USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 729 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 MET CE :methyl -102:sc= -4.79! (180deg=-4.25!) USER MOD Set 1.2: A 40 ASN : amide:sc=-0.00793 K(o=-4.8,f=-5.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 164:sc= -0.0618 (180deg=-0.43) USER MOD Single : A 6 HIS : no HE2:sc= 0.269 K(o=0.27,f=-4.8!) USER MOD Single : A 7 MET CE :methyl 162:sc= -0.19 (180deg=-0.817) USER MOD Single : A 15 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-0.62) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.11) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.34) USER MOD Single : A 35 GLN : amide:sc= -3.17 K(o=-3.2,f=-5.4!) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= -0.0416 (180deg=-0.274) USER MOD Single : A 42 THR OG1 : rot 57:sc= 0.0769 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= 0.642 (180deg=0.426) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.715 K(o=-0.71,f=-1.9) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= -0.0135 (180deg=-0.112) USER MOD Single : A 65 ASN : amide:sc= -3.46 K(o=-3.5,f=-0.56) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.0584 (180deg=-0.266) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 167:sc= -0.0113 (180deg=-0.124) USER MOD Single : A 79 LYS NZ :NH3+ 170:sc= -0.0192 (180deg=-0.185) USER MOD Single : A 80 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.64) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= 0.343 K(o=0.34,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.318 -8.938 -17.572 1.00 0.00 N ATOM 2 CA GLY A 1 -2.470 -8.574 -16.144 1.00 0.00 C ATOM 3 C GLY A 1 -3.527 -9.407 -15.450 1.00 0.00 C ATOM 4 O GLY A 1 -3.219 -10.459 -14.892 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.584 -8.342 -18.006 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.042 -9.938 -17.648 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.221 -8.790 -18.066 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.515 -8.704 -15.634 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.732 -7.519 -16.066 1.00 0.00 H new ATOM 10 N SER A 2 -4.776 -8.954 -15.511 1.00 0.00 N ATOM 11 CA SER A 2 -5.875 -9.603 -14.797 1.00 0.00 C ATOM 12 C SER A 2 -6.034 -11.070 -15.203 1.00 0.00 C ATOM 13 O SER A 2 -6.263 -11.934 -14.356 1.00 0.00 O ATOM 14 CB SER A 2 -7.176 -8.841 -15.050 1.00 0.00 C ATOM 15 OG SER A 2 -7.033 -7.468 -14.715 1.00 0.00 O ATOM 0 H SER A 2 -5.055 -8.135 -16.051 1.00 0.00 H new ATOM 0 HA SER A 2 -5.639 -9.584 -13.733 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.460 -8.936 -16.098 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.980 -9.281 -14.461 1.00 0.00 H new ATOM 0 HG SER A 2 -7.877 -7.000 -14.886 1.00 0.00 H new ATOM 21 N ALA A 3 -5.905 -11.351 -16.491 1.00 0.00 N ATOM 22 CA ALA A 3 -6.051 -12.709 -16.986 1.00 0.00 C ATOM 23 C ALA A 3 -4.742 -13.478 -16.856 1.00 0.00 C ATOM 24 O ALA A 3 -3.711 -13.050 -17.385 1.00 0.00 O ATOM 25 CB ALA A 3 -6.525 -12.707 -18.432 1.00 0.00 C ATOM 0 H ALA A 3 -5.700 -10.657 -17.210 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.804 -13.210 -16.377 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.628 -13.734 -18.783 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.489 -12.203 -18.498 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.798 -12.183 -19.052 1.00 0.00 H new ATOM 31 N MET A 4 -4.798 -14.596 -16.128 1.00 0.00 N ATOM 32 CA MET A 4 -3.657 -15.501 -15.937 1.00 0.00 C ATOM 33 C MET A 4 -2.616 -14.926 -14.978 1.00 0.00 C ATOM 34 O MET A 4 -2.320 -15.537 -13.959 1.00 0.00 O ATOM 35 CB MET A 4 -3.001 -15.869 -17.276 1.00 0.00 C ATOM 36 CG MET A 4 -1.772 -16.760 -17.133 1.00 0.00 C ATOM 37 SD MET A 4 -2.121 -18.320 -16.292 1.00 0.00 S ATOM 38 CE MET A 4 -3.312 -19.055 -17.410 1.00 0.00 C ATOM 0 H MET A 4 -5.644 -14.903 -15.649 1.00 0.00 H new ATOM 0 HA MET A 4 -4.057 -16.409 -15.486 1.00 0.00 H new ATOM 0 HB2 MET A 4 -3.735 -16.376 -17.903 1.00 0.00 H new ATOM 0 HB3 MET A 4 -2.717 -14.953 -17.795 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.366 -16.971 -18.123 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.002 -16.221 -16.581 1.00 0.00 H new ATOM 0 HE1 MET A 4 -3.409 -20.118 -17.191 1.00 0.00 H new ATOM 0 HE2 MET A 4 -4.279 -18.568 -17.283 1.00 0.00 H new ATOM 0 HE3 MET A 4 -2.974 -18.926 -18.438 1.00 0.00 H new ATOM 48 N GLY A 5 -2.080 -13.754 -15.300 1.00 0.00 N ATOM 49 CA GLY A 5 -0.996 -13.181 -14.517 1.00 0.00 C ATOM 50 C GLY A 5 -1.392 -12.852 -13.092 1.00 0.00 C ATOM 51 O GLY A 5 -0.642 -13.131 -12.152 1.00 0.00 O ATOM 0 H GLY A 5 -2.378 -13.186 -16.093 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -0.160 -13.880 -14.502 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.644 -12.273 -15.007 1.00 0.00 H new ATOM 55 N HIS A 6 -2.568 -12.262 -12.929 1.00 0.00 N ATOM 56 CA HIS A 6 -3.062 -11.874 -11.615 1.00 0.00 C ATOM 57 C HIS A 6 -3.591 -13.099 -10.865 1.00 0.00 C ATOM 58 O HIS A 6 -4.788 -13.217 -10.599 1.00 0.00 O ATOM 59 CB HIS A 6 -4.152 -10.802 -11.764 1.00 0.00 C ATOM 60 CG HIS A 6 -4.609 -10.193 -10.471 1.00 0.00 C ATOM 61 ND1 HIS A 6 -3.928 -9.181 -9.828 1.00 0.00 N ATOM 62 CD2 HIS A 6 -5.697 -10.452 -9.707 1.00 0.00 C ATOM 63 CE1 HIS A 6 -4.577 -8.850 -8.728 1.00 0.00 C ATOM 64 NE2 HIS A 6 -5.654 -9.603 -8.632 1.00 0.00 N ATOM 0 H HIS A 6 -3.202 -12.040 -13.697 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.243 -11.452 -11.033 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.778 -10.009 -12.412 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.012 -11.244 -12.266 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -3.059 -8.755 -10.152 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.458 -11.191 -9.908 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.276 -8.089 -8.024 1.00 0.00 H new ATOM 73 N MET A 7 -2.686 -14.010 -10.547 1.00 0.00 N ATOM 74 CA MET A 7 -3.017 -15.205 -9.779 1.00 0.00 C ATOM 75 C MET A 7 -1.742 -15.861 -9.234 1.00 0.00 C ATOM 76 O MET A 7 -1.607 -16.006 -8.021 1.00 0.00 O ATOM 77 CB MET A 7 -3.849 -16.186 -10.620 1.00 0.00 C ATOM 78 CG MET A 7 -4.235 -17.459 -9.883 1.00 0.00 C ATOM 79 SD MET A 7 -5.318 -18.521 -10.862 1.00 0.00 S ATOM 80 CE MET A 7 -4.308 -18.786 -12.319 1.00 0.00 C ATOM 0 H MET A 7 -1.703 -13.945 -10.812 1.00 0.00 H new ATOM 0 HA MET A 7 -3.630 -14.912 -8.927 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.756 -15.683 -10.955 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.284 -16.453 -11.513 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.333 -18.010 -9.619 1.00 0.00 H new ATOM 0 HG3 MET A 7 -4.734 -17.198 -8.950 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.678 -19.654 -12.865 1.00 0.00 H new ATOM 0 HE2 MET A 7 -4.357 -17.906 -12.960 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.275 -18.960 -12.019 1.00 0.00 H new ATOM 90 N PRO A 8 -0.775 -16.261 -10.097 1.00 0.00 N ATOM 91 CA PRO A 8 0.534 -16.719 -9.625 1.00 0.00 C ATOM 92 C PRO A 8 1.327 -15.565 -9.032 1.00 0.00 C ATOM 93 O PRO A 8 2.036 -15.719 -8.039 1.00 0.00 O ATOM 94 CB PRO A 8 1.219 -17.247 -10.888 1.00 0.00 C ATOM 95 CG PRO A 8 0.552 -16.526 -12.005 1.00 0.00 C ATOM 96 CD PRO A 8 -0.871 -16.334 -11.569 1.00 0.00 C ATOM 0 HA PRO A 8 0.456 -17.472 -8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.290 -17.047 -10.871 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.097 -18.326 -10.984 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.036 -15.568 -12.197 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.604 -17.101 -12.929 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.300 -15.424 -11.989 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.504 -17.162 -11.889 1.00 0.00 H new ATOM 104 N ALA A 9 1.196 -14.403 -9.659 1.00 0.00 N ATOM 105 CA ALA A 9 1.791 -13.185 -9.156 1.00 0.00 C ATOM 106 C ALA A 9 0.691 -12.253 -8.677 1.00 0.00 C ATOM 107 O ALA A 9 -0.151 -11.811 -9.463 1.00 0.00 O ATOM 108 CB ALA A 9 2.635 -12.515 -10.229 1.00 0.00 C ATOM 0 H ALA A 9 0.675 -14.285 -10.528 1.00 0.00 H new ATOM 0 HA ALA A 9 2.448 -13.425 -8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.073 -11.601 -9.829 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.430 -13.192 -10.542 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.007 -12.272 -11.086 1.00 0.00 H new ATOM 114 N VAL A 10 0.684 -11.980 -7.388 1.00 0.00 N ATOM 115 CA VAL A 10 -0.347 -11.153 -6.794 1.00 0.00 C ATOM 116 C VAL A 10 0.091 -9.698 -6.779 1.00 0.00 C ATOM 117 O VAL A 10 1.106 -9.352 -6.177 1.00 0.00 O ATOM 118 CB VAL A 10 -0.672 -11.606 -5.352 1.00 0.00 C ATOM 119 CG1 VAL A 10 -1.790 -10.765 -4.751 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.038 -13.081 -5.328 1.00 0.00 C ATOM 0 H VAL A 10 1.384 -12.321 -6.729 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.246 -11.260 -7.401 1.00 0.00 H new ATOM 0 HB VAL A 10 0.220 -11.460 -4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.997 -11.106 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.485 -9.719 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.689 -10.867 -5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.264 -13.383 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.912 -13.249 -5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.201 -13.670 -5.704 1.00 0.00 H new ATOM 130 N ASP A 11 -0.665 -8.854 -7.459 1.00 0.00 N ATOM 131 CA ASP A 11 -0.401 -7.427 -7.459 1.00 0.00 C ATOM 132 C ASP A 11 -1.640 -6.678 -6.983 1.00 0.00 C ATOM 133 O ASP A 11 -2.722 -6.790 -7.565 1.00 0.00 O ATOM 134 CB ASP A 11 0.049 -6.942 -8.848 1.00 0.00 C ATOM 135 CG ASP A 11 -1.060 -6.944 -9.887 1.00 0.00 C ATOM 136 OD1 ASP A 11 -1.558 -8.037 -10.242 1.00 0.00 O ATOM 137 OD2 ASP A 11 -1.424 -5.849 -10.369 1.00 0.00 O ATOM 0 H ASP A 11 -1.469 -9.134 -8.020 1.00 0.00 H new ATOM 0 HA ASP A 11 0.418 -7.221 -6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.448 -5.932 -8.758 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.863 -7.576 -9.198 1.00 0.00 H new ATOM 142 N VAL A 12 -1.490 -5.953 -5.897 1.00 0.00 N ATOM 143 CA VAL A 12 -2.604 -5.231 -5.304 1.00 0.00 C ATOM 144 C VAL A 12 -2.293 -3.743 -5.252 1.00 0.00 C ATOM 145 O VAL A 12 -1.268 -3.341 -4.709 1.00 0.00 O ATOM 146 CB VAL A 12 -2.910 -5.757 -3.887 1.00 0.00 C ATOM 147 CG1 VAL A 12 -4.017 -4.953 -3.237 1.00 0.00 C ATOM 148 CG2 VAL A 12 -3.280 -7.233 -3.932 1.00 0.00 C ATOM 0 H VAL A 12 -0.605 -5.845 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.485 -5.391 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.009 -5.644 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.213 -5.345 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.713 -3.909 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.922 -5.026 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.492 -7.586 -2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.163 -7.368 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.450 -7.804 -4.349 1.00 0.00 H new ATOM 158 N GLU A 13 -3.173 -2.932 -5.814 1.00 0.00 N ATOM 159 CA GLU A 13 -2.920 -1.509 -5.933 1.00 0.00 C ATOM 160 C GLU A 13 -3.748 -0.715 -4.931 1.00 0.00 C ATOM 161 