USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot 180:sc= -3.02! USER MOD Set 1.2: A 29 GLN :FLIP amide:sc= -2.15! C(o=-9.3!,f=-5.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0056 (180deg=-0.198) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 6 ASN : amide:sc= -1.99! C(o=-2!,f=-3.3!) USER MOD Single : A 7 MET CE :methyl 179:sc= -2.06! (180deg=-2.32!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00533 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -1.58! C(o=-3.8!,f=-1.6!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 123:sc= 0.943 USER MOD Single : A 46 SER OG : rot 157:sc= 0.0143 USER MOD Single : A 48 GLN : amide:sc= -0.767 X(o=-0.77,f=-0.42) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -160:sc= -0.215 USER MOD Single : A 73 MET CE :methyl -112:sc= 0 (180deg=-0.0266) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= -0.213 (180deg=-1.2) USER MOD Single : A 91 SER OG : rot -57:sc= 0.386 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.487 -14.640 -18.931 1.00 0.00 N ATOM 2 CA MET A 1 -20.441 -15.698 -19.005 1.00 0.00 C ATOM 3 C MET A 1 -19.690 -15.576 -20.328 1.00 0.00 C ATOM 4 O MET A 1 -19.869 -16.391 -21.233 1.00 0.00 O ATOM 5 CB MET A 1 -21.105 -17.071 -18.905 1.00 0.00 C ATOM 6 CG MET A 1 -21.766 -17.220 -17.533 1.00 0.00 C ATOM 7 SD MET A 1 -22.243 -18.947 -17.280 1.00 0.00 S ATOM 8 CE MET A 1 -20.683 -19.512 -16.558 1.00 0.00 C ATOM 0 H1 MET A 1 -21.860 -14.588 -17.962 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.072 -13.723 -19.192 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.260 -14.870 -19.588 1.00 0.00 H new ATOM 0 HA MET A 1 -19.736 -15.580 -18.182 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.849 -17.185 -19.693 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.364 -17.857 -19.050 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.078 -16.903 -16.749 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.643 -16.576 -17.468 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.755 -20.573 -16.320 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.874 -19.354 -17.271 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.479 -18.949 -15.647 1.00 0.00 H new ATOM 18 N VAL A 2 -18.851 -14.551 -20.432 1.00 0.00 N ATOM 19 CA VAL A 2 -18.074 -14.326 -21.646 1.00 0.00 C ATOM 20 C VAL A 2 -16.922 -13.367 -21.364 1.00 0.00 C ATOM 21 O VAL A 2 -15.994 -13.240 -22.162 1.00 0.00 O ATOM 22 CB VAL A 2 -18.972 -13.741 -22.739 1.00 0.00 C ATOM 23 CG1 VAL A 2 -19.624 -12.456 -22.227 1.00 0.00 C ATOM 24 CG2 VAL A 2 -18.131 -13.427 -23.980 1.00 0.00 C ATOM 0 H VAL A 2 -18.692 -13.865 -19.694 1.00 0.00 H new ATOM 0 HA VAL A 2 -17.669 -15.280 -21.983 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.745 -14.464 -22.999 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.264 -12.038 -23.004 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.223 -12.679 -21.344 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -18.850 -11.734 -21.967 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.771 -13.011 -24.758 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -17.357 -12.704 -23.722 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.665 -14.342 -24.345 1.00 0.00 H new ATOM 34 N THR A 3 -16.995 -12.695 -20.219 1.00 0.00 N ATOM 35 CA THR A 3 -15.960 -11.743 -19.826 1.00 0.00 C ATOM 36 C THR A 3 -15.943 -11.575 -18.308 1.00 0.00 C ATOM 37 O THR A 3 -16.141 -10.474 -17.795 1.00 0.00 O ATOM 38 CB THR A 3 -16.223 -10.389 -20.487 1.00 0.00 C ATOM 39 OG1 THR A 3 -16.541 -10.587 -21.856 1.00 0.00 O ATOM 40 CG2 THR A 3 -14.978 -9.509 -20.371 1.00 0.00 C ATOM 0 H THR A 3 -17.757 -12.791 -19.548 1.00 0.00 H new ATOM 0 HA THR A 3 -14.992 -12.125 -20.152 1.00 0.00 H new ATOM 0 HB THR A 3 -17.057 -9.897 -19.987 1.00 0.00 H new ATOM 0 HG1 THR A 3 -16.711 -9.720 -22.281 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.169 -8.545 -20.843 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.737 -9.357 -19.319 1.00 0.00 H new ATOM 0 HG23 THR A 3 -14.140 -9.997 -20.868 1.00 0.00 H new ATOM 48 N PRO A 4 -15.717 -12.641 -17.589 1.00 0.00 N ATOM 49 CA PRO A 4 -15.682 -12.614 -16.096 1.00 0.00 C ATOM 50 C PRO A 4 -14.414 -11.939 -15.568 1.00 0.00 C ATOM 51 O PRO A 4 -13.354 -12.558 -15.486 1.00 0.00 O ATOM 52 CB PRO A 4 -15.739 -14.101 -15.715 1.00 0.00 C ATOM 53 CG PRO A 4 -15.118 -14.817 -16.872 1.00 0.00 C ATOM 54 CD PRO A 4 -15.467 -13.995 -18.118 1.00 0.00 C ATOM 0 HA PRO A 4 -16.498 -12.035 -15.664 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -15.193 -14.294 -14.792 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.766 -14.428 -15.552 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.038 -14.896 -16.747 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.504 -15.833 -16.955 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -14.651 -13.998 -18.840 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -16.344 -14.394 -18.627 1.00 0.00 H new ATOM 62 N VAL A 5 -14.537 -10.660 -15.215 1.00 0.00 N ATOM 63 CA VAL A 5 -13.402 -9.897 -14.700 1.00 0.00 C ATOM 64 C VAL A 5 -13.199 -10.165 -13.211 1.00 0.00 C ATOM 65 O VAL A 5 -12.768 -9.286 -12.463 1.00 0.00 O ATOM 66 CB VAL A 5 -13.634 -8.402 -14.927 1.00 0.00 C ATOM 67 CG1 VAL A 5 -13.941 -8.156 -16.406 1.00 0.00 C ATOM 68 CG2 VAL A 5 -14.819 -7.928 -14.078 1.00 0.00 C ATOM 0 H VAL A 5 -15.408 -10.133 -15.276 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.506 -10.212 -15.235 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.739 -7.850 -14.639 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -14.107 -7.091 -16.571 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.100 -8.490 -17.013 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -14.836 -8.711 -16.689 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.981 -6.863 -14.242 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -15.715 -8.480 -14.363 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -14.605 -8.104 -13.024 1.00 0.00 H new ATOM 78 N ASN A 6 -13.508 -11.386 -12.788 1.00 0.00 N ATOM 79 CA ASN A 6 -13.357 -11.768 -11.385 1.00 0.00 C ATOM 80 C ASN A 6 -12.055 -11.216 -10.805 1.00 0.00 C ATOM 81 O ASN A 6 -10.987 -11.804 -10.978 1.00 0.00 O ATOM 82 CB ASN A 6 -13.366 -13.294 -11.260 1.00 0.00 C ATOM 83 CG ASN A 6 -12.448 -13.908 -12.313 1.00 0.00 C ATOM 84 OD1 ASN A 6 -11.500 -13.264 -12.765 1.00 0.00 O ATOM 85 ND2 ASN A 6 -12.671 -15.124 -12.729 1.00 0.00 N ATOM 0 H ASN A 6 -13.863 -12.127 -13.392 1.00 0.00 H new ATOM 0 HA ASN A 6 -14.192 -11.347 -10.824 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -13.037 -13.588 -10.263 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -14.381 -13.672 -11.385 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -12.060 -15.543 -13.430 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -13.456 -15.655 -12.353 1.00 0.00 H new ATOM 92 N MET A 7 -12.154 -10.085 -10.112 1.00 0.00 N ATOM 93 CA MET A 7 -10.981 -9.465 -9.504 1.00 0.00 C ATOM 94 C MET A 7 -10.400 -10.370 -8.423 1.00 0.00 C ATOM 95 O MET A 7 -11.140 -11.039 -7.700 1.00 0.00 O ATOM 96 CB MET A 7 -11.363 -8.116 -8.883 1.00 0.00 C ATOM 97 CG MET A 7 -11.935 -7.185 -9.957 1.00 0.00 C ATOM 98 SD MET A 7 -11.784 -5.469 -9.404 1.00 0.00 S ATOM 99 CE MET A 7 -12.789 -4.718 -10.708 1.00 0.00 C ATOM 0 H MET A 7 -13.028 -9.582 -9.958 1.00 0.00 H new ATOM 0 HA MET A 7 -10.232 -9.311 -10.281 1.00 0.00 H new ATOM 0 HB2 MET A 7 -12.098 -8.266 -8.092 1.00 0.00 H new ATOM 0 HB3 MET A 7 -10.488 -7.658 -8.422 1.00 0.00 H new ATOM 0 HG2 MET A 7 -11.401 -7.324 -10.897 1.00 0.00 H new ATOM 0 HG3 MET A 7 -12.981 -7.428 -10.145 1.00 0.00 H new ATOM 0 HE1 MET A 7 -12.846 -3.641 -10.549 1.00 0.00 H new ATOM 0 HE2 MET A 7 -12.334 -4.918 -11.678 1.00 0.00 H new ATOM 0 HE3 MET A 7 -13.793 -5.142 -10.684 1.00 0.00 H new ATOM 109 N SER A 8 -9.073 -10.383 -8.312 1.00 0.00 N ATOM 110 CA SER A 8 -8.406 -11.208 -7.306 1.00 0.00 C ATOM 111 C SER A 8 -8.288 -10.438 -5.997 1.00 0.00 C ATOM 112 O SER A 8 -9.119 -9.582 -5.692 1.00 0.00 O ATOM 113 CB SER A 8 -7.012 -11.609 -7.792 1.00 0.00 C ATOM 114 OG SER A 8 -7.116 -12.201 -9.081 1.00 0.00 O ATOM 0 H SER A 8 -8.443 -9.837 -8.900 1.00 0.00 H new ATOM 0 HA SER A 8 -8.999 -12.108 -7.143 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.363 -10.734 -7.832 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.558 -12.311 -7.092 1.00 0.00 H new ATOM 0 HG SER A 8 -6.224 -12.458 -9.396 1.00 0.00 H new ATOM 120 N ARG A 9 -7.240 -10.733 -5.233 1.00 0.00 N ATOM 121 CA ARG A 9 -7.002 -10.052 -3.966 1.00 0.00 C ATOM 122 C ARG A 9 -5.506 -9.852 -3.772 1.00 0.00 C ATOM 123 O ARG A 9 -5.041 -8.729 -3.586 1.00 0.00 O ATOM 124 CB ARG A 9 -7.589 -10.859 -2.800 1.00 0.00 C ATOM 125 CG ARG A 9 -7.044 -12.293 -2.813 1.00 0.00 C ATOM 126 CD ARG A 9 -7.954 -13.195 -1.974 1.00 0.00 C ATOM 127 NE ARG A 9 -7.391 -14.537 -1.882 1.00 0.00 N ATOM 128 CZ ARG A 9 -8.040 -15.509 -1.248 1.00 0.00 C ATOM 129 NH1 ARG A 9 -9.206 -15.273 -0.714 1.00 0.00 N ATOM 130 NH2 ARG A 9 -7.514 -16.700 -1.168 1.00 0.00 N ATOM 0 H ARG A 9 -6.543 -11.439 -5.470 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.495 -9.080 -3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.340 -10.377 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.676 -10.876 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.991 -12.664 -3.837 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.030 -12.311 -2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.074 -12.774 -0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.947 -13.240 -2.422 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.486 -14.733 -2.310 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.620 -14.343 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.704 -16.018 -0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.605 -16.886 -1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.012 -17.446 -0.682 1.00 0.00 H new ATOM 144 N GLU A 10 -4.742 -10.938 -3.850 1.00 0.00 N ATOM 145 CA GLU A 10 -3.294 -10.850 -3.705 1.00 0.00 C ATOM 146 C GLU A 10 -2.767 -9.651 -4.488 1.00 0.00 C ATOM 147 O GLU A 10 -1.716 -9.098 -4.169 1.00 0.00 O ATOM 148 CB GLU A 10 -2.648 -12.147 -4.201 1.00 0.00 C ATOM 149 CG GLU A 10 -1.127 -11.982 -4.298 1.00 0.00 C ATOM 150 CD GLU A 10 -0.466 -13.341 -4.513 1.00 0.00 C ATOM 151 OE1 GLU A 10 -1.189 -14.308 -4.691 1.00 0.00 O ATOM 152 OE2 GLU A 10 0.753 -13.394 -4.498 1.00 0.00 O ATOM 0 H GLU A 10 -5.098 -11.880 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.040 -10.714 -2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.889 -12.964 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.054 -12.414 -5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.878 -11.313 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.744 -11.522 -3.387 1.00 0.00 H new ATOM 159 N THR A 11 -3.530 -9.235 -5.496 1.00 0.00 N ATOM 160 CA THR A 11 -3.154 -8.080 -6.292 1.00 0.00 C ATOM 161 C THR A 11 -3.417 -6.840 -5.458 1.00 0.00 C ATOM 162 O THR A 11 -2.547 -5.991 -5.277 1.00 0.00 O ATOM 163 CB THR A 11 -3.985 -8.047 -7.584 1.00 0.00 C ATOM 164 OG1 THR A 11 -3.523 -9.060 -8.466 1.00 0.00 O ATOM 165 CG2 THR A 11 -3.858 -6.682 -8.267 1.00 0.00 C ATOM 0 H THR A 11 -4.404 -9.679 -5.776 1.00 0.00 H new ATOM 0 HA THR A 11 -2.101 -8.127 -6.570 1.00 0.00 H new ATOM 0 HB THR A 11 -5.032 -8.220 -7.335 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.053 -9.042 -9.290 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.453 -6.676 -9.181 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.218 -5.904 -7.594 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.813 -6.494 -8.513 1.00 0.00 H new ATOM 173 N ALA A 12 -4.629 -6.784 -4.932 1.00 0.00 N ATOM 174 CA ALA A 12 -5.050 -5.687 -4.077 1.00 0.00 C ATOM 175 C ALA A 12 -4.146 -5.606 -2.854 1.00 0.00 C ATOM 176 O ALA A 12 -3.330 -4.697 -2.727 1.00 0.00 O ATOM 177 CB ALA A 12 -6.491 -5.928 -3.635 1.00 0.00 C ATOM 0 H ALA A 12 -5.346 -7.494 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.984 -4.749 -4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.816 -5.110 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.137 -5.980 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.551 -6.867 -3.085 1.00 0.00 H new ATOM 183 N LEU A 13 -4.316 -6.571 -1.960 1.00 0.00 N ATOM 184 CA LEU A 13 -3.538 -6.657 -0.724 1.00 0.00 C ATOM 185 C LEU A 13 -2.128 -6.071 -0.888 1.00 0.00 C ATOM 186 O LEU A 13 -1.686 -5.251 -0.083 1.00 0.00 O ATOM 187 CB LEU A 13 -3.416 -8.137 -0.326 1.00 0.00 C ATOM 188 CG LEU A 13 -4.713 -8.655 0.329 1.00 0.00 C ATOM 189 CD1 LEU A 13 -5.955 -8.240 -0.471 1.00 0.00 C ATOM 190 CD2 LEU A 13 -4.656 -10.184 0.376 1.00 0.00 C ATOM 0 H LEU A 13 -4.999 -7.321 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.054 -6.079 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.189 -8.735 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.583 -8.261 0.366 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.788 -8.226 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.849 -8.623 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.007 -7.153 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.892 -8.649 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.566 -10.568 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.569 -10.576 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.792 -10.498 0.962 1.00 0.00 H new ATOM 202 N ARG A 14 -1.423 -6.531 -1.917 1.00 0.00 N ATOM 203 CA ARG A 14 -0.050 -6.093 -2.172 1.00 0.00 C ATOM 204 C ARG A 14 0.076 -4.572 -2.309 1.00 0.00 C ATOM 205 O ARG A 14 1.121 -4.007 -1.985 1.00 0.00 O ATOM 206 CB ARG A 14 0.471 -6.767 -3.449 1.00 0.00 C ATOM 207 CG ARG A 14 0.688 -8.275 -3.207 1.00 0.00 C ATOM 208 CD ARG A 14 2.078 -8.526 -2.607 1.00 0.00 C ATOM 209 NE ARG A 14 2.289 -9.956 -2.415 1.00 0.00 N ATOM 210 CZ ARG A 14 2.488 -10.767 -3.447 1.00 0.00 C ATOM 211 NH1 ARG A 14 2.501 -10.285 -4.660 1.00 0.00 N ATOM 212 NH2 ARG A 14 2.670 -12.043 -3.251 1.00 0.00 N ATOM 0 H ARG A 14 -1.779 -7.209 -2.591 1.00 0.00 H new ATOM 0 HA ARG A 14 0.547 -6.387 -1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.240 -6.621 -4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.408 -6.303 -3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.080 -8.656 -2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.587 -8.819 -4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.846 -8.122 -3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.171 -8.005 -1.654 1.00 0.00 H new ATOM 0 HE ARG A 14 2.284 -10.340 -1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.358 -9.287 -4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.654 -10.907 -5.454 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.660 -12.420 -2.303 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.823 -12.664 -4.045 1.00 0.00 H new ATOM 226 N ILE A 15 -0.966 -3.909 -2.796 1.00 0.00 N ATOM 227 CA ILE A 15 -0.910 -2.456 -2.970 1.00 0.00 C ATOM 228 C ILE A 15 -0.786 -1.739 -1.627 1.00 0.00 C ATOM 229 O ILE A 15 -0.410 -0.568 -1.581 1.00 0.00 O ATOM 230 CB ILE A 15 -2.166 -1.946 -3.688 1.00 0.00 C ATOM 231 CG1 ILE A 15 -2.395 -2.723 -4.993 1.00 0.00 C ATOM 232 CG2 ILE A 15 -2.006 -0.458 -4.009 1.00 0.00 C ATOM 233 CD1 ILE A 15 -1.123 -2.727 -5.849 1.00 0.00 C ATOM 0 H ILE A 15 -1.847 -4.341 -3.074 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.028 -2.240 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.024 -2.094 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.690 -3.747 -4.766 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.215 -2.272 -5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.899 -0.098 -4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.866 0.101 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.138 -0.316 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.305 -3.282 -6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.845 -1.702 -6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.313 -3.200 -5.294 1.00 0.00 H new ATOM 245 N ALA A 16 -1.117 -2.431 -0.536 1.00 0.00 N ATOM 246 CA ALA A 16 -1.053 -1.826 0.797 1.00 0.00 C ATOM 247 C ALA A 16 0.201 -2.239 1.548 1.00 0.00 C ATOM 248 O ALA A 16 0.603 -1.576 2.504 1.00 0.00 O ATOM 249 CB ALA A 16 -2.298 -2.197 1.600 1.00 0.00 C ATOM 0 H ALA A 16 -1.429 -3.402 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.014 -0.744 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.242 -1.743 2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.186 -1.833 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.356 -3.281 1.701 1.00 0.00 H new ATOM 255 N LEU A 17 0.834 -3.312 1.109 1.00 0.00 N ATOM 256 CA LEU A 17 2.061 -3.754 1.757 1.00 0.00 C ATOM 257 C LEU A 17 3.165 -2.754 1.438 1.00 0.00 C ATOM 258 O LEU A 17 4.095 -2.561 2.220 1.00 0.00 O ATOM 259 CB LEU A 17 2.445 -5.170 1.269 1.00 0.00 C ATOM 260 CG LEU A 17 1.953 -6.243 2.266 1.00 0.00 C ATOM 261 CD1 LEU A 17 2.738 -6.153 3.595 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.446 -6.059 2.529 1.00 0.00 C ATOM 0 H LEU A 17 0.529 -3.885 0.323 1.00 0.00 H new ATOM 0 HA LEU A 17 1.916 -3.803 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.009 -5.352 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.527 -5.240 1.156 1.00 0.00 H new ATOM 0 HG LEU A 17 2.125 -7.228 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.377 -6.917 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.799 -6.311 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.592 -5.168 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.104 -6.818 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.268 -5.069 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.102 -6.160 1.592 1.00 0.00 H new ATOM 274 N ALA A 18 3.037 -2.113 0.284 1.00 0.00 N ATOM 275 CA ALA A 18 4.009 -1.121 -0.146 1.00 0.00 C ATOM 276 C ALA A 18 4.124 -0.009 0.885 1.00 0.00 C ATOM 277 O ALA A 18 5.223 0.434 1.207 1.00 0.00 O ATOM 278 CB ALA A 18 3.588 -0.552 -1.495 1.00 0.00 C ATOM 0 H ALA A 18 2.269 -2.263 -0.370 1.00 0.00 H new ATOM 0 HA ALA A 18 4.985 -1.595 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.316 0.192 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.539 -1.356 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.608 -0.085 -1.403 1.00 0.00 H new ATOM 284 N ALA A 19 2.986 0.438 1.408 1.00 0.00 N ATOM 285 CA ALA A 19 2.992 1.500 2.414 1.00 0.00 C ATOM 286 C ALA A 19 4.147 1.281 3.397 1.00 0.00 C ATOM 287 O ALA A 19 4.747 2.236 3.888 1.00 0.00 O ATOM 288 CB ALA A 19 1.654 1.537 3.157 1.00 0.00 C ATOM 0 H ALA A 19 2.061 0.089 1.158 1.00 0.00 H new ATOM 0 HA ALA A 19 3.133 2.459 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.674 2.332 3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.849 1.725 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.486 0.580 3.652 1.00 0.00 H new ATOM 294 N ARG A 20 4.463 0.010 3.659 1.00 0.00 N ATOM 295 CA ARG A 20 5.562 -0.320 4.561 1.00 0.00 C ATOM 296 C ARG A 20 6.899 0.055 3.924 1.00 0.00 C ATOM 297 O ARG A 20 7.776 0.610 4.586 1.00 0.00 O ATOM 298 CB ARG A 20 5.551 -1.815 4.885 1.00 0.00 C ATOM 299 CG ARG A 20 6.579 -2.102 5.983 1.00 0.00 C ATOM 300 CD ARG A 20 6.541 -3.587 6.347 1.00 0.00 C ATOM 301 NE ARG A 20 7.327 -3.832 7.551 1.00 0.00 N ATOM 302 CZ ARG A 20 6.874 -3.481 8.750 1.00 0.00 C ATOM 303 NH1 ARG A 20 5.701 -2.919 8.866 1.00 0.00 N ATOM 304 NH2 ARG A 20 7.599 -3.701 9.813 1.00 0.00 N ATOM 0 H ARG A 20 3.979 -0.796 3.264 1.00 0.00 H new ATOM 0 HA ARG A 20 5.433 0.247 5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.557 -2.121 5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.785 -2.394 3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.577 -1.826 5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.364 -1.496 6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.510 -3.903 6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.933 -4.181 5.521 1.00 0.00 H new ATOM 0 HE ARG A 20 8.240 -4.280 7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.132 -2.749 8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.353 -2.650 9.786 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.514 -4.143 9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.250 -3.431 10.733 1.00 0.00 H new ATOM 318 N ALA A 21 7.046 -0.244 2.633 1.00 0.00 N ATOM 319 CA ALA A 21 8.279 0.077 1.914 1.00 0.00 C ATOM 320 C ALA A 21 8.575 1.557 2.025 1.00 0.00 C ATOM 321 O ALA A 21 9.617 2.036 1.574 1.00 0.00 O ATOM 322 CB ALA A 21 8.130 -0.269 0.432 1.00 0.00 C ATOM 0 H ALA A 21 6.333 -0.704 2.067 1.00 0.00 H new ATOM 0 HA ALA A 21 9.090 -0.503 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.054 -0.026 -0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.922 -1.334 0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.308 0.306 0.005 1.00 0.00 H new ATOM 328 N LEU A 22 7.639 2.283 2.614 1.00 0.00 N ATOM 329 CA LEU A 22 7.763 3.718 2.780 1.00 0.00 C ATOM 330 C LEU A 22 7.797 4.051 4.277 1.00 0.00 C ATOM 331 O LEU A 22 7.196 3.335 5.078 1.00 0.00 O ATOM 332 CB LEU A 22 6.551 4.391 2.125 1.00 0.00 C ATOM 333 CG LEU A 22 6.212 3.724 0.776 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.911 4.331 0.235 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.361 3.940 -0.230 1.00 0.00 C ATOM 0 H LEU A 22 6.774 1.893 2.989 1.00 0.00 H new ATOM 0 HA LEU A 22 8.680 4.077 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.691 4.329 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.758 5.450 1.970 1.00 0.00 H new ATOM 0 HG LEU A 22 6.083 2.651 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.662 3.866 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.104 4.155 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.042 5.404 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.109 3.464 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.510 5.008 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.277 3.500 0.164 1.00 0.00 H new ATOM 347 N PRO A 23 8.472 5.099 4.678 1.00 0.00 N ATOM 348 CA PRO A 23 8.555 5.485 6.121 1.00 0.00 C ATOM 349 C PRO A 23 7.180 5.787 6.727 1.00 0.00 C ATOM 350 O PRO A 23 6.536 4.904 7.293 1.00 0.00 O ATOM 351 CB PRO A 23 9.464 6.730 6.125 1.00 0.00 C ATOM 352 CG PRO A 23 9.403 7.256 4.727 1.00 0.00 C ATOM 353 CD PRO A 23 9.233 6.033 