 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.652 -2.269 -2.680 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.324 -2.380 -2.167 1.00 0.00 H new ATOM 0 HG2 MET A 12 -12.314 -2.640 -5.046 1.00 0.00 H new ATOM 0 HG3 MET A 12 -12.891 -3.954 -4.040 1.00 0.00 H new ATOM 0 HE1 MET A 12 -16.583 -3.771 -3.897 1.00 0.00 H new ATOM 0 HE2 MET A 12 -15.050 -4.635 -3.632 1.00 0.00 H new ATOM 0 HE3 MET A 12 -15.478 -3.247 -2.604 1.00 0.00 H new ATOM 171 N THR A 13 -13.948 0.674 -1.502 1.00 0.00 N ATOM 172 CA THR A 13 -13.963 1.479 -0.245 1.00 0.00 C ATOM 173 C THR A 13 -15.075 1.000 0.698 1.00 0.00 C ATOM 174 O THR A 13 -16.118 1.616 0.801 1.00 0.00 O ATOM 175 CB THR A 13 -14.235 2.913 -0.703 1.00 0.00 C ATOM 176 OG1 THR A 13 -14.480 3.733 0.431 1.00 0.00 O ATOM 177 CG2 THR A 13 -15.456 2.933 -1.625 1.00 0.00 C ATOM 0 H THR A 13 -14.862 0.515 -1.926 1.00 0.00 H new ATOM 0 HA THR A 13 -13.028 1.389 0.307 1.00 0.00 H new ATOM 0 HB THR A 13 -13.368 3.293 -1.244 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.634 3.917 0.890 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.649 3.955 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.265 2.305 -2.495 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.325 2.554 -1.087 1.00 0.00 H new ATOM 185 N CYS A 14 -14.861 -0.085 1.396 1.00 0.00 N ATOM 186 CA CYS A 14 -15.907 -0.588 2.339 1.00 0.00 C ATOM 187 C CYS A 14 -15.218 -1.264 3.529 1.00 0.00 C ATOM 188 O CYS A 14 -14.187 -0.821 3.989 1.00 0.00 O ATOM 189 CB CYS A 14 -16.769 -1.612 1.564 1.00 0.00 C ATOM 190 SG CYS A 14 -16.514 -1.500 -0.229 1.00 0.00 S ATOM 0 H CYS A 14 -14.009 -0.644 1.355 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.532 0.222 2.714 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.526 -2.619 1.902 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.822 -1.445 1.791 1.00 0.00 H new ATOM 0 HG CYS A 14 -16.935 -0.347 -0.656 1.00 0.00 H new ATOM 195 N ALA A 15 -15.764 -2.337 4.027 1.00 0.00 N ATOM 196 CA ALA A 15 -15.112 -3.033 5.171 1.00 0.00 C ATOM 197 C ALA A 15 -14.545 -4.372 4.693 1.00 0.00 C ATOM 198 O ALA A 15 -14.987 -5.425 5.109 1.00 0.00 O ATOM 199 CB ALA A 15 -16.227 -3.254 6.194 1.00 0.00 C ATOM 0 H ALA A 15 -16.630 -2.761 3.694 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.287 -2.461 5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.823 -3.764 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.641 -2.292 6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.013 -3.864 5.749 1.00 0.00 H new ATOM 205 N ALA A 16 -13.575 -4.347 3.814 1.00 0.00 N ATOM 206 CA ALA A 16 -13.005 -5.632 3.316 1.00 0.00 C ATOM 207 C ALA A 16 -11.867 -5.395 2.314 1.00 0.00 C ATOM 208 O ALA A 16 -10.785 -5.917 2.471 1.00 0.00 O ATOM 209 CB ALA A 16 -14.176 -6.336 2.631 1.00 0.00 C ATOM 0 H ALA A 16 -13.158 -3.502 3.424 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.575 -6.219 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.842 -7.295 2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.975 -6.501 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.547 -5.715 1.816 1.00 0.00 H new ATOM 215 N CYS A 17 -12.101 -4.634 1.273 1.00 0.00 N ATOM 216 CA CYS A 17 -11.015 -4.410 0.265 1.00 0.00 C ATOM 217 C CYS A 17 -9.977 -3.395 0.768 1.00 0.00 C ATOM 218 O CYS A 17 -8.793 -3.653 0.688 1.00 0.00 O ATOM 219 CB CYS A 17 -11.690 -3.892 -1.014 1.00 0.00 C ATOM 220 SG CYS A 17 -13.296 -4.691 -1.266 1.00 0.00 S ATOM 0 H CYS A 17 -12.984 -4.163 1.078 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.479 -5.341 0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -11.823 -2.812 -0.948 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -11.046 -4.082 -1.873 1.00 0.00 H new ATOM 0 HG CYS A 17 -13.174 -5.643 -2.143 1.00 0.00 H new ATOM 225 N PRO A 18 -10.433 -2.272 1.271 1.00 0.00 N ATOM 226 CA PRO A 18 -9.494 -1.239 1.777 1.00 0.00 C ATOM 227 C PRO A 18 -8.501 -1.874 2.745 1.00 0.00 C ATOM 228 O PRO A 18 -7.304 -1.788 2.576 1.00 0.00 O ATOM 229 CB PRO A 18 -10.440 -0.289 2.497 1.00 0.00 C ATOM 230 CG PRO A 18 -11.855 -0.559 1.991 1.00 0.00 C ATOM 231 CD PRO A 18 -11.881 -1.963 1.379 1.00 0.00 C ATOM 0 HA PRO A 18 -8.891 -0.752 1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.385 -0.441 3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.158 0.747 2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.572 -0.487 2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.142 0.185 1.248 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.405 -2.677 2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.376 -1.977 0.408 1.00 0.00 H new ATOM 239 N ILE A 19 -9.004 -2.506 3.761 1.00 0.00 N ATOM 240 CA ILE A 19 -8.114 -3.176 4.756 1.00 0.00 C ATOM 241 C ILE A 19 -7.210 -4.214 4.057 1.00 0.00 C ATOM 242 O ILE A 19 -6.117 -4.499 4.510 1.00 0.00 O ATOM 243 CB ILE A 19 -9.086 -3.854 5.736 1.00 0.00 C ATOM 244 CG1 ILE A 19 -9.374 -2.900 6.895 1.00 0.00 C ATOM 245 CG2 ILE A 19 -8.482 -5.147 6.293 1.00 0.00 C ATOM 246 CD1 ILE A 19 -10.882 -2.828 7.138 1.00 0.00 C ATOM 0 H ILE A 19 -10.002 -2.591 3.952 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.442 -2.481 5.260 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.006 -4.097 5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.866 -3.243 7.796 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.984 -1.908 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.187 -5.610 6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.274 -5.834 5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.555 -4.918 6.819 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.085 -2.147 7.965 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.379 -2.465 6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.259 -3.821 7.384 1.00 0.00 H new ATOM 258 N THR A 20 -7.647 -4.777 2.955 1.00 0.00 N ATOM 259 CA THR A 20 -6.797 -5.779 2.249 1.00 0.00 C ATOM 260 C THR A 20 -5.565 -5.078 1.709 1.00 0.00 C ATOM 261 O THR A 20 -4.526 -5.672 1.500 1.00 0.00 O ATOM 262 CB THR A 20 -7.649 -6.306 1.095 1.00 0.00 C ATOM 263 OG1 THR A 20 -8.863 -6.833 1.606 1.00 0.00 O ATOM 264 CG2 THR A 20 -6.885 -7.408 0.364 1.00 0.00 C ATOM 0 H THR A 20 -8.549 -4.586 2.519 1.00 0.00 H new ATOM 0 HA THR A 20 -6.474 -6.589 2.903 1.00 0.00 H new ATOM 0 HB THR A 20 -7.869 -5.493 0.403 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.484 -6.099 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.491 -7.786 -0.460 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.951 -7.005 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.667 -8.221 1.057 1.00 0.00 H new ATOM 272 N VAL A 21 -5.683 -3.805 1.495 1.00 0.00 N ATOM 273 CA VAL A 21 -4.541 -3.029 0.983 1.00 0.00 C ATOM 274 C VAL A 21 -3.486 -2.951 2.070 1.00 