USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 713 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 36 GLN :FLIP amide:sc= -0.279 F(o=-18!,f=-13) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -12.8! C(o=-15!,f=-13!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 17 THR OG1 : rot -170:sc= -1.61! USER MOD Single : A 4 THR OG1 : rot -67:sc= 0.488 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.988! USER MOD Single : A 8 THR OG1 : rot 80:sc= 0.0203 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -56:sc= 0.705 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -2.16! C(o=-2.2!,f=-3.3!) USER MOD Single : A 30 THR OG1 : rot -130:sc= -0.71 USER MOD Single : A 32 TYR OH : rot 92:sc= -4.67! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.007 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 10:sc= 0.314 USER MOD Single : A 56 THR OG1 : rot -22:sc= -4.08! USER MOD Single : A 60 ASN : amide:sc= -0.0403 X(o=-0.04,f=-0.25) USER MOD Single : A 62 SER OG : rot 47:sc= 1.06 USER MOD Single : A 64 SER OG : rot 53:sc= 0.105 USER MOD Single : A 65 THR OG1 : rot -129:sc= -4.09! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 42:sc= 0.0816 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 55:sc= -2.79! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -2.12! C(o=-2.1!,f=-6.6!) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0887 USER MOD ----------------------------------------------------------------- ATOM 21 N PRO A 3 -9.568 -3.381 10.235 1.00 0.00 N ATOM 22 CA PRO A 3 -10.391 -2.232 9.896 1.00 0.00 C ATOM 23 C PRO A 3 -9.872 -1.537 8.636 1.00 0.00 C ATOM 24 O PRO A 3 -8.686 -1.621 8.319 1.00 0.00 O ATOM 25 CB PRO A 3 -10.345 -1.340 11.127 1.00 0.00 C ATOM 26 CG PRO A 3 -9.133 -1.795 11.926 1.00 0.00 C ATOM 27 CD PRO A 3 -8.688 -3.137 11.371 1.00 0.00 C ATOM 0 HA PRO A 3 -11.418 -2.507 9.656 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.256 -0.291 10.846 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.258 -1.437 11.714 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.328 -1.064 11.849 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.383 -1.883 12.983 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.643 -3.111 11.063 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.780 -3.925 12.119 1.00 0.00 H new ATOM 35 N THR A 4 -10.786 -0.865 7.950 1.00 0.00 N ATOM 36 CA THR A 4 -10.435 -0.156 6.731 1.00 0.00 C ATOM 37 C THR A 4 -9.698 -1.088 5.766 1.00 0.00 C ATOM 38 O THR A 4 -9.883 -2.303 5.807 1.00 0.00 O ATOM 39 CB THR A 4 -9.624 1.082 7.120 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.271 0.630 7.100 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.855 1.500 8.573 1.00 0.00 C ATOM 0 H THR A 4 -11.769 -0.797 8.215 1.00 0.00 H new ATOM 0 HA THR A 4 -11.325 0.177 6.196 1.00 0.00 H new ATOM 0 HB THR A 4 -9.883 1.909 6.459 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.134 -0.023 7.818 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.256 2.383 8.797 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.910 1.730 8.722 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.563 0.686 9.237 1.00 0.00 H new ATOM 49 N ALA A 5 -8.878 -0.482 4.919 1.00 0.00 N ATOM 50 CA ALA A 5 -8.111 -1.241 3.947 1.00 0.00 C ATOM 51 C ALA A 5 -6.946 -1.938 4.652 1.00 0.00 C ATOM 52 O ALA A 5 -6.180 -1.301 5.371 1.00 0.00 O ATOM 53 CB ALA A 5 -7.642 -0.310 2.827 1.00 0.00 C ATOM 0 H ALA A 5 -8.729 0.526 4.886 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.729 -2.014 3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.066 -0.880 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.508 0.136 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.017 0.478 3.247 1.00 0.00 H new ATOM 59 N THR A 6 -6.852 -3.239 4.422 1.00 0.00 N ATOM 60 CA THR A 6 -5.794 -4.032 5.027 1.00 0.00 C ATOM 61 C THR A 6 -5.416 -5.201 4.116 1.00 0.00 C ATOM 62 O THR A 6 -6.000 -5.375 3.047 1.00 0.00 O ATOM 63 CB THR A 6 -6.265 -4.470 6.415 1.00 0.00 C ATOM 64 OG1 THR A 6 -5.920 -5.850 6.479 1.00 0.00 O ATOM 65 CG2 THR A 6 -7.790 -4.458 6.546 1.00 0.00 C ATOM 0 H THR A 6 -7.491 -3.765 3.825 1.00 0.00 H new ATOM 0 HA THR A 6 -4.882 -3.447 5.148 1.00 0.00 H new ATOM 0 HB THR A 6 -5.831 -3.814 7.170 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.189 -6.214 7.348 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.071 -4.777 7.550 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.163 -3.449 6.368 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.223 -5.139 5.814 1.00 0.00 H new ATOM 73 N VAL A 7 -4.443 -5.976 4.574 1.00 0.00 N ATOM 74 CA VAL A 7 -3.981 -7.124 3.814 1.00 0.00 C ATOM 75 C VAL A 7 -4.308 -8.405 4.585 1.00 0.00 C ATOM 76 O VAL A 7 -3.958 -8.534 5.758 1.00 0.00 O ATOM 77 CB VAL A 7 -2.491 -6.979 3.500 1.00 0.00 C ATOM 78 CG1 VAL A 7 -1.857 -8.341 3.205 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.268 -6.008 2.339 1.00 0.00 C ATOM 0 H VAL A 7 -3.962 -5.831 5.462 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.497 -7.180 2.855 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.002 -6.566 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.798 -8.209 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.969 -8.990 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.352 -8.795 2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.200 -5.923 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.778 -6.380 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.667 -5.028 2.602 1.00 0.00 H new ATOM 89 N THR A 8 -4.973 -9.319 3.896 1.00 0.00 N ATOM 90 CA THR A 8 -5.350 -10.586 4.500 1.00 0.00 C ATOM 91 C THR A 8 -4.264 -11.060 5.468 1.00 0.00 C ATOM 92 O THR A 8 -4.467 -11.066 6.681 1.00 0.00 O ATOM 93 CB THR A 8 -5.639 -11.581 3.375 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.047 -11.482 3.175 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.427 -13.034 3.809 1.00 0.00 C ATOM 0 H THR A 8 -5.261 -9.208 2.924 1.00 0.00 H new ATOM 0 HA THR A 8 -6.254 -10.483 5.101 1.00 0.00 H new ATOM 0 HB THR A 8 -4.998 -11.359 2.522 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.246 -10.689 2.634 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.646 -13.699 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.392 -13.173 4.122 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.092 -13.266 4.641 1.00 0.00 H new ATOM 103 N PRO A 9 -3.105 -11.455 4.878 1.00 0.00 N ATOM 104 CA PRO A 9 -1.985 -11.930 5.674 1.00 0.00 C ATOM 105 C PRO A 9 -1.276 -10.767 6.370 1.00 0.00 C ATOM 106 O PRO A 9 -1.843 -9.685 6.515 1.00 0.00 O ATOM 107 CB PRO A 9 -1.090 -12.670 4.692 1.00 0.00 C ATOM 108 CG PRO A 9 -1.499 -12.188 3.310 1.00 0.00 C ATOM 109 CD PRO A 9 -2.828 -11.461 3.444 1.00 0.00 C ATOM 0 HA PRO A 9 -2.294 -12.590 6.485 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.039 -12.457 4.885 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.218 -13.749 4.783 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.740 -11.523 2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.592 -13.030 2.624 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.766 -10.447 3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.616 -11.972 2.891 1.00 0.00 H new ATOM 117 N SER A 10 -0.042 -11.029 6.783 1.00 0.00 N ATOM 118 CA SER A 10 0.750 -10.018 7.460 1.00 0.00 C ATOM 119 C SER A 10 2.199 -10.074 6.969 1.00 0.00 C ATOM 120 O SER A 10 2.803 -9.041 6.686 1.00 0.00 O ATOM 121 CB SER A 10 0.695 -10.201 8.977 1.00 0.00 C ATOM 122 OG SER A 10 0.452 -8.970 9.654 1.00 0.00 O ATOM 0 H SER A 10 0.426 -11.927 6.661 1.00 0.00 H new ATOM 0 HA SER A 10 0.331 -9.040 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.090 -10.914 9.228 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.636 -10.627 9.325 1.00 0.00 H new ATOM 0 HG SER A 10 0.422 -9.129 10.621 1.00 0.00 H new ATOM 128 N SER A 11 2.714 -11.292 6.888 1.00 0.00 N ATOM 129 CA SER A 11 4.081 -11.498 6.438 1.00 0.00 C ATOM 130 C SER A 11 4.234 -11.015 4.993 1.00 0.00 C ATOM 131 O SER A 11 4.324 -11.824 4.071 1.00 0.00 O ATOM 132 CB SER A 11 4.483 -12.969 6.549 1.00 0.00 C ATOM 133 OG SER A 11 5.662 -13.259 5.802 1.00 0.00 O ATOM 0 H SER A 11 2.210 -12.146 7.126 1.00 0.00 H new ATOM 0 HA SER A 11 4.743 -10.919 7.082 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.646 -13.222 7.597 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.665 -13.596 6.193 1.00 0.00 H new ATOM 0 HG SER A 11 5.528 -13.002 4.866 1.00 0.00 H new ATOM 139 N GLY A 12 4.258 -9.699 4.842 1.00 0.00 N ATOM 140 CA GLY A 12 4.399 -9.099 3.525 1.00 0.00 C ATOM 141 C GLY A 12 5.726 -9.500 2.879 1.00 0.00 C ATOM 142 O GLY A 12 5.956 -9.227 1.702 1.00 0.00 O ATOM 0 H GLY A 12 4.182 -9.031 5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.571 -9.412 2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.344 -8.014 3.608 1.00 0.00 H new ATOM 146 N LEU A 13 6.568 -10.143 3.678 1.00 0.00 N ATOM 147 CA LEU A 13 7.865 -10.585 3.197 1.00 0.00 C ATOM 148 C LEU A 13 7.693 -11.867 2.381 1.00 0.00 C ATOM 149 O LEU A 13 8.372 -12.861 2.627 1.00 0.00 O ATOM 150 CB LEU A 13 8.846 -10.726 4.363 1.00 0.00 C ATOM 151 CG LEU A 13 8.785 -9.629 5.427 1.00 0.00 C ATOM 152 CD1 LEU A 13 8.595 -10.230 6.821 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.018 -8.726 5.355 1.00 0.00 C ATOM 0 H LEU A 13 6.376 -10.367 4.654 1.00 0.00 H new ATOM 0 HA LEU A 13 8.299 -9.840 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.667 -11.686 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.858 -10.757 3.959 1.00 0.00 H new ATOM 0 HG LEU A 13 7.916 -9.003 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.555 -9.430 7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.664 -10.797 6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.430 -10.892 7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.949 -7.955 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.916 -9.322 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.069 -8.257 4.372 1.00 0.00 H new ATOM 165 N SER A 14 6.779 -11.802 1.421 1.00 0.00 N ATOM 166 CA SER A 14 6.509 -12.944 0.566 1.00 0.00 C ATOM 167 C SER A 14 6.635 -12.538 -0.904 1.00 0.00 C ATOM 168 O SER A 14 5.924 -11.648 -1.369 1.00 0.00 O ATOM 169 CB SER A 14 5.120 -13.521 0.840 1.00 0.00 C ATOM 170 OG SER A 14 5.180 -14.884 1.253 1.00 0.00 O ATOM 0 H SER A 14 6.217 -10.975 1.218 1.00 0.00 H new ATOM 0 HA SER A 14 7.244 -13.718 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.628 -12.930 1.612 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.510 -13.441 -0.060 1.00 0.00 H new ATOM 0 HG SER A 14 4.273 -15.216 1.420 1.00 0.00 H new ATOM 176 N ASP A 15 7.544 -13.211 -1.595 1.00 0.00 N ATOM 177 CA ASP A 15 7.770 -12.931 -3.003 1.00 0.00 C ATOM 178 C ASP A 15 6.438 -12.587 -3.671 1.00 0.00 C ATOM 179 O ASP A 15 5.706 -13.477 -4.101 1.00 0.00 O ATOM 180 CB ASP A 15 8.357 -14.151 -3.719 1.00 0.00 C ATOM 181 CG ASP A 15 7.481 -15.405 -3.681 1.00 0.00 C ATOM 182 OD1 ASP A 15 7.478 -16.124 -4.704 1.00 0.00 O ATOM 183 OD2 ASP A 15 6.837 -15.616 -2.632 1.00 0.00 O ATOM 0 H ASP A 15 8.132 -13.949 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 15 8.470 -12.099 -3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.544 -13.888 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.323 -14.387 -3.272 1.00 0.00 H new ATOM 189 N GLY A 16 6.166 -11.292 -3.740 1.00 0.00 N ATOM 190 CA GLY A 16 4.934 -10.817 -4.349 1.00 0.00 C ATOM 191 C GLY A 16 3.756 -11.723 -3.982 1.00 0.00 C ATOM 192 O GLY A 16 3.233 -12.441 -4.831 1.00 0.00 O ATOM 0 H GLY A 16 6.777 -10.557 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.730 -9.798 -4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.049 -10.784 -5.432 1.00 0.00 H new ATOM 196 N THR A 17 3.374 -11.659 -2.714 1.00 0.00 N ATOM 197 CA THR A 17 2.269 -12.462 -2.224 1.00 0.00 C ATOM 198 C THR A 17 0.934 -11.850 -2.651 1.00 0.00 C ATOM 199 O THR A 17 0.609 -10.729 -2.261 1.00 0.00 O ATOM 200 CB THR A 17 2.418 -12.599 -0.708 1.00 0.00 C ATOM 201 OG1 THR A 17 2.563 -14.000 -0.497 1.00 0.00 O ATOM 202 CG2 THR A 17 1.135 -12.240 0.042 1.00 0.00 C ATOM 0 H THR A 17 3.812 -11.062 -2.012 1.00 0.00 H new ATOM 0 HA THR A 17 2.285 -13.462 -2.657 1.00 0.00 H new ATOM 0 HB THR A 17 3.230 -11.958 -0.365 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.507 -14.194 0.462 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.296 -12.354 1.114 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.863 -11.207 -0.176 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.330 -12.902 -0.277 1.00 0.00 H new ATOM 210 N VAL A 18 0.196 -12.613 -3.443 1.00 0.00 N ATOM 211 CA VAL A 18 -1.097 -12.158 -3.924 1.00 0.00 C ATOM 212 C VAL A 18 -2.170 -12.487 -2.883 1.00 0.00 C ATOM 213 O VAL A 18 -2.451 -13.656 -2.624 1.00 0.00 O ATOM 214 CB VAL A 18 -1.390 -12.772 -5.298 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.298 -11.859 -6.123 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.091 -13.077 -6.047 1.00 0.00 C ATOM 0 H VAL A 18 0.468 -13.542 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.095 -11.076 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.916 -13.714 -5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.491 -12.317 -7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.241 -11.713 -5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.810 -10.895 -6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.325 -13.512 -7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.473 -12.155 -6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.506 -13.782 -5.468 1.00 0.00 H new ATOM 226 N VAL A 19 -2.741 -11.435 -2.317 1.00 0.00 N ATOM 227 CA VAL A 19 -3.775 -11.597 -1.309 1.00 0.00 C ATOM 228 C VAL A 19 -4.929 -10.637 -1.612 1.00 0.00 C ATOM 229 O VAL A 19 -4.954 -10.002 -2.665 1.00 0.00 O ATOM 230 CB VAL A 19 -3.183 -11.396 0.086 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.086 -12.423 0.368 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.657 -9.970 0.260 1.00 0.00 C ATOM 0 H VAL A 19 -2.508 -10.467 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.177 -12.610 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.981 -11.549 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.681 -12.258 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.504 -13.428 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.290 -12.316 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.242 -9.855 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.880 -9.776 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.474 -9.262 0.123 1.00 0.00 H new ATOM 242 N LYS A 20 -5.858 -10.565 -0.669 1.00 0.00 N ATOM 243 CA LYS A 20 -7.011 -9.695 -0.822 1.00 0.00 C ATOM 244 C LYS A 20 -6.939 -8.572 0.216 1.00 0.00 C ATOM 245 O LYS A 20 -6.655 -8.820 1.386 1.00 0.00 O ATOM 246 CB LYS A 20 -8.307 -10.507 -0.761 1.00 0.00 C ATOM 247 CG LYS A 20 -9.419 -9.828 -1.563 1.00 0.00 C ATOM 248 CD LYS A 20 -10.731 -10.602 -1.446 1.00 0.00 C ATOM 249 CE LYS A 20 -11.346 -10.436 -0.054 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.419 -11.430 0.162 1.00 0.00 N ATOM 0 H LYS A 20 -5.835 -11.095 0.202 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.004 -9.223 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.131 -11.509 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.620 -10.621 0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.561 -8.809 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.126 -9.759 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.433 -10.250 -2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.552 -11.659 -1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.575 -10.554 0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.749 -9.429 0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.825 -11.302 1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.163 -11.299 -0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.025 -12.389 0.080 1.00 0.00 H new ATOM 264 N VAL A 21 -7.200 -7.359 -0.253 1.00 0.00 N ATOM 265 CA VAL A 21 -7.168 -6.198 0.620 1.00 0.00 C ATOM 266 C VAL A 21 -8.593 -5.683 0.828 1.00 0.00 C ATOM 267 O VAL A 21 -9.152 -5.017 -0.041 1.00 0.00 O ATOM 268 CB VAL A 21 -6.228 -5.137 0.044 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.561 -3.751 0.599 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.765 -5.498 0.312 1.00 0.00 C ATOM 0 H VAL A 21 -7.434 -7.156 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.773 -6.467 1.600 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.374 -5.110 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.878 -3.015 0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.586 -3.490 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.456 -3.759 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.118 -4.728 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.598 -5.566 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.536 -6.457 -0.152 1.00 0.00 H new ATOM 280 N ALA A 22 -9.144 -6.012 1.990 1.00 0.00 N ATOM 281 CA ALA A 22 -10.493 -5.591 2.323 1.00 0.00 C ATOM 282 C ALA A 22 -10.446 -4.207 2.972 1.00 0.00 C ATOM 283 O ALA A 22 -9.633 -3.962 3.864 1.00 0.00 O ATOM 284 CB ALA A 22 -11.145 -6.638 3.230 1.00 0.00 C ATOM 0 H ALA A 22 -8.679 -6.565 2.710 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.103 -5.512 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.158 -6.322 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.181 -7.596 2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.561 -6.742 4.144 1.00 0.00 H new ATOM 290 N GLY A 23 -11.325 -3.335 2.499 1.00 0.00 N ATOM 291 CA GLY A 23 -11.392 -1.981 3.023 1.00 0.00 C ATOM 292 C GLY A 23 -12.795 -1.666 3.547 1.00 0.00 C ATOM 293 O GLY A 23 -13.567 -0.973 2.887 1.00 0.00 O ATOM 0 H GLY A 23 -11.996 -3.540 1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.664 -1.861 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.124 -1.271 2.241 1.00 0.00 H new ATOM 297 N ALA A 24 -13.081 -2.190 4.730 1.00 0.00 N ATOM 298 CA ALA A 24 -14.375 -1.972 5.350 1.00 0.00 C ATOM 299 C ALA A 24 -14.326 -0.698 6.195 1.00 0.00 C ATOM 300 O ALA A 24 -13.469 -0.560 7.068 1.00 0.00 O ATOM 301 CB ALA A 24 -14.759 -3.204 6.175 1.00 0.00 C ATOM 0 H ALA A 24 -12.438 -2.765 5.275 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.145 -1.833 4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.731 -3.041 6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.810 -4.076 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.009 -3.372 6.948 1.00 0.00 H new ATOM 307 N GLY A 25 -15.252 0.202 5.904 1.00 0.00 N ATOM 308 CA GLY A 25 -15.323 1.463 6.626 1.00 0.00 C ATOM 309 C GLY A 25 -14.456 2.529 5.954 1.00 0.00 C ATOM 310 O GLY A 25 -14.160 3.562 6.554 1.00 0.00 O ATOM 0 H GLY A 25 -15.960 0.085 5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.357 1.804 6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.993 1.316 7.655 1.00 0.00 H new ATOM 314 N LEU A 26 -14.073 2.243 4.719 1.00 0.00 N ATOM 315 CA LEU A 26 -13.245 3.164 3.961 1.00 0.00 C ATOM 316 C LEU A 26 -14.139 4.208 3.284 1.00 0.00 C ATOM 317 O LEU A 26 -15.169 4.594 3.833 1.00 0.00 O ATOM 318 CB LEU A 26 -12.347 2.400 2.985 1.00 0.00 C ATOM 319 CG LEU A 26 -10.909 2.906 2.860 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.800 4.362 3.314 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.940 1.994 3.619 1.00 0.00 C ATOM 0 H LEU A 26 -14.321 1.386 4.224 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.569 3.703 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.318 1.354 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.809 2.430 1.998 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.625 2.875 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.768 4.698 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.445 4.985 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.109 4.442 4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.924 2.375 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.213 1.971 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.993 0.985 3.209 1.00 0.00 H new ATOM 333 N GLN A 27 -13.710 4.630 2.105 1.00 0.00 N ATOM 334 CA GLN A 27 -14.458 5.621 1.349 1.00 0.00 C ATOM 335 C GLN A 27 -15.685 4.976 0.698 1.00 0.00 C ATOM 336 O GLN A 27 -15.639 4.584 -0.466 1.00 0.00 O ATOM 337 CB GLN A 27 -13.572 6.296 0.300 1.00 0.00 C ATOM 338 CG GLN A 27 -13.337 7.768 0.645 1.00 0.00 C ATOM 339 CD GLN A 27 -12.488 8.454 -0.428 1.00 0.00 C ATOM 340 OE1 GLN A 27 -11.878 7.819 -1.274 1.00 0.00 O ATOM 341 NE2 GLN A 27 -12.484 9.781 -0.346 1.00 0.00 N ATOM 0 H GLN A 27 -12.855 4.305 1.654 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.799 6.393 2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.616 5.776 0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.041 6.219 -0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.294 8.281 0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.839 7.844 1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.017 10.248 0.387 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.948 10.332 -1.017 1.00 0.00 H new ATOM 350 N ALA A 28 -16.751 4.888 1.479 1.00 0.00 N ATOM 351 CA ALA A 28 -17.987 4.299 0.993 1.00 0.00 C ATOM 352 C ALA A 28 -18.571 5.184 -0.110 1.00 0.00 C ATOM 353 O ALA A 28 -18.951 6.327 0.142 1.00 0.00 O ATOM 354 CB ALA A 28 -18.956 4.109 2.162 1.00 0.00 C ATOM 0 H ALA A 28 -16.785 5.215 2.445 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.799 3.316 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.883 3.667 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.506 3.449 2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.169 5.076 2.618 1.00 0.00 H new ATOM 360 N GLY A 29 -18.624 4.624 -1.308 1.00 0.00 N ATOM 361 CA GLY A 29 -19.156 5.348 -2.450 1.00 0.00 C ATOM 362 C GLY A 29 -18.033 6.030 -3.236 1.00 0.00 C ATOM 363 O GLY A 29 -18.194 6.330 -4.419 1.00 0.00 O ATOM 0 H GLY A 29 -18.307 3.677 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.696 4.661 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.873 