3.829 1.00 0.00 C ATOM 0 HA PRO A 23 8.949 4.675 6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.114 7.472 6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.485 6.473 6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.570 7.949 4.606 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.312 7.803 4.475 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.694 6.277 2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.194 5.615 3.531 1.00 0.00 H new ATOM 361 N GLY A 24 6.745 7.044 6.624 1.00 0.00 N ATOM 362 CA GLY A 24 5.457 7.457 7.189 1.00 0.00 C ATOM 363 C GLY A 24 4.358 7.536 6.130 1.00 0.00 C ATOM 364 O GLY A 24 3.186 7.710 6.463 1.00 0.00 O ATOM 0 H GLY A 24 7.261 7.790 6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.160 6.752 7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.568 8.430 7.668 1.00 0.00 H new ATOM 368 N THR A 25 4.730 7.412 4.860 1.00 0.00 N ATOM 369 CA THR A 25 3.739 7.480 3.788 1.00 0.00 C ATOM 370 C THR A 25 2.692 6.384 3.959 1.00 0.00 C ATOM 371 O THR A 25 3.024 5.221 4.186 1.00 0.00 O ATOM 372 CB THR A 25 4.416 7.329 2.425 1.00 0.00 C ATOM 373 OG1 THR A 25 5.601 8.112 2.392 1.00 0.00 O ATOM 374 CG2 THR A 25 3.466 7.790 1.319 1.00 0.00 C ATOM 0 H THR A 25 5.691 7.267 4.550 1.00 0.00 H new ATOM 0 HA THR A 25 3.250 8.453 3.839 1.00 0.00 H new ATOM 0 HB THR A 25 4.669 6.281 2.266 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.034 8.013 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.954 7.680 0.351 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.561 7.183 1.340 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.205 8.836 1.477 1.00 0.00 H new ATOM 382 N THR A 26 1.424 6.769 3.851 1.00 0.00 N ATOM 383 CA THR A 26 0.320 5.826 3.996 1.00 0.00 C ATOM 384 C THR A 26 -0.052 5.234 2.634 1.00 0.00 C ATOM 385 O THR A 26 0.361 5.735 1.589 1.00 0.00 O ATOM 386 CB THR A 26 -0.892 6.562 4.622 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.552 7.926 4.810 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.250 5.954 5.980 1.00 0.00 C ATOM 0 H THR A 26 1.135 7.729 3.663 1.00 0.00 H new ATOM 0 HA THR A 26 0.619 5.006 4.649 1.00 0.00 H new ATOM 0 HB THR A 26 -1.747 6.465 3.953 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.313 8.401 5.204 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.103 6.485 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.504 4.902 5.852 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.398 6.042 6.654 1.00 0.00 H new ATOM 396 N VAL A 27 -0.825 4.159 2.667 1.00 0.00 N ATOM 397 CA VAL A 27 -1.245 3.487 1.443 1.00 0.00 C ATOM 398 C VAL A 27 -1.986 4.442 0.519 1.00 0.00 C ATOM 399 O VAL A 27 -1.631 4.598 -0.649 1.00 0.00 O ATOM 400 CB VAL A 27 -2.183 2.318 1.763 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.416 1.496 0.493 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.582 1.415 2.845 1.00 0.00 C ATOM 0 H VAL A 27 -1.174 3.733 3.525 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.342 3.124 0.952 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.127 2.721 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.083 0.663 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.868 2.128 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.463 1.111 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.266 0.593 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.630 1.015 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.422 1.994 3.754 1.00 0.00 H new ATOM 412 N GLY A 28 -3.041 5.049 1.045 1.00 0.00 N ATOM 413 CA GLY A 28 -3.860 5.957 0.258 1.00 0.00 C ATOM 414 C GLY A 28 -3.174 7.291 -0.008 1.00 0.00 C ATOM 415 O GLY A 28 -3.806 8.212 -0.525 1.00 0.00 O ATOM 0 H GLY A 28 -3.348 4.929 2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.107 5.485 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.801 6.135 0.779 1.00 0.00 H new ATOM 419 N GLN A 29 -1.889 7.416 0.338 1.00 0.00 N ATOM 420 CA GLN A 29 -1.185 8.682 0.105 1.00 0.00 C ATOM 421 C GLN A 29 -0.395 8.629 -1.198 1.00 0.00 C ATOM 422 O GLN A 29 -0.020 9.667 -1.741 1.00 0.00 O ATOM 423 CB GLN A 29 -0.231 8.988 1.275 1.00 0.00 C ATOM 424 CG GLN A 29 -1.008 9.574 2.461 1.00 0.00 C ATOM 425 CD GLN A 29 -0.034 10.122 3.500 1.00 0.00 C ATOM 426 OE1 GLN A 29 1.210 9.728 3.488 1.00 0.00 O flip ATOM 427 NE2 GLN A 29 -0.417 10.931 4.344 1.00 0.00 N flip ATOM 0 H GLN A 29 -1.328 6.680 0.768 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.930 9.474 0.033 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.281 8.076 1.583 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.537 9.691 0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.670 10.368 2.116 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.638 8.806 2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.390 11.238 4.352 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.238 11.295 5.036 1.00 0.00 H new ATOM 436 N LEU A 30 -0.134 7.423 -1.695 1.00 0.00 N ATOM 437 CA LEU A 30 0.632 7.273 -2.933 1.00 0.00 C ATOM 438 C LEU A 30 -0.268 7.376 -4.166 1.00 0.00 C ATOM 439 O LEU A 30 0.134 7.943 -5.182 1.00 0.00 O ATOM 440 CB LEU A 30 1.366 5.925 -2.926 1.00 0.00 C ATOM 441 CG LEU A 30 2.099 5.699 -4.259 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.035 6.880 -4.559 1.00 0.00 C ATOM 443 CD2 LEU A 30 2.919 4.408 -4.162 1.00 0.00 C ATOM 0 H LEU A 30 -0.435 6.547 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 30 1.358 8.085 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.080 5.898 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.653 5.118 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 30 1.368 5.619 -5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.547 6.707 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.452 7.799 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.770 6.973 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.443 4.238 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.644 4.498 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.253 3.569 -3.961 1.00 0.00 H new ATOM 455 N LEU A 31 -1.479 6.826 -4.088 1.00 0.00 N ATOM 456 CA LEU A 31 -2.394 6.877 -5.229 1.00 0.00 C ATOM 457 C LEU A 31 -3.054 8.247 -5.339 1.00 0.00 C ATOM 458 O LEU A 31 -3.360 8.709 -6.437 1.00 0.00 O ATOM 459 CB LEU A 31 -3.467 5.783 -5.101 1.00 0.00 C ATOM 460 CG LEU A 31 -4.267 5.944 -3.776 1.00 0.00 C ATOM 461 CD1 LEU A 31 -5.587 6.692 -4.030 1.00 0.00 C ATOM 462 CD2 LEU A 31 -4.591 4.558 -3.193 1.00 0.00 C ATOM 0 H LEU A 31 -1.845 6.349 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.815 6.702 -6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.148 5.834 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.996 4.800 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.657 6.514 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.133 6.795 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.373 7.681 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.192 6.131 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.151 4.675 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.188 3.993 -3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.663 4.022 -2.991 1.00 0.00 H new ATOM 474 N GLU A 32 -3.286 8.884 -4.192 1.00 0.00 N ATOM 475 CA GLU A 32 -3.925 10.200 -4.154 1.00 0.00 C ATOM 476 C GLU A 32 -3.513 11.066 -5.348 1.00 0.00 C ATOM 477 O GLU A 32 -4.266 11.940 -5.778 1.00 0.00 O ATOM 478 CB GLU A 32 -3.545 10.916 -2.855 1.00 0.00 C ATOM 479 CG GLU A 32 -4.428 12.153 -2.666 1.00 0.00 C ATOM 480 CD GLU A 32 -5.861 11.729 -2.361 1.00 0.00 C ATOM 481 OE1 GLU A 32 -6.050 10.590 -1.968 1.00 0.00 O ATOM 482 OE2 GLU A 32 -6.747 12.552 -2.522 1.00 0.00 O ATOM 0 H GLU A 32 -3.041 8.510 -3.275 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.003 10.049 -4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.664 10.240 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.495 11.208 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.040 12.766 -1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.405 12.767 -3.566 1.00 0.00 H new ATOM 489 N ILE A 33 -2.319 10.819 -5.877 1.00 0.00 N ATOM 490 CA ILE A 33 -1.828 11.589 -7.017 1.00 0.00 C ATOM 491 C ILE A 33 -2.810 11.517 -8.185 1.00 0.00 C ATOM 492 O ILE A 33 -3.056 12.514 -8.863 1.00 0.00 O ATOM 493 CB ILE A 33 -0.465 11.056 -7.464 1.00 0.00 C ATOM 494 CG1 ILE A 33 0.040 11.885 -8.650 1.00 0.00 C ATOM 495 CG2 ILE A 33 -0.599 9.592 -7.890 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.482 11.496 -8.980 1.00 0.00 C ATOM 0 H ILE A 33 -1.679 10.100 -5.540 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.729 12.629 -6.706 1.00 0.00 H new ATOM 0 HB ILE A 33 0.241 11.129 -6.637 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.598 11.720 -9.518 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.014 12.947 -8.412 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.373 9.215 -8.208 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.960 9.000 -7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.305 9.517 -8.717 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.835 12.089 -9.824 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.117 11.684 -8.114 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.523 10.438 -9.238 1.00 0.00 H new ATOM 508 N LEU A 34 -3.362 10.330 -8.419 1.00 0.00 N ATOM 509 CA LEU A 34 -4.310 10.138 -9.514 1.00 0.00 C ATOM 510 C LEU A 34 -5.700 10.629 -9.111 1.00 0.00 C ATOM 511 O LEU A 34 -6.118 11.719 -9.502 1.00 0.00 O ATOM 512 CB LEU A 34 -4.365 8.651 -9.895 1.00 0.00 C ATOM 513 CG LEU A 34 -5.453 8.400 -10.949 1.00 0.00 C ATOM 514 CD1 LEU A 34 -5.255 9.335 -12.152 1.00 0.00 C ATOM 515 CD2 LEU A 34 -5.363 6.944 -11.415 1.00 0.00 C ATOM 0 H LEU A 34 -3.172 9.492 -7.870 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.977 10.718 -10.375 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.397 8.334 -10.282 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.566 8.050 -9.008 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.432 8.595 -10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.033 9.146 -12.891 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.313 10.372 -11.820 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.278 9.151 -12.599 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.131 6.754 -12.164 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.380 6.761 -11.849 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.514 6.280 -10.564 1.00 0.00 H new ATOM 527 N HIS A 35 -6.408 9.820 -8.326 1.00 0.00 N ATOM 528 CA HIS A 35 -7.748 10.187 -7.876 1.00 0.00 C ATOM 529 C HIS A 35 -8.678 10.392 -9.071 1.00 0.00 C ATOM 530 O HIS A 35 -8.713 9.574 -9.990 1.00 0.00 O ATOM 531 CB HIS A 35 -7.682 11.473 -7.044 1.00 0.00 C ATOM 532 CG HIS A 35 -8.978 11.669 -6.306 1.00 0.00 C ATOM 533 ND1 HIS A 35 -9.948 12.638 -6.396 1.00 0.00 N flip ATOM 534 CD2 HIS A 35 -9.406 10.796 -5.318 1.00 0.00 C flip ATOM 535 CE1 HIS A 35 -10.960 12.374 -5.478 1.00 0.00 C flip ATOM 536 NE2 HIS A 35 -10.584 11.253 -4.856 1.00 0.00 N flip ATOM 0 H HIS A 35 -6.080 8.914 -7.991 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.143 9.378 -7.262 