USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 503 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 45 GLN : amide:sc= -1.19 K(o=-1.9,f=-0.15) USER MOD Set 1.2: A 67 GLN : amide:sc= -0.681 K(o=-1.9,f=-0.33) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.169 K(o=-0.17,f=-2.3!) USER MOD Single : A 15 ASN : amide:sc= -0.039 X(o=-0.039,f=0.093) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 22 SER OG : rot 46:sc= 0.585 USER MOD Single : A 23 GLN : amide:sc= -0.456 K(o=-0.46,f=-2.7!) USER MOD Single : A 29 SER OG : rot -19:sc= 0.949 USER MOD Single : A 32 GLN : amide:sc= -8.52! C(o=-8.5!,f=-17!) USER MOD Single : A 34 GLN : amide:sc= -0.631 K(o=-0.63,f=-2.1!) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0629) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 23:sc= 1.2 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.045 -13.166 -31.612 1.00 0.00 N ATOM 2 CA GLY A 1 25.924 -13.737 -30.282 1.00 0.00 C ATOM 3 C GLY A 1 24.762 -14.730 -30.215 1.00 0.00 C ATOM 4 O GLY A 1 24.931 -15.910 -30.519 1.00 0.00 O ATOM 0 H1 GLY A 1 26.840 -12.496 -31.631 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.216 -13.926 -32.302 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.166 -12.667 -31.857 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.853 -14.240 -30.012 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.769 -12.941 -29.553 1.00 0.00 H new ATOM 8 N SER A 2 23.608 -14.216 -29.814 1.00 0.00 N ATOM 9 CA SER A 2 22.419 -15.043 -29.704 1.00 0.00 C ATOM 10 C SER A 2 21.204 -14.288 -30.245 1.00 0.00 C ATOM 11 O SER A 2 21.084 -13.078 -30.054 1.00 0.00 O ATOM 12 CB SER A 2 22.177 -15.468 -28.254 1.00 0.00 C ATOM 13 OG SER A 2 23.328 -16.077 -27.676 1.00 0.00 O ATOM 0 H SER A 2 23.472 -13.237 -29.561 1.00 0.00 H new ATOM 0 HA SER A 2 22.573 -15.944 -30.298 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.893 -14.597 -27.664 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.340 -16.165 -28.216 1.00 0.00 H new ATOM 0 HG SER A 2 23.133 -16.332 -26.750 1.00 0.00 H new ATOM 19 N SER A 3 20.333 -15.032 -30.911 1.00 0.00 N ATOM 20 CA SER A 3 19.131 -14.447 -31.481 1.00 0.00 C ATOM 21 C SER A 3 17.899 -14.923 -30.708 1.00 0.00 C ATOM 22 O SER A 3 16.840 -15.139 -31.294 1.00 0.00 O ATOM 23 CB SER A 3 18.997 -14.802 -32.964 1.00 0.00 C ATOM 24 OG SER A 3 18.557 -13.691 -33.741 1.00 0.00 O ATOM 0 H SER A 3 20.436 -16.035 -31.069 1.00 0.00 H new ATOM 0 HA SER A 3 19.206 -13.363 -31.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.958 -15.151 -33.342 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.292 -15.626 -33.077 1.00 0.00 H new ATOM 0 HG SER A 3 18.485 -13.957 -34.681 1.00 0.00 H new ATOM 30 N GLY A 4 18.080 -15.072 -29.404 1.00 0.00 N ATOM 31 CA GLY A 4 16.997 -15.518 -28.545 1.00 0.00 C ATOM 32 C GLY A 4 16.038 -14.368 -28.230 1.00 0.00 C ATOM 33 O GLY A 4 16.251 -13.239 -28.670 1.00 0.00 O ATOM 0 H GLY A 4 18.961 -14.892 -28.922 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.452 -16.328 -29.031 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.405 -15.920 -27.618 1.00 0.00 H new ATOM 37 N SER A 5 15.003 -14.695 -27.470 1.00 0.00 N ATOM 38 CA SER A 5 14.010 -13.703 -27.091 1.00 0.00 C ATOM 39 C SER A 5 13.178 -14.219 -25.915 1.00 0.00 C ATOM 40 O SER A 5 13.161 -13.609 -24.847 1.00 0.00 O ATOM 41 CB SER A 5 13.102 -13.354 -28.271 1.00 0.00 C ATOM 42 OG SER A 5 12.857 -11.953 -28.360 1.00 0.00 O ATOM 0 H SER A 5 14.830 -15.632 -27.106 1.00 0.00 H new ATOM 0 HA SER A 5 14.532 -12.795 -26.788 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.561 -13.701 -29.197 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.154 -13.882 -28.168 1.00 0.00 H new ATOM 0 HG SER A 5 12.275 -11.771 -29.127 1.00 0.00 H new ATOM 48 N SER A 6 12.508 -15.337 -26.151 1.00 0.00 N ATOM 49 CA SER A 6 11.675 -15.942 -25.125 1.00 0.00 C ATOM 50 C SER A 6 10.509 -15.013 -24.784 1.00 0.00 C ATOM 51 O SER A 6 10.587 -13.805 -25.002 1.00 0.00 O ATOM 52 CB SER A 6 12.490 -16.255 -23.869 1.00 0.00 C ATOM 53 OG SER A 6 13.001 -17.585 -23.882 1.00 0.00 O ATOM 0 H SER A 6 12.525 -15.840 -27.038 1.00 0.00 H new ATOM 0 HA SER A 6 11.281 -16.881 -25.513 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.317 -15.550 -23.788 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.865 -16.115 -22.987 1.00 0.00 H new ATOM 0 HG SER A 6 13.517 -17.745 -23.064 1.00 0.00 H new ATOM 59 N GLY A 7 9.453 -15.612 -24.253 1.00 0.00 N ATOM 60 CA GLY A 7 8.271 -14.853 -23.879 1.00 0.00 C ATOM 61 C GLY A 7 7.407 -15.637 -22.889 1.00 0.00 C ATOM 62 O GLY A 7 7.314 -16.861 -22.974 1.00 0.00 O ATOM 0 H GLY A 7 9.391 -16.614 -24.073 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.570 -13.904 -23.434 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.688 -14.618 -24.770 1.00 0.00 H new ATOM 66 N SER A 8 6.797 -14.900 -21.972 1.00 0.00 N ATOM 67 CA SER A 8 5.943 -15.511 -20.967 1.00 0.00 C ATOM 68 C SER A 8 5.189 -14.428 -20.194 1.00 0.00 C ATOM 69 O SER A 8 5.695 -13.321 -20.014 1.00 0.00 O ATOM 70 CB SER A 8 6.758 -16.379 -20.007 1.00 0.00 C ATOM 71 OG SER A 8 7.445 -15.598 -19.033 1.00 0.00 O ATOM 0 H SER A 8 6.877 -13.885 -21.904 1.00 0.00 H new ATOM 0 HA SER A 8 5.224 -16.154 -21.474 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.096 -17.084 -19.505 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.479 -16.968 -20.574 1.00 0.00 H new ATOM 0 HG SER A 8 7.952 -16.189 -18.438 1.00 0.00 H new ATOM 77 N ARG A 9 3.990 -14.785 -19.756 1.00 0.00 N ATOM 78 CA ARG A 9 3.161 -13.857 -19.006 1.00 0.00 C ATOM 79 C ARG A 9 3.032 -14.317 -17.552 1.00 0.00 C ATOM 80 O ARG A 9 2.797 -13.504 -16.659 1.00 0.00 O ATOM 81 CB ARG A 9 1.765 -13.744 -19.623 1.00 0.00 C ATOM 82 CG ARG A 9 1.823 -13.050 -20.985 1.00 0.00 C ATOM 83 CD ARG A 9 1.479 -14.026 -22.112 1.00 0.00 C ATOM 84 NE ARG A 9 2.526 -13.982 -23.157 1.00 0.00 N ATOM 85 CZ ARG A 9 2.499 -14.713 -24.280 1.00 0.00 C ATOM 86 NH1 ARG A 9 1.478 -15.549 -24.510 1.00 0.00 N ATOM 87 NH2 ARG A 9 3.493 -14.607 -25.172 1.00 0.00 N ATOM 0 H ARG A 9 3.573 -15.704 -19.906 1.00 0.00 H new ATOM 0 HA ARG A 9 3.642 -12.879 -19.041 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.331 -14.738 -19.735 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.112 -13.185 -18.953 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.127 -12.211 -21.000 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.820 -12.640 -21.146 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.393 -15.037 -21.715 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.512 -13.769 -22.544 1.00 0.00 H new ATOM 0 HE ARG A 9 3.318 -13.356 -23.013 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.721 -15.629 -23.831 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.457 -16.105 -25.365 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.270 -13.970 -24.996 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.473 -15.163 -26.027 1.00 0.00 H new ATOM 101 N GLN A 10 3.192 -15.618 -17.360 1.00 0.00 N ATOM 102 CA GLN A 10 3.096 -16.195 -16.030 1.00 0.00 C ATOM 103 C GLN A 10 3.561 -17.653 -16.049 1.00 0.00 C ATOM 104 O GLN A 10 2.963 -18.490 -16.725 1.00 0.00 O ATOM 105 CB GLN A 10 1.672 -16.081 -15.483 1.00 0.00 C ATOM 106 CG GLN A 10 1.618 -15.123 -14.291 1.00 0.00 C ATOM 107 CD GLN A 10 0.258 -14.427 -14.209 1.00 0.00 C ATOM 108 OE1 GLN A 10 -0.474 -14.321 -15.179 1.00 0.00 O ATOM 109 NE2 GLN A 10 -0.038 -13.959 -12.999 1.00 0.00 N ATOM 0 H GLN A 10 3.387 -16.289 -18.103 1.00 0.00 H new ATOM 0 HA GLN A 10 3.751 -15.633 -15.364 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.004 -15.728 -16.269 