6.095 -2.110 1.00 0.00 H new ATOM 367 N THR A 30 -16.926 6.258 -2.548 1.00 0.00 N ATOM 368 CA THR A 30 -15.777 6.899 -3.167 1.00 0.00 C ATOM 369 C THR A 30 -14.836 5.849 -3.759 1.00 0.00 C ATOM 370 O THR A 30 -15.119 4.654 -3.705 1.00 0.00 O ATOM 371 CB THR A 30 -15.112 7.791 -2.117 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.889 7.583 -0.942 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.287 9.281 -2.420 1.00 0.00 C ATOM 0 H THR A 30 -16.799 6.011 -1.567 1.00 0.00 H new ATOM 0 HA THR A 30 -16.077 7.528 -4.005 1.00 0.00 H new ATOM 0 HB THR A 30 -14.050 7.554 -2.060 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.143 8.449 -0.560 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.797 9.870 -1.645 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.840 9.511 -3.387 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.349 9.525 -2.444 1.00 0.00 H new ATOM 381 N ALA A 31 -13.732 6.334 -4.308 1.00 0.00 N ATOM 382 CA ALA A 31 -12.744 5.455 -4.909 1.00 0.00 C ATOM 383 C ALA A 31 -11.354 6.071 -4.751 1.00 0.00 C ATOM 384 O ALA A 31 -11.220 7.287 -4.628 1.00 0.00 O ATOM 385 CB ALA A 31 -13.108 5.202 -6.374 1.00 0.00 C ATOM 0 H ALA A 31 -13.500 7.326 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.734 4.489 -4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.366 4.542 -6.825 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.091 4.734 -6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.126 6.149 -6.913 1.00 0.00 H new ATOM 391 N TYR A 32 -10.352 5.205 -4.762 1.00 0.00 N ATOM 392 CA TYR A 32 -8.976 5.650 -4.622 1.00 0.00 C ATOM 393 C TYR A 32 -8.018 4.708 -5.356 1.00 0.00 C ATOM 394 O TYR A 32 -8.452 3.848 -6.123 1.00 0.00 O ATOM 395 CB TYR A 32 -8.668 5.603 -3.125 1.00 0.00 C ATOM 396 CG TYR A 32 -9.541 4.622 -2.338 1.00 0.00 C ATOM 397 CD1 TYR A 32 -9.807 3.371 -2.854 1.00 0.00 C ATOM 398 CD2 TYR A 32 -10.063 4.990 -1.115 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.629 2.446 -2.115 1.00 0.00 C ATOM 400 CE2 TYR A 32 -10.885 4.067 -0.377 1.00 0.00 C ATOM 401 CZ TYR A 32 -11.127 2.841 -0.913 1.00 0.00 C ATOM 402 OH TYR A 32 -11.904 1.970 -0.215 1.00 0.00 O ATOM 0 H TYR A 32 -10.465 4.197 -4.866 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.850 6.647 -5.044 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.621 5.331 -2.989 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.795 6.602 -2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.399 3.084 -3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.855 5.970 -0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.844 1.463 -2.507 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.300 4.342 0.581 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.343 1.449 0.396 1.00 0.00 H new ATOM 412 N ASP A 33 -6.733 4.903 -5.096 1.00 0.00 N ATOM 413 CA ASP A 33 -5.710 4.081 -5.723 1.00 0.00 C ATOM 414 C ASP A 33 -5.099 3.149 -4.677 1.00 0.00 C ATOM 415 O ASP A 33 -4.486 3.608 -3.712 1.00 0.00 O ATOM 416 CB ASP A 33 -4.589 4.947 -6.301 1.00 0.00 C ATOM 417 CG ASP A 33 -5.050 6.243 -6.968 1.00 0.00 C ATOM 418 OD1 ASP A 33 -5.276 7.218 -6.219 1.00 0.00 O ATOM 419 OD2 ASP A 33 -5.167 6.229 -8.212 1.00 0.00 O ATOM 0 H ASP A 33 -6.377 5.617 -4.461 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.178 3.513 -6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.893 5.196 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.035 4.357 -7.032 1.00 0.00 H new ATOM 425 N VAL A 34 -5.285 1.857 -4.900 1.00 0.00 N ATOM 426 CA VAL A 34 -4.758 0.856 -3.987 1.00 0.00 C ATOM 427 C VAL A 34 -3.265 0.658 -4.261 1.00 0.00 C ATOM 428 O VAL A 34 -2.861 0.470 -5.405 1.00 0.00 O ATOM 429 CB VAL A 34 -5.565 -0.440 -4.110 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.855 -1.596 -3.401 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.984 -0.253 -3.570 1.00 0.00 C ATOM 0 H VAL A 34 -5.793 1.479 -5.700 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.858 1.190 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.639 -0.692 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.448 -2.505 -3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.874 -1.751 -3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.736 -1.357 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.537 -1.187 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.939 0.033 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.489 0.529 -4.137 1.00 0.00 H new ATOM 441 N GLY A 35 -2.489 0.708 -3.186 1.00 0.00 N ATOM 442 CA GLY A 35 -1.051 0.537 -3.297 1.00 0.00 C ATOM 443 C GLY A 35 -0.378 0.645 -1.926 1.00 0.00 C ATOM 444 O GLY A 35 -0.978 1.149 -0.977 1.00 0.00 O ATOM 0 H GLY A 35 -2.829 0.864 -2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.830 -0.434 -3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.642 1.293 -3.967 1.00 0.00 H new ATOM 448 N GLN A 36 0.853 0.165 -1.865 1.00 0.00 N ATOM 449 CA GLN A 36 1.610 0.202 -0.626 1.00 0.00 C ATOM 450 C GLN A 36 2.524 1.429 -0.600 1.00 0.00 C ATOM 451 O GLN A 36 3.584 1.433 -1.227 1.00 0.00 O ATOM 452 CB GLN A 36 2.417 -1.085 -0.438 1.00 0.00 C ATOM 453 CG GLN A 36 1.785 -2.246 -1.210 1.00 0.00 C ATOM 454 CD GLN A 36 2.819 -2.937 -2.104 1.00 0.00 C ATOM 455 OE1 GLN A 36 3.342 -2.145 -3.036 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 3.121 -4.108 -1.957 1.00 0.00 N flip ATOM 0 H GLN A 36 1.347 -0.252 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 36 0.908 0.277 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.440 -0.930 -0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.470 -1.334 0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.365 -2.967 -0.509 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.961 -1.876 -1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.681 -4.660 -1.221 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.814 -4.537 -2.570 1.00 0.00 H new ATOM 465 N CYS A 37 2.083 2.439 0.132 1.00 0.00 N ATOM 466 CA CYS A 37 2.847 3.671 0.250 1.00 0.00 C ATOM 467 C CYS A 37 3.436 3.738 1.659 1.00 0.00 C ATOM 468 O CYS A 37 2.892 3.151 2.592 1.00 0.00 O ATOM 469 CB CYS A 37 1.995 4.899 -0.073 1.00 0.00 C ATOM 470 SG CYS A 37 2.945 6.391 -0.543 1.00 0.00 S ATOM 0 H CYS A 37 1.205 2.431 0.651 1.00 0.00 H new ATOM 0 HA CYS A 37 3.656 3.671 -0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.314 4.648 -0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.380 5.136 0.795 1.00 0.00 H new ATOM 475 N ALA A 38 4.540 4.460 1.771 1.00 0.00 N ATOM 476 CA ALA A 38 5.211 4.613 3.051 1.00 0.00 C ATOM 477 C ALA A 38 6.506 5.402 2.853 1.00 0.00 C ATOM 478 O ALA A 38 6.918 5.654 1.724 1.00 0.00 O ATOM 479 CB ALA A 38 5.456 3.233 3.666 1.00 0.00 C ATOM 0 H ALA A 38 4.988 4.947 0.995 1.00 0.00 H new ATOM 0 HA ALA A 38 4.588 5.174 3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.959 3.347 4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.502 2.726 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.081 2.642 2.996 1.00 0.00 H new ATOM 485 N TRP A 39 7.112 5.772 3.974 1.00 0.00 N ATOM 486 CA TRP A 39 8.352 6.528 3.939 1.00 0.00 C ATOM 487 C TRP A 39 9.483 5.565 3.565 1.00 0.00 C ATOM 488 O TRP A 39 9.820 4.670 4.337 1.00 0.00 O ATOM 489 CB TRP A 39 8.594 7.248 5.267 1.00 0.00 C ATOM 490 CG TRP A 39 8.961 6.314 6.423 1.00 0.00 C ATOM 491 CD1 TRP A 39 8.133 5.607 7.206 1.00 0.00 C ATOM 492 CD2 TRP A 39 10.288 6.011 6.895 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.828 4.875 8.146 1.00 0.00 N ATOM 494 CE2 TRP A 39 10.181 5.129 7.952 1.00 0.00 C ATOM 495 CE3 TRP A 39 11.540 6.467 6.448 1.00 0.00 C ATOM 496 CZ2 TRP A 39 11.288 4.626 8.648 1.00 0.00 C ATOM 497 CZ3 TRP A 39 12.637 5.959 7.155 1.00 0.00 C ATOM 498 CH2 TRP A 39 12.545 5.067 8.217 1.00 0.00 C ATOM 0 H TRP A 39 6.767 5.562 4.910 1.00 0.00 H new ATOM 0 HA TRP A 39 8.302 7.315 3.187 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.394 7.976 5.133 1.00 0.00 H new ATOM 0 HB3 TRP A 39 7.697 7.806 5.535 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.057 5.610 7.112 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.424 4.261 8.853 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.648 7.156 5.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.178 3.936 9.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.622 6.283 6.854 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.440 4.715 8.708 1.00 0.00 H new ATOM 509 N VAL A 40 10.036 5.785 2.382 1.00 0.00 N ATOM 510 CA VAL A 40 11.121 4.949 1.897 1.00 0.00 C ATOM 511 C VAL A 40 12.446 5.694 2.061 1.00 0.00 C ATOM 512 O VAL A 40 13.401 5.153 2.620 1.00 0.00 O ATOM 513 CB VAL A 40 10.849 4.523 0.453 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.487 5.503 -0.536 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.335 3.095 0.199 1.00 0.00 C ATOM 0 H VAL A 40 9.753 6.530 1.745 1.00 0.00 H new ATOM 0 HA VAL A 40 11.189 4.033 2.484 1.00 0.00 H new ATOM 0 HB VAL A 40 9.770 4.541 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.279 5.178 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.072 6.499 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.565 5.531 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.129 2.819 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.408 3.038 0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.815 2.409 0.868 1.00 0.00 H new ATOM 525 N ASP A 41 12.463 6.922 1.566 1.00 0.00 N ATOM 526 CA ASP A 41 13.657 7.747 1.652 1.00 0.00 C ATOM 527 C ASP A 41 13.607 8.577 2.935 1.00 0.00 C ATOM 528 O ASP A 41 12.582 8.617 3.614 1.00 0.00 O ATOM 529 CB ASP A 41 13.745 8.713 0.467 1.00 0.00 C ATOM 530 CG ASP A 41 14.694 9.895 0.667 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.809 9.830 0.103 1.00 0.00 O ATOM 532 OD2 ASP A 41 14.288 10.837 1.378 1.00 0.00 O ATOM 0 H ASP A 41 11.670 7.366 1.104 1.00 0.00 H new ATOM 0 HA ASP A 41 14.524 7.087 1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.063 8.156 -0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.747 9.099 0.257 1.00 0.00 H new ATOM 538 N THR A 42 14.727 9.218 3.233 1.00 0.00 N ATOM 539 CA THR A 42 14.826 10.044 4.424 1.00 0.00 C ATOM 540 C THR A 42 13.469 10.676 4.745 1.00 0.00 C ATOM 541 O THR A 42 13.111 11.708 4.179 1.00 0.00 O ATOM 542 CB THR A 42 15.937 11.072 4.197 1.00 0.00 C ATOM 543 OG1 THR A 42 17.104 10.280 3.996 1.00 0.00 O ATOM 544 CG2 THR A 42 16.247 11.884 5.457 1.00 0.00 C ATOM 0 H THR A 42 15.576 9.182 2.669 1.00 0.00 H new ATOM 0 HA THR A 42 15.090 9.449 5.299 1.00 0.00 H new ATOM 0 HB THR A 42 15.650 11.748 3.392 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.874 10.866 3.839 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.042 12.599 5.243 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.352 12.420 5.774 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.568 11.212 6.253 1.00 0.00 H new ATOM 552 N GLY A 43 12.753 10.031 5.655 1.00 0.00 N ATOM 553 CA GLY A 43 11.445 10.518 6.060 1.00 0.00 C ATOM 554 C GLY A 43 10.657 11.037 4.855 1.00 0.00 C ATOM 555 O GLY A 43 9.798 11.905 4.999 1.00 0.00 O ATOM 