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.855 11.417 -6.336 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.489 12.327 -7.693 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.888 9.910 -4.981 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.856 12.951 -5.305 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.125 10.799 -4.120 1.00 0.00 H new ATOM 545 N GLN A 36 -9.426 11.491 -9.053 1.00 0.00 N ATOM 546 CA GLN A 36 -10.347 11.799 -10.139 1.00 0.00 C ATOM 547 C GLN A 36 -11.271 10.619 -10.422 1.00 0.00 C ATOM 548 O GLN A 36 -11.179 9.574 -9.778 1.00 0.00 O ATOM 549 CB GLN A 36 -9.558 12.154 -11.401 1.00 0.00 C ATOM 550 CG GLN A 36 -8.839 13.488 -11.189 1.00 0.00 C ATOM 551 CD GLN A 36 -8.046 13.859 -12.437 1.00 0.00 C ATOM 552 OE1 GLN A 36 -8.256 14.926 -13.013 1.00 0.00 O ATOM 553 NE2 GLN A 36 -7.138 13.039 -12.892 1.00 0.00 N ATOM 0 H GLN A 36 -9.412 12.180 -8.301 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.959 12.650 -9.840 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.835 11.370 -11.625 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.230 12.222 -12.257 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.565 14.270 -10.964 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.170 13.417 -10.331 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.964 12.155 -12.414 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.602 13.283 -13.725 1.00 0.00 H new ATOM 562 N ARG A 37 -12.167 10.798 -11.389 1.00 0.00 N ATOM 563 CA ARG A 37 -13.109 9.747 -11.751 1.00 0.00 C ATOM 564 C ARG A 37 -12.391 8.619 -12.487 1.00 0.00 C ATOM 565 O ARG A 37 -11.541 8.866 -13.343 1.00 0.00 O ATOM 566 CB ARG A 37 -14.214 10.332 -12.639 1.00 0.00 C ATOM 567 CG ARG A 37 -15.233 9.248 -13.023 1.00 0.00 C ATOM 568 CD ARG A 37 -15.926 8.700 -11.769 1.00 0.00 C ATOM 569 NE ARG A 37 -17.229 8.140 -12.121 1.00 0.00 N ATOM 570 CZ ARG A 37 -17.795 7.186 -11.385 1.00 0.00 C ATOM 571 NH1 ARG A 37 -17.187 6.727 -10.325 1.00 0.00 N ATOM 572 NH2 ARG A 37 -18.960 6.707 -11.723 1.00 0.00 N ATOM 0 H ARG A 37 -12.259 11.656 -11.932 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.552 9.340 -10.842 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -14.719 11.143 -12.114 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.775 10.761 -13.540 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.975 9.662 -13.705 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.731 8.438 -13.552 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.305 7.933 -11.306 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.050 9.496 -11.035 1.00 0.00 H new ATOM 0 HE ARG A 37 -17.715 8.487 -12.948 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.276 7.099 -10.059 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.623 5.996 -9.763 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -19.437 7.063 -12.551 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -19.394 5.976 -11.159 1.00 0.00 H new ATOM 586 N ILE A 38 -12.740 7.383 -12.150 1.00 0.00 N ATOM 587 CA ILE A 38 -12.124 6.223 -12.787 1.00 0.00 C ATOM 588 C ILE A 38 -12.315 6.280 -14.302 1.00 0.00 C ATOM 589 O ILE A 38 -13.432 6.432 -14.792 1.00 0.00 O ATOM 590 CB ILE A 38 -12.748 4.933 -12.228 1.00 0.00 C ATOM 591 CG1 ILE A 38 -14.251 5.151 -12.021 1.00 0.00 C ATOM 592 CG2 ILE A 38 -12.095 4.574 -10.887 1.00 0.00 C ATOM 593 CD1 ILE A 38 -14.944 3.804 -11.802 1.00 0.00 C ATOM 0 H ILE A 38 -13.441 7.158 -11.444 1.00 0.00 H new ATOM 0 HA ILE A 38 -11.055 6.231 -12.572 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.585 4.118 -12.933 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.419 5.801 -11.162 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.678 5.653 -12.889 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -12.542 3.659 -10.498 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -11.026 4.422 -11.032 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -12.252 5.386 -10.177 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.012 3.964 -11.655 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.789 3.169 -12.674 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -14.525 3.319 -10.920 1.00 0.00 H new ATOM 605 N GLU A 39 -11.212 6.155 -15.037 1.00 0.00 N ATOM 606 CA GLU A 39 -11.265 6.192 -16.495 1.00 0.00 C ATOM 607 C GLU A 39 -11.891 4.909 -17.035 1.00 0.00 C ATOM 608 O GLU A 39 -12.706 4.945 -17.957 1.00 0.00 O ATOM 609 CB GLU A 39 -9.849 6.363 -17.063 1.00 0.00 C ATOM 610 CG GLU A 39 -9.913 6.762 -18.544 1.00 0.00 C ATOM 611 CD GLU A 39 -10.235 5.544 -19.403 1.00 0.00 C ATOM 612 OE1 GLU A 39 -9.343 4.740 -19.613 1.00 0.00 O ATOM 613 OE2 GLU A 39 -11.369 5.435 -19.840 1.00 0.00 O ATOM 0 H GLU A 39 -10.277 6.028 -14.649 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.880 7.038 -16.803 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.312 7.125 -16.497 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.291 5.433 -16.954 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.673 7.530 -18.689 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.961 7.193 -18.854 1.00 0.00 H new ATOM 620 N GLY A 40 -11.510 3.779 -16.452 1.00 0.00 N ATOM 621 CA GLY A 40 -12.046 2.491 -16.879 1.00 0.00 C ATOM 622 C GLY A 40 -11.346 1.342 -16.154 1.00 0.00 C ATOM 623 O GLY A 40 -11.839 0.854 -15.136 1.00 0.00 O ATOM 0 H GLY A 40 -10.837 3.727 -15.688 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.117 2.454 -16.679 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.919 2.378 -17.956 1.00 0.00 H new ATOM 627 N PRO A 41 -10.215 0.905 -16.646 1.00 0.00 N ATOM 628 CA PRO A 41 -9.443 -0.207 -16.015 1.00 0.00 C ATOM 629 C PRO A 41 -8.867 0.205 -14.659 1.00 0.00 C ATOM 630 O PRO A 41 -8.421 1.340 -14.483 1.00 0.00 O ATOM 631 CB PRO A 41 -8.331 -0.505 -17.036 1.00 0.00 C ATOM 632 CG PRO A 41 -8.163 0.762 -17.813 1.00 0.00 C ATOM 633 CD PRO A 41 -9.541 1.423 -17.852 1.00 0.00 C ATOM 0 HA PRO A 41 -10.062 -1.079 -15.803 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.404 -0.787 -16.537 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.607 -1.333 -17.688 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.431 1.416 -17.339 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.801 0.556 -18.820 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.464 2.510 -17.831 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.085 1.159 -18.759 1.00 0.00 H new ATOM 641 N LEU A 42 -8.885 -0.723 -13.701 1.00 0.00 N ATOM 642 CA LEU A 42 -8.368 -0.446 -12.358 1.00 0.00 C ATOM 643 C LEU A 42 -7.587 -1.647 -11.826 1.00 0.00 C ATOM 644 O LEU A 42 -7.586 -1.922 -10.626 1.00 0.00 O ATOM 645 CB LEU A 42 -9.526 -0.094 -11.402 1.00 0.00 C ATOM 646 CG LEU A 42 -10.757 -0.958 -11.707 1.00 0.00 C ATOM 647 CD1 LEU A 42 -10.446 -2.431 -11.425 1.00 0.00 C ATOM 648 CD2 LEU A 42 -11.920 -0.503 -10.818 1.00 0.00 C ATOM 0 H LEU A 42 -9.249 -1.667 -13.828 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.691 0.407 -12.417 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.213 -0.249 -10.370 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.781 0.961 -11.503 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.026 -0.847 -12.757 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.325 -3.037 -11.644 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.616 -2.755 -12.054 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.175 -2.551 -10.376 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.799 -1.112 -11.029 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.643 -0.616 -9.770 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.146 0.543 -11.022 1.00 0.00 H new ATOM 660 N THR A 43 -6.910 -2.353 -12.732 1.00 0.00 N ATOM 661 CA THR A 43 -6.109 -3.523 -12.354 1.00 0.00 C ATOM 662 C THR A 43 -4.641 -3.128 -12.223 1.00 0.00 C ATOM 663 O THR A 43 -4.272 -1.982 -12.483 1.00 0.00 O ATOM 664 CB THR A 43 -6.251 -4.634 -13.414 1.00 0.00 C ATOM 665 OG1 THR A 43 -5.157 -4.574 -14.318 1.00 0.00 O ATOM 666 CG2 THR A 43 -7.555 -4.447 -14.191 1.00 0.00 C ATOM 0 H THR A 43 -6.898 -2.138 -13.729 1.00 0.00 H new ATOM 0 HA THR A 43 -6.470 -3.897 -11.396 1.00 0.00 H new ATOM 0 HB THR A 43 -6.262 -5.602 -12.914 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.687 -5.434 -14.320 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.649 -5.235 -14.938 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.399 -4.496 -13.503 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.547 -3.476 -14.686 1.00 0.00 H new ATOM 674 N GLU A 44 -3.805 -4.083 -11.826 1.00 0.00 N ATOM 675 CA GLU A 44 -2.380 -3.815 -11.672 1.00 0.00 C ATOM 676 C GLU A 44 -1.802 -3.254 -12.966 1.00 0.00 C ATOM 677 O GLU A 44 -0.893 -2.425 -12.942 1.00 0.00 O ATOM 678 CB GLU A 44 -1.628 -5.096 -11.278 1.00 0.00 C ATOM 679 CG GLU A 44 -1.689 -6.130 -12.411 1.00 0.00 C ATOM 680 CD GLU A 44 -3.138 -6.456 -12.755 1.00 0.00 C ATOM 681 OE1 GLU A 44 -3.830 -6.967 -11.890 1.00 0.00 O ATOM 682 OE2 GLU A 44 -3.533 -6.190 -13.878 1.00 0.00 O ATOM 0 H GLU A 44 -4.086 -5.039 -11.607 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.256 -3.077 -10.879 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.589 -4.859 -11.051 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.064 -5.516 -10.372 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.177 -5.744 -13.292 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.166 -7.038 -12.112 1.00 0.00 H new ATOM 689 N GLU A 45 -2.337 -3.711 -14.094 1.00 0.00 N ATOM 690 CA GLU A 45 -1.867 -3.249 -15.395 1.00 0.00 C ATOM 691 C GLU A 45 -2.041 -1.741 -15.524 1.00 0.00 C ATOM 692 O GLU A 45 -1.205 -1.056 -16.113 1.00 0.00 O ATOM 693 CB GLU A 45 -2.645 -3.948 -16.513 1.00 0.00 C ATOM 694 CG GLU A 45 -2.257 -5.426 -16.561 1.00 0.00 C ATOM 695 CD GLU A 45 -3.114 -6.154 -17.591 1.00 0.00 C ATOM 696 OE1 GLU A 45 -4.282 -5.818 -17.704 1.00 0.00 O ATOM 697 OE2 GLU A 45 -2.589 -7.033 -18.252 1.00 0.00 O ATOM 0 H GLU A 45 -3.091 -4.396 -14.134 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.808 -3.492 -15.481 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.717 -3.848 -16.341 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.430 -3.474 -17.471 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.202 -5.526 -16.817 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.391 -5.878 -15.578 1.00 0.00 H new ATOM 704 N SER A 46 -3.138 -1.231 -14.976 1.00 0.00 N ATOM 705 CA SER A 46 -3.419 0.199 -15.042 1.00 0.00 C ATOM 706 C SER A 46 -2.369 0.999 -14.276 1.00 0.00 C ATOM 707 O SER A 46 -2.032 2.120 -14.658 1.00 0.00 O ATOM 708 CB SER A 46 -4.803 0.483 -14.463 1.00 0.00 C ATOM 709 OG SER A 46 -5.188 1.810 -14.797 1.00 0.00 O ATOM 0 H SER A 46 -3.843 -1.781 -14.485 1.00 0.00 H new ATOM 0 HA SER A 46 -3.390 0.504 -16.088 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.528 -0.229 -14.858 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.790 0.357 -13.380 1.00 0.00 H new ATOM 0 HG SER A 46 -6.164 1.886 -14.762 1.00 0.00 H new ATOM 715 N LEU A 47 -1.856 0.423 -13.193 1.00 0.00 N ATOM 716 CA LEU A 47 -0.849 1.105 -12.386 1.00 0.00 C ATOM 717 C LEU A 47 0.480 1.172 -13.134 1.00 0.00 C ATOM 