0.00 C ATOM 275 O VAL A 21 -2.304 -2.922 1.802 1.00 0.00 O ATOM 276 CB VAL A 21 -5.102 -1.641 0.679 1.00 0.00 C ATOM 277 CG1 VAL A 21 -3.991 -0.747 0.124 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.223 -1.762 -0.354 1.00 0.00 C ATOM 0 H VAL A 21 -6.534 -3.266 1.656 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.084 -3.472 0.098 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.495 -1.200 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.394 0.242 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.192 -0.661 0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.595 -1.185 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.625 -0.773 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.828 -2.204 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.016 -2.396 0.042 1.00 0.00 H new ATOM 288 N LYS A 22 -3.909 -2.939 3.305 1.00 0.00 N ATOM 289 CA LYS A 22 -2.929 -2.882 4.410 1.00 0.00 C ATOM 290 C LYS A 22 -2.204 -4.217 4.479 1.00 0.00 C ATOM 291 O LYS A 22 -1.007 -4.285 4.683 1.00 0.00 O ATOM 292 CB LYS A 22 -3.753 -2.642 5.676 1.00 0.00 C ATOM 293 CG LYS A 22 -2.909 -2.984 6.905 1.00 0.00 C ATOM 294 CD LYS A 22 -3.278 -2.047 8.057 1.00 0.00 C ATOM 295 CE LYS A 22 -2.680 -2.581 9.360 1.00 0.00 C ATOM 296 NZ LYS A 22 -3.423 -3.843 9.634 1.00 0.00 N ATOM 0 H LYS A 22 -4.888 -2.966 3.589 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.182 -2.099 4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.076 -1.602 5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.654 -3.255 5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.077 -4.020 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.849 -2.887 6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.904 -1.043 7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.362 -1.972 8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.611 -2.766 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.803 -1.866 10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.488 -3.991 10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.380 -3.777 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.920 -4.643 9.200 1.00 0.00 H new ATOM 310 N LYS A 23 -2.927 -5.283 4.293 1.00 0.00 N ATOM 311 CA LYS A 23 -2.284 -6.616 4.332 1.00 0.00 C ATOM 312 C LYS A 23 -1.366 -6.773 3.123 1.00 0.00 C ATOM 313 O LYS A 23 -0.459 -7.581 3.110 1.00 0.00 O ATOM 314 CB LYS A 23 -3.432 -7.625 4.283 1.00 0.00 C ATOM 315 CG LYS A 23 -2.884 -9.005 3.912 1.00 0.00 C ATOM 316 CD LYS A 23 -3.157 -9.282 2.432 1.00 0.00 C ATOM 317 CE LYS A 23 -3.212 -10.793 2.195 1.00 0.00 C ATOM 318 NZ LYS A 23 -1.892 -11.303 2.660 1.00 0.00 N ATOM 0 H LYS A 23 -3.932 -5.286 4.116 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.673 -6.760 5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.933 -7.669 5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.177 -7.309 3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.813 -9.048 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.353 -9.772 4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.099 -8.822 2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.375 -8.835 1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.030 -11.250 2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.375 -11.022 1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.602 -12.107 2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.183 -10.546 2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.969 -11.613 3.650 1.00 0.00 H new ATOM 332 N ALA A 24 -1.603 -5.995 2.108 1.00 0.00 N ATOM 333 CA ALA A 24 -0.764 -6.069 0.886 1.00 0.00 C ATOM 334 C ALA A 24 0.619 -5.467 1.153 1.00 0.00 C ATOM 335 O ALA A 24 1.633 -6.094 0.924 1.00 0.00 O ATOM 336 CB ALA A 24 -1.517 -5.250 -0.162 1.00 0.00 C ATOM 0 H ALA A 24 -2.352 -5.303 2.074 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.601 -7.096 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.959 -5.256 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.503 -5.685 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.627 -4.224 0.188 1.00 0.00 H new ATOM 342 N LEU A 25 0.670 -4.257 1.643 1.00 0.00 N ATOM 343 CA LEU A 25 1.996 -3.633 1.927 1.00 0.00 C ATOM 344 C LEU A 25 2.732 -4.463 2.975 1.00 0.00 C ATOM 345 O LEU A 25 3.944 -4.532 2.994 1.00 0.00 O ATOM 346 CB LEU A 25 1.691 -2.242 2.481 1.00 0.00 C ATOM 347 CG LEU A 25 0.610 -1.571 1.643 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.568 -1.249 2.553 1.00 0.00 C ATOM 349 CD2 LEU A 25 1.157 -0.279 1.032 1.00 0.00 C ATOM 0 H LEU A 25 -0.141 -3.677 1.858 1.00 0.00 H new ATOM 0 HA LEU A 25 2.623 -3.580 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.363 -2.319 3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.596 -1.634 2.477 1.00 0.00 H new ATOM 0 HG LEU A 25 0.294 -2.234 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.355 -0.767 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.952 -2.170 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.241 -0.579 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.381 0.198 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.468 0.397 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.013 -0.510 0.398 1.00 0.00 H new ATOM 361 N SER A 26 1.999 -5.102 3.845 1.00 0.00 N ATOM 362 CA SER A 26 2.646 -5.938 4.891 1.00 0.00 C ATOM 363 C SER A 26 3.177 -7.217 4.252 1.00 0.00 C ATOM 364 O SER A 26 4.132 -7.808 4.716 1.00 0.00 O ATOM 365 CB SER A 26 1.538 -6.257 5.893 1.00 0.00 C ATOM 366 OG SER A 26 1.563 -5.298 6.941 1.00 0.00 O ATOM 0 H SER A 26 0.980 -5.080 3.875 1.00 0.00 H new ATOM 0 HA SER A 26 3.485 -5.437 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.568 -6.245 5.396 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.676 -7.259 6.298 1.00 0.00 H new ATOM 0 HG SER A 26 0.852 -5.499 7.585 1.00 0.00 H new ATOM 372 N LYS A 27 2.566 -7.644 3.181 1.00 0.00 N ATOM 373 CA LYS A 27 3.046 -8.881 2.512 1.00 0.00 C ATOM 374 C LYS A 27 3.837 -8.528 1.248 1.00 0.00 C ATOM 375 O LYS A 27 4.220 -9.392 0.485 1.00 0.00 O ATOM 376 CB LYS A 27 1.790 -9.696 2.170 1.00 0.00 C ATOM 377 CG LYS A 27 0.902 -8.931 1.180 1.00 0.00 C ATOM 378 CD LYS A 27 1.511 -8.991 -0.223 1.00 0.00 C ATOM 379 CE LYS A 27 0.394 -8.931 -1.268 1.00 0.00 C ATOM 380 NZ LYS A 27 -0.178 -10.307 -1.298 1.00 0.00 N ATOM 0 H LYS A 27 1.762 -7.193 2.745 1.00 0.00 H new ATOM 0 HA LYS A 27 3.717 -9.452 3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.078 -10.656 1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.229 -9.909 3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.099 -9.361 1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.800 -7.893 1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.203 -8.161 -0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.086 -9.909 -0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.362 -8.195 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.782 -8.643 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.016 -10.730 -2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.282 -10.890 -0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.200 -10.262 -1.110 1.00 0.00 H new ATOM 394 N VAL A 28 4.091 -7.265 1.023 1.00 0.00 N ATOM 395 CA VAL A 28 4.864 -6.868 -0.190 1.00 0.00 C ATOM 396 C VAL A 28 6.213 -7.598 -0.207 1.00 0.00 C ATOM 397 O VAL A 28 6.399 -8.561 -0.923 1.00 0.00 O ATOM 398 CB VAL A 28 5.059 -5.349 -0.065 1.00 0.00 C ATOM 399 CG1 VAL A 28 6.325 -4.913 -0.811 1.00 0.00 C ATOM 400 CG2 VAL A 28 3.854 -4.629 -0.673 1.00 0.00 C ATOM 0 H VAL A 28 3.798 -6.495 1.624 1.00 0.00 H new ATOM 0 HA VAL A 28 4.352 -7.127 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 28 5.156 -5.094 0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.451 -3.835 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.191 -5.419 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.234 -5.175 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.991 -3.551 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.762 -4.898 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.948 -4.924 -0.143 1.00 0.00 H new ATOM 410 N GLU A 29 7.154 -7.142 0.577 1.00 0.00 N ATOM 411 CA GLU A 29 8.490 -7.805 0.604 1.00 0.00 C ATOM 412 C GLU A 29 9.437 -7.066 1.553 1.00 0.00 C ATOM 413 O GLU A 29 9.631 -7.459 2.685 1.00 0.00 O ATOM 414 CB GLU A 29 9.005 -7.715 -0.832 1.00 0.00 C ATOM 415 CG GLU A 29 8.889 -9.084 -1.497 1.00 0.00 C ATOM 416 CD GLU A 29 10.143 -9.361 -2.327 1.00 0.00 C ATOM 417 OE1 GLU A 29 11.126 -9.800 -1.751 1.00 0.00 O ATOM 418 OE2 GLU A 29 10.101 -9.132 -3.524 1.00 0.00 O ATOM 0 H GLU A 29 7.055 -6.340 1.199 1.00 0.00 H new ATOM 0 HA GLU A 29 8.427 -8.834 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.430 -6.977 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.043 -7.382 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.764 -9.858 -0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.005 -9.116 -2.134 1.00 0.00 H new ATOM 425 N GLY A 30 10.036 -6.004 1.091 1.00 0.00 N ATOM 426 CA GLY A 30 10.982 -5.240 1.955 1.00 0.00 C ATOM 427 C GLY A 30 10.208 -4.320 2.904 1.00 0.00 C ATOM 428 O GLY A 30 10.789 -3.623 3.711 1.00 0.00 O ATOM 0 H GLY A 30 9.912 -5.630 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.599 -5.930 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.657 -4.650 1.335 1.00 0.00 H new ATOM 432 N VAL A 31 8.906 -4.313 2.818 1.00 0.00 N ATOM 433 CA VAL A 31 8.103 -3.437 3.724 1.00 0.00 C ATOM 434 C VAL A 31 8.660 -3.479 5.142 1.00 0.00 C ATOM 435 O VAL A 31 8.944 -4.527 5.686 1.00 0.00 O ATOM 436 CB VAL A 31 6.687 -4.012 3.683 1.00 0.00 C ATOM 437 CG1 VAL A 31 6.624 -5.292 4.519 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.707 -2.984 4.253 1.00 0.00 C ATOM 0 H VAL A 31 8.363 -4.874 2.162 1.00 0.00 H new ATOM 0 HA VAL A 31 8.128 -2.393 3.411 1.00 0.00 H new ATOM 0 HB VAL A 31 6.420 -4.242 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.613 -5.698 4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.323 -6.025 4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.892 -5.066 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.696 -3.391 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.978 -2.755 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.748 -2.073 3.656 1.00 0.00 H new ATOM 448 N SER A 32 8.799 -2.337 5.742 1.00 0.00 N ATOM 449 CA SER A 32 9.317 -2.279 7.132 1.00 0.00 C ATOM 450 C SER A 32 8.185 -1.861 8.058 1.00 0.00 C ATOM 451 O SER A 32 8.236 -2.047 9.257 1.00 0.00 O ATOM 452 CB SER A 32 10.422 -1.223 7.109 1.00 0.00 C ATOM 453 OG SER A 32 11.664 -1.850 6.817 1.00 0.00 O ATOM 0 H SER A 32 8.574 -1.433 5.327 1.00 0.00 H new ATOM 0 HA SER A 32 9.700 -3.236 7.486 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.200 -0.464 6.359 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.475 -0.715 8.072 1.00 0.00 H new ATOM 0 HG SER A 32 11.804 -1.863 5.847 1.00 0.00 H new ATOM 459 N LYS A 33 7.155 -1.300 7.496 1.00 0.00 N ATOM 460 CA LYS A 33 5.999 -0.867 8.328 1.00 0.00 C ATOM 461 C LYS A 33 4.820 -0.533 7.414 1.00 0.00 C ATOM 462 O LYS A 33 4.995 -0.276 6.243 1.00 0.00 O ATOM 463 CB LYS A 33 6.504 0.371 9.079 1.00 0.00 C ATOM 464 CG LYS A 33 5.330 1.273 9.461 1.00 0.00 C ATOM 465 CD LYS A 33 5.626 1.952 10.801 1.00 0.00 C ATOM 466 CE LYS A 33 4.488 2.913 11.153 1.00 0.00 C ATOM 467 NZ LYS A 33 5.162 4.194 11.502 1.00 0.00 N ATOM 0 H LYS A 33 7.062 -1.122 6.496 1.00 0.00 H new ATOM 0 HA LYS A 33 5.651 -1.632 9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.044 0.066 9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.207 0.922 8.455 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.168 2.024 8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.414 0.686 9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.737 1.201 11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.569 2.495 10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.806 3.042 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.898 2.537 11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.446 4.905 11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.800 4.042 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.711 4.531 10.686 1.00 0.00 H new ATOM 481 N VAL A 34 3.619 -0.546 7.922 1.00 0.00 N ATOM 482 CA VAL A 34 2.458 -0.236 7.043 1.00 0.00 C ATOM 483 C VAL A 34 1.279 0.308 7.853 1.00 0.00 C ATOM 484 O VAL A 34 1.025 -0.102 8.968 1.00 0.00 O ATOM 485 CB VAL A 34 2.091 -1.570 6.389 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.687 -1.481 5.785 1.00 0.00 C ATOM 487 CG2 VAL A 34 3.099 -1.886 5.282 1.00 0.00 C ATOM 0 H VAL A 34 3.393 -0.755 8.894 1.00 0.00 H new ATOM 0 HA VAL A 34 2.702 0.532 6.309 1.00 0.00 H new ATOM 0 HB VAL A 34 2.111 -2.358 7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.430 -2.433 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.033 -1.254 6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.664 -0.692 5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.840 -2.836 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.077 -1.095 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.100 -1.953 5.709 1.00 0.00 H new ATOM 497 N ASP A 35 0.547 1.217 7.273 1.00 0.00 N ATOM 498 CA ASP A 35 -0.639 1.799 7.951 1.00 0.00 C ATOM 499 C ASP A 35 -1.716 1.989 6.890 1.00 0.00 C ATOM 500 O ASP A 35 -1.412 2.103 5.721 1.00 0.00 O ATOM 501 CB ASP A 35 -0.170 3.145 8.507 1.00 0.00 C ATOM 502 CG ASP A 35 -0.675 3.309 9.941 1.00 0.00 C ATOM 503 OD1 ASP A 35 -1.826 3.680 10.104 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.098 3.062 10.852 1.00 0.00 O ATOM 0 H ASP A 35 0.726 1.587 6.339 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.043 1.178 8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.918 3.200 8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.543 3.958 7.884 1.00 0.00 H new ATOM 509 N VAL A 36 -2.964 2.003 7.247 1.00 0.00 N ATOM 510 CA VAL A 36 -3.988 2.165 6.183 1.00 0.00 C ATOM 511 C VAL A 36 -5.288 2.755 6.715 1.00 0.00 C ATOM 512 O VAL A 36 -5.608 2.670 7.884 1.00 0.00 O ATOM 513 CB VAL A 36 -4.228 0.753 5.652 1.00 0.00 C ATOM 514 CG1 VAL A 36 -5.472 0.746 4.761 1.00 0.00 C ATOM 515 CG2 VAL A 36 -3.016 0.304 4.834 1.00 0.00 C ATOM 0 H VAL A 36 -3.315 1.912 8.200 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.644 2.857 5.414 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.377 0.071 6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.643 -0.262 4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.337 1.067 5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.324 1.428 3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.186 -0.704 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.869 0.987 3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.128 0.308 5.467 1.00 0.00 H new ATOM 525 N GLY A 37 -6.048 3.322 5.829 1.00 0.00 N ATOM 526 CA GLY A 37 -7.358 3.902 6.197 1.00 0.00 C ATOM 527 C GLY A 37 -8.392 3.238 5.302 1.00 0.00 C ATOM 528 O GLY A 37 -8.748 3.753 4.257 1.00 0.00 O ATOM 0 H GLY A 37 -5.808 3.409 4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.581 3.720 7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.358 4.983 6.054 1.00 0.00 H new ATOM 532 N PHE A 38 -8.816 2.060 5.680 1.00 0.00 N ATOM 533 CA PHE A 38 -9.784 1.292 4.853 1.00 0.00 C ATOM 534 C PHE A 38 -10.807 2.213 4.168 1.00 0.00 C ATOM 535 O PHE A 38 -10.515 2.813 3.153 1.00 0.00 O ATOM 536 CB PHE A 38 -10.475 0.279 5.802 1.00 0.00 C ATOM 537 CG PHE A 38 -10.378 0.705 7.264 1.00 0.00 C ATOM 538 CD1 PHE A 38 -11.333 1.569 7.826 1.00 0.00 C ATOM 539 CD2 PHE A 38 -9.329 0.220 8.060 1.00 0.00 C ATOM 540 CE1 PHE A 38 -11.235 1.941 9.173 1.00 0.00 C ATOM 541 CE2 PHE A 38 -9.234 0.596 9.405 1.00 0.00 C ATOM 542 CZ PHE A 38 -10.186 1.455 9.961 1.00 0.00 C ATOM 0 H PHE A 38 -8.526 1.594 6.540 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.269 0.774 4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.524 0.178 5.523 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.017 -0.703 5.680 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -12.143 1.946 7.219 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.593 -0.445 7.634 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.970 2.604 9.604 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.424 0.222 10.014 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.112 1.744 10.999 1.00 0.00 H new ATOM 552 N GLU A 39 -12.004 2.305 4.698 1.00 0.00 N ATOM 553 CA GLU A 39 -13.064 3.170 4.082 1.00 0.00 C ATOM 554 C GLU A 39 -12.442 4.354 3.336 1.00 0.00 C ATOM 555 O GLU A 39 -12.827 4.674 2.228 1.00 0.00 O ATOM 556 CB GLU A 39 -13.898 3.665 5.264 1.00 0.00 C ATOM 557 CG GLU A 39 -15.309 3.079 5.180 1.00 0.00 C ATOM 558 CD GLU A 39 -15.279 1.612 5.612 1.00 0.00 C ATOM 559 OE1 GLU A 39 -14.397 1.259 6.377 1.00 0.00 O ATOM 560 OE2 GLU A 39 -16.139 0.867 5.171 1.00 0.00 O ATOM 0 H GLU A 39 -12.296 1.812 5.542 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.660 2.624 3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.427 3.372 6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.945 4.754 5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.987 3.644 5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.688 3.161 4.162 1.00 0.00 H new ATOM 567 N LYS A 40 -11.470 4.992 3.926 1.00 0.00 N ATOM 568 CA LYS A 40 -10.809 6.139 3.241 1.00 0.00 C ATOM 569 C LYS A 40 -9.635 5.615 2.413 1.00 0.00 C ATOM 570 O LYS A 40 -8.528 6.099 2.525 1.00 0.00 O ATOM 571 CB LYS A 40 -10.315 7.047 4.368 1.00 0.00 C ATOM 572 CG LYS A 40 -11.507 7.774 4.994 1.00 0.00 C ATOM 573 CD LYS A 40 -11.685 7.317 6.444 1.00 0.00 C ATOM 574 CE LYS A 40 -11.297 8.457 7.389 1.00 0.00 C ATOM 575 NZ LYS A 40 -10.218 7.895 8.249 1.00 0.00 N ATOM 0 H LYS A 40 -11.105 4.770 4.852 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.477 6.674 2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.797 6.457 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.597 7.770 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.348 8.852 4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.412 7.567 4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.719 7.021 6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.066 6.442 6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.946 9.327 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.149 8.782 7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.900 8.619 8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.583 7.072 8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.417 7.601 7.654 1.00 0.00 H new ATOM 589 N ARG A 41 -9.895 4.613 1.604 1.00 0.00 N ATOM 590 CA ARG A 41 -8.842 3.976 0.741 1.00 0.00 C ATOM 591 C ARG A 41 -7.530 4.765 0.715 1.00 0.00 C ATOM 592 O ARG A 41 -7.221 5.446 -0.243 1.00 0.00 O ATOM 593 CB ARG A 41 -9.455 3.928 -0.657 1.00 0.00 C ATOM 594 CG ARG A 41 -9.697 5.350 -1.172 1.00 0.00 C ATOM 595 CD ARG A 41 -8.831 5.598 -2.409 1.00 0.00 C ATOM 596 NE ARG A 41 -8.177 6.922 -2.164 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.878 7.978 -1.845 1.00 0.00 C ATOM 598 NH1 ARG A 41 -10.184 7.959 -1.914 1.00 0.00 N ATOM 599 NH2 ARG A 41 -8.266 9.080 -1.508 1.00 0.00 N ATOM 0 H ARG A 41 -10.821 4.197 1.503 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.576 2.993 1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.790 3.395 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.395 3.376 -0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.750 5.485 -1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.457 6.076 -0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.090 4.809 -2.537 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.435 5.618 -3.316 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.164 7.002 -2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.666 7.114 -2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.720 8.789 -1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.247 9.114 -1.495 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.807 9.908 -1.258 1.00 0.00 H new ATOM 613 N GLU A 42 -6.749 4.665 1.755 1.00 0.00 N ATOM 614 CA GLU A 42 -5.444 5.401 1.781 1.00 0.00 C ATOM 615 C GLU A 42 -4.416 4.630 2.621 1.00 0.00 C ATOM 616 O GLU A 