USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1057 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 Single : A 1 MET CE :methyl 156:sc= -0.256 (180deg=-1.02) USER MOD Single : A 1 MET N :NH3+ 137:sc= 1.28 (180deg=0.591) USER MOD Single : A 2 ASN : amide:sc= -0.26 K(o=-0.26,f=-4.2!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -3.44! C(o=-5.3!,f=-3.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.032) USER MOD Single : A 24 THR OG1 : rot 66:sc= 1.25 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 163:sc= 0 (180deg=-0.636) USER MOD Single : A 32 MET CE :methyl -161:sc= -0.172 (180deg=-0.774) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -123:sc= -1.8 (180deg=-6.63!) USER MOD Single : A 46 CYS SG : rot 180:sc= 0.378 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.568 USER MOD Single : A 50 ASN :FLIP amide:sc=-0.00305 F(o=-0.91,f=-0.0031) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -1.84! C(o=-1.8!,f=-4.8!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 167:sc= -2.52! (180deg=-3.23!) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.127 F(o=-0.63,f=-0.13) USER MOD Single : A 81 ASN : amide:sc= -5.58! C(o=-5.6!,f=-7.3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 160:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -0.14 F(o=-2.9,f=-0.14) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS :FLIP no HD1:sc= -0.0131 F(o=-1.3,f=-0.013) USER MOD Single : A 131 HIS : no HD1:sc= -0.223 K(o=-0.22,f=-4.6!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.046 8.258 18.536 1.00 0.00 N ATOM 2 CA MET A 1 -14.899 7.586 17.218 1.00 0.00 C ATOM 3 C MET A 1 -14.042 6.331 17.343 1.00 0.00 C ATOM 4 O MET A 1 -14.484 5.231 17.014 1.00 0.00 O ATOM 5 CB MET A 1 -14.271 8.542 16.199 1.00 0.00 C ATOM 6 CG MET A 1 -15.134 9.753 15.877 1.00 0.00 C ATOM 7 SD MET A 1 -15.202 10.944 17.231 1.00 0.00 S ATOM 8 CE MET A 1 -13.479 11.420 17.352 1.00 0.00 C ATOM 0 H1 MET A 1 -14.936 9.285 18.416 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.988 8.054 18.927 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.317 7.906 19.189 1.00 0.00 H new ATOM 0 HA MET A 1 -15.892 7.298 16.873 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.309 8.885 16.581 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.071 7.995 15.278 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.744 10.245 14.986 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.145 9.420 15.641 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.405 12.408 17.807 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.944 10.696 17.967 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.038 11.446 16.356 1.00 0.00 H new ATOM 20 N ASN A 2 -12.813 6.505 17.820 1.00 0.00 N ATOM 21 CA ASN A 2 -11.895 5.386 17.990 1.00 0.00 C ATOM 22 C ASN A 2 -11.008 5.590 19.214 1.00 0.00 C ATOM 23 O ASN A 2 -10.574 6.707 19.499 1.00 0.00 O ATOM 24 CB ASN A 2 -11.026 5.213 16.742 1.00 0.00 C ATOM 25 CG ASN A 2 -10.099 6.391 16.513 1.00 0.00 C ATOM 26 OD1 ASN A 2 -10.422 7.527 16.858 1.00 0.00 O ATOM 27 ND2 ASN A 2 -8.936 6.122 15.929 1.00 0.00 N ATOM 0 H ASN A 2 -12.431 7.410 18.095 1.00 0.00 H new ATOM 0 HA ASN A 2 -12.489 4.484 18.138 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.435 4.303 16.838 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -11.668 5.085 15.871 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.269 6.873 15.750 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.710 5.165 15.660 1.00 0.00 H new ATOM 34 N THR A 3 -10.743 4.505 19.933 1.00 0.00 N ATOM 35 CA THR A 3 -9.907 4.562 21.126 1.00 0.00 C ATOM 36 C THR A 3 -8.552 3.910 20.869 1.00 0.00 C ATOM 37 O THR A 3 -7.584 4.159 21.587 1.00 0.00 O ATOM 38 CB THR A 3 -10.588 3.869 22.321 1.00 0.00 C ATOM 39 OG1 THR A 3 -11.895 4.417 22.526 1.00 0.00 O ATOM 40 CG2 THR A 3 -9.763 4.035 23.590 1.00 0.00 C ATOM 0 H THR A 3 -11.096 3.574 19.710 1.00 0.00 H new ATOM 0 HA THR A 3 -9.761 5.615 21.368 1.00 0.00 H new ATOM 0 HB THR A 3 -10.668 2.806 22.094 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.322 3.970 23.286 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.266 3.537 24.419 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.778 3.592 23.444 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.654 5.096 23.817 1.00 0.00 H new ATOM 48 N GLU A 4 -8.493 3.079 19.834 1.00 0.00 N ATOM 49 CA GLU A 4 -7.260 2.389 19.476 1.00 0.00 C ATOM 50 C GLU A 4 -6.192 3.383 19.031 1.00 0.00 C ATOM 51 O GLU A 4 -6.380 4.122 18.065 1.00 0.00 O ATOM 52 CB GLU A 4 -7.523 1.374 18.363 1.00 0.00 C ATOM 53 CG GLU A 4 -8.618 0.373 18.697 1.00 0.00 C ATOM 54 CD GLU A 4 -8.307 -0.443 19.937 1.00 0.00 C ATOM 55 OE1 GLU A 4 -8.650 0.012 21.049 1.00 0.00 O ATOM 56 OE2 GLU A 4 -7.718 -1.536 19.797 1.00 0.00 O ATOM 0 H GLU A 4 -9.286 2.867 19.228 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.897 1.863 20.359 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.796 1.908 17.453 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.601 0.833 18.151 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.558 0.905 18.843 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.760 -0.299 17.851 1.00 0.00 H new ATOM 63 N GLU A 5 -5.069 3.395 19.743 1.00 0.00 N ATOM 64 CA GLU A 5 -3.970 4.299 19.425 1.00 0.00 C ATOM 65 C GLU A 5 -2.870 3.576 18.655 1.00 0.00 C ATOM 66 O GLU A 5 -2.775 2.350 18.693 1.00 0.00 O ATOM 67 CB GLU A 5 -3.401 4.908 20.708 1.00 0.00 C ATOM 68 CG GLU A 5 -3.033 3.876 21.761 1.00 0.00 C ATOM 69 CD GLU A 5 -2.574 4.505 23.060 1.00 0.00 C ATOM 70 OE1 GLU A 5 -3.440 4.866 23.884 1.00 0.00 O ATOM 71 OE2 GLU A 5 -1.347 4.638 23.254 1.00 0.00 O ATOM 0 H GLU A 5 -4.897 2.788 20.545 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.359 5.097 18.793 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.516 5.494 20.460 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.133 5.598 21.128 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.895 3.238 21.956 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.242 3.234 21.374 1.00 0.00 H new ATOM 78 N GLN A 6 -2.041 4.346 17.957 1.00 0.00 N ATOM 79 CA GLN A 6 -0.947 3.782 17.174 1.00 0.00 C ATOM 80 C GLN A 6 0.313 4.638 17.297 1.00 0.00 C ATOM 81 O GLN A 6 0.326 5.798 16.885 1.00 0.00 O ATOM 82 CB GLN A 6 -1.357 3.662 15.705 1.00 0.00 C ATOM 83 CG GLN A 6 -1.891 4.958 15.114 1.00 0.00 C ATOM 84 CD GLN A 6 -2.304 4.820 13.661 1.00 0.00 C ATOM 85 OE1 GLN A 6 -1.621 3.947 12.930 1.00 0.00 O flip ATOM 86 NE2 GLN A 6 -3.225 5.493 13.200 1.00 0.00 N flip ATOM 0 H GLN A 6 -2.106 5.363 17.918 1.00 0.00 H new ATOM 0 HA GLN A 6 -0.726 2.789 17.566 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.496 3.334 15.122 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.119 2.888 15.611 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -2.748 5.292 15.699 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.127 5.731 15.197 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.723 6.152 13.798 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.490 5.391 12.220 1.00 0.00 H new ATOM 95 N PRO A 7 1.393 4.077 17.871 1.00 0.00 N ATOM 96 CA PRO A 7 2.663 4.794 18.044 1.00 0.00 C ATOM 97 C PRO A 7 3.351 5.095 16.723 1.00 0.00 C ATOM 98 O PRO A 7 4.460 5.626 16.687 1.00 0.00 O ATOM 99 CB PRO A 7 3.520 3.833 18.875 1.00 0.00 C ATOM 100 CG PRO A 7 2.567 2.825 19.425 1.00 0.00 C ATOM 101 CD PRO A 7 1.463 2.715 18.416 1.00 0.00 C ATOM 0 HA PRO A 7 2.507 5.765 18.515 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.284 3.357 18.260 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.038 4.361 19.675 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.058 1.863 19.574 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.181 3.140 20.395 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.691 1.980 17.644 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.522 2.413 18.876 1.00 0.00 H new ATOM 109 N VAL A 8 2.679 4.745 15.648 1.00 0.00 N ATOM 110 CA VAL A 8 3.199 4.963 14.303 1.00 0.00 C ATOM 111 C VAL A 8 2.198 5.738 13.450 1.00 0.00 C ATOM 112 O VAL A 8 0.994 5.483 13.508 1.00 0.00 O ATOM 113 CB VAL A 8 3.530 3.630 13.605 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.304 3.872 12.320 1.00 0.00 C ATOM 115 CG2 VAL A 8 4.303 2.711 14.540 1.00 0.00 C ATOM 0 H VAL A 8 1.760 4.303 15.674 1.00 0.00 H new ATOM 0 HA VAL A 8 4.115 5.545 14.406 1.00 0.00 H new ATOM 0 HB VAL A 8 2.592 3.138 13.346 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.527 2.917 11.844 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.706 4.483 11.644 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.236 4.390 12.548 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.527 1.775 14.028 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.234 3.194 14.837 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.703 2.505 15.426 1.00 0.00 H new ATOM 125 N THR A 9 2.703 6.678 12.657 1.00 0.00 N ATOM 126 CA THR A 9 1.854 7.495 11.796 1.00 0.00 C ATOM 127 C THR A 9 2.606 7.935 10.545 1.00 0.00 C ATOM 128 O THR A 9 3.813 8.176 10.586 1.00 0.00 O ATOM 129 CB THR A 9 1.335 8.746 12.530 1.00 0.00 C ATOM 130 OG1 THR A 9 2.415 9.405 13.202 1.00 0.00 O ATOM 131 CG2 THR A 9 0.253 8.380 13.536 1.00 0.00 C ATOM 0 H THR A 9 3.698 6.893 12.593 1.00 0.00 H new ATOM 0 HA THR A 9 1.005 6.873 11.513 1.00 0.00 H new ATOM 0 HB THR A 9 0.904 9.418 11.788 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.076 10.200 13.664 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.095 9.282 14.040 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.582 7.909 13.017 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.660 7.687 14.273 1.00 0.00 H new ATOM 139 N ALA A 10 1.885 8.038 9.434 1.00 0.00 N ATOM 140 CA ALA A 10 2.482 8.451 8.170 1.00 0.00 C ATOM 141 C ALA A 10 2.372 9.960 7.980 1.00 0.00 C ATOM 142 O ALA A 10 1.876 10.672 8.854 1.00 0.00 O ATOM 143 CB ALA A 10 1.817 7.723 7.012 1.00 0.00 C ATOM 0 H ALA A 10 0.885 7.841 9.383 1.00 0.00 H new ATOM 0 HA ALA A 10 3.540 8.189 8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.272 8.040 6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.949 6.648 7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.753 7.958 6.997 1.00 0.00 H new ATOM 149 N SER A 11 2.840 10.442 6.832 1.00 0.00 N ATOM 150 CA SER A 11 2.795 11.867 6.522 1.00 0.00 C ATOM 151 C SER A 11 3.078 12.103 5.043 1.00 0.00 C ATOM 152 O SER A 11 3.839 11.363 4.423 1.00 0.00 O ATOM 153 CB SER A 11 3.811 12.628 7.375 1.00 0.00 C ATOM 154 OG SER A 11 3.715 14.026 7.158 1.00 0.00 O ATOM 0 H SER A 11 3.255 9.865 6.100 1.00 0.00 H new ATOM 0 HA SER A 11 1.795 12.235 6.749 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.643 12.408 8.429 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.819 12.288 7.136 1.00 0.00 H new ATOM 0 HG SER A 11 4.374 14.490 7.716 1.00 0.00 H new ATOM 160 N LEU A 12 2.464 13.137 4.480 1.00 0.00 N ATOM 161 CA LEU A 12 2.659 13.455 3.071 1.00 0.00 C ATOM 162 C LEU A 12 4.061 14.002 2.829 1.00 0.00 C ATOM 163 O LEU A 12 4.462 14.998 3.433 1.00 0.00 O ATOM 164 CB LEU A 12 1.610 14.463 2.599 1.00 0.00 C ATOM 165 CG LEU A 12 1.475 14.586 1.080 1.00 0.00 C ATOM 166 CD1 LEU A 12 1.093 13.245 0.466 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.449 15.651 0.721 1.00 0.00 C ATOM 0 H LEU A 12 1.831 13.766 4.974 1.00 0.00 H new ATOM 0 HA LEU A 12 2.544 12.536 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.642 14.180 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.858 15.442 3.008 1.00 0.00 H new ATOM 0 HG LEU A 12 2.440 14.887 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.002 13.353 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.863 12.508 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.140 12.914 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.366 15.725 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.519 15.380 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.765 16.612 1.127 1.00 0.00 H new ATOM 179 N VAL A 13 4.801 13.346 1.941 1.00 0.00 N ATOM 180 CA VAL A 13 6.163 13.759 1.622 1.00 0.00 C ATOM 181 C VAL A 13 6.175 14.840 0.545 1.00 0.00 C ATOM 182 O VAL A 13 5.249 14.937 -0.261 1.00 0.00 O ATOM 183 CB VAL A 13 7.011 12.565 1.142 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.487 12.932 1.119 1.00 0.00 C ATOM 185 CG2 VAL A 13 6.776 11.353 2.031 1.00 0.00 C ATOM 0 H VAL A 13 4.480 12.525 1.429 1.00 0.00 H new ATOM 0 HA VAL A 13 6.594 14.160 2.539 1.00 0.00 H new ATOM 0 HB VAL A 13 6.705 12.312 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.069 12.076 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.643 13.771 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.808 13.212 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.383 10.519 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.054 11.595 3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.723 11.075 1.997 1.00 0.00 H new ATOM 195 N ALA A 14 7.229 15.654 0.543 1.00 0.00 N ATOM 196 CA ALA A 14 7.371 16.729 -0.435 1.00 0.00 C ATOM 197 C ALA A 14 7.192 16.203 -1.855 1.00 0.00 C ATOM 198 O ALA A 14 7.427 15.026 -2.125 1.00 0.00 O ATOM 199 CB ALA A 14 8.727 17.402 -0.286 1.00 0.00 C ATOM 0 H ALA A 14 7.998 15.589 1.210 1.00 0.00 H new ATOM 0 HA ALA A 14 6.590 17.466 -0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.819 18.201 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.818 17.819 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.517 16.668 -0.447 1.00 0.00 H new ATOM 205 N GLU A 15 6.778 17.084 -2.761 1.00 0.00 N ATOM 206 CA GLU A 15 6.561 16.704 -4.153 1.00 0.00 C ATOM 207 C GLU A 15 7.884 16.558 -4.901 1.00 0.00 C ATOM 208 O GLU A 15 7.976 15.810 -5.874 1.00 0.00 O ATOM 209 CB GLU A 15 5.679 17.739 -4.855 1.00 0.00 C ATOM 210 CG GLU A 15 6.322 19.112 -4.966 1.00 0.00 C ATOM 211 CD GLU A 15 5.460 20.101 -5.726 1.00 0.00 C ATOM 212 OE1 GLU A 15 5.518 20.102 -6.974 1.00 0.00 O ATOM 213 OE2 GLU A 15 4.727 20.873 -5.075 1.00 0.00 O ATOM 0 H GLU A 15 6.586 18.065 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 15 6.057 15.738 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.436 17.379 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.738 17.830 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.517 19.499 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.286 19.018 -5.465 1.00 0.00 H new ATOM 220 N ALA A 16 8.904 17.277 -4.442 1.00 0.00 N ATOM 221 CA ALA A 16 10.216 17.231 -5.077 1.00 0.00 C ATOM 222 C ALA A 16 11.117 16.189 -4.420 1.00 0.00 C ATOM 223 O ALA A 16 12.228 15.937 -4.886 1.00 0.00 O ATOM 224 CB ALA A 16 10.872 18.602 -5.029 1.00 0.00 C ATOM 0 H ALA A 16 8.847 17.897 -3.634 1.00 0.00 H new ATOM 0 HA ALA A 16 10.074 16.941 -6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.851 18.554 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.247 19.323 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.989 18.913 -3.991 1.00 0.00 H new ATOM 230 N GLN A 17 10.634 15.588 -3.338 1.00 0.00 N ATOM 231 CA GLN A 17 11.403 14.576 -2.619 1.00 0.00 C ATOM 232 C GLN A 17 10.738 13.208 -2.727 1.00 0.00 C ATOM 233 O GLN A 17 11.384 12.177 -2.539 1.00 0.00 O ATOM 234 CB GLN A 17 11.548 14.974 -1.150 1.00 0.00 C ATOM 235 CG GLN A 17 12.257 16.302 -0.952 1.00 0.00 C ATOM 236 CD GLN A 17 13.726 16.235 -1.318 1.00 0.00 C ATOM 237 OE1 GLN A 17 14.583 16.023 -0.459 1.00 0.00 O ATOM 238 NE2 GLN A 17 14.024 16.398 -2.602 1.00 0.00 N ATOM 0 H GLN A 17 9.716 15.783 -2.939 1.00 0.00 H new ATOM 0 HA GLN A 17 12.392 14.512 -3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.558 15.028 -0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.098 14.195 -0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.769 17.065 -1.559 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.159 16.611 0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.282 16.572 -3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.995 16.349 -2.910 1.00 0.00 H new ATOM 247 N ARG A 18 9.445 13.209 -3.032 1.00 0.00 N ATOM 248 CA ARG A 18 8.692 11.968 -3.167 1.00 0.00 C ATOM 249 C ARG A 18 9.116 11.219 -4.425 1.00 0.00 C ATOM 250 O ARG A 18 8.849 10.027 -4.573 1.00 0.00 O ATOM 251 CB ARG A 18 7.190 12.256 -3.207 1.00 0.00 C ATOM 252 CG ARG A 18 6.760 13.086 -4.404 1.00 0.00 C ATOM 253 CD ARG A 18 5.273 13.395 -4.364 1.00 0.00 C ATOM 254 NE ARG A 18 4.464 12.180 -4.405 1.00 0.00 N ATOM 255 CZ ARG A 18 3.216 12.140 -4.860 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.632 13.245 -5.304 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.551 10.993 -4.870 1.00 0.00 N ATOM 0 H ARG A 18 8.897 14.055 -3.190 1.00 0.00 H new ATOM 0 HA ARG A 18 8.906 11.342 -2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.648 11.311 -3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.904 12.777 -2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.326 14.018 -4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.996 12.550 -5.323 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.043 13.954 -3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.012 14.034 -5.208 1.00 0.00 H new ATOM 0 HE ARG A 18 4.880 11.313 -4.065 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.141 14.129 -5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.674 13.211 -5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.997 10.142 -4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.593 10.962 -5.219 1.00 0.00 H new ATOM 271 N LEU A 19 9.781 11.933 -5.329 1.00 0.00 N ATOM 272 CA LEU A 19 10.251 11.345 -6.576 1.00 0.00 C ATOM 273 C LEU A 19 11.415 10.396 -6.317 1.00 0.00 C ATOM 274 O LEU A 19 11.675 9.484 -7.102 1.00 0.00 O ATOM 275 CB LEU A 19 10.668 12.446 -7.553 1.00 0.00 C ATOM 276 CG LEU A 19 11.643 13.482 -6.985 1.00 0.00 C ATOM 277 CD1 LEU A 19 13.081 13.001 -7.120 1.00 0.00 C ATOM 278 CD2 LEU A 19 11.454 14.825 -7.675 1.00 0.00 C ATOM 0 H LEU A 19 10.006 12.922 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 19 9.436 10.773 -7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.124 11.981 -8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.772 12.963 -7.898 1.00 0.00 H new ATOM 0 HG LEU A 19 11.429 13.610 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.756 13.752 -6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.205 12.066 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.313 12.840 -8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.154 15.549 -7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.638 14.714 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.434 15.175 -7.517 1.00 0.00 H new ATOM 290 N ASP A 20 12.114 10.620 -5.208 1.00 0.00 N ATOM 291 CA ASP A 20 13.250 9.786 -4.837 1.00 0.00 C ATOM 292 C ASP A 20 12.925 8.961 -3.599 1.00 0.00 C ATOM 293 O ASP A 20 13.693 8.084 -3.203 1.00 0.00 O ATOM 294 CB ASP A 20 14.485 10.649 -4.578 1.00 0.00 C ATOM 295 CG ASP A 20 15.760 9.832 -4.511 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.287 9.468 -5.583 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.233 9.558 -3.389 1.00 0.00 O ATOM 0 H ASP A 20 11.912 11.373 -4.551 1.00 0.00 H new ATOM 0 HA ASP A 20 13.461 9.109 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.576 11.394 -5.368 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.355 11.192 -3.642 1.00 0.00 H new ATOM 302 N PHE A 21 11.781 9.252 -2.987 1.00 0.00 N ATOM 303 CA PHE A 21 11.349 8.535 -1.796 1.00 0.00 C ATOM 304 C PHE A 21 11.168 7.052 -2.102 1.00 0.00 C ATOM 305 O PHE A 21 11.357 6.202 -1.233 1.00 0.00 O ATOM 306 CB PHE A 21 10.043 9.124 -1.260 1.00 0.00 C ATOM 307 CG PHE A 21 9.761 8.751 0.167 1.00 0.00 C ATOM 308 CD1 PHE A 21 9.077 7.585 0.472 1.00 0.00 C ATOM 309 CD2 PHE A 21 10.182 9.568 1.205 1.00 0.00 C ATOM 310 CE1 PHE A 21 8.818 7.242 1.786 1.00 0.00 C ATOM 311 CE2 PHE A 21 9.926 9.228 2.520 1.00 0.00 C ATOM 312 CZ PHE A 21 9.243 8.064 2.810 1.00 0.00 C ATOM 0 H PHE A 21 11.138 9.980 -3.298 1.00 0.00 H new ATOM 0 HA PHE A 21 12.120 8.643 -1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.082 10.210 -1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.217 8.786 -1.886 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.743 6.937 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.716 10.480 0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.283 6.331 2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.260 9.872 3.320 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.041 7.797 3.837 1.00 0.00 H new ATOM 322 N LEU A 22 10.799 6.748 -3.345 1.00 0.00 N ATOM 323 CA LEU A 22 10.606 5.364 -3.762 1.00 0.00 C ATOM 324 C LEU A 22 11.943 4.625 -3.811 1.00 0.00 C ATOM 325 O LEU A 22 12.109 3.608 -3.143 1.00 0.00 O ATOM 326 CB LEU A 22 9.904 5.297 -5.123 1.00 0.00 C ATOM 327 CG LEU A 22 8.409 4.981 -5.065 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.183 3.600 -4.465 1.00 0.00 C ATOM 329 CD2 LEU A 22 7.669 6.043 -4.267 1.00 0.00 C ATOM 0 H LEU A 22 10.629 7.439 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 22 9.968 4.874 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.039 6.252 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.397 4.539 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 22 8.014 4.983 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.114 3.389 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.681 2.850 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.592 3.571 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.607 5.801 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.063 6.075 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.806 7.015 -4.740 1.00 0.00 H new ATOM 341 N PRO A 23 12.918 5.120 -4.600 1.00 0.00 N ATOM 342 CA PRO A 23 14.239 4.488 -4.694 1.00 0.00 C ATOM 343 C PRO A 23 15.007 4.586 -3.380 1.00 0.00 C ATOM 344 O PRO A 23 16.088 4.016 -3.233 1.00 0.00 O ATOM 345 CB PRO A 23 14.950 5.292 -5.788 1.00 0.00 C ATOM 346 CG PRO A 23 14.244 6.604 -5.824 1.00 0.00 C ATOM 347 CD PRO A 23 12.817 6.312 -5.464 1.00 0.00 C ATOM 0 HA PRO A 23 14.169 3.423 -4.915 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.008 5.419 -5.559 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.891 4.786 -6.751 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.689 7.307 -5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.313 7.058 -6.813 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.355 7.149 -4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.211 6.116 -6.349 1.00 0.00 H new ATOM 355 N THR A 24 14.434 5.314 -2.427 1.00 0.00 N ATOM 356 CA THR A 24 15.055 5.508 -1.123 1.00 0.00 C ATOM 357 C THR A 24 14.551 4.504 -0.082 1.00 0.00 C ATOM 358 O THR A 24 15.345 3.885 0.625 1.00 0.00 O ATOM 359 CB THR A 24 14.806 6.937 -0.605 1.00 0.00 C ATOM 360 OG1 THR A 24 15.535 7.880 -1.401 1.00 0.00 O ATOM 361 CG2 THR A 24 15.220 7.074 0.850 1.00 0.00 C ATOM 0 H THR A 24 13.534 5.782 -2.536 1.00 0.00 H new ATOM 0 HA THR A 24 16.124 5.346 -1.264 1.00 0.00 H new ATOM 0 HB THR A 24 13.738 7.141 -0.680 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.180 7.881 -2.314 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.032 8.093 1.187 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.643 6.378 1.459 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.282 6.849 0.949 1.00 0.00 H new ATOM 369 N TYR A 25 13.233 4.346 0.010 1.00 0.00 N ATOM 370 CA TYR A 25 12.642 3.433 0.987 1.00 0.00 C ATOM 371 C TYR A 25 12.239 2.101 0.360 1.00 0.00 C ATOM 372 O TYR A 25 12.340 1.053 0.998 1.00 0.00 O ATOM 373 CB TYR A 25 11.427 4.082 1.653 1.00 0.00 C ATOM 374 CG TYR A 25 11.786 5.034 2.772 1.00 0.00 C ATOM 375 CD1 TYR A 25 12.297 6.296 2.501 1.00 0.00 C ATOM 376 CD2 TYR A 25 11.613 4.668 4.101 1.00 0.00 C ATOM 377 CE1 TYR A 25 12.628 7.168 3.521 1.00 0.00 C ATOM 378 CE2 TYR A 25 11.940 5.533 5.128 1.00 0.00 C ATOM 379 CZ TYR A 25 12.447 6.781 4.833 1.00 0.00 C ATOM 380 OH TYR A 25 12.775 7.645 5.852 1.00 0.00 O ATOM 0 H TYR A 25 12.556 4.835 -0.576 1.00 0.00 H new ATOM 0 HA TYR A 25 13.405 3.228 1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.854 4.621 0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.778 3.300 2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 25 12.438 6.602 1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.216 3.691 4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.026 8.146 3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.799 5.233 6.156 1.00 0.00 H new ATOM 0 HH TYR A 25 12.586 7.220 6.715 1.00 0.00 H new ATOM 390 N PHE A 26 11.785 2.142 -0.887 1.00 0.00 N ATOM 391 CA PHE A 26 11.368 0.933 -1.584 1.00 0.00 C ATOM 392 C PHE A 26 12.553 0.300 -2.305 1.00 0.00 C ATOM 393 O PHE A 26 12.709 -0.922 -2.313 1.00 0.00 O ATOM 394 CB PHE A 26 10.253 1.255 -2.582 1.00 0.00 C ATOM 395 CG PHE A 26 9.034 0.391 -2.425 1.00 0.00 C ATOM 396 CD1 PHE A 26 8.367 0.323 -1.212 1.00 0.00 C ATOM 397 CD2 PHE A 26 8.553 -0.349 -3.492 1.00 0.00 C ATOM 398 CE1 PHE A 26 7.245 -0.469 -1.067 1.00 0.00 C ATOM 399 CE2 PHE A 26 7.429 -1.143 -3.353 1.00 0.00 C ATOM 400 CZ PHE A 26 6.775 -1.202 -2.139 1.00 0.00 C ATOM 0 H PHE A 26 11.697 2.998 -1.435 1.00 0.00 H new ATOM 0 HA PHE A 26 10.987 0.223 -0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.964 2.300 -2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 26 10.640 1.142 -3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.729 0.896 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.061 -0.306 -4.444 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.735 -0.515 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.064 -1.716 -4.193 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.897 -1.821 -2.027 1.00 0.00 H new ATOM 410 N GLY A 27 13.384 1.143 -2.907 1.00 0.00 N ATOM 411 CA GLY A 27 14.550 0.659 -3.619 1.00 0.00 C ATOM 412 C GLY A 27 14.665 1.261 -5.004 1.00 0.00 C ATOM 413 O GLY A 27 13.652 1.477 -5.668 1.00 0.00 O ATOM 0 H GLY A 27 13.270 2.157 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.447 0.895 -3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.500 -0.427 -3.700 1.00 0.00 H new ATOM 417 N PRO A 28 15.891 1.549 -5.473 1.00 0.00 N ATOM 418 CA PRO A 28 16.108 2.131 -6.800 1.00 0.00 C ATOM 419 C PRO A 28 15.471 1.291 -7.897 1.00 0.00 C ATOM 420 O PRO A 28 15.206 1.781 -8.994 1.00 0.00 O ATOM 421 CB PRO A 28 17.636 2.154 -6.953 1.00 0.00 C ATOM 422 CG PRO A 28 18.157 1.260 -5.876 1.00 0.00 C ATOM 423 CD PRO A 28 17.157 1.329 -4.760 1.00 0.00 C ATOM 0 HA PRO A 28 15.655 3.119 -6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.937 1.799 -7.938 1.00 0.00 H new ATOM 0 HB3 PRO A 28 18.026 3.166 -6.846 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.268 0.238 -6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.141 1.588 -5.539 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.138 0.409 -4.176 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.378 2.141 -4.068 1.00 0.00 H new ATOM 431 N ARG A 29 15.245 0.018 -7.597 1.00 0.00 N ATOM 432 CA ARG A 29 14.630 -0.892 -8.550 1.00 0.00 C ATOM 433 C ARG A 29 13.119 -0.971 -8.346 1.00 0.00 C ATOM 434 O ARG A 29 12.352 -0.857 -9.302 1.00 0.00 O ATOM 435 CB ARG A 29 15.246 -2.289 -8.425 1.00 0.00 C ATOM 436 CG ARG A 29 14.510 -3.359 -9.216 1.00 0.00 C ATOM 437 CD ARG A 29 14.488 -3.043 -10.704 1.00 0.00 C ATOM 438 NE ARG A 29 13.600 -3.940 -11.441 1.00 0.00 N ATOM 439 CZ ARG A 29 13.538 -3.989 -12.768 1.00 0.00 C ATOM 440 NH1 ARG A 29 14.313 -3.201 -13.502 1.00 0.00 N ATOM 441 NH2 ARG A 29 12.701 -4.828 -13.362 1.00 0.00 N ATOM 0 H ARG A 29 15.479 -0.406 -6.700 1.00 0.00 H new ATOM 0 HA ARG A 29 14.819 -0.504 -9.551 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.282 -2.250 -8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.263 -2.575 -7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.990 -4.325 -9.056 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.488 -3.446 -8.847 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.166 -2.012 -10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.498 -3.121 -11.106 1.00 0.00 H new ATOM 0 HE ARG A 29 12.994 -4.563 -10.907 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.959 -2.555 -13.048 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.263 -3.241 -14.520 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.104 -5.436 -12.801 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.653 -4.866 -14.380 1.00 0.00 H new ATOM 455 N LEU A 30 12.693 -1.167 -7.100 1.00 0.00 N ATOM 456 CA LEU A 30 11.277 -1.284 -6.771 1.00 0.00 C ATOM 457 C LEU A 30 10.511 0.008 -7.016 1.00 0.00 C ATOM 458 O LEU A 30 9.297 -0.013 -7.162 1.00 0.00 O ATOM 459 CB LEU A 30 11.116 -1.683 -5.302 1.00 0.00 C ATOM 460 CG LEU A 30 11.518 -3.120 -4.954 1.00 0.00 C ATOM 461 CD1 LEU A 30 13.014 -3.323 -5.146 1.00 0.00 C ATOM 462 CD2 LEU A 30 11.121 -3.440 -3.521 1.00 0.00 C ATOM 0 H LEU A 30 13.316 -1.249 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 30 10.862 -2.049 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.710 -1.002 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.074 -1.538 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 30 10.993 -3.798 -5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.277 -4.350 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.277 -3.126 -6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.560 -2.638 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.411 -4.463 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.625 -2.753 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.042 -3.333 -3.410 1.00 0.00 H new ATOM 474 N MET A 31 11.207 1.132 -7.013 1.00 0.00 N ATOM 475 CA MET A 31 10.563 2.423 -7.234 1.00 0.00 C ATOM 476 C MET A 31 9.467 2.344 -8.293 1.00 0.00 C ATOM 477 O MET A 31 8.418 2.973 -8.152 1.00 0.00 O ATOM 478 CB MET A 31 11.604 3.464 -7.629 1.00 0.00 C ATOM 479 CG MET A 31 12.568 2.966 -8.690 1.00 0.00 C ATOM 480 SD MET A 31 12.451 3.901 -10.229 1.00 0.00 S ATOM 481 CE MET A 31 13.495 2.919 -11.303 1.00 0.00 C ATOM 0 H MET A 31 12.214 1.181 -6.861 1.00 0.00 H new ATOM 0 HA MET A 31 10.089 2.719 -6.298 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.097 4.356 -7.997 1.00 0.00 H new ATOM 0 HB3 MET A 31 12.168 3.760 -6.744 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.587 3.029 -8.308 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.368 1.914 -8.892 1.00 0.00 H new ATOM 0 HE1 MET A 31 13.294 3.178 -12.342 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.542 3.120 -11.075 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.286 1.861 -11.146 1.00 0.00 H new ATOM 491 N MET A 32 9.706 1.574 -9.348 1.00 0.00 N ATOM 492 CA MET A 32 8.724 1.420 -10.414 1.00 0.00 C ATOM 493 C MET A 32 8.063 0.050 -10.337 1.00 0.00 C ATOM 494 O MET A 32 6.853 -0.081 -10.522 1.00 0.00 O ATOM 495 CB MET A 32 9.386 1.610 -11.780 1.00 0.00 C ATOM 496 CG MET A 32 10.422 0.547 -12.109 1.00 0.00 C ATOM 497 SD MET A 32 11.163 0.775 -13.737 1.00 0.00 S ATOM 498 CE MET A 32 9.728 0.588 -14.793 1.00 0.00 C ATOM 0 H MET A 32 10.569 1.048 -9.488 1.00 0.00 H new ATOM 0 HA MET A 32 7.957 2.184 -10.287 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.616 1.605 -12.551 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.862 2.590 -11.810 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.206 0.564 -11.352 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.955 -0.437 -12.062 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.051 0.366 -15.810 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.108 -0.228 -14.423 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.151 1.513 -14.790 1.00 0.00 H new ATOM 508 N ARG A 33 8.870 -0.970 -10.062 1.00 0.00 N ATOM 509 CA ARG A 33 8.374 -2.334 -9.955 1.00 0.00 C ATOM 510 C ARG A 33 7.431 -2.480 -8.766 1.00 0.00 C ATOM 511 O ARG A 33 6.699 -3.464 -8.660 1.00 0.00 O ATOM 512 CB ARG A 33 9.542 -3.311 -9.810 1.00 0.00 C ATOM 513 CG ARG A 33 10.505 -3.284 -10.985 1.00 0.00 C ATOM 514 CD ARG A 33 9.857 -3.811 -12.254 1.00 0.00 C ATOM 515 NE ARG A 33 9.407 -5.193 -12.103 1.00 0.00 N ATOM 516 CZ ARG A 33 9.200 -6.017 -13.126 1.00 0.00 C ATOM 517 NH1 ARG A 33 9.399 -5.600 -14.369 1.00 0.00 N ATOM 518 NH2 ARG A 33 8.794 -7.260 -12.905 1.00 0.00 N ATOM 0 H ARG A 33 9.874 -0.875 -9.909 1.00 0.00 H new ATOM 0 HA ARG A 33 7.822 -2.565 -10.866 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.089 -3.078 -8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.148 -4.321 -9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.850 -2.263 -11.149 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.384 -3.884 -10.749 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.008 -3.180 -12.517 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.568 -3.749 -13.078 1.00 0.00 H new ATOM 0 HE ARG A 33 9.242 -5.545 -11.160 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.712 -4.645 -14.543 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.239 -6.235 -15.152 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.640 -7.584 -11.950 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.635 -7.892 -13.690 1.00 0.00 H new ATOM 532 N GLY A 34 7.454 -1.495 -7.872 1.00 0.00 N ATOM 533 CA GLY A 34 6.602 -1.539 -6.701 1.00 0.00 C ATOM 534 C GLY A 34 5.430 -0.586 -6.804 1.00 0.00 C ATOM 535 O GLY A 34 4.302 -0.949 -6.476 1.00 0.00 O ATOM 0 H GLY A 34 8.048 -0.668 -7.939 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.230 -2.554 -6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.191 -1.293 -5.817 1.00 0.00 H new ATOM 539 N GLU A 35 5.695 0.635 -7.260 1.00 0.00 N ATOM 540 CA GLU A 35 4.642 1.631 -7.405 1.00 0.00 C ATOM 541 C GLU A 35 3.535 1.088 -8.295 1.00 0.00 C ATOM 542 O GLU A 35 2.356 1.368 -8.083 1.00 0.00 O ATOM 543 CB GLU A 35 5.198 2.932 -7.992 1.00 0.00 C ATOM 544 CG GLU A 35 5.682 2.801 -9.428 1.00 0.00 C ATOM 545 CD GLU A 35 6.167 4.116 -10.002 1.00 0.00 C ATOM 546 OE1 GLU A 35 5.328 5.020 -10.208 1.00 0.00 O ATOM 547 OE2 GLU A 35 7.385 4.245 -10.250 1.00 0.00 O ATOM 0 H GLU A 35 6.624 0.956 -7.533 1.00 0.00 H new ATOM 0 HA GLU A 35 4.235 1.849 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.425 3.699 -7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.024 3.276 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.490 2.071 -9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.872 2.416 -10.047 1.00 0.00 H new ATOM 554 N ALA A 36 3.929 0.305 -9.294 1.00 0.00 N ATOM 555 CA ALA A 36 2.970 -0.295 -10.215 1.00 0.00 C ATOM 556 C ALA A 36 2.274 -1.495 -9.575 1.00 0.00 C ATOM 557 O ALA A 36 1.115 -1.786 -9.868 1.00 0.00 O ATOM 558 CB ALA A 36 3.665 -0.710 -11.503 1.00 0.00 C ATOM 0 H ALA A 36 4.903 0.071 -9.486 1.00 0.00 H new ATOM 0 HA ALA A 36 2.211 0.451 -10.450 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.938 -1.156 -12.181 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.111 0.166 -11.974 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.445 -1.437 -11.278 1.00 0.00 H new ATOM 564 N LEU A 37 2.997 -2.191 -8.705 1.00 0.00 N ATOM 565 CA LEU A 37 2.466 -3.362 -8.023 1.00 0.00 C ATOM 566 C LEU A 37 1.348 -2.999 -7.048 1.00 0.00 C ATOM 567 O LEU A 37 0.357 -3.718 -6.935 1.00 0.00 O ATOM 568 CB LEU A 37 3.588 -4.071 -7.269 1.00 0.00 C ATOM 569 CG LEU A 37 3.509 -5.596 -7.280 1.00 0.00 C ATOM 570 CD1 LEU A 37 3.831 -6.141 -8.663 1.00 0.00 C ATOM 571 CD2 LEU A 37 4.440 -6.189 -6.233 1.00 0.00 C ATOM 0 H LEU A 37 3.959 -1.961 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 37 2.046 -4.022 -8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.543 -3.768 -7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.582 -3.729 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 37 2.489 -5.888 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.769 -7.229 -8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.116 -5.746 -9.385 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.839 -5.839 -8.948 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.369 -7.276 -6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.466 -5.888 -6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.153 -5.828 -5.245 1.00 0.00 H new ATOM 583 N VAL A 38 1.506 -1.877 -6.351 1.00 0.00 N ATOM 584 CA VAL A 38 0.511 -1.449 -5.372 1.00 0.00 C ATOM 585 C VAL A 38 -0.785 -1.018 -6.049 1.00 0.00 C ATOM 586 O VAL A 38 -1.875 -1.268 -5.534 1.00 0.00 O ATOM 587 CB VAL A 38 1.033 -0.294 -4.492 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.458 -0.570 -4.047 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.953 1.034 -5.227 1.00 0.00 C ATOM 0 H VAL A 38 2.307 -1.252 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 38 0.313 -2.312 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 38 0.397 -0.228 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.812 0.254 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.487 -1.495 -3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.100 -0.667 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.327 1.830 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.558 0.986 -6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.084 1.240 -5.493 1.00 0.00 H new ATOM 599 N TYR A 39 -0.662 -0.373 -7.203 1.00 0.00 N ATOM 600 CA TYR A 39 -1.830 0.094 -7.939 1.00 0.00 C ATOM 601 C TYR A 39 -2.476 -1.049 -8.716 1.00 0.00 C ATOM 602 O TYR A 39 -3.669 -1.011 -9.017 1.00 0.00 O ATOM 603 CB TYR A 39 -1.438 1.245 -8.872 1.00 0.00 C ATOM 604 CG TYR A 39 -1.524 0.925 -10.349 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.439 0.386 -11.025 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.689 1.169 -11.066 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.510 0.099 -12.374 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.769 0.884 -12.415 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.676 0.349 -13.064 1.00 0.00 C ATOM 610 OH TYR A 39 -1.751 0.065 -14.409 1.00 0.00 O ATOM 0 H TYR A 39 0.231 -0.162 -7.648 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.567 0.464 -7.226 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.082 2.099 -8.662 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.418 1.550 -8.640 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.476 0.188 -10.487 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.546 1.588 -10.560 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.344 -0.319 -12.886 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.682 1.079 -12.958 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.642 0.299 -14.744 1.00 0.00 H new ATOM 620 N ALA A 40 -1.682 -2.066 -9.039 1.00 0.00 N ATOM 621 CA ALA A 40 -2.187 -3.222 -9.768 1.00 0.00 C ATOM 622 C ALA A 40 -3.234 -3.955 -8.940 1.00 0.00 C ATOM 623 O ALA A 40 -4.257 -4.401 -9.460 1.00 0.00 O ATOM 624 CB ALA A 40 -1.047 -4.158 -10.139 1.00 0.00 C ATOM 0 H ALA A 40 -0.690 -2.112 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.657 -2.873 -10.688 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.443 -5.016 -10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.331 -3.628 -10.768 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.549 -4.502 -9.233 1.00 0.00 H new ATOM 630 N TRP A 41 -2.965 -4.083 -7.645 1.00 0.00 N ATOM 631 CA TRP A 41 -3.888 -4.749 -6.735 1.00 0.00 C ATOM 632 C TRP A 41 -5.176 -3.949 -6.588 1.00 0.00 C ATOM 633 O TRP A 41 -6.254 -4.516 -6.416 1.00 0.00 O ATOM 634 CB TRP A 41 -3.246 -4.940 -5.361 1.00 0.00 C ATOM 635 CG TRP A 41 -2.196 -6.009 -5.328 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.843 -5.831 -5.313 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.416 -7.424 -5.302 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.207 -7.048 -5.280 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.151 -8.042 -5.273 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.558 -8.228 -5.300 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -0.999 -9.425 -5.243 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.405 -9.601 -5.270 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.135 -10.188 -5.241 1.00 0.00 C ATOM 0 H TRP A 41 -2.115 -3.734 -7.202 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.125 -5.725 -7.158 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.801 -3.997 -5.044 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.024 -5.185 -4.638 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.345 -4.873 -5.325 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.803 -7.189 -5.263 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.543 -7.785 -5.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.020 -9.880 -5.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.281 -10.232 -5.269 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.050 -11.264 -5.217 1.00 0.00 H new ATOM 654 N MET A 42 -5.055 -2.626 -6.657 1.00 0.00 N ATOM 655 CA MET A 42 -6.209 -1.746 -6.515 1.00 0.00 C ATOM 656 C MET A 42 -7.238 -1.982 -7.621 1.00 0.00 C ATOM 657 O MET A 42 -8.427 -2.136 -7.345 1.00 0.00 O ATOM 658 CB MET A 42 -5.763 -0.284 -6.520 1.00 0.00 C ATOM 659 CG MET A 42 -6.912 0.699 -6.382 1.00 0.00 C ATOM 660 SD MET A 42 -7.907 0.411 -4.905 1.00 0.00 S ATOM 661 CE MET A 42 -6.737 0.831 -3.617 1.00 0.00 C ATOM 0 H MET A 42 -4.171 -2.141 -6.810 1.00 0.00 H new ATOM 0 HA MET A 42 -6.684 -1.976 -5.561 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.058 -0.124 -5.704 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.228 -0.078 -7.447 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.514 1.714 -6.354 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.550 0.631 -7.263 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.615 -0.018 -2.945 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.775 1.079 -4.066 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.107 1.688 -3.055 1.00 0.00 H new ATOM 671 N ARG A 43 -6.779 -2.009 -8.869 1.00 0.00 N ATOM 672 CA ARG A 43 -7.679 -2.220 -10.001 1.00 0.00 C ATOM 673 C ARG A 43 -8.297 -3.616 -9.961 1.00 0.00 C ATOM 674 O ARG A 43 -9.268 -3.893 -10.667 1.00 0.00 O ATOM 675 CB ARG A 43 -6.946 -1.987 -11.327 1.00 0.00 C ATOM 676 CG ARG A 43 -5.677 -2.809 -11.492 1.00 0.00 C ATOM 677 CD ARG A 43 -5.974 -4.209 -12.002 1.00 0.00 C ATOM 678 NE ARG A 43 -4.755 -4.984 -12.217 1.00 0.00 N ATOM 679 CZ ARG A 43 -4.737 -6.201 -12.752 1.00 0.00 C ATOM 680 NH1 ARG A 43 -5.870 -6.781 -13.124 1.00 0.00 N ATOM 681 NH2 ARG A 43 -3.586 -6.838 -12.915 1.00 0.00 N ATOM 0 H ARG A 43 -5.798 -1.889 -9.122 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.489 -1.494 -9.925 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.624 -2.217 -12.149 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.694 -0.930 -11.409 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.005 -2.304 -12.186 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.158 -2.873 -10.535 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.612 -4.728 -11.286 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.531 -4.144 -12.936 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.866 -4.567 -11.941 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.757 -6.293 -13.000 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.854 -7.715 -13.534 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.713 -6.395 -12.630 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.574 -7.772 -13.326 1.00 0.00 H new ATOM 695 N ARG A 44 -7.730 -4.491 -9.135 1.00 0.00 N ATOM 696 CA ARG A 44 -8.242 -5.851 -8.992 1.00 0.00 C ATOM 697 C ARG A 44 -9.423 -5.870 -8.026 1.00 0.00 C ATOM 698 O ARG A 44 -10.243 -6.788 -8.040 1.00 0.00 O ATOM 699 CB ARG A 44 -7.145 -6.789 -8.483 1.00 0.00 C ATOM 700 CG ARG A 44 -6.079 -7.111 -9.518 1.00 0.00 C ATOM 701 CD ARG A 44 -5.047 -8.080 -8.960 1.00 0.00 C ATOM 702 NE ARG A 44 -4.141 -8.575 -9.994 1.00 0.00 N ATOM 703 CZ ARG A 44 -3.369 -9.648 -9.844 1.00 0.00 C ATOM 704 NH1 ARG A 44 -3.390 -10.330 -8.707 1.00 0.00 N ATOM 705 NH2 ARG A 44 -2.575 -10.038 -10.830 1.00 0.00 N ATOM 0 H ARG A 44 -6.917 -4.283 -8.555 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.573 -6.196 -9.971 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.668 -6.336 -7.614 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.603 -7.719 -8.147 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.546 -7.543 -10.403 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.586 -6.192 -9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.469 -7.584 -8.180 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.557 -8.922 -8.492 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.098 -8.070 -10.879 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.999 -10.032 -7.945 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.797 -11.152 -8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.555 -9.515 -11.706 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.984 -10.861 -10.713 1.00 0.00 H new ATOM 719 N LEU A 45 -9.494 -4.841 -7.190 1.00 0.00 N ATOM 720 CA LEU A 45 -10.560 -4.715 -6.206 1.00 0.00 C ATOM 721 C LEU A 45 -11.820 -4.111 -6.818 1.00 0.00 C ATOM 722 O LEU A 45 -12.920 -4.320 -6.316 1.00 0.00 O ATOM 723 CB LEU A 45 -10.102 -3.850 -5.038 1.00 0.00 C ATOM 724 CG LEU A 45 -8.649 -4.054 -4.602 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.264 -3.034 -3.543 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.441 -5.469 -4.081 1.00 0.00 C ATOM 0 H LEU A 45 -8.819 -4.076 -7.175 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.796 -5.718 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.239 -2.803 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.751 -4.048 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.005 -3.910 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.228 -3.193 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.374 -2.029 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.914 -3.148 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.402 -5.595 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.094 -5.641 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.677 -6.185 -4.868 1.00 0.00 H new ATOM 738 N CYS A 46 -11.655 -3.347 -7.891 1.00 0.00 N ATOM 739 CA CYS A 46 -12.789 -2.724 -8.568 1.00 0.00 C ATOM 740 C CYS A 46 -12.668 -2.885 -10.082 1.00 0.00 C ATOM 741 O CYS A 46 -11.658 -2.508 -10.676 1.00 0.00 O ATOM 742 CB CYS A 46 -12.882 -1.241 -8.209 1.00 0.00 C ATOM 743 SG CYS A 46 -14.196 -0.351 -9.075 1.00 0.00 S ATOM 0 H CYS A 46 -10.748 -3.143 -8.312 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.698 -3.225 -8.233 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.042 -1.148 -7.135 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.927 -0.764 -8.432 1.00 0.00 H new ATOM 0 HG CYS A 46 -14.195 0.895 -8.703 1.00 0.00 H new ATOM 749 N GLU A 47 -13.705 -3.444 -10.699 1.00 0.00 N ATOM 750 CA GLU A 47 -13.716 -3.657 -12.143 1.00 0.00 C ATOM 751 C GLU A 47 -13.821 -2.329 -12.884 1.00 0.00 C ATOM 752 O GLU A 47 -13.491 -2.234 -14.067 1.00 0.00 O ATOM 753 CB GLU A 47 -14.882 -4.562 -12.540 1.00 0.00 C ATOM 754 CG GLU A 47 -16.238 -3.893 -12.399 1.00 0.00 C ATOM 755 CD GLU A 47 -16.656 -3.711 -10.953 1.00 0.00 C ATOM 756 OE1 GLU A 47 -17.187 -4.676 -10.363 1.00 0.00 O ATOM 757 OE2 GLU A 47 -16.452 -2.605 -10.410 1.00 0.00 O ATOM 0 H GLU A 47 -14.550 -3.758 -10.221 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.779 -4.140 -12.420 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.749 -4.882 -13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.862 -5.460 -11.923 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.211 -2.920 -12.890 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.988 -4.490 -12.917 1.00 0.00 H new ATOM 764 N ARG A 48 -14.283 -1.307 -12.175 1.00 0.00 N ATOM 765 CA ARG A 48 -14.436 0.023 -12.749 1.00 0.00 C ATOM 766 C ARG A 48 -13.455 0.987 -12.095 1.00 0.00 C ATOM 767 O ARG A 48 -13.809 2.112 -11.745 1.00 0.00 O ATOM 768 CB ARG A 48 -15.870 0.521 -12.558 1.00 0.00 C ATOM 769 CG ARG A 48 -16.918 -0.380 -13.191 1.00 0.00 C ATOM 770 CD ARG A 48 -16.771 -0.434 -14.704 1.00 0.00 C ATOM 771 NE ARG A 48 -16.735 0.900 -15.297 1.00 0.00 N ATOM 772 CZ ARG A 48 -16.857 1.132 -16.600 1.00 0.00 C ATOM 773 NH1 ARG A 48 -17.037 0.124 -17.444 1.00 0.00 N ATOM 774 NH2 ARG A 48 -16.802 2.374 -17.061 1.00 0.00 N ATOM 0 H ARG A 48 -14.560 -1.375 -11.196 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.224 -0.028 -13.817 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.076 0.609 -11.491 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.958 1.521 -12.983 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.830 -1.386 -12.780 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -17.913 -0.017 -12.934 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.857 -0.970 -14.961 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.601 -0.998 -15.129 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.609 1.699 -14.676 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -17.082 -0.833 -17.093 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.130 0.306 -18.443 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.666 3.152 -16.416 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.896 2.551 -18.061 1.00 0.00 H new ATOM 788 N TYR A 49 -12.215 0.534 -11.944 1.00 0.00 N ATOM 789 CA TYR A 49 -11.177 1.339 -11.317 1.00 0.00 C ATOM 790 C TYR A 49 -10.120 1.771 -12.329 1.00 0.00 C ATOM 791 O TYR A 49 -9.198 1.015 -12.637 1.00 0.00 O ATOM 792 CB TYR A 49 -10.513 0.551 -10.191 1.00 0.00 C ATOM 793 CG TYR A 49 -10.033 1.417 -9.056 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.945 2.265 -9.211 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.676 1.389 -7.830 1.00 0.00 C ATOM 796 CE1 TYR A 49 -8.511 3.063 -8.169 1.00 0.00 C ATOM 797 CE2 TYR A 49 -10.253 2.183 -6.784 1.00 0.00 C ATOM 798 CZ TYR A 49 -9.170 3.020 -6.958 1.00 0.00 C ATOM 799 OH TYR A 49 -8.744 3.812 -5.918 1.00 0.00 O ATOM 0 H TYR A 49 -11.905 -0.389 -12.249 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.649 2.234 -10.911 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.221 -0.182 -9.804 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.668 -0.005 -10.596 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.430 2.302 -10.160 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.523 0.734 -7.690 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.661 3.716 -8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.767 2.150 -5.835 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.317 3.662 -5.137 1.00 0.00 H new ATOM 809 N ASN A 50 -10.262 2.986 -12.845 1.00 