718 O LEU A 47 1.235 2.134 -12.992 1.00 0.00 O ATOM 719 CB LEU A 47 -0.657 0.371 -11.049 1.00 0.00 C ATOM 720 CG LEU A 47 -1.781 0.743 -10.072 1.00 0.00 C ATOM 721 CD1 LEU A 47 -3.113 0.185 -10.576 1.00 0.00 C ATOM 722 CD2 LEU A 47 -1.470 0.146 -8.697 1.00 0.00 C ATOM 0 H LEU A 47 -2.117 -0.504 -12.856 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.194 2.121 -12.191 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.652 -0.706 -11.215 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.310 0.632 -10.618 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.851 1.828 -9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.907 0.452 -9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.335 0.605 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.047 -0.900 -10.652 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.265 0.407 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.400 -0.939 -8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.523 0.544 -8.333 1.00 0.00 H new ATOM 734 N GLN A 48 0.761 0.147 -13.931 1.00 0.00 N ATOM 735 CA GLN A 48 2.003 0.106 -14.694 1.00 0.00 C ATOM 736 C GLN A 48 1.951 1.099 -15.851 1.00 0.00 C ATOM 737 O GLN A 48 1.930 0.708 -17.017 1.00 0.00 O ATOM 738 CB GLN A 48 2.229 -1.308 -15.237 1.00 0.00 C ATOM 739 CG GLN A 48 2.282 -2.308 -14.074 1.00 0.00 C ATOM 740 CD GLN A 48 2.028 -3.724 -14.585 1.00 0.00 C ATOM 741 OE1 GLN A 48 1.623 -4.597 -13.818 1.00 0.00 O ATOM 742 NE2 GLN A 48 2.237 -4.003 -15.843 1.00 0.00 N ATOM 0 H GLN A 48 0.152 -0.660 -14.065 1.00 0.00 H new ATOM 0 HA GLN A 48 2.828 0.379 -14.035 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.426 -1.577 -15.924 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.159 -1.346 -15.804 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.256 -2.259 -13.586 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.536 -2.045 -13.324 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.573 -3.278 -16.477 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.065 -4.946 -16.192 1.00 0.00 H new ATOM 751 N GLY A 49 1.929 2.387 -15.516 1.00 0.00 N ATOM 752 CA GLY A 49 1.879 3.436 -16.531 1.00 0.00 C ATOM 753 C GLY A 49 2.539 4.713 -16.020 1.00 0.00 C ATOM 754 O GLY A 49 2.369 5.786 -16.600 1.00 0.00 O ATOM 0 H GLY A 49 1.945 2.728 -14.555 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.383 3.097 -17.436 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.843 3.639 -16.800 1.00 0.00 H new ATOM 758 N VAL A 50 3.297 4.586 -14.931 1.00 0.00 N ATOM 759 CA VAL A 50 3.993 5.730 -14.333 1.00 0.00 C ATOM 760 C VAL A 50 5.478 5.391 -14.159 1.00 0.00 C ATOM 761 O VAL A 50 5.900 4.274 -14.455 1.00 0.00 O ATOM 762 CB VAL A 50 3.320 6.089 -12.975 1.00 0.00 C ATOM 763 CG1 VAL A 50 4.013 5.390 -11.789 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.352 7.608 -12.751 1.00 0.00 C ATOM 0 H VAL A 50 3.446 3.703 -14.443 1.00 0.00 H new ATOM 0 HA VAL A 50 3.923 6.600 -14.985 1.00 0.00 H new ATOM 0 HB VAL A 50 2.288 5.740 -13.025 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.513 5.667 -10.861 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.959 4.309 -11.922 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.057 5.699 -11.745 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.878 7.845 -11.798 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.386 7.952 -12.738 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.814 8.106 -13.558 1.00 0.00 H new ATOM 774 N SER A 51 6.263 6.351 -13.675 1.00 0.00 N ATOM 775 CA SER A 51 7.697 6.141 -13.451 1.00 0.00 C ATOM 776 C SER A 51 7.989 6.339 -11.974 1.00 0.00 C ATOM 777 O SER A 51 7.166 6.906 -11.268 1.00 0.00 O ATOM 778 CB SER A 51 8.511 7.136 -14.279 1.00 0.00 C ATOM 779 OG SER A 51 7.986 7.186 -15.599 1.00 0.00 O ATOM 0 H SER A 51 5.932 7.284 -13.429 1.00 0.00 H new ATOM 0 HA SER A 51 7.974 5.131 -13.755 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.473 8.125 -13.822 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.559 6.836 -14.303 1.00 0.00 H new ATOM 0 HG SER A 51 8.504 7.824 -16.133 1.00 0.00 H new ATOM 785 N VAL A 52 9.151 5.882 -11.508 1.00 0.00 N ATOM 786 CA VAL A 52 9.503 6.030 -10.094 1.00 0.00 C ATOM 787 C VAL A 52 9.471 7.508 -9.677 1.00 0.00 C ATOM 788 O VAL A 52 8.944 7.851 -8.618 1.00 0.00 O ATOM 789 CB VAL A 52 10.897 5.413 -9.824 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.548 6.063 -8.593 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.756 3.905 -9.575 1.00 0.00 C ATOM 0 H VAL A 52 9.855 5.413 -12.077 1.00 0.00 H new ATOM 0 HA VAL A 52 8.765 5.496 -9.495 1.00 0.00 H new ATOM 0 HB VAL A 52 11.526 5.591 -10.696 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.527 5.616 -8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.663 7.133 -8.765 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.916 5.902 -7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.739 3.474 -9.385 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.113 3.737 -8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.315 3.431 -10.452 1.00 0.00 H new ATOM 801 N THR A 53 10.055 8.370 -10.502 1.00 0.00 N ATOM 802 CA THR A 53 10.107 9.801 -10.196 1.00 0.00 C ATOM 803 C THR A 53 8.715 10.370 -9.919 1.00 0.00 C ATOM 804 O THR A 53 8.584 11.379 -9.244 1.00 0.00 O ATOM 805 CB THR A 53 10.751 10.554 -11.374 1.00 0.00 C ATOM 806 OG1 THR A 53 12.161 10.405 -11.310 1.00 0.00 O ATOM 807 CG2 THR A 53 10.394 12.048 -11.312 1.00 0.00 C ATOM 0 H THR A 53 10.497 8.109 -11.383 1.00 0.00 H new ATOM 0 HA THR A 53 10.706 9.933 -9.295 1.00 0.00 H new ATOM 0 HB THR A 53 10.374 10.139 -12.309 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.575 10.882 -12.060 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.856 12.568 -12.151 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.312 12.166 -11.364 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.761 12.471 -10.377 1.00 0.00 H new ATOM 815 N ASP A 54 7.690 9.743 -10.456 1.00 0.00 N ATOM 816 CA ASP A 54 6.331 10.231 -10.263 1.00 0.00 C ATOM 817 C ASP A 54 5.827 9.926 -8.854 1.00 0.00 C ATOM 818 O ASP A 54 4.999 10.653 -8.308 1.00 0.00 O ATOM 819 CB ASP A 54 5.408 9.580 -11.283 1.00 0.00 C ATOM 820 CG ASP A 54 4.070 10.310 -11.315 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.760 10.977 -10.343 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.378 10.195 -12.313 1.00 0.00 O ATOM 0 H ASP A 54 7.765 8.901 -11.026 1.00 0.00 H new ATOM 0 HA ASP A 54 6.335 11.313 -10.398 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.869 9.604 -12.271 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.254 8.531 -11.029 1.00 0.00 H new ATOM 827 N LEU A 55 6.302 8.826 -8.291 1.00 0.00 N ATOM 828 CA LEU A 55 5.868 8.399 -6.958 1.00 0.00 C ATOM 829 C LEU A 55 6.306 9.375 -5.862 1.00 0.00 C ATOM 830 O LEU A 55 5.467 9.956 -5.181 1.00 0.00 O ATOM 831 CB LEU A 55 6.429 7.007 -6.633 1.00 0.00 C ATOM 832 CG LEU A 55 5.748 5.937 -7.507 1.00 0.00 C ATOM 833 CD1 LEU A 55 6.007 6.231 -8.985 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.324 4.560 -7.149 1.00 0.00 C ATOM 0 H LEU A 55 6.986 8.210 -8.730 1.00 0.00 H new ATOM 0 HA LEU A 55 4.778 8.374 -6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.506 6.993 -6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.269 6.780 -5.579 1.00 0.00 H new ATOM 0 HG LEU A 55 4.673 5.948 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.523 5.471 -9.598 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.603 7.211 -9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.080 6.221 -9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.848 3.796 -7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.398 4.556 -7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.136 4.349 -6.096 1.00 0.00 H new ATOM 846 N LYS A 56 7.618 9.529 -5.671 1.00 0.00 N ATOM 847 CA LYS A 56 8.133 10.411 -4.616 1.00 0.00 C ATOM 848 C LYS A 56 7.582 11.831 -4.707 1.00 0.00 C ATOM 849 O LYS A 56 7.339 12.472 -3.685 1.00 0.00 O ATOM 850 CB LYS A 56 9.658 10.470 -4.680 1.00 0.00 C ATOM 851 CG LYS A 56 10.186 11.396 -3.577 1.00 0.00 C ATOM 852 CD LYS A 56 11.661 11.085 -3.294 1.00 0.00 C ATOM 853 CE LYS A 56 12.444 11.039 -4.608 1.00 0.00 C ATOM 854 NZ LYS A 56 13.905 11.133 -4.325 1.00 0.00 N ATOM 0 H LYS A 56 8.337 9.062 -6.224 1.00 0.00 H new ATOM 0 HA LYS A 56 7.802 9.985 -3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.076 9.470 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.977 10.833 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.077 12.437 -3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.597 11.266 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.082 11.845 -2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.748 10.130 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.226 10.113 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.135 11.860 -5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.435 11.102 -5.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.107 12.028 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.194 10.335 -3.723 1.00 0.00 H new ATOM 868 N ILE A 57 7.393 12.322 -5.919 1.00 0.00 N ATOM 869 CA ILE A 57 6.876 13.674 -6.104 1.00 0.00 C ATOM 870 C ILE A 57 5.376 13.696 -5.859 1.00 0.00 C ATOM 871 O ILE A 57 4.795 14.746 -5.608 1.00 0.00 O ATOM 872 CB ILE A 57 7.214 14.178 -7.512 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.398 13.403 -8.553 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.709 13.948 -7.755 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.802 13.821 -9.976 1.00 0.00 C ATOM 0 H ILE A 57 7.586 11.815 -6.783 1.00 0.00 H new ATOM 0 HA ILE A 57 7.348 14.341 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 57 6.974 15.238 -7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.556 12.332 -8.424 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.335 13.589 -8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.974 14.299 -8.752 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.287 14.497 -7.012 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.931 12.884 -7.674 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.212 13.260 -10.701 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.620 14.888 -10.107 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.861 13.612 -10.130 1.00 0.00 H new ATOM 887 N GLY A 58 4.756 12.522 -5.927 1.00 0.00 N ATOM 888 CA GLY A 58 3.319 12.413 -5.705 1.00 0.00 C ATOM 889 C GLY A 58 2.953 12.743 -4.260 1.00 0.00 C ATOM 890 O GLY A 58 1.894 13.314 -3.997 1.00 0.00 O ATOM 0 H GLY A 58 5.223 11.639 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.793 13.089 -6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.988 11.403 -5.944 1.00 0.00 H new ATOM 894 N LEU A 59 3.828 12.379 -3.323 1.00 0.00 N ATOM 895 CA LEU A 59 3.563 12.646 -1.911 1.00 0.00 C ATOM 896 C LEU A 59 3.808 14.111 -1.587 1.00 0.00 C ATOM 897 O LEU A 59 2.909 14.800 -1.102 1.00 0.00 O ATOM 898 CB LEU A 59 4.450 11.775 -1.007 1.00 0.00 C ATOM 899 CG LEU A 59 4.210 10.272 -1.262 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.713 9.942 -1.158 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.735 