USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 553 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.033) USER MOD Single : A 28 SER OG : rot -25:sc= 0.492 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.52 K(o=-1.5,f=-5.8!) USER MOD Single : A 45 GLN : amide:sc= -0.18 K(o=-0.18,f=-2.4!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -55:sc= 1.01 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -60:sc= 0.889 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -5.129 -14.410 22.653 1.00 0.00 N ATOM 19 CA SER A 2 -5.935 -15.609 22.497 1.00 0.00 C ATOM 20 C SER A 2 -5.807 -16.143 21.069 1.00 0.00 C ATOM 21 O SER A 2 -5.046 -15.604 20.267 1.00 0.00 O ATOM 22 CB SER A 2 -7.403 -15.334 22.831 1.00 0.00 C ATOM 23 OG SER A 2 -7.963 -16.352 23.655 1.00 0.00 O ATOM 0 HA SER A 2 -5.567 -16.361 23.194 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.486 -14.372 23.337 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.977 -15.259 21.907 1.00 0.00 H new ATOM 0 HG SER A 2 -8.900 -16.139 23.847 1.00 0.00 H new ATOM 29 N LEU A 3 -6.563 -17.196 20.795 1.00 0.00 N ATOM 30 CA LEU A 3 -6.544 -17.809 19.477 1.00 0.00 C ATOM 31 C LEU A 3 -7.483 -17.038 18.547 1.00 0.00 C ATOM 32 O LEU A 3 -7.157 -16.806 17.384 1.00 0.00 O ATOM 33 CB LEU A 3 -6.864 -19.302 19.576 1.00 0.00 C ATOM 34 CG LEU A 3 -5.727 -20.257 19.209 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.763 -21.512 20.084 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.757 -20.597 17.717 1.00 0.00 C ATOM 0 H LEU A 3 -7.193 -17.641 21.463 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.546 -17.749 19.043 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.179 -19.519 20.597 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.714 -19.515 18.928 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.780 -19.754 19.405 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.945 -22.175 19.803 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.658 -21.229 21.131 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.713 -22.028 19.942 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.938 -21.277 17.482 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.706 -21.073 17.471 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.648 -19.683 17.133 1.00 0.00 H new ATOM 48 N GLY A 4 -8.629 -16.662 19.095 1.00 0.00 N ATOM 49 CA GLY A 4 -9.618 -15.923 18.328 1.00 0.00 C ATOM 50 C GLY A 4 -9.090 -14.539 17.943 1.00 0.00 C ATOM 51 O GLY A 4 -9.163 -14.144 16.781 1.00 0.00 O ATOM 0 H GLY A 4 -8.895 -16.855 20.061 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.877 -16.481 17.428 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.532 -15.818 18.912 1.00 0.00 H new ATOM 55 N VAL A 5 -8.570 -13.841 18.942 1.00 0.00 N ATOM 56 CA VAL A 5 -8.030 -12.510 18.722 1.00 0.00 C ATOM 57 C VAL A 5 -6.955 -12.573 17.635 1.00 0.00 C ATOM 58 O VAL A 5 -6.783 -11.625 16.871 1.00 0.00 O ATOM 59 CB VAL A 5 -7.514 -11.930 20.041 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.184 -12.573 20.439 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.384 -10.408 19.957 1.00 0.00 C ATOM 0 H VAL A 5 -8.511 -14.172 19.905 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.810 -11.835 18.369 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.244 -12.161 20.817 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.839 -12.143 21.380 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.321 -13.648 20.560 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.443 -12.387 19.662 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.016 -10.021 20.907 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.685 -10.146 19.163 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.359 -9.971 19.741 1.00 0.00 H new ATOM 71 N LEU A 6 -6.259 -13.700 17.601 1.00 0.00 N ATOM 72 CA LEU A 6 -5.205 -13.899 16.621 1.00 0.00 C ATOM 73 C LEU A 6 -5.808 -13.861 15.215 1.00 0.00 C ATOM 74 O LEU A 6 -5.340 -13.116 14.355 1.00 0.00 O ATOM 75 CB LEU A 6 -4.428 -15.182 16.923 1.00 0.00 C ATOM 76 CG LEU A 6 -3.133 -15.383 16.134 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.910 -16.863 15.814 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.117 -14.515 14.874 