USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 653 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 42 THR OG1 : rot 180:sc= -1.23 USER MOD Set 1.2: A 54 MET CE :methyl -113:sc= -1.13 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= -0.0366 (180deg=-0.762) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= -0.921 (180deg=-1.33) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.64 F(o=-5.6!,f=-1.6) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 11 ASN :FLIP amide:sc= -8.58! C(o=-10!,f=-8.6!) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0849) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.416 K(o=-0.42,f=-0.97!) USER MOD Single : A 21 MET CE :methyl -157:sc= -0.0199 (180deg=-0.453) USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= -2.71 (180deg=-2.91) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -3.82! C(o=-3.8!,f=-4.1!) USER MOD Single : A 38 ASN : amide:sc= -6.79! C(o=-6.8!,f=-18!) USER MOD Single : A 47 ASN :FLIP amide:sc= -1.7! C(o=-3.8!,f=-1.7!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.8! USER MOD Single : A 71 GLN :FLIP amide:sc= 0.588 F(o=0,f=0.59) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.078) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.407 -12.852 17.441 1.00 0.00 N ATOM 2 CA MET A 1 46.975 -12.776 18.817 1.00 0.00 C ATOM 3 C MET A 1 48.414 -12.275 18.745 1.00 0.00 C ATOM 4 O MET A 1 48.657 -11.084 18.548 1.00 0.00 O ATOM 5 CB MET A 1 46.933 -14.166 19.460 1.00 0.00 C ATOM 6 CG MET A 1 47.259 -15.228 18.407 1.00 0.00 C ATOM 7 SD MET A 1 47.738 -16.766 19.232 1.00 0.00 S ATOM 8 CE MET A 1 47.323 -17.889 17.875 1.00 0.00 C ATOM 0 H1 MET A 1 45.566 -13.463 17.446 1.00 0.00 H new ATOM 0 H2 MET A 1 46.141 -11.899 17.122 1.00 0.00 H new ATOM 0 H3 MET A 1 47.118 -13.247 16.793 1.00 0.00 H new ATOM 0 HA MET A 1 46.388 -12.085 19.421 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.649 -14.220 20.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 45.947 -14.352 19.885 1.00 0.00 H new ATOM 0 HG2 MET A 1 46.393 -15.400 17.768 1.00 0.00 H new ATOM 0 HG3 MET A 1 48.067 -14.881 17.763 1.00 0.00 H new ATOM 0 HE1 MET A 1 47.543 -18.915 18.171 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.263 -17.799 17.640 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.913 -17.631 16.996 1.00 0.00 H new ATOM 20 N THR A 2 49.364 -13.193 18.908 1.00 0.00 N ATOM 21 CA THR A 2 50.782 -12.841 18.862 1.00 0.00 C ATOM 22 C THR A 2 51.494 -13.621 17.765 1.00 0.00 C ATOM 23 O THR A 2 51.139 -14.765 17.482 1.00 0.00 O ATOM 24 CB THR A 2 51.450 -13.182 20.202 1.00 0.00 C ATOM 25 OG1 THR A 2 50.454 -13.542 21.148 1.00 0.00 O ATOM 26 CG2 THR A 2 52.234 -11.975 20.719 1.00 0.00 C ATOM 0 H THR A 2 49.179 -14.183 19.073 1.00 0.00 H new ATOM 0 HA THR A 2 50.856 -11.772 18.661 1.00 0.00 H new ATOM 0 HB THR A 2 52.137 -14.016 20.057 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.879 -13.762 22.003 1.00 0.00 H new ATOM 0 HG21 THR A 2 52.704 -12.227 21.670 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.002 -11.703 19.995 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.555 -11.134 20.861 1.00 0.00 H new ATOM 34 N VAL A 3 52.534 -13.028 17.186 1.00 0.00 N ATOM 35 CA VAL A 3 53.306 -13.704 16.187 1.00 0.00 C ATOM 36 C VAL A 3 54.740 -13.352 16.380 1.00 0.00 C ATOM 37 O VAL A 3 55.089 -12.198 16.618 1.00 0.00 O ATOM 38 CB VAL A 3 52.909 -13.313 14.791 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.663 -14.078 14.403 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.672 -11.805 14.715 1.00 0.00 C ATOM 0 H VAL A 3 52.849 -12.082 17.401 1.00 0.00 H new ATOM 0 HA VAL A 3 53.130 -14.774 16.299 1.00 0.00 H new ATOM 0 HB VAL A 3 53.709 -13.560 14.094 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.366 -13.801 13.391 1.00 0.00 H new ATOM 0 HG12 VAL A 3 51.866 -15.148 14.442 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.857 -13.836 15.096 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.385 -11.533 13.699 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.875 -11.527 15.404 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.587 -11.279 14.987 1.00 0.00 H new ATOM 50 N LYS A 4 55.557 -14.351 16.281 1.00 0.00 N ATOM 51 CA LYS A 4 56.957 -14.165 16.447 1.00 0.00 C ATOM 52 C LYS A 4 57.718 -15.189 15.658 1.00 0.00 C ATOM 53 O LYS A 4 57.352 -16.363 15.603 1.00 0.00 O ATOM 54 CB LYS A 4 57.320 -14.251 17.909 1.00 0.00 C ATOM 55 CG LYS A 4 56.760 -15.551 18.521 1.00 0.00 C ATOM 56 CD LYS A 4 55.562 -15.252 19.447 1.00 0.00 C ATOM 57 CE LYS A 4 54.245 -15.198 18.648 1.00 0.00 C ATOM 58 NZ LYS A 4 53.211 -16.004 19.356 1.00 0.00 N ATOM 0 H LYS A 4 55.273 -15.311 16.084 1.00 0.00 H new ATOM 0 HA LYS A 4 57.226 -13.176 16.076 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.404 -14.223 18.024 1.00 0.00 H new ATOM 0 HB3 LYS A 4 56.921 -13.388 18.442 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.450 -16.228 17.725 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.543 -16.059 19.085 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.493 -16.020 20.217 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.721 -14.302 19.958 1.00 0.00 H new ATOM 0 HE2 LYS A 4 53.911 -14.166 18.544 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.400 -15.586 17.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 52.291 -15.876 18.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.476 -17.009 19.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 53.143 -15.690 20.345 1.00 0.00 H new ATOM 72 N GLN A 5 58.754 -14.717 15.011 1.00 0.00 N ATOM 73 CA GLN A 5 59.554 -15.565 14.169 1.00 0.00 C ATOM 74 C GLN A 5 61.006 -15.131 14.180 1.00 0.00 C ATOM 75 O GLN A 5 61.333 -13.981 14.446 1.00 0.00 O ATOM 76 CB GLN A 5 59.009 -15.488 12.758 1.00 0.00 C ATOM 77 CG GLN A 5 57.479 -15.468 12.802 1.00 0.00 C ATOM 78 CD GLN A 5 56.921 -15.516 11.383 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.377 -14.680 10.488 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.052 -16.333 11.082 1.00 0.00 N flip ATOM 0 H GLN A 5 59.063 -13.746 15.053 1.00 0.00 H new ATOM 0 HA GLN A 5 59.508 -16.588 14.543 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.381 -14.592 12.262 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.356 -16.342 12.176 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.111 -16.318 13.376 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.132 -14.567 13.309 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.699 -16.984 11.784 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.685 -16.360 10.131 1.00 0.00 H new ATOM 89 N THR A 6 61.866 -16.075 13.896 1.00 0.00 N ATOM 90 CA THR A 6 63.281 -15.841 13.861 1.00 0.00 C ATOM 91 C THR A 6 63.771 -15.846 12.422 1.00 0.00 C ATOM 92 O THR A 6 63.821 -16.897 11.783 1.00 0.00 O ATOM 93 CB THR A 6 63.980 -16.936 14.655 1.00 0.00 C ATOM 94 OG1 THR A 6 63.229 -17.223 15.827 1.00 0.00 O ATOM 95 CG2 THR A 6 65.363 -16.459 15.041 1.00 0.00 C ATOM 0 H THR A 6 61.598 -17.035 13.681 1.00 0.00 H new ATOM 0 HA THR A 6 63.506 -14.869 14.301 1.00 0.00 H new ATOM 0 HB THR A 6 64.060 -17.839 14.050 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.677 -17.929 16.338 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.871 -17.238 15.610 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.935 -16.236 14.141 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.281 -15.559 15.651 1.00 0.00 H new ATOM 103 N VAL A 7 64.121 -14.672 11.904 1.00 0.00 N ATOM 104 CA VAL A 7 64.588 -14.588 10.523 1.00 0.00 C ATOM 105 C VAL A 7 66.114 -14.567 10.463 1.00 0.00 C ATOM 106 O VAL A 7 66.755 -13.640 10.957 1.00 0.00 O ATOM 107 CB VAL A 7 64.028 -13.318 9.852 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.832 -13.549 8.342 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.683 -12.952 10.491 1.00 0.00 C ATOM 0 H VAL A 7 64.092 -13.784 12.406 1.00 0.00 H new ATOM 0 HA VAL A 7 64.231 -15.469 9.991 1.00 0.00 H new ATOM 0 HB VAL A 7 64.738 -12.504 9.994 1.00 0.00 H new ATOM 0 HG11 VAL A 7 63.436 -12.643 7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.790 -13.798 7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.131 -14.370 8.187 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.287 -12.054 10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.980 -13.774 10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.824 -12.767 11.556 1.00 0.00 H new ATOM 119 N GLU A 8 66.689 -15.586 9.829 1.00 0.00 N ATOM 120 CA GLU A 8 68.137 -15.660 9.685 1.00 0.00 C ATOM 121 C GLU A 8 68.563 -14.737 8.555 1.00 0.00 C ATOM 122 O GLU A 8 68.239 -14.984 7.393 1.00 0.00 O ATOM 123 CB GLU A 8 68.568 -17.096 9.374 1.00 0.00 C ATOM 124 CG GLU A 8 67.839 -18.066 10.309 1.00 0.00 C ATOM 125 CD GLU A 8 66.421 -18.314 9.804 1.00 0.00 C ATOM 126 OE1 GLU A 8 65.492 -17.987 10.523 1.00 0.00 O ATOM 127 OE2 GLU A 8 66.286 -18.827 8.705 1.00 0.00 O ATOM 0 H GLU A 8 66.179 -16.364 9.411 1.00 0.00 H new ATOM 0 HA GLU A 8 68.612 -15.352 10.617 1.00 0.00 H new ATOM 0 HB2 GLU A 8 68.342 -17.337 8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.646 -17.197 9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.384 -19.008 10.365 1.00 0.00 H new ATOM 0 HG3 GLU A 8 67.807 -17.656 11.318 1.00 0.00 H new ATOM 134 N ILE A 9 69.259 -13.657 8.891 1.00 0.00 N ATOM 135 CA ILE A 9 69.669 -12.708 7.866 1.00 0.00 C ATOM 136 C ILE A 9 70.903 -13.165 7.130 1.00 0.00 C ATOM 137 O ILE A 9 71.835 -13.712 7.720 1.00 0.00 O ATOM 138 CB ILE A 9 70.005 -11.330 8.456 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.371 -11.149 9.846 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.525 -10.244 7.492 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.683 -9.785 9.956 1.00 0.00 C ATOM 0 H ILE A 9 69.545 -13.421 9.841 1.00 0.00 H new ATOM 0 HA ILE A 9 68.817 -12.643 7.189 1.00 0.00 H new ATOM 