0 H GLY A 43 13.054 9.176 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.888 9.716 6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.561 11.315 6.794 1.00 0.00 H new ATOM 559 N VAL A 44 10.976 10.483 3.695 1.00 0.00 N ATOM 560 CA VAL A 44 10.309 10.880 2.467 1.00 0.00 C ATOM 561 C VAL A 44 9.239 9.843 2.117 1.00 0.00 C ATOM 562 O VAL A 44 9.551 8.677 1.886 1.00 0.00 O ATOM 563 CB VAL A 44 11.338 11.076 1.352 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.735 10.746 -0.015 1.00 0.00 C ATOM 565 CG2 VAL A 44 11.904 12.497 1.372 1.00 0.00 C ATOM 0 H VAL A 44 11.688 9.762 3.579 1.00 0.00 H new ATOM 0 HA VAL A 44 9.805 11.838 2.598 1.00 0.00 H new ATOM 0 HB VAL A 44 12.161 10.384 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.487 10.894 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.403 9.708 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.885 11.401 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.633 12.610 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.095 13.213 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.388 12.682 2.331 1.00 0.00 H new ATOM 575 N LEU A 45 8.000 10.308 2.088 1.00 0.00 N ATOM 576 CA LEU A 45 6.879 9.437 1.770 1.00 0.00 C ATOM 577 C LEU A 45 6.966 9.020 0.302 1.00 0.00 C ATOM 578 O LEU A 45 6.721 9.830 -0.592 1.00 0.00 O ATOM 579 CB LEU A 45 5.557 10.107 2.145 1.00 0.00 C ATOM 580 CG LEU A 45 4.540 9.225 2.875 1.00 0.00 C ATOM 581 CD1 LEU A 45 3.657 10.059 3.805 1.00 0.00 C ATOM 582 CD2 LEU A 45 3.714 8.404 1.883 1.00 0.00 C ATOM 0 H LEU A 45 7.746 11.277 2.279 1.00 0.00 H new ATOM 0 HA LEU A 45 6.924 8.524 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.776 10.971 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.093 10.485 1.234 1.00 0.00 H new ATOM 0 HG LEU A 45 5.087 8.519 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.944 9.408 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.280 10.560 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.117 10.805 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.000 7.787 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.177 9.076 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.376 7.764 1.300 1.00 0.00 H new ATOM 594 N ALA A 46 7.311 7.758 0.097 1.00 0.00 N ATOM 595 CA ALA A 46 7.433 7.225 -1.251 1.00 0.00 C ATOM 596 C ALA A 46 6.477 6.042 -1.413 1.00 0.00 C ATOM 597 O ALA A 46 6.358 5.207 -0.516 1.00 0.00 O ATOM 598 CB ALA A 46 8.889 6.839 -1.518 1.00 0.00 C ATOM 0 H ALA A 46 7.510 7.088 0.840 1.00 0.00 H new ATOM 0 HA ALA A 46 7.156 7.978 -1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.980 6.440 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.523 7.720 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.202 6.082 -0.799 1.00 0.00 H new ATOM 604 N CYS A 47 5.820 6.006 -2.563 1.00 0.00 N ATOM 605 CA CYS A 47 4.877 4.938 -2.853 1.00 0.00 C ATOM 606 C CYS A 47 5.564 3.932 -3.779 1.00 0.00 C ATOM 607 O CYS A 47 6.489 4.284 -4.508 1.00 0.00 O ATOM 608 CB CYS A 47 3.579 5.478 -3.458 1.00 0.00 C ATOM 609 SG CYS A 47 2.804 6.843 -2.517 1.00 0.00 S ATOM 0 H CYS A 47 5.922 6.699 -3.305 1.00 0.00 H new ATOM 0 HA CYS A 47 4.589 4.441 -1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.783 5.824 -4.471 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.864 4.659 -3.539 1.00 0.00 H new ATOM 614 N ASN A 48 5.082 2.698 -3.720 1.00 0.00 N ATOM 615 CA ASN A 48 5.638 1.640 -4.546 1.00 0.00 C ATOM 616 C ASN A 48 5.157 1.816 -5.987 1.00 0.00 C ATOM 617 O ASN A 48 4.175 2.513 -6.238 1.00 0.00 O ATOM 618 CB ASN A 48 5.178 0.264 -4.059 1.00 0.00 C ATOM 619 CG ASN A 48 5.549 0.050 -2.590 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.206 1.068 -2.044 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 5.260 -0.974 -1.993 1.00 0.00 N flip ATOM 0 H ASN A 48 4.314 2.408 -3.114 1.00 0.00 H new ATOM 0 HA ASN A 48 6.725 1.701 -4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.099 0.173 -4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.636 -0.514 -4.670 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.754 -1.718 -2.473 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.525 -1.086 -1.014 1.00 0.00 H new ATOM 628 N PRO A 49 5.889 1.155 -6.923 1.00 0.00 N ATOM 629 CA PRO A 49 5.546 1.231 -8.334 1.00 0.00 C ATOM 630 C PRO A 49 4.315 0.381 -8.645 1.00 0.00 C ATOM 631 O PRO A 49 3.704 0.532 -9.702 1.00 0.00 O ATOM 632 CB PRO A 49 6.794 0.764 -9.067 1.00 0.00 C ATOM 633 CG PRO A 49 7.620 0.005 -8.041 1.00 0.00 C ATOM 634 CD PRO A 49 7.058 0.319 -6.665 1.00 0.00 C ATOM 0 HA PRO A 49 5.270 2.238 -8.647 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.535 0.124 -9.911 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.351 1.611 -9.468 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.578 -1.067 -8.235 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.668 0.299 -8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.784 -0.592 -6.132 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.790 0.841 -6.048 1.00 0.00 H new ATOM 642 N ALA A 50 3.988 -0.496 -7.707 1.00 0.00 N ATOM 643 CA ALA A 50 2.840 -1.372 -7.871 1.00 0.00 C ATOM 644 C ALA A 50 1.718 -0.914 -6.936 1.00 0.00 C ATOM 645 O ALA A 50 0.791 -1.671 -6.654 1.00 0.00 O ATOM 646 CB ALA A 50 3.261 -2.819 -7.609 1.00 0.00 C ATOM 0 H ALA A 50 4.497 -0.619 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 50 2.461 -1.322 -8.892 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.400 -3.476 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.040 -3.105 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.643 -2.908 -6.592 1.00 0.00 H new ATOM 652 N ASP A 51 1.837 0.325 -6.484 1.00 0.00 N ATOM 653 CA ASP A 51 0.846 0.894 -5.589 1.00 0.00 C ATOM 654 C ASP A 51 -0.274 1.531 -6.413 1.00 0.00 C ATOM 655 O ASP A 51 -1.178 2.159 -5.862 1.00 0.00 O ATOM 656 CB ASP A 51 1.458 1.983 -4.706 1.00 0.00 C ATOM 657 CG ASP A 51 0.598 3.234 -4.529 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.464 3.978 -5.524 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.090 3.420 -3.401 1.00 0.00 O ATOM 0 H ASP A 51 2.606 0.951 -6.722 1.00 0.00 H new ATOM 0 HA ASP A 51 0.464 0.091 -4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.662 1.559 -3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.417 2.278 -5.132 1.00 0.00 H new ATOM 665 N PHE A 52 -0.180 1.346 -7.723 1.00 0.00 N ATOM 666 CA PHE A 52 -1.174 1.896 -8.628 1.00 0.00 C ATOM 667 C PHE A 52 -2.229 0.847 -8.986 1.00 0.00 C ATOM 668 O PHE A 52 -2.104 0.153 -9.995 1.00 0.00 O ATOM 669 CB PHE A 52 -0.437 2.313 -9.902 1.00 0.00 C ATOM 670 CG PHE A 52 0.933 2.947 -9.648 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.071 3.909 -8.697 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.012 2.548 -10.374 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.342 4.497 -8.460 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.284 3.135 -10.138 1.00 0.00 C ATOM 675 CZ PHE A 52 3.421 4.099 -9.187 1.00 0.00 C ATOM 0 H PHE A 52 0.569 0.823 -8.178 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.681 2.738 -8.156 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.309 1.438 -10.539 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.057 3.020 -10.453 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.214 4.226 -8.122 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.902 1.785 -11.130 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.452 5.260 -7.703 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.141 2.817 -10.713 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.387 4.548 -9.009 1.00 0.00 H new ATOM 685 N SER A 53 -3.246 0.763 -8.139 1.00 0.00 N ATOM 686 CA SER A 53 -4.320 -0.191 -8.354 1.00 0.00 C ATOM 687 C SER A 53 -5.670 0.471 -8.068 1.00 0.00 C ATOM 688 O SER A 53 -6.289 0.208 -7.038 1.00 0.00 O ATOM 689 CB SER A 53 -4.141 -1.430 -7.475 1.00 0.00 C ATOM 690 OG SER A 53 -5.156 -2.404 -7.711 1.00 0.00 O ATOM 0 H SER A 53 -3.348 1.340 -7.304 1.00 0.00 H new ATOM 0 HA SER A 53 -4.291 -0.511 -9.396 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.163 -1.872 -7.666 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.158 -1.136 -6.426 1.00 0.00 H new ATOM 0 HG SER A 53 -5.006 -3.180 -7.132 1.00 0.00 H new ATOM 696 N SER A 54 -6.086 1.317 -8.998 1.00 0.00 N ATOM 697 CA SER A 54 -7.352 2.017 -8.859 1.00 0.00 C ATOM 698 C SER A 54 -8.431 1.056 -8.358 1.00 0.00 C ATOM 699 O SER A 54 -8.655 0.003 -8.952 1.00 0.00 O ATOM 700 CB SER A 54 -7.781 2.650 -10.186 1.00 0.00 C ATOM 701 OG SER A 54 -8.286 1.680 -11.101 1.00 0.00 O ATOM 0 H SER A 54 -5.570 1.534 -9.850 1.00 0.00 H new ATOM 0 HA SER A 54 -7.220 2.817 -8.130 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.546 3.404 -9.998 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.931 3.164 -10.635 1.00 0.00 H new ATOM 0 HG SER A 54 -8.402 0.824 -10.639 1.00 0.00 H new ATOM 707 N VAL A 55 -9.070 1.453 -7.266 1.00 0.00 N ATOM 708 CA VAL A 55 -10.120 0.639 -6.676 1.00 0.00 C ATOM 709 C VAL A 55 -11.167 1.552 -6.034 1.00 0.00 C ATOM 710 O VAL A 55 -10.913 2.737 -5.819 1.00 0.00 O ATOM 711 CB VAL A 55 -9.515 -0.363 -5.694 1.00 0.00 C ATOM 712 CG1 VAL A 55 -10.484 -0.658 -4.545 1.00 0.00 C ATOM 713 CG2 VAL A 55 -9.104 -1.653 -6.408 1.00 0.00 C ATOM 0 H VAL A 55 -8.881 2.327 -6.775 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.627 0.054 -7.443 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.617 0.086 -5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.029 -1.374 -3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.706 0.265 -4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.407 -1.076 -4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.677 -2.348 -5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.979 -2.106 -6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.363 -1.425 -7.174 1.00 0.00 H new ATOM 723 N THR A 56 -12.318 0.967 -5.743 1.00 0.00 N ATOM 724 CA THR A 56 -13.404 1.712 -5.128 1.00 0.00 C ATOM 725 C THR A 56 -13.994 0.926 -3.957 1.00 0.00 C ATOM 726 O THR A 56 -13.812 -0.287 -3.864 1.00 0.00 O ATOM 727 CB THR A 56 -14.428 2.042 -6.217 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.935 3.319 -5.841 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.651 1.124 -6.166 1.00 0.00 C ATOM 0 H THR A 56 -12.523 -0.016 -5.922 1.00 0.00 H new ATOM 0 HA THR A 56 -13.048 2.650 -4.702 1.00 0.00 H new ATOM 0 HB THR A 56 -13.956 1.963 -7.196 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.791 3.458 -4.882 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.346 1.400 -6.959 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.336 0.090 -6.304 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.144 1.227 -5.199 1.00 0.00 H new ATOM 737 N ALA A 57 -14.689 1.648 -3.091 1.00 0.00 N ATOM 738 CA ALA A 57 -15.308 1.033 -1.928 1.00 0.00 C ATOM 739 C ALA A 57 -16.818 0.943 -2.148 1.00 0.00 C ATOM 740 O ALA A 57 -17.433 1.881 -2.653 1.00 0.00 O ATOM 741 CB ALA A 57 -14.948 1.833 -0.676 1.00 0.00 C ATOM 0 H ALA A 57 -14.838 2.654 -3.171 