0.00 N ATOM 810 CA ASN A 50 -9.308 3.520 -13.810 1.00 0.00 C ATOM 811 C ASN A 50 -7.955 3.775 -13.150 1.00 0.00 C ATOM 812 O ASN A 50 -6.972 3.093 -13.444 1.00 0.00 O ATOM 813 CB ASN A 50 -9.841 4.817 -14.423 1.00 0.00 C ATOM 814 CG ASN A 50 -11.195 4.638 -15.082 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.449 3.443 -15.604 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -12.005 5.564 -15.121 1.00 0.00 N flip ATOM 0 H ASN A 50 -11.027 3.619 -12.612 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.175 2.781 -14.600 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.917 5.577 -13.646 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.128 5.186 -15.161 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.769 6.466 -14.707 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.912 5.429 -15.567 1.00 0.00 H new ATOM 823 N GLY A 51 -7.912 4.760 -12.256 1.00 0.00 N ATOM 824 CA GLY A 51 -6.676 5.087 -11.568 1.00 0.00 C ATOM 825 C GLY A 51 -6.832 6.252 -10.608 1.00 0.00 C ATOM 826 O GLY A 51 -7.943 6.735 -10.383 1.00 0.00 O ATOM 0 H GLY A 51 -8.712 5.337 -11.996 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.328 4.212 -11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.908 5.327 -12.303 1.00 0.00 H new ATOM 830 N ALA A 52 -5.713 6.706 -10.045 1.00 0.00 N ATOM 831 CA ALA A 52 -5.723 7.823 -9.104 1.00 0.00 C ATOM 832 C ALA A 52 -4.303 8.243 -8.735 1.00 0.00 C ATOM 833 O ALA A 52 -3.332 7.603 -9.140 1.00 0.00 O ATOM 834 CB ALA A 52 -6.505 7.453 -7.852 1.00 0.00 C ATOM 0 H ALA A 52 -4.788 6.316 -10.225 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.212 8.668 -9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.504 8.295 -7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.532 7.208 -8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.040 6.590 -7.374 1.00 0.00 H new ATOM 840 N TYR A 53 -4.188 9.324 -7.967 1.00 0.00 N ATOM 841 CA TYR A 53 -2.887 9.828 -7.545 1.00 0.00 C ATOM 842 C TYR A 53 -2.407 9.127 -6.280 1.00 0.00 C ATOM 843 O TYR A 53 -2.792 9.487 -5.170 1.00 0.00 O ATOM 844 CB TYR A 53 -2.952 11.336 -7.313 1.00 0.00 C ATOM 845 CG TYR A 53 -2.892 12.142 -8.588 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.798 12.047 -9.436 1.00 0.00 C ATOM 847 CD2 TYR A 53 -3.928 12.995 -8.944 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.735 12.780 -10.605 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.875 13.732 -10.113 1.00 0.00 C ATOM 850 CZ TYR A 53 -2.777 13.621 -10.939 1.00 0.00 C ATOM 851 OH TYR A 53 -2.720 14.354 -12.103 1.00 0.00 O ATOM 0 H TYR A 53 -4.981 9.867 -7.625 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.173 9.619 -8.342 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.874 11.575 -6.784 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.127 11.632 -6.665 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.982 11.389 -9.178 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.789 13.084 -8.298 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.876 12.696 -11.254 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.689 14.391 -10.377 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.533 14.894 -12.190 1.00 0.00 H new ATOM 861 N TRP A 54 -1.572 8.113 -6.467 1.00 0.00 N ATOM 862 CA TRP A 54 -1.026 7.344 -5.353 1.00 0.00 C ATOM 863 C TRP A 54 0.017 8.147 -4.575 1.00 0.00 C ATOM 864 O TRP A 54 1.220 7.945 -4.734 1.00 0.00 O ATOM 865 CB TRP A 54 -0.414 6.042 -5.874 1.00 0.00 C ATOM 866 CG TRP A 54 -1.158 5.479 -7.047 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.467 5.092 -7.080 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.637 5.245 -8.362 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.793 4.636 -8.333 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.687 4.718 -9.137 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.613 5.432 -8.958 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.523 4.376 -10.478 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.774 5.091 -10.288 1.00 0.00 C ATOM 874 CH2 TRP A 54 -0.290 4.569 -11.035 1.00 0.00 C ATOM 0 H TRP A 54 -1.256 7.802 -7.385 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.841 7.112 -4.668 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.623 6.222 -6.159 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.400 5.305 -5.071 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.147 5.138 -6.242 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.710 4.292 -8.619 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.438 5.836 -8.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.341 3.973 -11.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.736 5.229 -10.759 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.133 4.314 -12.073 1.00 0.00 H new ATOM 885 N HIS A 55 -0.465 9.067 -3.744 1.00 0.00 N ATOM 886 CA HIS A 55 0.405 9.906 -2.929 1.00 0.00 C ATOM 887 C HIS A 55 1.332 9.063 -2.065 1.00 0.00 C ATOM 888 O HIS A 55 0.914 8.072 -1.467 1.00 0.00 O ATOM 889 CB HIS A 55 -0.427 10.828 -2.032 1.00 0.00 C ATOM 890 CG HIS A 55 -1.385 11.696 -2.783 1.00 0.00 C ATOM 891 ND1 HIS A 55 -1.026 12.899 -3.354 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.702 11.534 -3.051 1.00 0.00 C ATOM 893 CE1 HIS A 55 -2.081 13.440 -3.940 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.109 12.630 -3.770 1.00 0.00 N ATOM 0 H HIS A 55 -1.460 9.250 -3.618 1.00 0.00 H new ATOM 0 HA HIS A 55 1.011 10.508 -3.607 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.984 10.220 -1.319 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.246 11.461 -1.454 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.092 13.308 -3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.318 10.698 -2.754 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.098 14.383 -4.467 1.00 0.00 H new ATOM 903 N TYR A 56 2.595 9.464 -2.007 1.00 0.00 N ATOM 904 CA TYR A 56 3.587 8.755 -1.209 1.00 0.00 C ATOM 905 C TYR A 56 3.577 9.271 0.227 1.00 0.00 C ATOM 906 O TYR A 56 3.551 10.479 0.460 1.00 0.00 O ATOM 907 CB TYR A 56 4.980 8.917 -1.824 1.00 0.00 C ATOM 908 CG TYR A 56 5.053 8.508 -3.282 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.280 7.461 -3.773 1.00 0.00 C ATOM 910 CD2 TYR A 56 5.892 9.172 -4.169 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.342 7.089 -5.102 1.00 0.00 C ATOM 912 CE2 TYR A 56 5.957 8.807 -5.500 1.00 0.00 C ATOM 913 CZ TYR A 56 5.181 7.765 -5.961 1.00 0.00 C ATOM 914 OH TYR A 56 5.244 7.399 -7.286 1.00 0.00 O ATOM 0 H TYR A 56 2.957 10.278 -2.504 1.00 0.00 H new ATOM 0 HA TYR A 56 3.334 7.695 -1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.290 9.958 -1.732 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.692 8.321 -1.252 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.620 6.930 -3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.504 9.987 -3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.736 6.272 -5.466 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.613 9.336 -6.176 1.00 0.00 H new ATOM 0 HH TYR A 56 5.882 7.976 -7.755 1.00 0.00 H new ATOM 924 N TYR A 57 3.599 8.351 1.187 1.00 0.00 N ATOM 925 CA TYR A 57 3.579 8.725 2.597 1.00 0.00 C ATOM 926 C TYR A 57 4.779 8.165 3.348 1.00 0.00 C ATOM 927 O TYR A 57 5.247 7.062 3.066 1.00 0.00 O ATOM 928 CB TYR A 57 2.284 8.250 3.252 1.00 0.00 C ATOM 929 CG TYR A 57 1.091 9.107 2.903 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.324 8.841 1.777 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.736 10.185 3.701 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.765 9.629 1.456 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.350 10.976 3.388 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.097 10.695 2.264 1.00 0.00 C ATOM 935 OH TYR A 57 -2.181 11.483 1.948 1.00 0.00 O ATOM 0 H TYR A 57 3.631 7.346 1.015 1.00 0.00 H new ATOM 0 HA TYR A 57 3.633 9.812 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.086 7.222 2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.413 8.242 4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.582 8.006 1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.320 10.409 4.582 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.353 9.411 0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.614 11.811 4.020 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.278 12.190 2.620 1.00 0.00 H new ATOM 945 N ALA A 58 5.267 8.938 4.313 1.00 0.00 N ATOM 946 CA ALA A 58 6.417 8.534 5.113 1.00 0.00 C ATOM 947 C ALA A 58 5.991 8.017 6.483 1.00 0.00 C ATOM 948 O ALA A 58 5.684 8.798 7.385 1.00 0.00 O ATOM 949 CB ALA A 58 7.385 9.696 5.267 1.00 0.00 C ATOM 0 H ALA A 58 4.883 9.850 4.560 1.00 0.00 H new ATOM 0 HA ALA A 58 6.917 7.719 4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.239 9.381 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.730 10.015 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.881 10.526 5.762 1.00 0.00 H new ATOM 955 N LEU A 59 5.970 6.697 6.628 1.00 0.00 N ATOM 956 CA LEU A 59 5.598 6.065 7.889 1.00 0.00 C ATOM 957 C LEU A 59 6.524 6.527 9.008 1.00 0.00 C ATOM 958 O LEU A 59 7.654 6.947 8.755 1.00 0.00 O ATOM 959 CB LEU A 59 5.682 4.544 7.750 1.00 0.00 C ATOM 960 CG LEU A 59 4.345 3.801 7.691 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.664 3.815 9.046 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.436 4.394 6.629 1.00 0.00 C ATOM 0 H LEU A 59 6.207 6.041 5.884 1.00 0.00 H new ATOM 0 HA LEU A 59 4.576 6.352 8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.244 4.312 6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.255 4.153 8.591 1.00 0.00 H new ATOM 0 HG LEU A 59 4.549 2.765 7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.716 3.282 8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.305 3.328 9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.481 4.845 9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.494 3.846 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.242 5.442 6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.919 4.320 5.654 1.00 0.00 H new ATOM 974 N SER A 60 6.043 6.449 10.244 1.00 0.00 N ATOM 975 CA SER A 60 6.845 6.854 11.392 1.00 0.00 C ATOM 976 C SER A 60 8.072 5.962 11.518 1.00 0.00 C ATOM 977 O SER A 60 9.072 6.341 12.127 1.00 0.00 O ATOM 978 CB SER A 60 6.018 6.794 12.677 1.00 0.00 C ATOM 979 OG SER A 60 6.803 7.131 13.806 1.00 0.00 O ATOM 0 H SER A 60 5.109 6.112 10.476 1.00 0.00 H new ATOM 0 HA SER A 60 7.170 7.883 11.238 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.173 7.478 12.601 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.607 5.792 12.802 1.00 0.00 H new ATOM 0 HG SER A 60 6.250 7.086 14.614 1.00 0.00 H new ATOM 985 N ASP A 61 7.984 4.770 10.933 1.00 0.00 N ATOM 986 CA ASP A 61 9.088 3.817 10.969 1.00 0.00 C ATOM 987 C ASP A 61 9.825 3.789 9.633 1.00 0.00 C ATOM 988 O ASP A 61 11.054 3.751 9.592 1.00 0.00 O ATOM 989 CB ASP A 61 8.576 2.419 11.313 1.00 0.00 C ATOM 990 CG ASP A 61 8.026 2.331 12.722 1.00 0.00 C ATOM 991 OD1 ASP A 61 8.836 2.327 13.674 1.00 0.00 O ATOM 992 OD2 ASP A 61 6.791 2.262 12.874 1.00 0.00 O ATOM 0 H ASP A 61 7.160 4.442 10.429 1.00 0.00 H new ATOM 0 HA ASP A 61 9.786 4.138 11.743 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.797 2.137 10.605 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.387 1.700 11.198 1.00 0.00 H new ATOM 997 N GLY A 62 9.064 3.806 8.542 1.00 0.00 N ATOM 998 CA GLY A 62 9.664 3.783 7.221 1.00 0.00 C ATOM 999 C GLY A 62 8.993 2.792 6.289 1.00 0.00 C ATOM 1000 O GLY A 62 9.488 2.533 5.191 1.00 0.00 O ATOM 0 H GLY A 62 8.044 3.835 8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.609 4.780 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.721 3.532 7.311 1.00 0.00 H new ATOM 1004 N GLY A 63 7.867 2.235 6.726 1.00 0.00 N ATOM 1005 CA GLY A 63 7.148 1.275 5.906 1.00 0.00 C ATOM 1006 C GLY A 63 6.762 1.845 4.555 1.00 0.00 C ATOM 1007 O GLY A 63 6.823 1.151 3.539 1.00 0.00 O ATOM 0 H GLY A 63 7.440 2.431 7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.767 0.390 5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.249 0.953 6.432 1.00 0.00 H new ATOM 1011 N PHE A 64 6.369 3.114 4.552 1.00 0.00 N ATOM 1012 CA PHE A 64 5.971 3.807 3.331 1.00 0.00 C ATOM 1013 C PHE A 64 4.758 3.150 2.681 1.00 0.00 C ATOM 1014 O PHE A 64 4.836 2.028 2.179 1.00 0.00 O ATOM 1015 CB PHE A 64 7.134 3.862 2.337 1.00 0.00 C ATOM 1016 CG PHE A 64 6.715 4.212 0.938 1.00 0.00 C ATOM 1017 CD1 PHE A 64 6.156 5.448 0.656 1.00 0.00 C ATOM 1018 CD2 PHE A 64 6.876 3.303 -0.095 1.00 0.00 C ATOM 1019 CE1 PHE A 64 5.767 5.771 -0.629 1.00 0.00 C ATOM 1020 CE2 PHE A 64 6.488 3.621 -1.383 1.00 0.00 C ATOM 1021 CZ PHE A 64 5.933 4.857 -1.649 1.00 0.00 C ATOM 0 H PHE A 64 6.317 3.690 5.392 1.00 0.00 H new ATOM 0 HA PHE A 64 5.694 4.824 3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.862 4.596 2.683 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.637 2.895 2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.023 6.167 1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 64 7.310 2.335 0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.333 6.738 -0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.619 2.904 -2.180 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.629 5.108 -2.655 1.00 0.00 H new ATOM 1031 N TYR A 65 3.639 3.863 2.693 1.00 0.00 N ATOM 1032 CA TYR A 65 2.413 3.365 2.082 1.00 0.00 C ATOM 1033 C TYR A 65 1.892 4.359 1.046 1.00 0.00 C ATOM 1034 O TYR A 65 2.005 5.573 1.221 1.00 0.00 O ATOM 1035 CB TYR A 65 1.347 3.082 3.148 1.00 0.00 C ATOM 1036 CG TYR A 65 0.400 4.230 3.408 1.00 0.00 C ATOM 1037 CD1 TYR A 65 0.717 5.230 4.318 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.815 4.311 2.742 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -0.149 6.278 4.557 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.687 5.357 2.973 1.00 0.00 C ATOM 1041 CZ TYR A 65 -1.351 6.337 3.882 1.00 0.00 C ATOM 1042 OH TYR A 65 -2.216 7.380 4.116 1.00 0.00 O ATOM 0 H TYR A 65 3.555 4.786 3.118 1.00 0.00 H new ATOM 0 HA TYR A 65 2.639 2.427 1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.767 2.212 2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.845 2.820 4.081 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.657 5.187 4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.083 3.543 2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.113 7.047 5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.627 5.407 2.444 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.016 7.273 3.560 1.00 0.00 H new ATOM 1052 N MET A 66 1.326 3.832 -0.033 1.00 0.00 N ATOM 1053 CA MET A 66 0.791 4.663 -1.110 1.00 0.00 C ATOM 1054 C MET A 66 -0.730 4.706 -1.064 1.00 0.00 C ATOM 1055 O MET A 66 -1.387 3.671 -0.949 1.00 0.00 O ATOM 1056 CB MET A 66 1.252 4.128 -2.468 1.00 0.00 C ATOM 1057 CG MET A 66 2.759 4.175 -2.661 1.00 0.00 C ATOM 1058 SD MET A 66 3.313 3.219 -4.086 1.00 0.00 S ATOM 1059 CE MET A 66 2.397 4.004 -5.411 1.00 0.00 C ATOM 0 H MET A 66 1.224 2.829 -0.188 1.00 0.00 H new ATOM 0 HA MET A 66 1.169 5.676 -0.973 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.912 3.098 -2.578 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.775 4.707 -3.258 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.073 5.212 -2.781 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.247 3.796 -1.763 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.800 3.684 -6.372 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.347 3.720 -5.345 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.486 5.087 -5.323 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.282 5.910 -1.154 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.729 6.085 -1.129 1.00 0.00 C ATOM 1071 C ALA A 67 -3.204 6.913 -2.322 1.00 0.00 C ATOM 1072 O ALA A 67 -2.696 8.006 -2.568 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.166 6.736 0.174 1.00 0.00 C ATOM 0 H ALA A 67 -0.752 6.777 -1.245 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.187 5.098 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.249 6.858 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.872 6.105 1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.691 7.712 0.270 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.190 6.399 -3.077 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.732 7.094 -4.248 1.00 0.00 C ATOM 1081 C PRO A 68 -5.525 8.339 -3.867 1.00 0.00 C ATOM 1082 O PRO A 68 -5.927 8.504 -2.715 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.647 6.051 -4.893 1.00 0.00 C ATOM 1084 CG PRO A 68 -6.034 5.143 -3.777 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.855 5.102 -2.847 1.00 0.00 C ATOM 0 HA PRO A 68 -3.943 7.452 -4.909 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.522 6.518 -5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.131 5.507 -5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.922 5.512 -3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.272 4.147 -4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.167 4.989 -1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.194 4.266 -3.074 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.745 9.213 -4.844 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.485 10.448 -4.617 1.00 0.00 C ATOM 1095 C ASP A 69 -7.921 10.326 -5.117 1.00 0.00 C ATOM 1096 O ASP A 69 -8.212 10.623 -6.275 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.787 11.611 -5.323 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.403 12.954 -4.977 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -5.971 13.565 -3.977 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -7.316 13.393 -5.707 1.00 0.00 O ATOM 0 H ASP A 69 -5.420 9.088 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.511 10.637 -3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.732 11.617 -5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.836 11.459 -6.401 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.816 9.882 -4.237 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.218 9.721 -4.593 1.00 0.00 C ATOM 1107 C LEU A 70 -11.122 9.919 -3.383 1.00 0.00 C ATOM 1108 O LEU A 70 -10.765 9.570 -2.257 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.461 8.334 -5.196 1.00 0.00 C ATOM 1110 CG LEU A 70 -9.821 8.090 -6.562 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -9.843 6.607 -6.896 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -10.541 8.890 -7.637 1.00 0.00 C ATOM 0 H LEU A 70 -8.593 9.629 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.460 10.484 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.087 7.583 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.536 8.179 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.783 8.422 -6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.384 6.447 -7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.287 6.055 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.874 6.254 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.072 8.705 -8.604 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.587 8.587 -7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.480 9.953 -7.402 1.00 0.00 H new ATOM 1124 N ALA A 71 -12.285 10.508 -3.636 1.00 0.00 N ATOM 1125 CA ALA A 71 -13.281 10.748 -2.591 1.00 0.00 C ATOM 1126 C ALA A 71 -13.480 9.492 -1.745 1.00 0.00 C ATOM 1127 O ALA A 71 -12.997 8.416 -2.101 1.00 0.00 O ATOM 1128 CB ALA A 71 -14.600 11.187 -3.208 1.00 0.00 C ATOM 0 H ALA A 71 -12.565 10.831 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.918 11.546 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -15.331 11.362 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -14.449 12.107 -3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -14.967 10.407 -3.876 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.202 9.612 -0.635 1.00 0.00 N ATOM 1135 CA GLY A 72 -14.412 8.463 0.224 1.00 0.00 C ATOM 1136 C GLY A 72 -15.631 7.652 -0.165 1.00 0.00 C ATOM 1137 O GLY A 72 -16.409 8.060 -1.028 1.00 0.00 O ATOM 0 H GLY A 72 -14.641 10.476 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.530 7.823 0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.520 8.801 1.255 1.00 0.00 H new ATOM 1141 N ARG A 73 -15.793 6.499 0.477 1.00 0.00 N ATOM 1142 CA ARG A 73 -16.919 5.614 0.205 1.00 0.00 C ATOM 1143 C ARG A 73 -16.955 5.225 -1.269 1.00 0.00 C ATOM 1144 O ARG A 73 -17.609 5.879 -2.081 1.00 0.00 O ATOM 1145 CB ARG A 73 -18.237 6.284 0.600 1.00 0.00 C ATOM 1146 CG ARG A 73 -18.240 6.841 2.016 1.00 0.00 C ATOM 1147 CD ARG A 73 -18.120 5.736 3.054 1.00 0.00 C ATOM 1148 NE ARG A 73 -17.990 6.271 4.407 1.00 0.00 N ATOM 1149 CZ ARG A 73 -17.473 5.587 5.424 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -17.043 4.345 5.242 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -17.385 6.144 6.624 1.00 0.00 N ATOM 0 H ARG A 73 -15.154 6.155 1.194 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.790 4.711 0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.447 7.093 -0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -19.046 5.560 0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.414 7.542 2.133 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.160 7.401 2.185 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -18.998 5.092 3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.254 5.115 2.825 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.314 7.222 4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.108 3.913 4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.647 3.823 6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.714 7.099 6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.988 5.618 7.403 1.00 0.00 H new ATOM 1165 N LEU A 74 -16.241 4.158 -1.602 1.00 0.00 N ATOM 1166 CA LEU A 74 -16.174 3.673 -2.975 1.00 0.00 C ATOM 1167 C LEU A 74 -16.297 2.154 -3.016 1.00 0.00 C ATOM 1168 O LEU A 74 -15.494 1.443 -2.411 1.00 0.00 O ATOM 1169 CB LEU A 74 -14.856 4.103 -3.622 1.00 0.00 C ATOM 1170 CG LEU A 74 -14.539 5.595 -3.514 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -13.137 5.878 -4.029 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -15.565 6.414 -4.279 1.00 0.00 C ATOM 0 H LEU A 74 -15.697 3.609 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 74 -17.005 4.106 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.043 3.540 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.879 3.827 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.585 5.883 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -12.927 6.944 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.412 5.318 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -13.065 5.575 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.324 7.473 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -15.551 6.125 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -16.557 6.232 -3.866 1.00 0.00 H new ATOM 1184 N GLU A 75 -17.301 1.662 -3.734 1.00 0.00 N ATOM 1185 CA GLU A 75 -17.521 0.226 -3.847 1.00 0.00 C ATOM 1186 C GLU A 75 -16.262 -0.476 -4.341 1.00 0.00 C ATOM 1187 O GLU A 75 -15.859 -0.320 -5.494 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.692 -0.066 -4.789 1.00 0.00 C ATOM 1189 CG GLU A 75 -20.048 0.317 -4.217 1.00 0.00 C ATOM 1190 CD GLU A 75 -20.168 1.802 -3.932 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -20.494 2.562 -4.868 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -19.938 2.204 -2.772 1.00 0.00 O ATOM 0 H GLU A 75 -17.973 2.235 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.765 -0.158 -2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.537 0.472 -5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -18.696 -1.129 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -20.829 0.022 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -20.219 -0.240 -3.296 1.00 0.00 H new ATOM 1199 N ILE A 76 -15.644 -1.250 -3.455 1.00 0.00 N ATOM 1200 CA ILE A 76 -14.423 -1.974 -3.782 1.00 0.00 C ATOM 1201 C ILE A 76 -14.481 -3.410 -3.262 1.00 0.00 C ATOM 1202 O ILE A 76 -14.495 -3.642 -2.052 1.00 0.00 O ATOM 1203 CB ILE A 76 -13.187 -1.252 -3.195 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -12.671 -0.194 -4.180 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -12.089 -2.245 -2.835 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.640 -0.711 -5.162 1.00 0.00 C ATOM 0 H ILE A 76 -15.972 -1.392 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.334 -2.002 -4.868 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.489 -0.750 -2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.516 0.211 -4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.237 0.631 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.233 -1.708 -2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.465 -2.950 -2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.782 -2.788 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.328 0.099 -5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.775 -1.089 -4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -12.074 -1.516 -5.756 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.528 -4.371 -4.182 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.572 -5.778 -3.802 1.00 0.00 C ATOM 1220 C GLU A 77 -13.166 -6.284 -3.510 1.00 0.00 C ATOM 1221 O GLU A 77 -12.285 -6.250 -4.369 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.237 -6.630 -4.893 1.00 0.00 C ATOM 1223 CG GLU A 77 -14.469 -6.682 -6.202 1.00 0.00 C ATOM 1224 CD GLU A 77 -14.988 -7.754 -7.142 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -14.632 -8.935 -6.949 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -15.752 -7.411 -8.069 1.00 0.00 O ATOM 0 H GLU A 77 -14.537 -4.202 -5.188 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.175 -5.868 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.362 -7.646 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.235 -6.237 -5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.531 -5.711 -6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.415 -6.866 -5.993 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.964 -6.749 -2.287 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.671 -7.245 -1.862 1.00 0.00 C ATOM 1235 C VAL A 78 -11.533 -8.736 -2.135 1.00 0.00 C ATOM 1236 O VAL A 78 -11.934 -9.561 -1.315 1.00 0.00 O ATOM 1237 CB VAL A 78 -11.468 -6.983 -0.363 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -10.095 -7.433 0.077 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.678 -5.509 -0.047 1.00 0.00 C ATOM 0 H VAL A 78 -13.687 -6.792 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.910 -6.715 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.208 -7.562 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.972 -7.238 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.984 -8.501 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.336 -6.885 -0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.530 -5.341 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.963 -4.910 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.692 -5.219 -0.323 1.00 0.00 H new ATOM 1249 N ASN A 79 -10.973 -9.085 -3.292 1.00 0.00 N ATOM 1250 CA ASN A 79 -10.790 -10.487 -3.652 1.00 0.00 C ATOM 1251 C ASN A 79 -9.823 -11.170 -2.691 1.00 0.00 C ATOM 1252 O ASN A 79 -9.937 -12.367 -2.426 1.00 0.00 O ATOM 1253 CB ASN A 79 -10.267 -10.601 -5.084 1.00 0.00 C ATOM 1254 CG ASN A 79 -8.870 -10.033 -5.235 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -8.782 -8.722 -5.431 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -7.879 -10.761 -5.166 1.00 0.00 N flip ATOM 0 H ASN A 79 -10.641 -8.420 -3.991 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.757 -10.985 -3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.265 -11.649 -5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.944 -10.077 -5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.992 -11.763 -5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.945 -10.362 -5.260 1.00 0.00 H new ATOM 1263 N GLY A 80 -8.866 -10.395 -2.184 1.00 0.00 N ATOM 1264 CA GLY A 80 -7.880 -10.919 -1.252 1.00 0.00 C ATOM 1265 C GLY A 80 -8.474 -11.857 -0.216 1.00 0.00 C ATOM 1266 O GLY A 80 -7.816 -12.801 0.220 1.00 0.00 O ATOM 0 H GLY A 80 -8.756 -9.405 -2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.107 -11.447 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.393 -10.087 -0.743 1.00 0.00 H new ATOM 1270 N ASN A 81 -9.716 -11.597 0.181 1.00 0.00 N ATOM 1271 CA ASN A 81 -10.387 -12.431 1.169 1.00 0.00 C ATOM 1272 C ASN A 81 -11.897 -12.432 0.952 1.00 0.00 C ATOM 1273 O ASN A 81 -12.659 -12.834 1.832 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.067 -11.943 2.580 1.00 0.00 C ATOM 1275 CG ASN A 81 -10.868 -10.718 2.967 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -11.957 -10.828 3.530 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.333 -9.542 2.668 1.00 0.00 N ATOM 0 H ASN A 81 -10.276 -10.818 -0.166 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.021 -13.451 1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.268 -12.744 3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.004 -11.714 2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.827 -8.682 2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.427 -9.498 2.201 1.00 0.00 H new ATOM 1284 N GLY A 82 -12.325 -11.985 -0.226 1.00 0.00 N ATOM 1285 CA GLY A 82 -13.743 -11.944 -0.533 1.00 0.00 C ATOM 1286 C GLY A 82 -14.489 -10.909 0.284 1.00 0.00 C ATOM 1287 O GLY A 82 -15.715 -10.959 0.388 1.00 0.00 O ATOM 0 H GLY A 82 -11.715 -11.651 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.875 -11.728 -1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.178 -12.927 -0.352 1.00 0.00 H new ATOM 1291 N PHE A 83 -13.752 -9.968 0.865 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.358 -8.921 1.676 1.00 0.00 C ATOM 1293 C PHE A 83 -14.985 -7.842 0.800 1.00 0.00 C ATOM 1294 O PHE A 83 -14.338 -6.855 0.449 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.319 -8.302 2.615 1.00 0.00 C ATOM 1296 CG PHE A 83 -13.806 -7.081 3.346 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -14.935 -7.137 4.149 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.134 -5.875 3.227 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -15.384 -6.014 4.817 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -13.578 -4.748 3.892 1.00 0.00 C ATOM 1301 CZ PHE A 83 -14.704 -4.819 4.689 1.00 0.00 C ATOM 0 H PHE A 83 -12.737 -9.910 0.789 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.148 -9.375 2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.012 -9.051 3.345 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.433 -8.038 2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.470 -8.069 4.254 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.252 -5.815 2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.266 -6.071 5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.046 -3.814 3.789 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.052 -3.940 5.212 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.246 -8.043 0.442 1.00 0.00 N ATOM 1312 CA ARG A 84 -16.965 -7.079 -0.379 1.00 0.00 C ATOM 1313 C ARG A 84 -17.415 -5.904 0.477 1.00 0.00 C ATOM 1314 O ARG A 84 -18.350 -6.025 1.269 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.174 -7.742 -1.044 1.00 0.00 C ATOM 1316 CG ARG A 84 -19.070 -6.768 -1.794 1.00 0.00 C ATOM 1317 CD ARG A 84 -20.237 -7.481 -2.457 1.00 0.00 C ATOM 1318 NE ARG A 84 -21.035 -8.238 -1.496 1.00 0.00 N ATOM 1319 CZ ARG A 84 -22.132 -8.915 -1.818 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -22.565 -8.927 -3.073 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -22.799 -9.583 -0.887 1.00 0.00 N ATOM 0 H ARG A 84 -16.791 -8.863 0.707 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.297 -6.715 -1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.822 -8.506 -1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.764 -8.251 -0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.448 -6.014 -1.103 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.486 -6.243 -2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -20.871 -6.749 -2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -19.860 -8.155 -3.226 1.00 0.00 H new ATOM 0 HE ARG A 84 -20.733 -8.247 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -22.055 -8.416 -3.793 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -23.407 -9.448 -3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -22.470 -9.578 0.079 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -23.641 -10.102 -1.136 1.00 0.00 H new ATOM 1335 N GLY A 85 -16.745 -4.768 0.319 1.00 0.00 N ATOM 1336 CA GLY A 85 -17.099 -3.598 1.102 1.00 0.00 C ATOM 1337 C GLY A 85 -16.512 -2.315 0.555 1.00 0.00 C ATOM 1338 O GLY A 85 -15.330 -2.259 0.212 1.00 0.00 O ATOM 0 H GLY A 85 -15.970 -4.636 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.185 -3.507 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.757 -3.738 2.128 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.342 -1.278 0.472 1.00 0.00 N ATOM 1343 CA GLU A 86 -16.899 0.018 -0.024 1.00 0.00 C ATOM 1344 C GLU A 86 -15.894 0.636 0.938 1.00 0.00 C ATOM 1345 O GLU A 86 -15.925 0.362 2.138 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.095 0.954 -0.211 1.00 0.00 C ATOM 1347 CG GLU A 86 -18.931 1.132 1.046 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.123 2.044 0.828 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -19.970 3.271 1.001 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -21.209 1.530 0.487 1.00 0.00 O ATOM 0 H GLU A 86 -18.325 -1.312 0.742 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.416 -0.127 -0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.735 1.929 -0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.730 0.565 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.281 0.157 1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.305 1.541 1.839 1.00 0.00 H new ATOM 1357 N LEU A 87 -15.006 1.470 0.412 1.00 0.00 N ATOM 1358 CA LEU A 87 -13.991 2.113 1.240 1.00 0.00 C ATOM 1359 C LEU A 87 -13.425 3.354 0.558 1.00 0.00 C ATOM 1360 O LEU A 87 -13.501 3.495 -0.664 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.865 1.123 1.546 1.00 0.00 C ATOM 1362 CG LEU A 87 -11.902 1.546 2.656 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -12.663 1.875 3.932 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -10.878 0.450 2.912 1.00 0.00 C ATOM 0 H LEU A 87 -14.967 1.717 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.462 2.426 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.310 0.166 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.291 0.958 0.634 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.376 2.444 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.959 2.174 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.359 2.691 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.217 0.996 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.199 0.764 3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.390 -0.463 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.310 0.263 2.001 1.00 0.00 H new ATOM 1376 N SER A 88 -12.856 4.253 1.357 1.00 0.00 N ATOM 1377 CA SER A 88 -12.275 5.484 0.835 1.00 0.00 C ATOM 1378 C SER A 88 -10.913 5.213 0.207 1.00 0.00 C ATOM 1379 O SER A 88 -10.265 4.213 0.515 1.00 0.00 O ATOM 1380 CB SER A 88 -12.136 6.521 1.951 1.00 0.00 C ATOM 1381 OG SER A 88 -11.280 6.054 2.979 1.00 0.00 O ATOM 0 H SER A 88 -12.786 4.151 2.369 1.00 0.00 H new ATOM 0 HA SER A 88 -12.942 5.876 0.067 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.742 7.451 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.118 6.747 2.366 1.00 0.00 H new ATOM 0 HG SER A 88 -11.207 6.736 3.679 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.481 6.112 -0.672 1.00 0.00 N ATOM 1388 CA ALA A 89 -9.197 5.971 -1.348 1.00 0.00 C ATOM 1389 C ALA A 89 -8.050 5.882 -0.350 1.00 0.00 C ATOM 1390 O ALA A 89 -6.998 5.313 -0.646 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.974 7.136 -2.296 1.00 0.00 C ATOM 0 H ALA A 89 -11.004 6.948 -0.933 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.219 5.042 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.012 7.020 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.769 7.156 -3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.980 8.069 -1.733 1.00 0.00 H new ATOM 1397 N ASP A 90 -8.260 6.444 0.835 1.00 0.00 N ATOM 1398 CA ASP A 90 -7.242 6.436 1.877 1.00 0.00 C ATOM 1399 C ASP A 90 -7.115 5.056 2.513 1.00 0.00 C ATOM 1400 O ASP A 90 -6.047 4.450 2.484 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.575 7.476 2.948 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.548 7.510 4.062 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -5.555 8.256 3.932 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -6.737 6.791 5.066 1.00 0.00 O ATOM 0 H ASP A 90 -9.128 6.911 1.098 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.287 6.688 1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.638 8.461 2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.556 7.258 3.369 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.213 4.560 3.075 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.213 3.253 3.726 1.00 0.00 C ATOM 1411 C ALA A 91 -8.072 2.128 2.706 1.00 0.00 C ATOM 1412 O ALA A 91 -7.810 0.981 3.064 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.479 3.072 4.552 1.00 0.00 C ATOM 0 H ALA A 91 -9.112 5.041 3.093 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.352 3.208 4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.464 2.093 5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.530 3.849 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.351 3.145 3.902 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.248 2.468 1.432 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.133 1.492 0.356 1.00 0.00 C ATOM 1421 C ALA A 92 -6.693 1.404 -0.123 1.00 0.00 C ATOM 1422 O ALA A 92 -6.204 0.326 -0.464 1.00 0.00 O ATOM 1423 CB ALA A 92 -9.055 1.855 -0.797 1.00 0.00 C ATOM 0 H ALA A 92 -8.471 3.413 1.121 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.433 0.517 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.954 1.114 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.087 1.873 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.786 2.838 -1.183 1.00 0.00 H new ATOM 1429 N GLY A 93 -6.017 2.548 -0.145 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.634 2.580 -0.568 1.00 0.00 C ATOM 1431 C GLY A 93 -3.753 1.764 0.350 1.00 0.00 C ATOM 1432 O GLY A 93 -2.638 1.393 -0.014 1.00 0.00 O ATOM 0 H GLY A 93 -6.405 3.453 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.555 2.196 -1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.283 3.612 -0.588 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.260 1.481 1.549 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.516 0.695 2.527 1.00 0.00 C ATOM 1438 C ILE A 94 -3.430 -0.760 2.082 1.00 0.00 C ATOM 1439 O ILE A 94 -2.371 -1.384 2.146 1.00 0.00 O ATOM 1440 CB ILE A 94 -4.173 0.736 3.924 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.887 2.071 4.164 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -3.129 0.491 5.004 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.984 3.279 4.070 1.00 0.00 C ATOM 0 H ILE A 94 -5.181 1.784 1.864 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.521 1.136 2.592 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.921 -0.056 3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.693 2.176 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.349 2.052 5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.605 0.522 5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.673 -0.487 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.361 1.262 4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.565 4.183 4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.192 3.200 4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.542 3.326 3.075 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.561 -1.286 1.630 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.648 -2.666 1.174 1.00 0.00 C ATOM 1457 C VAL A 95 -3.970 -2.848 -0.180 1.00 0.00 C ATOM 1458 O VAL A 95 -3.532 -3.947 -0.520 1.00 0.00 O ATOM 1459 CB VAL A 95 -6.120 -3.114 1.072 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.219 -4.546 0.569 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.814 -2.965 2.417 1.00 0.00 C ATOM 0 H VAL A 95 -5.439 -0.771 1.569 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.131 -3.283 1.909 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.624 -2.471 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.267 -4.838 0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.763 -4.617 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.698 -5.211 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.852 -3.285 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.306 -3.582 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.782 -1.921 2.729 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.874 -1.769 -0.948 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.253 -1.829 -2.266 1.00 0.00 C ATOM 1473 C ALA A 96 -1.737 -1.961 -2.160 1.00 0.00 C ATOM 1474 O ALA A 96 -1.128 -2.787 -2.840 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.621 -0.597 -3.077 1.00 0.00 C ATOM 0 H ALA A 96 -4.217 -0.846 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.631 -2.715 -2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.151 -0.654 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.704 -0.549 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.273 0.297 -2.559 1.00 0.00 H new ATOM 1481 N THR A 97 -1.133 -1.141 -1.306 1.00 0.00 N ATOM 1482 CA THR A 97 0.314 -1.166 -1.118 1.00 0.00 C ATOM 1483 C THR A 97 0.749 -2.384 -0.309 1.00 0.00 C ATOM 1484 O THR A 97 1.720 -3.055 -0.659 1.00 0.00 O ATOM 1485 CB THR A 97 0.815 0.112 -0.418 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.221 0.009 -0.157 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.069 0.348 0.886 1.00 0.00 C ATOM 0 H THR A 97 -1.622 -0.452 -0.734 1.00 0.00 H new ATOM 0 HA THR A 97 0.757 -1.222 -2.112 1.00 0.00 H new ATOM 0 HB THR A 97 0.628 0.957 -1.081 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.594 0.904 -0.018 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.442 1.256 1.359 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.996 0.457 0.681 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.225 -0.500 1.553 1.00 0.00 H new ATOM 1495 N LEU A 98 0.028 -2.661 0.774 1.00 0.00 N ATOM 1496 CA LEU A 98 0.344 -3.803 1.632 1.00 0.00 C ATOM 1497 C LEU A 98 0.461 -5.093 0.821 1.00 0.00 C ATOM 1498 O LEU A 98 1.434 -5.835 0.963 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.720 -3.967 2.719 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.554 -3.051 3.934 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.731 -3.204 4.883 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.756 -3.348 4.651 1.00 0.00 C ATOM 0 H LEU A 98 -0.777 -2.113 1.079 1.00 0.00 H new ATOM 0 HA LEU A 98 1.308 -3.606 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.700 -3.785 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.712 -5.002 3.060 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.528 -2.018 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.595 -2.545 5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.653 -2.940 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.791 -4.237 5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.857 -2.687 5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.760 -4.385 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.590 -3.184 3.968 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.530 -5.355 -0.024 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.532 -6.559 -0.851 1.00 0.00 C ATOM 1516 C PHE A 99 0.695 -6.613 -1.758 1.00 0.00 C ATOM 1517 O PHE A 99 1.233 -7.688 -2.024 1.00 0.00 O ATOM 1518 CB PHE A 99 -1.806 -6.627 -1.695 1.00 0.00 C ATOM 1519 CG PHE A 99 -2.893 -7.458 -1.076 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -3.804 -6.894 -0.196 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.004 -8.807 -1.376 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -4.804 -7.660 0.372 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -4.003 -9.577 -0.810 1.00 0.00 C ATOM 1524 CZ PHE A 99 -4.904 -9.003 0.065 1.00 0.00 C ATOM 0 H PHE A 99 -1.342 -4.752 -0.155 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.500 -7.419 -0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.180 -5.616 -1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.561 -7.036 -2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.731 -5.844 0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.302 -9.261 -2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.507 -7.209 1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.079 -10.627 -1.052 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.685 -9.603 0.508 1.00 0.00 H new ATOM 1534 N ALA A 100 1.135 -5.449 -2.228 1.00 0.00 N ATOM 1535 CA ALA A 100 2.297 -5.372 -3.104 1.00 0.00 C ATOM 1536 C ALA A 100 3.563 -5.828 -2.384 1.00 0.00 C ATOM 1537 O ALA A 100 4.399 -6.523 -2.961 1.00 0.00 O ATOM 1538 CB ALA A 100 2.468 -3.955 -3.630 1.00 0.00 C ATOM 0 H ALA A 100 0.705 -4.549 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 100 2.130 -6.044 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.340 -3.912 -4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.580 -3.666 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.607 -3.271 -2.793 1.00 0.00 H new ATOM 1544 N LEU A 101 3.695 -5.432 -1.122 1.00 0.00 N ATOM 1545 CA LEU A 101 4.856 -5.800 -0.319 1.00 0.00 C ATOM 1546 C LEU A 101 4.988 -7.315 -0.207 1.00 0.00 C ATOM 1547 O LEU A 101 6.081 -7.865 -0.332 1.00 0.00 O ATOM 1548 CB LEU A 101 4.745 -5.185 1.078 1.00 0.00 C ATOM 1549 CG LEU A 101 4.904 -3.665 1.137 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.585 -3.152 2.532 1.00 0.00 C ATOM 1551 CD2 LEU A 101 6.313 -3.261 0.730 1.00 0.00 C ATOM 0 H LEU A 101 3.011 -4.855 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 101 5.746 -5.414 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.774 -5.449 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.502 -5.638 1.718 1.00 0.00 H new ATOM 0 HG LEU A 101 4.201 -3.216 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.703 -2.069 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.558 -3.411 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.265 -3.608 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.409 -2.176 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.033 -3.719 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.508 -3.598 -0.288 1.00 0.00 H new ATOM 1563 N GLY A 102 3.863 -7.983 0.030 1.00 0.00 N ATOM 1564 CA GLY A 102 3.871 -9.429 0.164 1.00 0.00 C ATOM 1565 C GLY A 102 4.195 -10.140 -1.136 1.00 0.00 C ATOM 1566 O GLY A 102 4.654 -11.283 -1.126 1.00 0.00 O ATOM 0 H GLY A 102 2.946 -7.549 0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.602 -9.715 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.896 -9.761 0.521 1.00 0.00 H new ATOM 1570 N GLN A 103 3.959 -9.467 -2.259 1.00 0.00 N ATOM 1571 CA GLN A 103 4.227 -10.052 -3.569 1.00 0.00 C ATOM 1572 C GLN A 103 5.708 -9.950 -3.925 1.00 0.00 C ATOM 1573 O GLN A 103 6.311 -10.920 -4.385 1.00 0.00 O ATOM 1574 CB GLN A 103 3.378 -9.367 -4.641 1.00 0.00 C ATOM 1575 CG GLN A 103 3.568 -9.951 -6.032 1.00 0.00 C ATOM 1576 CD GLN A 103 2.527 -9.465 -7.023 1.00 0.00 C ATOM 1577 OE1 GLN A 103 2.028 -8.251 -6.814 1.00 0.00 O flip ATOM 1578 NE2 GLN A 103 2.173 -10.173 -7.966 1.00 0.00 N flip ATOM 0 H GLN A 103 3.584 -8.519 -2.288 1.00 0.00 H new ATOM 0 HA GLN A 103 3.960 -11.108 -3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.327 -9.444 -4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.625 -8.306 -4.665 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.561 -9.689 -6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.526 -11.039 -5.973 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.582 -11.099 -8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.471 -9.833 -8.623 1.00 0.00 H new ATOM 1587 N LEU A 104 6.287 -8.772 -3.714 1.00 0.00 N ATOM 1588 CA LEU A 104 7.699 -8.547 -4.013 1.00 0.00 C ATOM 1589 C LEU A 104 8.584 -9.520 -3.240 1.00 0.00 C ATOM 1590 O LEU A 104 9.667 -9.887 -3.696 1.00 0.00 O ATOM 1591 CB LEU A 104 8.091 -7.108 -3.674 1.00 0.00 C ATOM 1592 CG LEU A 104 7.565 -6.047 -4.641 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.757 -4.655 -4.059 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.266 -6.161 -5.987 1.00 0.00 C ATOM 0 H LEU A 104 5.801 -7.958 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 104 7.848 -8.717 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.729 -6.876 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.179 -7.042 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 104 6.498 -6.215 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.377 -3.912 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.214 -4.576 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.818 -4.478 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.880 -5.399 -6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.338 -6.018 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.083 -7.149 -6.410 1.00 0.00 H new ATOM 1606 N ALA A 105 8.111 -9.936 -2.071 1.00 0.00 N ATOM 1607 CA ALA A 105 8.858 -10.866 -1.232 1.00 0.00 C ATOM 1608 C ALA A 105 8.801 -12.281 -1.798 1.00 0.00 C ATOM 1609 O ALA A 105 9.719 -13.077 -1.598 1.00 0.00 O ATOM 1610 CB ALA A 105 8.315 -10.844 0.189 1.00 0.00 C ATOM 0 H ALA A 105 7.214 -9.644 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 105 9.901 -10.549 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.881 -11.542 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.410 -9.839 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.265 -11.135 0.182 1.00 0.00 H new ATOM 1616 N ALA A 106 7.718 -12.586 -2.506 1.00 0.00 N ATOM 1617 CA ALA A 106 7.536 -13.906 -3.098 1.00 0.00 C ATOM 1618 C ALA A 106 7.943 -13.921 -4.567 1.00 0.00 C ATOM 1619 O ALA A 106 8.011 -14.981 -5.191 1.00 0.00 O ATOM 1620 CB ALA A 106 6.089 -14.348 -2.952 1.00 0.00 C ATOM 0 H ALA A 106 6.952 -11.936 -2.684 1.00 0.00 H new ATOM 0 HA ALA A 106 8.182 -14.604 