0 HB ILE A 9 71.085 -11.251 8.583 1.00 0.00 H new ATOM 0 HG12 ILE A 9 68.646 -11.943 10.026 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.138 -11.238 10.615 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.760 -9.262 7.904 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.025 -10.364 6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.447 -10.331 7.353 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.242 -9.679 10.947 1.00 0.00 H new ATOM 0 HD12 ILE A 9 69.416 -8.994 9.799 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.901 -9.710 9.201 1.00 0.00 H new ATOM 153 N THR A 10 70.940 -12.836 5.855 1.00 0.00 N ATOM 154 CA THR A 10 72.101 -13.106 5.069 1.00 0.00 C ATOM 155 C THR A 10 73.082 -12.020 5.454 1.00 0.00 C ATOM 156 O THR A 10 74.289 -12.124 5.238 1.00 0.00 O ATOM 157 CB THR A 10 71.739 -13.030 3.585 1.00 0.00 C ATOM 158 OG1 THR A 10 70.324 -13.012 3.451 1.00 0.00 O ATOM 159 CG2 THR A 10 72.299 -14.244 2.855 1.00 0.00 C ATOM 0 H THR A 10 70.176 -12.383 5.353 1.00 0.00 H new ATOM 0 HA THR A 10 72.518 -14.098 5.241 1.00 0.00 H new ATOM 0 HB THR A 10 72.164 -12.124 3.154 1.00 0.00 H new ATOM 0 HG1 THR A 10 70.086 -12.962 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 10 72.038 -14.185 1.798 1.00 0.00 H new ATOM 0 HG22 THR A 10 73.384 -14.264 2.961 1.00 0.00 H new ATOM 0 HG23 THR A 10 71.876 -15.153 3.283 1.00 0.00 H new ATOM 167 N ASN A 11 72.498 -10.985 6.079 1.00 0.00 N ATOM 168 CA ASN A 11 73.232 -9.833 6.583 1.00 0.00 C ATOM 169 C ASN A 11 72.401 -8.553 6.440 1.00 0.00 C ATOM 170 O ASN A 11 72.814 -7.489 6.901 1.00 0.00 O ATOM 171 CB ASN A 11 74.575 -9.678 5.848 1.00 0.00 C ATOM 172 CG ASN A 11 75.099 -8.248 5.957 1.00 0.00 C ATOM 173 OD1 ASN A 11 76.192 -8.014 6.626 1.00 0.00 O flip ATOM 174 ND2 ASN A 11 74.503 -7.322 5.406 1.00 0.00 N flip ATOM 0 H ASN A 11 71.493 -10.932 6.246 1.00 0.00 H new ATOM 0 HA ASN A 11 73.432 -10.000 7.641 1.00 0.00 H new ATOM 0 HB2 ASN A 11 75.305 -10.369 6.269 1.00 0.00 H new ATOM 0 HB3 ASN A 11 74.452 -9.944 4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 11 73.647 -7.506 4.882 1.00 0.00 H new ATOM 0 HD22 ASN A 11 74.865 -6.371 5.473 1.00 0.00 H new ATOM 181 N LYS A 12 71.231 -8.654 5.806 1.00 0.00 N ATOM 182 CA LYS A 12 70.374 -7.482 5.620 1.00 0.00 C ATOM 183 C LYS A 12 69.021 -7.661 6.304 1.00 0.00 C ATOM 184 O LYS A 12 68.089 -8.224 5.729 1.00 0.00 O ATOM 185 CB LYS A 12 70.161 -7.222 4.129 1.00 0.00 C ATOM 186 CG LYS A 12 70.031 -8.553 3.385 1.00 0.00 C ATOM 187 CD LYS A 12 69.686 -8.286 1.918 1.00 0.00 C ATOM 188 CE LYS A 12 69.917 -9.555 1.095 1.00 0.00 C ATOM 189 NZ LYS A 12 71.375 -9.719 0.831 1.00 0.00 N ATOM 0 H LYS A 12 70.860 -9.521 5.418 1.00 0.00 H new ATOM 0 HA LYS A 12 70.876 -6.629 6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 12 69.263 -6.622 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 12 70.997 -6.650 3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 12 70.964 -9.113 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 12 69.256 -9.166 3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 12 68.647 -7.968 1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.301 -7.473 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 12 69.534 -10.423 1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 12 69.371 -9.495 0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.517 -10.456 0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 71.769 -8.820 0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 71.858 -9.997 1.709 1.00 0.00 H new ATOM 203 N LEU A 13 68.921 -7.154 7.529 1.00 0.00 N ATOM 204 CA LEU A 13 67.675 -7.231 8.291 1.00 0.00 C ATOM 205 C LEU A 13 66.628 -6.376 7.610 1.00 0.00 C ATOM 206 O LEU A 13 65.956 -5.578 8.262 1.00 0.00 O ATOM 207 CB LEU A 13 67.900 -6.696 9.719 1.00 0.00 C ATOM 208 CG LEU A 13 66.576 -6.701 10.521 1.00 0.00 C ATOM 209 CD1 LEU A 13 66.674 -7.674 11.696 1.00 0.00 C ATOM 210 CD2 LEU A 13 66.297 -5.295 11.073 1.00 0.00 C ATOM 0 H LEU A 13 69.685 -6.686 8.016 1.00 0.00 H new ATOM 0 HA LEU A 13 67.346 -8.269 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.642 -7.309 10.230 1.00 0.00 H new ATOM 0 HB3 LEU A 13 68.300 -5.683 9.674 1.00 0.00 H new ATOM 0 HG LEU A 13 65.770 -7.009 9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 13 65.737 -7.668 12.252 1.00 0.00 H new ATOM 0 HD12 LEU A 13 66.867 -8.679 11.321 1.00 0.00 H new ATOM 0 HD13 LEU A 13 67.488 -7.369 12.354 1.00 0.00 H new ATOM 0 HD21 LEU A 13 65.364 -5.304 11.637 1.00 0.00 H new ATOM 0 HD22 LEU A 13 67.114 -4.993 11.728 1.00 0.00 H new ATOM 0 HD23 LEU A 13 66.215 -4.589 10.246 1.00 0.00 H new ATOM 222 N GLY A 14 66.516 -6.491 6.289 1.00 0.00 N ATOM 223 CA GLY A 14 65.568 -5.644 5.583 1.00 0.00 C ATOM 224 C GLY A 14 65.762 -4.237 6.117 1.00 0.00 C ATOM 225 O GLY A 14 64.898 -3.369 6.010 1.00 0.00 O ATOM 0 H GLY A 14 67.049 -7.137 5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 14 65.744 -5.678 4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 14 64.546 -5.984 5.750 1.00 0.00 H new ATOM 229 N MET A 15 66.929 -4.071 6.736 1.00 0.00 N ATOM 230 CA MET A 15 67.326 -2.828 7.361 1.00 0.00 C ATOM 231 C MET A 15 67.232 -1.665 6.380 1.00 0.00 C ATOM 232 O MET A 15 66.288 -1.580 5.597 1.00 0.00 O ATOM 233 CB MET A 15 68.759 -2.986 7.890 1.00 0.00 C ATOM 234 CG MET A 15 69.759 -2.970 6.723 1.00 0.00 C ATOM 235 SD MET A 15 71.093 -4.149 7.056 1.00 0.00 S ATOM 236 CE MET A 15 72.467 -3.116 6.487 1.00 0.00 C ATOM 0 H MET A 15 67.628 -4.810 6.814 1.00 0.00 H new ATOM 0 HA MET A 15 66.651 -2.603 8.187 1.00 0.00 H new ATOM 0 HB2 MET A 15 68.989 -2.180 8.587 1.00 0.00 H new ATOM 0 HB3 MET A 15 68.849 -3.921 8.443 1.00 0.00 H new ATOM 0 HG2 MET A 15 69.253 -3.230 5.793 1.00 0.00 H new ATOM 0 HG3 MET A 15 70.168 -1.968 6.594 1.00 0.00 H new ATOM 0 HE1 MET A 15 73.404 -3.660 6.605 1.00 0.00 H new ATOM 0 HE2 MET A 15 72.323 -2.866 5.436 1.00 0.00 H new ATOM 0 HE3 MET A 15 72.502 -2.200 7.077 1.00 0.00 H new ATOM 246 N HIS A 16 68.205 -0.765 6.437 1.00 0.00 N ATOM 247 CA HIS A 16 68.212 0.399 5.558 1.00 0.00 C ATOM 248 C HIS A 16 67.286 1.468 6.125 1.00 0.00 C ATOM 249 O HIS A 16 67.251 2.599 5.642 1.00 0.00 O ATOM 250 CB HIS A 16 67.760 0.007 4.143 1.00 0.00 C ATOM 251 CG HIS A 16 68.394 0.920 3.125 1.00 0.00 C ATOM 252 ND1 HIS A 16 69.414 1.801 3.450 1.00 0.00 N ATOM 253 CD2 HIS A 16 68.161 1.098 1.783 1.00 0.00 C ATOM 254 CE1 HIS A 16 69.755 2.461 2.328 1.00 0.00 C ATOM 255 NE2 HIS A 16 69.021 2.071 1.283 1.00 0.00 N ATOM 0 H HIS A 16 68.996 -0.817 7.079 1.00 0.00 H new ATOM 0 HA HIS A 16 69.227 0.792 5.498 1.00 0.00 H new ATOM 0 HB2 HIS A 16 68.037 -1.027 3.938 1.00 0.00 H new ATOM 0 HB3 HIS A 16 66.674 0.067 4.070 1.00 0.00 H new ATOM 0 HD2 HIS A 16 67.422 0.564 1.204 1.00 0.00 H new ATOM 0 HE1 HIS A 16 70.528 3.214 2.279 1.00 0.00 H new ATOM 0 HE2 HIS A 16 69.078 2.413 0.324 1.00 0.00 H new ATOM 263 N ALA A 17 66.548 1.091 7.168 1.00 0.00 N ATOM 264 CA ALA A 17 65.626 2.007 7.830 1.00 0.00 C ATOM 265 C ALA A 17 64.269 2.043 7.126 1.00 0.00 C ATOM 266 O ALA A 17 63.283 1.524 7.645 1.00 0.00 O ATOM 267 CB ALA A 17 66.227 3.419 7.877 1.00 0.00 C ATOM 0 H ALA A 17 66.572 0.155 7.572 1.00 0.00 H new ATOM 0 HA ALA A 17 65.469 1.645 8.846 1.00 0.00 H new ATOM 0 HB1 ALA A 17 65.530 4.095 8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 17 67.166 3.396 8.429 1.00 0.00 H new ATOM 0 HB3 ALA A 17 66.412 3.770 6.862 1.00 0.00 H new ATOM 273 N ARG A 18 64.226 2.679 5.959 1.00 0.00 N ATOM 274 CA ARG A 18 62.982 2.811 5.199 1.00 0.00 C ATOM 275 C ARG A 18 62.022 1.638 5.438 1.00 0.00 C ATOM 276 O ARG A 18 60.852 1.854 5.755 1.00 0.00 O ATOM 277 CB ARG A 18 63.292 2.944 3.697 1.00 0.00 C ATOM 278 CG ARG A 18 62.705 4.255 3.156 1.00 0.00 C ATOM 279 CD ARG A 18 63.081 4.424 1.678 1.00 0.00 C ATOM 280 NE ARG A 18 63.468 5.807 1.399 1.00 0.00 N ATOM 281 CZ ARG A 18 62.791 6.844 1.889 1.00 0.00 C ATOM 282 NH1 ARG A 18 63.207 8.058 1.658 1.00 0.00 N ATOM 283 NH2 ARG A 18 61.700 6.653 2.579 1.00 0.00 N ATOM 0 H ARG A 18 65.037 3.112 5.517 1.00 0.00 H new ATOM 0 HA ARG A 18 62.482 3.713 5.552 1.00 0.00 H new ATOM 0 HB2 ARG A 18 64.370 2.924 3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 18 62.873 2.097 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 18 61.621 4.251 3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 18 63.081 5.098 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 18 63.903 3.753 1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 18 62.237 4.143 1.048 1.00 0.00 H new ATOM 0 HE ARG A 18 64.282 5.983 0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 18 64.049 8.212 1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 18 62.690 8.854 2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 18 61.361 5.705 2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 18 61.186 7.451 2.952 1.00 0.00 H new ATOM 297 N PRO A 19 62.466 0.415 5.277 1.00 0.00 N ATOM 298 CA PRO A 19 61.592 -0.779 5.465 1.00 0.00 C ATOM 299 C PRO A 19 61.407 -1.146 6.942 1.00 0.00 C ATOM 300 O PRO A 19 60.278 -1.330 7.417 1.00 0.00 O ATOM 301 CB PRO A 19 62.334 -1.897 4.702 1.00 0.00 C ATOM 302 CG PRO A 19 63.581 -1.275 4.133 1.00 0.00 C ATOM 303 CD PRO A 19 63.822 0.015 4.908 1.00 0.00 C ATOM 0 HA PRO A 19 60.581 -0.605 5.098 1.00 0.00 H new ATOM 0 HB2 PRO A 19 62.582 -2.722 5.369 1.00 0.00 H new ATOM 0 HB3 PRO A 19 61.708 -2.306 3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 19 64.430 -1.951 4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 19 63.460 -1.070 3.069 1.00 0.00 H new ATOM 0 HD2 PRO A 19 64.450 -0.148 5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.317 0.770 4.297 1.00 0.00 H new ATOM 311 N ALA A 20 62.515 -1.226 7.670 1.00 0.00 N ATOM 312 CA ALA A 20 62.451 -1.550 9.087 1.00 0.00 C ATOM 313 C ALA A 20 61.730 -0.432 9.821 1.00 0.00 C ATOM 314 O ALA A 20 61.217 -0.619 