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.935 0.019 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.412 1.372 0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.865 1.842 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.310 2.856 -0.781 1.00 0.00 H new ATOM 747 N ASP A 58 -17.374 -0.195 -1.758 1.00 0.00 N ATOM 748 CA ASP A 58 -18.801 -0.419 -1.907 1.00 0.00 C ATOM 749 C ASP A 58 -19.562 0.516 -0.963 1.00 0.00 C ATOM 750 O ASP A 58 -19.019 0.959 0.048 1.00 0.00 O ATOM 751 CB ASP A 58 -19.173 -1.860 -1.544 1.00 0.00 C ATOM 752 CG ASP A 58 -18.079 -2.895 -1.808 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.216 -2.604 -2.666 1.00 0.00 O ATOM 754 OD2 ASP A 58 -18.129 -3.956 -1.149 1.00 0.00 O ATOM 0 H ASP A 58 -16.862 -0.971 -1.339 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.065 -0.228 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.439 -1.896 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.063 -2.142 -2.106 1.00 0.00 H new ATOM 760 N ALA A 59 -20.805 0.789 -1.328 1.00 0.00 N ATOM 761 CA ALA A 59 -21.646 1.662 -0.527 1.00 0.00 C ATOM 762 C ALA A 59 -21.388 1.392 0.956 1.00 0.00 C ATOM 763 O ALA A 59 -21.485 2.298 1.784 1.00 0.00 O ATOM 764 CB ALA A 59 -23.112 1.456 -0.913 1.00 0.00 C ATOM 0 H ALA A 59 -21.251 0.421 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.404 2.708 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.742 2.111 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.247 1.692 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.393 0.418 -0.734 1.00 0.00 H new ATOM 770 N ASN A 60 -21.065 0.142 1.250 1.00 0.00 N ATOM 771 CA ASN A 60 -20.792 -0.261 2.619 1.00 0.00 C ATOM 772 C ASN A 60 -19.308 -0.047 2.924 1.00 0.00 C ATOM 773 O ASN A 60 -18.703 -0.827 3.656 1.00 0.00 O ATOM 774 CB ASN A 60 -21.111 -1.741 2.833 1.00 0.00 C ATOM 775 CG ASN A 60 -21.758 -1.973 4.200 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.693 -1.297 4.595 1.00 0.00 O ATOM 777 ND2 ASN A 60 -21.207 -2.962 4.897 1.00 0.00 N ATOM 0 H ASN A 60 -20.986 -0.607 0.562 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.418 0.341 3.278 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.781 -2.089 2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.196 -2.328 2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.566 -3.195 5.823 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.426 -3.488 4.506 1.00 0.00 H new ATOM 784 N GLY A 61 -18.764 1.013 2.343 1.00 0.00 N ATOM 785 CA GLY A 61 -17.362 1.339 2.544 1.00 0.00 C ATOM 786 C GLY A 61 -16.507 0.071 2.591 1.00 0.00 C ATOM 787 O GLY A 61 -15.614 -0.048 3.430 1.00 0.00 O ATOM 0 H GLY A 61 -19.269 1.657 1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.016 1.986 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.244 1.897 3.473 1.00 0.00 H new ATOM 791 N SER A 62 -16.808 -0.844 1.682 1.00 0.00 N ATOM 792 CA SER A 62 -16.079 -2.098 1.609 1.00 0.00 C ATOM 793 C SER A 62 -15.279 -2.164 0.307 1.00 0.00 C ATOM 794 O SER A 62 -15.851 -2.348 -0.767 1.00 0.00 O ATOM 795 CB SER A 62 -17.027 -3.294 1.712 1.00 0.00 C ATOM 796 OG SER A 62 -17.672 -3.356 2.983 1.00 0.00 O ATOM 0 H SER A 62 -17.549 -0.741 0.988 1.00 0.00 H new ATOM 0 HA SER A 62 -15.390 -2.142 2.453 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.780 -3.229 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.469 -4.215 1.543 1.00 0.00 H new ATOM 0 HG SER A 62 -18.014 -2.469 3.220 1.00 0.00 H new ATOM 802 N ALA A 63 -13.970 -2.011 0.442 1.00 0.00 N ATOM 803 CA ALA A 63 -13.087 -2.053 -0.710 1.00 0.00 C ATOM 804 C ALA A 63 -12.296 -3.361 -0.695 1.00 0.00 C ATOM 805 O ALA A 63 -11.200 -3.420 -0.139 1.00 0.00 O ATOM 806 CB ALA A 63 -12.179 -0.820 -0.701 1.00 0.00 C ATOM 0 H ALA A 63 -13.499 -1.857 1.334 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.662 -2.028 -1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.516 -0.850 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.790 0.082 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.584 -0.813 0.213 1.00 0.00 H new ATOM 812 N SER A 64 -12.881 -4.376 -1.313 1.00 0.00 N ATOM 813 CA SER A 64 -12.244 -5.681 -1.378 1.00 0.00 C ATOM 814 C SER A 64 -11.449 -5.809 -2.679 1.00 0.00 C ATOM 815 O SER A 64 -11.910 -6.431 -3.635 1.00 0.00 O ATOM 816 CB SER A 64 -13.278 -6.803 -1.275 1.00 0.00 C ATOM 817 OG SER A 64 -14.388 -6.591 -2.144 1.00 0.00 O ATOM 0 H SER A 64 -13.790 -4.322 -1.773 1.00 0.00 H new ATOM 0 HA SER A 64 -11.563 -5.773 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.805 -7.755 -1.517 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.632 -6.876 -0.247 1.00 0.00 H new ATOM 0 HG SER A 64 -14.065 -6.436 -3.056 1.00 0.00 H new ATOM 823 N THR A 65 -10.266 -5.214 -2.672 1.00 0.00 N ATOM 824 CA THR A 65 -9.401 -5.255 -3.838 1.00 0.00 C ATOM 825 C THR A 65 -8.192 -6.155 -3.576 1.00 0.00 C ATOM 826 O THR A 65 -7.594 -6.100 -2.503 1.00 0.00 O ATOM 827 CB THR A 65 -9.020 -3.816 -4.197 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.228 -3.947 -5.374 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.067 -3.191 -3.176 1.00 0.00 C ATOM 0 H THR A 65 -9.886 -4.701 -1.877 1.00 0.00 H new ATOM 0 HA THR A 65 -9.914 -5.694 -4.694 1.00 0.00 H new ATOM 0 HB THR A 65 -9.923 -3.211 -4.270 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.389 -3.454 -5.260 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.829 -2.171 -3.478 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.542 -3.178 -2.195 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.150 -3.779 -3.127 1.00 0.00 H new ATOM 837 N SER A 66 -7.869 -6.964 -4.575 1.00 0.00 N ATOM 838 CA SER A 66 -6.742 -7.875 -4.466 1.00 0.00 C ATOM 839 C SER A 66 -5.464 -7.187 -4.948 1.00 0.00 C ATOM 840 O SER A 66 -5.480 -6.467 -5.947 1.00 0.00 O ATOM 841 CB SER A 66 -6.990 -9.155 -5.264 1.00 0.00 C ATOM 842 OG SER A 66 -6.974 -8.920 -6.668 1.00 0.00 O ATOM 0 H SER A 66 -8.368 -7.007 -5.463 1.00 0.00 H new ATOM 0 HA SER A 66 -6.625 -8.150 -3.418 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.229 -9.893 -5.011 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.952 -9.579 -4.978 1.00 0.00 H new ATOM 0 HG SER A 66 -7.134 -9.762 -7.143 1.00 0.00 H new ATOM 848 N LEU A 67 -4.386 -7.433 -4.219 1.00 0.00 N ATOM 849 CA LEU A 67 -3.101 -6.846 -4.560 1.00 0.00 C ATOM 850 C LEU A 67 -1.991 -7.858 -4.270 1.00 0.00 C ATOM 851 O LEU A 67 -2.216 -8.853 -3.583 1.00 0.00 O ATOM 852 CB LEU A 67 -2.915 -5.507 -3.842 1.00 0.00 C ATOM 853 CG LEU A 67 -2.964 -4.260 -4.729 1.00 0.00 C ATOM 854 CD1 LEU A 67 -2.451 -3.033 -3.973 1.00 0.00 C ATOM 855 CD2 LEU A 67 -2.202 -4.488 -6.036 1.00 0.00 C ATOM 0 H LEU A 67 -4.376 -8.031 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.057 -6.619 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.687 -5.416 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.955 -5.524 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.004 -4.066 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.496 -2.160 -4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.071 -2.862 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.420 -3.202 -3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.252 -3.588 -6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.160 -4.719 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.650 -5.321 -6.578 1.00 0.00 H new ATOM 867 N THR A 68 -0.816 -7.569 -4.809 1.00 0.00 N ATOM 868 CA THR A 68 0.331 -8.441 -4.617 1.00 0.00 C ATOM 869 C THR A 68 1.316 -7.817 -3.626 1.00 0.00 C ATOM 870 O THR A 68 1.627 -6.630 -3.718 1.00 0.00 O ATOM 871 CB THR A 68 0.947 -8.722 -5.990 1.00 0.00 C ATOM 872 OG1 THR A 68 1.787 -9.852 -5.769 1.00 0.00 O ATOM 873 CG2 THR A 68 1.912 -7.622 -6.434 1.00 0.00 C ATOM 0 H THR A 68 -0.633 -6.743 -5.379 1.00 0.00 H new ATOM 0 HA THR A 68 0.034 -9.393 -4.177 1.00 0.00 H new ATOM 0 HB THR A 68 0.153 -8.829 -6.729 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.225 -10.103 -6.609 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.321 -7.870 -7.413 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.379 -6.673 -6.493 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.725 -7.538 -5.712 1.00 0.00 H new ATOM 881 N VAL A 69 1.778 -8.644 -2.701 1.00 0.00 N ATOM 882 CA VAL A 69 2.722 -8.188 -1.693 1.00 0.00 C ATOM 883 C VAL A 69 4.149 -8.377 -2.214 1.00 0.00 C ATOM 884 O VAL A 69 4.799 -9.375 -1.905 1.00 0.00 O ATOM 885 CB VAL A 69 2.467 -8.914 -0.372 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.631 -8.711 0.600 1.00 0.00 C ATOM 887 CG2 VAL A 69 1.144 -8.466 0.254 1.00 0.00 C ATOM 0 H VAL A 69 1.517 -9.627 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 69 2.586 -7.125 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 69 2.392 -9.980 -0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.423 -9.238 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.547 -9.103 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.753 -7.647 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.987 -8.998 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.177 -7.393 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.325 -8.687 -0.430 1.00 0.00 H new ATOM 897 N ARG A 70 4.594 -7.404 -2.994 1.00 0.00 N ATOM 898 CA ARG A 70 5.930 -7.451 -3.561 1.00 0.00 C ATOM 899 C ARG A 70 6.860 -6.496 -2.807 1.00 0.00 C ATOM 900 O ARG A 70 7.307 -5.493 -3.361 1.00 0.00 O ATOM 901 CB ARG A 70 5.915 -7.070 -5.043 1.00 0.00 C ATOM 902 CG ARG A 70 5.739 -8.309 -5.923 1.00 0.00 C ATOM 903 CD ARG A 70 5.877 -7.951 -7.406 1.00 0.00 C ATOM 904 NE ARG A 70 5.036 -8.853 -8.223 1.00 0.00 N ATOM 905 CZ ARG A 70 5.432 -10.051 -8.672 1.00 0.00 C ATOM 906 NH1 ARG A 70 6.663 -10.499 -8.383 1.00 0.00 N ATOM 907 NH2 ARG A 70 4.601 -10.803 -9.408 1.00 0.00 N ATOM 0 H ARG A 70 4.052 -6.578 -3.247 1.00 0.00 H new ATOM 0 HA ARG A 70 6.295 -8.474 -3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.105 -6.366 -5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.845 -6.564 -5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.483 -9.059 -5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.760 -8.753 -5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.578 -6.915 -7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.919 -8.034 -7.713 1.00 0.00 H new ATOM 0 HE ARG A 70 4.094 -8.542 -8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.295 -9.928 -7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.967 -11.411 -8.724 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.665 -10.463 -9.627 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.905 -11.715 -9.749 1.00 0.00 H new ATOM 921 N ARG A 71 7.120 -6.842 -1.555 1.00 0.00 N ATOM 922 CA ARG A 71 7.987 -6.029 -0.719 1.00 0.00 C ATOM 923 C ARG A 71 9.140 -5.457 -1.548 1.00 0.00 C ATOM 924 O ARG A 71 9.642 -4.373 -1.256 1.00 0.00 O ATOM 925 CB ARG A 71 8.558 -6.847 0.441 1.00 0.00 C ATOM 926 CG ARG A 71 8.413 -6.094 1.766 1.00 0.00 C ATOM 927 CD ARG A 71 7.242 -6.640 2.583 1.00 0.00 C ATOM 928 NE ARG A 71 5.996 -6.583 1.784 1.00 0.00 N ATOM 929 CZ ARG A 71 