O GLU A 13 -4.975 -0.660 -5.012 1.00 0.00 O ATOM 162 CB GLU A 13 -3.180 -1.011 -7.367 1.00 0.00 C ATOM 163 CG GLU A 13 -4.581 -1.286 -7.909 1.00 0.00 C ATOM 164 CD GLU A 13 -4.825 -2.749 -8.222 1.00 0.00 C ATOM 165 OE1 GLU A 13 -4.449 -3.195 -9.323 1.00 0.00 O ATOM 166 OE2 GLU A 13 -5.395 -3.457 -7.367 1.00 0.00 O ATOM 0 H GLU A 13 -4.069 -3.236 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.866 -1.347 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.000 0.064 -7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.453 -1.476 -8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.318 -0.950 -7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.736 -0.697 -8.813 1.00 0.00 H new ATOM 173 N ILE A 14 -3.063 -0.105 -3.979 1.00 0.00 N ATOM 174 CA ILE A 14 -3.715 0.745 -3.001 1.00 0.00 C ATOM 175 C ILE A 14 -3.493 2.201 -3.396 1.00 0.00 C ATOM 176 O ILE A 14 -2.362 2.607 -3.660 1.00 0.00 O ATOM 177 CB ILE A 14 -3.169 0.516 -1.568 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.855 -0.972 -1.319 1.00 0.00 C ATOM 179 CG2 ILE A 14 -4.184 1.015 -0.557 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.292 -1.272 0.064 1.00 0.00 C ATOM 0 H ILE A 14 -2.053 -0.184 -3.863 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.776 0.497 -2.991 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.238 1.073 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.767 -1.552 -1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.142 -1.311 -2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.802 0.855 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.361 2.079 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.120 0.470 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.100 -2.341 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.361 -0.723 0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.012 -0.967 0.824 1.00 0.00 H new ATOM 192 N HIS A 15 -4.561 2.978 -3.478 1.00 0.00 N ATOM 193 CA HIS A 15 -4.445 4.366 -3.907 1.00 0.00 C ATOM 194 C HIS A 15 -4.560 5.315 -2.734 1.00 0.00 C ATOM 195 O HIS A 15 -5.636 5.516 -2.204 1.00 0.00 O ATOM 196 CB HIS A 15 -5.526 4.690 -4.939 1.00 0.00 C ATOM 197 CG HIS A 15 -5.380 3.947 -6.229 1.00 0.00 C ATOM 198 ND1 HIS A 15 -5.940 2.707 -6.456 1.00 0.00 N ATOM 199 CD2 HIS A 15 -4.744 4.283 -7.374 1.00 0.00 C ATOM 200 CE1 HIS A 15 -5.652 2.315 -7.682 1.00 0.00 C ATOM 201 NE2 HIS A 15 -4.926 3.254 -8.262 1.00 0.00 N ATOM 0 H HIS A 15 -5.510 2.677 -3.256 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.461 4.495 -4.357 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.502 4.464 -4.510 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.508 5.760 -5.144 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.194 5.194 -7.556 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.958 1.384 -8.135 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.561 3.219 -9.214 1.00 0.00 H new ATOM 210 N PHE A 16 -3.455 5.943 -2.380 1.00 0.00 N ATOM 211 CA PHE A 16 -3.429 6.870 -1.262 1.00 0.00 C ATOM 212 C PHE A 16 -3.323 8.299 -1.769 1.00 0.00 C ATOM 213 O PHE A 16 -2.348 8.655 -2.427 1.00 0.00 O ATOM 214 CB PHE A 16 -2.246 6.576 -0.329 1.00 0.00 C ATOM 215 CG PHE A 16 -2.342 5.284 0.437 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.568 4.743 0.779 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.192 4.617 0.827 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.647 3.563 1.491 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.264 3.438 1.540 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.494 2.909 1.873 1.00 0.00 C ATOM 0 H PHE A 16 -2.558 5.828 -2.853 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.357 6.745 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.331 6.562 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.152 7.396 0.383 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.475 5.250 0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.226 5.026 0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.612 3.152 1.749 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.359 2.930 1.837 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.554 1.986 2.431 1.00 0.00 H new ATOM 230 N PRO A 17 -4.330 9.137 -1.492 1.00 0.00 N ATOM 231 CA PRO A 17 -4.281 10.553 -1.848 1.00 0.00 C ATOM 232 C PRO A 17 -3.101 11.242 -1.180 1.00 0.00 C ATOM 233 O PRO A 17 -2.995 11.266 0.049 1.00 0.00 O ATOM 234 CB PRO A 17 -5.603 11.113 -1.318 1.00 0.00 C ATOM 235 CG PRO A 17 -6.492 9.927 -1.181 1.00 0.00 C ATOM 236 CD PRO A 17 -5.588 8.780 -0.821 1.00 0.00 C ATOM 0 HA PRO A 17 -4.154 10.710 -2.919 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.464 11.616 -0.361 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.025 11.846 -2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.245 10.089 -0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.026 9.728 -2.110 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.460 8.689 0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.981 7.828 -1.177 1.00 0.00 H new ATOM 244 N LEU A 18 -2.229 11.800 -2.018 1.00 0.00 N ATOM 245 CA LEU A 18 -0.975 12.420 -1.592 1.00 0.00 C ATOM 246 C LEU A 18 -1.217 13.419 -0.463 1.00 0.00 C ATOM 247 O LEU A 18 -0.418 13.536 0.461 1.00 0.00 O ATOM 248 CB LEU A 18 -0.334 13.124 -2.802 1.00 0.00 C ATOM 249 CG LEU A 18 1.198 13.248 -2.799 1.00 0.00 C ATOM 250 CD1 LEU A 18 1.690 13.713 -4.159 1.00 0.00 C ATOM 251 CD2 LEU A 18 1.679 14.211 -1.724 1.00 0.00 C ATOM 0 H LEU A 18 -2.376 11.835 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.303 11.650 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.630 12.587 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.756 14.126 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 18 1.608 12.262 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.777 13.797 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.392 12.991 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.254 14.685 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.767 14.273 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.254 15.199 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.361 13.852 -0.745 1.00 0.00 H new ATOM 263 N LYS A 19 -2.342 14.112 -0.541 1.00 0.00 N ATOM 264 CA LYS A 19 -2.693 15.139 0.428 1.00 0.00 C ATOM 265 C LYS A 19 -3.086 14.545 1.782 1.00 0.00 C ATOM 266 O LYS A 19 -2.829 15.148 2.824 1.00 0.00 O ATOM 267 CB LYS A 19 -3.843 15.993 -0.120 1.00 0.00 C ATOM 268 CG LYS A 19 -5.069 15.179 -0.518 1.00 0.00 C ATOM 269 CD LYS A 19 -6.202 16.049 -1.049 1.00 0.00 C ATOM 270 CE LYS A 19 -5.839 16.718 -2.352 1.00 0.00 C ATOM 271 NZ LYS A 19 -6.940 17.569 -2.872 1.00 0.00 N ATOM 0 H LYS A 19 -3.036 13.979 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.810 15.758 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.132 16.726 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.490 16.551 -0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.786 14.452 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.422 14.615 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.093 15.437 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.453 16.809 -0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.947 17.328 -2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.590 15.957 -3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.628 18.048 -3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.768 16.976 -3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.196 18.280 -2.158 1.00 0.00 H new ATOM 285 N ARG A 20 -3.698 13.363 1.770 1.00 0.00 N ATOM 286 CA ARG A 20 -4.235 12.782 3.001 1.00 0.00 C ATOM 287 C ARG A 20 -3.242 11.865 3.681 1.00 0.00 C ATOM 288 O ARG A 20 -3.116 11.872 4.904 1.00 0.00 O ATOM 289 CB ARG A 20 -5.497 11.976 2.713 1.00 0.00 C ATOM 290 CG ARG A 20 -6.679 12.792 2.235 1.00 0.00 C ATOM 291 CD ARG A 20 -7.167 13.774 3.289 1.00 0.00 C ATOM 292 NE ARG A 20 -6.230 14.865 3.557 1.00 0.00 N ATOM 293 CZ ARG A 20 -5.799 15.192 4.776 1.00 0.00 C ATOM 294 NH1 ARG A 20 -6.166 14.471 5.832 1.00 0.00 N ATOM 295 NH2 ARG A 20 -5.001 16.240 4.937 1.00 0.00 N ATOM 0 H ARG A 20 -3.834 12.794 0.934 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.457 13.620 3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.266 11.223 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.785 11.443 3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.400 13.338 1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.494 12.121 1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.119 14.196 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.356 13.233 4.216 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.886 15.408 2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.779 13.665 5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.834 14.724 6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.718 16.794 4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.671 16.491 5.869 1.00 0.00 H new ATOM 309 N ILE A 21 -2.513 11.099 2.889 1.00 0.00 N ATOM 310 CA ILE A 21 -1.586 10.133 3.446 1.00 0.00 C ATOM 311 C ILE A 21 -0.384 10.859 4.038 1.00 0.00 C ATOM 312 O ILE A 21 0.306 10.342 4.909 1.00 0.00 O ATOM 313 CB ILE A 21 -1.125 9.103 2.384 1.00 0.00 C ATOM 314 CG1 ILE A 21 -0.159 8.073 2.984 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.473 9.805 1.202 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.736 7.293 4.144 1.00 0.00 C ATOM 0 H ILE A 21 -2.544 11.126 1.870 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.102 9.581 4.232 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.011 8.573 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.142 7.374 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.743 8.587 3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.157 9.064 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.189 10.487 0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.395 10.368 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.007 6.586 4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.011 7.981 4.944 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.621 6.749 3.813 1.00 0.00 H new ATOM 328 N ALA A 22 -0.164 12.081 3.565 1.00 0.00 N ATOM 329 CA ALA A 22 0.917 12.918 4.057 1.00 0.00 C ATOM 330 C ALA A 22 0.640 13.379 5.484 1.00 0.00 C ATOM 331 O ALA A 22 1.566 13.633 6.259 1.00 0.00 O ATOM 332 CB ALA A 22 1.099 14.117 3.144 1.00 0.00 C ATOM 0 H ALA A 22 -0.728 12.515 2.834 1.00 0.00 H new ATOM 0 HA ALA A 22 1.835 12.330 4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.911 14.740 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.339 13.775 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.177 14.699 3.119 1.00 0.00 H new ATOM 338 N ALA A 23 -0.638 13.458 5.824 1.00 0.00 N ATOM 339 CA ALA A 23 -1.068 13.956 7.123 1.00 0.00 C ATOM 340 C ALA A 23 -0.983 12.862 8.178 1.00 0.00 C ATOM 341 O ALA A 23 -1.035 11.673 7.865 1.00 0.00 O ATOM 342 CB ALA A 23 -2.487 14.492 7.029 1.00 0.00 C ATOM 0 H ALA A 23 -1.404 13.180 5.210 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.402 14.766 7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.801 