10.923 1.00 0.00 O ATOM 315 CB ALA A 20 63.864 -1.749 9.642 1.00 0.00 C ATOM 0 H ALA A 20 63.456 -1.073 7.307 1.00 0.00 H new ATOM 0 HA ALA A 20 61.899 -2.479 9.231 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.807 -1.991 10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.353 -2.565 9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.439 -0.833 9.509 1.00 0.00 H new ATOM 321 N MET A 21 61.663 0.722 9.170 1.00 0.00 N ATOM 322 CA MET A 21 60.960 1.865 9.729 1.00 0.00 C ATOM 323 C MET A 21 59.494 1.751 9.351 1.00 0.00 C ATOM 324 O MET A 21 58.612 2.169 10.101 1.00 0.00 O ATOM 325 CB MET A 21 61.535 3.180 9.188 1.00 0.00 C ATOM 326 CG MET A 21 62.867 3.503 9.887 1.00 0.00 C ATOM 327 SD MET A 21 62.782 5.154 10.629 1.00 0.00 S ATOM 328 CE MET A 21 62.647 6.092 9.087 1.00 0.00 C ATOM 0 H MET A 21 62.086 0.889 8.257 1.00 0.00 H new ATOM 0 HA MET A 21 61.078 1.869 10.813 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.690 3.103 8.112 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.824 3.990 9.350 1.00 0.00 H new ATOM 0 HG2 MET A 21 63.075 2.759 10.655 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.686 3.458 9.169 1.00 0.00 H new ATOM 0 HE1 MET A 21 62.984 7.115 9.253 1.00 0.00 H new ATOM 0 HE2 MET A 21 63.267 5.625 8.322 1.00 0.00 H new ATOM 0 HE3 MET A 21 61.608 6.101 8.757 1.00 0.00 H new ATOM 338 N LYS A 22 59.240 1.152 8.186 1.00 0.00 N ATOM 339 CA LYS A 22 57.873 0.960 7.737 1.00 0.00 C ATOM 340 C LYS A 22 57.097 0.278 8.850 1.00 0.00 C ATOM 341 O LYS A 22 55.990 0.677 9.178 1.00 0.00 O ATOM 342 CB LYS A 22 57.841 0.138 6.434 1.00 0.00 C ATOM 343 CG LYS A 22 57.389 -1.308 6.700 1.00 0.00 C ATOM 344 CD LYS A 22 57.503 -2.136 5.410 1.00 0.00 C ATOM 345 CE LYS A 22 56.159 -2.145 4.674 1.00 0.00 C ATOM 346 NZ LYS A 22 55.544 -0.789 4.736 1.00 0.00 N ATOM 0 H LYS A 22 59.955 0.799 7.550 1.00 0.00 H new ATOM 0 HA LYS A 22 57.410 1.921 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.164 0.608 5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 22 58.831 0.134 5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.003 -1.752 7.483 1.00 0.00 H new ATOM 0 HG3 LYS A 22 56.360 -1.317 7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.277 -1.718 4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 22 57.804 -3.156 5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.304 -2.442 3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 22 55.491 -2.879 5.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 54.684 -0.771 4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 55.298 -0.564 5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 56.220 -0.084 4.379 1.00 0.00 H new ATOM 360 N LEU A 23 57.720 -0.720 9.469 1.00 0.00 N ATOM 361 CA LEU A 23 57.114 -1.410 10.584 1.00 0.00 C ATOM 362 C LEU A 23 56.410 -0.394 11.453 1.00 0.00 C ATOM 363 O LEU A 23 55.277 -0.590 11.880 1.00 0.00 O ATOM 364 CB LEU A 23 58.225 -2.055 11.408 1.00 0.00 C ATOM 365 CG LEU A 23 58.450 -3.517 11.021 1.00 0.00 C ATOM 366 CD1 LEU A 23 59.355 -3.616 9.778 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.126 -4.205 12.204 1.00 0.00 C ATOM 0 H LEU A 23 58.645 -1.063 9.211 1.00 0.00 H new ATOM 0 HA LEU A 23 56.409 -2.162 10.229 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.151 -1.497 11.269 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.973 -1.995 12.467 1.00 0.00 H new ATOM 0 HG LEU A 23 57.499 -3.992 10.782 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.503 -4.664 9.518 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.884 -3.098 8.943 1.00 0.00 H new ATOM 0 HD13 LEU A 23 60.319 -3.155 9.992 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.303 -5.253 11.963 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.077 -3.716 12.414 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.482 -4.138 13.081 1.00 0.00 H new ATOM 379 N PHE A 24 57.134 0.684 11.718 1.00 0.00 N ATOM 380 CA PHE A 24 56.639 1.755 12.557 1.00 0.00 C ATOM 381 C PHE A 24 55.573 2.580 11.832 1.00 0.00 C ATOM 382 O PHE A 24 54.405 2.624 12.237 1.00 0.00 O ATOM 383 CB PHE A 24 57.803 2.684 12.920 1.00 0.00 C ATOM 384 CG PHE A 24 59.105 1.930 13.163 1.00 0.00 C ATOM 385 CD1 PHE A 24 60.292 2.666 13.280 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.150 0.528 13.277 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.506 2.020 13.506 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.372 -0.114 13.499 1.00 0.00 C ATOM 389 CZ PHE A 24 61.548 0.632 13.612 1.00 0.00 C ATOM 0 H PHE A 24 58.076 0.836 11.357 1.00 0.00 H new ATOM 0 HA PHE A 24 56.197 1.312 13.449 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.951 3.406 12.116 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.544 3.251 13.814 1.00 0.00 H new ATOM 0 HD1 PHE A 24 60.266 3.742 13.194 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.242 -0.051 13.193 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.415 2.596 13.599 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.407 -1.190 13.583 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.490 0.132 13.782 1.00 0.00 H new ATOM 399 N GLU A 25 55.986 3.225 10.750 1.00 0.00 N ATOM 400 CA GLU A 25 55.070 4.047 9.973 1.00 0.00 C ATOM 401 C GLU A 25 53.941 3.194 9.440 1.00 0.00 C ATOM 402 O GLU A 25 52.833 3.678 9.216 1.00 0.00 O ATOM 403 CB GLU A 25 55.808 4.717 8.813 1.00 0.00 C ATOM 404 CG GLU A 25 56.722 5.818 9.355 1.00 0.00 C ATOM 405 CD GLU A 25 55.895 7.042 9.737 1.00 0.00 C ATOM 406 OE1 GLU A 25 54.681 6.960 9.657 1.00 0.00 O ATOM 407 OE2 GLU A 25 56.489 8.042 10.103 1.00 0.00 O ATOM 0 H GLU A 25 56.941 3.196 10.393 1.00 0.00 H new ATOM 0 HA GLU A 25 54.660 4.822 10.621 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.395 3.979 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 25 55.092 5.139 8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 25 57.269 5.453 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.463 6.090 8.603 1.00 0.00 H new ATOM 414 N LEU A 26 54.221 1.915 9.257 1.00 0.00 N ATOM 415 CA LEU A 26 53.211 1.005 8.775 1.00 0.00 C ATOM 416 C LEU A 26 52.396 0.513 9.957 1.00 0.00 C ATOM 417 O LEU A 26 51.227 0.162 9.825 1.00 0.00 O ATOM 418 CB LEU A 26 53.865 -0.164 8.032 1.00 0.00 C ATOM 419 CG LEU A 26 52.825 -0.984 7.263 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.317 -2.095 8.160 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.643 -0.117 6.818 1.00 0.00 C ATOM 0 H LEU A 26 55.132 1.492 9.434 1.00 0.00 H new ATOM 0 HA LEU A 26 52.551 1.515 8.073 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.616 0.216 7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.384 -0.806 8.744 1.00 0.00 H new ATOM 0 HG LEU A 26 53.300 -1.393 6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 26 51.575 -2.686 7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.149 -2.736 8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 26 51.861 -1.663 9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.925 -0.732 6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 26 51.160 0.317 7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 26 52.002 0.681 6.168 1.00 0.00 H new ATOM 433 N MET A 27 53.017 0.525 11.127 1.00 0.00 N ATOM 434 CA MET A 27 52.325 0.118 12.333 1.00 0.00 C ATOM 435 C MET A 27 51.062 0.948 12.418 1.00 0.00 C ATOM 436 O MET A 27 50.026 0.494 12.899 1.00 0.00 O ATOM 437 CB MET A 27 53.206 0.324 13.581 1.00 0.00 C ATOM 438 CG MET A 27 52.827 1.614 14.321 1.00 0.00 C ATOM 439 SD MET A 27 51.317 1.338 15.286 1.00 0.00 S ATOM 440 CE MET A 27 51.960 1.872 16.892 1.00 0.00 C ATOM 0 H MET A 27 53.987 0.809 11.263 1.00 0.00 H new ATOM 0 HA MET A 27 52.088 -0.945 12.296 1.00 0.00 H new ATOM 0 HB2 MET A 27 53.097 -0.528 14.251 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.255 0.365 13.286 1.00 0.00 H new ATOM 0 HG2 MET A 27 53.640 1.921 14.979 1.00 0.00 H new ATOM 0 HG3 MET A 27 52.672 2.423 13.607 1.00 0.00 H new ATOM 0 HE1 MET A 27 51.178 1.781 17.646 1.00 0.00 H new ATOM 0 HE2 MET A 27 52.807 1.246 17.171 1.00 0.00 H new ATOM 0 HE3 MET A 27 52.283 2.911 16.827 1.00 0.00 H new ATOM 450 N GLN A 28 51.154 2.173 11.902 1.00 0.00 N ATOM 451 CA GLN A 28 50.001 3.043 11.886 1.00 0.00 C ATOM 452 C GLN A 28 48.964 2.399 10.971 1.00 0.00 C ATOM 453 O GLN A 28 47.785 2.750 10.984 1.00 0.00 O ATOM 454 CB GLN A 28 50.419 4.436 11.391 1.00 0.00 C ATOM 455 CG GLN A 28 49.292 5.095 10.598 1.00 0.00 C ATOM 456 CD GLN A 28 48.041 5.211 11.462 1.00 0.00 C ATOM 457 OE1 GLN A 28 48.137 5.421 12.671 1.00 0.00 O ATOM 458 NE2 GLN A 28 46.865 5.085 10.910 1.00 0.00 N ATOM 0 H GLN A 28 52.002 2.571 11.499 1.00 0.00 H new ATOM 0 HA GLN A 28 49.574 3.172 12.881 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.685 5.063 12.242 1.00 0.00 H new ATOM 0 HB3 GLN A 28 51.308 4.352 10.766 1.00 0.00 H new ATOM 0 HG2 GLN A 28 49.604 6.084 10.261 1.00 0.00 H new ATOM 0 HG3 GLN A 28 49.074 4.509 9.705 1.00 0.00 H new ATOM 0 HE21 GLN A 28 46.788 4.911 9.908 1.00 0.00 H new ATOM 0 HE22 GLN A 28 46.023 5.161 11.481 1.00 0.00 H new ATOM 467 N GLY A 29 49.430 1.412 10.203 1.00 0.00 N ATOM 468 CA GLY A 29 48.559 0.661 9.299 1.00 0.00 C ATOM 469 C GLY A 29 48.143 -0.645 9.965 1.00 0.00 C ATOM 470 O GLY A 29 46.972 -1.025 9.940 1.00 0.00 O ATOM 0 H GLY A 29 50.406 1.115 10.190 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.678 1.252 9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.079 0.455 8.363 1.00 0.00 H new ATOM 474 N PHE A 30 49.110 -1.301 10.603 1.00 0.00 N ATOM 475 CA PHE A 30 48.841 -2.539 11.330 1.00 0.00 C ATOM 476 C PHE A 30 48.881 -2.237 12.818 1.00 0.00 C ATOM 477 O PHE A 30 49.854 -1.667 13.309 1.00 0.00 O ATOM 478 CB PHE A 30 49.897 -3.618 11.071 1.00 0.00 C ATOM 479 CG PHE A 30 50.017 -4.007 9.614 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.914 -4.050 8.752 1.00 0.00 C ATOM 481 CD2 PHE A 30 51.271 -4.375 9.146 1.00 0.00 C