42 -4.532 4.550 3.825 1.00 0.00 O ATOM 617 CB GLU A 42 -5.765 6.751 2.427 1.00 0.00 C ATOM 618 CG GLU A 42 -4.559 7.683 2.295 1.00 0.00 C ATOM 619 CD GLU A 42 -3.555 7.383 3.410 1.00 0.00 C ATOM 620 OE1 GLU A 42 -3.936 7.480 4.565 1.00 0.00 O ATOM 621 OE2 GLU A 42 -2.422 7.063 3.090 1.00 0.00 O ATOM 0 H GLU A 42 -6.952 4.110 2.586 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.014 5.517 0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.636 7.197 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.016 6.612 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.088 7.549 1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.882 8.723 2.352 1.00 0.00 H new ATOM 628 N ALA A 43 -3.414 4.053 2.003 1.00 0.00 N ATOM 629 CA ALA A 43 -2.409 3.280 2.792 1.00 0.00 C ATOM 630 C ALA A 43 -1.055 3.995 2.827 1.00 0.00 C ATOM 631 O ALA A 43 -0.484 4.315 1.808 1.00 0.00 O ATOM 632 CB ALA A 43 -2.286 1.945 2.058 1.00 0.00 C ATOM 0 H ALA A 43 -3.251 4.084 0.997 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.716 3.163 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.564 1.312 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.256 1.449 2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.950 2.121 1.036 1.00 0.00 H new ATOM 638 N VAL A 44 -0.522 4.212 3.997 1.00 0.00 N ATOM 639 CA VAL A 44 0.805 4.878 4.105 1.00 0.00 C ATOM 640 C VAL A 44 1.819 3.821 4.533 1.00 0.00 C ATOM 641 O VAL A 44 1.656 3.167 5.540 1.00 0.00 O ATOM 642 CB VAL A 44 0.599 5.975 5.161 1.00 0.00 C ATOM 643 CG1 VAL A 44 1.717 5.955 6.213 1.00 0.00 C ATOM 644 CG2 VAL A 44 0.592 7.333 4.463 1.00 0.00 C ATOM 0 H VAL A 44 -0.951 3.955 4.886 1.00 0.00 H new ATOM 0 HA VAL A 44 1.178 5.318 3.180 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.349 5.796 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.542 6.743 6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.726 4.988 6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.678 6.120 5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.446 8.121 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.543 7.485 3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.219 7.364 3.735 1.00 0.00 H new ATOM 654 N VAL A 45 2.830 3.601 3.745 1.00 0.00 N ATOM 655 CA VAL A 45 3.796 2.520 4.094 1.00 0.00 C ATOM 656 C VAL A 45 5.249 2.982 4.150 1.00 0.00 C ATOM 657 O VAL A 45 5.661 3.923 3.504 1.00 0.00 O ATOM 658 CB VAL A 45 3.630 1.510 2.963 1.00 0.00 C ATOM 659 CG1 VAL A 45 3.985 2.174 1.631 1.00 0.00 C ATOM 660 CG2 VAL A 45 4.555 0.314 3.195 1.00 0.00 C ATOM 0 H VAL A 45 3.031 4.113 2.886 1.00 0.00 H new ATOM 0 HA VAL A 45 3.588 2.132 5.091 1.00 0.00 H new ATOM 0 HB VAL A 45 2.596 1.166 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.867 1.453 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.323 3.023 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.018 2.520 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.432 -0.404 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.590 0.655 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.303 -0.162 4.143 1.00 0.00 H new ATOM 670 N THR A 46 6.028 2.252 4.893 1.00 0.00 N ATOM 671 CA THR A 46 7.482 2.520 5.004 1.00 0.00 C ATOM 672 C THR A 46 8.181 1.249 4.545 1.00 0.00 C ATOM 673 O THR A 46 7.616 0.178 4.639 1.00 0.00 O ATOM 674 CB THR A 46 7.746 2.776 6.489 1.00 0.00 C ATOM 675 OG1 THR A 46 7.473 4.137 6.792 1.00 0.00 O ATOM 676 CG2 THR A 46 9.211 2.459 6.809 1.00 0.00 C ATOM 0 H THR A 46 5.705 1.457 5.444 1.00 0.00 H new ATOM 0 HA THR A 46 7.830 3.366 4.412 1.00 0.00 H new ATOM 0 HB THR A 46 7.099 2.137 7.090 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.641 4.300 7.744 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.400 2.641 7.867 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.416 1.413 6.579 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.861 3.097 6.209 1.00 0.00 H new ATOM 684 N PHE A 47 9.375 1.321 4.042 1.00 0.00 N ATOM 685 CA PHE A 47 10.014 0.065 3.596 1.00 0.00 C ATOM 686 C PHE A 47 11.458 0.290 3.213 1.00 0.00 C ATOM 687 O PHE A 47 11.958 1.393 3.250 1.00 0.00 O ATOM 688 CB PHE A 47 9.208 -0.370 2.375 1.00 0.00 C ATOM 689 CG PHE A 47 9.399 0.636 1.268 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.503 0.535 0.410 1.00 0.00 C ATOM 691 CD2 PHE A 47 8.472 1.673 1.095 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.679 1.468 -0.616 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.650 2.605 0.069 1.00 0.00 C ATOM 694 CZ PHE A 47 9.752 2.502 -0.785 1.00 0.00 C ATOM 0 H PHE A 47 9.923 2.173 3.923 1.00 0.00 H new ATOM 0 HA PHE A 47 10.019 -0.685 4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.531 -1.357 2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.152 -0.449 2.632 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.218 -0.264 0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.620 1.752 1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.529 1.391 -1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.936 3.405 -0.064 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.888 3.223 -1.578 1.00 0.00 H new ATOM 704 N ASP A 48 12.104 -0.765 2.809 1.00 0.00 N ATOM 705 CA ASP A 48 13.518 -0.682 2.367 1.00 0.00 C ATOM 706 C ASP A 48 13.532 -0.822 0.849 1.00 0.00 C ATOM 707 O ASP A 48 13.192 -1.855 0.310 1.00 0.00 O ATOM 708 CB ASP A 48 14.218 -1.873 3.024 1.00 0.00 C ATOM 709 CG ASP A 48 13.871 -1.915 4.512 1.00 0.00 C ATOM 710 OD1 ASP A 48 14.513 -1.207 5.269 1.00 0.00 O ATOM 711 OD2 ASP A 48 12.969 -2.655 4.870 1.00 0.00 O ATOM 0 H ASP A 48 11.701 -1.701 2.766 1.00 0.00 H new ATOM 0 HA ASP A 48 14.009 0.253 2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.909 -2.800 2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.297 -1.790 2.894 1.00 0.00 H new ATOM 716 N ASP A 49 13.881 0.219 0.152 1.00 0.00 N ATOM 717 CA ASP A 49 13.868 0.150 -1.335 1.00 0.00 C ATOM 718 C ASP A 49 14.863 -0.905 -1.846 1.00 0.00 C ATOM 719 O ASP A 49 14.889 -1.222 -3.018 1.00 0.00 O ATOM 720 CB ASP A 49 14.238 1.565 -1.797 1.00 0.00 C ATOM 721 CG ASP A 49 14.920 1.518 -3.168 1.00 0.00 C ATOM 722 OD1 ASP A 49 14.232 1.259 -4.141 1.00 0.00 O ATOM 723 OD2 ASP A 49 16.118 1.741 -3.218 1.00 0.00 O ATOM 0 H ASP A 49 14.174 1.113 0.545 1.00 0.00 H new ATOM 0 HA ASP A 49 12.899 -0.155 -1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.342 2.183 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.903 2.030 -1.069 1.00 0.00 H new ATOM 728 N THR A 50 15.673 -1.456 -0.982 1.00 0.00 N ATOM 729 CA THR A 50 16.647 -2.492 -1.436 1.00 0.00 C ATOM 730 C THR A 50 15.912 -3.795 -1.778 1.00 0.00 C ATOM 731 O THR A 50 16.479 -4.712 -2.339 1.00 0.00 O ATOM 732 CB THR A 50 17.594 -2.699 -0.247 1.00 0.00 C ATOM 733 OG1 THR A 50 18.788 -3.323 -0.699 1.00 0.00 O ATOM 734 CG2 THR A 50 16.923 -3.585 0.806 1.00 0.00 C ATOM 0 H THR A 50 15.703 -1.235 0.013 1.00 0.00 H new ATOM 0 HA THR A 50 17.186 -2.188 -2.333 1.00 0.00 H new ATOM 0 HB THR A 50 17.830 -1.732 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 50 19.395 -3.455 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 50 17.601 -3.728 1.647 1.00 0.00 H new ATOM 0 HG22 THR A 50 16.008 -3.106 1.155 1.00 0.00 H new ATOM 0 HG23 THR A 50 16.681 -4.553 0.367 1.00 0.00 H new ATOM 742 N LYS A 51 14.654 -3.882 -1.441 1.00 0.00 N ATOM 743 CA LYS A 51 13.881 -5.123 -1.741 1.00 0.00 C ATOM 744 C LYS A 51 12.543 -4.770 -2.384 1.00 0.00 C ATOM 745 O LYS A 51 12.083 -5.419 -3.303 1.00 0.00 O ATOM 746 CB LYS A 51 13.665 -5.789 -0.382 1.00 0.00 C ATOM 747 CG LYS A 51 14.567 -7.020 -0.263 1.00 0.00 C ATOM 748 CD LYS A 51 14.312 -7.712 1.078 1.00 0.00 C ATOM 749 CE LYS A 51 14.277 -9.228 0.874 1.00 0.00 C ATOM 750 NZ LYS A 51 15.505 -9.734 1.548 1.00 0.00 N ATOM 0 H LYS A 51 14.127 -3.147 -0.970 1.00 0.00 H new ATOM 0 HA LYS A 51 14.403 -5.778 -2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.888 -5.084 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.620 -6.079 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.369 -7.710 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.614 -6.726 -0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.095 -7.449 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.368 -7.370 1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.379 -9.665 1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.274 -9.484 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.553 -10.768 1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.344 -9.306 1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.477 -9.481 2.556 1.00 0.00 H new ATOM 764 N ALA A 52 11.924 -3.739 -1.901 1.00 0.00 N ATOM 765 CA ALA A 52 10.611 -3.308 -2.463 1.00 0.00 C ATOM 766 C ALA A 52 10.697 -1.851 -2.913 1.00 0.00 C ATOM 767 O ALA A 52 11.763 -1.273 -2.966 1.00 0.00 O ATOM 768 CB ALA A 52 9.617 -3.456 -1.312 1.00 0.00 C ATOM 0 H ALA A 52 12.271 -3.166 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 52 10.314 -3.898 -3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.624 -3.157 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.591 -4.495 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.925 -2.821 -0.481 1.00 0.00 H new ATOM 774 N SER A 53 9.589 -1.250 -3.244 1.00 0.00 N ATOM 775 CA SER A 53 9.623 0.173 -3.692 1.00 0.00 C ATOM 776 C SER A 53 8.206 0.738 -3.769 1.00 0.00 C ATOM 777 O SER A 53 7.248 0.015 -3.954 1.00 0.00 O ATOM 778 CB SER A 53 10.253 0.153 -5.090 1.00 0.00 C ATOM 779 OG SER A 53 10.966 -1.061 -5.284 1.00 0.00 O ATOM 0 H SER A 53 8.664 -1.679 -3.225 1.00 0.00 H new ATOM 0 HA SER A 53 10.188 0.797 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.477 0.254 -5.849 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.926 1.002 -5.207 1.00 0.00 H new ATOM 0 HG SER A 53 11.771 -1.060 -4.725 1.00 0.00 H new ATOM 785 N VAL A 54 8.069 2.027 -3.635 1.00 0.00 N ATOM 786 CA VAL A 54 6.719 2.652 -3.711 1.00 0.00 C ATOM 787 C VAL A 54 5.909 2.002 -4.831 1.00 0.00 C ATOM 788 O VAL A 54 4.700 1.900 -4.758 1.00 0.00 O ATOM 789 CB VAL A 54 6.988 4.127 -4.011 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.547 4.270 -5.428 1.00 0.00 C ATOM 791 CG2 VAL A 54 5.685 4.918 -3.899 1.00 0.00 C ATOM 0 H VAL A 54 8.838 2.678 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 54 6.143 2.527 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 54 7.712 4.513 -3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.738 5.322 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.478 3.709 -5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.824 3.881 -6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.878 5.969 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.961 4.529 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.286 4.821 -2.889 1.00 0.00 H new ATOM 801 N GLN A 55 6.565 1.542 -5.857 1.00 0.00 N ATOM 802 CA GLN A 55 5.827 0.877 -6.961 1.00 0.00 C ATOM 803 C GLN A 55 5.296 -0.468 -6.467 1.00 0.00 C ATOM 804 O GLN A 55 4.133 -0.783 -6.619 1.00 0.00 O ATOM 805 CB GLN A 55 6.857 0.675 -8.072 1.00 0.00 C ATOM 806 CG GLN A 55 6.253 -0.203 -9.169 1.00 0.00 C ATOM 807 CD GLN A 55 6.995 0.035 -10.484 1.00 0.00 C ATOM 808 OE1 GLN A 55 6.831 1.063 -11.111 1.00 0.00 O ATOM 809 NE2 GLN A 55 7.811 -0.879 -10.932 1.00 0.00 N ATOM 0 H GLN A 55 7.576 1.598 -5.978 1.00 0.00 H new ATOM 0 HA GLN A 55 4.976 1.461 -7.312 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.157 1.638 -8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.756 0.207 -7.670 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.321 -1.254 -8.886 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.194 0.026 -9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.949 -1.742 -10.406 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.311 -0.731 -11.808 1.00 0.00 H new ATOM 818 N LYS A 56 6.144 -1.262 -5.869 1.00 0.00 N ATOM 819 CA LYS A 56 5.697 -2.586 -5.357 1.00 0.00 C ATOM 820 C LYS A 56 4.623 -2.417 -4.274 1.00 0.00 C ATOM 821 O LYS A 56 3.842 -3.316 -4.032 1.00 0.00 O ATOM 822 CB LYS A 56 6.954 -3.230 -4.774 1.00 0.00 C ATOM 823 CG LYS A 56 8.046 -3.270 -5.846 1.00 0.00 C ATOM 824 CD LYS A 56 8.847 -4.567 -5.715 1.00 0.00 C ATOM 825 CE LYS A 56 8.458 -5.527 -6.842 1.00 0.00 C ATOM 826 NZ LYS A 56 9.711 -5.736 -7.620 1.00 0.00 N ATOM 0 H LYS A 56 7.129 -1.048 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 56 5.250 -3.197 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.299 -2.664 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.732 -4.239 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.598 -3.206 -6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.707 -2.410 -5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.915 -4.353 -5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.654 -5.029 -4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.078 -6.468 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.671 -5.104 -7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.524 -6.384 -8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.045 -4.824 -7.