14.863 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.522 15.305 6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.157 13.693 6.711 1.00 0.00 H new ATOM 348 N GLU A 24 -0.854 13.279 9.429 1.00 0.00 N ATOM 349 CA GLU A 24 -0.696 12.351 10.540 1.00 0.00 C ATOM 350 C GLU A 24 -2.048 11.814 10.985 1.00 0.00 C ATOM 351 O GLU A 24 -2.155 10.679 11.443 1.00 0.00 O ATOM 352 CB GLU A 24 0.009 13.037 11.715 1.00 0.00 C ATOM 353 CG GLU A 24 1.405 13.535 11.381 1.00 0.00 C ATOM 354 CD GLU A 24 2.073 14.227 12.553 1.00 0.00 C ATOM 355 OE1 GLU A 24 1.829 15.436 12.753 1.00 0.00 O ATOM 356 OE2 GLU A 24 2.844 13.567 13.283 1.00 0.00 O ATOM 0 H GLU A 24 -0.856 14.262 9.702 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.083 11.516 10.202 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.597 13.879 12.050 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.072 12.337 12.549 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.020 12.694 11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.349 14.226 10.540 1.00 0.00 H new ATOM 363 N GLY A 25 -3.078 12.637 10.838 1.00 0.00 N ATOM 364 CA GLY A 25 -4.419 12.228 11.212 1.00 0.00 C ATOM 365 C GLY A 25 -5.182 11.650 10.039 1.00 0.00 C ATOM 366 O GLY A 25 -6.324 12.033 9.783 1.00 0.00 O ATOM 0 H GLY A 25 -3.009 13.584 10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.363 11.487 12.009 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.962 13.085 11.611 1.00 0.00 H new ATOM 370 N TYR A 26 -4.554 10.721 9.332 1.00 0.00 N ATOM 371 CA TYR A 26 -5.135 10.157 8.117 1.00 0.00 C ATOM 372 C TYR A 26 -6.287 9.205 8.434 1.00 0.00 C ATOM 373 O TYR A 26 -7.113 8.912 7.571 1.00 0.00 O ATOM 374 CB TYR A 26 -4.058 9.437 7.289 1.00 0.00 C ATOM 375 CG TYR A 26 -3.275 8.386 8.064 1.00 0.00 C ATOM 376 CD1 TYR A 26 -3.876 7.213 8.505 1.00 0.00 C ATOM 377 CD2 TYR A 26 -1.931 8.576 8.353 1.00 0.00 C ATOM 378 CE1 TYR A 26 -3.165 6.263 9.209 1.00 0.00 C ATOM 379 CE2 TYR A 26 -1.212 7.628 9.055 1.00 0.00 C ATOM 380 CZ TYR A 26 -1.833 6.474 9.483 1.00 0.00 C ATOM 381 OH TYR A 26 -1.118 5.526 10.178 1.00 0.00 O ATOM 0 H TYR A 26 -3.640 10.340 9.578 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.538 10.983 7.530 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.533 8.961 6.431 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.361 10.178 6.897 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.921 7.042 8.292 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.439 9.479 8.024 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.651 5.358 9.543 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.166 7.791 9.268 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.192 5.829 10.286 1.00 0.00 H new ATOM 391 N ALA A 27 -6.349 8.738 9.680 1.00 0.00 N ATOM 392 CA ALA A 27 -7.371 7.779 10.091 1.00 0.00 C ATOM 393 C ALA A 27 -8.757 8.407 10.078 1.00 0.00 C ATOM 394 O ALA A 27 -9.770 7.711 10.149 1.00 0.00 O ATOM 395 CB ALA A 27 -7.060 7.224 11.473 1.00 0.00 C ATOM 0 H ALA A 27 -5.703 9.009 10.422 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.363 6.960 9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.833 6.511 11.761 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.093 6.722 11.454 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.031 8.040 12.195 1.00 0.00 H new ATOM 401 N GLU A 28 -8.795 9.725 9.982 1.00 0.00 N ATOM 402 CA GLU A 28 -10.053 10.441 9.920 1.00 0.00 C ATOM 403 C GLU A 28 -10.661 10.317 8.525 1.00 0.00 C ATOM 404 O GLU A 28 -11.876 10.411 8.352 1.00 0.00 O ATOM 405 CB GLU A 28 -9.832 11.913 10.275 1.00 0.00 C ATOM 406 CG GLU A 28 -11.119 12.694 10.474 1.00 0.00 C ATOM 407 CD GLU A 28 -11.942 12.162 11.629 1.00 0.00 C ATOM 408 OE1 GLU A 28 -12.700 11.196 11.432 1.00 0.00 O ATOM 409 OE2 GLU A 28 -11.825 12.704 12.747 1.00 0.00 O ATOM 0 H GLU A 28 -7.967 10.320 9.945 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.746 10.005 10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.237 11.972 11.186 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.250 12.385 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.881 13.743 10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.711 12.653 9.560 1.00 0.00 H new ATOM 416 N ASP A 29 -9.812 10.071 7.533 1.00 0.00 N ATOM 417 CA ASP A 29 -10.245 10.039 6.145 1.00 0.00 C ATOM 418 C ASP A 29 -10.824 8.682 5.762 1.00 0.00 C ATOM 419 O ASP A 29 -10.111 7.679 5.672 1.00 0.00 O ATOM 420 CB ASP A 29 -9.093 10.436 5.223 1.00 0.00 C ATOM 421 CG ASP A 29 -8.891 11.932 5.224 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.668 12.639 4.542 1.00 0.00 O ATOM 423 OD2 ASP A 29 -7.963 12.418 5.908 1.00 0.00 O ATOM 0 H ASP A 29 -8.817 9.891 7.667 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.048 10.766 6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.177 9.941 5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.299 10.094 4.209 1.00 0.00 H new ATOM 428 N GLU A 30 -12.135 8.668 5.534 1.00 0.00 N ATOM 429 CA GLU A 30 -12.871 7.440 5.263 1.00 0.00 C ATOM 430 C GLU A 30 -12.438 6.798 3.946 1.00 0.00 C ATOM 431 O GLU A 30 -12.566 5.588 3.776 1.00 0.00 O ATOM 432 CB GLU A 30 -14.375 7.710 5.255 1.00 0.00 C ATOM 433 CG GLU A 30 -15.214 6.447 5.168 1.00 0.00 C ATOM 434 CD GLU A 30 -16.692 6.709 5.351 1.00 0.00 C ATOM 435 OE1 GLU A 30 -17.157 6.708 6.508 1.00 0.00 O ATOM 436 OE2 GLU A 30 -17.396 6.896 4.341 1.00 0.00 O ATOM 0 H GLU A 30 -12.715 9.507 5.532 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.641 6.736 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.644 8.254 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.616 8.356 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.051 5.975 4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.878 5.741 5.928 1.00 0.00 H new ATOM 443 N LEU A 31 -11.912 7.599 3.023 1.00 0.00 N ATOM 444 CA LEU A 31 -11.400 7.067 1.761 1.00 0.00 C ATOM 445 C LEU A 31 -10.382 5.981 2.027 1.00 0.00 C ATOM 446 O LEU A 31 -10.376 4.930 1.395 1.00 0.00 O ATOM 447 CB LEU A 31 -10.725 8.166 0.937 1.00 0.00 C ATOM 448 CG LEU A 31 -9.792 9.105 1.693 1.00 0.00 C ATOM 449 CD1 LEU A 31 -8.361 8.597 1.588 1.00 0.00 C ATOM 450 CD2 LEU A 31 -9.902 10.520 1.146 1.00 0.00 C ATOM 0 H LEU A 31 -11.829 8.611 3.122 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.247 6.664 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.157 7.692 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.503 8.765 0.465 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.083 9.127 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.696 9.270 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.297 7.598 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.064 8.559 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.229 11.177 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.629 10.524 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.927 10.874 1.257 1.00 0.00 H new ATOM 462 N LEU A 32 -9.557 6.253 3.006 1.00 0.00 N ATOM 463 CA LEU A 32 -8.434 5.445 3.344 1.00 0.00 C ATOM 464 C LEU A 32 -8.913 4.165 4.020 1.00 0.00 C ATOM 465 O LEU A 32 -8.281 3.110 3.930 1.00 0.00 O ATOM 466 CB LEU A 32 -7.590 6.321 4.246 1.00 0.00 C ATOM 467 CG LEU A 32 -6.171 5.863 4.507 1.00 0.00 C ATOM 468 CD1 LEU A 32 -5.307 6.088 3.282 1.00 0.00 C ATOM 469 CD2 LEU A 32 -5.597 6.591 5.702 1.00 0.00 C ATOM 0 H LEU A 32 -9.660 7.073 3.604 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.849 5.117 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.550 7.319 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.100 6.412 5.205 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.185 4.795 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.290 5.753 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.712 5.523 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.296 7.149 3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.576 6.252 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.595 7.664 5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.206 6.383 6.582 1.00 0.00 H new ATOM 481 N LEU A 33 -10.065 4.274 4.669 1.00 0.00 N ATOM 482 CA LEU A 33 -10.749 3.124 5.235 1.00 0.00 C ATOM 483 C LEU A 33 -11.301 2.267 4.097 1.00 0.00 C ATOM 484 O LEU A 33 -11.136 1.054 4.088 1.00 0.00 O ATOM 485 CB LEU A 33 -11.872 3.595 6.172 1.00 0.00 C ATOM 486 CG LEU A 33 -12.441 2.547 7.141 1.00 0.00 C ATOM 487 CD1 LEU A 33 -13.199 3.236 8.265 1.00 0.00 C ATOM 488 CD2 LEU A 33 -13.364 1.569 6.423 1.00 0.00 C ATOM 0 H LEU A 33 -10.548 5.160 4.816 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.054 2.523 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.498 4.434 6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.691 3.974 5.560 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.604 1.984 7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.599 2.486 8.947 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.523 3.897 8.808 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.019 3.820 7.847 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.749 0.841 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.195 2.114 5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.808 1.051 5.641 1.00 0.00 H new ATOM 500 N ASN A 34 -11.934 2.917 3.123 1.00 0.00 N ATOM 501 CA ASN A 34 -12.464 2.220 1.949 1.00 0.00 C ATOM 502 C ASN A 34 -11.347 1.538 1.180 1.00 0.00 C ATOM 503 O ASN A 34 -11.521 0.430 0.671 1.00 0.00 O ATOM 504 CB ASN A 34 -13.202 3.181 1.006 1.00 0.00 C ATOM 505 CG ASN A 34 -14.550 3.636 1.531 1.00 0.00 C ATOM 506 OD1 ASN A 34 -15.561 2.958 1.351 1.00 0.00 O ATOM 507 ND2 ASN A 34 -14.582 4.802 2.152 1.00 0.00 N ATOM 0 H ASN A 34 -12.093 3.924 3.122 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.170 1.474 2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.576 4.056 0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.344 2.692 0.042 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.467 5.169 2.502 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.722 5.334 2.282 1.00 0.00 H new ATOM 514 N GLN A 35 -10.201 2.200 1.103 1.00 0.00 N ATOM 515 CA GLN A 35 -9.053 1.657 0.396 1.00 0.00 C ATOM 516 C GLN A 35 -8.548 0.389 1.069 1.00 0.00 C ATOM 517 O GLN A 35 -8.351 -0.646 0.418 1.00 0.00 O ATOM 518 CB GLN A 35 -7.946 2.697 0.343 1.00 0.00 C ATOM 519 CG GLN A 35 -8.172 3.732 -0.733 1.00 0.00 C ATOM 520 CD GLN A 35 -7.633 5.091 -0.363 1.00 0.00 C ATOM 521 OE1 GLN A 35 -6.683 5.212 0.405 1.00 0.00 O ATOM 522 NE2 GLN A 35 -8.244 6.132 -0.900 1.00 0.00 N ATOM 0 H GLN A 35 -10.043 3.116 1.523 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.360 1.402 -0.618 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.873 3.194 1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.993 2.199 0.168 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.699 3.398 -1.656 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.240 3.813 -0.934 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.030 5.991 -1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.929 7.077 -0.681 1.00 0.00 H new ATOM 531 N MET A 36 -8.415 0.451 2.386 1.00 0.00 N ATOM 532 CA MET A 36 -7.960 -0.697 