1.00 0.00 C ATOM 0 H LEU A 6 -6.404 -14.485 18.236 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.475 -13.091 16.677 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.188 -15.196 17.986 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.082 -16.033 16.732 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.300 -15.059 16.758 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.983 -16.978 15.253 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.845 -17.430 16.743 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.743 -17.236 15.219 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.185 -14.677 14.332 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.959 -14.784 14.236 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.195 -13.465 15.155 1.00 0.00 H new ATOM 90 N ALA A 7 -6.838 -14.672 15.026 1.00 0.00 N ATOM 91 CA ALA A 7 -7.510 -14.741 13.739 1.00 0.00 C ATOM 92 C ALA A 7 -7.913 -13.330 13.304 1.00 0.00 C ATOM 93 O ALA A 7 -7.947 -13.031 12.112 1.00 0.00 O ATOM 94 CB ALA A 7 -8.709 -15.686 13.839 1.00 0.00 C ATOM 0 H ALA A 7 -7.224 -15.287 15.742 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.842 -15.143 12.977 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.213 -15.738 12.874 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.366 -16.681 14.123 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.404 -15.314 14.592 1.00 0.00 H new ATOM 100 N ALA A 8 -8.209 -12.502 14.295 1.00 0.00 N ATOM 101 CA ALA A 8 -8.609 -11.130 14.029 1.00 0.00 C ATOM 102 C ALA A 8 -7.400 -10.340 13.524 1.00 0.00 C ATOM 103 O ALA A 8 -7.549 -9.412 12.731 1.00 0.00 O ATOM 104 CB ALA A 8 -9.216 -10.521 15.294 1.00 0.00 C ATOM 0 H ALA A 8 -8.180 -12.754 15.283 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.373 -11.097 13.252 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.516 -9.492 15.095 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.088 -11.101 15.595 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.477 -10.535 16.095 1.00 0.00 H new ATOM 110 N ALA A 9 -6.231 -10.737 14.004 1.00 0.00 N ATOM 111 CA ALA A 9 -4.998 -10.078 13.611 1.00 0.00 C ATOM 112 C ALA A 9 -4.663 -10.451 12.165 1.00 0.00 C ATOM 113 O ALA A 9 -4.059 -9.662 11.440 1.00 0.00 O ATOM 114 CB ALA A 9 -3.881 -10.460 14.585 1.00 0.00 C ATOM 0 H ALA A 9 -6.112 -11.507 14.662 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.112 -8.995 13.654 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.956 -9.965 14.290 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.154 -10.147 15.593 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.736 -11.540 14.567 1.00 0.00 H new ATOM 120 N ILE A 10 -5.070 -11.655 11.789 1.00 0.00 N ATOM 121 CA ILE A 10 -4.821 -12.143 10.443 1.00 0.00 C ATOM 122 C ILE A 10 -5.834 -11.517 9.483 1.00 0.00 C ATOM 123 O ILE A 10 -5.454 -10.898 8.491 1.00 0.00 O ATOM 124 CB ILE A 10 -4.815 -13.673 10.421 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.393 -14.218 10.571 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.502 -14.205 9.162 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.334 -15.309 11.642 1.00 0.00 C ATOM 0 H ILE A 10 -5.570 -12.307 12.393 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.831 -11.839 10.104 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.388 -14.029 11.277 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.052 -14.621 9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.715 -13.407 10.835 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.484 -15.295 9.171 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.535 -13.859 9.138 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.977 -13.841 8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.312 -15.679 11.728 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.653 -14.897 12.599 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.995 -16.130 11.362 1.00 0.00 H new ATOM 139 N ALA A 11 -7.105 -11.702 9.812 1.00 0.00 N ATOM 140 CA ALA A 11 -8.176 -11.163 8.991 1.00 0.00 C ATOM 141 C ALA A 11 -7.962 -9.660 8.803 1.00 0.00 C ATOM 142 O ALA A 11 -8.442 -9.078 7.831 1.00 0.00 O ATOM 143 CB ALA A 11 -9.525 -11.484 9.637 1.00 0.00 C ATOM 0 H ALA A 11 -7.416 -12.217 10.635 