ATOM 482 CE1 PHE A 30 49.091 -4.464 7.423 1.00 0.00 C ATOM 483 CE2 PHE A 30 51.455 -4.782 7.826 1.00 0.00 C ATOM 484 CZ PHE A 30 50.366 -4.832 6.960 1.00 0.00 C ATOM 0 H PHE A 30 50.083 -0.997 10.631 1.00 0.00 H new ATOM 0 HA PHE A 30 47.872 -2.907 10.993 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.864 -3.261 11.424 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.651 -4.504 11.656 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.934 -3.767 9.108 1.00 0.00 H new ATOM 0 HD2 PHE A 30 52.118 -4.345 9.816 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.244 -4.500 6.753 1.00 0.00 H new ATOM 0 HE2 PHE A 30 52.439 -5.058 7.476 1.00 0.00 H new ATOM 0 HZ PHE A 30 50.500 -5.152 5.937 1.00 0.00 H new ATOM 494 N ASP A 31 47.862 -2.653 13.550 1.00 0.00 N ATOM 495 CA ASP A 31 47.860 -2.439 14.975 1.00 0.00 C ATOM 496 C ASP A 31 48.546 -3.626 15.584 1.00 0.00 C ATOM 497 O ASP A 31 47.962 -4.702 15.696 1.00 0.00 O ATOM 498 CB ASP A 31 46.433 -2.313 15.504 1.00 0.00 C ATOM 499 CG ASP A 31 46.454 -2.053 17.007 1.00 0.00 C ATOM 500 OD1 ASP A 31 45.558 -1.376 17.483 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.365 -2.535 17.659 1.00 0.00 O ATOM 0 H ASP A 31 47.040 -3.133 13.183 1.00 0.00 H new ATOM 0 HA ASP A 31 48.374 -1.513 15.231 1.00 0.00 H new ATOM 0 HB2 ASP A 31 45.918 -1.500 14.993 1.00 0.00 H new ATOM 0 HB3 ASP A 31 45.876 -3.226 15.292 1.00 0.00 H new ATOM 506 N ALA A 32 49.804 -3.448 15.933 1.00 0.00 N ATOM 507 CA ALA A 32 50.555 -4.525 16.473 1.00 0.00 C ATOM 508 C ALA A 32 51.878 -4.024 16.977 1.00 0.00 C ATOM 509 O ALA A 32 52.442 -3.062 16.456 1.00 0.00 O ATOM 510 CB ALA A 32 50.774 -5.579 15.408 1.00 0.00 C ATOM 0 H ALA A 32 50.311 -2.567 15.847 1.00 0.00 H new ATOM 0 HA ALA A 32 50.003 -4.965 17.304 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.351 -6.404 15.826 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.810 -5.950 15.059 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.319 -5.143 14.571 1.00 0.00 H new ATOM 516 N GLU A 33 52.357 -4.675 18.000 1.00 0.00 N ATOM 517 CA GLU A 33 53.601 -4.310 18.603 1.00 0.00 C ATOM 518 C GLU A 33 54.684 -5.258 18.154 1.00 0.00 C ATOM 519 O GLU A 33 54.921 -6.303 18.759 1.00 0.00 O ATOM 520 CB GLU A 33 53.412 -4.362 20.093 1.00 0.00 C ATOM 521 CG GLU A 33 53.949 -3.080 20.713 1.00 0.00 C ATOM 522 CD GLU A 33 53.938 -3.182 22.234 1.00 0.00 C ATOM 523 OE1 GLU A 33 53.445 -2.262 22.866 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.423 -4.178 22.745 1.00 0.00 O ATOM 0 H GLU A 33 51.894 -5.472 18.436 1.00 0.00 H new ATOM 0 HA GLU A 33 53.904 -3.306 18.306 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.355 -4.481 20.333 1.00 0.00 H new ATOM 0 HB3 GLU A 33 53.932 -5.226 20.507 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.964 -2.896 20.362 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.343 -2.232 20.394 1.00 0.00 H new ATOM 531 N VAL A 34 55.320 -4.876 17.076 1.00 0.00 N ATOM 532 CA VAL A 34 56.380 -5.688 16.503 1.00 0.00 C ATOM 533 C VAL A 34 57.668 -5.501 17.287 1.00 0.00 C ATOM 534 O VAL A 34 58.131 -4.376 17.466 1.00 0.00 O ATOM 535 CB VAL A 34 56.637 -5.301 15.040 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.325 -6.459 14.314 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.324 -4.948 14.341 1.00 0.00 C ATOM 0 H VAL A 34 55.128 -4.010 16.573 1.00 0.00 H new ATOM 0 HA VAL A 34 56.062 -6.729 16.551 1.00 0.00 H new ATOM 0 HB VAL A 34 57.286 -4.426 15.016 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.506 -6.181 13.276 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.274 -6.681 14.801 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.685 -7.341 14.347 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.525 -4.676 13.305 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.655 -5.808 14.367 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.854 -4.108 14.852 1.00 0.00 H new ATOM 547 N LEU A 35 58.251 -6.603 17.753 1.00 0.00 N ATOM 548 CA LEU A 35 59.494 -6.515 18.506 1.00 0.00 C ATOM 549 C LEU A 35 60.610 -7.248 17.760 1.00 0.00 C ATOM 550 O LEU A 35 60.496 -8.432 17.442 1.00 0.00 O ATOM 551 CB LEU A 35 59.290 -7.095 19.913 1.00 0.00 C ATOM 552 CG LEU A 35 60.628 -7.361 20.638 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.311 -8.627 20.090 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.568 -6.157 20.490 1.00 0.00 C ATOM 0 H LEU A 35 57.890 -7.548 17.625 1.00 0.00 H new ATOM 0 HA LEU A 35 59.787 -5.470 18.607 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.690 -6.404 20.505 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.727 -8.026 19.842 1.00 0.00 H new ATOM 0 HG LEU A 35 60.410 -7.515 21.695 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.251 -8.791 20.618 1.00 0.00 H new ATOM 0 HD12 LEU A 35 60.657 -9.486 20.238 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.510 -8.501 19.026 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.506 -6.362 21.007 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.767 -5.979 19.433 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.099 -5.274 20.925 1.00 0.00 H new ATOM 566 N LEU A 36 61.673 -6.513 17.462 1.00 0.00 N ATOM 567 CA LEU A 36 62.819 -7.048 16.728 1.00 0.00 C ATOM 568 C LEU A 36 64.009 -7.304 17.650 1.00 0.00 C ATOM 569 O LEU A 36 64.449 -6.402 18.354 1.00 0.00 O ATOM 570 CB LEU A 36 63.243 -6.019 15.687 1.00 0.00 C ATOM 571 CG LEU A 36 62.352 -6.119 14.455 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.889 -6.000 14.875 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.694 -4.977 13.506 1.00 0.00 C ATOM 0 H LEU A 36 61.768 -5.531 17.720 1.00 0.00 H new ATOM 0 HA LEU A 36 62.523 -7.992 16.271 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.180 -5.016 16.110 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.284 -6.182 15.406 1.00 0.00 H new ATOM 0 HG LEU A 36 62.512 -7.077 13.961 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.251 -6.071 13.994 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.643 -6.805 15.568 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.728 -5.039 15.363 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.062 -5.039 12.620 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.524 -4.024 14.007 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.741 -5.050 13.211 1.00 0.00 H new ATOM 585 N ARG A 37 64.546 -8.523 17.630 1.00 0.00 N ATOM 586 CA ARG A 37 65.692 -8.842 18.451 1.00 0.00 C ATOM 587 C ARG A 37 66.569 -9.876 17.785 1.00 0.00 C ATOM 588 O ARG A 37 66.123 -10.629 16.927 1.00 0.00 O ATOM 589 CB ARG A 37 65.248 -9.392 19.791 1.00 0.00 C ATOM 590 CG ARG A 37 64.388 -10.629 19.576 1.00 0.00 C ATOM 591 CD ARG A 37 63.757 -11.076 20.902 1.00 0.00 C ATOM 592 NE ARG A 37 64.551 -12.142 21.501 1.00 0.00 N ATOM 593 CZ ARG A 37 64.402 -12.475 22.779 1.00 0.00 C ATOM 594 NH1 ARG A 37 65.116 -13.442 23.289 1.00 0.00 N ATOM 595 NH2 ARG A 37 63.545 -11.833 23.526 1.00 0.00 N ATOM 0 H ARG A 37 64.203 -9.294 17.057 1.00 0.00 H new ATOM 0 HA ARG A 37 66.256 -7.920 18.590 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.118 -9.642 20.399 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.685 -8.636 20.337 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.606 -10.415 18.847 1.00 0.00 H new ATOM 0 HG3 ARG A 37 64.995 -11.435 19.164 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.694 -10.230 21.587 1.00 0.00 H new ATOM 0 HD3 ARG A 37 62.738 -11.424 20.730 1.00 0.00 H new ATOM 0 HE ARG A 37 65.233 -12.641 20.929 1.00 0.00 H new ATOM 0 HH11 ARG A 37 65.788 -13.942 22.707 1.00 0.00 H new ATOM 0 HH12 ARG A 37 65.002 -13.698 24.270 1.00 0.00 H new ATOM 0 HH21 ARG A 37 62.989 -11.075 23.129 1.00 0.00 H new ATOM 0 HH22 ARG A 37 63.431 -12.089 24.507 1.00 0.00 H new ATOM 609 N ASN A 38 67.809 -9.933 18.228 1.00 0.00 N ATOM 610 CA ASN A 38 68.745 -10.912 17.708 1.00 0.00 C ATOM 611 C ASN A 38 68.880 -12.051 18.695 1.00 0.00 C ATOM 612 O ASN A 38 69.005 -11.815 19.903 1.00 0.00 O ATOM 613 CB ASN A 38 70.137 -10.329 17.538 1.00 0.00 C ATOM 614 CG ASN A 38 70.140 -9.026 16.786 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.111 -8.568 16.299 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.266 -8.393 16.683 1.00 0.00 N ATOM 0 H ASN A 38 68.192 -9.316 18.944 1.00 0.00 H new ATOM 0 HA ASN A 38 68.358 -11.240 16.743 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.584 -10.176 18.521 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.764 -11.048 17.011 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.306 -7.500 16.191 1.00 0.00 H new ATOM 0 HD22 ASN A 38 72.112 -8.788 17.094 1.00 0.00 H new ATOM 623 N ASP A 39 68.913 -13.275 18.185 1.00 0.00 N ATOM 624 CA ASP A 39 69.086 -14.428 19.060 1.00 0.00 C ATOM 625 C ASP A 39 70.372 -14.252 19.855 1.00 0.00 C ATOM 626 O ASP A 39 70.691 -15.045 20.741 1.00 0.00 O ATOM 627 CB ASP A 39 69.149 -15.722 18.251 1.00 0.00 C ATOM 628 CG ASP A 39 69.407 -16.904 19.181 1.00 0.00 C ATOM 629 OD1 ASP A 39 68.810 -16.938 20.244 1.00 0.00 O ATOM 630 OD2 ASP A 39 70.200 -17.757 18.815 1.00 0.00 O ATOM 0 H ASP A 39 68.825 -13.494 17.193 1.00 0.00 H new ATOM 0 HA ASP A 39 68.233 -14.494 19.735 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.213 -15.870 17.712 1.00 0.00 H new ATOM 0 HB3 ASP A 39 69.940 -15.656 17.504 1.00 0.00 H new ATOM 635 N GLU A 40 71.095 -13.185 19.529 1.00 0.00 N ATOM 636 CA GLU A 40 72.342 -12.866 20.205 1.00 0.00 C ATOM 637 C GLU A 40 72.041 -12.305 21.584 1.00 0.00 C ATOM 638 O GLU A 40 72.899 -12.291 22.468 1.00 0.00 O ATOM 639 CB GLU A 40 73.100 -11.799 19.406 1.00 0.00 C ATOM 640 CG GLU A 40 73.890 -12.443 18.266 1.00 0.00 C ATOM 641 CD GLU A 40 75.018 -13.304 18.827 1.00 0.00 C ATOM 642 OE1 GLU A 40 76.048 -12.746 19.168 1.00 0.00 O ATOM 643 OE2 GLU A 40 74.835 -14.507 18.907 1.00 0.00 O ATOM 0 H GLU A 40 70.834 -12.525 18.796 1.00 0.00 H new ATOM 