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.963 -15.335 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.826 -14.391 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.438 -13.636 -3.459 1.00 0.00 H new ATOM 1626 N GLU A 107 8.213 -12.742 -5.117 1.00 0.00 N ATOM 1627 CA GLU A 107 8.610 -12.625 -6.516 1.00 0.00 C ATOM 1628 C GLU A 107 10.081 -12.985 -6.698 1.00 0.00 C ATOM 1629 O GLU A 107 10.429 -13.805 -7.548 1.00 0.00 O ATOM 1630 CB GLU A 107 8.356 -11.202 -7.021 1.00 0.00 C ATOM 1631 CG GLU A 107 8.741 -10.994 -8.477 1.00 0.00 C ATOM 1632 CD GLU A 107 8.550 -9.560 -8.931 1.00 0.00 C ATOM 1633 OE1 GLU A 107 7.445 -9.232 -9.412 1.00 0.00 O ATOM 1634 OE2 GLU A 107 9.505 -8.765 -8.807 1.00 0.00 O ATOM 0 H GLU A 107 8.164 -11.855 -4.616 1.00 0.00 H new ATOM 0 HA GLU A 107 8.009 -13.324 -7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.300 -10.964 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.916 -10.501 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.783 -11.280 -8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.142 -11.653 -9.105 1.00 0.00 H new ATOM 1641 N ILE A 108 10.940 -12.367 -5.893 1.00 0.00 N ATOM 1642 CA ILE A 108 12.374 -12.619 -5.964 1.00 0.00 C ATOM 1643 C ILE A 108 12.720 -14.008 -5.436 1.00 0.00 C ATOM 1644 O ILE A 108 12.366 -14.363 -4.311 1.00 0.00 O ATOM 1645 CB ILE A 108 13.170 -11.563 -5.175 1.00 0.00 C ATOM 1646 CG1 ILE A 108 12.617 -11.430 -3.753 1.00 0.00 C ATOM 1647 CG2 ILE A 108 13.127 -10.224 -5.896 1.00 0.00 C ATOM 1648 CD1 ILE A 108 13.425 -10.504 -2.871 1.00 0.00 C ATOM 0 H ILE A 108 10.667 -11.687 -5.183 1.00 0.00 H new ATOM 0 HA ILE A 108 12.652 -12.559 -7.016 1.00 0.00 H new ATOM 0 HB ILE A 108 14.209 -11.885 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.591 -11.065 -3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.582 -12.417 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.694 -9.486 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.564 -10.331 -6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.092 -9.894 -5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.974 -10.460 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 108 14.445 -10.878 -2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.439 -9.506 -3.308 1.00 0.00 H new ATOM 1660 N ALA A 109 13.410 -14.792 -6.260 1.00 0.00 N ATOM 1661 CA ALA A 109 13.805 -16.144 -5.883 1.00 0.00 C ATOM 1662 C ALA A 109 14.666 -16.141 -4.625 1.00 0.00 C ATOM 1663 O ALA A 109 14.603 -17.068 -3.817 1.00 0.00 O ATOM 1664 CB ALA A 109 14.549 -16.812 -7.029 1.00 0.00 C ATOM 0 H ALA A 109 13.707 -14.512 -7.195 1.00 0.00 H new ATOM 0 HA ALA A 109 12.899 -16.711 -5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 109 14.839 -17.821 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 109 13.901 -16.861 -7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 109 15.441 -16.234 -7.270 1.00 0.00 H new ATOM 1670 N ASP A 110 15.470 -15.093 -4.464 1.00 0.00 N ATOM 1671 CA ASP A 110 16.345 -14.971 -3.303 1.00 0.00 C ATOM 1672 C ASP A 110 15.539 -14.987 -2.008 1.00 0.00 C ATOM 1673 O ASP A 110 14.319 -14.820 -2.024 1.00 0.00 O ATOM 1674 CB ASP A 110 17.168 -13.685 -3.391 1.00 0.00 C ATOM 1675 CG ASP A 110 17.991 -13.610 -4.661 1.00 0.00 C ATOM 1676 OD1 ASP A 110 17.471 -13.099 -5.675 1.00 0.00 O ATOM 1677 OD2 ASP A 110 19.154 -14.064 -4.643 1.00 0.00 O ATOM 0 H ASP A 110 15.533 -14.317 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 110 17.021 -15.826 -3.298 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.499 -12.825 -3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 110 17.831 -13.621 -2.528 1.00 0.00 H new ATOM 1682 N THR A 111 16.227 -15.188 -0.888 1.00 0.00 N ATOM 1683 CA THR A 111 15.573 -15.227 0.414 1.00 0.00 C ATOM 1684 C THR A 111 16.025 -14.068 1.296 1.00 0.00 C ATOM 1685 O THR A 111 15.304 -13.647 2.201 1.00 0.00 O ATOM 1686 CB THR A 111 15.859 -16.552 1.146 1.00 0.00 C ATOM 1687 OG1 THR A 111 15.249 -16.539 2.441 1.00 0.00 O ATOM 1688 CG2 THR A 111 17.357 -16.782 1.287 1.00 0.00 C ATOM 0 H THR A 111 17.237 -15.326 -0.857 1.00 0.00 H new ATOM 0 HA THR A 111 14.502 -15.143 0.230 1.00 0.00 H new ATOM 0 HB THR A 111 15.437 -17.365 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 111 15.435 -17.386 2.899 1.00 0.00 H new ATOM 0 HG21 THR A 111 17.533 -17.724 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 111 17.814 -16.823 0.298 1.00 0.00 H new ATOM 0 HG23 THR A 111 17.799 -15.965 1.857 1.00 0.00 H new ATOM 1696 N ASP A 112 17.221 -13.554 1.025 1.00 0.00 N ATOM 1697 CA ASP A 112 17.769 -12.444 1.796 1.00 0.00 C ATOM 1698 C ASP A 112 16.898 -11.200 1.659 1.00 0.00 C ATOM 1699 O ASP A 112 16.501 -10.595 2.654 1.00 0.00 O ATOM 1700 CB ASP A 112 19.196 -12.134 1.340 1.00 0.00 C ATOM 1701 CG ASP A 112 19.824 -11.004 2.132 1.00 0.00 C ATOM 1702 OD1 ASP A 112 20.324 -11.265 3.245 1.00 0.00 O ATOM 1703 OD2 ASP A 112 19.816 -9.857 1.636 1.00 0.00 O ATOM 0 H ASP A 112 17.829 -13.889 0.277 1.00 0.00 H new ATOM 0 HA ASP A 112 17.785 -12.739 2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 112 19.809 -13.029 1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 112 19.187 -11.871 0.282 1.00 0.00 H new ATOM 1708 N ALA A 113 16.605 -10.822 0.418 1.00 0.00 N ATOM 1709 CA ALA A 113 15.783 -9.648 0.151 1.00 0.00 C ATOM 1710 C ALA A 113 14.297 -9.981 0.247 1.00 0.00 C ATOM 1711 O ALA A 113 13.455 -9.084 0.296 1.00 0.00 O ATOM 1712 CB ALA A 113 16.110 -9.078 -1.221 1.00 0.00 C ATOM 0 H ALA A 113 16.925 -11.312 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 113 16.008 -8.898 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 113 15.489 -8.202 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 113 17.161 -8.792 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.914 -9.831 -1.984 1.00 0.00 H new ATOM 1718 N ALA A 114 13.982 -11.272 0.272 1.00 0.00 N ATOM 1719 CA ALA A 114 12.596 -11.722 0.365 1.00 0.00 C ATOM 1720 C ALA A 114 12.066 -11.568 1.784 1.00 0.00 C ATOM 1721 O ALA A 114 10.876 -11.761 2.040 1.00 0.00 O ATOM 1722 CB ALA A 114 12.483 -13.169 -0.089 1.00 0.00 C ATOM 0 H ALA A 114 14.668 -12.026 0.229 1.00 0.00 H new ATOM 0 HA ALA A 114 11.989 -11.098 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.445 -13.493 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.817 -13.253 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.106 -13.799 0.546 1.00 0.00 H new ATOM 1728 N ASP A 115 12.957 -11.221 2.703 1.00 0.00 N ATOM 1729 CA ASP A 115 12.591 -11.038 4.099 1.00 0.00 C ATOM 1730 C ASP A 115 12.988 -9.648 4.575 1.00 0.00 C ATOM 1731 O ASP A 115 12.585 -9.214 5.655 1.00 0.00 O ATOM 1732 CB ASP A 115 13.262 -12.103 4.969 1.00 0.00 C ATOM 1733 CG ASP A 115 12.802 -12.046 6.413 1.00 0.00 C ATOM 1734 OD1 ASP A 115 11.804 -12.718 6.744 1.00 0.00 O ATOM 1735 OD2 ASP A 115 13.441 -11.329 7.212 1.00 0.00 O ATOM 0 H ASP A 115 13.944 -11.060 2.504 1.00 0.00 H new ATOM 0 HA ASP A 115 11.510 -11.142 4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.046 -13.090 4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.343 -11.971 4.930 1.00 0.00 H new ATOM 1740 N ALA A 116 13.781 -8.946 3.766 1.00 0.00 N ATOM 1741 CA ALA A 116 14.222 -7.603 4.110 1.00 0.00 C ATOM 1742 C ALA A 116 13.131 -6.586 3.805 1.00 0.00 C ATOM 1743 O ALA A 116 12.795 -5.755 4.647 1.00 0.00 O ATOM 1744 CB ALA A 116 15.497 -7.256 3.357 1.00 0.00 C ATOM 0 H ALA A 116 14.128 -9.288 2.870 1.00 0.00 H new ATOM 0 HA ALA A 116 14.430 -7.572 5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 116 15.815 -6.248 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 116 16.281 -7.966 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 116 15.311 -7.305 2.284 1.00 0.00 H new ATOM 1750 N LEU A 117 12.587 -6.647 2.590 1.00 0.00 N ATOM 1751 CA LEU A 117 11.522 -5.737 2.193 1.00 0.00 C ATOM 1752 C LEU A 117 10.310 -5.947 3.088 1.00 0.00 C ATOM 1753 O LEU A 117 9.392 -5.129 3.123 1.00 0.00 O ATOM 1754 CB LEU A 117 11.157 -5.933 0.707 1.00 0.00 C ATOM 1755 CG LEU A 117 10.184 -7.075 0.370 1.00 0.00 C ATOM 1756 CD1 LEU A 117 10.564 -8.358 1.094 1.00 0.00 C ATOM 1757 CD2 LEU A 117 8.747 -6.676 0.678 1.00 0.00 C ATOM 0 H LEU A 117 12.866 -7.314 1.870 1.00 0.00 H new ATOM 0 HA LEU A 117 11.870 -4.711 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.726 -5.002 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.080 -6.099 0.151 1.00 0.00 H new ATOM 0 HG LEU A 117 10.257 -7.268 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.857 -9.146 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.568 -8.660 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.540 -8.189 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.079 -7.501 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.654 -6.439 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.477 -5.801 0.086 1.00 0.00 H new ATOM 1769 N ILE A 118 10.319 -7.060 3.809 1.00 0.00 N ATOM 1770 CA ILE A 118 9.238 -7.398 4.717 1.00 0.00 C ATOM 1771 C ILE A 118 9.245 -6.461 5.922 1.00 0.00 C ATOM 1772 O ILE A 118 8.221 -6.250 6.573 1.00 0.00 O ATOM 1773 CB ILE A 118 9.364 -8.864 5.189 1.00 0.00 C ATOM 1774 CG1 ILE A 118 8.919 -9.821 4.079 1.00 0.00 C ATOM 1775 CG2 ILE A 118 8.554 -9.100 6.456 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.472 -9.653 3.667 1.00 0.00 C ATOM 0 H ILE A 118 11.071 -7.748 3.780 1.00 0.00 H new ATOM 0 HA ILE A 118 8.294 -7.282 4.184 1.00 0.00 H new ATOM 0 HB ILE A 118 10.412 -9.060 5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.555 -9.670 3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.075 -10.847 4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.660 -10.139 6.767 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.918 -8.445 7.248 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.503 -8.885 6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.233 -10.366 2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.826 -9.833 4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.313 -8.639 3.300 1.00 0.00 H new ATOM 1788 N ASP A 119 10.413 -5.891 6.197 1.00 0.00 N ATOM 1789 CA ASP A 119 10.586 -4.975 7.319 1.00 0.00 C ATOM 1790 C ASP A 119 9.598 -3.818 7.253 1.00 0.00 C ATOM 1791 O ASP A 119 9.005 -3.442 8.264 1.00 0.00 O ATOM 1792 CB ASP A 119 12.012 -4.428 7.328 1.00 0.00 C ATOM 1793 CG ASP A 119 12.543 -4.215 8.733 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.805 -5.221 9.426 1.00 0.00 O ATOM 1795 OD2 ASP A 119 12.699 -3.045 9.138 1.00 0.00 O ATOM 0 H ASP A 119 11.261 -6.049 5.653 1.00 0.00 H new ATOM 0 HA ASP A 119 10.397 -5.532 8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 119 12.666 -5.119 6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 119 12.039 -3.483 6.786 1.00 0.00 H new ATOM 1800 N ARG A 120 9.419 -3.257 6.060 1.00 0.00 N ATOM 1801 CA ARG A 120 8.506 -2.128 5.890 1.00 0.00 C ATOM 1802 C ARG A 120 7.051 -2.572 5.983 1.00 0.00 C ATOM 1803 O ARG A 120 6.185 -1.795 6.383 1.00 0.00 O ATOM 1804 CB ARG A 120 8.751 -1.399 4.564 1.00 0.00 C ATOM 1805 CG ARG A 120 9.303 -2.273 3.454 1.00 0.00 C ATOM 1806 CD ARG A 120 10.819 -2.190 3.386 1.00 0.00 C ATOM 1807 NE ARG A 120 11.344 -2.747 2.143 1.00 0.00 N ATOM 1808 CZ ARG A 120 12.582 -2.536 1.704 1.00 0.00 C ATOM 1809 NH1 ARG A 120 13.417 -1.778 2.402 1.00 0.00 N ATOM 1810 NH2 ARG A 120 12.984 -3.084 0.566 1.00 0.00 N ATOM 0 H ARG A 120 9.887 -3.560 5.206 1.00 0.00 H new ATOM 0 HA ARG A 120 8.708 -1.432 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.812 -0.958 4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 120 9.445 -0.577 4.740 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.001 -3.307 3.618 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.877 -1.964 2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 120 11.129 -1.149 3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 120 11.249 -2.725 4.233 1.00 0.00 H new ATOM 0 HE ARG A 120 10.727 -3.331 1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 120 13.111 -1.355 3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.366 -1.618 2.063 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.344 -3.667 0.027 1.00 0.00 H new ATOM 0 HH22 ARG A 120 13.933 -2.922 0.229 1.00 0.00 H new ATOM 1824 N TYR A 121 6.782 -3.818 5.610 1.00 0.00 N ATOM 1825 CA TYR A 121 5.423 -4.347 5.668 1.00 0.00 C ATOM 1826 C TYR A 121 4.907 -4.350 7.104 1.00 0.00 C ATOM 1827 O TYR A 121 3.796 -3.896 7.373 1.00 0.00 O ATOM 1828 CB TYR A 121 5.366 -5.763 5.091 1.00 0.00 C ATOM 1829 CG TYR A 121 3.986 -6.386 5.145 1.00 0.00 C ATOM 1830 CD1 TYR A 121 3.532 -7.024 6.294 1.00 0.00 C ATOM 1831 CD2 TYR A 121 3.138 -6.336 4.046 1.00 0.00 C ATOM 1832 CE1 TYR A 121 2.274 -7.595 6.344 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.879 -6.903 4.090 1.00 0.00 C ATOM 1834 CZ TYR A 121 1.452 -7.531 5.239 1.00 0.00 C ATOM 1835 OH TYR A 121 0.199 -8.097 5.286 1.00 0.00 O ATOM 0 H TYR A 121 7.481 -4.477 5.267 1.00 0.00 H new ATOM 0 HA TYR A 121 4.785 -3.699 5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.704 -5.738 4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 121 6.063 -6.397 5.638 1.00 0.00 H new ATOM 0 HD1 TYR A 121 4.173 -7.074 7.162 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.468 -5.846 3.142 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.937 -8.088 7.244 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.232 -6.854 3.227 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.253 -7.964 4.427 1.00 0.00 H new ATOM 1845 N HIS A 122 5.720 -4.869 8.021 1.00 0.00 N ATOM 1846 CA HIS A 122 5.340 -4.927 9.430 1.00 0.00 C ATOM 1847 C HIS A 122 5.022 -3.535 9.960 1.00 0.00 C ATOM 1848 O HIS A 122 4.162 -3.371 10.825 1.00 0.00 O ATOM 1849 CB HIS A 122 6.454 -5.561 10.262 1.00 0.00 C ATOM 1850 CG HIS A 122 6.552 -7.045 10.098 1.00 0.00 C ATOM 1851 ND1 HIS A 122 7.100 -7.792 9.111 1.00 0.00 N flip ATOM 1852 CD2 HIS A 122 6.046 -7.940 11.017 1.00 0.00 C flip ATOM 1853 CE1 HIS A 122 6.918 -9.109 9.449 1.00 0.00 C flip ATOM 1854 NE2 HIS A 122 6.280 -9.172 10.603 1.00 0.00 N flip ATOM 0 H HIS A 122 6.642 -5.254 7.815 1.00 0.00 H new ATOM 0 HA HIS A 122 4.446 -5.544 9.513 1.00 0.00 H new ATOM 0 HB2 HIS A 122 7.406 -5.109 9.984 1.00 0.00 H new ATOM 0 HB3 HIS A 122 6.287 -5.330 11.314 1.00 0.00 H new ATOM 0 HD2 HIS A 122 5.538 -7.675 11.932 1.00 0.00 H new ATOM 0 HE1 HIS A 122 7.244 -9.957 8.865 1.00 0.00 H new ATOM 0 HE2 HIS A 122 6.013 -10.027 11.092 1.00 0.00 H new ATOM 1863 N PHE A 123 5.722 -2.535 9.436 1.00 0.00 N ATOM 1864 CA PHE A 123 5.505 -1.155 9.854 1.00 0.00 C ATOM 1865 C PHE A 123 4.169 -0.643 9.328 1.00 0.00 C ATOM 1866 O PHE A 123 3.328 -0.170 10.093 1.00 0.00 O ATOM 1867 CB PHE A 123 6.641 -0.256 9.356 1.00 0.00 C ATOM 1868 CG PHE A 123 7.993 -0.618 9.909 1.00 0.00 C ATOM 1869 CD1 PHE A 123 8.137 -1.021 11.228 1.00 0.00 C ATOM 1870 CD2 PHE A 123 9.122 -0.549 9.107 1.00 0.00 C ATOM 1871 CE1 PHE A 123 9.380 -1.349 11.735 1.00 0.00 C ATOM 1872 CE2 PHE A 123 10.368 -0.876 9.610 1.00 0.00 C ATOM 1873 CZ PHE A 123 10.496 -1.276 10.926 1.00 0.00 C ATOM 0 H PHE A 123 6.442 -2.653 8.723 1.00 0.00 H new ATOM 0 HA PHE A 123 5.489 -1.128 10.944 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.680 -0.305 8.268 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.416 0.777 9.621 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.268 -1.079 11.866 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.027 -0.236 8.078 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.478 -1.662 12.764 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.240 -0.819 8.975 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.468 -1.531 11.321 1.00 0.00 H new ATOM 1883 N LEU A 124 3.987 -0.740 8.015 1.00 0.00 N ATOM 1884 CA LEU A 124 2.756 -0.299 7.369 1.00 0.00 C ATOM 1885 C LEU A 124 1.541 -0.949 8.021 1.00 0.00 C ATOM 1886 O LEU A 124 0.611 -0.265 8.445 1.00 0.00 O ATOM 1887 CB LEU A 124 2.802 -0.658 5.885 1.00 0.00 C ATOM 1888 CG LEU A 124 2.037 0.283 4.951 1.00 0.00 C ATOM 1889 CD1 LEU A 124 2.253 -0.127 3.502 1.00 0.00 C ATOM 1890 CD2 LEU A 124 0.553 0.293 5.286 1.00 0.00 C ATOM 0 H LEU A 124 4.682 -1.123 7.374 1.00 0.00 H new ATOM 0 HA LEU A 124 2.670 0.782 7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.845 -0.686 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.405 -1.665 5.761 1.00 0.00 H new ATOM 0 HG LEU A 124 2.421 1.293 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.704 0.549 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.316 -0.079 3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.894 -1.146 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.032 0.969 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.149 -0.713 5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.414 0.630 6.313 1.00 0.00 H new ATOM 1902 N ARG A 125 1.556 -2.277 8.074 1.00 0.00 N ATOM 1903 CA ARG