5.114 -5.577 1.841 1.00 0.00 C ATOM 930 NH1 ARG A 71 5.332 -4.538 2.660 1.00 0.00 N ATOM 931 NH2 ARG A 71 4.013 -5.610 1.079 1.00 0.00 N ATOM 0 H ARG A 71 6.746 -7.674 -1.099 1.00 0.00 H new ATOM 0 HA ARG A 71 7.388 -5.214 -0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.041 -7.805 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.610 -7.064 0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.335 -6.183 2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.260 -5.033 1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.445 -7.668 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.124 -6.059 3.498 1.00 0.00 H new ATOM 0 HE ARG A 71 5.798 -7.358 1.151 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.170 -4.513 3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.659 -3.772 2.703 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.847 -6.401 0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.340 -4.844 1.121 1.00 0.00 H new ATOM 945 N SER A 72 9.527 -6.215 -2.566 1.00 0.00 N ATOM 946 CA SER A 72 10.611 -5.799 -3.437 1.00 0.00 C ATOM 947 C SER A 72 10.057 -4.990 -4.612 1.00 0.00 C ATOM 948 O SER A 72 9.242 -5.492 -5.385 1.00 0.00 O ATOM 949 CB SER A 72 11.401 -7.004 -3.948 1.00 0.00 C ATOM 950 OG SER A 72 10.546 -8.029 -4.452 1.00 0.00 O ATOM 0 H SER A 72 9.108 -7.114 -2.805 1.00 0.00 H new ATOM 0 HA SER A 72 11.291 -5.172 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.084 -6.683 -4.734 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.012 -7.406 -3.140 1.00 0.00 H new ATOM 0 HG SER A 72 9.827 -7.625 -4.982 1.00 0.00 H new ATOM 956 N PHE A 73 10.521 -3.754 -4.709 1.00 0.00 N ATOM 957 CA PHE A 73 10.081 -2.872 -5.777 1.00 0.00 C ATOM 958 C PHE A 73 10.813 -1.529 -5.716 1.00 0.00 C ATOM 959 O PHE A 73 11.515 -1.245 -4.747 1.00 0.00 O ATOM 960 CB PHE A 73 8.584 -2.632 -5.572 1.00 0.00 C ATOM 961 CG PHE A 73 8.167 -2.525 -4.103 1.00 0.00 C ATOM 962 CD1 PHE A 73 8.926 -1.810 -3.231 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.036 -3.146 -3.670 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.539 -1.712 -1.868 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.650 -3.047 -2.308 1.00 0.00 C ATOM 966 CZ PHE A 73 7.409 -2.333 -1.436 1.00 0.00 C ATOM 0 H PHE A 73 11.197 -3.342 -4.066 1.00 0.00 H new ATOM 0 HA PHE A 73 10.291 -3.327 -6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.299 -1.715 -6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.029 -3.446 -6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.823 -1.317 -3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.433 -3.714 -4.363 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.142 -1.144 -1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.752 -3.539 -1.964 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.115 -2.259 -0.400 1.00 0.00 H new ATOM 976 N GLU A 74 10.623 -0.740 -6.762 1.00 0.00 N ATOM 977 CA GLU A 74 11.257 0.565 -6.840 1.00 0.00 C ATOM 978 C GLU A 74 10.312 1.646 -6.314 1.00 0.00 C ATOM 979 O GLU A 74 9.357 2.027 -6.993 1.00 0.00 O ATOM 980 CB GLU A 74 11.701 0.875 -8.271 1.00 0.00 C ATOM 981 CG GLU A 74 12.701 2.033 -8.296 1.00 0.00 C ATOM 982 CD GLU A 74 12.882 2.570 -9.717 1.00 0.00 C ATOM 983 OE1 GLU A 74 12.457 3.726 -9.944 1.00 0.00 O ATOM 984 OE2 GLU A 74 13.438 1.817 -10.544 1.00 0.00 O ATOM 0 H GLU A 74 10.039 -0.979 -7.563 1.00 0.00 H new ATOM 0 HA GLU A 74 12.148 0.552 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.154 -0.011 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.832 1.127 -8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.353 2.833 -7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.662 1.697 -7.905 1.00 0.00 H new ATOM 992 N GLY A 75 10.607 2.112 -5.109 1.00 0.00 N ATOM 993 CA GLY A 75 9.795 3.142 -4.483 1.00 0.00 C ATOM 994 C GLY A 75 9.890 4.461 -5.257 1.00 0.00 C ATOM 995 O GLY A 75 10.816 4.657 -6.042 1.00 0.00 O ATOM 0 H GLY A 75 11.398 1.795 -4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.756 2.815 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.124 3.295 -3.455 1.00 0.00 H new ATOM 999 N PHE A 76 8.919 5.325 -5.007 1.00 0.00 N ATOM 1000 CA PHE A 76 8.881 6.618 -5.670 1.00 0.00 C ATOM 1001 C PHE A 76 8.572 7.737 -4.672 1.00 0.00 C ATOM 1002 O PHE A 76 7.513 7.741 -4.049 1.00 0.00 O ATOM 1003 CB PHE A 76 7.761 6.554 -6.710 1.00 0.00 C ATOM 1004 CG PHE A 76 7.896 7.584 -7.833 1.00 0.00 C ATOM 1005 CD1 PHE A 76 7.413 8.843 -7.665 1.00 0.00 C ATOM 1006 CD2 PHE A 76 8.501 7.239 -9.002 1.00 0.00 C ATOM 1007 CE1 PHE A 76 7.539 9.798 -8.709 1.00 0.00 C ATOM 1008 CE2 PHE A 76 8.628 8.192 -10.046 1.00 0.00 C ATOM 1009 CZ PHE A 76 8.143 9.453 -9.876 1.00 0.00 C ATOM 0 H PHE A 76 8.153 5.156 -4.355 1.00 0.00 H new ATOM 0 HA PHE A 76 9.848 6.831 -6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.741 5.556 -7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.804 6.701 -6.209 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.933 9.118 -6.737 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.885 6.238 -9.136 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.155 10.798 -8.575 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.108 7.918 -10.974 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.239 10.179 -10.669 1.00 0.00 H new ATOM 1019 N LEU A 77 9.518 8.656 -4.552 1.00 0.00 N ATOM 1020 CA LEU A 77 9.360 9.778 -3.641 1.00 0.00 C ATOM 1021 C LEU A 77 8.066 10.522 -3.973 1.00 0.00 C ATOM 1022 O LEU A 77 7.759 10.748 -5.142 1.00 0.00 O ATOM 1023 CB LEU A 77 10.606 10.668 -3.667 1.00 0.00 C ATOM 1024 CG LEU A 77 11.948 9.951 -3.511 1.00 0.00 C ATOM 1025 CD1 LEU A 77 12.702 9.903 -4.839 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.783 10.587 -2.399 1.00 0.00 C ATOM 0 H LEU A 77 10.397 8.647 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 77 9.269 9.425 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.617 11.216 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.517 11.407 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 77 11.752 8.920 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.652 9.388 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.105 9.368 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.888 10.918 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.732 10.058 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.972 11.633 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.241 10.523 -1.455 1.00 0.00 H new ATOM 1038 N PHE A 78 7.341 10.880 -2.923 1.00 0.00 N ATOM 1039 CA PHE A 78 6.085 11.592 -3.089 1.00 0.00 C ATOM 1040 C PHE A 78 6.305 12.933 -3.793 1.00 0.00 C ATOM 1041 O PHE A 78 5.398 13.457 -4.436 1.00 0.00 O ATOM 1042 CB PHE A 78 5.530 11.851 -1.687 1.00 0.00 C ATOM 1043 CG PHE A 78 4.610 13.070 -1.598 1.00 0.00 C ATOM 1044 CD1 PHE A 78 3.464 13.114 -2.329 1.00 0.00 C ATOM 1045 CD2 PHE A 78 4.939 14.111 -0.786 1.00 0.00 C ATOM 1046 CE1 PHE A 78 2.612 14.245 -2.246 1.00 0.00 C ATOM 1047 CE2 PHE A 78 4.084 15.244 -0.702 1.00 0.00 C ATOM 1048 CZ PHE A 78 2.939 15.288 -1.434 1.00 0.00 C ATOM 0 H PHE A 78 7.599 10.690 -1.955 1.00 0.00 H new ATOM 0 HA PHE A 78 5.399 11.001 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.981 10.969 -1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.363 11.986 -0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.203 12.287 -2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.849 14.077 -0.206 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.703 14.279 -2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.344 16.070 -0.057 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.290 16.149 -1.371 1.00 0.00 H new ATOM 1058 N ASP A 79 7.515 13.451 -3.645 1.00 0.00 N ATOM 1059 CA ASP A 79 7.867 14.721 -4.258 1.00 0.00 C ATOM 1060 C ASP A 79 7.609 14.644 -5.764 1.00 0.00 C ATOM 1061 O ASP A 79 6.953 15.517 -6.331 1.00 0.00 O ATOM 1062 CB ASP A 79 9.347 15.044 -4.047 1.00 0.00 C ATOM 1063 CG ASP A 79 9.666 16.529 -3.862 1.00 0.00 C ATOM 1064 OD1 ASP A 79 10.711 16.812 -3.236 1.00 0.00 O ATOM 1065 OD2 ASP A 79 8.855 17.349 -4.346 1.00 0.00 O ATOM 0 H ASP A 79 8.265 13.014 -3.109 1.00 0.00 H new ATOM 0 HA ASP A 79 7.260 15.499 -3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.701 14.500 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.910 14.671 -4.902 1.00 0.00 H new ATOM 1071 N GLY A 80 8.139 13.591 -6.370 1.00 0.00 N ATOM 1072 CA GLY A 80 7.974 13.388 -7.798 1.00 0.00 C ATOM 1073 C GLY A 80 9.088 12.503 -8.359 1.00 0.00 C ATOM 1074 O GLY A 80 8.913 11.855 -9.389 1.00 0.00 O ATOM 0 H GLY A 80 8.683 12.870 -5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.006 12.927 -7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.978 14.351 -8.309 1.00 0.00 H new ATOM 1078 N THR A 81 10.211 12.504 -7.655 1.00 0.00 N ATOM 1079 CA THR A 81 11.354 11.708 -8.069 1.00 0.00 C ATOM 1080 C THR A 81 11.197 10.262 -7.595 1.00 0.00 C ATOM 1081 O THR A 81 10.407 9.982 -6.696 1.00 0.00 O ATOM 1082 CB THR A 81 12.619 12.387 -7.540 1.00 0.00 C ATOM 1083 OG1 THR A 81 12.652 13.638 -8.220 1.00 0.00 O ATOM 1084 CG2 THR A 81 13.897 11.681 -7.997 1.00 0.00 C ATOM 0 H THR A 81 10.353 13.043 -6.801 1.00 0.00 H new ATOM 0 HA THR A 81 11.426 11.654 -9.155 1.00 0.00 H new ATOM 0 HB THR A 81 12.588 12.413 -6.451 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.441 14.145 -7.935 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.765 12.203 -7.594 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.893 10.652 -7.637 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.945 11.684 -9.086 1.00 0.00 H new ATOM 1092 N ARG A 82 11.963 9.381 -8.223 1.00 0.00 N ATOM 1093 CA ARG A 82 11.919 7.971 -7.879 1.00 0.00 C ATOM 1094 C ARG A 82 13.100 7.607 -6.977 1.00 0.00 C ATOM 1095 O ARG A 82 14.205 8.114 -7.164 1.00 0.00 O ATOM 1096 CB ARG A 82 11.953 7.094 -9.132 1.00 0.00 C ATOM 1097 CG ARG A 82 13.326 7.156 -9.806 1.00 0.00 C ATOM 1098 CD ARG A 82 13.243 6.704 -11.265 1.00 0.00 C ATOM 1099 NE ARG A 82 14.572 6.803 -11.904 1.00 0.00 N ATOM 1100 CZ ARG A 82 14.789 6.649 -13.217 1.00 0.00 C ATOM 1101 NH1 ARG A 82 13.764 6.387 -14.038 1.00 0.00 N ATOM 1102 NH2 ARG A 82 16.031 6.757 -13.708 1.00 0.00 N ATOM 0 H ARG A 82 12.618 9.618 -8.968 1.00 0.00 H new ATOM 0 HA ARG A 82 10.984 7.790 -7.350 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.721 6.063 -8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.185 7.423 -9.832 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.712 8.174 -9.759 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.029 6.523 -9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.882 5.677 -11.316 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.525 7.321 -11.805 1.00 0.00 H new ATOM 0 HE ARG A 82 15.375 7.001 -11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.819 6.305 -13.664 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.929 6.270 -15.038 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.811 6.956 -13.082 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.196 6.640 -14.708 1.00 0.00 H new ATOM 1116 N TRP A 83 12.828 6.732 -6.020 1.00 0.00 N ATOM 1117 CA TRP A 83 13.855 6.296 -5.090 1.00 0.00 C ATOM 1118 C TRP A 83 14.263 4.872 -5.473 1.00 0.00 C ATOM 1119 O TRP A 83 15.192 4.680 -6.260 1.00 0.00 O ATOM 1120 CB TRP A 83 13.369 6.409 -3.643 1.00 0.00 C ATOM 1121 CG TRP A 83 14.415 6.006 -2.602 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.321 5.052 -1.666 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.723 6.589 -2.428 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.470 4.978 -0.905 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.350 5.943 -1.383 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.357 7.629 -3.132 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.642 6.262 -0.948 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.647 7.936 -2.685 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.292 7.293 -1.634 1.00 0.00 C ATOM 0 H TRP A 83 11.910 6.313 -5.869 1.00 0.00 H new ATOM 0 HA TRP A 83 14.732 6.940 -5.153 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.060 7.437 -3.454 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.486 5.783 -3.517 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.456 4.421 -1.525 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.642 4.334 -0.133 1.00 0.00 H new ATOM 0 HE3 TRP A 83 15.885 8.149 -3.