0 HA GLU A 40 72.943 -13.771 20.289 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.397 -11.071 19.003 1.00 0.00 H new ATOM 0 HB3 GLU A 40 73.778 -11.256 20.065 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.227 -13.054 17.654 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.301 -11.670 17.617 1.00 0.00 H new ATOM 650 N GLY A 41 70.818 -11.817 21.746 1.00 0.00 N ATOM 651 CA GLY A 41 70.398 -11.222 23.002 1.00 0.00 C ATOM 652 C GLY A 41 70.100 -9.748 22.785 1.00 0.00 C ATOM 653 O GLY A 41 69.764 -9.025 23.722 1.00 0.00 O ATOM 0 H GLY A 41 70.101 -11.823 21.021 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.512 -11.732 23.381 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.179 -11.340 23.753 1.00 0.00 H new ATOM 657 N THR A 42 70.211 -9.313 21.529 1.00 0.00 N ATOM 658 CA THR A 42 69.931 -7.915 21.198 1.00 0.00 C ATOM 659 C THR A 42 68.427 -7.739 21.052 1.00 0.00 C ATOM 660 O THR A 42 67.743 -8.652 20.605 1.00 0.00 O ATOM 661 CB THR A 42 70.667 -7.505 19.904 1.00 0.00 C ATOM 662 OG1 THR A 42 71.626 -6.505 20.215 1.00 0.00 O ATOM 663 CG2 THR A 42 69.686 -6.951 18.861 1.00 0.00 C ATOM 0 H THR A 42 70.487 -9.895 20.738 1.00 0.00 H new ATOM 0 HA THR A 42 70.293 -7.267 21.997 1.00 0.00 H new ATOM 0 HB THR A 42 71.153 -8.387 19.487 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.099 -6.240 19.399 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.232 -6.671 17.961 1.00 0.00 H new ATOM 0 HG22 THR A 42 68.948 -7.714 18.615 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.180 -6.075 19.266 1.00 0.00 H new ATOM 671 N GLU A 43 67.909 -6.576 21.438 1.00 0.00 N ATOM 672 CA GLU A 43 66.470 -6.337 21.345 1.00 0.00 C ATOM 673 C GLU A 43 66.165 -4.968 20.754 1.00 0.00 C ATOM 674 O GLU A 43 66.730 -3.957 21.172 1.00 0.00 O ATOM 675 CB GLU A 43 65.834 -6.448 22.733 1.00 0.00 C ATOM 676 CG GLU A 43 66.352 -5.319 23.626 1.00 0.00 C ATOM 677 CD GLU A 43 66.020 -5.615 25.085 1.00 0.00 C ATOM 678 OE1 GLU A 43 66.946 -5.820 25.853 1.00 0.00 O ATOM 679 OE2 GLU A 43 64.845 -5.633 25.413 1.00 0.00 O ATOM 0 H GLU A 43 68.451 -5.797 21.812 1.00 0.00 H new ATOM 0 HA GLU A 43 66.050 -7.093 20.682 1.00 0.00 H new ATOM 0 HB2 GLU A 43 64.748 -6.393 22.652 1.00 0.00 H new ATOM 0 HB3 GLU A 43 66.072 -7.415 23.177 1.00 0.00 H new ATOM 0 HG2 GLU A 43 67.430 -5.213 23.504 1.00 0.00 H new ATOM 0 HG3 GLU A 43 65.903 -4.372 23.327 1.00 0.00 H new ATOM 686 N ALA A 44 65.264 -4.948 19.771 1.00 0.00 N ATOM 687 CA ALA A 44 64.884 -3.705 19.117 1.00 0.00 C ATOM 688 C ALA A 44 63.371 -3.534 19.080 1.00 0.00 C ATOM 689 O ALA A 44 62.648 -4.406 18.603 1.00 0.00 O ATOM 690 CB ALA A 44 65.402 -3.698 17.681 1.00 0.00 C ATOM 0 H ALA A 44 64.788 -5.777 19.415 1.00 0.00 H new ATOM 0 HA ALA A 44 65.320 -2.886 19.689 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.115 -2.765 17.195 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.488 -3.785 17.686 1.00 0.00 H new ATOM 0 HB3 ALA A 44 64.973 -4.538 17.135 1.00 0.00 H new ATOM 696 N GLU A 45 62.904 -2.385 19.543 1.00 0.00 N ATOM 697 CA GLU A 45 61.479 -2.092 19.519 1.00 0.00 C ATOM 698 C GLU A 45 61.109 -1.535 18.153 1.00 0.00 C ATOM 699 O GLU A 45 61.585 -0.467 17.771 1.00 0.00 O ATOM 700 CB GLU A 45 61.143 -1.059 20.601 1.00 0.00 C ATOM 701 CG GLU A 45 59.971 -1.553 21.451 1.00 0.00 C ATOM 702 CD GLU A 45 59.765 -0.624 22.643 1.00 0.00 C ATOM 703 OE1 GLU A 45 58.722 -0.719 23.269 1.00 0.00 O ATOM 704 OE2 GLU A 45 60.653 0.168 22.912 1.00 0.00 O ATOM 0 H GLU A 45 63.485 -1.645 19.937 1.00 0.00 H new ATOM 0 HA GLU A 45 60.916 -3.005 19.711 1.00 0.00 H new ATOM 0 HB2 GLU A 45 62.014 -0.886 21.233 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.891 -0.105 20.138 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.064 -1.591 20.848 1.00 0.00 H new ATOM 0 HG3 GLU A 45 60.165 -2.568 21.799 1.00 0.00 H new ATOM 711 N ALA A 46 60.282 -2.261 17.410 1.00 0.00 N ATOM 712 CA ALA A 46 59.890 -1.808 16.088 1.00 0.00 C ATOM 713 C ALA A 46 59.210 -0.441 16.147 1.00 0.00 C ATOM 714 O ALA A 46 58.162 -0.235 15.535 1.00 0.00 O ATOM 715 CB ALA A 46 58.929 -2.801 15.467 1.00 0.00 C ATOM 0 H ALA A 46 59.877 -3.152 17.697 1.00 0.00 H new ATOM 0 HA ALA A 46 60.794 -1.727 15.485 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.639 -2.455 14.475 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.414 -3.774 15.384 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.042 -2.890 16.094 1.00 0.00 H new ATOM 721 N ASN A 47 59.807 0.485 16.878 1.00 0.00 N ATOM 722 CA ASN A 47 59.257 1.828 17.004 1.00 0.00 C ATOM 723 C ASN A 47 60.393 2.808 17.248 1.00 0.00 C ATOM 724 O ASN A 47 60.173 3.968 17.597 1.00 0.00 O ATOM 725 CB ASN A 47 58.239 1.879 18.157 1.00 0.00 C ATOM 726 CG ASN A 47 58.866 2.483 19.413 1.00 0.00 C ATOM 727 OD1 ASN A 47 60.058 2.104 19.786 1.00 0.00 O flip ATOM 728 ND2 ASN A 47 58.252 3.324 20.070 1.00 0.00 N flip ATOM 0 H ASN A 47 60.673 0.333 17.394 1.00 0.00 H new ATOM 0 HA ASN A 47 58.739 2.101 16.084 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.374 2.470 17.857 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.878 0.873 18.373 1.00 0.00 H new ATOM 0 HD21 ASN A 47 57.321 3.619 19.777 1.00 0.00 H new ATOM 0 HD22 ASN A 47 58.675 3.725 20.907 1.00 0.00 H new ATOM 735 N SER A 48 61.612 2.316 17.063 1.00 0.00 N ATOM 736 CA SER A 48 62.801 3.129 17.263 1.00 0.00 C ATOM 737 C SER A 48 63.859 2.764 16.230 1.00 0.00 C ATOM 738 O SER A 48 64.041 1.592 15.905 1.00 0.00 O ATOM 739 CB SER A 48 63.348 2.893 18.675 1.00 0.00 C ATOM 740 OG SER A 48 63.086 4.038 19.477 1.00 0.00 O ATOM 0 H SER A 48 61.801 1.356 16.774 1.00 0.00 H new ATOM 0 HA SER A 48 62.543 4.181 17.146 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.882 2.012 19.116 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.420 2.700 18.635 1.00 0.00 H new ATOM 0 HG SER A 48 63.433 3.890 20.382 1.00 0.00 H new ATOM 746 N VAL A 49 64.560 3.766 15.720 1.00 0.00 N ATOM 747 CA VAL A 49 65.598 3.511 14.735 1.00 0.00 C ATOM 748 C VAL A 49 66.855 3.033 15.438 1.00 0.00 C ATOM 749 O VAL A 49 67.677 2.327 14.854 1.00 0.00 O ATOM 750 CB VAL A 49 65.870 4.767 13.919 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.843 4.441 12.783 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.543 5.263 13.334 1.00 0.00 C ATOM 0 H VAL A 49 64.432 4.747 15.967 1.00 0.00 H new ATOM 0 HA VAL A 49 65.265 2.733 14.048 1.00 0.00 H new ATOM 0 HB VAL A 49 66.311 5.537 14.552 1.00 0.00 H new ATOM 0 HG11 VAL A 49 67.036 5.341 12.200 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.779 4.071 13.201 1.00 0.00 H new ATOM 0 HG13 VAL A 49 66.407 3.678 12.138 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.719 6.163 12.745 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.115 4.490 12.696 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.850 5.489 14.144 1.00 0.00 H new ATOM 762 N ILE A 50 66.970 3.372 16.718 1.00 0.00 N ATOM 763 CA ILE A 50 68.079 2.928 17.509 1.00 0.00 C ATOM 764 C ILE A 50 68.035 1.414 17.501 1.00 0.00 C ATOM 765 O ILE A 50 69.056 0.731 17.416 1.00 0.00 O ATOM 766 CB ILE A 50 67.888 3.496 18.920 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.109 4.324 19.322 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.647 2.381 19.929 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.320 3.411 19.539 1.00 0.00 C ATOM 0 H ILE A 50 66.299 3.955 17.218 1.00 0.00 H new ATOM 0 HA ILE A 50 69.046 3.261 17.131 1.00 0.00 H new ATOM 0 HB ILE A 50 67.009 4.141 18.914 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.332 5.057 18.547 1.00 0.00 H new ATOM 0 HG13 ILE A 50 68.896 4.880 20.235 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.515 2.811 20.922 1.00 0.00 H new ATOM 0 HG22 ILE A 50 66.751 1.827 19.651 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.503 1.706 19.937 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.183 4.013 19.825 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.099 2.695 20.331 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.541 2.875 18.616 1.00 0.00 H new ATOM 781 N ALA A 51 66.807 0.916 17.558 1.00 0.00 N ATOM 782 CA ALA A 51 66.546 -0.500 17.524 1.00 0.00 C ATOM 783 C ALA A 51 67.122 -1.085 16.241 1.00 0.00 C ATOM 784 O ALA A 51 67.976 -1.968 16.273 1.00 0.00 O ATOM 785 CB ALA A 51 65.026 -0.716 17.572 1.00 0.00 C ATOM 0 H ALA A 51 65.968 1.492 17.629 1.00 0.00 H new ATOM 0 HA ALA A 51 67.011 -0.996 18.376 1.00 0.00 H new ATOM 0 HB1 ALA A 51 64.809 -1.784 17.547 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.626 -0.286 18.490 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.562 -0.232 16.713 1.00 0.00 H new ATOM 791 N LEU A 52 66.648 -0.568 15.115 1.00 0.00 N ATOM 792 CA LEU A 52 67.108 -1.018 13.815 1.00 0.00 C ATOM 793 C LEU A 52 68.624 -0.884 13.710 1.00 0.00 C ATOM 794 O LEU A 52 69.308 -1.796 13.245 1.00 0.00 O ATOM 795 CB LEU A 52 66.439 -0.182 12.722 1.00 0.00 C ATOM 796 CG LEU A 52 64.929 -0.076 12.986 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.300 0.917 11.998 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.266 -1.454 12.823 1.00 0.00 C ATOM 0 H LEU A 52 65.942 0.167 15.080 1.00 0.00 H new ATOM 0 HA LEU A 52 66.842 -2.068 13.689 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.882 0.814 12.693 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.614 -0.637 11.747 1.00 0.00 H new ATOM 0 HG LEU A 52 64.772 0.276 14.005 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.229 0.990 12.188 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.759 1.897 12.126 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.465 0.569 10.978 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.196 -1.368 13.012 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.427 -1.817 11.808 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.705 -2.155 13.533 1.00 0.00 H new ATOM 810 N LEU A 53 69.139 0.260 