9.869 -2.654 1.00 0.00 C ATOM 0 H LEU A 59 4.712 11.906 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 59 2.517 12.402 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.499 12.013 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.244 12.006 0.038 1.00 0.00 H new ATOM 0 HG LEU A 59 4.752 9.708 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.561 8.878 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.353 10.194 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.161 10.520 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.557 8.806 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.215 10.445 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.805 10.071 -2.712 1.00 0.00 H new ATOM 913 N ALA A 60 5.016 14.595 -1.854 1.00 0.00 N ATOM 914 CA ALA A 60 5.330 15.989 -1.579 1.00 0.00 C ATOM 915 C ALA A 60 4.616 16.888 -2.576 1.00 0.00 C ATOM 916 O ALA A 60 4.217 18.004 -2.242 1.00 0.00 O ATOM 917 CB ALA A 60 6.839 16.218 -1.672 1.00 0.00 C ATOM 0 H ALA A 60 5.781 14.052 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 60 4.994 16.231 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.062 17.265 -1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.348 15.587 -0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.184 15.966 -2.675 1.00 0.00 H new ATOM 923 N GLY A 61 4.449 16.395 -3.803 1.00 0.00 N ATOM 924 CA GLY A 61 3.768 17.175 -4.834 1.00 0.00 C ATOM 925 C GLY A 61 4.737 18.114 -5.545 1.00 0.00 C ATOM 926 O GLY A 61 4.380 18.735 -6.546 1.00 0.00 O ATOM 0 H GLY A 61 4.770 15.475 -4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.311 16.503 -5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.962 17.753 -4.383 1.00 0.00 H new ATOM 930 N SER A 62 5.961 18.229 -5.023 1.00 0.00 N ATOM 931 CA SER A 62 6.959 19.119 -5.628 1.00 0.00 C ATOM 932 C SER A 62 8.342 18.484 -5.679 1.00 0.00 C ATOM 933 O SER A 62 9.022 18.359 -4.661 1.00 0.00 O ATOM 934 CB SER A 62 7.029 20.427 -4.840 1.00 0.00 C ATOM 935 OG SER A 62 5.712 20.850 -4.511 1.00 0.00 O ATOM 0 H SER A 62 6.283 17.726 -4.196 1.00 0.00 H new ATOM 0 HA SER A 62 6.645 19.311 -6.654 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.615 20.287 -3.932 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.533 21.193 -5.429 1.00 0.00 H new ATOM 0 HG SER A 62 5.754 21.688 -4.004 1.00 0.00 H new ATOM 941 N GLU A 63 8.756 18.109 -6.885 1.00 0.00 N ATOM 942 CA GLU A 63 10.066 17.514 -7.089 1.00 0.00 C ATOM 943 C GLU A 63 11.150 18.447 -6.564 1.00 0.00 C ATOM 944 O GLU A 63 12.330 18.100 -6.541 1.00 0.00 O ATOM 945 CB GLU A 63 10.284 17.239 -8.583 1.00 0.00 C ATOM 946 CG GLU A 63 11.699 16.699 -8.819 1.00 0.00 C ATOM 947 CD GLU A 63 11.781 16.019 -10.183 1.00 0.00 C ATOM 948 OE1 GLU A 63 10.924 15.199 -10.470 1.00 0.00 O ATOM 949 OE2 GLU A 63 12.701 16.329 -10.922 1.00 0.00 O ATOM 0 H GLU A 63 8.201 18.208 -7.735 1.00 0.00 H new ATOM 0 HA GLU A 63 10.120 16.572 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.548 16.519 -8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.136 18.155 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.421 17.514 -8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.961 15.990 -8.034 1.00 0.00 H new ATOM 956 N GLU A 64 10.735 19.628 -6.123 1.00 0.00 N ATOM 957 CA GLU A 64 11.669 20.604 -5.582 1.00 0.00 C ATOM 958 C GLU A 64 11.905 20.360 -4.094 1.00 0.00 C ATOM 959 O GLU A 64 13.037 20.450 -3.619 1.00 0.00 O ATOM 960 CB GLU A 64 11.115 22.017 -5.783 1.00 0.00 C ATOM 961 CG GLU A 64 10.923 22.284 -7.277 1.00 0.00 C ATOM 962 CD GLU A 64 12.271 22.539 -7.940 1.00 0.00 C ATOM 963 OE1 GLU A 64 12.785 23.635 -7.790 1.00 0.00 O ATOM 964 OE2 GLU A 64 12.772 21.635 -8.589 1.00 0.00 O ATOM 0 H GLU A 64 9.761 19.931 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 64 12.617 20.501 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.165 22.124 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.799 22.751 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.433 21.431 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.270 23.145 -7.420 1.00 0.00 H new ATOM 971 N ASP A 65 10.829 20.089 -3.348 1.00 0.00 N ATOM 972 CA ASP A 65 10.937 19.879 -1.902 1.00 0.00 C ATOM 973 C ASP A 65 11.119 18.409 -1.520 1.00 0.00 C ATOM 974 O ASP A 65 11.436 18.111 -0.370 1.00 0.00 O ATOM 975 CB ASP A 65 9.677 20.417 -1.220 1.00 0.00 C ATOM 976 CG ASP A 65 9.662 21.941 -1.277 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.391 22.491 -2.087 1.00 0.00 O ATOM 978 OD2 ASP A 65 8.921 22.536 -0.513 1.00 0.00 O ATOM 0 H ASP A 65 9.882 20.011 -3.718 1.00 0.00 H new ATOM 0 HA ASP A 65 11.827 20.412 -1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.789 20.018 -1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.645 20.084 -0.183 1.00 0.00 H new ATOM 983 N VAL A 66 10.920 17.489 -2.457 1.00 0.00 N ATOM 984 CA VAL A 66 11.077 16.074 -2.127 1.00 0.00 C ATOM 985 C VAL A 66 12.418 15.837 -1.439 1.00 0.00 C ATOM 986 O VAL A 66 12.569 14.898 -0.658 1.00 0.00 O ATOM 987 CB VAL A 66 10.981 15.193 -3.377 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.531 15.106 -3.836 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.809 15.779 -4.515 1.00 0.00 C ATOM 0 H VAL A 66 10.658 17.686 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 66 10.266 15.802 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 66 11.361 14.203 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.468 14.479 -4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.923 14.672 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.163 16.105 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.727 15.138 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.440 16.775 -4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.853 15.843 -4.209 1.00 0.00 H new ATOM 999 N ASP A 67 13.384 16.699 -1.730 1.00 0.00 N ATOM 1000 CA ASP A 67 14.706 16.578 -1.128 1.00 0.00 C ATOM 1001 C ASP A 67 14.600 16.585 0.393 1.00 0.00 C ATOM 1002 O ASP A 67 15.533 16.192 1.093 1.00 0.00 O ATOM 1003 CB ASP A 67 15.594 17.736 -1.584 1.00 0.00 C ATOM 1004 CG ASP A 67 15.865 17.633 -3.082 1.00 0.00 C ATOM 1005 OD1 ASP A 67 15.784 16.534 -3.604 1.00 0.00 O ATOM 1006 OD2 ASP A 67 16.149 18.655 -3.683 1.00 0.00 O ATOM 0 H ASP A 67 13.279 17.483 -2.374 1.00 0.00 H new ATOM 0 HA ASP A 67 15.148 15.634 -1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.109 18.686 -1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.535 17.720 -1.035 1.00 0.00 H new ATOM 1011 N MET A 68 13.454 17.041 0.900 1.00 0.00 N ATOM 1012 CA MET A 68 13.222 17.106 2.344 1.00 0.00 C ATOM 1013 C MET A 68 12.341 15.946 2.797 1.00 0.00 C ATOM 1014 O MET A 68 12.481 15.448 3.914 1.00 0.00 O ATOM 1015 CB MET A 68 12.541 18.430 2.701 1.00 0.00 C ATOM 1016 CG MET A 68 13.511 19.587 2.459 1.00 0.00 C ATOM 1017 SD MET A 68 12.734 21.140 2.972 1.00 0.00 S ATOM 1018 CE MET A 68 14.244 22.134 3.057 1.00 0.00 C ATOM 0 H MET A 68 12.673 17.371 0.333 1.00 0.00 H new ATOM 0 HA MET A 68 14.184 17.039 2.852 1.00 0.00 H new ATOM 0 HB2 MET A 68 11.643 18.563 2.098 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.226 18.419 3.744 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.433 19.426 3.018 1.00 0.00 H new ATOM 0 HG3 MET A 68 13.782 19.634 1.404 1.00 0.00 H new ATOM 0 HE1 MET A 68 13.994 23.150 3.361 1.00 0.00 H new ATOM 0 HE2 MET A 68 14.928 21.695 3.784 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.721 22.156 2.077 1.00 0.00 H new ATOM 1028 N LEU A 69 11.432 15.521 1.925 1.00 0.00 N ATOM 1029 CA LEU A 69 10.536 14.419 2.252 1.00 0.00 C ATOM 1030 C LEU A 69 11.332 13.236 2.799 1.00 0.00 C ATOM 1031 O LEU A 69 12.347 12.842 2.228 1.00 0.00 O ATOM 1032 CB LEU A 69 9.756 13.995 1.004 1.00 0.00 C ATOM 1033 CG LEU A 69 8.624 13.026 1.385 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.546 13.749 2.219 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.995 12.465 0.103 1.00 0.00 C ATOM 0 H LEU A 69 11.297 15.919 0.995 1.00 0.00 H new ATOM 0 HA LEU A 69 9.833 14.750 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.341 14.874 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.428 13.517 0.292 1.00 0.00 H new ATOM 0 HG LEU A 69 9.036 12.215 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.754 13.046 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.995 14.143 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.126 14.570 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.191 11.777 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.593 13.284 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.754 11.935 -0.473 1.00 0.00 H new ATOM 1047 N ASP A 70 10.869 12.687 3.917 1.00 0.00 N ATOM 1048 CA ASP A 70 11.548 11.558 4.549 1.00 0.00 C ATOM 1049 C ASP A 70 11.683 10.381 3.588 1.00 0.00 C ATOM 1050 O ASP A 70 12.660 9.639 3.646 1.00 0.00 O ATOM 1051 CB ASP A 70 10.776 11.114 5.793 1.00 0.00 C ATOM 1052 CG ASP A 70 9.295 10.960 5.462 1.00 0.00 C ATOM 1053 OD1 ASP A 70 8.774 11.807 4.756 1.00 0.00 O ATOM 1054 OD2 ASP A 70 8.703 9.996 5.920 1.00 0.00 O ATOM 0 H ASP A 70 10.030 13.003 4.404 1.00 0.00 H new ATOM 0 HA ASP A 70 12.548 11.886 4.832 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.175 10.168 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.904 11.845 6.591 1.00 0.00 H new ATOM 1059 N THR A 71 10.705 10.226 2.699 1.00 0.00 N ATOM 1060 CA THR A 71 10.728 9.137 1.722 1.00 0.00 C ATOM 1061 C THR A 71 12.108 9.034 1.066 1.00 0.00 C ATOM 1062 O THR A 71 12.443 9.864 0.221 1.00 0.00 O ATOM 1063 CB THR A 71 9.681 9.397 0.635 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.451 9.769 1.242 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.479 8.129 -0.199 1.00 0.00 C ATOM 0 H THR A 71 9.890 10.836 2.634 1.00 0.00 H new ATOM 0 HA THR A 71 10.506 8.204 2.240 1.00 0.00 H new ATOM 0 HB THR A 71 10.025 10.203 -0.013 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.717 9.629 0.607 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.734 8.317 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.423 7.847 -0.666 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.137 7.320 0.446 1.00 0.00 H new ATOM 1073 N PRO A 72 12.923 8.053 1.407 1.00 0.00 N ATOM 1074 CA PRO A 72 14.273 7.918 0.784 1.00 0.00 C ATOM 1075 C PRO A 72 14.176 7.865 -0.740 1.00 0.00 C ATOM 1076 O PRO A 72 13.142 8.201 -1.317 1.00 0.00 O ATOM 1077 CB PRO A 72 14.824 6.595 1.353 1.00 0.00 C ATOM 1078 CG PRO A 72 14.049 6.351 2.610 1.00 0.00 C ATOM 1079 CD PRO A 72 12.673 6.982 2.396 1.00 0.00 C ATOM 0 HA PRO A 72 14.919 8.767 1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.692 5.777 0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.892 6.670 1.558 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.960 5.283 2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.551 6.796 3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.953 6.254 2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.268 7.383 3.325 1.00 0.00 H new ATOM 1087 N MET A 73 15.251 7.416 -1.380 1.00 0.00 N ATOM 1088 CA MET A 73 15.283 7.286 -2.837 1.00 0.00 C ATOM 1089 C MET A 73 15.234 5.812 -3.199 1.00 0.00 C ATOM 