A 125 0.469 -3.038 8.679 1.00 0.00 C ATOM 1904 C ARG A 125 0.051 -2.425 10.013 1.00 0.00 C ATOM 1905 O ARG A 125 -1.130 -2.421 10.362 1.00 0.00 O ATOM 1906 CB ARG A 125 0.899 -4.493 8.882 1.00 0.00 C ATOM 1907 CG ARG A 125 -0.195 -5.384 9.445 1.00 0.00 C ATOM 1908 CD ARG A 125 0.275 -6.825 9.567 1.00 0.00 C ATOM 1909 NE ARG A 125 -0.744 -7.690 10.154 1.00 0.00 N ATOM 1910 CZ ARG A 125 -0.536 -8.965 10.469 1.00 0.00 C ATOM 1911 NH1 ARG A 125 0.649 -9.521 10.253 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -1.513 -9.686 11.002 1.00 0.00 N ATOM 0 H ARG A 125 2.313 -2.851 7.703 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.387 -3.007 8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 125 1.231 -4.900 7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 125 1.757 -4.518 9.554 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.500 -5.015 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.072 -5.339 8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.545 -7.202 8.581 1.00 0.00 H new ATOM 0 HD3 ARG A 125 1.176 -6.861 10.179 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.667 -7.294 10.332 1.00 0.00 H new ATOM 0 HH11 ARG A 125 1.404 -8.970 9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.805 -10.499 10.496 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.426 -9.263 11.171 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.352 -10.664 11.243 1.00 0.00 H new ATOM 1926 N GLY A 126 1.027 -1.907 10.753 1.00 0.00 N ATOM 1927 CA GLY A 126 0.743 -1.295 12.037 1.00 0.00 C ATOM 1928 C GLY A 126 -0.065 -0.016 11.917 1.00 0.00 C ATOM 1929 O GLY A 126 -0.900 0.273 12.774 1.00 0.00 O ATOM 0 H GLY A 126 2.011 -1.901 10.485 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.199 -2.005 12.660 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.682 -1.079 12.546 1.00 0.00 H new ATOM 1933 N PHE A 127 0.180 0.755 10.859 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.540 2.007 10.649 1.00 0.00 C ATOM 1935 C PHE A 127 -2.023 1.749 10.406 1.00 0.00 C ATOM 1936 O PHE A 127 -2.861 2.626 10.614 1.00 0.00 O ATOM 1937 CB PHE A 127 0.064 2.767 9.466 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.524 4.133 9.255 1.00 0.00 C ATOM 1939 CD1 PHE A 127 -0.457 5.094 10.252 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -1.139 4.458 8.058 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.994 6.352 10.059 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.679 5.715 7.858 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.606 6.663 8.859 1.00 0.00 C ATOM 0 H PHE A 127 0.868 0.536 10.138 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.443 2.613 11.550 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.139 2.865 9.620 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -0.076 2.178 8.559 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.021 4.856 11.191 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.198 3.721 7.271 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.936 7.091 10.844 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -2.157 5.955 6.920 1.00 0.00 H new ATOM 0 HZ PHE A 127 -2.026 7.646 8.705 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.339 0.536 9.964 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.717 0.152 9.692 1.00 0.00 C ATOM 1955 C ALA A 128 -4.442 -0.239 10.975 1.00 0.00 C ATOM 1956 O ALA A 128 -5.650 -0.469 10.969 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.754 -0.994 8.693 1.00 0.00 C ATOM 0 H ALA A 128 -1.655 -0.200 9.786 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.232 1.012 9.264 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.789 -1.273 8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.280 -0.681 7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.219 -1.851 9.102 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.694 -0.316 12.071 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.263 -0.676 13.365 1.00 0.00 C ATOM 1965 C ALA A 129 -4.557 0.570 14.188 1.00 0.00 C ATOM 1966 O ALA A 129 -4.603 0.527 15.418 1.00 0.00 O ATOM 1967 CB ALA A 129 -3.311 -1.583 14.116 1.00 0.00 C ATOM 0 H ALA A 129 -2.691 -0.134 12.089 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.200 -1.206 13.195 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -3.744 -1.846 15.081 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.138 -2.490 13.536 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -2.364 -1.067 14.273 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.761 1.674 13.489 1.00 0.00 N ATOM 1974 CA GLY A 130 -5.046 2.938 14.143 1.00 0.00 C ATOM 1975 C GLY A 130 -5.983 3.803 13.324 1.00 0.00 C ATOM 1976 O GLY A 130 -6.382 4.885 13.755 1.00 0.00 O ATOM 0 H GLY A 130 -4.734 1.720 12.470 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.489 2.748 15.121 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.113 3.476 14.315 1.00 0.00 H new ATOM 1980 N HIS A 131 -6.332 3.318 12.136 1.00 0.00 N ATOM 1981 CA HIS A 131 -7.228 4.040 11.239 1.00 0.00 C ATOM 1982 C HIS A 131 -8.687 3.851 11.653 1.00 0.00 C ATOM 1983 O HIS A 131 -9.032 2.862 12.299 1.00 0.00 O ATOM 1984 CB HIS A 131 -7.028 3.554 9.801 1.00 0.00 C ATOM 1985 CG HIS A 131 -6.179 4.464 8.971 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.433 5.812 8.831 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -5.076 4.212 8.226 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -5.524 6.350 8.038 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -4.690 5.401 7.657 1.00 0.00 N ATOM 0 H HIS A 131 -6.006 2.423 11.771 1.00 0.00 H new ATOM 0 HA HIS A 131 -6.990 5.102 11.300 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.572 2.564 9.822 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -8.002 3.446 9.325 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -4.591 3.255 8.103 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.472 7.390 7.750 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -3.888 5.530 7.040 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.566 4.806 11.290 1.00 0.00 N ATOM 1999 CA PRO A 132 -10.993 4.735 11.621 1.00 0.00 C ATOM 2000 C PRO A 132 -11.675 3.558 10.931 1.00 0.00 C ATOM 2001 O PRO A 132 -12.742 3.109 11.349 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.564 6.063 11.105 1.00 0.00 C ATOM 2003 CG PRO A 132 -10.380 6.942 10.872 1.00 0.00 C ATOM 2004 CD PRO A 132 -9.242 6.025 10.532 1.00 0.00 C ATOM 0 HA PRO A 132 -11.155 4.586 12.688 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.131 5.916 10.186 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -12.245 6.506 11.832 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -10.570 7.645 10.061 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -10.153 7.533 11.759 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -9.185 5.832 9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.282 6.444 10.832 1.00 0.00 H new ATOM 2012 N GLU A 133 -11.043 3.066 9.870 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.569 1.933 9.117 1.00 0.00 C ATOM 2014 C GLU A 133 -10.663 0.723 9.287 1.00 0.00 C ATOM 2015 O GLU A 133 -10.697 -0.211 8.485 1.00 0.00 O ATOM 2016 CB GLU A 133 -11.701 2.280 7.633 1.00 0.00 C ATOM 2017 CG GLU A 133 -12.784 3.303 7.341 1.00 0.00 C ATOM 2018 CD GLU A 133 -12.237 4.710 7.199 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -11.808 5.286 8.220 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -12.236 5.234 6.066 1.00 0.00 O ATOM 0 H GLU A 133 -10.163 3.436 9.511 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.559 1.696 9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -10.746 2.661 7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.913 1.369 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -13.303 3.025 6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.522 3.284 8.143 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.851 0.756 10.339 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.921 -0.324 10.639 1.00 0.00 C ATOM 2029 C ALA A 134 -9.583 -1.686 10.478 1.00 0.00 C ATOM 2030 O ALA A 134 -9.031 -2.580 9.838 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.377 -0.168 12.050 1.00 0.00 C ATOM 0 H ALA A 134 -9.820 1.529 11.004 1.00 0.00 H new ATOM 0 HA ALA A 134 -8.096 -0.266 9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.683 -0.981 12.264 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.857 0.786 12.136 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -9.201 -0.197 12.763 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.763 -1.837 11.067 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.504 -3.090 10.995 1.00 0.00 C ATOM 2039 C ALA A 135 -11.587 -3.625 9.568 1.00 0.00 C ATOM 2040 O ALA A 135 -11.375 -4.812 9.331 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.899 -2.907 11.573 1.00 0.00 C ATOM 0 H ALA A 135 -11.229 -1.104 11.602 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.962 -3.827 11.587 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.444 -3.849 11.514 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.823 -2.596 12.615 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.431 -2.144 11.005 1.00 0.00 H new ATOM 2047 N ALA A 136 -11.901 -2.748 8.620 1.00 0.00 N ATOM 2048 CA ALA A 136 -12.023 -3.149 7.222 1.00 0.00 C ATOM 2049 C ALA A 136 -10.660 -3.343 6.562 1.00 0.00 C ATOM 2050 O ALA A 136 -10.498 -4.209 5.702 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.839 -2.122 6.453 1.00 0.00 C ATOM 0 H ALA A 136 -12.075 -1.758 8.793 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.536 -4.110 7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -12.924 -2.431 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.834 -2.046 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.345 -1.152 6.505 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.685 -2.537 6.964 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.343 -2.608 6.393 1.00 0.00 C ATOM 2059 C ILE A 137 -7.623 -3.919 6.715 1.00 0.00 C ATOM 2060 O ILE A 137 -7.130 -4.595 5.813 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.472 -1.434 6.880 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -8.105 -0.100 6.479 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -6.065 -1.554 6.315 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.399 1.106 7.063 1.00 0.00 C ATOM 0 H ILE A 137 -9.798 -1.824 7.685 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.480 -2.553 5.313 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.410 -1.470 7.968 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -8.105 -0.020 5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -9.147 -0.091 6.799 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.459 -0.719 6.666 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.618 -2.491 6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -6.108 -1.538 5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.902 2.016 6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.422 1.049 8.151 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.364 1.122 6.722 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.561 -4.278 7.995 1.00 0.00 N ATOM 2077 CA TYR A 138 -6.861 -5.494 8.410 1.00 0.00 C ATOM 2078 C TYR A 138 -7.536 -6.750 7.867 1.00 0.00 C ATOM 2079 O TYR A 138 -6.868 -7.737 7.562 1.00 0.00 O ATOM 2080 CB TYR A 138 -6.749 -5.561 9.939 1.00 0.00 C ATOM 2081 CG TYR A 138 -7.924 -6.217 10.633 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -7.955 -7.592 10.836 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -8.992 -5.462 11.094 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -9.021 -8.195 11.475 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -10.061 -6.058 11.737 1.00 0.00 C ATOM 2086 CZ TYR A 138 -10.072 -7.423 11.924 1.00 0.00 C ATOM 2087 OH TYR A 138 -11.134 -8.020 12.563 1.00 0.00 O ATOM 0 H TYR A 138 -7.983 -3.750 8.759 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.857 -5.452 7.987 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -5.841 -6.105 10.199 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.636 -4.548 10.326 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.132 -8.199 10.488 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -8.989 -4.392 10.948 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.031 -9.265 11.622 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -10.884 -5.456 12.091 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.789 -7.337 12.817 1.00 0.00 H new ATOM 2097 N ARG A 139 -8.858 -6.713 7.749 1.00 0.00 N ATOM 2098 CA ARG A 139 -9.596 -7.860 7.235 1.00 0.00 C ATOM 2099 C ARG A 139 -9.455 -7.939 5.720 1.00 0.00 C ATOM 2100 O ARG A 139 -9.463 -9.023 5.140 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.072 -7.786 7.637 1.00 0.00 C ATOM 2102 CG ARG A 139 -11.826 -6.627 7.006 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.253 -6.551 7.524 1.00 0.00 C ATOM 2104 NE ARG A 139 -13.982 -7.797 7.304 1.00 0.00 N ATOM 2105 CZ ARG A 139 -15.178 -8.055 7.827 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -15.777 -7.157 8.597 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -15.775 -9.214 7.580 1.00 0.00 N ATOM 0 H ARG A 139 -9.436 -5.910 7.999 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.175 -8.765 7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -11.561 -8.719 7.358 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.139 -7.702 8.722 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.308 -5.693 7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -11.836 -6.743 5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.240 -6.322 8.590 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -13.776 -5.733 7.028 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.550 -8.510 6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -15.321 -6.265 8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -16.694 -7.358 8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.317 -9.908 6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -16.692 -9.411 7.981 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.323 -6.775 5.089 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.163 -6.703 3.643 1.00 0.00 C ATOM 2123 C ALA A 140 -7.841 -7.331 3.219 1.00 0.00 C ATOM 2124 O ALA A 140 -7.732 -7.905 2.135 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.240 -5.258 3.173 1.00 0.00 C ATOM 0 H ALA A 140 -9.324 -5.869 5.558 1.00 0.00 H new ATOM 0 HA ALA A 140 -9.974 -7.263 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.119 -5.221 2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.209 -4.838 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.448 -4.678 3.647 1.00 0.00 H new ATOM 2131 N ILE A 141 -6.838 -7.217 4.085 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.520 -7.776 3.811 1.00 0.00 C ATOM 2133 C ILE A 141 -5.355 -9.135 4.483 1.00 0.00 C ATOM 2134 O ILE A 141 -4.404 -9.866 4.205 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.401 -6.840 4.300 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.526 -6.611 5.809 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.449 -5.518 3.549 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.339 -5.897 6.416 1.00 0.00 C ATOM 0 H ILE A 141 -6.914 -6.741 4.984 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.441 -7.891 2.730 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.438 -7.310 4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.427 -6.031 6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -4.652 -7.574 6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.651 -4.867 3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.318 -5.700 2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.413 -5.038 3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.499 -5.770 7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -2.437 -6.486 6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.224 -4.919 5.948 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.289 -9.460 5.370 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.257 -10.729 6.091 1.00 0.00 C ATOM 2152 C ASP A 142 -6.229 -11.908 5.123 1.00 0.00 C ATOM 2153 O ASP A 142 -7.315 -12.328 4.672 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.470 -10.843 7.017 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.457 -12.123 7.829 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -7.961 -13.150 7.327 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -6.946 -12.100 8.968 1.00 0.00 O ATOM 2158 OXT ASP A 142 -5.120 -12.400 4.824 1.00 0.00 O ATOM 0 H ASP A 142 -7.080 -8.861 5.608 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.346 -10.754 6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -7.490 -9.988 7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.383 -10.802 6.423 1.00 0.00 H new TER 2163 ASP A 142