3.148 1.00 0.00 C ATOM 533 C MET A 36 -9.155 -1.484 3.674 1.00 0.00 C ATOM 534 O MET A 36 -9.054 -2.249 4.630 1.00 0.00 O ATOM 535 CB MET A 36 -7.036 -0.273 4.290 1.00 0.00 C ATOM 536 CG MET A 36 -5.783 0.450 3.812 1.00 0.00 C ATOM 537 SD MET A 36 -4.974 -0.379 2.424 1.00 0.00 S ATOM 538 CE MET A 36 -4.421 -1.914 3.162 1.00 0.00 C ATOM 0 H MET A 36 -8.615 1.281 2.945 1.00 0.00 H new ATOM 0 HA MET A 36 -7.384 -1.343 2.485 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.585 0.377 4.971 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.744 -1.156 4.859 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.047 1.466 3.517 1.00 0.00 H new ATOM 0 HG3 MET A 36 -5.079 0.531 4.640 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.354 -1.852 3.374 1.00 0.00 H new ATOM 0 HE2 MET A 36 -4.966 -2.088 4.090 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.607 -2.737 2.472 1.00 0.00 H new ATOM 548 N GLY A 37 -10.304 -1.231 3.075 1.00 0.00 N ATOM 549 CA GLY A 37 -11.438 -2.109 3.233 1.00 0.00 C ATOM 550 C GLY A 37 -11.642 -2.926 1.980 1.00 0.00 C ATOM 551 O GLY A 37 -12.211 -4.017 2.012 1.00 0.00 O ATOM 0 H GLY A 37 -10.472 -0.423 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.280 -2.770 4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.333 -1.524 3.445 1.00 0.00 H new ATOM 555 N LYS A 38 -11.156 -2.387 0.870 1.00 0.00 N ATOM 556 CA LYS A 38 -11.243 -3.051 -0.419 1.00 0.00 C ATOM 557 C LYS A 38 -10.122 -4.065 -0.594 1.00 0.00 C ATOM 558 O LYS A 38 -10.363 -5.267 -0.671 1.00 0.00 O ATOM 559 CB LYS A 38 -11.150 -2.031 -1.548 1.00 0.00 C ATOM 560 CG LYS A 38 -11.311 -2.646 -2.928 1.00 0.00 C ATOM 561 CD LYS A 38 -11.019 -1.650 -4.037 1.00 0.00 C ATOM 562 CE LYS A 38 -11.188 -2.283 -5.410 1.00 0.00 C ATOM 563 NZ LYS A 38 -10.285 -3.452 -5.606 1.00 0.00 N ATOM 0 H LYS A 38 -10.692 -1.479 0.840 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.203 -3.566 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.917 -1.270 -1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.186 -1.526 -1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.641 -3.501 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.327 -3.024 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.687 -0.794 -3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.002 -1.273 -3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.223 -2.600 -5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.987 -1.537 -6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.296 -3.735 -6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.316 -3.193 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.612 -4.245 -5.018 1.00 0.00 H new ATOM 577 N VAL A 39 -8.891 -3.568 -0.654 1.00 0.00 N ATOM 578 CA VAL A 39 -7.745 -4.403 -0.994 1.00 0.00 C ATOM 579 C VAL A 39 -6.968 -4.801 0.254 1.00 0.00 C ATOM 580 O VAL A 39 -5.738 -4.747 0.294 1.00 0.00 O ATOM 581 CB VAL A 39 -6.805 -3.683 -1.987 1.00 0.00 C ATOM 582 CG1 VAL A 39 -7.502 -3.459 -3.321 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.314 -2.360 -1.414 1.00 0.00 C ATOM 0 H VAL A 39 -8.662 -2.591 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.131 -5.305 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.939 -4.323 -2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.823 -2.951 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.793 -4.420 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.390 -2.846 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.654 -1.874 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.167 -1.713 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.769 -2.544 -0.488 1.00 0.00 H new ATOM 593 N ASN A 40 -7.694 -5.224 1.269 1.00 0.00 N ATOM 594 CA ASN A 40 -7.094 -5.480 2.564 1.00 0.00 C ATOM 595 C ASN A 40 -7.662 -6.733 3.215 1.00 0.00 C ATOM 596 O ASN A 40 -7.063 -7.292 4.133 1.00 0.00 O ATOM 597 CB ASN A 40 -7.342 -4.278 3.464 1.00 0.00 C ATOM 598 CG ASN A 40 -6.580 -4.339 4.771 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.073 -3.912 5.816 1.00 0.00 O ATOM 600 ND2 ASN A 40 -5.362 -4.836 4.721 1.00 0.00 N ATOM 0 H ASN A 40 -8.698 -5.398 1.223 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.025 -5.641 2.422 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.062 -3.370 2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.409 -4.206 3.677 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.793 -4.877 5.566 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.988 -5.180 3.837 1.00 0.00 H new ATOM 607 N ASP A 41 -8.811 -7.178 2.732 1.00 0.00 N ATOM 608 CA ASP A 41 -9.488 -8.325 3.317 1.00 0.00 C ATOM 609 C ASP A 41 -8.745 -9.613 2.980 1.00 0.00 C ATOM 610 O ASP A 41 -8.632 -10.513 3.812 1.00 0.00 O ATOM 611 CB ASP A 41 -10.933 -8.393 2.819 1.00 0.00 C ATOM 612 CG ASP A 41 -11.698 -9.568 3.396 1.00 0.00 C ATOM 613 OD1 ASP A 41 -12.175 -9.467 4.546 1.00 0.00 O ATOM 614 OD2 ASP A 41 -11.834 -10.594 2.695 1.00 0.00 O ATOM 0 H ASP A 41 -9.295 -6.762 1.936 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.497 -8.210 4.401 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.446 -7.468 3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.935 -8.463 1.731 1.00 0.00 H new ATOM 619 N THR A 42 -8.229 -9.688 1.761 1.00 0.00 N ATOM 620 CA THR A 42 -7.435 -10.831 1.333 1.00 0.00 C ATOM 621 C THR A 42 -6.089 -10.384 0.752 1.00 0.00 C ATOM 622 O THR A 42 -5.858 -10.476 -0.453 1.00 0.00 O ATOM 623 CB THR A 42 -8.193 -11.687 0.292 1.00 0.00 C ATOM 624 OG1 THR A 42 -8.719 -10.855 -0.754 1.00 0.00 O ATOM 625 CG2 THR A 42 -9.324 -12.466 0.947 1.00 0.00 C ATOM 0 H THR A 42 -8.347 -8.968 1.049 1.00 0.00 H new ATOM 0 HA THR A 42 -7.252 -11.441 2.217 1.00 0.00 H new ATOM 0 HB THR A 42 -7.485 -12.396 -0.137 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.988 -10.351 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.841 -13.060 0.193 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.916 -13.127 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.027 -11.771 1.406 1.00 0.00 H new ATOM 633 N PRO A 43 -5.175 -9.891 1.606 1.00 0.00 N ATOM 634 CA PRO A 43 -3.871 -9.397 1.175 1.00 0.00 C ATOM 635 C PRO A 43 -2.791 -10.479 1.229 1.00 0.00 C ATOM 636 O PRO A 43 -1.598 -10.184 1.175 1.00 0.00 O ATOM 637 CB PRO A 43 -3.592 -8.316 2.211 1.00 0.00 C ATOM 638 CG PRO A 43 -4.220 -8.821 3.467 1.00 0.00 C ATOM 639 CD PRO A 43 -5.331 -9.766 3.065 1.00 0.00 C ATOM 0 HA PRO A 43 -3.867 -9.053 0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.521 -8.158 2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.021 -7.360 1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.484 -9.334 4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.613 -7.995 4.059 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.234 -10.731 3.562 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.310 -9.368 3.330 1.00 0.00 H new ATOM 647 N GLU A 44 -3.240 -11.725 1.380 1.00 0.00 N ATOM 648 CA GLU A 44 -2.378 -12.911 1.438 1.00 0.00 C ATOM 649 C GLU A 44 -1.620 -13.016 2.766 1.00 0.00 C ATOM 650 O GLU A 44 -1.482 -14.113 3.313 1.00 0.00 O ATOM 651 CB GLU A 44 -1.409 -12.973 0.249 1.00 0.00 C ATOM 652 CG GLU A 44 -0.678 -14.305 0.143 1.00 0.00 C ATOM 653 CD GLU A 44 0.048 -14.483 -1.173 1.00 0.00 C ATOM 654 OE1 GLU A 44 -0.622 -14.763 -2.191 1.00 0.00 O ATOM 655 OE2 GLU A 44 1.291 -14.361 -1.193 1.00 0.00 O ATOM 0 H GLU A 44 -4.232 -11.945 1.467 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.042 -13.773 1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.963 -12.795 -0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.678 -12.170 0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.039 -14.385 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.395 -15.117 0.268 1.00 0.00 H new ATOM 662 N GLU A 45 -1.126 -11.897 3.284 1.00 0.00 N ATOM 663 CA GLU A 45 -0.432 -11.899 4.573 1.00 0.00 C ATOM 664 C GLU A 45 -1.412 -12.045 5.733 1.00 0.00 C ATOM 665 O GLU A 45 -1.567 -13.130 6.294 1.00 0.00 O ATOM 666 CB GLU A 45 0.383 -10.623 4.785 1.00 0.00 C ATOM 667 CG GLU A 45 1.575 -10.456 3.862 1.00 0.00 C ATOM 668 CD GLU A 45 2.499 -9.350 4.336 1.00 0.00 C ATOM 669 OE1 GLU A 45 2.259 -8.177 3.992 1.00 0.00 O ATOM 670 OE2 GLU A 45 3.460 -9.652 5.070 1.00 0.00 O ATOM 0 H GLU A 45 -1.191 -10.982 2.838 1.00 0.00 H new ATOM 0 HA GLU A 45 0.243 -12.755 4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.277 -9.765 4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.737 -10.604 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.128 -11.394 3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.226 -10.232 2.854 1.00 0.00 H new ATOM 677 N GLU A 46 -2.071 -10.946 6.094 1.00 0.00 N ATOM 678 CA GLU A 46 -2.961 -10.933 7.248 1.00 0.00 C ATOM 679 C GLU A 46 -4.236 -10.148 6.950 1.00 0.00 C ATOM 680 O GLU A 46 -5.276 -10.727 6.639 1.00 0.00 O ATOM 681 CB GLU A 46 -2.261 -10.323 8.468 1.00 0.00 C ATOM 682 CG GLU A 46 -1.001 -11.056 8.894 1.00 0.00 C ATOM 683 CD GLU A 46 -0.373 -10.450 10.128 1.00 0.00 C ATOM 684 OE1 GLU A 46 0.430 -9.504 9.991 1.00 0.00 O ATOM 685 OE2 GLU A 46 -0.688 -10.913 11.245 1.00 0.00 O ATOM 0 H GLU A 46 -2.004 -10.054 5.603 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.227 -11.967 7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.007 -9.286 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.960 -10.309 9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.240 -12.102 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.280 -11.039 8.077 1.00 0.00 H new ATOM 692 N GLY A 47 -4.144 -8.825 7.031 1.00 0.00 N ATOM 693 CA GLY A 47 -5.304 -7.987 6.796 1.00 0.00 C ATOM 694 C GLY A 47 -5.211 -6.647 7.502 1.00 0.00 C ATOM 695 O GLY A 47 -4.627 -5.703 6.991 1.00 0.00 O ATOM 0 H GLY A 47 -3.287 -8.319 7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.416 -7.821 5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.199 -8.510 7.134 1.00 0.00 H new ATOM 699 N MET A 48 -5.746 -6.567 8.694 1.00 0.00 N ATOM 700 CA MET A 48 -5.803 -5.315 9.416 1.00 0.00 C ATOM 701 C MET A 48 -4.409 -4.752 9.738 1.00 0.00 C ATOM 702 O MET A 48 -4.171 -3.557 9.541 1.00 0.00 O ATOM 703 CB MET A 48 -6.646 -5.484 10.686 1.00 0.00 C ATOM 704 CG MET A 48 -6.702 -4.244 11.560 1.00 0.00 C ATOM 705 SD MET A 48 -5.243 -4.051 12.601 1.00 0.00 S ATOM 706 CE MET A 48 -5.482 -2.365 13.122 1.00 0.00 C ATOM 0 H MET A 48 -6.152 -7.360 9.191 1.00 0.00 H new ATOM 0 HA MET A 48 -6.281 -4.581 8.767 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.661 -5.762 10.402 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.242 -6.310 11.271 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.809 -3.364 10.926 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.589 -4.291 12.192 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.666 -2.068 13.780 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.499 -1.713 12.249 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.428 -2.280 13.656 1.00 0.00 H new ATOM 716 N PRO A 49 -3.444 -5.581 10.201 1.00 0.00 N ATOM 717 CA PRO A 49 -2.109 -5.080 10.506 1.00 0.00 C ATOM 718 C PRO A 49 -1.388 -4.726 9.220 1.00 0.00 C ATOM 719 O PRO A 49 -0.485 -3.894 9.195 1.00 0.00 O ATOM 720 CB PRO A 49 -1.429 -6.243 11.227 1.00 0.00 C ATOM 721 CG PRO A 49 -2.154 -7.462 10.772 1.00 0.00 C ATOM 722 CD PRO A 49 -3.551 -7.038 10.415 1.00 0.00 C ATOM 0 HA PRO A 49 -2.114 -4.175 11.114 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.370 -6.298 10.975 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.493 -6.127 12.309 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.655 -7.908 9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.170 -8.217 11.558 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.905 -7.547 9.519 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.255 -7.273 11.214 1.00 0.00 H new ATOM 730 N LEU A 50 -1.832 -5.375 8.151 1.00 0.00 N ATOM 731 CA LEU A 50 -1.397 -5.064 6.801 1.00 0.00 C ATOM 732 C LEU A 50 -1.704 -3.616 6.475 1.00 0.00 C ATOM 733 O LEU A 50 -0.862 -2.891 5.969 1.00 0.00 O ATOM 734 CB LEU A 50 -2.132 -5.980 5.827 1.00 0.00 C ATOM 735 CG LEU A 50 -1.448 -7.293 5.476 1.00 0.00 C ATOM 736 CD1 LEU A 50 -0.755 -7.153 4.128 1.00 0.00 C ATOM 737 CD2 LEU A 50 -0.449 -7.705 6.552 1.00 0.00 C ATOM 0 H LEU A 50 -2.509 -6.137 8.200 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.321 -5.218 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.111 -6.208 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.303 -5.428 4.903 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.204 -8.076 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.263 -8.092 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.493 -6.910 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.012 -6.357 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.022 -8.647 6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.315 -6.934 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.968 -7.829 7.502 1.00 0.00 H new ATOM 749 N ARG A 51 -2.914 -3.207 6.811 1.00 0.00 N ATOM 750 CA ARG A 51 -3.354 -1.834 6.638 1.00 0.00 C ATOM 751 C ARG A 51 -2.505 -0.877 7.460 1.00 0.00 C ATOM 752 O ARG A 51 -2.019 0.125 6.944 1.00 0.00 O ATOM 753 CB ARG A 51 -4.833 -1.747 7.013 1.00 0.00 C ATOM 754 CG ARG A 51 -5.311 -0.401 7.535 1.00 0.00 C ATOM 755 CD ARG A 51 -6.769 -0.492 7.960 1.00 0.00 C ATOM 756 NE ARG A 51 -7.273 0.756 8.530 1.00 0.00 N ATOM 757 CZ ARG A 51 -8.521 0.914 8.976 1.00 0.00 C ATOM 758 NH1 ARG A 51 -9.392 -0.089 8.905 1.00 0.00 N ATOM 759 NH2 ARG A 51 -8.899 2.075 9.492 1.00 0.00 N ATOM 0 H ARG A 51 -3.623 -3.821 7.213 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.232 -1.536 5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.426 -2.005 6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.040 -2.503 7.771 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.697 -0.091 8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.196 0.359 6.762 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.378 -0.764 7.098 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.880 -1.291 8.693 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.636 1.550 8.590 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.107 -0.984 8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.344 0.037 9.247 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.236 2.848 9.548 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.853 2.195 9.833 1.00 0.00 H new ATOM 773 N ALA A 52 -2.315 -1.203 8.726 1.00 0.00 N ATOM 774 CA ALA A 52 -1.536 -0.361 9.614 1.00 0.00 C ATOM 775 C ALA A 52 -0.102 -0.179 9.112 1.00 0.00 C ATOM 776 O ALA A 52 0.379 0.947 9.008 1.00 0.00 O ATOM 777 CB ALA A 52 -1.538 -0.947 11.019 1.00 0.00 C ATOM 0 H ALA A 52 -2.690 -2.045 9.162 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.001 0.625 9.634 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.951 -0.309 11.680 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.562 -1.006 11.387 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.102 -1.946 10.997 1.00 0.00 H new ATOM 783 N TRP A 53 0.571 -1.279 8.770 1.00 0.00 N ATOM 784 CA TRP A 53 1.961 -1.189 8.336 1.00 0.00 C ATOM 785 C TRP A 53 2.065 -0.607 6.933 1.00 0.00 C ATOM 786 O TRP A 53 2.975 0.164 6.648 1.00 0.00 O ATOM 787 CB TRP A 53 2.687 -2.549 8.426 1.00 0.00 C ATOM 788 CG TRP A 53 2.518 -3.468 7.248 1.00 0.00 C ATOM 789 CD1 TRP A 53 1.685 -4.541 7.169 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.228 -3.425 5.999 1.00 0.00 C ATOM 791 NE1 TRP A 53 1.809 -5.148 5.942 1.00 0.00 N ATOM 792 CE2 TRP A 53 2.747 -4.486 5.212 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.210 -2.590 5.465 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.211 -4.734 3.929 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.673 -2.841 4.187 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.172 -3.907 3.434 1.00 0.00 C ATOM 0 H TRP A 53 0.184 -2.223 8.785 1.00 0.00 H new ATOM 0 HA TRP A 53 2.464 -0.509 9.023 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.752 -2.361 8.565 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.336 -3.067 9.318 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.022 -4.868 7.956 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.282 -5.964 5.629 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.601 -1.763 6.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.824 -5.554 3.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.434 -2.203 3.763 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.555 -4.078 2.439 1.00 0.00 H new ATOM 807 N VAL A 54 1.129 -0.967 6.060 1.00 0.00 N ATOM 808 CA VAL A 54 1.200 -0.558 4.666 1.00 0.00 C ATOM 809 C VAL A 54 0.962 0.942 4.546 1.00 0.00 C ATOM 810 O VAL A 54 1.649 1.631 3.791 1.00 0.00 O ATOM 811 CB VAL A 54 0.204 -1.357 3.786 1.00 0.00 C ATOM 812 CG1 VAL A 54 -1.167 -0.707 3.722 1.00 0.00 C ATOM 813 CG2 VAL A 54 0.762 -1.568 2.394 1.00 0.00 C ATOM 0 H VAL A 54 0.317 -1.538 6.294 1.00 0.00 H new ATOM 0 HA VAL A 54 2.201 -0.780 4.297 1.00 0.00 H new ATOM 0 HB VAL A 54 0.074 -2.329 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.825 -1.307 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.586 -0.641 4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.076 0.294 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.045 -2.131 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.946 -0.601 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.697 -2.124 2.457 1.00 0.00 H new ATOM 823 N ILE A 55 -0.001 1.443 5.310 1.00 0.00 N ATOM 824 CA ILE A 55 -0.246 2.868 5.386 1.00 0.00 C ATOM 825 C ILE A 55 0.939 3.585 6.027 1.00 0.00 C ATOM 826 O ILE A 55 1.359 4.641 5.560 1.00 0.00 O ATOM 827 CB ILE A 55 -1.544 3.145 6.165 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.738 2.655 5.346 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.683 4.618 6.503 1.00 0.00 C ATOM 830 CD1 ILE A 55 -4.072 2.822 6.034 1.00 0.00 C ATOM 0 H ILE A 55 -0.624 0.877 5.886 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.364 3.255 4.374 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.510 2.603 7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.760 3.194 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.594 1.601 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.610 4.779 7.053 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.838 4.932 7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.701 5.202 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.865 2.450 5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.073 2.259 6.968 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.242 3.877 6.246 1.00 0.00 H new ATOM 842 N LYS A 56 1.491 2.991 7.081 1.00 0.00 N ATOM 843 CA LYS A 56 2.665 3.543 7.750 1.00 0.00 C ATOM 844 C LYS A 56 3.865 3.600 6.804 1.00 0.00 C ATOM 845 O LYS A 56 4.508 4.641 6.666 1.00 0.00 O ATOM 846 CB LYS A 56 3.001 2.703 8.989 1.00 0.00 C ATOM 847 CG LYS A 56 4.370 2.992 9.582 1.00 0.00 C ATOM 848 CD LYS A 56 4.587 2.218 10.872 1.00 0.00 C ATOM 849 CE LYS A 56 6.043 2.249 11.311 1.00 0.00 C ATOM 850 NZ LYS A 56 6.603 3.624 11.304 1.00 0.00 N ATOM 0 H LYS A 56 1.143 2.125 7.491 1.00 0.00 H new ATOM 0 HA LYS A 56 2.436 4.563 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.242 2.880 9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.947 1.647 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.144 2.727 8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.467 4.060 9.776 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.961 2.640 11.659 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.271 1.184 10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.127 1.830 12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.633 1.615 10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.569 3.608 11.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.626 3.985 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.007 4.244 11.888 1.00 0.00 H new ATOM 864 N CYS A 57 4.147 2.485 6.143 1.00 0.00 N ATOM 865 CA CYS A 57 5.286 2.388 5.240 1.00 0.00 C ATOM 866 C CYS A 57 5.145 3.363 4.076 1.00 0.00 C ATOM 867 O CYS A 57 6.090 4.075 3.740 1.00 0.00 O ATOM 868 CB CYS A 57 5.431 0.958 4.716 1.00 0.00 C ATOM 869 SG CYS A 57 6.857 0.704 3.631 1.00 0.00 S ATOM 0 H CYS A 57 3.598 1.629 6.217 1.00 0.00 H new ATOM 0 HA CYS A 57 6.184 2.651 5.800 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.509 0.279 5.565 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.524 0.688 4.174 1.00 0.00 H new ATOM 0 HG CYS A 57 6.892 -0.536 3.243 1.00 0.00 H new ATOM 875 N ALA A 58 3.960 3.403 3.473 1.00 0.00 N ATOM 876 CA ALA A 58 3.702 4.314 2.363 1.00 0.00 C ATOM 877 C ALA A 58 3.798 5.763 2.828 1.00 0.00 C ATOM 878 O ALA A 58 4.261 6.635 2.094 1.00 0.00 O ATOM 879 CB ALA A 58 2.334 4.039 1.757 1.00 0.00 C ATOM 0 H ALA A 58 3.166 2.817 3.733 1.00 0.00 H new ATOM 0 HA ALA A 58 4.459 4.147 1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.157 4.727 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.298 3.013 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.565 4.179 2.516 1.00 0.00 H new ATOM 885 N HIS A 59 3.370 6.002 4.062 1.00 0.00 N ATOM 886 CA HIS A 59 3.434 7.327 4.664 1.00 0.00 C ATOM 887 C HIS A 59 4.886 7.781 4.781 1.00 0.00 C ATOM 888 O HIS A 59 5.240 8.881 4.352 1.00 0.00 O ATOM 889 CB HIS A 59 2.778 7.289 6.050 1.00 0.00 C ATOM 890 CG HIS A 59 2.452 8.631 6.631 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.630 8.790 7.724 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.822 9.876 6.261 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.503 10.072 7.996 1.00 0.00 C ATOM 894 NE2 HIS A 59 2.221 10.758 7.126 1.00 0.00 N ATOM 0 H HIS A 59 2.971 5.287 4.670 1.00 0.00 H new ATOM 0 HA HIS A 59 2.899 8.036 4.032 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.860 6.705 5.986 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.443 6.764 6.736 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.471 10.131 5.437 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.911 10.492 8.796 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.314 11.773 7.100 1.00 0.00 H new ATOM 903 N GLU A 60 5.721 6.919 5.349 1.00 0.00 N ATOM 904 CA GLU A 60 7.137 7.217 5.517 1.00 0.00 C ATOM 905 C GLU A 60 7.834 7.318 4.165 