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.111 5.740 -0.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.179 8.728 -3.192 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.291 7.589 -1.349 1.00 0.00 H new ATOM 1140 N GLY A 84 13.555 3.912 -4.899 1.00 0.00 N ATOM 1141 CA GLY A 84 13.835 2.511 -5.172 1.00 0.00 C ATOM 1142 C GLY A 84 13.694 1.668 -3.901 1.00 0.00 C ATOM 1143 O GLY A 84 12.584 1.297 -3.518 1.00 0.00 O ATOM 0 H GLY A 84 12.788 4.075 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.151 2.141 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.844 2.409 -5.571 1.00 0.00 H new ATOM 1147 N THR A 85 14.833 1.390 -3.285 1.00 0.00 N ATOM 1148 CA THR A 85 14.850 0.596 -2.067 1.00 0.00 C ATOM 1149 C THR A 85 14.806 -0.895 -2.401 1.00 0.00 C ATOM 1150 O THR A 85 15.624 -1.670 -1.908 1.00 0.00 O ATOM 1151 CB THR A 85 13.687 1.058 -1.186 1.00 0.00 C ATOM 1152 OG1 THR A 85 13.963 2.433 -0.940 1.00 0.00 O ATOM 1153 CG2 THR A 85 13.714 0.417 0.202 1.00 0.00 C ATOM 0 H THR A 85 15.750 1.700 -3.606 1.00 0.00 H new ATOM 0 HA THR A 85 15.776 0.743 -1.511 1.00 0.00 H new ATOM 0 HB THR A 85 12.743 0.820 -1.677 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.075 2.902 -1.793 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.868 0.779 0.786 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.650 -0.667 0.104 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.643 0.682 0.707 1.00 0.00 H new ATOM 1161 N VAL A 86 13.843 -1.253 -3.237 1.00 0.00 N ATOM 1162 CA VAL A 86 13.681 -2.638 -3.644 1.00 0.00 C ATOM 1163 C VAL A 86 13.107 -3.444 -2.477 1.00 0.00 C ATOM 1164 O VAL A 86 11.918 -3.348 -2.176 1.00 0.00 O ATOM 1165 CB VAL A 86 15.013 -3.192 -4.155 1.00 0.00 C ATOM 1166 CG1 VAL A 86 14.876 -4.663 -4.557 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.544 -2.354 -5.318 1.00 0.00 C ATOM 0 H VAL A 86 13.166 -0.607 -3.644 1.00 0.00 H new ATOM 0 HA VAL A 86 12.974 -2.713 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 86 15.736 -3.132 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.836 -5.033 -4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.562 -5.249 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.132 -4.756 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.491 -2.769 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.823 -2.368 -6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.697 -1.327 -4.986 1.00 0.00 H new ATOM 1177 N ASP A 87 13.978 -4.220 -1.850 1.00 0.00 N ATOM 1178 CA ASP A 87 13.574 -5.041 -0.722 1.00 0.00 C ATOM 1179 C ASP A 87 13.085 -4.138 0.412 1.00 0.00 C ATOM 1180 O ASP A 87 13.889 -3.518 1.106 1.00 0.00 O ATOM 1181 CB ASP A 87 14.748 -5.870 -0.195 1.00 0.00 C ATOM 1182 CG ASP A 87 14.423 -7.335 0.104 1.00 0.00 C ATOM 1183 OD1 ASP A 87 13.733 -7.568 1.120 1.00 0.00 O ATOM 1184 OD2 ASP A 87 14.870 -8.190 -0.693 1.00 0.00 O ATOM 0 H ASP A 87 14.963 -4.298 -2.102 1.00 0.00 H new ATOM 0 HA ASP A 87 12.783 -5.711 -1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.555 -5.835 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.123 -5.403 0.716 1.00 0.00 H new ATOM 1190 N CYS A 88 11.770 -4.094 0.565 1.00 0.00 N ATOM 1191 CA CYS A 88 11.164 -3.276 1.603 1.00 0.00 C ATOM 1192 C CYS A 88 11.125 -4.095 2.897 1.00 0.00 C ATOM 1193 O CYS A 88 10.050 -4.403 3.408 1.00 0.00 O ATOM 1194 CB CYS A 88 9.774 -2.785 1.197 1.00 0.00 C ATOM 1195 SG CYS A 88 8.753 -2.146 2.575 1.00 0.00 S ATOM 0 H CYS A 88 11.107 -4.611 -0.012 1.00 0.00 H new ATOM 0 HA CYS A 88 11.763 -2.379 1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.886 -1.998 0.451 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.240 -3.605 0.718 1.00 0.00 H new ATOM 1200 N THR A 89 12.312 -4.420 3.388 1.00 0.00 N ATOM 1201 CA THR A 89 12.427 -5.196 4.612 1.00 0.00 C ATOM 1202 C THR A 89 12.800 -4.287 5.786 1.00 0.00 C ATOM 1203 O THR A 89 12.559 -4.630 6.942 1.00 0.00 O ATOM 1204 CB THR A 89 13.437 -6.318 4.367 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.193 -7.241 5.426 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.881 -5.867 4.591 1.00 0.00 C ATOM 0 H THR A 89 13.201 -4.161 2.961 1.00 0.00 H new ATOM 0 HA THR A 89 11.474 -5.651 4.884 1.00 0.00 H new ATOM 0 HB THR A 89 13.328 -6.688 3.348 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.804 -8.002 5.344 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.556 -6.702 4.404 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.117 -5.050 3.910 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.001 -5.528 5.620 1.00 0.00 H new ATOM 1214 N THR A 90 13.384 -3.148 5.447 1.00 0.00 N ATOM 1215 CA THR A 90 13.793 -2.186 6.458 1.00 0.00 C ATOM 1216 C THR A 90 12.652 -1.217 6.765 1.00 0.00 C ATOM 1217 O THR A 90 12.346 -0.960 7.930 1.00 0.00 O ATOM 1218 CB THR A 90 15.065 -1.493 5.964 1.00 0.00 C ATOM 1219 OG1 THR A 90 16.092 -2.459 6.173 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.473 -0.316 6.853 1.00 0.00 C ATOM 0 H THR A 90 13.584 -2.869 4.487 1.00 0.00 H new ATOM 0 HA THR A 90 14.021 -2.678 7.403 1.00 0.00 H new ATOM 0 HB THR A 90 14.913 -1.142 4.943 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.951 -2.092 5.878 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.381 0.140 6.458 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.672 0.423 6.868 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.657 -0.672 7.867 1.00 0.00 H new ATOM 1228 N ALA A 91 12.051 -0.703 5.701 1.00 0.00 N ATOM 1229 CA ALA A 91 10.950 0.234 5.845 1.00 0.00 C ATOM 1230 C ALA A 91 9.629 -0.540 5.876 1.00 0.00 C ATOM 1231 O ALA A 91 9.478 -1.543 5.182 1.00 0.00 O ATOM 1232 CB ALA A 91 10.999 1.256 4.706 1.00 0.00 C ATOM 0 H ALA A 91 12.306 -0.918 4.737 1.00 0.00 H new ATOM 0 HA ALA A 91 11.033 0.784 6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.173 1.960 4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.944 1.797 4.743 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.914 0.740 3.750 1.00 0.00 H new ATOM 1238 N ALA A 92 8.709 -0.041 6.689 1.00 0.00 N ATOM 1239 CA ALA A 92 7.406 -0.673 6.821 1.00 0.00 C ATOM 1240 C ALA A 92 6.444 -0.064 5.800 1.00 0.00 C ATOM 1241 O ALA A 92 5.884 1.008 6.031 1.00 0.00 O ATOM 1242 CB ALA A 92 6.908 -0.518 8.259 1.00 0.00 C ATOM 0 H ALA A 92 8.839 0.792 7.262 1.00 0.00 H new ATOM 0 HA ALA A 92 7.473 -1.741 6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.931 -0.991 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.613 -0.993 8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.824 0.541 8.503 1.00 0.00 H new ATOM 1248 N CYS A 93 6.280 -0.772 4.693 1.00 0.00 N ATOM 1249 CA CYS A 93 5.393 -0.314 3.636 1.00 0.00 C ATOM 1250 C CYS A 93 3.949 -0.565 4.077 1.00 0.00 C ATOM 1251 O CYS A 93 3.622 -1.650 4.555 1.00 0.00 O ATOM 1252 CB CYS A 93 5.706 -0.992 2.301 1.00 0.00 C ATOM 1253 SG CYS A 93 7.478 -0.994 1.840 1.00 0.00 S ATOM 0 H CYS A 93 6.746 -1.660 4.504 1.00 0.00 H new ATOM 0 HA CYS A 93 5.542 0.753 3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.354 -2.023 2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.141 -0.493 1.514 1.00 0.00 H new ATOM 1258 N GLN A 94 3.125 0.457 3.904 1.00 0.00 N ATOM 1259 CA GLN A 94 1.724 0.362 4.278 1.00 0.00 C ATOM 1260 C GLN A 94 0.855 0.155 3.035 1.00 0.00 C ATOM 1261 O GLN A 94 0.823 1.006 2.148 1.00 0.00 O ATOM 1262 CB GLN A 94 1.280 1.600 5.057 1.00 0.00 C ATOM 1263 CG GLN A 94 1.953 1.657 6.429 1.00 0.00 C ATOM 1264 CD GLN A 94 2.288 3.098 6.819 1.00 0.00 C ATOM 1265 OE1 GLN A 94 3.311 3.647 6.444 1.00 0.00 O ATOM 1266 NE2 GLN A 94 1.369 3.678 7.588 1.00 0.00 N ATOM 0 H GLN A 94 3.401 1.356 3.509 1.00 0.00 H new ATOM 0 HA GLN A 94 1.600 -0.502 4.931 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.526 2.498 4.490 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.197 1.587 5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.295 1.218 7.179 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.864 1.059 6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.535 3.160 7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.499 4.640 7.900 1.00 0.00 H new ATOM 1275 N VAL A 95 0.173 -0.981 3.012 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.692 -1.312 1.893 1.00 0.00 C ATOM 1277 C VAL A 95 -2.086 -0.729 2.144 1.00 0.00 C ATOM 1278 O VAL A 95 -2.796 -1.172 3.044 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.709 -2.825 1.672 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.185 -3.167 0.258 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.667 -3.434 1.953 1.00 0.00 C ATOM 0 H VAL A 95 0.202 -1.684 3.751 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.312 -0.868 0.973 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.418 -3.260 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.188 -4.249 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.194 -2.781 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.513 -2.715 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.629 -4.511 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.405 -2.991 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.949 -3.235 2.987 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.434 0.257 1.330 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.729 0.905 1.452 1.00 0.00 C ATOM 1293 C GLY A 96 -4.092 1.654 0.166 1.00 0.00 C ATOM 1294 O GLY A 96 -3.302 1.693 -0.775 1.00 0.00 O ATOM 0 H GLY A 96 -1.842 0.623 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.493 0.159 1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.714 1.601 2.290 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.287 2.226 0.170 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.761 2.970 -0.982 1.00 0.00 C ATOM 1300 C LEU A 97 -5.712 4.469 -0.673 1.00 0.00 C ATOM 1301 O LEU A 97 -6.183 4.906 0.376 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.146 2.476 -1.407 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.777 1.405 -0.515 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -8.382 2.028 0.745 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.802 0.578 -1.293 1.00 0.00 C ATOM 0 H LEU A 97 -5.940 2.189 0.953 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.109 2.799 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.820 3.332 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.074 2.081 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.991 0.723 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.824 1.245 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.601 2.538 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.152 2.745 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.235 -0.176 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.591 1.232 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.311 0.088 -2.134 1.00 0.00 H new ATOM 1317 N SER A 98 -5.140 5.215 -1.606 1.00 0.00 N ATOM 1318 CA SER A 98 -5.023 6.655 -1.445 1.00 0.00 C ATOM 1319 C SER A 98 -6.038 7.365 -2.344 1.00 0.00 C ATOM 1320 O SER A 98 -6.287 6.933 -3.469 1.00 0.00 O ATOM 1321 CB SER A 98 -3.605 7.132 -1.766 1.00 0.00 C ATOM 1322 OG SER A 98 -3.520 8.553 -1.822 1.00 0.00 O ATOM 0 H SER A 98 -4.752 4.850 -2.476 1.00 0.00 H new ATOM 0 HA SER A 98 -5.233 6.901 -0.404 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.916 6.757 -1.009 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.289 6.712 -2.721 1.00 0.00 H new ATOM 0 HG SER A 98 -2.599 8.818 -2.028 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.597 8.443 -1.814 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.580 9.217 -2.555 1.00 0.00 C ATOM 1330 C ASP A 99 -6.869 10.036 -3.634 1.00 0.00 C ATOM 1331 O ASP A 99 -5.664 10.270 -3.549 1.00 0.00 O ATOM 1332 CB ASP A 99 -8.320 10.190 -1.634 1.00 0.00 C ATOM 1333 CG ASP A 99 -8.320 9.806 -0.153 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -9.427 9.795 0.429 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -7.216 9.532 0.363 1.00 0.00 O ATOM 0 H ASP A 99 -6.389 8.799 -0.881 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.295 8.522 -2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.871 11.178 -1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.353 10.273 -1.972 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.645 10.448 -4.626 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.105 11.236 -5.721 1.00 0.00 C ATOM 1343 C ALA A 100 -7.179 12.720 -5.361 1.00 0.00 C ATOM 1344 O ALA A 100 -6.814 13.576 -6.165 1.00 0.00 O ATOM 1345 CB ALA A 100 -7.863 10.908 -7.008 1.00 0.00 C ATOM 0 H ALA A 100 -8.643 10.251 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.056 10.991 -5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.458 11.499 -7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.753 9.848 -7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.919 11.143 -6.878 1.00 0.00 H new ATOM 1351 N ALA A 101 -7.656 12.980 -4.152 1.00 0.00 N ATOM 1352 CA ALA A 101 -7.784 14.348 -3.676 1.00 0.00 C ATOM 1353 C ALA A 101 -6.551 14.710 -2.844 1.00 0.00 C ATOM 1354 O ALA A 101 -6.272 15.887 -2.623 1.00 0.00 O ATOM 1355 CB ALA A 101 -9.086 14.494 -2.886 1.00 0.00 C ATOM 0 H ALA A 101 -7.958 12.267 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.832 15.044 -4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.182 15.519 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.932 14.253 -3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.073 13.813 -2.035 1.00 0.00 H new ATOM 1361 N GLY A 102 -5.851 13.676 -2.403 1.00 0.00 N ATOM 1362 CA GLY A 102 -4.655 13.871 -1.600 1.00 0.00 C ATOM 1363 C GLY A 102 -5.007 14.000 -0.117 1.00 0.00 C ATOM 1364 O GLY A 102 -4.587 14.949 0.545 1.00 0.00 O ATOM 0 H GLY A 102 -6.088 12.701 -2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.975 13.032 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.131 14.767 -1.933 1.00 0.00 H new ATOM 1368 N ASN A 103 -5.775 13.033 0.364 1.00 0.00 N ATOM 1369 CA ASN A 103 -6.190 13.027 1.755 1.00 0.00 C ATOM 1370 C ASN A 103 -5.436 11.923 2.502 1.00 0.00 C ATOM 1371 O ASN A 103 -5.106 10.892 1.920 1.00 0.00 O ATOM 1372 CB ASN A 103 -7.687 12.747 1.884 1.00 0.00 C ATOM 1373 CG ASN A 103 -8.489 13.586 0.888 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -9.015 13.093 -0.098 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -8.555 14.878 1.197 1.00 0.00 N ATOM 0 H ASN A 103 -6.121 12.247 -0.187 1.00 0.00 H new ATOM 0 HA ASN A 103 -5.971 14.008 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.879 11.688 1.711 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.016 12.968 2.899 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.068 15.521 0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.092 15.226 2.037 1.00 0.00 H new ATOM 1382 N GLY A 104 -5.189 12.178 3.778 1.00 0.00 N ATOM 1383 CA GLY A 104 -4.481 11.219 4.609 1.00 0.00 C ATOM 1384 C GLY A 104 -4.860 9.784 4.236 1.00 0.00 C ATOM 1385 O GLY A 104 -5.883 9.271 4.686 1.00 0.00 O ATOM 0 H GLY A 104 -5.466 13.035 4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.406 11.357 4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.715 11.399 5.658 1.00 0.00 H new ATOM 1389 N PRO A 105 -3.992 9.162 3.393 1.00 0.00 N ATOM 1390 CA PRO A 105 -4.225 7.796 2.954 1.00 0.00 C ATOM 1391 C PRO A 105 -3.913 6.799 4.071 1.00 0.00 C ATOM 1392 O PRO A 105 -2.821 6.820 4.639 1.00 0.00 O ATOM 1393 CB PRO A 105 -3.339 7.620 1.733 1.00 0.00 C ATOM 1394 CG PRO A 105 -2.299 8.725 1.809 1.00 0.00 C ATOM 1395 CD PRO A 105 -2.770 9.738 2.840 1.00 0.00 C ATOM 0 HA PRO A 105 -5.269 7.607 2.702 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.866 6.638 1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.921 7.694 0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.328 8.317 2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.175 9.200 0.836 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.019 9.893 3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.961 10.709 2.383 1.00 0.00 H new ATOM 1403 N GLU A 106 -4.889 5.949 4.354 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.731 4.947 5.395 1.00 0.00 C ATOM 1405 C GLU A 106 -4.163 3.654 4.803 1.00 0.00 C ATOM 1406 O GLU A 106 -4.755 3.072 3.893 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.057 4.686 6.111 1.00 0.00 C ATOM 1408 CG GLU A 106 -6.060 5.317 7.505 1.00 0.00 C ATOM 1409 CD GLU A 106 -6.473 6.789 7.441 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -7.669 7.053 7.695 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -5.586 7.614 7.138 1.00 0.00 O ATOM 0 H GLU A 106 -5.792 5.933 3.881 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.026 5.327 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.879 5.093 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.225 3.612 6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.746 4.771 8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.068 5.233 7.948 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.027 3.244 5.341 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.373 2.030 4.879 1.00 0.00 C ATOM 1421 C GLY A 107 -1.973 1.140 6.057 1.00 0.00 C ATOM 1422 O GLY A 107 -1.744 1.631 7.162 1.00 0.00 O ATOM 0 H GLY A 107 -2.540 3.730 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.042 1.482 4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.488 2.288 4.297 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.899 -0.155 5.781 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.530 -1.118 6.805 1.00 0.00 C ATOM 1428 C VAL A 108 -0.087 -1.570 6.575 1.00 0.00 C ATOM 1429 O VAL A 108 0.220 -2.182 5.552 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.527 -2.280 6.814 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.206 -3.286 5.708 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.561 -2.960 8.184 1.00 0.00 C ATOM 0 H VAL A 108 -2.088 -0.559 4.864 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.575 -0.662 7.794 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.519 -1.874 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.929 -4.101 5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.257 -2.790 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.203 -3.685 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.277 -3.782 8.165 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.570 -3.347 8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.860 -2.236 8.942 1.00 0.00 H new ATOM 1442 N ALA A 109 0.761 -1.254 7.543 1.00 0.00 N ATOM 1443 CA ALA A 109 2.164 -1.621 7.459 1.00 0.00 C ATOM 1444 C ALA A 109 2.284 -3.144 7.378 1.00 0.00 C ATOM 1445 O ALA A 109 2.369 -3.819 8.404 1.00 0.00 O ATOM 1446 CB ALA A 109 2.917 -1.039 8.656 1.00 0.00 C ATOM 0 H ALA A 109 0.503 -0.748 8.390 1.00 0.00 H new ATOM 0 HA ALA A 109 2.616 -1.207 6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.970 -1.315 8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.825 0.047 8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.493 -1.434 9.579 1.00 0.00 H new ATOM 1452 N ILE A 110 2.289 -3.642 6.152 1.00 0.00 N ATOM 1453 CA ILE A 110 2.398 -5.073 5.924 1.00 0.00 C ATOM 1454 C ILE A 110 3.866 -5.441 5.708 1.00 0.00 C ATOM 1455 O ILE A 110 4.597 -4.721 5.030 1.00 0.00 O ATOM 1456 CB ILE A 110 1.481 -5.504 4.778 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.637 -6.717 5.174 1.00 0.00 C ATOM 1458 CG2 ILE A 110 2.283 -5.757 3.499 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.149 -6.443 6.458 1.00 0.00 C ATOM 0 H ILE A 110 2.219 -3.080 5.304 1.00 0.00 H new ATOM 0 HA ILE A 110 2.057 -5.625 6.800 1.00 0.00 H new ATOM 0 HB ILE A 110 0.790 -4.687 4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.053 -6.964 4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.283 -7.583 5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.607 -6.062 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.801 -4.843 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.013 -6.546 3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.740 -7.321 6.717 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.545 -6.221 7.269 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.812 -5.592 6.304 1.00 0.00 H new ATOM 1471 N SER A 111 4.256 -6.562 6.299 1.00 0.00 N ATOM 1472 CA SER A 111 5.624 -7.033 6.181 1.00 0.00 C ATOM 1473 C SER A 111 5.822 -8.283 7.039 1.00 0.00 C ATOM 1474 O SER A 111 6.228 -9.329 6.535 1.00 0.00 O ATOM 1475 CB SER A 111 6.619 -5.945 6.591 1.00 0.00 C ATOM 1476 OG SER A 111 7.839 -6.034 5.858 1.00 0.00 O ATOM 0 H SER A 111 3.647 -7.157 6.861 1.00 0.00 H new ATOM 0 HA SER A 111 5.811 -7.283 5.137 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.171 -4.964 6.431 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.830 -6.029 7.657 1.00 0.00 H new ATOM 0 HG SER A 111 8.447 -5.322 6.147 1.00 0.00 H new