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.170 -11.622 8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.329 -11.080 9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.640 -12.565 9.721 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.569 -11.037 10.630 1.00 0.00 H new ATOM 149 N VAL A 12 -7.241 -9.074 9.748 1.00 0.00 N ATOM 150 CA VAL A 12 -6.958 -7.650 9.699 1.00 0.00 C ATOM 151 C VAL A 12 -5.865 -7.387 8.661 1.00 0.00 C ATOM 152 O VAL A 12 -6.029 -6.541 7.783 1.00 0.00 O ATOM 153 CB VAL A 12 -6.593 -7.141 11.094 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.473 -6.100 11.022 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.820 -6.576 11.811 1.00 0.00 C ATOM 0 H VAL A 12 -6.844 -9.560 10.552 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.843 -7.095 9.387 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.227 -7.988 11.674 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.232 -5.754 12.027 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.588 -6.549 10.571 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.800 -5.255 10.416 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.532 -6.221 12.801 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.229 -5.747 11.233 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.574 -7.356 11.911 1.00 0.00 H new ATOM 165 N GLY A 13 -4.775 -8.128 8.796 1.00 0.00 N ATOM 166 CA GLY A 13 -3.656 -7.986 7.881 1.00 0.00 C ATOM 167 C GLY A 13 -4.107 -8.167 6.430 1.00 0.00 C ATOM 168 O GLY A 13 -3.600 -7.498 5.531 1.00 0.00 O ATOM 0 H GLY A 13 -4.643 -8.829 9.525 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.203 -7.002 8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.889 -8.722 8.122 1.00 0.00 H new ATOM 172 N LEU A 14 -5.055 -9.074 6.248 1.00 0.00 N ATOM 173 CA LEU A 14 -5.580 -9.352 4.922 1.00 0.00 C ATOM 174 C LEU A 14 -6.438 -8.172 4.461 1.00 0.00 C ATOM 175 O LEU A 14 -6.452 -7.835 3.278 1.00 0.00 O ATOM 176 CB LEU A 14 -6.318 -10.692 4.908 1.00 0.00 C ATOM 177 CG LEU A 14 -5.541 -11.892 5.452 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.463 -12.838 6.224 1.00 0.00 C ATOM 179 CD2 LEU A 14 -4.790 -12.613 4.331 1.00 0.00 C ATOM 0 H LEU A 14 -5.473 -9.626 6.997 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.767 -9.455 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.235 -10.585 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.613 -10.911 3.882 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.794 -11.524 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.885 -13.683 6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.913 -12.305 7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.248 -13.202 5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.246 -13.462 4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.502 -12.967 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.086 -11.925 3.863 1.00 0.00 H new ATOM 191 N GLY A 15 -7.132 -7.576 5.419 1.00 0.00 N ATOM 192 CA GLY A 15 -7.991 -6.441 5.126 1.00 0.00 C ATOM 193 C GLY A 15 -7.163 -5.206 4.766 1.00 0.00 C ATOM 194 O GLY A 15 -7.447 -4.530 3.778 1.00 0.00 O ATOM 0 H GLY A 15 -7.117 -7.858 6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.659 -6.689 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.619 -6.223 5.990 1.00 0.00 H new ATOM 198 N ALA A 16 -6.155 -4.949 5.587 1.00 0.00 N ATOM 199 CA ALA A 16 -5.284 -3.807 5.367 1.00 0.00 C ATOM 200 C ALA A 16 -4.435 -4.051 4.118 1.00 0.00 C ATOM 201 O ALA A 16 -3.864 -3.116 3.558 1.00 0.00 O ATOM 202 CB ALA A 16 -4.430 -3.569 6.614 1.00 0.00 C ATOM 0 H ALA A 16 -5.922 -5.512 6.405 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.871 -2.905 5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.776 -2.712 6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.079 -3.372 7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.825 -4.453 6.815 1.00 0.00 H new ATOM 208 N LEU A 17 -4.379 -5.313 3.717 1.00 0.00 N ATOM 209 CA LEU A 17 -3.609 -5.691 2.544 1.00 0.00 C ATOM 210 C LEU A 17 -4.292 -5.138 1.291 1.00 0.00 C ATOM 211 O LEU A 17 -3.688 -4.378 0.536 1.00 0.00 O ATOM 212 CB LEU A 17 -3.395 -7.206 2.510 1.00 0.00 C ATOM 213 CG LEU A 17 -2.769 -7.766 1.231 