1.00 0.00 C ATOM 906 O GLU A 60 8.753 8.120 3.988 1.00 0.00 O ATOM 907 CB GLU A 60 7.807 6.145 6.378 1.00 0.00 C ATOM 908 CG GLU A 60 7.213 6.032 7.771 1.00 0.00 C ATOM 909 CD GLU A 60 7.927 5.014 8.636 1.00 0.00 C ATOM 910 OE1 GLU A 60 8.970 5.359 9.226 1.00 0.00 O ATOM 911 OE2 GLU A 60 7.442 3.870 8.745 1.00 0.00 O ATOM 0 H GLU A 60 5.440 6.004 5.702 1.00 0.00 H new ATOM 0 HA GLU A 60 7.225 8.180 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.723 5.181 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.870 6.369 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.253 7.007 8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.161 5.759 7.691 1.00 0.00 H new ATOM 918 N ALA A 61 7.393 6.501 3.216 1.00 0.00 N ATOM 919 CA ALA A 61 7.946 6.511 1.869 1.00 0.00 C ATOM 920 C ALA A 61 7.649 7.828 1.164 1.00 0.00 C ATOM 921 O ALA A 61 8.521 8.407 0.514 1.00 0.00 O ATOM 922 CB ALA A 61 7.388 5.347 1.063 1.00 0.00 C ATOM 0 H ALA A 61 6.648 5.819 3.357 1.00 0.00 H new ATOM 0 HA ALA A 61 9.028 6.404 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.809 5.366 0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.652 4.408 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.303 5.433 1.003 1.00 0.00 H new ATOM 928 N LEU A 62 6.414 8.296 1.299 1.00 0.00 N ATOM 929 CA LEU A 62 5.983 9.527 0.652 1.00 0.00 C ATOM 930 C LEU A 62 6.617 10.747 1.302 1.00 0.00 C ATOM 931 O LEU A 62 7.157 11.604 0.617 1.00 0.00 O ATOM 932 CB LEU A 62 4.457 9.647 0.700 1.00 0.00 C ATOM 933 CG LEU A 62 3.887 10.981 0.202 1.00 0.00 C ATOM 934 CD1 LEU A 62 2.632 10.752 -0.613 1.00 0.00 C ATOM 935 CD2 LEU A 62 3.580 11.904 1.372 1.00 0.00 C ATOM 0 H LEU A 62 5.691 7.838 1.854 1.00 0.00 H new ATOM 0 HA LEU A 62 6.309 9.487 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.027 8.842 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.129 9.492 1.728 1.00 0.00 H new ATOM 0 HG LEU A 62 4.638 11.453 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.242 11.710 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.866 10.125 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.883 10.256 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.177 12.845 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.848 11.431 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.495 12.099 1.932 1.00 0.00 H new ATOM 947 N GLU A 63 6.560 10.812 2.620 1.00 0.00 N ATOM 948 CA GLU A 63 7.055 11.974 3.351 1.00 0.00 C ATOM 949 C GLU A 63 8.566 12.137 3.196 1.00 0.00 C ATOM 950 O GLU A 63 9.093 13.241 3.319 1.00 0.00 O ATOM 951 CB GLU A 63 6.666 11.874 4.824 1.00 0.00 C ATOM 952 CG GLU A 63 5.242 12.337 5.111 1.00 0.00 C ATOM 953 CD GLU A 63 5.086 13.837 4.963 1.00 0.00 C ATOM 954 OE1 GLU A 63 5.480 14.568 5.894 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.579 14.300 3.917 1.00 0.00 O ATOM 0 H GLU A 63 6.176 10.074 3.211 1.00 0.00 H new ATOM 0 HA GLU A 63 6.590 12.863 2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.776 10.840 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.360 12.471 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.554 11.833 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.963 12.043 6.123 1.00 0.00 H new ATOM 962 N LYS A 64 9.258 11.034 2.932 1.00 0.00 N ATOM 963 CA LYS A 64 10.703 11.067 2.723 1.00 0.00 C ATOM 964 C LYS A 64 11.036 11.848 1.452 1.00 0.00 C ATOM 965 O LYS A 64 12.063 12.525 1.369 1.00 0.00 O ATOM 966 CB LYS A 64 11.256 9.642 2.617 1.00 0.00 C ATOM 967 CG LYS A 64 12.772 9.573 2.489 1.00 0.00 C ATOM 968 CD LYS A 64 13.463 10.025 3.766 1.00 0.00 C ATOM 969 CE LYS A 64 14.971 10.113 3.590 1.00 0.00 C ATOM 970 NZ LYS A 64 15.562 8.823 3.146 1.00 0.00 N ATOM 0 H LYS A 64 8.843 10.105 2.857 1.00 0.00 H new ATOM 0 HA LYS A 64 11.165 11.564 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.950 9.078 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.806 9.152 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.072 8.552 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.096 10.199 1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.074 10.999 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.231 9.328 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.205 10.888 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.428 10.414 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.599 8.879 3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.223 8.056 3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.278 8.631 2.164 1.00 0.00 H new ATOM 984 N ASN A 65 10.152 11.752 0.475 1.00 0.00 N ATOM 985 CA ASN A 65 10.343 12.401 -0.815 1.00 0.00 C ATOM 986 C ASN A 65 8.987 12.733 -1.442 1.00 0.00 C ATOM 987 O ASN A 65 8.566 12.119 -2.422 1.00 0.00 O ATOM 988 CB ASN A 65 11.180 11.505 -1.743 1.00 0.00 C ATOM 989 CG ASN A 65 10.720 10.053 -1.759 1.00 0.00 C ATOM 990 OD1 ASN A 65 11.244 9.212 -1.027 1.00 0.00 O ATOM 991 ND2 ASN A 65 9.730 9.759 -2.581 1.00 0.00 N ATOM 0 H ASN A 65 9.283 11.224 0.550 1.00 0.00 H new ATOM 0 HA ASN A 65 10.887 13.334 -0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.136 11.903 -2.757 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.223 11.544 -1.430 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.371 8.805 -2.627 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.324 10.486 -3.171 1.00 0.00 H new ATOM 998 N PRO A 66 8.293 13.740 -0.889 1.00 0.00 N ATOM 999 CA PRO A 66 6.889 14.019 -1.219 1.00 0.00 C ATOM 1000 C PRO A 66 6.696 14.729 -2.562 1.00 0.00 C ATOM 1001 O PRO A 66 5.849 15.618 -2.693 1.00 0.00 O ATOM 1002 CB PRO A 66 6.447 14.906 -0.056 1.00 0.00 C ATOM 1003 CG PRO A 66 7.678 15.643 0.340 1.00 0.00 C ATOM 1004 CD PRO A 66 8.825 14.696 0.105 1.00 0.00 C ATOM 0 HA PRO A 66 6.310 13.103 -1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.654 15.591 -0.358 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.057 14.312 0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.795 16.552 -0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.631 15.947 1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.704 15.218 -0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.123 14.193 1.025 1.00 0.00 H new ATOM 1012 N LYS A 67 7.482 14.332 -3.555 1.00 0.00 N ATOM 1013 CA LYS A 67 7.331 14.835 -4.914 1.00 0.00 C ATOM 1014 C LYS A 67 7.289 13.663 -5.890 1.00 0.00 C ATOM 1015 O LYS A 67 7.790 13.744 -7.014 1.00 0.00 O ATOM 1016 CB LYS A 67 8.467 15.798 -5.297 1.00 0.00 C ATOM 1017 CG LYS A 67 8.481 17.108 -4.515 1.00 0.00 C ATOM 1018 CD LYS A 67 9.146 16.969 -3.152 1.00 0.00 C ATOM 1019 CE LYS A 67 10.634 16.668 -3.272 1.00 0.00 C ATOM 1020 NZ LYS A 67 11.368 17.745 -3.991 1.00 0.00 N ATOM 0 H LYS A 67 8.238 13.656 -3.442 1.00 0.00 H new ATOM 0 HA LYS A 67 6.396 15.394 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.421 15.291 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.389 16.026 -6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.005 17.868 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.457 17.458 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.007 17.889 -2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.659 16.172 -2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.059 16.543 -2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.771 15.723 -3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.390 17.634 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.166 17.682 -5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.061 18.672 -3.634 1.00 0.00 H new ATOM 1034 N ILE A 68 6.708 12.561 -5.438 1.00 0.00 N ATOM 1035 CA ILE A 68 6.589 11.363 -6.256 1.00 0.00 C ATOM 1036 C ILE A 68 5.164 11.154 -6.736 1.00 0.00 C ATOM 1037 O ILE A 68 4.285 11.979 -6.491 1.00 0.00 O ATOM 1038 CB ILE A 68 7.042 10.110 -5.492 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.378 10.049 -4.107 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.553 10.105 -5.383 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.618 8.748 -3.376 1.00 0.00 C ATOM 0 H ILE A 68 6.309 12.472 -4.503 1.00 0.00 H new ATOM 0 HA ILE A 68 7.240 11.514 -7.117 1.00 0.00 H new ATOM 0 HB ILE A 68 6.731 9.220 -6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.752 10.872 -3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.304 10.199 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.876 9.216 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.990 10.100 -6.382 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.882 10.996 -4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.120 8.778 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.219 7.921 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.689 8.605 -3.229 1.00 0.00 H new ATOM 1053 N ARG A 69 4.944 10.036 -7.410 1.00 0.00 N ATOM 1054 CA ARG A 69 3.630 9.733 -7.969 1.00 0.00 C ATOM 1055 C ARG A 69 3.068 8.473 -7.336 1.00 0.00 C ATOM 1056 O ARG A 69 1.934 8.444 -6.880 1.00 0.00 O ATOM 1057 CB ARG A 69 3.703 9.514 -9.478 1.00 0.00 C ATOM 1058 CG ARG A 69 4.483 10.560 -10.246 1.00 0.00 C ATOM 1059 CD ARG A 69 4.495 10.235 -11.730 1.00 0.00 C ATOM 1060 NE ARG A 69 4.794 8.824 -11.979 1.00 0.00 N ATOM 1061 CZ ARG A 69 5.458 8.373 -13.043 1.00 0.00 C ATOM 1062 NH1 ARG A 69 5.904 9.219 -13.965 1.00 0.00 N ATOM 1063 NH2 ARG A 69 5.670 7.072 -13.184 1.00 0.00 N ATOM 0 H ARG A 69 5.653 9.324 -7.584 1.00 0.00 H new ATOM 0 HA ARG A 69 2.986 10.587 -7.759 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.152 8.539 -9.666 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.688 9.479 -9.873 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.039 11.542 -10.087 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.505 10.608 -9.870 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.526 10.482 -12.163 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.236 10.857 -12.232 1.00 0.00 H new ATOM 0 HE ARG A 69 4.473 8.141 -11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.739 10.220 -13.861 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.411 8.867 -14.777 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.325 6.420 -12.480 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.178 6.723 -13.997 1.00 0.00 H new ATOM 1077 N GLU A 70 3.871 7.421 -7.341 1.00 0.00 N ATOM 1078 CA GLU A 70 3.457 6.137 -6.812 1.00 0.00 C ATOM 1079 C GLU A 70 4.677 5.318 -6.404 1.00 0.00 C ATOM 1080 O GLU A 70 5.795 5.605 -6.830 1.00 0.00 O ATOM 1081 CB GLU A 70 2.615 5.375 -7.845 1.00 0.00 C ATOM 1082 CG GLU A 70 3.361 4.982 -9.122 1.00 0.00 C ATOM 1083 CD GLU A 70 3.723 6.156 -10.011 1.00 0.00 C ATOM 1084 OE1 GLU A 70 2.843 6.640 -10.754 1.00 0.00 O ATOM 1085 OE2 GLU A 70 4.898 6.589 -9.987 1.00 0.00 O ATOM 0 H GLU A 70 4.822 7.435 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 70 2.841 6.306 -5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.224 4.471 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.757 5.990 -8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.273 4.451 -8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.745 4.285 -9.691 1.00 0.00 H new ATOM 1092 N VAL A 71 4.462 4.310 -5.574 1.00 0.00 N ATOM 1093 CA VAL A 71 5.549 3.477 -5.082 1.00 0.00 