1090 O MET A 73 15.162 5.448 -4.369 1.00 0.00 O ATOM 1091 CB MET A 73 16.564 7.918 -3.405 1.00 0.00 C ATOM 1092 CG MET A 73 16.368 8.253 -4.888 1.00 0.00 C ATOM 1093 SD MET A 73 17.968 8.658 -5.632 1.00 0.00 S ATOM 1094 CE MET A 73 18.058 10.373 -5.061 1.00 0.00 C ATOM 0 H MET A 73 16.114 7.135 -0.914 1.00 0.00 H new ATOM 0 HA MET A 73 14.425 7.804 -3.264 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.811 8.822 -2.849 1.00 0.00 H new ATOM 0 HB3 MET A 73 17.402 7.231 -3.286 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.918 7.407 -5.407 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.682 9.094 -4.994 1.00 0.00 H new ATOM 0 HE1 MET A 73 17.975 11.046 -5.915 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.242 10.568 -4.365 1.00 0.00 H new ATOM 0 HE3 MET A 73 19.011 10.540 -4.559 1.00 0.00 H new ATOM 1104 N SER A 74 15.279 4.967 -2.168 1.00 0.00 N ATOM 1105 CA SER A 74 15.244 3.518 -2.350 1.00 0.00 C ATOM 1106 C SER A 74 13.854 2.974 -2.029 1.00 0.00 C ATOM 1107 O SER A 74 13.453 1.935 -2.554 1.00 0.00 O ATOM 1108 CB SER A 74 16.272 2.858 -1.430 1.00 0.00 C ATOM 1109 OG SER A 74 15.846 2.988 -0.081 1.00 0.00 O ATOM 0 H SER A 74 15.340 5.265 -1.194 1.00 0.00 H new ATOM 0 HA SER A 74 15.482 3.292 -3.389 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.385 1.805 -1.688 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.248 3.325 -1.562 1.00 0.00 H new ATOM 0 HG SER A 74 16.502 2.564 0.511 1.00 0.00 H new ATOM 1115 N ALA A 75 13.123 3.679 -1.167 1.00 0.00 N ATOM 1116 CA ALA A 75 11.784 3.249 -0.793 1.00 0.00 C ATOM 1117 C ALA A 75 10.898 3.155 -2.029 1.00 0.00 C ATOM 1118 O ALA A 75 10.016 2.302 -2.110 1.00 0.00 O ATOM 1119 CB ALA A 75 11.181 4.234 0.211 1.00 0.00 C ATOM 0 H ALA A 75 13.434 4.541 -0.720 1.00 0.00 H new ATOM 0 HA ALA A 75 11.846 2.264 -0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.179 3.905 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.807 4.274 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.127 5.225 -0.239 1.00 0.00 H new ATOM 1125 N LEU A 76 11.139 4.033 -2.994 1.00 0.00 N ATOM 1126 CA LEU A 76 10.353 4.013 -4.216 1.00 0.00 C ATOM 1127 C LEU A 76 10.637 2.728 -4.980 1.00 0.00 C ATOM 1128 O LEU A 76 9.722 1.982 -5.327 1.00 0.00 O ATOM 1129 CB LEU A 76 10.680 5.205 -5.120 1.00 0.00 C ATOM 1130 CG LEU A 76 10.639 6.546 -4.356 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.449 6.579 -3.393 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.946 6.797 -3.573 1.00 0.00 C ATOM 0 H LEU A 76 11.859 4.754 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 76 9.301 4.071 -3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.670 5.067 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.970 5.238 -5.946 1.00 0.00 H new ATOM 0 HG LEU A 76 10.528 7.337 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.436 7.531 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.522 6.464 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.540 5.765 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.879 7.750 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.097 5.995 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.786 6.823 -4.267 1.00 0.00 H new ATOM 1144 N LYS A 77 11.918 2.472 -5.229 1.00 0.00 N ATOM 1145 CA LYS A 77 12.314 1.266 -5.943 1.00 0.00 C ATOM 1146 C LYS A 77 11.682 0.058 -5.266 1.00 0.00 C ATOM 1147 O LYS A 77 11.297 -0.911 -5.921 1.00 0.00 O ATOM 1148 CB LYS A 77 13.839 1.107 -5.944 1.00 0.00 C ATOM 1149 CG LYS A 77 14.471 2.124 -6.907 1.00 0.00 C ATOM 1150 CD LYS A 77 14.229 3.556 -6.396 1.00 0.00 C ATOM 1151 CE LYS A 77 15.324 4.499 -6.919 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.743 4.069 -8.283 1.00 0.00 N ATOM 0 H LYS A 77 12.691 3.077 -4.950 1.00 0.00 H new ATOM 0 HA LYS A 77 11.974 1.343 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.229 1.255 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.107 0.094 -6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.541 1.937 -6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.044 2.008 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.250 3.906 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.222 3.565 -5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.953 5.523 -6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.180 4.489 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.225 4.856 -8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.392 3.260 -8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.905 3.791 -8.832 1.00 0.00 H new ATOM 1166 N ASP A 78 11.581 0.133 -3.943 1.00 0.00 N ATOM 1167 CA ASP A 78 10.999 -0.944 -3.164 1.00 0.00 C ATOM 1168 C ASP A 78 9.501 -1.046 -3.452 1.00 0.00 C ATOM 1169 O ASP A 78 9.014 -2.093 -3.879 1.00 0.00 O ATOM 1170 CB ASP A 78 11.242 -0.683 -1.667 1.00 0.00 C ATOM 1171 CG ASP A 78 12.652 -1.120 -1.278 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.050 -2.198 -1.683 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.313 -0.367 -0.580 1.00 0.00 O ATOM 0 H ASP A 78 11.896 0.931 -3.391 1.00 0.00 H new ATOM 0 HA ASP A 78 11.469 -1.888 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.109 0.377 -1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.508 -1.226 -1.072 1.00 0.00 H new ATOM 1178 N ALA A 79 8.777 0.041 -3.204 1.00 0.00 N ATOM 1179 CA ALA A 79 7.335 0.057 -3.429 1.00 0.00 C ATOM 1180 C ALA A 79 6.987 -0.130 -4.910 1.00 0.00 C ATOM 1181 O ALA A 79 6.284 -1.075 -5.262 1.00 0.00 O ATOM 1182 CB ALA A 79 6.748 1.378 -2.924 1.00 0.00 C ATOM 0 H ALA A 79 9.161 0.917 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 79 6.903 -0.778 -2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.671 1.386 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.948 1.481 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.206 2.209 -3.461 1.00 0.00 H new ATOM 1188 N VAL A 80 7.456 0.791 -5.764 1.00 0.00 N ATOM 1189 CA VAL A 80 7.168 0.735 -7.205 1.00 0.00 C ATOM 1190 C VAL A 80 7.111 -0.705 -7.714 1.00 0.00 C ATOM 1191 O VAL A 80 6.462 -0.999 -8.715 1.00 0.00 O ATOM 1192 CB VAL A 80 8.211 1.532 -7.993 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.471 0.693 -8.215 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.632 1.929 -9.357 1.00 0.00 C ATOM 0 H VAL A 80 8.035 1.582 -5.483 1.00 0.00 H new ATOM 0 HA VAL A 80 6.187 1.183 -7.359 1.00 0.00 H new ATOM 0 HB VAL A 80 8.470 2.423 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.202 1.275 -8.777 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.895 0.411 -7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.215 -0.206 -8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.376 2.496 -9.917 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.366 1.031 -9.914 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.743 2.542 -9.210 1.00 0.00 H new ATOM 1204 N ARG A 81 7.796 -1.591 -7.012 1.00 0.00 N ATOM 1205 CA ARG A 81 7.821 -2.997 -7.391 1.00 0.00 C ATOM 1206 C ARG A 81 6.539 -3.673 -6.937 1.00 0.00 C ATOM 1207 O ARG A 81 5.818 -4.284 -7.727 1.00 0.00 O ATOM 1208 CB ARG A 81 9.014 -3.699 -6.735 1.00 0.00 C ATOM 1209 CG ARG A 81 9.219 -5.080 -7.376 1.00 0.00 C ATOM 1210 CD ARG A 81 10.031 -5.976 -6.436 1.00 0.00 C ATOM 1211 NE ARG A 81 11.374 -5.438 -6.252 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.167 -5.886 -5.283 1.00 0.00 C ATOM 1213 NH1 ARG A 81 11.745 -6.815 -4.471 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.367 -5.394 -5.143 1.00 0.00 N ATOM 0 H ARG A 81 8.341 -1.365 -6.180 1.00 0.00 H new ATOM 0 HA ARG A 81 7.912 -3.065 -8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.914 -3.095 -6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.841 -3.806 -5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.253 -5.540 -7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.737 -4.975 -8.329 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.528 -6.052 -5.472 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.090 -6.984 -6.846 1.00 0.00 H new ATOM 0 HE ARG A 81 11.711 -4.706 -6.877 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.806 -7.199 -4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.354 -7.158 -3.728 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.697 -4.666 -5.777 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.975 -5.737 -4.400 1.00 0.00 H new ATOM 1228 N ILE A 82 6.285 -3.572 -5.645 1.00 0.00 N ATOM 1229 CA ILE A 82 5.114 -4.184 -5.049 1.00 0.00 C ATOM 1230 C ILE A 82 3.837 -3.877 -5.848 1.00 0.00 C ATOM 1231 O ILE A 82 3.026 -4.777 -6.067 1.00 0.00 O ATOM 1232 CB ILE A 82 4.982 -3.722 -3.586 1.00 0.00 C ATOM 1233 CG1 ILE A 82 5.988 -4.499 -2.722 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.566 -3.994 -3.076 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.045 -3.893 -1.320 1.00 0.00 C ATOM 0 H ILE A 82 6.879 -3.068 -4.986 1.00 0.00 H new ATOM 0 HA ILE A 82 5.241 -5.266 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 82 5.184 -2.652 -3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.697 -5.548 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.976 -4.468 -3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.483 -3.664 -2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.848 -3.450 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.357 -5.062 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.760 -4.448 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.358 -2.851 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.058 -3.947 -0.860 1.00 0.00 H new ATOM 1247 N LEU A 83 3.641 -2.628 -6.284 1.00 0.00 N ATOM 1248 CA LEU A 83 2.426 -2.318 -7.045 1.00 0.00 C ATOM 1249 C LEU A 83 2.544 -2.887 -8.451 1.00 0.00 C ATOM 1250 O LEU A 83 1.565 -3.379 -9.013 1.00 0.00 O ATOM 1251 CB LEU A 83 2.112 -0.796 -7.137 1.00 0.00 C ATOM 1252 CG LEU A 83 2.702 0.019 -5.962 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.676 -0.752 -4.632 1.00 0.00 C ATOM 1254 CD2 LEU A 83 4.114 0.451 -6.302 1.00 0.00 C ATOM 0 H LEU A 83 4.277 -1.845 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 83 1.601 -2.778 -6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.506 -0.406 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.031 -0.655 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 83 2.072 0.897 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.102 -0.132 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.647 -1.005 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.261 -1.667 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.528 1.025 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.732 -0.430 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.099 1.069 -7.200 1.00 0.00 H new ATOM 1266 N TRP A 84 3.744 -2.824 -9.021 1.00 0.00 N ATOM 1267 CA TRP A 84 3.949 -3.350 -10.372 1.00 0.00 C ATOM 1268 C TRP A 84 3.299 -4.732 -10.499 1.00 0.00 C ATOM 1269 O TRP A 84 3.047 -5.211 -11.604 1.00 0.00 O ATOM 1270 CB TRP A 84 5.468 -3.443 -10.674 1.00 0.00 C ATOM 1271 CG TRP A 84 5.862 -2.495 -11.762 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.506 -2.844 -12.898 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.661 -1.056 -11.830 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.715 -1.709 -13.657 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.213 -0.583 -13.041 1.00 0.00 C ATOM 1276 CE3 TRP A 84 5.059 -0.125 -10.965 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 6.173 0.767 -13.383 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 5.016 1.234 -11.307 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.573 1.678 -12.512 1.00 0.00 C ATOM 0 H TRP A 84 4.574 -2.424 -8.583 1.00 0.00 H new ATOM 0 HA TRP A 84 3.485 -2.677 -11.093 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.035 -3.220 -9.770 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.722 -4.462 -10.966 1.00 0.00 H new ATOM 0 HD1 TRP A 84 6.807 -3.845 -13.168 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.184 -1.705 -14.563 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.628 -0.458 -10.