14.143 1.00 0.00 N ATOM 811 CA LEU A 53 70.575 0.512 14.095 1.00 0.00 C ATOM 812 C LEU A 53 71.338 -0.548 14.890 1.00 0.00 C ATOM 813 O LEU A 53 72.437 -0.954 14.513 1.00 0.00 O ATOM 814 CB LEU A 53 70.862 1.901 14.681 1.00 0.00 C ATOM 815 CG LEU A 53 72.052 2.558 13.964 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.264 1.622 14.003 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.683 2.869 12.504 1.00 0.00 C ATOM 0 H LEU A 53 68.587 1.026 14.530 1.00 0.00 H new ATOM 0 HA LEU A 53 70.906 0.469 13.057 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.979 2.532 14.583 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.076 1.815 15.746 1.00 0.00 H new ATOM 0 HG LEU A 53 72.300 3.489 14.473 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.104 2.093 13.493 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.535 1.421 15.039 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.016 0.685 13.504 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.533 3.334 12.005 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.422 1.944 11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.832 3.549 12.481 1.00 0.00 H new ATOM 829 N MET A 54 70.752 -0.979 15.999 1.00 0.00 N ATOM 830 CA MET A 54 71.386 -1.978 16.856 1.00 0.00 C ATOM 831 C MET A 54 71.552 -3.319 16.139 1.00 0.00 C ATOM 832 O MET A 54 72.596 -3.962 16.250 1.00 0.00 O ATOM 833 CB MET A 54 70.549 -2.181 18.122 1.00 0.00 C ATOM 834 CG MET A 54 71.265 -3.152 19.065 1.00 0.00 C ATOM 835 SD MET A 54 70.661 -2.901 20.754 1.00 0.00 S ATOM 836 CE MET A 54 71.783 -4.055 21.584 1.00 0.00 C ATOM 0 H MET A 54 69.842 -0.655 16.327 1.00 0.00 H new ATOM 0 HA MET A 54 72.378 -1.608 17.116 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.390 -1.225 18.621 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.566 -2.572 17.860 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.086 -4.180 18.751 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.342 -2.989 19.024 1.00 0.00 H new ATOM 0 HE1 MET A 54 71.212 -4.894 21.983 1.00 0.00 H new ATOM 0 HE2 MET A 54 72.519 -4.424 20.870 1.00 0.00 H new ATOM 0 HE3 MET A 54 72.294 -3.543 22.400 1.00 0.00 H new ATOM 846 N LEU A 55 70.517 -3.747 15.420 1.00 0.00 N ATOM 847 CA LEU A 55 70.571 -5.031 14.712 1.00 0.00 C ATOM 848 C LEU A 55 71.192 -4.871 13.328 1.00 0.00 C ATOM 849 O LEU A 55 71.527 -5.858 12.674 1.00 0.00 O ATOM 850 CB LEU A 55 69.168 -5.661 14.587 1.00 0.00 C ATOM 851 CG LEU A 55 68.127 -4.821 15.334 1.00 0.00 C ATOM 852 CD1 LEU A 55 66.724 -5.371 15.056 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.410 -4.884 16.842 1.00 0.00 C ATOM 0 H LEU A 55 69.642 -3.235 15.311 1.00 0.00 H new ATOM 0 HA LEU A 55 71.200 -5.698 15.302 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.892 -5.740 13.535 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.182 -6.674 14.990 1.00 0.00 H new ATOM 0 HG LEU A 55 68.183 -3.787 14.993 1.00 0.00 H new ATOM 0 HD11 LEU A 55 65.986 -4.771 15.589 1.00 0.00 H new ATOM 0 HD12 LEU A 55 66.522 -5.328 13.986 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.665 -6.405 15.395 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.671 -4.287 17.376 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.354 -5.919 17.180 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.407 -4.491 17.042 1.00 0.00 H new ATOM 865 N ASP A 56 71.360 -3.631 12.892 1.00 0.00 N ATOM 866 CA ASP A 56 71.960 -3.373 11.593 1.00 0.00 C ATOM 867 C ASP A 56 73.311 -4.056 11.553 1.00 0.00 C ATOM 868 O ASP A 56 73.740 -4.564 10.517 1.00 0.00 O ATOM 869 CB ASP A 56 72.124 -1.869 11.363 1.00 0.00 C ATOM 870 CG ASP A 56 70.780 -1.249 10.993 1.00 0.00 C ATOM 871 OD1 ASP A 56 70.740 -0.045 10.794 1.00 0.00 O ATOM 872 OD2 ASP A 56 69.812 -1.986 10.912 1.00 0.00 O ATOM 0 H ASP A 56 71.092 -2.796 13.413 1.00 0.00 H new ATOM 0 HA ASP A 56 71.315 -3.762 10.805 1.00 0.00 H new ATOM 0 HB2 ASP A 56 72.517 -1.396 12.263 1.00 0.00 H new ATOM 0 HB3 ASP A 56 72.847 -1.691 10.567 1.00 0.00 H new ATOM 877 N SER A 57 73.959 -4.091 12.711 1.00 0.00 N ATOM 878 CA SER A 57 75.244 -4.748 12.826 1.00 0.00 C ATOM 879 C SER A 57 75.044 -6.240 12.625 1.00 0.00 C ATOM 880 O SER A 57 76.002 -7.011 12.608 1.00 0.00 O ATOM 881 CB SER A 57 75.855 -4.482 14.202 1.00 0.00 C ATOM 882 OG SER A 57 76.203 -3.107 14.303 1.00 0.00 O ATOM 0 H SER A 57 73.614 -3.674 13.575 1.00 0.00 H new ATOM 0 HA SER A 57 75.925 -4.358 12.070 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.145 -4.748 14.985 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.738 -5.104 14.347 1.00 0.00 H new ATOM 0 HG SER A 57 76.594 -2.932 15.185 1.00 0.00 H new ATOM 888 N ALA A 58 73.775 -6.635 12.468 1.00 0.00 N ATOM 889 CA ALA A 58 73.436 -8.046 12.254 1.00 0.00 C ATOM 890 C ALA A 58 74.572 -8.756 11.515 1.00 0.00 C ATOM 891 O ALA A 58 75.394 -9.436 12.122 1.00 0.00 O ATOM 892 CB ALA A 58 72.152 -8.156 11.426 1.00 0.00 C ATOM 0 H ALA A 58 72.973 -6.004 12.485 1.00 0.00 H new ATOM 0 HA ALA A 58 73.286 -8.517 13.225 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.907 -9.207 11.272 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.334 -7.667 11.956 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.299 -7.672 10.460 1.00 0.00 H new ATOM 898 N LYS A 59 74.607 -8.574 10.201 1.00 0.00 N ATOM 899 CA LYS A 59 75.636 -9.177 9.354 1.00 0.00 C ATOM 900 C LYS A 59 76.080 -10.552 9.859 1.00 0.00 C ATOM 901 O LYS A 59 77.192 -10.706 10.364 1.00 0.00 O ATOM 902 CB LYS A 59 76.852 -8.238 9.228 1.00 0.00 C ATOM 903 CG LYS A 59 77.568 -8.060 10.582 1.00 0.00 C ATOM 904 CD LYS A 59 79.040 -8.473 10.459 1.00 0.00 C ATOM 905 CE LYS A 59 79.815 -7.392 9.702 1.00 0.00 C ATOM 906 NZ LYS A 59 81.231 -7.825 9.534 1.00 0.00 N ATOM 0 H LYS A 59 73.928 -8.008 9.692 1.00 0.00 H new ATOM 0 HA LYS A 59 75.190 -9.323 8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.551 -8.642 8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.526 -7.266 8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.500 -7.021 10.904 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.076 -8.663 11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.471 -8.618 11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 59 79.118 -9.425 9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.359 -7.217 8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.774 -6.449 10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.760 -7.092 9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 81.662 -7.971 10.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 81.261 -8.715 8.996 1.00 0.00 H new ATOM 920 N GLY A 60 75.221 -11.563 9.678 1.00 0.00 N ATOM 921 CA GLY A 60 75.566 -12.930 10.084 1.00 0.00 C ATOM 922 C GLY A 60 74.710 -13.450 11.240 1.00 0.00 C ATOM 923 O GLY A 60 74.735 -14.645 11.538 1.00 0.00 O ATOM 0 H GLY A 60 74.296 -11.463 9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 60 75.452 -13.596 9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 60 76.616 -12.961 10.375 1.00 0.00 H new ATOM 927 N ARG A 61 73.966 -12.570 11.900 1.00 0.00 N ATOM 928 CA ARG A 61 73.135 -12.990 13.024 1.00 0.00 C ATOM 929 C ARG A 61 71.748 -13.402 12.562 1.00 0.00 C ATOM 930 O ARG A 61 71.444 -13.396 11.369 1.00 0.00 O ATOM 931 CB ARG A 61 72.997 -11.844 14.027 1.00 0.00 C ATOM 932 CG ARG A 61 74.316 -11.094 14.127 1.00 0.00 C ATOM 933 CD ARG A 61 75.392 -12.015 14.698 1.00 0.00 C ATOM 934 NE ARG A 61 76.591 -11.252 15.023 1.00 0.00 N ATOM 935 CZ ARG A 61 77.541 -11.761 15.800 1.00 0.00 C ATOM 936 NH1 ARG A 61 78.606 -11.059 16.075 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.410 -12.965 16.287 1.00 0.00 N ATOM 0 H ARG A 61 73.920 -11.575 11.681 1.00 0.00 H new ATOM 0 HA ARG A 61 73.620 -13.847 13.492 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.204 -11.166 13.713 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.714 -12.235 15.004 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.616 -10.735 13.143 1.00 0.00 H new ATOM 0 HG3 ARG A 61 74.199 -10.217 14.764 1.00 0.00 H new ATOM 0 HD2 ARG A 61 75.017 -12.514 15.592 1.00 0.00 H new ATOM 0 HD3 ARG A 61 75.634 -12.795 13.976 1.00 0.00 H new ATOM 0 HE ARG A 61 76.703 -10.310 14.647 1.00 0.00 H new ATOM 0 HH11 ARG A 61 78.710 -10.119 15.693 1.00 0.00 H new ATOM 0 HH12 ARG A 61 79.335 -11.450 16.672 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.578 -13.515 16.071 1.00 0.00 H new ATOM 0 HH22 ARG A 61 78.139 -13.356 16.884 1.00 0.00 H new ATOM 951 N GLN A 62 70.904 -13.726 13.532 1.00 0.00 N ATOM 952 CA GLN A 62 69.531 -14.105 13.255 1.00 0.00 C ATOM 953 C GLN A 62 68.632 -13.279 14.152 1.00 0.00 C ATOM 954 O GLN A 62 68.947 -13.052 15.320 1.00 0.00 O ATOM 955 CB GLN A 62 69.317 -15.596 13.515 1.00 0.00 C ATOM 956 CG GLN A 62 69.612 -15.901 14.983 1.00 0.00 C ATOM 957 CD GLN A 62 70.193 -17.305 15.126 1.00 0.00 C ATOM 958 OE1 GLN A 62 71.398 -17.462 15.323 1.00 0.00 O ATOM 959 NE2 GLN A 62 69.403 -18.340 15.038 1.00 0.00 N ATOM 0 H GLN A 62 71.151 -13.733 14.522 1.00 0.00 H new ATOM 0 HA GLN A 62 69.297 -13.919 12.207 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.292 -15.875 13.273 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.969 -16.186 12.871 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.314 -15.168 15.380 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.697 -15.817 15.570 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.405 -18.207 14.875 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.784 -19.282 15.133 1.00 0.00 H new ATOM 968 N ILE A 63 67.538 -12.799 13.599 1.00 0.00 N ATOM 969 CA ILE A 63 66.628 -11.965 14.343 1.00 0.00 C ATOM 970 C ILE A 63 65.393 -12.725 14.745 1.00 0.00 C ATOM 971 O ILE A 63 64.970 -13.656 14.067 1.00 0.00 O ATOM 972 CB ILE A 63 66.236 -10.787 13.469 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.568 -9.712 14.319 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.270 -11.258 12.383 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.640 -8.820 14.944 1.00 0.00 C ATOM 0 H ILE A 63 67.260 -12.975 12.634 1.00 0.00 H new ATOM 0 HA ILE A 63 67.122 -11.625 15.253 1.00 0.00 H new ATOM 0 HB ILE A 63 67.130 -10.370 13.004 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.894 -9.114 13.705 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.963 -10.174 15.099 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.988 -10.413 11.755 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.754 -12.019 11.771 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.378 -11.679 12.847 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.164 -8.051 15.552 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.296 -9.424 15.571 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.226 -8.348 14.155 1.00 0.00 H new ATOM 987 N GLU A 64 64.813 -12.286 15.841 1.00 0.00 N ATOM 988 CA GLU A 64 63.598 -12.875 16.355 1.00 0.00 C ATOM 989 C GLU A 64 62.508 -11.825 16.280 1.00 0.00 C ATOM 990 O GLU A 64 62.515 -10.856 17.039 1.00 0.00 O ATOM 991 CB GLU A 64 63.817 -13.342 17.801 1.00 0.00 C ATOM 992 CG GLU A 64 63.317 -14.777 17.975 1.00 0.00 C ATOM 993 CD GLU A 64 61.800 -14.824 17.830 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.324 -14.630 16.724 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.137 -15.052 18.828 1.00 0.00 O ATOM 0 H GLU A 64 65.171 -11.511 16.400 1.00 0.00 H new ATOM 0 HA GLU A 64 63.309 -13.747 15.768 1.00 0.00 H new ATOM 0 HB2 GLU A 64 64.876 -13.285 18.053 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.290 -12.680 18.488 1.00 0.00 H new ATOM 0 HG2 GLU A 64 63.781 -15.425 17.232 1.00 0.00 H new ATOM 0 HG3 GLU A 64 63.608 -15.156 18.955 1.00 0.00 H new ATOM 1002 N VAL A 65 61.591 -11.990 15.340 1.00 0.00 N ATOM 1003 CA VAL A 65 60.539 -11.023 15.170 1.00 0.00 C ATOM 1004 C VAL A 65 59.343 -11.394 16.012 1.00 0.00 C ATOM 1005 O VAL A 65 58.971 -12.559 16.087 1.00 0.00 O ATOM 1006 CB VAL A 65 60.137 -10.972 13.699 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.731 -12.362 13.208 1.00 0.00 C ATOM 1008 CG2 VAL A 65 58.968 -9.999 13.540 1.00 0.00 C ATOM 0 H VAL A 65 61.560 -12.778 14.693 1.00 0.00 H new ATOM 0 HA VAL A 65 60.899 -10.045 15.489 1.00 0.00 H new ATOM 0 HB VAL A 65 60.985 -10.633 13.103 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.447 -12.308 12.157 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.570 -13.048 13.322 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.886 -12.722 13.794 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.672 -9.954 12.492 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.125 -10.341 14.141 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.272 -9.007 13.874 1.00 0.00 H new ATOM 1018 N GLU A 66 58.731 -10.402 16.637 1.00 0.00 N ATOM 1019 CA GLU A 66 57.553 -10.667 17.441 1.00 0.00 C ATOM 1020 C GLU A 66 56.565 -9.511 17.354 1.00 0.00 C ATOM 1021 O GLU A 66 56.869 -8.407 17.795 1.00 0.00 O ATOM 1022 CB GLU A 66 57.919 -10.903 18.904 1.00 0.00 C ATOM 1023 CG GLU A 66 56.635 -10.911 19.739 1.00 0.00 C ATOM 1024 CD GLU A 66 56.889 -11.575 21.089 1.00 0.00 C ATOM 1025 OE1 GLU A 66 56.175 -12.511 21.410 1.00 0.00 O ATOM 1026 OE2 GLU A 66 57.793 -11.137 21.781 1.00 0.00 O ATOM 0 H GLU A 66 59.023 -9.425 16.605 1.00 0.00 H new ATOM 0 HA GLU A 66 57.090 -11.570 17.043 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.446 -11.851 19.013 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.593 -10.122 19.255 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.283 -9.890 19.888 1.00 0.00 H new ATOM 0 HG3 GLU A 66 55.849 -11.445 19.205 1.00 0.00 H new ATOM 1033 N ALA A 67 55.374 -9.766 16.813 1.00 0.00 N ATOM 1034 CA ALA A 67 54.363 -8.714 16.717 1.00 0.00 C ATOM 1035 C ALA A 67 53.145 -9.087 17.547 1.00 0.00 C ATOM 1036 O ALA A 67 52.873 -10.268 17.763 1.00 0.00 O ATOM 1037 CB ALA A 67 53.980 -8.477 15.256 1.00 0.00 C ATOM 0 H ALA A 67 55.089 -10.672 16.442 1.00 0.00 H new ATOM 0 HA ALA A 67 54.776 -7.786 17.111 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.227 -7.691 15.200 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.863 -8.174 14.693 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.577 -9.397 14.832 1.00 0.00 H new ATOM 1043 N THR A 68 52.430 -8.080 18.049 1.00 0.00 N ATOM 1044 CA THR A 68 51.274 -8.341 18.888 1.00 0.00 C ATOM 1045 C THR A 68 50.201 -7.260 18.741 1.00 0.00 C ATOM 1046 O THR A 68 50.332 -6.160 19.277 1.00 0.00 O ATOM 1047 CB THR A 68 51.719 -8.396 20.347 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.751 -9.359 20.494 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.529 -8.771 21.224 1.00 0.00 C ATOM 0 H THR A 68 52.631 -7.093 17.889 1.00 0.00 H new ATOM 0 HA THR A 68 50.842 -9.291 18.573 1.00 0.00 H new ATOM 0 HB THR A 68 52.098 -7.420 20.651 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.037 -9.392 21.431 1.00 0.00 H new ATOM 0 HG21 THR A 68 50.844 -8.811 22.267 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.744 -8.024 21.111 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.148 -9.747 20.922 1.00 0.00 H new ATOM 1057 N GLY A 69 49.137 -7.598 18.029 1.00 0.00 N ATOM 1058 CA GLY A 69 48.021 -6.686 17.820 1.00 0.00 C ATOM 1059 C GLY A 69 47.158 -7.162 16.656 1.00 0.00 C ATOM 1060 O GLY A 69 47.518 -8.091 15.941 1.00 0.00 O ATOM 0 H GLY A 69 49.022 -8.507 17.581 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.419 -6.624 18.726 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.396 -5.683 17.617 1.00 0.00 H new ATOM 1064 N PRO A 70 46.029 -6.555 16.457 1.00 0.00 N ATOM 1065 CA PRO A 70 45.093 -6.932 15.367 1.00 0.00 C ATOM 1066 C PRO A 70 45.793 -7.411 14.102 1.00 0.00 C ATOM 1067 O PRO A 70 45.455 -8.461 13.556 1.00 0.00 O ATOM 1068 CB PRO A 70 44.350 -5.629 15.120 1.00 0.00 C ATOM 1069 CG PRO A 70 44.238 -5.014 16.477 1.00 0.00 C ATOM 1070 CD PRO A 70 45.504 -5.426 17.243 1.00 0.00 C ATOM 0 HA PRO A 70 44.458 -7.774 15.641 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.896 -4.983 14.433 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.369 -5.806 14.680 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.162 -3.929 16.407 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.342 -5.364 16.990 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.222 -4.608 17.300 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.275 -5.722 18.267 1.00 0.00 H new ATOM 1078 N GLN A 71 46.744 -6.621 13.624 1.00 0.00 N ATOM 1079 CA GLN A 71 47.461 -6.966 12.388 1.00 0.00 C ATOM 1080 C GLN A 71 48.956 -7.208 12.620 1.00 0.00 C ATOM 1081 O GLN A 71 49.794 -6.767 11.834 1.00 0.00 O ATOM 1082 CB GLN A 71 47.270 -5.844 11.367 1.00 0.00 C ATOM 1083 CG GLN A 71 45.866 -5.936 10.754 1.00 0.00 C ATOM 1084 CD GLN A 71 45.390 -4.552 10.320 1.00 0.00 C ATOM 1085 OE1 GLN A 71 44.826 -3.763 11.194 1.00 0.00 O flip ATOM 1086 NE2 GLN A 71 45.535 -4.181 9.155 1.00 0.00 N flip ATOM 0 H GLN A 71 47.040 -5.748 14.060 1.00 0.00 H new ATOM 0 HA GLN A 71 47.042 -7.900 12.014 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.405 -4.875 11.848 1.00 0.00 H new ATOM 0 HB3 GLN A 71 48.025 -5.919 10.584 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.878 -6.610 9.897 1.00 0.00 H new ATOM 0 HG3 GLN A 71 45.171 -6.357 11.480 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.976 -4.799 8.474 1.00 0.00 H new ATOM 0 HE22 GLN A 71 45.214 -3.255 8.871 1.00 0.00 H new ATOM 1095 N GLU A 72 49.279 -7.925 13.685 1.00 0.00 N ATOM 1096 CA GLU A 72 50.671 -8.240 14.001 1.00 0.00 C ATOM 1097 C GLU A 72 51.274 -9.156 12.958 1.00 0.00 C ATOM 1098 O GLU A 72 52.485 -9.168 12.763 1.00 0.00 O ATOM 1099 CB GLU A 72 50.757 -8.913 15.382 1.00 0.00 C ATOM 1100 CG GLU A 72 49.541 -9.828 15.591 1.00 0.00 C ATOM 1101 CD GLU A 72 49.948 -11.144 16.242 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.056 -11.217 16.736 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.143 -12.060 16.235 1.00 0.00 O ATOM 0 H GLU A 72 48.600 -8.301 14.347 1.00 0.00 H new ATOM 0 HA GLU A 72 51.233 -7.306 14.010 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.677 -9.492 15.458 1.00 0.00 H new ATOM 0 HB3 GLU A 72 50.792 -8.155 16.165 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.805 -9.322 16.216 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.062 -10.026 14.632 1.00 0.00 H new ATOM 1110 N GLU A 73 50.435 -9.916 12.289 1.00 0.00 N ATOM 1111 CA GLU A 73 50.925 -10.822 11.270 1.00 0.00 C ATOM 1112 C GLU A 73 51.394 -10.033 10.056 1.00 0.00 C ATOM 1113 O GLU A 73 52.554 -10.116 9.666 1.00 0.00 O ATOM 1114 CB GLU A 73 49.823 -11.805 10.862 1.00 0.00 C ATOM 1115 CG GLU A 73 49.494 -12.737 12.041 1.00 0.00 C ATOM 1116 CD GLU A 73 49.677 -14.197 11.631 1.00 0.00 C ATOM 1117 OE1 GLU A 73 50.688 -14.497 11.018 1.00 0.00 O ATOM 1118 OE2 GLU A 73 48.803 -14.992 11.936 1.00 0.00 O ATOM 0 H GLU A 73 49.425 -9.927 12.428 1.00 0.00 H new ATOM 0 HA GLU A 73 51.766 -11.385 11.675 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.930 -11.259 10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.146 -12.392 10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.141 -12.506 12.887 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.468 -12.570 12.370 1.00 0.00 H new ATOM 1125 N GLU A 74 50.489 -9.254 9.476 1.00 0.00 N ATOM 1126 CA GLU A 74 50.820 -8.443 8.309 1.00 0.00 C ATOM 1127 C GLU A 74 52.076 -7.619 8.571 1.00 0.00 C ATOM 1128 O GLU A 74 52.915 -7.430 7.690 1.00 0.00 O ATOM 1129 CB GLU A 74 49.651 -7.504 8.001 1.00 0.00 C ATOM 1130 CG GLU A 74 48.332 -8.178 8.379 1.00 0.00 C ATOM 1131 CD GLU A 74 47.171 -7.510 7.649 1.00 0.00 C ATOM 1132 OE1 GLU A 74 46.995 -6.316 7.826 1.00 0.00 O ATOM 1133 OE2 GLU A 74 46.475 -8.202 6.925 1.00 0.00 O ATOM 0 H GLU A 74 49.523 -9.166 9.793 1.00 0.00 H new ATOM 0 HA GLU A 74 51.004 -9.102 