C ATOM 1094 C VAL A 71 5.213 1.996 -5.203 1.00 0.00 C ATOM 1095 O VAL A 71 4.041 1.605 -5.301 1.00 0.00 O ATOM 1096 CB VAL A 71 5.909 3.788 -3.609 1.00 0.00 C ATOM 1097 CG1 VAL A 71 6.451 5.201 -3.471 1.00 0.00 C ATOM 1098 CG2 VAL A 71 4.708 3.584 -2.698 1.00 0.00 C ATOM 0 H VAL A 71 3.540 4.048 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 71 6.410 3.710 -5.708 1.00 0.00 H new ATOM 0 HB VAL A 71 6.689 3.091 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.697 5.396 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.348 5.308 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.698 5.914 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.989 3.809 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.900 4.247 -3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.373 2.549 -2.764 1.00 0.00 H new ATOM 1108 N TYR A 72 6.248 1.178 -5.213 1.00 0.00 N ATOM 1109 CA TYR A 72 6.086 -0.263 -5.211 1.00 0.00 C ATOM 1110 C TYR A 72 6.511 -0.813 -3.875 1.00 0.00 C ATOM 1111 O TYR A 72 7.677 -0.756 -3.487 1.00 0.00 O ATOM 1112 CB TYR A 72 6.877 -0.915 -6.347 1.00 0.00 C ATOM 1113 CG TYR A 72 6.291 -0.659 -7.717 1.00 0.00 C ATOM 1114 CD1 TYR A 72 6.591 0.502 -8.420 1.00 0.00 C ATOM 1115 CD2 TYR A 72 5.430 -1.579 -8.305 1.00 0.00 C ATOM 1116 CE1 TYR A 72 6.050 0.737 -9.669 1.00 0.00 C ATOM 1117 CE2 TYR A 72 4.883 -1.350 -9.551 1.00 0.00 C ATOM 1118 CZ TYR A 72 5.196 -0.192 -10.231 1.00 0.00 C ATOM 1119 OH TYR A 72 4.643 0.046 -11.467 1.00 0.00 O ATOM 0 H TYR A 72 7.219 1.491 -5.223 1.00 0.00 H new ATOM 0 HA TYR A 72 5.034 -0.497 -5.376 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.902 -0.544 -6.324 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.923 -1.990 -6.176 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.257 1.231 -7.983 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.185 -2.489 -7.777 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.294 1.643 -10.204 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.213 -2.074 -9.991 1.00 0.00 H new ATOM 0 HH TYR A 72 4.067 -0.706 -11.718 1.00 0.00 H new ATOM 1129 N LEU A 73 5.525 -1.330 -3.180 1.00 0.00 N ATOM 1130 CA LEU A 73 5.673 -1.754 -1.816 1.00 0.00 C ATOM 1131 C LEU A 73 5.604 -3.276 -1.736 1.00 0.00 C ATOM 1132 O LEU A 73 4.803 -3.912 -2.420 1.00 0.00 O ATOM 1133 CB LEU A 73 4.582 -1.066 -0.989 1.00 0.00 C ATOM 1134 CG LEU A 73 4.460 -1.534 0.443 1.00 0.00 C ATOM 1135 CD1 LEU A 73 4.040 -0.395 1.361 1.00 0.00 C ATOM 1136 CD2 LEU A 73 3.454 -2.655 0.522 1.00 0.00 C ATOM 0 H LEU A 73 4.587 -1.468 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 73 6.644 -1.468 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.774 0.007 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.624 -1.218 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 73 5.436 -1.890 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.961 -0.763 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.784 0.400 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.074 -0.006 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.366 -2.993 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.485 -2.299 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.783 -3.484 -0.104 1.00 0.00 H new ATOM 1148 N LYS A 74 6.456 -3.859 -0.912 1.00 0.00 N ATOM 1149 CA LYS A 74 6.555 -5.304 -0.832 1.00 0.00 C ATOM 1150 C LYS A 74 6.153 -5.782 0.559 1.00 0.00 C ATOM 1151 O LYS A 74 6.631 -5.249 1.564 1.00 0.00 O ATOM 1152 CB LYS A 74 7.988 -5.738 -1.164 1.00 0.00 C ATOM 1153 CG LYS A 74 8.072 -7.057 -1.918 1.00 0.00 C ATOM 1154 CD LYS A 74 7.926 -8.261 -1.002 1.00 0.00 C ATOM 1155 CE LYS A 74 7.726 -9.535 -1.804 1.00 0.00 C ATOM 1156 NZ LYS A 74 8.802 -9.732 -2.813 1.00 0.00 N ATOM 0 H LYS A 74 7.088 -3.355 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 74 5.875 -5.755 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.465 -4.959 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.556 -5.823 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.292 -7.087 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.028 -7.114 -2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.814 -8.356 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.079 -8.112 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.702 -10.389 -1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.759 -9.499 -2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.758 -10.703 -3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.673 -9.058 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.728 -9.573 -2.368 1.00 0.00 H new ATOM 1170 N PRO A 75 5.238 -6.772 0.621 1.00 0.00 N ATOM 1171 CA PRO A 75 4.781 -7.386 1.876 1.00 0.00 C ATOM 1172 C PRO A 75 5.921 -7.738 2.825 1.00 0.00 C ATOM 1173 O PRO A 75 7.039 -8.036 2.397 1.00 0.00 O ATOM 1174 CB PRO A 75 4.092 -8.657 1.396 1.00 0.00 C ATOM 1175 CG PRO A 75 3.540 -8.287 0.073 1.00 0.00 C ATOM 1176 CD PRO A 75 4.545 -7.360 -0.544 1.00 0.00 C ATOM 0 HA PRO A 75 4.147 -6.709 2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.795 -9.487 1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.306 -8.969 2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.389 -9.170 -0.548 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.570 -7.800 0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.237 -7.895 -1.194 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.063 -6.594 -1.152 1.00 0.00 H new ATOM 1184 N ARG A 76 5.610 -7.715 4.116 1.00 0.00 N ATOM 1185 CA ARG A 76 6.586 -8.015 5.154 1.00 0.00 C ATOM 1186 C ARG A 76 6.986 -9.474 5.068 1.00 0.00 C ATOM 1187 O ARG A 76 8.144 -9.831 5.288 1.00 0.00 O ATOM 1188 CB ARG A 76 6.004 -7.726 6.534 1.00 0.00 C ATOM 1189 CG ARG A 76 5.430 -6.327 6.670 1.00 0.00 C ATOM 1190 CD ARG A 76 4.845 -6.089 8.053 1.00 0.00 C ATOM 1191 NE ARG A 76 5.869 -6.097 9.093 1.00 0.00 N ATOM 1192 CZ ARG A 76 5.700 -5.579 10.308 1.00 0.00 C ATOM 1193 NH1 ARG A 76 4.537 -5.030 10.645 1.00 0.00 N ATOM 1194 NH2 ARG A 76 6.693 -5.612 11.185 1.00 0.00 N ATOM 0 H ARG A 76 4.680 -7.489 4.470 1.00 0.00 H new ATOM 0 HA ARG A 76 7.462 -7.384 5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.221 -8.453 6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.783 -7.865 7.284 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.212 -5.593 6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.656 -6.177 5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.324 -5.132 8.066 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.104 -6.858 8.269 1.00 0.00 H new ATOM 0 HE ARG A 76 6.769 -6.525 8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.771 -5.005 9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.411 -4.634 11.577 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.586 -6.034 10.929 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.565 -5.215 12.116 1.00 0.00 H new ATOM 1208 N ALA A 77 6.007 -10.310 4.759 1.00 0.00 N ATOM 1209 CA ALA A 77 6.245 -11.714 4.509 1.00 0.00 C ATOM 1210 C ALA A 77 6.869 -11.892 3.135 1.00 0.00 C ATOM 1211 O ALA A 77 6.206 -12.303 2.178 1.00 0.00 O ATOM 1212 CB ALA A 77 4.949 -12.503 4.619 1.00 0.00 C ATOM 0 H ALA A 77 5.030 -10.031 4.676 1.00 0.00 H new ATOM 0 HA ALA A 77 6.936 -12.096 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.148 -13.558 4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.537 -12.387 5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.233 -12.130 3.887 1.00 0.00 H new ATOM 1218 N VAL A 78 8.152 -11.573 3.042 1.00 0.00 N ATOM 1219 CA VAL A 78 8.895 -11.689 1.791 1.00 0.00 C ATOM 1220 C VAL A 78 8.982 -13.145 1.342 1.00 0.00 C ATOM 1221 O VAL A 78 9.383 -13.436 0.217 1.00 0.00 O ATOM 1222 CB VAL A 78 10.318 -11.101 1.910 1.00 0.00 C ATOM 1223 CG1 VAL A 78 10.258 -9.613 2.215 1.00 0.00 C ATOM 1224 CG2 VAL A 78 11.123 -11.834 2.976 1.00 0.00 C ATOM 0 H VAL A 78 8.707 -11.228 3.826 1.00 0.00 H new ATOM 0 HA VAL A 78 8.348 -11.113 1.045 1.00 0.00 H new ATOM 0 HB VAL A 78 10.821 -11.237 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.270 -9.217 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.729 -9.098 1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.731 -9.455 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.121 -11.401 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.623 -11.738 3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.201 -12.889 2.712 1.00 0.00 H new ATOM 1234 N LYS A 79 8.590 -14.048 2.231 1.00 0.00 N ATOM 1235 CA LYS A 79 8.571 -15.472 1.935 1.00 0.00 C ATOM 1236 C LYS A 79 7.500 -15.783 0.892 1.00 0.00 C ATOM 1237 O LYS A 79 7.579 -16.788 0.188 1.00 0.00 O ATOM 1238 CB LYS A 79 8.310 -16.275 3.215 1.00 0.00 C ATOM 1239 CG LYS A 79 9.156 -15.830 4.401 1.00 0.00 C ATOM 1240 CD LYS A 79 10.644 -15.894 4.092 1.00 0.00 C ATOM 1241 CE LYS A 79 11.476 -15.362 5.250 1.00 0.00 C ATOM 1242 NZ LYS A 79 11.260 -16.146 6.494 1.00 0.00 N ATOM 0 H LYS A 79 8.278 -13.814 3.173 1.00 0.00 H new ATOM 0 HA LYS A 79 9.543 -15.757 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.256 -16.188 3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.503 -17.329 3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.886 -14.811 4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.936 -16.462 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.929 -16.925 3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.856 -15.314 3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.532 -15.391 4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.221 -14.318 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.962 -15.865 7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.303 -15.962 6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.363 -17.160 6.288 1.00 0.00 H new ATOM 1256 N ASN A 80 6.494 -14.912 0.803 1.00 0.00 N ATOM 1257 CA ASN A 80 5.433 -15.066 -0.186 1.00 0.00 C ATOM 1258 C ASN A 80 5.995 -14.927 -1.595 1.00 0.00 C ATOM 1259 O ASN A 80 5.566 -15.613 -2.523 1.00 0.00 O ATOM 1260 CB ASN A 80 4.345 -14.020 0.000 1.00 0.00 C ATOM 1261 CG ASN A 80 3.641 -14.110 1.330 1.00 0.00 C ATOM 1262 OD1 ASN A 80 3.553 -15.176 1.937 1.00 0.00 O ATOM 1263 ND2 ASN A 80 3.120 -12.988 1.786 1.00 0.00 N ATOM 0 H ASN A 80 6.394 -14.094 1.404 1.00 0.00 H new ATOM 0 HA ASN A 80 5.006 -16.059 -0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.785 -13.028 -0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.610 -14.126 -0.798 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.620 -12.982 2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.217 -12.126 1.250 1.00 0.00 H new ATOM 1270 N SER A 81 6.960 -14.015 -1.727 1.00 0.00 N ATOM 1271 CA SER A 81 7.691 -13.784 -2.972 1.00 0.00 C ATOM 1272 C SER A 81 6.833 -13.099 -4.046 1.00 0.00 C ATOM 1273 O SER A 81 7.073 -11.940 -4.386 1.00 0.00 O ATOM 1274 CB SER A 81 8.269 -15.101 -3.506 1.00 0.00 C ATOM 1275 OG SER A 81 9.206 -14.881 -4.550 1.00 0.00 O ATOM 0 H SER A 81 7.259 -13.409 -0.963 1.00 0.00 H new ATOM 0 HA SER A 81 8.507 -13.101 -2.738 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.752 -15.642 -2.692 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.459 -15.732 -3.872 1.00 0.00 