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.315 -17.065 -15.180 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.805 -15.673 -13.369 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.407 -14.377 -14.383 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.620 -14.082 -12.230 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.923 -13.478 -12.841 1.00 0.00 H new ATOM 118 N ALA A 11 4.623 -17.912 -15.300 1.00 0.00 N ATOM 119 CA ALA A 11 5.174 -19.254 -15.223 1.00 0.00 C ATOM 120 C ALA A 11 5.389 -19.629 -13.755 1.00 0.00 C ATOM 121 O ALA A 11 6.445 -19.354 -13.189 1.00 0.00 O ATOM 122 CB ALA A 11 6.467 -19.323 -16.037 1.00 0.00 C ATOM 0 H ALA A 11 5.116 -17.215 -14.741 1.00 0.00 H new ATOM 0 HA ALA A 11 4.481 -19.978 -15.651 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.880 -20.330 -15.979 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.255 -19.077 -17.078 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.188 -18.611 -15.635 1.00 0.00 H new ATOM 128 N PRO A 12 4.342 -20.268 -13.166 1.00 0.00 N ATOM 129 CA PRO A 12 4.406 -20.684 -11.775 1.00 0.00 C ATOM 130 C PRO A 12 5.296 -21.917 -11.612 1.00 0.00 C ATOM 131 O PRO A 12 4.865 -23.038 -11.878 1.00 0.00 O ATOM 132 CB PRO A 12 2.962 -20.936 -11.373 1.00 0.00 C ATOM 133 CG PRO A 12 2.191 -21.102 -12.673 1.00 0.00 C ATOM 134 CD PRO A 12 3.076 -20.611 -13.806 1.00 0.00 C ATOM 0 HA PRO A 12 4.859 -19.930 -11.131 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.879 -21.829 -10.753 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.568 -20.104 -10.789 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.920 -22.147 -12.825 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.262 -20.533 -12.641 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.212 -21.382 -14.565 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.638 -19.747 -14.305 1.00 0.00 H new ATOM 142 N ILE A 13 6.523 -21.669 -11.176 1.00 0.00 N ATOM 143 CA ILE A 13 7.477 -22.746 -10.974 1.00 0.00 C ATOM 144 C ILE A 13 7.878 -22.796 -9.498 1.00 0.00 C ATOM 145 O ILE A 13 8.514 -21.872 -8.993 1.00 0.00 O ATOM 146 CB ILE A 13 8.663 -22.597 -11.929 1.00 0.00 C ATOM 147 CG1 ILE A 13 8.213 -22.723 -13.386 1.00 0.00 C ATOM 148 CG2 ILE A 13 9.773 -23.591 -11.584 1.00 0.00 C ATOM 149 CD1 ILE A 13 9.291 -22.203 -14.340 1.00 0.00 C ATOM 0 H ILE A 13 6.878 -20.738 -10.957 1.00 0.00 H new ATOM 0 HA ILE A 13 7.023 -23.707 -11.214 1.00 0.00 H new ATOM 0 HB ILE A 13 9.077 -21.596 -11.805 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.993 -23.766 -13.614 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.290 -22.163 -13.535 1.00 0.00 H new ATOM 0 HG21 ILE A 13 10.604 -23.464 -12.278 1.00 0.00 H new ATOM 0 HG22 ILE A 13 10.119 -23.411 -10.566 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.388 -24.608 -11.662 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.946 -22.304 -15.369 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.491 -21.153 -14.126 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.205 -22.781 -14.206 1.00 0.00 H new ATOM 161 N ALA A 14 7.491 -23.884 -8.849 1.00 0.00 N ATOM 162 CA ALA A 14 7.802 -24.066 -7.441 1.00 0.00 C ATOM 163 C ALA A 14 7.131 -22.958 -6.627 1.00 0.00 C ATOM 164 O ALA A 14 6.659 -21.970 -7.188 1.00 0.00 O ATOM 165 CB ALA A 14 9.320 -24.090 -7.253 1.00 0.00 C ATOM 0 H ALA A 14 6.965 -24.649 -9.272 1.00 0.00 H new ATOM 0 HA ALA A 14 7.414 -25.019 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.554 -24.226 -6.197 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.745 -24.913 -7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.745 -23.148 -7.600 1.00 0.00 H new ATOM 171 N ASN A 15 7.109 -23.160 -5.318 1.00 0.00 N ATOM 172 CA ASN A 15 6.504 -22.190 -4.421 1.00 0.00 C ATOM 173 C ASN A 15 7.578 -21.621 -3.492 1.00 0.00 C ATOM 174 O ASN A 15 8.635 -22.224 -3.317 1.00 0.00 O ATOM 175 CB ASN A 15 5.425 -22.841 -3.554 1.00 0.00 C ATOM 176 CG ASN A 15 5.995 -24.020 -2.762 1.00 0.00 C ATOM 177 OD1 ASN A 15 6.577 -23.865 -1.701 1.00 0.00 O ATOM 178 ND2 ASN A 15 5.796 -25.203 -3.335 1.00 0.00 N ATOM 0 H ASN A 15 7.500 -23.981 -4.857 1.00 0.00 H new ATOM 0 HA ASN A 15 6.054 -21.404 -5.028 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.011 -22.103 -2.867 1.00 0.00 H new ATOM 0 HB3 ASN A 15 4.605 -23.184 -4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.139 -26.052 -2.885 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.301 -25.262 -4.225 1.00 0.00 H new ATOM 185 N ALA A 16 7.269 -20.466 -2.921 1.00 0.00 N ATOM 186 CA ALA A 16 8.195 -19.808 -2.014 1.00 0.00 C ATOM 187 C ALA A 16 8.413 -20.693 -0.785 1.00 0.00 C ATOM 188 O ALA A 16 7.474 -21.314 -0.288 1.00 0.00 O ATOM 189 CB ALA A 16 7.655 -18.424 -1.648 1.00 0.00 C ATOM 0 H ALA A 16 6.391 -19.969 -3.069 1.00 0.00 H new ATOM 0 HA ALA A 16 9.164 -19.663 -2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.349 -17.931 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.546 -17.825 -2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.685 -18.529 -1.163 1.00 0.00 H new ATOM 195 N ALA A 17 9.656 -20.722 -0.329 1.00 0.00 N ATOM 196 CA ALA A 17 10.009 -21.520 0.833 1.00 0.00 C ATOM 197 C ALA A 17 10.387 -20.591 1.988 1.00 0.00 C ATOM 198 O ALA A 17 10.788 -19.450 1.767 1.00 0.00 O ATOM 199 CB ALA A 17 11.140 -22.483 0.466 1.00 0.00 C ATOM 0 H ALA A 17 10.432 -20.206 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 17 9.160 -22.122 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 17 11.405 -23.082 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.812 -23.140 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.010 -21.914 0.138 1.00 0.00 H new ATOM 205 N VAL A 18 10.244 -21.115 3.197 1.00 0.00 N ATOM 206 CA VAL A 18 10.565 -20.347 4.388 1.00 0.00 C ATOM 207 C VAL A 18 10.326 -21.212 5.627 1.00 0.00 C ATOM 208 O VAL A 18 9.183 -21.515 5.966 1.00 0.00 O ATOM 209 CB VAL A 18 9.761 -19.045 4.404 1.00 0.00 C ATOM 210 CG1 VAL A 18 8.277 -19.315 4.149 1.00 0.00 C ATOM 211 CG2 VAL A 18 9.964 -18.291 5.719 1.00 0.00 C ATOM 0 H VAL A 18 9.910 -22.062 3.377 1.00 0.00 H new ATOM 0 HA VAL A 18 11.617 -20.063 4.387 1.00 0.00 H new ATOM 0 HB VAL A 18 10.130 -18.413 3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.728 -18.374 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.156 -19.789 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.889 -19.975 4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.382 -17.370 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.635 -18.915 6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.020 -18.051 5.841 1.00 0.00 H new ATOM 221 N LEU A 19 11.423 -21.586 6.269 1.00 0.00 N ATOM 222 CA LEU A 19 11.347 -22.410 7.464 1.00 0.00 C ATOM 223 C LEU A 19 11.533 -21.528 8.700 1.00 0.00 C ATOM 224 O LEU A 19 12.320 -20.583 8.680 1.00 0.00 O ATOM 225 CB LEU A 19 12.342 -23.569 7.379 1.00 0.00 C ATOM 226 CG LEU A 19 12.790 -24.167 8.715 1.00 0.00 C ATOM 227 CD1 LEU A 19 12.359 -25.630 8.832 1.00 0.00 C ATOM 228 CD2 LEU A 19 14.297 -23.995 8.914 1.00 0.00 C ATOM 0 H LEU A 19 12.369 -21.334 5.984 1.00 0.00 H new ATOM 0 HA LEU A 19 10.363 -22.871 7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.895 -24.362 6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.226 -23.224 6.843 1.00 0.00 H new ATOM 0 HG LEU A 19 12.295 -23.621 9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.690 -26.031 9.790 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.273 -25.696 8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.807 -26.207 8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.589 -24.428 9.870 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.830 -24.500 8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.546 -22.934 8.905 1.00 0.00 H new ATOM 240 N PRO A 20 10.775 -21.876 9.774 1.00 0.00 N ATOM 241 CA PRO A 20 10.848 -21.127 11.017 1.00 0.00 C ATOM 242 C PRO A 20 12.136 -21.451 11.777 1.00 0.00 C ATOM 243 O PRO A 20 12.119 -22.225 12.732 1.00 0.00 O ATOM 244 CB PRO A 20 9.593 -21.512 11.783 1.00 0.00 C ATOM 245 CG PRO A 20 9.101 -22.805 11.154 1.00 0.00 C ATOM 246 CD PRO A 20 9.831 -22.989 9.834 1.00 0.00 C ATOM 0 HA PRO A 20 10.886 -20.049 10.857 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.809 -21.651 12.842 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.837 -20.730 11.712 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.292 -23.649 11.817 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.024 -22.765 10.992 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.347 -23.948 9.797 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.139 -22.967 8.992 1.00 0.00 H new ATOM 254 N GLN A 21 13.222 -20.842 11.323 1.00 0.00 N ATOM 255 CA GLN A 21 14.516 -21.056 11.949 1.00 0.00 C ATOM 256 C GLN A 21 14.738 -20.039 13.070 1.00 0.00 C ATOM 257 O GLN A 21 14.594 -18.835 12.859 1.00 0.00 O ATOM 258 CB GLN A 21 15.642 -20.987 10.915 1.00 0.00 C ATOM 259 CG GLN A 21 16.913 -21.655 11.445 1.00 0.00 C ATOM 260 CD GLN A 21 17.917 -21.895 10.315 1.00 0.00 C ATOM 261 OE1 GLN A 21 18.124 -21.064 9.447 1.00 0.00 O ATOM 262 NE2 GLN A 21 18.527 -23.075 10.376 1.00 0.00 N ATOM 0 H GLN A 21 13.232 -20.201 10.530 1.00 0.00 H new ATOM 0 HA GLN A 21 14.527 -22.055 12.385 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.326 -21.477 9.994 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.850 -19.946 10.667 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.366 -21.027 12.212 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.660 -22.603 11.919 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.306 -23.725 11.131 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.215 -23.330 9.668 1.00 0.00 H new ATOM 271 N SER A 22 15.085 -20.560 14.238 1.00 0.00 N ATOM 272 CA SER A 22 15.328 -19.712 15.393 1.00 0.00 C ATOM 273 C SER A 22 16.596 -18.884 15.176 1.00 0.00 C ATOM 274 O SER A 22 17.664 -19.234 15.676 1.00 0.00 O ATOM 275 CB SER A 22 15.450 -20.544 16.671 1.00 0.00 C ATOM 276 OG SER A 22 16.490 -21.515 16.579 1.00 0.00 O ATOM 0 H SER A 22 15.204 -21.558 14.409 1.00 0.00 H new ATOM 0 HA SER A 22 14.478 -19.040 15.509 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.644 -19.884 17.516 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.503 -21.045 16.869 1.00 0.00 H new ATOM 0 HG SER A 22 17.296 -21.097 16.211 1.00 0.00 H new ATOM 282 N GLN A 23 16.436 -17.800 14.430 1.00 0.00 N ATOM 283 CA GLN A 23 17.554 -16.919 14.141 1.00 0.00 C ATOM 284 C GLN A 23 17.091 -15.736 13.288 1.00 0.00 C ATOM 285 O GLN A 23 17.551 -14.611 13.479 1.00 0.00 O ATOM 286 CB GLN A 23 18.689 -17.681 13.453 1.00 0.00 C ATOM 287 CG GLN A 23 20.043 -17.323 14.069 1.00 0.00 C ATOM 288 CD GLN A 23 20.857 -18.582 14.373 1.00 0.00 C ATOM 289 OE1 GLN A 23 20.346 -19.690 14.408 1.00 0.00 O ATOM 290 NE2 GLN A 23 22.149 -18.352 14.589 1.00 0.00 N ATOM 0 H GLN A 23 15.549 -17.512 14.017 1.00 0.00 H new ATOM 0 HA GLN A 23 17.940 -16.532 15.084 1.00 0.00 H new ATOM 0 HB2 GLN A 23 18.518 -18.754 13.542 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.696 -17.446 12.389 1.00 0.00 H new ATOM 0 HG2 GLN A 23 20.600 -16.682 13.385 1.00 0.00 H new ATOM 0 HG3 GLN A 23 19.890 -16.754 14.986 1.00 0.00 H new ATOM 0 HE21 GLN A 23 22.512 -17.400 14.545 1.00 0.00 H new ATOM 0 HE22 GLN A 23 22.777 -19.128 14.799 1.00 0.00 H new ATOM 299 N GLY A 24 16.187 -16.031 12.366 1.00 0.00 N ATOM 300 CA GLY A 24 15.657 -15.006 11.483 1.00 0.00 C ATOM 301 C GLY A 24 15.246 -13.761 12.273 1.00 0.00 C ATOM 302 O GLY A 24 14.999 -13.838 13.475 1.00 0.00 O ATOM 0 H GLY A 24 15.808 -16.965 12.211 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.407 -14.738 10.739 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.796 -15.398 10.941 1.00 0.00 H new ATOM 306 N ARG A 25 15.185 -12.643 11.564 1.00 0.00 N ATOM 307 CA ARG A 25 14.808 -11.384 12.184 1.00 0.00 C ATOM 308 C ARG A 25 13.397 -10.981 11.750 1.00 0.00 C ATOM 309 O ARG A 25 12.806 -11.616 10.878 1.00 0.00 O ATOM 310 CB ARG A 25 15.787 -10.270 11.808 1.00 0.00 C ATOM 311 CG ARG A 25 16.743 -9.968 12.964 1.00 0.00 C ATOM 312 CD ARG A 25 17.097 -8.480 13.009 1.00 0.00 C ATOM 313 NE ARG A 25 16.248 -7.788 14.004 1.00 0.00 N ATOM 314 CZ ARG A 25 16.399 -6.505 14.357 1.00 0.00 C ATOM 315 NH1 ARG A 25 17.368 -5.766 13.799 1.00 0.00 N ATOM 316 NH2 ARG A 25 15.582 -5.960 15.269 1.00 0.00 N ATOM 0 H ARG A 25 15.390 -12.583 10.567 1.00 0.00 H new ATOM 0 HA ARG A 25 14.834 -11.525 13.264 1.00 0.00 H new ATOM 0 HB2 ARG A 25 16.357 -10.564 10.927 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.234 -9.369 11.544 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.284 -10.265 13.907 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.652 -10.559 12.852 1.00 0.00 H new ATOM 0 HD2 ARG A 25 18.149 -8.356 13.267 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.955 -8.034 12.025 1.00 0.00 H new ATOM 0 HE ARG A 25 15.501 -8.322 14.449 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.990 -6.181 13.105 1.00 0.00 H new ATOM 0 HH12 ARG A 25 17.483 -4.789 14.068 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.845 -6.522 15.694 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.697 -4.983 15.538 1.00 0.00 H new ATOM 330 N VAL A 26 12.898 -9.927 12.379 1.00 0.00 N ATOM 331 CA VAL A 26 11.568 -9.431 12.069 1.00 0.00 C ATOM 332 C VAL A 26 11.509 -9.028 10.594 1.00 0.00 C ATOM 333 O VAL A 26 12.533 -8.705 9.994 1.00 0.00 O ATOM 334 CB VAL A 26 11.202 -8.287 13.017 1.00 0.00 C ATOM 335 CG1 VAL A 26 11.509 -8.658 14.469 1.00 0.00 C ATOM 336 CG2 VAL A 26 11.917 -6.995 12.618 1.00 0.00 C ATOM 0 H VAL A 26 13.391 -9.403 13.102 1.00 0.00 H new ATOM 0 HA VAL A 26 10.824 -10.213 12.222 1.00 0.00 H new ATOM 0 HB VAL A 26 10.129 -8.115 12.936 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.240 -7.828 15.122 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.934 -9.541 14.748 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.573 -8.871 14.573 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.640 -6.198 13.308 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.995 -7.149 12.656 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.626 -6.716 11.605 1.00 0.00 H new ATOM 346 N ALA A 27 10.300 -9.060 10.053 1.00 0.00 N ATOM 347 CA ALA A 27 10.095 -8.702 8.660 1.00 0.00 C ATOM 348 C ALA A 27 9.827 -7.199 8.558 1.00 0.00 C ATOM 349 O ALA A 27 10.636 -6.457 8.003 1.00 0.00 O ATOM 350 CB ALA A 27 8.952 -9.539 8.081 1.00 0.00 C ATOM 0 H ALA A 27 9.453 -9.328 10.554 1.00 0.00 H new ATOM 0 HA ALA A 27 10.987 -8.918 8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.798 -9.271 7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.204 -10.597 8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.039 -9.346 8.644 1.00 0.00 H new ATOM 356 N ALA A 28 8.688 -6.795 9.103 1.00 0.00 N ATOM 357 CA ALA A 28 8.304 -5.394 9.080 1.00 0.00 C ATOM 358 C ALA A 28 9.539 -4.527 9.333 1.00 0.00 C ATOM 359 O ALA A 28 10.121 -4.570 10.415 1.00 0.00 O ATOM 360 CB ALA A 28 7.200 -5.151 10.111 1.00 0.00 C ATOM 0 H ALA A 28 8.020 -7.413 9.563 1.00 0.00 H new ATOM 0 HA ALA A 28 7.904 -5.121 8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.911 -4.100 10.094 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.335 -5.769 9.870 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.566 -5.411 11.104 1.00 0.00 H new ATOM 366 N SER A 29 9.901 -3.759 8.315 1.00 0.00 N ATOM 367 CA SER A 29 11.056 -2.883 8.413 1.00 0.00 C ATOM 368 C SER A 29 10.604 -1.421 8.426 1.00 0.00 C ATOM 369 O SER A 29 9.763 -1.021 7.624 1.00 0.00 O ATOM 370 CB SER A 29 12.032 -3.127 7.260 1.00 0.00 C ATOM 371 OG SER A 29 12.067 -4.497 6.872 1.00 0.00 O ATOM 0 H SER A 29 9.415 -3.726 7.419 1.00 0.00 H new ATOM 0 HA SER A 29 11.575 -3.104 9.345 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.744 -2.515 6.405 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.031 -2.809 7.557 1.00 0.00 H new ATOM 0 HG SER A 29 11.698 -5.050 7.592 1.00 0.00 H new ATOM 377 N GLU A 30 11.183 -0.664 9.347 1.00 0.00 N ATOM 378 CA GLU A 30 10.851 0.744 9.475 1.00 0.00 C ATOM 379 C GLU A 30 10.656 1.371 8.093 1.00 0.00 C ATOM 380 O GLU A 30 9.615 1.967 7.819 1.00 0.00 O ATOM 381 CB GLU A 30 11.924 1.491 10.269 1.00 0.00 C ATOM 382 CG GLU A 30 11.391 2.827 10.791 1.00 0.00 C ATOM 383 CD GLU A 30 12.301 3.982 10.369 1.00 0.00 C ATOM 384 OE1 GLU A 30 12.534 4.105 9.147 1.00 0.00 O ATOM 385 OE2 GLU A 30 12.743 4.717 11.279 1.00 0.00 O ATOM 0 H GLU A 30 11.880 -1.000 10.012 1.00 0.00 H new ATOM 0 HA GLU A 30 9.914 0.827 10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.256 0.876 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.794 1.665 9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.384 2.995 10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.319 2.794 11.878 1.00 0.00 H new ATOM 392 N GLU A 31 11.673 1.216 7.259 1.00 0.00 N ATOM 393 CA GLU A 31 11.627 1.759 5.912 1.00 0.00 C ATOM 394 C GLU A 31 10.236 1.560 5.307 1.00 0.00 C ATOM 395 O GLU A 31 9.620 2.511 4.830 1.00 0.00 O ATOM 396 CB GLU A 31 12.705 1.129 5.029 1.00 0.00 C ATOM 397 CG GLU A 31 13.509 2.203 4.294 1.00 0.00 C ATOM 398 CD GLU A 31 14.073 1.662 2.978 1.00 0.00 C ATOM 399 OE1 GLU A 31 15.052 0.888 3.056 1.00 0.00 O ATOM 400 OE2 GLU A 31 13.513 2.034 1.925 1.00 0.00 O ATOM 0 H GLU A 31 12.535 0.722 7.490 1.00 0.00 H new ATOM 0 HA GLU A 31 11.829 2.829 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.374 0.524 5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.241 0.458 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.873 3.065 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.325 2.549 4.928 1.00 0.00 H new ATOM 407 N GLN A 32 9.782 0.316 5.346 1.00 0.00 N ATOM 408 CA GLN A 32 8.475 -0.021 4.807 1.00 0.00 C ATOM 409 C GLN A 32 7.377 0.705 5.586 1.00 0.00 C ATOM 410 O GLN A 32 6.617 1.486 5.013 1.00 0.00 O ATOM 411 CB GLN A 32 8.249 -1.534 4.823 1.00 0.00 C ATOM 412 CG GLN A 32 9.485 -2.279 4.312 1.00 0.00 C ATOM 413 CD GLN A 32 10.044 -1.613 3.053 1.00 0.00 C ATOM 414 OE1 GLN A 32 10.412 -0.450 3.046 1.00 0.00 O ATOM 415 NE2 GLN A 32 10.088 -2.414 1.992 1.00 0.00 N ATOM 0 H GLN A 32 10.296 -0.471 5.742 1.00 0.00 H new ATOM 0 HA GLN A 32 8.436 0.308 3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.017 -1.860 5.837 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.388 -1.783 4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.250 -2.297 5.088 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.226 -3.315 4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.764 -3.378 2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.446 -2.064 1.103 1.00 0.00 H new ATOM 424 N ILE A 33 7.327 0.423 6.879 1.00 0.00 N ATOM 425 CA ILE A 33 6.334 1.039 7.742 1.00 0.00 C ATOM 426 C ILE A 33 6.176 2.512 7.359 1.00 0.00 C ATOM 427 O ILE A 33 5.063 3.035 7.336 1.00 0.00 O ATOM 428 CB ILE A 33 6.693 0.822 9.213 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.530 -0.648 9.606 1.00 0.00 C ATOM 430 CG2 ILE A 33 5.882 1.751 10.119 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.809 -1.190 10.248 1.00 0.00 C ATOM 0 H ILE A 33 7.959 -0.224 7.350 1.00 0.00 H new ATOM 0 HA ILE A 33 5.362 0.566 7.602 1.00 0.00 H new ATOM 0 HB ILE A 33 7.744 1.077 9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.698 -0.752 10.302 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.283 -1.239 8.724 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.157 1.576 11.159 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.092 2.788 9.858 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.819 1.552 9.986 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.666 -2.236 10.518 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.634 -1.107 9.541 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.039 -0.613 11.144 1.00 0.00 H new ATOM 443 N GLN A 34 7.306 3.140 7.069 1.00 0.00 N ATOM 444 CA GLN A 34 7.307 4.542 6.688 1.00 0.00 C ATOM 445 C GLN A 34 6.789 4.704 5.258 1.00 0.00 C ATOM 446 O GLN A 34 5.894 5.509 5.005 1.00 0.00 O ATOM 447 CB GLN A 34 8.703 5.150 6.837 1.00 0.00 C ATOM 448 CG GLN A 34 9.196 5.043 8.282 1.00 0.00 C ATOM 449 CD GLN A 34 8.267 5.799 9.235 1.00 0.00 C ATOM 450 OE1 GLN A 34 7.467 6.628 8.835 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.418 5.468 10.514 1.00 0.00 N ATOM 0 H GLN A 34 8.228 2.703 7.090 1.00 0.00 H new ATOM 0 HA GLN A 34 6.638 5.081 7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.399 4.638 6.173 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.682 6.196 6.532 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.249 3.995 8.575 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.206 5.446 8.356 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.107 4.765 10.781 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.845 5.917 11.228 1.00 0.00 H new ATOM 460 N LYS A 35 7.373 3.926 4.359 1.00 0.00 N ATOM 461 CA LYS A 35 6.982 3.973 2.960 1.00 0.00 C ATOM 462 C LYS A 35 5.466 3.798 2.853 1.00 0.00 C ATOM 463 O LYS A 35 4.851 4.250 1.889 1.00 0.00 O ATOM 464 CB LYS A 35 7.777 2.950 2.146 1.00 0.00 C ATOM 465 CG LYS A 35 8.874 3.635 1.327 1.00 0.00 C ATOM 466 CD LYS A 35 9.297 2.765 0.142 1.00 0.00 C ATOM 467 CE LYS A 35 8.273 2.847 -0.992 1.00 0.00 C ATOM 468 NZ LYS A 35 8.417 4.121 -1.730 1.00 0.00 N ATOM 0 H LYS A 35 8.115 3.259 4.572 1.00 0.00 H new ATOM 0 HA LYS A 35 7.223 4.945 2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.223 2.215 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.105 2.408 1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.515 4.599 0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.737 3.834 1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.273 3.088 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.404 1.730 0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.409 2.008 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.265 2.767 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.837 4.090 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.101 4.908 -1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.414 4.262 -1.989 1.00 0.00 H new ATOM 482 N LEU A 36 4.906 3.140 3.858 1.00 0.00 N ATOM 483 CA LEU A 36 3.473 2.900 3.889 1.00 0.00 C ATOM 484 C LEU A 36 2.798 3.978 4.740 1.00 0.00 C ATOM 485 O LEU A 36 1.851 4.624 4.293 1.00 0.00 O ATOM 486 CB LEU A 36 3.179 1.474 4.358 1.00 0.00 C ATOM 487 CG LEU A 36 3.649 0.352 3.429 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.226 -1.017 3.965 1.00 0.00 C ATOM 489 CD2 LEU A 36 3.159 0.584 1.998 1.00 0.00 C ATOM 0 H LEU A 36 5.419 2.766 4.656 1.00 0.00 H new ATOM 0 HA LEU A 36 3.053 2.975 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.644 1.330 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.103 1.374 4.500 1.00 0.00 H new ATOM 0 HG LEU A 36 4.739 0.364 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.572 -1.796 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.664 -1.173 4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.139 -1.058 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.507 -0.227 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.069 0.614 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.551 1.531 1.628 1.00 0.00 H new ATOM 501 N VAL A 37 3.311 4.139 5.951 1.00 0.00 N ATOM 502 CA VAL A 37 2.770 5.127 6.868 1.00 0.00 C ATOM 503 C VAL A 37 2.713 6.487 6.169 1.00 0.00 C ATOM 504 O VAL A 37 1.770 7.253 6.369 1.00 0.00 O ATOM 505 CB VAL A 37 3.593 5.152 8.157 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.344 6.441 8.943 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.302 3.920 9.017 1.00 0.00 C ATOM 0 H VAL A 37 4.096 3.601 6.318 1.00 0.00 H new ATOM 0 HA VAL A 37 1.751 4.865 7.154 1.00 0.00 H new ATOM 0 HB VAL A 37 4.647 5.127 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.941 6.432 9.855 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.625 7.299 8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.288 6.511 9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.900 3.962 9.927 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.244 3.900 9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.555 3.019 8.459 1.00 0.00 H new ATOM 517 N ALA A 38 3.732 6.747 5.364 1.00 0.00 N ATOM 518 CA ALA A 38 3.810 8.001 4.635 1.00 0.00 C ATOM 519 C ALA A 38 2.619 8.106 3.680 1.00 0.00 C ATOM 520 O ALA A 38 2.040 9.179 3.519 1.00 0.00 O ATOM 521 CB ALA A 38 5.152 8.085 3.904 1.00 0.00 C ATOM 0 H ALA A 38 4.511 6.110 5.200 1.00 0.00 H new ATOM 0 HA ALA A 38 3.759 8.847 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.210 9.026 3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.965 8.036 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.238 7.253 3.205 1.00 0.00 H new ATOM 527 N MET A 39 2.288 6.976 3.072 1.00 0.00 N ATOM 528 CA MET A 39 1.176 6.927 2.138 1.00 0.00 C ATOM 529 C MET A 39 -0.152 7.186 2.852 1.00 0.00 C ATOM 530 O MET A 39 -1.160 7.475 2.209 1.00 0.00 O ATOM 531 CB MET A 39 1.136 5.554 1.464 1.00 0.00 C ATOM 532 CG MET A 39 2.336 5.363 0.535 1.00 0.00 C ATOM 533 SD MET A 39 1.798 5.369 -1.167 1.00 0.00 S ATOM 534 CE MET A 39 2.075 3.656 -1.586 1.00 0.00 C ATOM 0 H MET A 39 2.770 6.088 3.208 1.00 0.00 H new ATOM 0 HA MET A 39 1.320 7.705 1.388 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.132 4.772 2.224 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.212 5.451 0.896 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.063 6.159 0.698 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.837 4.422 0.763 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.789 3.484 -2.624 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.130 3.416 -1.456 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.475 3.020 -0.934 1.00 0.00 H new ATOM 544 N GLY A 40 -0.110 7.072 4.171 1.00 0.00 N ATOM 545 CA GLY A 40 -1.297 7.290 4.979 1.00 0.00 C ATOM 546 C GLY A 40 -1.818 5.971 5.555 1.00 0.00 C ATOM 547 O GLY A 40 -3.018 5.704 5.517 1.00 0.00 O ATOM 0 H GLY A 40 0.728 6.831 4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.067 7.980 5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.073 7.758 4.373 1.00 0.00 H new ATOM 551 N PHE A 41 -0.889 5.182 6.076 1.00 0.00 N ATOM 552 CA PHE A 41 -1.239 3.898 6.659 1.00 0.00 C ATOM 553 C PHE A 41 -0.837 3.838 8.134 1.00 0.00 C ATOM 554 O PHE A 41 -0.107 4.702 8.618 1.00 0.00 O ATOM 555 CB PHE A 41 -0.463 2.830 5.887 1.00 0.00 C ATOM 556 CG PHE A 41 -0.971 2.599 4.462 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.298 2.405 4.237 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.096 2.587 3.422 1.00 0.00 C ATOM 559 CE1 PHE A 41 -2.770 2.191 2.915 1.00 0.00 C ATOM 560 CE2 PHE A 41 -0.567 2.372 2.100 1.00 0.00 C ATOM 561 CZ PHE A 41 -1.894 2.179 1.874 1.00 0.00 C ATOM 0 H PHE A 41 0.105 5.407 6.106 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.316 3.742 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.587 3.118 5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.514 1.890 6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.993 2.414 5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.958 2.741 3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.824 2.038 2.736 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.129 2.362 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.252 2.016 0.868 1.00 0.00 H new ATOM 571 N ASP A 42 -1.331 2.810 8.808 1.00 0.00 N ATOM 572 CA ASP A 42 -1.033 2.626 10.218 1.00 0.00 C ATOM 573 C ASP A 42 0.131 1.643 10.364 1.00 0.00 C ATOM 574 O ASP A 42 0.121 0.570 9.764 1.00 0.00 O ATOM 575 CB ASP A 42 -2.236 2.048 10.965 1.00 0.00 C ATOM 576 CG ASP A 42 -2.599 2.770 12.264 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.700 3.450 12.805 1.00 0.00 O ATOM 578 OD2 ASP A 42 -3.766 2.626 12.687 1.00 0.00 O ATOM 0 H ASP A 42 -1.936 2.095 8.403 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.781 3.599 10.639 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.101 2.069 10.302 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.034 1.001 11.193 1.00 0.00 H new ATOM 583 N ARG A 43 1.107 2.046 11.165 1.00 0.00 N ATOM 584 CA ARG A 43 2.275 1.215 11.398 1.00 0.00 C ATOM 585 C ARG A 43 1.863 -0.252 11.543 1.00 0.00 C ATOM 586 O ARG A 43 2.397 -1.121 10.856 1.00 0.00 O ATOM 587 CB ARG A 43 3.022 1.654 12.658 1.00 0.00 C ATOM 588 CG ARG A 43 4.245 0.770 12.908 1.00 0.00 C ATOM 589 CD ARG A 43 5.362 1.559 13.595 1.00 0.00 C ATOM 590 NE ARG A 43 6.546 0.694 13.790 1.00 0.00 N ATOM 591 CZ ARG A 43 7.763 1.149 14.120 1.00 0.00 C ATOM 592 NH1 ARG A 43 7.962 2.463 14.293 1.00 0.00 N ATOM 593 NH2 ARG A 43 8.780 0.291 14.276 1.00 0.00 N ATOM 0 H ARG A 43 1.112 2.937 11.661 1.00 0.00 H new ATOM 0 HA ARG A 43 2.937 1.327 10.540 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.335 2.693 12.556 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.353 1.606 13.517 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.962 -0.081 13.528 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.608 0.369 11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.630 2.426 12.991 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.014 1.936 14.557 1.00 0.00 H new ATOM 0 HE ARG A 43 6.429 -0.312 13.666 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.188 3.116 14.174 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.888 2.810 14.544 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.628 -0.709 14.144 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.706 0.638 14.527 1.00 0.00 H new ATOM 607 N THR A 44 0.916 -0.481 12.441 1.00 0.00 N ATOM 608 CA THR A 44 0.426 -1.827 12.684 1.00 0.00 C ATOM 609 C THR A 44 -0.056 -2.463 11.380 1.00 0.00 C ATOM 610 O THR A 44 0.431 -3.521 10.983 1.00 0.00 O ATOM 611 CB THR A 44 -0.660 -1.747 13.759 1.00 0.00 C ATOM 612 OG1 THR A 44 0.047 -1.379 14.940 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.254 -3.117 14.093 1.00 0.00 C ATOM 0 H THR A 44 0.475 0.243 13.009 1.00 0.00 H new ATOM 0 HA THR A 44 1.220 -2.477 13.051 1.00 0.00 H new ATOM 0 HB THR A 44 -1.453 -1.078 13.425 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.582 -1.303 15.688 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.019 -3.004 14.861 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.700 -3.549 13.197 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.467 -3.775 14.460 1.00 0.00 H new ATOM 621 N GLN A 45 -1.008 -1.792 10.748 1.00 0.00 N ATOM 622 CA GLN A 45 -1.562 -2.279 9.496 1.00 0.00 C ATOM 623 C GLN A 45 -0.438 -2.697 8.545 1.00 0.00 C ATOM 624 O GLN A 45 -0.540 -3.720 7.870 1.00 0.00 O ATOM 625 CB GLN