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.603 1.106 -14.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.551 1.942 -10.637 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.538 2.727 -12.768 1.00 0.00 H new ATOM 1290 N GLY A 85 3.042 -5.364 -9.358 1.00 0.00 N ATOM 1291 CA GLY A 85 2.437 -6.690 -9.350 1.00 0.00 C ATOM 1292 C GLY A 85 3.504 -7.762 -9.538 1.00 0.00 C ATOM 1293 O GLY A 85 3.196 -8.924 -9.801 1.00 0.00 O ATOM 0 H GLY A 85 3.242 -4.982 -8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.912 -6.852 -8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.695 -6.763 -10.145 1.00 0.00 H new ATOM 1297 N GLU A 86 4.767 -7.355 -9.397 1.00 0.00 N ATOM 1298 CA GLU A 86 5.896 -8.276 -9.546 1.00 0.00 C ATOM 1299 C GLU A 86 6.451 -8.647 -8.176 1.00 0.00 C ATOM 1300 O GLU A 86 7.371 -9.457 -8.070 1.00 0.00 O ATOM 1301 CB GLU A 86 6.996 -7.620 -10.383 1.00 0.00 C ATOM 1302 CG GLU A 86 6.458 -7.306 -11.781 1.00 0.00 C ATOM 1303 CD GLU A 86 7.442 -6.415 -12.530 1.00 0.00 C ATOM 1304 OE1 GLU A 86 8.264 -5.795 -11.876 1.00 0.00 O ATOM 1305 OE2 GLU A 86 7.359 -6.365 -13.746 1.00 0.00 O ATOM 0 H GLU A 86 5.034 -6.395 -9.180 1.00 0.00 H new ATOM 0 HA GLU A 86 5.550 -9.179 -10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.338 -6.705 -9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.858 -8.284 -10.454 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.298 -8.231 -12.335 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.491 -6.810 -11.704 1.00 0.00 H new ATOM 1312 N ALA A 87 5.878 -8.039 -7.135 1.00 0.00 N ATOM 1313 CA ALA A 87 6.297 -8.290 -5.754 1.00 0.00 C ATOM 1314 C ALA A 87 6.788 -9.731 -5.568 1.00 0.00 C ATOM 1315 O ALA A 87 7.674 -9.998 -4.755 1.00 0.00 O ATOM 1316 CB ALA A 87 5.109 -8.013 -4.812 1.00 0.00 C ATOM 0 H ALA A 87 5.118 -7.365 -7.223 1.00 0.00 H new ATOM 0 HA ALA A 87 7.128 -7.626 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.411 -8.197 -3.781 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.795 -6.975 -4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.279 -8.671 -5.070 1.00 0.00 H new ATOM 1322 N GLU A 88 6.193 -10.649 -6.321 1.00 0.00 N ATOM 1323 CA GLU A 88 6.556 -12.061 -6.236 1.00 0.00 C ATOM 1324 C GLU A 88 8.070 -12.241 -6.143 1.00 0.00 C ATOM 1325 O GLU A 88 8.564 -12.935 -5.255 1.00 0.00 O ATOM 1326 CB GLU A 88 6.029 -12.807 -7.464 1.00 0.00 C ATOM 1327 CG GLU A 88 4.499 -12.818 -7.436 1.00 0.00 C ATOM 1328 CD GLU A 88 4.004 -13.799 -6.379 1.00 0.00 C ATOM 1329 OE1 GLU A 88 3.943 -14.980 -6.677 1.00 0.00 O ATOM 1330 OE2 GLU A 88 3.695 -13.354 -5.286 1.00 0.00 O ATOM 0 H GLU A 88 5.458 -10.442 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 88 6.106 -12.470 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.383 -12.325 -8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.411 -13.828 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.124 -11.818 -7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.111 -13.099 -8.415 1.00 0.00 H new ATOM 1337 N VAL A 89 8.801 -11.623 -7.064 1.00 0.00 N ATOM 1338 CA VAL A 89 10.255 -11.739 -7.067 1.00 0.00 C ATOM 1339 C VAL A 89 10.829 -11.339 -5.711 1.00 0.00 C ATOM 1340 O VAL A 89 10.490 -10.287 -5.168 1.00 0.00 O ATOM 1341 CB VAL A 89 10.854 -10.854 -8.163 1.00 0.00 C ATOM 1342 CG1 VAL A 89 10.154 -11.145 -9.491 1.00 0.00 C ATOM 1343 CG2 VAL A 89 10.659 -9.380 -7.796 1.00 0.00 C ATOM 0 H VAL A 89 8.417 -11.043 -7.810 1.00 0.00 H new ATOM 0 HA VAL A 89 10.514 -12.779 -7.265 1.00 0.00 H new ATOM 0 HB VAL A 89 11.919 -11.066 -8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.580 -10.515 -10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.294 -12.194 -9.754 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.089 -10.934 -9.395 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.086 -8.751 -8.577 1.00 0.00 H new ATOM 0 HG22 VAL A 89 9.594 -9.167 -7.700 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.158 -9.172 -6.849 1.00 0.00 H new ATOM 1353 N ASP A 90 11.698 -12.186 -5.169 1.00 0.00 N ATOM 1354 CA ASP A 90 12.312 -11.915 -3.874 1.00 0.00 C ATOM 1355 C ASP A 90 13.498 -10.966 -4.032 1.00 0.00 C ATOM 1356 O ASP A 90 13.322 -9.779 -4.306 1.00 0.00 O ATOM 1357 CB ASP A 90 12.779 -13.225 -3.234 1.00 0.00 C ATOM 1358 CG ASP A 90 13.546 -14.057 -4.257 1.00 0.00 C ATOM 1359 OD1 ASP A 90 12.904 -14.673 -5.091 1.00 0.00 O ATOM 1360 OD2 ASP A 90 14.765 -14.066 -4.191 1.00 0.00 O ATOM 0 H ASP A 90 11.992 -13.061 -5.603 1.00 0.00 H new ATOM 0 HA ASP A 90 11.570 -11.443 -3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.414 -13.014 -2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.920 -13.786 -2.866 1.00 0.00 H new ATOM 1365 N SER A 91 14.706 -11.497 -3.859 1.00 0.00 N ATOM 1366 CA SER A 91 15.912 -10.686 -3.985 1.00 0.00 C ATOM 1367 C SER A 91 16.226 -10.423 -5.453 1.00 0.00 C ATOM 1368 O SER A 91 15.590 -10.982 -6.346 1.00 0.00 O ATOM 1369 CB SER A 91 17.094 -11.401 -3.331 1.00 0.00 C ATOM 1370 OG SER A 91 17.362 -12.604 -4.037 1.00 0.00 O ATOM 0 H SER A 91 14.874 -12.477 -3.633 1.00 0.00 H new ATOM 0 HA SER A 91 15.741 -9.734 -3.483 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.973 -10.757 -3.339 1.00 0.00 H new ATOM 0 HB3 SER A 91 16.869 -11.620 -2.287 1.00 0.00 H new ATOM 0 HG SER A 91 16.558 -13.164 -4.047 1.00 0.00 H new ATOM 1376 N LEU A 92 17.213 -9.566 -5.695 1.00 0.00 N ATOM 1377 CA LEU A 92 17.604 -9.233 -7.060 1.00 0.00 C ATOM 1378 C LEU A 92 18.448 -10.368 -7.653 1.00 0.00 C ATOM 1379 O LEU A 92 19.146 -11.067 -6.919 1.00 0.00 O ATOM 1380 CB LEU A 92 18.423 -7.934 -7.065 1.00 0.00 C ATOM 1381 CG LEU A 92 17.516 -6.716 -6.802 1.00 0.00 C ATOM 1382 CD1 LEU A 92 16.533 -6.504 -7.969 1.00 0.00 C ATOM 1383 CD2 LEU A 92 16.735 -6.921 -5.496 1.00 0.00 C ATOM 0 H LEU A 92 17.753 -9.093 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 92 16.705 -9.098 -7.662 1.00 0.00 H new ATOM 0 HB2 LEU A 92 19.201 -7.986 -6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 92 18.925 -7.819 -8.025 1.00 0.00 H new ATOM 0 HG LEU A 92 18.145 -5.830 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.903 -5.639 -7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 92 17.092 -6.333 -8.889 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.908 -7.389 -8.083 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.096 -6.057 -5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.120 -7.817 -5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 92 17.434 -7.034 -4.668 1.00 0.00 H new ATOM 1395 N PRO A 93 18.407 -10.569 -8.954 1.00 0.00 N ATOM 1396 CA PRO A 93 19.197 -11.645 -9.617 1.00 0.00 C ATOM 1397 C PRO A 93 20.571 -11.831 -8.975 1.00 0.00 C ATOM 1398 O PRO A 93 20.849 -12.864 -8.367 1.00 0.00 O ATOM 1399 CB PRO A 93 19.317 -11.143 -11.056 1.00 0.00 C ATOM 1400 CG PRO A 93 18.049 -10.382 -11.300 1.00 0.00 C ATOM 1401 CD PRO A 93 17.614 -9.806 -9.939 1.00 0.00 C ATOM 0 HA PRO A 93 18.725 -12.624 -9.537 1.00 0.00 H new ATOM 0 HB2 PRO A 93 20.192 -10.505 -11.181 1.00 0.00 H new ATOM 0 HB3 PRO A 93 19.423 -11.971 -11.757 1.00 0.00 H new ATOM 0 HG2 PRO A 93 18.209 -9.584 -12.025 1.00 0.00 H new ATOM 0 HG3 PRO A 93 17.278 -11.035 -11.709 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.820 -8.738 -9.874 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.544 -9.935 -9.775 1.00 0.00 H new ATOM 1409 N GLN A 94 21.424 -10.821 -9.113 1.00 0.00 N ATOM 1410 CA GLN A 94 22.764 -10.882 -8.542 1.00 0.00 C ATOM 1411 C GLN A 94 22.680 -11.030 -7.018 1.00 0.00 C ATOM 1412 O GLN A 94 21.709 -10.587 -6.407 1.00 0.00 O ATOM 1413 CB GLN A 94 23.535 -9.605 -8.901 1.00 0.00 C ATOM 1414 CG GLN A 94 22.598 -8.398 -8.799 1.00 0.00 C ATOM 1415 CD GLN A 94 23.412 -7.108 -8.788 1.00 0.00 C ATOM 1416 OE1 GLN A 94 23.376 -6.343 -9.751 1.00 0.00 O ATOM 1417 NE2 GLN A 94 24.146 -6.819 -7.747 1.00 0.00 N ATOM 0 H GLN A 94 21.213 -9.957 -9.612 1.00 0.00 H new ATOM 0 HA GLN A 94 23.288 -11.746 -8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 94 24.383 -9.478 -8.228 1.00 0.00 H new ATOM 0 HB3 GLN A 94 23.938 -9.682 -9.911 1.00 0.00 H new ATOM 0 HG2 GLN A 94 21.904 -8.393 -9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 94 21.999 -8.468 -7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 94 24.174 -7.455 -6.950 1.00 0.00 H new ATOM 0 HE22 GLN A 94 24.691 -5.957 -7.731 1.00 0.00 H new ATOM 1426 N PRO A 95 23.666 -11.636 -6.391 1.00 0.00 N ATOM 1427 CA PRO A 95 23.674 -11.824 -4.913 1.00 0.00 C ATOM 1428 C PRO A 95 23.083 -10.624 -4.170 1.00 0.00 C ATOM 1429 O PRO A 95 22.986 -9.527 -4.720 1.00 0.00 O ATOM 1430 CB PRO A 95 25.161 -11.997 -4.598 1.00 0.00 C ATOM 1431 CG PRO A 95 25.732 -12.667 -5.811 1.00 0.00 C ATOM 1432 CD PRO A 95 24.878 -12.210 -7.010 1.00 0.00 C ATOM 0 HA PRO A 95 23.060 -12.667 -4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 95 25.641 -11.036 -4.414 1.00 0.00 H new ATOM 0 HB3 PRO A 95 25.308 -12.604 -3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 95 26.777 -12.389 -5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 95 25.702 -13.751 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 95 25.404 -11.472 -7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 95 24.633 -13.045 -7.666 1.00 0.00 H new ATOM 1440 N VAL A 96 22.689 -10.845 -2.920 1.00 0.00 N ATOM 1441 CA VAL A 96 22.109 -9.777 -2.113 1.00 0.00 C ATOM 1442 C VAL A 96 23.168 -8.738 -1.755 1.00 0.00 C ATOM 1443 O VAL A 96 24.017 -9.045 -0.934 1.00 0.00 O ATOM 1444 CB VAL A 96 21.511 -10.358 -0.831 1.00 0.00 C ATOM 1445 CG1 VAL A 96 20.681 -9.285 -0.123 1.00 0.00 C ATOM 1446 CG2 VAL A 96 20.613 -11.547 -1.181 1.00 0.00 C ATOM 1447 OXT VAL A 96 23.113 -7.652 -2.307 1.00 0.00 O ATOM 0 H VAL A 96 22.760 -11.746 -2.447 1.00 0.00 H new ATOM 0 HA VAL A 96 21.324 -9.294 -2.695 1.00 0.00 H new ATOM 0 HB VAL A 96 22.314 -10.689 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.255 -9.699 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 96 21.319 -8.437 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 96 19.877 -8.954 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.186 -11.962 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 96 19.810 -11.215 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.203 -12.312 -1.686 1.00 0.00 H new TER 1457 VAL A 96