H new ATOM 0 HG SER A 81 9.554 -15.742 -4.864 1.00 0.00 H new ATOM 1281 N SER A 82 5.821 -13.801 -4.545 1.00 0.00 N ATOM 1282 CA SER A 82 5.112 -13.391 -5.756 1.00 0.00 C ATOM 1283 C SER A 82 4.037 -12.331 -5.499 1.00 0.00 C ATOM 1284 O SER A 82 3.287 -11.978 -6.407 1.00 0.00 O ATOM 1285 CB SER A 82 4.474 -14.619 -6.402 1.00 0.00 C ATOM 1286 OG SER A 82 5.364 -15.725 -6.384 1.00 0.00 O ATOM 0 H SER A 82 5.470 -14.663 -4.127 1.00 0.00 H new ATOM 0 HA SER A 82 5.847 -12.936 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.557 -14.877 -5.873 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.195 -14.389 -7.430 1.00 0.00 H new ATOM 0 HG SER A 82 4.932 -16.499 -6.801 1.00 0.00 H new ATOM 1292 N VAL A 83 3.956 -11.821 -4.282 1.00 0.00 N ATOM 1293 CA VAL A 83 2.953 -10.816 -3.955 1.00 0.00 C ATOM 1294 C VAL A 83 3.595 -9.443 -3.762 1.00 0.00 C ATOM 1295 O VAL A 83 4.608 -9.308 -3.071 1.00 0.00 O ATOM 1296 CB VAL A 83 2.141 -11.206 -2.697 1.00 0.00 C ATOM 1297 CG1 VAL A 83 3.067 -11.500 -1.533 1.00 0.00 C ATOM 1298 CG2 VAL A 83 1.137 -10.121 -2.328 1.00 0.00 C ATOM 0 H VAL A 83 4.566 -12.082 -3.508 1.00 0.00 H new ATOM 0 HA VAL A 83 2.264 -10.765 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 83 1.581 -12.112 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.477 -11.772 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.730 -12.325 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.661 -10.614 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.582 -10.425 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.666 -9.190 -2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.443 -9.971 -3.155 1.00 0.00 H new ATOM 1308 N GLN A 84 3.015 -8.434 -4.401 1.00 0.00 N ATOM 1309 CA GLN A 84 3.496 -7.062 -4.290 1.00 0.00 C ATOM 1310 C GLN A 84 2.317 -6.097 -4.187 1.00 0.00 C ATOM 1311 O GLN A 84 1.270 -6.310 -4.805 1.00 0.00 O ATOM 1312 CB GLN A 84 4.358 -6.686 -5.502 1.00 0.00 C ATOM 1313 CG GLN A 84 5.582 -7.570 -5.694 1.00 0.00 C ATOM 1314 CD GLN A 84 6.395 -7.180 -6.912 1.00 0.00 C ATOM 1315 OE1 GLN A 84 7.332 -6.382 -6.823 1.00 0.00 O ATOM 1316 NE2 GLN A 84 6.039 -7.730 -8.062 1.00 0.00 N ATOM 0 H GLN A 84 2.202 -8.543 -5.008 1.00 0.00 H new ATOM 0 HA GLN A 84 4.105 -6.990 -3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.743 -6.736 -6.401 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.684 -5.651 -5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.212 -7.510 -4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.265 -8.608 -5.790 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.258 -8.386 -8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.545 -7.498 -8.917 1.00 0.00 H new ATOM 1325 N PHE A 85 2.488 -5.044 -3.405 1.00 0.00 N ATOM 1326 CA PHE A 85 1.473 -4.011 -3.281 1.00 0.00 C ATOM 1327 C PHE A 85 1.932 -2.748 -3.999 1.00 0.00 C ATOM 1328 O PHE A 85 3.003 -2.216 -3.725 1.00 0.00 O ATOM 1329 CB PHE A 85 1.183 -3.687 -1.814 1.00 0.00 C ATOM 1330 CG PHE A 85 0.509 -4.791 -1.044 1.00 0.00 C ATOM 1331 CD1 PHE A 85 -0.834 -5.061 -1.233 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.215 -5.548 -0.121 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -1.462 -6.067 -0.523 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.591 -6.553 0.592 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.746 -6.814 0.391 1.00 0.00 C ATOM 0 H PHE A 85 3.324 -4.882 -2.844 1.00 0.00 H new ATOM 0 HA PHE A 85 0.556 -4.385 -3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.122 -3.439 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.555 -2.797 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.400 -4.478 -1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.264 -5.350 0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.511 -6.268 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.152 -7.135 1.308 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.233 -7.601 0.947 1.00 0.00 H new ATOM 1345 N HIS A 86 1.124 -2.270 -4.915 1.00 0.00 N ATOM 1346 CA HIS A 86 1.460 -1.073 -5.657 1.00 0.00 C ATOM 1347 C HIS A 86 0.667 0.103 -5.116 1.00 0.00 C ATOM 1348 O HIS A 86 -0.535 0.212 -5.343 1.00 0.00 O ATOM 1349 CB HIS A 86 1.188 -1.275 -7.149 1.00 0.00 C ATOM 1350 CG HIS A 86 1.630 -0.129 -8.013 1.00 0.00 C ATOM 1351 ND1 HIS A 86 2.543 0.825 -7.607 1.00 0.00 N ATOM 1352 CD2 HIS A 86 1.276 0.208 -9.275 1.00 0.00 C ATOM 1353 CE1 HIS A 86 2.725 1.693 -8.582 1.00 0.00 C ATOM 1354 NE2 HIS A 86 1.973 1.343 -9.604 1.00 0.00 N ATOM 0 H HIS A 86 0.229 -2.690 -5.166 1.00 0.00 H new ATOM 0 HA HIS A 86 2.523 -0.863 -5.536 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.694 -2.182 -7.480 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.120 -1.435 -7.294 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.003 0.853 -6.697 1.00 0.00 H new ATOM 0 HD2 HIS A 86 0.575 -0.319 -9.906 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.382 2.549 -8.548 1.00 0.00 H new ATOM 1363 N VAL A 87 1.340 0.973 -4.389 1.00 0.00 N ATOM 1364 CA VAL A 87 0.686 2.124 -3.799 1.00 0.00 C ATOM 1365 C VAL A 87 0.798 3.326 -4.720 1.00 0.00 C ATOM 1366 O VAL A 87 1.896 3.787 -5.022 1.00 0.00 O ATOM 1367 CB VAL A 87 1.282 2.473 -2.420 1.00 0.00 C ATOM 1368 CG1 VAL A 87 0.615 3.712 -1.842 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.145 1.298 -1.464 1.00 0.00 C ATOM 0 H VAL A 87 2.339 0.905 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.364 1.866 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 87 2.343 2.687 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.051 3.940 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.769 4.556 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.454 3.530 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.571 1.564 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.091 1.051 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.675 0.436 -1.869 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.338 3.806 -5.188 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.376 4.985 -6.033 1.00 0.00 C ATOM 1381 C ILE A 88 -0.765 6.189 -5.193 1.00 0.00 C ATOM 1382 O ILE A 88 -1.668 6.099 -4.366 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.374 4.828 -7.211 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.946 3.704 -8.159 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.517 6.128 -7.983 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.352 2.323 -7.699 1.00 0.00 C ATOM 0 H ILE A 88 -1.252 3.395 -4.996 1.00 0.00 H new ATOM 0 HA ILE A 88 0.617 5.123 -6.461 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.341 4.567 -6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.377 3.889 -9.143 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.137 3.733 -8.275 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.222 5.989 -8.802 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.885 6.908 -7.317 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.547 6.421 -8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.012 1.583 -8.424 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.900 2.115 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.437 2.273 -7.611 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.082 7.302 -5.392 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.360 8.500 -4.630 1.00 0.00 C ATOM 1400 C PHE A 89 -1.152 9.489 -5.469 1.00 0.00 C ATOM 1401 O PHE A 89 -0.619 10.106 -6.391 1.00 0.00 O ATOM 1402 CB PHE A 89 0.936 9.124 -4.138 1.00 0.00 C ATOM 1403 CG PHE A 89 1.549 8.308 -3.053 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.839 8.064 -1.894 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.811 7.765 -3.196 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.374 7.291 -0.894 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.356 6.994 -2.193 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.631 6.758 -1.042 1.00 0.00 C ATOM 0 H PHE A 89 0.669 7.398 -6.076 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.962 8.232 -3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.637 9.215 -4.968 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.741 10.132 -3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.148 8.486 -1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.374 7.946 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.808 7.102 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.345 6.576 -2.306 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.054 6.152 -0.255 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.430 9.623 -5.155 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.315 10.479 -5.930 1.00 0.00 C ATOM 1420 C ASP A 90 -3.137 11.937 -5.545 1.00 0.00 C ATOM 1421 O ASP A 90 -3.427 12.328 -4.412 1.00 0.00 O ATOM 1422 CB ASP A 90 -4.782 10.085 -5.727 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.099 8.685 -6.207 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.274 8.495 -7.430 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -5.202 7.773 -5.363 1.00 0.00 O ATOM 0 H ASP A 90 -2.878 9.151 -4.370 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.050 10.348 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.028 10.163 -4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.418 10.795 -6.255 1.00 0.00 H new ATOM 1430 N GLU A 91 -2.655 12.738 -6.478 1.00 0.00 N ATOM 1431 CA GLU A 91 -2.602 14.172 -6.272 1.00 0.00 C ATOM 1432 C GLU A 91 -3.799 14.815 -6.959 1.00 0.00 C ATOM 1433 O GLU A 91 -4.006 14.656 -8.163 1.00 0.00 O ATOM 1434 CB GLU A 91 -1.272 14.783 -6.757 1.00 0.00 C ATOM 1435 CG GLU A 91 -1.048 14.754 -8.263 1.00 0.00 C ATOM 1436 CD GLU A 91 -0.912 13.356 -8.825 1.00 0.00 C ATOM 1437 OE1 GLU A 91 0.210 12.809 -8.800 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -1.924 12.806 -9.307 1.00 0.00 O ATOM 0 H GLU A 91 -2.297 12.422 -7.379 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.649 14.373 -5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.224 15.818 -6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.451 14.252 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.880 15.256 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.148 15.322 -8.500 1.00 0.00 H new ATOM 1445 N GLU A 92 -4.606 15.504 -6.179 1.00 0.00 N ATOM 1446 CA GLU A 92 -5.850 16.067 -6.672 1.00 0.00 C ATOM 1447 C GLU A 92 -5.831 17.581 -6.533 1.00 0.00 C ATOM 1448 O GLU A 92 -5.679 18.272 -7.563 1.00 0.00 O ATOM 1449 CB GLU A 92 -7.035 15.470 -5.907 1.00 0.00 C ATOM 1450 CG GLU A 92 -7.209 13.970 -6.110 1.00 0.00 C ATOM 1451 CD GLU A 92 -7.623 13.613 -7.524 1.00 0.00 C ATOM 1452 OE1 GLU A 92 -8.809 13.807 -7.864 1.00 0.00 O ATOM 1453 OE2 GLU A 92 -6.767 13.138 -8.304 1.00 0.00 O ATOM 1454 OXT GLU A 92 -5.938 18.073 -5.389 1.00 0.00 O ATOM 0 H GLU A 92 -4.422 15.690 -5.193 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.959 15.819 -7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.906 15.670 -4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.948 15.977 -6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.273 13.465 -5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.959 13.598 -5.412 1.00 0.00 H new TER 1461 GLU A 92