A 45 -2.464 -1.226 8.849 1.00 0.00 C ATOM 626 CG GLN A 45 -3.671 -0.918 9.737 1.00 0.00 C ATOM 627 CD GLN A 45 -4.980 -1.110 8.968 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.453 -0.230 8.267 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.537 -2.306 9.137 1.00 0.00 N ATOM 0 H GLN A 45 -1.410 -0.915 11.080 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.176 -3.154 9.709 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.895 -0.313 8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.805 -1.582 7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.660 -1.569 10.611 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.606 0.107 10.102 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.088 -2.997 9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.413 -2.532 8.666 1.00 0.00 H new ATOM 638 N VAL A 46 0.608 -1.884 8.522 1.00 0.00 N ATOM 639 CA VAL A 46 1.749 -2.156 7.666 1.00 0.00 C ATOM 640 C VAL A 46 2.390 -3.482 8.084 1.00 0.00 C ATOM 641 O VAL A 46 2.583 -4.370 7.255 1.00 0.00 O ATOM 642 CB VAL A 46 2.727 -0.980 7.707 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.941 -1.245 6.814 1.00 0.00 C ATOM 644 CG2 VAL A 46 2.032 0.325 7.315 1.00 0.00 C ATOM 0 H VAL A 46 0.689 -1.036 9.083 1.00 0.00 H new ATOM 0 HA VAL A 46 1.432 -2.261 6.629 1.00 0.00 H new ATOM 0 HB VAL A 46 3.082 -0.875 8.732 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.620 -0.394 6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.457 -2.141 7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.611 -1.389 5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.749 1.145 7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.635 0.236 6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.216 0.525 8.009 1.00 0.00 H new ATOM 654 N GLU A 47 2.701 -3.573 9.368 1.00 0.00 N ATOM 655 CA GLU A 47 3.316 -4.774 9.906 1.00 0.00 C ATOM 656 C GLU A 47 2.430 -5.992 9.632 1.00 0.00 C ATOM 657 O GLU A 47 2.860 -6.942 8.979 1.00 0.00 O ATOM 658 CB GLU A 47 3.595 -4.625 11.403 1.00 0.00 C ATOM 659 CG GLU A 47 4.677 -3.573 11.656 1.00 0.00 C ATOM 660 CD GLU A 47 5.447 -3.878 12.943 1.00 0.00 C ATOM 661 OE1 GLU A 47 4.770 -4.089 13.972 1.00 0.00 O ATOM 662 OE2 GLU A 47 6.695 -3.892 12.868 1.00 0.00 O ATOM 0 H GLU A 47 2.539 -2.834 10.052 1.00 0.00 H new ATOM 0 HA GLU A 47 4.273 -4.924 9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.679 -4.342 11.921 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.911 -5.583 11.815 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.367 -3.546 10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.220 -2.586 11.726 1.00 0.00 H new ATOM 669 N VAL A 48 1.211 -5.923 10.145 1.00 0.00 N ATOM 670 CA VAL A 48 0.261 -7.008 9.964 1.00 0.00 C ATOM 671 C VAL A 48 0.296 -7.473 8.507 1.00 0.00 C ATOM 672 O VAL A 48 0.404 -8.668 8.235 1.00 0.00 O ATOM 673 CB VAL A 48 -1.132 -6.565 10.417 1.00 0.00 C ATOM 674 CG1 VAL A 48 -2.188 -7.606 10.040 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.154 -6.280 11.920 1.00 0.00 C ATOM 0 H VAL A 48 0.859 -5.133 10.686 1.00 0.00 H new ATOM 0 HA VAL A 48 0.534 -7.862 10.584 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.375 -5.639 9.897 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.169 -7.267 10.373 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.198 -7.739 8.958 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.950 -8.556 10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.155 -5.967 12.216 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.880 -7.183 12.466 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.443 -5.487 12.150 1.00 0.00 H new ATOM 685 N ALA A 49 0.202 -6.504 7.608 1.00 0.00 N ATOM 686 CA ALA A 49 0.221 -6.799 6.185 1.00 0.00 C ATOM 687 C ALA A 49 1.597 -7.348 5.801 1.00 0.00 C ATOM 688 O ALA A 49 1.714 -8.493 5.367 1.00 0.00 O ATOM 689 CB ALA A 49 -0.145 -5.540 5.397 1.00 0.00 C ATOM 0 H ALA A 49 0.112 -5.514 7.837 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.518 -7.562 5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.131 -5.762 4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.142 -5.207 5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.577 -4.752 5.614 1.00 0.00 H new ATOM 695 N LEU A 50 2.604 -6.505 5.974 1.00 0.00 N ATOM 696 CA LEU A 50 3.967 -6.891 5.651 1.00 0.00 C ATOM 697 C LEU A 50 4.190 -8.349 6.057 1.00 0.00 C ATOM 698 O LEU A 50 4.969 -9.061 5.426 1.00 0.00 O ATOM 699 CB LEU A 50 4.964 -5.917 6.283 1.00 0.00 C ATOM 700 CG LEU A 50 5.486 -4.805 5.371 1.00 0.00 C ATOM 701 CD1 LEU A 50 6.155 -3.696 6.186 1.00 0.00 C ATOM 702 CD2 LEU A 50 6.419 -5.369 4.298 1.00 0.00 C ATOM 0 H LEU A 50 2.503 -5.556 6.334 1.00 0.00 H new ATOM 0 HA LEU A 50 4.135 -6.830 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.491 -5.456 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.816 -6.488 6.650 1.00 0.00 H new ATOM 0 HG LEU A 50 4.635 -4.358 4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.517 -2.918 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.432 -3.268 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.993 -4.111 6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.776 -4.558 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.269 -5.857 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.878 -6.094 3.690 1.00 0.00 H new ATOM 714 N ALA A 51 3.490 -8.750 7.109 1.00 0.00 N ATOM 715 CA ALA A 51 3.602 -10.110 7.607 1.00 0.00 C ATOM 716 C ALA A 51 2.977 -11.072 6.595 1.00 0.00 C ATOM 717 O ALA A 51 3.670 -11.910 6.019 1.00 0.00 O ATOM 718 CB ALA A 51 2.943 -10.206 8.985 1.00 0.00 C ATOM 0 H ALA A 51 2.844 -8.157 7.629 1.00 0.00 H new ATOM 0 HA ALA A 51 4.649 -10.390 7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.027 -11.227 9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.441 -9.525 9.675 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.890 -9.935 8.905 1.00 0.00 H new ATOM 724 N ALA A 52 1.674 -10.920 6.408 1.00 0.00 N ATOM 725 CA ALA A 52 0.947 -11.765 5.476 1.00 0.00 C ATOM 726 C ALA A 52 1.521 -11.576 4.070 1.00 0.00 C ATOM 727 O ALA A 52 1.356 -12.436 3.207 1.00 0.00 O ATOM 728 CB ALA A 52 -0.545 -11.437 5.545 1.00 0.00 C ATOM 0 H ALA A 52 1.103 -10.224 6.887 1.00 0.00 H new ATOM 0 HA ALA A 52 1.062 -12.816 5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.090 -12.071 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.910 -11.615 6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.700 -10.391 5.282 1.00 0.00 H new ATOM 734 N ALA A 53 2.184 -10.443 3.883 1.00 0.00 N ATOM 735 CA ALA A 53 2.783 -10.130 2.597 1.00 0.00 C ATOM 736 C ALA A 53 4.105 -10.887 2.458 1.00 0.00 C ATOM 737 O ALA A 53 4.713 -10.889 1.388 1.00 0.00 O ATOM 738 CB ALA A 53 2.961 -8.616 2.472 1.00 0.00 C ATOM 0 H ALA A 53 2.319 -9.731 4.601 1.00 0.00 H new ATOM 0 HA ALA A 53 2.133 -10.450 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.410 -8.381 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.989 -8.128 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.610 -8.259 3.271 1.00 0.00 H new ATOM 744 N ASP A 54 4.512 -11.511 3.553 1.00 0.00 N ATOM 745 CA ASP A 54 5.751 -12.269 3.567 1.00 0.00 C ATOM 746 C ASP A 54 6.933 -11.310 3.410 1.00 0.00 C ATOM 747 O ASP A 54 7.917 -11.635 2.749 1.00 0.00 O ATOM 748 CB ASP A 54 5.797 -13.269 2.409 1.00 0.00 C ATOM 749 CG ASP A 54 6.821 -14.395 2.568 1.00 0.00 C ATOM 750 OD1 ASP A 54 7.317 -14.555 3.704 1.00 0.00 O ATOM 751 OD2 ASP A 54 7.084 -15.070 1.550 1.00 0.00 O ATOM 0 H ASP A 54 4.005 -11.507 4.438 1.00 0.00 H new ATOM 0 HA ASP A 54 5.806 -12.808 4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.808 -13.712 