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.440 -6.146 -7.001 1.00 0.00 H new ATOM 840 N LEU A 57 4.552 -1.278 -3.628 1.00 0.00 N ATOM 841 CA LEU A 57 3.496 -1.102 -2.590 1.00 0.00 C ATOM 842 C LEU A 57 2.148 -0.964 -3.300 1.00 0.00 C ATOM 843 O LEU A 57 1.199 -1.677 -3.023 1.00 0.00 O ATOM 844 CB LEU A 57 3.862 0.184 -1.845 1.00 0.00 C ATOM 845 CG LEU A 57 5.322 0.126 -1.372 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.708 1.481 -0.787 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.482 -0.945 -0.292 1.00 0.00 C ATOM 0 H LEU A 57 5.168 -0.478 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 57 3.428 -1.939 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.718 1.045 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.200 0.318 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 57 5.964 -0.118 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.744 1.449 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.599 2.251 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.057 1.712 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.521 -0.978 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.841 -0.705 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.199 -1.916 -0.698 1.00 0.00 H new ATOM 859 N THR A 58 2.081 -0.074 -4.250 1.00 0.00 N ATOM 860 CA THR A 58 0.828 0.101 -5.028 1.00 0.00 C ATOM 861 C THR A 58 0.586 -1.169 -5.832 1.00 0.00 C ATOM 862 O THR A 58 -0.512 -1.447 -6.267 1.00 0.00 O ATOM 863 CB THR A 58 1.098 1.278 -5.963 1.00 0.00 C ATOM 864 OG1 THR A 58 2.052 2.141 -5.367 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.203 2.042 -6.218 1.00 0.00 C ATOM 0 H THR A 58 2.847 0.543 -4.521 1.00 0.00 H new ATOM 0 HA THR A 58 -0.046 0.285 -4.403 1.00 0.00 H new ATOM 0 HB THR A 58 1.486 0.908 -6.912 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.834 2.218 -5.952 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.007 2.881 -6.885 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.932 1.375 -6.678 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.597 2.415 -5.273 1.00 0.00 H new ATOM 873 N LYS A 59 1.617 -1.948 -6.018 1.00 0.00 N ATOM 874 CA LYS A 59 1.466 -3.216 -6.772 1.00 0.00 C ATOM 875 C LYS A 59 0.934 -4.288 -5.827 1.00 0.00 C ATOM 876 O LYS A 59 0.314 -5.246 -6.244 1.00 0.00 O ATOM 877 CB LYS A 59 2.872 -3.570 -7.256 1.00 0.00 C ATOM 878 CG LYS A 59 2.816 -3.971 -8.731 1.00 0.00 C ATOM 879 CD LYS A 59 3.623 -2.972 -9.562 1.00 0.00 C ATOM 880 CE LYS A 59 2.721 -2.348 -10.629 1.00 0.00 C ATOM 881 NZ LYS A 59 2.434 -0.972 -10.134 1.00 0.00 N ATOM 0 H LYS A 59 2.559 -1.756 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 59 0.772 -3.134 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.539 -2.718 -7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.278 -4.388 -6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.217 -4.976 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.782 -3.994 -9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.033 -2.194 -8.918 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.468 -3.474 -10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.217 -2.323 -11.599 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.803 -2.922 -10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.667 -0.553 -10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.146 -1.015 -9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.289 -0.386 -10.223 1.00 0.00 H new ATOM 895 N ALA A 60 1.157 -4.125 -4.548 1.00 0.00 N ATOM 896 CA ALA A 60 0.642 -5.130 -3.581 1.00 0.00 C ATOM 897 C ALA A 60 -0.870 -4.979 -3.469 1.00 0.00 C ATOM 898 O ALA A 60 -1.604 -5.948 -3.486 1.00 0.00 O ATOM 899 CB ALA A 60 1.325 -4.809 -2.252 1.00 0.00 C ATOM 0 H ALA A 60 1.670 -3.345 -4.137 1.00 0.00 H new ATOM 0 HA ALA A 60 0.849 -6.156 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.990 -5.514 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.406 -4.889 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.067 -3.795 -1.946 1.00 0.00 H new ATOM 905 N THR A 61 -1.349 -3.768 -3.396 1.00 0.00 N ATOM 906 CA THR A 61 -2.823 -3.574 -3.334 1.00 0.00 C ATOM 907 C THR A 61 -3.370 -3.786 -4.736 1.00 0.00 C ATOM 908 O THR A 61 -4.407 -4.392 -4.937 1.00 0.00 O ATOM 909 CB THR A 61 -3.033 -2.138 -2.864 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.426 -1.869 -2.787 1.00 0.00 O ATOM 911 CG2 THR A 61 -2.376 -1.159 -3.840 1.00 0.00 C ATOM 0 H THR A 61 -0.791 -2.914 -3.377 1.00 0.00 H new ATOM 0 HA THR A 61 -3.330 -4.264 -2.660 1.00 0.00 H new ATOM 0 HB THR A 61 -2.577 -2.014 -1.882 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.708 -1.372 -3.584 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.534 -0.138 -3.492 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.307 -1.363 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.819 -1.278 -4.829 1.00 0.00 H new ATOM 919 N ALA A 62 -2.644 -3.328 -5.716 1.00 0.00 N ATOM 920 CA ALA A 62 -3.086 -3.542 -7.110 1.00 0.00 C ATOM 921 C ALA A 62 -3.127 -5.045 -7.350 1.00 0.00 C ATOM 922 O ALA A 62 -3.877 -5.541 -8.168 1.00 0.00 O ATOM 923 CB ALA A 62 -2.024 -2.877 -7.985 1.00 0.00 C ATOM 0 H ALA A 62 -1.768 -2.817 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.070 -3.127 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.290 -2.998 -9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.968 -1.815 -7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.056 -3.343 -7.800 1.00 0.00 H new ATOM 929 N ASP A 63 -2.332 -5.779 -6.612 1.00 0.00 N ATOM 930 CA ASP A 63 -2.333 -7.254 -6.763 1.00 0.00 C ATOM 931 C ASP A 63 -3.455 -7.834 -5.907 1.00 0.00 C ATOM 932 O ASP A 63 -3.973 -8.898 -6.181 1.00 0.00 O ATOM 933 CB ASP A 63 -0.963 -7.717 -6.261 1.00 0.00 C ATOM 934 CG ASP A 63 -1.021 -9.205 -5.901 1.00 0.00 C ATOM 935 OD1 ASP A 63 -1.661 -9.946 -6.630 1.00 0.00 O ATOM 936 OD2 ASP A 63 -0.427 -9.576 -4.903 1.00 0.00 O ATOM 0 H ASP A 63 -1.685 -5.414 -5.913 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.499 -7.578 -7.790 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.208 -7.548 -7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.668 -7.133 -5.389 1.00 0.00 H new ATOM 941 N ALA A 64 -3.859 -7.124 -4.887 1.00 0.00 N ATOM 942 CA ALA A 64 -4.970 -7.627 -4.045 1.00 0.00 C ATOM 943 C ALA A 64 -6.254 -7.527 -4.856 1.00 0.00 C ATOM 944 O ALA A 64 -7.245 -8.166 -4.565 1.00 0.00 O ATOM 945 CB ALA A 64 -5.014 -6.695 -2.836 1.00 0.00 C ATOM 0 H ALA A 64 -3.468 -6.225 -4.606 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.845 -8.663 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.815 -7.006 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.061 -6.739 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.197 -5.674 -3.170 1.00 0.00 H new ATOM 951 N GLY A 65 -6.232 -6.718 -5.881 1.00 0.00 N ATOM 952 CA GLY A 65 -7.436 -6.557 -6.728 1.00 0.00 C ATOM 953 C GLY A 65 -7.969 -5.142 -6.557 1.00 0.00 C ATOM 954 O GLY A 65 -9.150 -4.891 -6.691 1.00 0.00 O ATOM 0 H GLY A 65 -5.426 -6.162 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.190 -6.744 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.197 -7.284 -6.445 1.00 0.00 H new ATOM 958 N TYR A 66 -7.104 -4.212 -6.256 1.00 0.00 N ATOM 959 CA TYR A 66 -7.564 -2.813 -6.063 1.00 0.00 C ATOM 960 C TYR A 66 -6.629 -1.848 -6.792 1.00 0.00 C ATOM 961 O TYR A 66 -5.689 -1.344 -6.212 1.00 0.00 O ATOM 962 CB TYR A 66 -7.506 -2.596 -4.549 1.00 0.00 C ATOM 963 CG TYR A 66 -8.239 -3.726 -3.871 1.00 0.00 C ATOM 964 CD1 TYR A 66 -9.524 -4.071 -4.304 1.00 0.00 C ATOM 965 CD2 TYR A 66 -7.633 -4.443 -2.827 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.205 -5.133 -3.700 1.00 0.00 C ATOM 967 CE2 TYR A 66 -8.318 -5.501 -2.219 1.00 0.00 C ATOM 968 CZ TYR A 66 -9.603 -5.847 -2.656 1.00 0.00 C ATOM 969 OH TYR A 66 -10.275 -6.896 -2.061 1.00 0.00 O ATOM 0 H TYR A 66 -6.102 -4.362 -6.136 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.563 -2.637 -6.461 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.470 -2.561 -4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.959 -1.640 -4.286 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.990 -3.517 -5.105 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.640 -4.179 -2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.195 -5.402 -4.038 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.856 -6.051 -1.413 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.716 -7.284 -1.356 1.00 0.00 H new ATOM 979 N PRO A 67 -6.921 -1.614 -8.048 1.00 0.00 N ATOM 980 CA PRO A 67 -6.094 -0.696 -8.852 1.00 0.00 C ATOM 981 C PRO A 67 -5.932 0.621 -8.101 1.00 0.00 C ATOM 982 O PRO A 67 -6.819 1.451 -8.082 1.00 0.00 O ATOM 983 CB PRO A 67 -6.925 -0.527 -10.127 1.00 0.00 C ATOM 984 CG PRO A 67 -8.103 -1.521 -10.078 1.00 0.00 C ATOM 985 CD PRO A 67 -8.083 -2.240 -8.721 1.00 0.00 C ATOM 0 HA PRO A 67 -5.085 -1.052 -9.060 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.295 0.495 -10.205 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.310 -0.712 -11.008 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.048 -0.994 -10.213 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.022 -2.244 -10.890 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.007 -2.084 -8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.956 -3.317 -8.833 1.00 0.00 H new ATOM 993 N SER A 68 -4.818 0.806 -7.455 1.00 0.00 N ATOM 994 CA SER A 68 -4.623 2.060 -6.675 1.00 0.00 C ATOM 995 C SER A 68 -3.622 2.996 -7.355 1.00 0.00 C ATOM 996 O SER A 68 -3.246 2.813 -8.496 1.00 0.00 O ATOM 997 CB SER A 68 -4.079 1.597 -5.324 1.00 0.00 C ATOM 998 OG SER A 68 -3.035 0.655 -5.537 1.00 0.00 O ATOM 0 H SER A 68 -4.038 0.149 -7.432 1.00 0.00 H new ATOM 0 HA SER A 68 -5.552 2.623 -6.586 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.705 2.450 -4.758 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.876 1.146 -4.733 1.00 0.00 H new ATOM 0 HG SER A 68 -2.229 0.946 -5.061 1.00 0.00 H new ATOM 1004 N SER A 69 -3.196 4.001 -6.645 1.00 0.00 N ATOM 1005 CA SER A 69 -2.225 4.980 -7.195 1.00 0.00 C ATOM 1006 C SER A 69 -1.402 5.518 -6.033 1.00 0.00 C ATOM 1007 O SER A 69 -1.937 5.915 -5.019 1.00 0.00 O ATOM 1008 CB SER A 69 -3.077 6.083 -7.820 1.00 0.00 C ATOM 1009 OG SER A 69 -3.378 5.738 -9.166 1.00 0.00 O ATOM 0 H SER A 69 -3.488 4.187 -5.686 1.00 0.00 H new ATOM 0 HA SER A 69 -1.542 4.557 -7.932 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.998 6.214 -7.251 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.544 7.033 -7.786 1.00 0.00 H new ATOM 0 HG SER A 69 -3.339 4.764 -9.271 1.00 0.00 H new ATOM 1015 N VAL A 70 -0.113 5.509 -6.146 1.00 0.00 N ATOM 1016 CA VAL A 70 0.717 5.986 -5.019 1.00 0.00 C ATOM 1017 C VAL A 70 1.170 7.415 -5.248 1.00 0.00 C ATOM 1018 O VAL A 70 1.194 7.899 -6.363 1.00 0.00 O ATOM 1019 CB VAL A 70 1.895 5.029 -5.005 1.00 0.00 C ATOM 1020 CG1 VAL A 70 2.573 5.033 -6.378 1.00 0.00 C ATOM 1021 CG2 VAL A 70 2.900 5.458 -3.937 1.00 0.00 C ATOM 0 H VAL A 70 0.402 5.193 -6.968 1.00 0.00 H new ATOM 0 HA VAL A 70 0.179 5.997 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 70 1.538 4.024 -4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.419 4.346 -6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.858 4.717 -7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.925 6.039 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.743 4.767 -3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.257 6.464 -4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.418 5.449 -2.959 1.00 0.00 H new ATOM 1031 N LYS A 71 1.522 8.103 -4.203 1.00 0.00 N ATOM 1032 CA LYS A 71 1.960 9.512 -4.391 1.00 0.00 C ATOM 1033 C LYS A 71 3.182 9.822 -3.531 1.00 0.00 C ATOM 1034 O LYS A 71 3.259 10.849 -2.886 1.00 0.00 O ATOM 1035 CB LYS A 71 0.762 10.367 -3.971 1.00 0.00 C ATOM 1036 CG LYS A 71 0.105 9.754 -2.734 1.00 0.00 C ATOM 1037 CD LYS A 71 -0.631 10.840 -1.952 1.00 0.00 C ATOM 1038 CE LYS A 71 -2.119 10.809 -2.311 1.00 0.00 C ATOM 1039 NZ LYS A 71 -2.725 9.840 -1.354 1.00 0.00 N ATOM 0 H LYS A 71 1.527 7.760 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 71 2.255 9.710 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.086 11.385 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.041 10.427 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.592 8.970 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.861 9.286 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.501 10.683 -0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.210 11.818 -2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.570 11.796 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.270 10.492 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.746 9.764 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.281 8.908 -1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.572 10.172 -0.380 1.00 0.00 H new ATOM 1053 N GLN A 72 4.142 8.945 -3.534 1.00 0.00 N ATOM 1054 CA GLN A 72 5.377 9.179 -2.732 1.00 0.00 C ATOM 1055 C GLN A 72 5.022 9.487 -1.274 1.00 0.00 C ATOM 1056 O GLN A 72 3.849 9.659 -0.992 1.00 0.00 O ATOM 1057 CB GLN A 72 6.042 10.390 -3.385 1.00 0.00 C ATOM 1058 CG GLN A 72 7.516 10.082 -3.656 1.00 0.00 C ATOM 1059 CD GLN A 72 7.887 10.548 -5.066 1.00 0.00 C ATOM 1060 OE1 GLN A 72 7.310 11.608 -5.564 1.00 0.00 O flip ATOM 1061 NE2 GLN A 72 8.710 9.941 -5.721 1.00 0.00 N flip ATOM 1062 OXT GLN A 72 5.932 9.545 -0.465 1.00 0.00 O ATOM 0 H GLN A 72 4.127 8.071 -4.059 1.00 0.00 H new ATOM 0 HA GLN A 72 6.029 8.306 -2.718 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.534 10.638 -4.317 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.956 11.260 -2.734 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.144 10.583 -2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.699 9.012 -3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.161 9.113 -5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.950 10.259 -6.660 1.00 0.00 H new