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.766 -6.572 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.648 -7.247 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 74 48.370 -9.237 8.124 1.00 0.00 H new ATOM 0 HG3 GLU A 74 48.178 -8.115 9.456 1.00 0.00 H new ATOM 1140 N ALA A 75 52.173 -7.124 9.792 1.00 0.00 N ATOM 1141 CA ALA A 75 53.304 -6.296 10.208 1.00 0.00 C ATOM 1142 C ALA A 75 54.584 -7.107 10.274 1.00 0.00 C ATOM 1143 O ALA A 75 55.544 -6.797 9.581 1.00 0.00 O ATOM 1144 CB ALA A 75 52.992 -5.657 11.576 1.00 0.00 C ATOM 0 H ALA A 75 51.478 -7.280 10.523 1.00 0.00 H new ATOM 0 HA ALA A 75 53.455 -5.510 9.468 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.833 -5.039 11.889 1.00 0.00 H new ATOM 0 HB2 ALA A 75 52.098 -5.039 11.493 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.823 -6.441 12.314 1.00 0.00 H new ATOM 1150 N LEU A 76 54.583 -8.148 11.084 1.00 0.00 N ATOM 1151 CA LEU A 76 55.745 -9.011 11.217 1.00 0.00 C ATOM 1152 C LEU A 76 55.975 -9.755 9.906 1.00 0.00 C ATOM 1153 O LEU A 76 57.108 -10.048 9.530 1.00 0.00 O ATOM 1154 CB LEU A 76 55.470 -9.985 12.370 1.00 0.00 C ATOM 1155 CG LEU A 76 56.074 -11.374 12.106 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.119 -12.165 13.425 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.215 -12.145 11.083 1.00 0.00 C ATOM 0 H LEU A 76 53.788 -8.419 11.663 1.00 0.00 H new ATOM 0 HA LEU A 76 56.645 -8.436 11.434 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.883 -9.580 13.294 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.394 -10.079 12.516 1.00 0.00 H new ATOM 0 HG LEU A 76 57.081 -11.253 11.706 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.547 -13.151 13.244 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.734 -11.630 14.149 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.108 -12.275 13.818 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.654 -13.127 10.905 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.204 -12.265 11.473 1.00 0.00 H new ATOM 0 HD23 LEU A 76 55.178 -11.589 10.146 1.00 0.00 H new ATOM 1169 N ALA A 77 54.879 -10.045 9.222 1.00 0.00 N ATOM 1170 CA ALA A 77 54.925 -10.750 7.948 1.00 0.00 C ATOM 1171 C ALA A 77 55.383 -9.819 6.830 1.00 0.00 C ATOM 1172 O ALA A 77 55.836 -10.272 5.778 1.00 0.00 O ATOM 1173 CB ALA A 77 53.526 -11.270 7.620 1.00 0.00 C ATOM 0 H ALA A 77 53.938 -9.801 9.531 1.00 0.00 H new ATOM 0 HA ALA A 77 55.633 -11.575 8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.549 -11.800 6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 77 53.197 -11.950 8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.833 -10.432 7.552 1.00 0.00 H new ATOM 1179 N ALA A 78 55.265 -8.518 7.067 1.00 0.00 N ATOM 1180 CA ALA A 78 55.672 -7.533 6.074 1.00 0.00 C ATOM 1181 C ALA A 78 57.170 -7.294 6.187 1.00 0.00 C ATOM 1182 O ALA A 78 57.863 -7.077 5.189 1.00 0.00 O ATOM 1183 CB ALA A 78 54.902 -6.223 6.287 1.00 0.00 C ATOM 0 H ALA A 78 54.894 -8.123 7.931 1.00 0.00 H new ATOM 0 HA ALA A 78 55.445 -7.906 5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 78 55.213 -5.493 5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.833 -6.410 6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 78 55.113 -5.835 7.284 1.00 0.00 H new ATOM 1189 N VAL A 79 57.670 -7.382 7.412 1.00 0.00 N ATOM 1190 CA VAL A 79 59.088 -7.217 7.655 1.00 0.00 C ATOM 1191 C VAL A 79 59.794 -8.441 7.117 1.00 0.00 C ATOM 1192 O VAL A 79 60.784 -8.347 6.403 1.00 0.00 O ATOM 1193 CB VAL A 79 59.360 -7.084 9.164 1.00 0.00 C ATOM 1194 CG1 VAL A 79 58.052 -6.871 9.907 1.00 0.00 C ATOM 1195 CG2 VAL A 79 60.012 -8.363 9.684 1.00 0.00 C ATOM 0 H VAL A 79 57.114 -7.566 8.247 1.00 0.00 H new ATOM 0 HA VAL A 79 59.450 -6.314 7.162 1.00 0.00 H new ATOM 0 HB VAL A 79 60.022 -6.234 9.328 1.00 0.00 H new ATOM 0 HG11 VAL A 79 58.251 -6.778 10.975 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.573 -5.961 9.546 1.00 0.00 H new ATOM 0 HG13 VAL A 79 57.393 -7.721 9.734 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.203 -8.265 10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 79 59.345 -9.208 9.510 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.953 -8.530 9.161 1.00 0.00 H new ATOM 1205 N ILE A 80 59.254 -9.592 7.484 1.00 0.00 N ATOM 1206 CA ILE A 80 59.794 -10.859 7.064 1.00 0.00 C ATOM 1207 C ILE A 80 60.017 -10.838 5.587 1.00 0.00 C ATOM 1208 O ILE A 80 61.141 -10.964 5.123 1.00 0.00 O ATOM 1209 CB ILE A 80 58.821 -11.948 7.475 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.984 -12.132 8.989 1.00 0.00 C ATOM 1211 CG2 ILE A 80 59.106 -13.250 6.712 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.646 -13.469 9.299 1.00 0.00 C ATOM 0 H ILE A 80 58.430 -9.666 8.081 1.00 0.00 H new ATOM 0 HA ILE A 80 60.756 -11.055 7.537 1.00 0.00 H new ATOM 0 HB ILE A 80 57.794 -11.673 7.234 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.585 -11.319 9.397 1.00 0.00 H new ATOM 0 HG13 ILE A 80 58.009 -12.082 9.474 1.00 0.00 H new ATOM 0 HG21 ILE A 80 58.396 -14.017 7.023 1.00 0.00 H new ATOM 0 HG22 ILE A 80 59.004 -13.074 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 80 60.120 -13.585 6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.753 -13.581 10.378 1.00 0.00 H new ATOM 0 HD12 ILE A 80 59.030 -14.279 8.910 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.630 -13.505 8.831 1.00 0.00 H new ATOM 1224 N ALA A 81 58.961 -10.622 4.843 1.00 0.00 N ATOM 1225 CA ALA A 81 59.124 -10.533 3.415 1.00 0.00 C ATOM 1226 C ALA A 81 60.290 -9.610 3.148 1.00 0.00 C ATOM 1227 O ALA A 81 60.939 -9.689 2.105 1.00 0.00 O ATOM 1228 CB ALA A 81 57.875 -9.972 2.760 1.00 0.00 C ATOM 0 H ALA A 81 58.008 -10.508 5.188 1.00 0.00 H new ATOM 0 HA ALA A 81 59.302 -11.525 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 81 58.024 -9.915 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 81 57.028 -10.623 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.675 -8.975 3.152 1.00 0.00 H new ATOM 1234 N LEU A 82 60.578 -8.750 4.131 1.00 0.00 N ATOM 1235 CA LEU A 82 61.694 -7.851 4.009 1.00 0.00 C ATOM 1236 C LEU A 82 62.918 -8.508 4.625 1.00 0.00 C ATOM 1237 O LEU A 82 64.008 -8.480 4.053 1.00 0.00 O ATOM 1238 CB LEU A 82 61.370 -6.530 4.703 1.00 0.00 C ATOM 1239 CG LEU A 82 61.633 -5.373 3.736 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.062 -5.476 3.172 1.00 0.00 C ATOM 1241 CD2 LEU A 82 60.609 -5.437 2.588 1.00 0.00 C ATOM 0 H LEU A 82 60.053 -8.669 5.002 1.00 0.00 H new ATOM 0 HA LEU A 82 61.897 -7.637 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 82 60.329 -6.521 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.981 -6.417 5.598 1.00 0.00 H new ATOM 0 HG LEU A 82 61.533 -4.424 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.242 -4.650 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.780 -5.431 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.176 -6.421 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 82 60.789 -4.616 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 82 60.711 -6.386 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.601 -5.354 2.994 1.00 0.00 H new ATOM 1253 N PHE A 83 62.719 -9.129 5.784 1.00 0.00 N ATOM 1254 CA PHE A 83 63.804 -9.819 6.442 1.00 0.00 C ATOM 1255 C PHE A 83 64.218 -10.980 5.563 1.00 0.00 C ATOM 1256 O PHE A 83 65.399 -11.303 5.432 1.00 0.00 O ATOM 1257 CB PHE A 83 63.383 -10.317 7.817 1.00 0.00 C ATOM 1258 CG PHE A 83 63.335 -9.179 8.814 1.00 0.00 C ATOM 1259 CD1 PHE A 83 63.259 -7.837 8.394 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.368 -9.475 10.180 1.00 0.00 C ATOM 1261 CE1 PHE A 83 63.219 -6.815 9.343 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.325 -8.451 11.121 1.00 0.00 C ATOM 1263 CZ PHE A 83 63.252 -7.125 10.703 1.00 0.00 C ATOM 0 H PHE A 83 61.826 -9.164 6.275 1.00 0.00 H new ATOM 0 HA PHE A 83 64.640 -9.136 6.589 1.00 0.00 H new ATOM 0 HB2 PHE A 83 62.403 -10.790 7.752 1.00 0.00 H new ATOM 0 HB3 PHE A 83 64.083 -11.078 8.162 1.00 0.00 H new ATOM 0 HD1 PHE A 83 63.232 -7.600 7.341 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.427 -10.503 10.506 1.00 0.00 H new ATOM 0 HE1 PHE A 83 63.163 -5.784 9.025 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.348 -8.685 12.175 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.221 -6.332 11.435 1.00 0.00 H new ATOM 1273 N ASN A 84 63.216 -11.563 4.924 1.00 0.00 N ATOM 1274 CA ASN A 84 63.425 -12.651 3.999 1.00 0.00 C ATOM 1275 C ASN A 84 63.905 -12.056 2.702 1.00 0.00 C ATOM 1276 O ASN A 84 64.450 -12.728 1.826 1.00 0.00 O ATOM 1277 CB ASN A 84 62.102 -13.385 3.778 1.00 0.00 C ATOM 1278 CG ASN A 84 62.323 -14.894 3.731 1.00 0.00 C ATOM 1279 OD1 ASN A 84 63.124 -15.381 2.933 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.656 -15.666 4.546 1.00 0.00 N ATOM 0 H ASN A 84 62.239 -11.292 5.036 1.00 0.00 H new ATOM 0 HA ASN A 84 64.157 -13.360 4.386 1.00 0.00 H new ATOM 0 HB2 ASN A 84 61.406 -13.139 4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.646 -13.050 2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.798 -16.676 4.523 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.993 -15.259 5.206 1.00 0.00 H new ATOM 1287 N SER A 85 63.677 -10.767 2.621 1.00 0.00 N ATOM 1288 CA SER A 85 64.061 -9.986 1.451 1.00 0.00 C ATOM 1289 C SER A 85 63.663 -10.709 0.168 1.00 0.00 C ATOM 1290 O SER A 85 62.518 -10.577 -0.232 1.00 0.00 O ATOM 1291 CB SER A 85 65.571 -9.746 1.458 1.00 0.00 C ATOM 1292 OG SER A 85 65.946 -9.073 0.263 1.00 0.00 O ATOM 1293 OXT SER A 85 64.509 -11.384 -0.395 1.00 0.00 O ATOM 0 H SER A 85 63.223 -10.225 3.356 1.00 0.00 H new ATOM 0 HA SER A 85 63.541 -9.029 1.489 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.852 -9.151 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 85 66.101 -10.695 1.536 1.00 0.00 H new ATOM 0 HG SER A 85 66.913 -8.916 0.266 1.00 0.00 H new TER 1299 SER A 85