2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.015 -12.727 1.489 1.00 0.00 H new ATOM 756 N ASP A 55 6.796 -10.147 4.031 1.00 0.00 N ATOM 757 CA ASP A 55 7.840 -9.139 3.969 1.00 0.00 C ATOM 758 C ASP A 55 7.787 -8.439 2.609 1.00 0.00 C ATOM 759 O ASP A 55 8.775 -7.854 2.169 1.00 0.00 O ATOM 760 CB ASP A 55 9.225 -9.770 4.122 1.00 0.00 C ATOM 761 CG ASP A 55 10.322 -8.815 4.598 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.001 -7.618 4.760 1.00 0.00 O ATOM 763 OD2 ASP A 55 11.456 -9.304 4.790 1.00 0.00 O ATOM 0 H ASP A 55 5.978 -9.881 4.579 1.00 0.00 H new ATOM 0 HA ASP A 55 7.674 -8.432 4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.154 -10.598 4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.523 -10.192 3.162 1.00 0.00 H new ATOM 768 N ASP A 56 6.623 -8.523 1.981 1.00 0.00 N ATOM 769 CA ASP A 56 6.429 -7.905 0.681 1.00 0.00 C ATOM 770 C ASP A 56 5.774 -6.534 0.865 1.00 0.00 C ATOM 771 O ASP A 56 4.835 -6.391 1.646 1.00 0.00 O ATOM 772 CB ASP A 56 5.509 -8.753 -0.200 1.00 0.00 C ATOM 773 CG ASP A 56 5.400 -8.291 -1.655 1.00 0.00 C ATOM 774 OD1 ASP A 56 5.123 -7.087 -1.848 1.00 0.00 O ATOM 775 OD2 ASP A 56 5.596 -9.151 -2.540 1.00 0.00 O ATOM 0 H ASP A 56 5.805 -9.010 2.349 1.00 0.00 H new ATOM 0 HA ASP A 56 7.404 -7.814 0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.867 -9.783 -0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.512 -8.757 0.240 1.00 0.00 H new ATOM 780 N LEU A 57 6.297 -5.561 0.132 1.00 0.00 N ATOM 781 CA LEU A 57 5.775 -4.207 0.205 1.00 0.00 C ATOM 782 C LEU A 57 4.672 -4.033 -0.841 1.00 0.00 C ATOM 783 O LEU A 57 3.522 -3.766 -0.497 1.00 0.00 O ATOM 784 CB LEU A 57 6.910 -3.188 0.078 1.00 0.00 C ATOM 785 CG LEU A 57 6.560 -1.746 0.449 1.00 0.00 C ATOM 786 CD1 LEU A 57 5.326 -1.695 1.352 1.00 0.00 C ATOM 787 CD2 LEU A 57 7.760 -1.035 1.077 1.00 0.00 C ATOM 0 H LEU A 57 7.076 -5.684 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 57 5.322 -4.025 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.737 -3.514 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.270 -3.201 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 57 6.310 -1.209 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.100 -0.658 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.476 -2.138 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.522 -2.253 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.484 -0.012 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.065 -1.564 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.587 -1.022 0.368 1.00 0.00 H new ATOM 799 N THR A 58 5.063 -4.191 -2.098 1.00 0.00 N ATOM 800 CA THR A 58 4.122 -4.055 -3.196 1.00 0.00 C ATOM 801 C THR A 58 2.810 -4.771 -2.867 1.00 0.00 C ATOM 802 O THR A 58 1.733 -4.296 -3.224 1.00 0.00 O ATOM 803 CB THR A 58 4.798 -4.577 -4.465 1.00 0.00 C ATOM 804 OG1 THR A 58 5.528 -3.457 -4.957 1.00 0.00 O ATOM 805 CG2 THR A 58 3.794 -4.886 -5.579 1.00 0.00 C ATOM 0 H THR A 58 6.018 -4.412 -2.379 1.00 0.00 H new ATOM 0 HA THR A 58 3.853 -3.011 -3.359 1.00 0.00 H new ATOM 0 HB THR A 58 5.367 -5.476 -4.229 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.999 -3.709 -5.779 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.326 -5.253 -6.457 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.092 -5.646 -5.236 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.248 -3.979 -5.839 1.00 0.00 H new ATOM 813 N VAL A 59 2.944 -5.902 -2.190 1.00 0.00 N ATOM 814 CA VAL A 59 1.783 -6.688 -1.809 1.00 0.00 C ATOM 815 C VAL A 59 1.135 -6.065 -0.571 1.00 0.00 C ATOM 816 O VAL A 59 -0.089 -5.982 -0.483 1.00 0.00 O ATOM 817 CB VAL A 59 2.186 -8.149 -1.602 1.00 0.00 C ATOM 818 CG1 VAL A 59 0.973 -9.006 -1.233 1.00 0.00 C ATOM 819 CG2 VAL A 59 2.893 -8.704 -2.840 1.00 0.00 C ATOM 0 H VAL A 59 3.839 -6.293 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 59 1.038 -6.680 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 59 2.889 -8.187 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.288 -10.040 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.530 -8.632 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.236 -8.957 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.169 -9.744 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.224 -8.645 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.791 -8.119 -3.039 1.00 0.00 H new ATOM 829 N ALA A 60 1.985 -5.644 0.354 1.00 0.00 N ATOM 830 CA ALA A 60 1.510 -5.031 1.582 1.00 0.00 C ATOM 831 C ALA A 60 0.634 -3.824 1.240 1.00 0.00 C ATOM 832 O ALA A 60 -0.513 -3.741 1.677 1.00 0.00 O ATOM 833 CB ALA A 60 2.705 -4.653 2.460 1.00 0.00 C ATOM 0 H ALA A 60 3.000 -5.715 0.277 1.00 0.00 H new ATOM 0 HA ALA A 60 0.898 -5.733 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.348 -4.193 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.278 -5.549 2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.341 -3.948 1.925 1.00 0.00 H new ATOM 839 N VAL A 61 1.207 -2.919 0.461 1.00 0.00 N ATOM 840 CA VAL A 61 0.493 -1.721 0.054 1.00 0.00 C ATOM 841 C VAL A 61 -0.922 -2.100 -0.388 1.00 0.00 C ATOM 842 O VAL A 61 -1.883 -1.399 -0.076 1.00 0.00 O ATOM 843 CB VAL A 61 1.281 -0.984 -1.031 1.00 0.00 C ATOM 844 CG1 VAL A 61 1.567 -1.904 -2.220 1.00 0.00 C ATOM 845 CG2 VAL A 61 0.546 0.280 -1.480 1.00 0.00 C ATOM 0 H VAL A 61 2.158 -2.991 0.101 1.00 0.00 H new ATOM 0 HA VAL A 61 0.398 -1.031 0.892 1.00 0.00 H new ATOM 0 HB VAL A 61 2.237 -0.681 -0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.128 -1.356 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.151 -2.761 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.626 -2.251 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.128 0.785 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.431 0.010 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.417 0.948 -0.628 1.00 0.00 H new ATOM 855 N GLU A 62 -1.005 -3.210 -1.107 1.00 0.00 N ATOM 856 CA GLU A 62 -2.286 -3.691 -1.595 1.00 0.00 C ATOM 857 C GLU A 62 -3.182 -4.096 -0.423 1.00 0.00 C ATOM 858 O GLU A 62 -4.386 -3.845 -0.443 1.00 0.00 O ATOM 859 CB GLU A 62 -2.099 -4.856 -2.569 1.00 0.00 C ATOM 860 CG GLU A 62 -1.301 -4.419 -3.800 1.00 0.00 C ATOM 861 CD GLU A 62 -2.154 -3.549 -4.726 1.00 0.00 C ATOM 862 OE1 GLU A 62 -3.335 -3.914 -4.918 1.00 0.00 O ATOM 863 OE2 GLU A 62 -1.607 -2.540 -5.219 1.00 0.00 O ATOM 0 H GLU A 62 -0.206 -3.790 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.774 -2.881 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.582 -5.674 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.073 -5.236 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.417 -3.864 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.951 -5.298 -4.341 1.00 0.00 H new ATOM 870 N ILE A 63 -2.561 -4.715 0.570 1.00 0.00 N ATOM 871 CA ILE A 63 -3.288 -5.156 1.748 1.00 0.00 C ATOM 872 C ILE A 63 -3.743 -3.934 2.548 1.00 0.00 C ATOM 873 O ILE A 63 -4.896 -3.859 2.971 1.00 0.00 O ATOM 874 CB ILE A 63 -2.445 -6.143 2.558 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.318 -7.483 1.830 1.00 0.00 C ATOM 876 CG2 ILE A 63 -3.006 -6.311 3.972 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.092 -8.258 2.318 1.00 0.00 C ATOM 0 H ILE A 63 -1.562 -4.922 0.583 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.187 -5.701 1.460 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.440 -5.733 2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.217 -8.077 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.241 -7.312 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.389 -7.018 4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.002 -5.348 4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.027 -6.688 3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.025 -9.206 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.192 -7.672 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.184 -8.449 3.387 1.00 0.00 H new ATOM 889 N LEU A 64 -2.814 -3.008 2.733 1.00 0.00 N ATOM 890 CA LEU A 64 -3.105 -1.793 3.475 1.00 0.00 C ATOM 891 C LEU A 64 -4.313 -1.094 2.847 1.00 0.00 C ATOM 892 O LEU A 64 -5.223 -0.664 3.554 1.00 0.00 O ATOM 893 CB LEU A 64 -1.860 -0.909 3.565 1.00 0.00 C ATOM 894 CG LEU A 64 -0.792 -1.353 4.566 1.00 0.00 C ATOM 895 CD1 LEU A 64 -0.930 -0.595 5.888 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.828 -2.869 4.769 1.00 0.00 C ATOM 0 H LEU A 64 -1.859 -3.075 2.382 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.374 -2.030 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.404 -0.857 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.175 0.102 3.824 1.00 0.00 H new ATOM 0 HG LEU A 64 0.186 -1.106 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.159 -0.930 6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.817 0.474 5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.913 -0.789 6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.059 -3.159 5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.807 -3.162 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.644 -3.368 3.818 1.00 0.00 H new ATOM 908 N MET A 65 -4.281 -1.002 1.525 1.00 0.00 N ATOM 909 CA MET A 65 -5.362 -0.362 0.794 1.00 0.00 C ATOM 910 C MET A 65 -6.715 -0.967 1.175 1.00 0.00 C ATOM 911 O MET A 65 -7.652 -0.242 1.505 1.00 0.00 O ATOM 912 CB MET A 65 -5.131 -0.532 -0.709 1.00 0.00 C ATOM 913 CG MET A 65 -3.903 0.256 -1.168 1.00 0.00 C ATOM 914 SD MET A 65 -4.411 1.754 -1.994 1.00 0.00 S ATOM 915 CE MET A 65 -2.902 2.161 -2.855 1.00 0.00 C ATOM 0 H MET A 65 -3.524 -1.360 0.942 1.00 0.00 H new ATOM 0 HA MET A 65 -5.374 0.697 1.052 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.998 -1.588 -0.943 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.011 -0.193 -1.256 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.275 0.499 -0.310 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.301 -0.354 -1.841 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.045 3.078 -3.426 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.098 2.305 -2.133 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.640 1.349 -3.533 1.00 0.00 H new ATOM 925 N SER A 66 -6.774 -2.289 1.115 1.00 0.00 N ATOM 926 CA SER A 66 -7.997 -2.999 1.450 1.00 0.00 C ATOM 927 C SER A 66 -7.814 -3.768 2.760 1.00 0.00 C ATOM 928 O SER A 66 -8.122 -4.956 2.835 1.00 0.00 O ATOM 929 CB SER A 66 -8.403 -3.955 0.326 1.00 0.00 C ATOM 930 OG SER A 66 -8.769 -3.258 -0.861 1.00 0.00 O ATOM 0 H SER A 66 -5.995 -2.887 0.840 1.00 0.00 H new ATOM 0 HA SER A 66 -8.795 -2.267 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.576 -4.631 0.109 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.239 -4.570 0.658 1.00 0.00 H new ATOM 0 HG SER A 66 -9.020 -3.903 -1.555 1.00 0.00 H new ATOM 936 N GLN A 67 -7.314 -3.058 3.761 1.00 0.00 N ATOM 937 CA GLN A 67 -7.086 -3.658 5.064 1.00 0.00 C ATOM 938 C GLN A 67 -8.318 -3.479 5.953 1.00 0.00 C ATOM 939 O GLN A 67 -8.880 -4.456 6.446 1.00 0.00 O ATOM 940 CB GLN A 67 -5.840 -3.070 5.729 1.00 0.00 C ATOM 941 CG GLN A 67 -4.759 -4.137 5.910 1.00 0.00 C ATOM 942 CD GLN A 67 -4.680 -4.596 7.367 1.00 0.00 C ATOM 943 OE1 GLN A 67 -5.673 -4.925 7.996 1.00 0.00 O ATOM 944 NE2 GLN A 67 -3.448 -4.601 7.867 1.00 0.00 N ATOM 0 H GLN A 67 -7.060 -2.072 3.695 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.913 -4.725 4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.451 -2.253 5.122 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.106 -2.648 6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.974 -4.991 5.267 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.794 -3.738 5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.661 -4.314 7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.290 -4.892 8.832 1.00 0.00 H new ATOM 953 N SER A 68 -8.702 -2.223 6.132 1.00 0.00 N ATOM 954 CA SER A 68 -9.857 -1.903 6.953 1.00 0.00 C ATOM 955 C SER A 68 -10.931 -1.221 6.103 1.00 0.00 C ATOM 956 O SER A 68 -10.687 -0.878 4.947 1.00 0.00 O ATOM 957 CB SER A 68 -9.465 -1.009 8.131 1.00 0.00 C ATOM 958 OG SER A 68 -10.195 -1.332 9.312 1.00 0.00 O ATOM 0 H SER A 68 -8.233 -1.415 5.722 1.00 0.00 H new ATOM 0 HA SER A 68 -10.258 -2.833 7.356 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.397 -1.112 8.325 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.642 0.034 7.869 1.00 0.00 H new ATOM 0 HG SER A 68 -9.915 -0.741 10.042 1.00 0.00 H new ATOM 964 N GLY A 69 -12.096 -1.045 6.708 1.00 0.00 N ATOM 965 CA GLY A 69 -13.208 -0.410 6.021 1.00 0.00 C ATOM 966 C GLY A 69 -12.731 0.785 5.194 1.00 0.00 C ATOM 967 O GLY A 69 -11.630 1.291 5.406 1.00 0.00 O ATOM 0 H GLY A 69 -12.294 -1.331 7.667 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.699 -1.134 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.949 -0.080 6.749 1.00 0.00 H new ATOM 971 N PRO A 70 -13.605 1.213 4.245 1.00 0.00 N ATOM 972 CA PRO A 70 -13.285 2.340 3.385 1.00 0.00 C ATOM 973 C PRO A 70 -13.408 3.662 4.145 1.00 0.00 C ATOM 974 O PRO A 70 -14.245 3.794 5.036 1.00 0.00 O ATOM 975 CB PRO A 70 -14.253 2.232 2.218 1.00 0.00 C ATOM 976 CG PRO A 70 -15.380 1.330 2.694 1.00 0.00 C ATOM 977 CD PRO A 70 -14.918 0.639 3.966 1.00 0.00 C ATOM 0 HA PRO A 70 -12.254 2.321 3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.632 3.213 1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.761 1.813 1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -16.282 1.913 2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -15.629 0.595 1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -15.611 0.818 4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.857 -0.441 3.830 1.00 0.00 H new ATOM 985 N SER A 71 -12.562 4.608 3.764 1.00 0.00 N ATOM 986 CA SER A 71 -12.566 5.915 4.398 1.00 0.00 C ATOM 987 C SER A 71 -12.745 5.763 5.910 1.00 0.00 C ATOM 988 O SER A 71 -13.871 5.737 6.405 1.00 0.00 O ATOM 989 CB SER A 71 -13.668 6.805 3.820 1.00 0.00 C ATOM 990 OG SER A 71 -14.965 6.256 4.036 1.00 0.00 O ATOM 0 H SER A 71 -11.869 4.495 3.024 1.00 0.00 H new ATOM 0 HA SER A 71 -11.608 6.394 4.198 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.612 7.794 4.276 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.504 6.937 2.751 1.00 0.00 H new ATOM 0 HG SER A 71 -14.935 5.634 4.793 1.00 0.00 H new ATOM 996 N SER A 72 -11.618 5.667 6.601 1.00 0.00 N ATOM 997 CA SER A 72 -11.637 5.518 8.046 1.00 0.00 C ATOM 998 C SER A 72 -11.823 6.883 8.710 1.00 0.00 C ATOM 999 O SER A 72 -11.345 7.896 8.201 1.00 0.00 O ATOM 1000 CB SER A 72 -10.353 4.854 8.548 1.00 0.00 C ATOM 1001 OG SER A 72 -10.410 3.434 8.441 1.00 0.00 O ATOM 0 H SER A 72 -10.686 5.690 6.187 1.00 0.00 H new ATOM 0 HA SER A 72 -12.475 4.874 8.313 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.504 5.227 7.975 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.183 5.133 9.588 1.00 0.00 H new ATOM 0 HG SER A 72 -9.572 3.047 8.770 1.00 0.00 H new ATOM 1007 N GLY A 73 -12.520 6.868 9.837 1.00 0.00 N ATOM 1008 CA GLY A 73 -12.775 8.092 10.577 1.00 0.00 C ATOM 1009 C GLY A 73 -14.012 7.948 11.466 1.00 0.00 C ATOM 1010 O GLY A 73 -14.645 6.894 11.489 1.00 0.00 O ATOM 0 H GLY A 73 -12.916 6.027 10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.908 8.337 11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.917 8.919 9.881 1.00 0.00 H new TER 1014 GLY A 73