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.599 -8.697 1.556 1.00 0.00 C ATOM 215 CD2 LEU A 17 -3.823 -8.453 0.360 1.00 0.00 C ATOM 0 H LEU A 17 -4.854 -6.086 4.183 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.612 -5.252 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.761 -7.482 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.358 -7.693 2.663 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.368 -6.933 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.172 -9.081 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.837 -8.145 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.954 -9.529 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.352 -8.842 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.275 -9.274 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.594 -7.733 0.085 1.00 0.00 H new ATOM 227 N GLY A 18 -5.541 -5.541 1.109 1.00 0.00 N ATOM 228 CA GLY A 18 -6.311 -5.096 -0.039 1.00 0.00 C ATOM 229 C GLY A 18 -6.770 -3.647 0.138 1.00 0.00 C ATOM 230 O GLY A 18 -7.011 -2.944 -0.842 1.00 0.00 O ATOM 0 H GLY A 18 -6.039 -6.171 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.707 -5.182 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.178 -5.742 -0.173 1.00 0.00 H new ATOM 234 N ALA A 19 -6.879 -3.243 1.395 1.00 0.00 N ATOM 235 CA ALA A 19 -7.305 -1.891 1.713 1.00 0.00 C ATOM 236 C ALA A 19 -6.154 -0.920 1.437 1.00 0.00 C ATOM 237 O ALA A 19 -6.340 0.093 0.765 1.00 0.00 O ATOM 238 CB ALA A 19 -7.780 -1.833 3.166 1.00 0.00 C ATOM 0 H ALA A 19 -6.679 -3.829 2.206 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.145 -1.596 1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.099 -0.818 3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.616 -2.518 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.963 -2.121 3.828 1.00 0.00 H new ATOM 244 N GLY A 20 -4.991 -1.264 1.971 1.00 0.00 N ATOM 245 CA GLY A 20 -3.811 -0.436 1.790 1.00 0.00 C ATOM 246 C GLY A 20 -3.562 -0.153 0.308 1.00 0.00 C ATOM 247 O GLY A 20 -3.456 1.004 -0.098 1.00 0.00 O ATOM 0 H GLY A 20 -4.841 -2.105 2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.936 0.504 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.943 -0.935 2.219 1.00 0.00 H new ATOM 251 N ILE A 21 -3.475 -1.228 -0.461 1.00 0.00 N ATOM 252 CA ILE A 21 -3.240 -1.110 -1.890 1.00 0.00 C ATOM 253 C ILE A 21 -4.236 -0.114 -2.486 1.00 0.00 C ATOM 254 O ILE A 21 -3.904 0.622 -3.414 1.00 0.00 O ATOM 255 CB ILE A 21 -3.276 -2.488 -2.555 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.349 -2.534 -3.771 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.709 -2.887 -2.911 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.939 -2.975 -3.369 1.00 0.00 C ATOM 0 H ILE A 21 -3.563 -2.186 -0.121 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.242 -0.716 -2.080 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.905 -3.223 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.751 -3.223 -4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.307 -1.550 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.707 -3.870 -3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.313 -2.921 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.130 -2.155 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.300 -2.999 -4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.530 -2.271 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.982 -3.969 -2.924 1.00 0.00 H new ATOM 270 N GLY A 22 -5.438 -0.122 -1.928 1.00 0.00 N ATOM 271 CA GLY A 22 -6.485 0.772 -2.392 1.00 0.00 C ATOM 272 C GLY A 22 -6.214 2.211 -1.948 1.00 0.00 C ATOM 273 O GLY A 22 -6.563 3.158 -2.651 1.00 0.00 O ATOM 0 H GLY A 22 -5.710 -0.734 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.549 0.729 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.448 0.443 -2.002 1.00 0.00 H new ATOM 277 N ASN A 23 -5.595 2.330 -0.782 1.00 0.00 N ATOM 278 CA ASN A 23 -5.274 3.638 -0.236 1.00 0.00 C ATOM 279 C ASN A 23 -4.128 4.254 -1.040 1.00 0.00 C ATOM 280 O ASN A 23 -4.078 5.470 -1.224 1.00 0.00 O ATOM 281 CB ASN A 23 -4.824 3.529 1.223 1.00 0.00 C ATOM 282 CG ASN A 23 -4.915 4.884 1.927 1.00 0.00 C ATOM 283 OD1 ASN A 23 -3.945 5.408 2.450 1.00 0.00 O ATOM 284 ND2 ASN A 23 -6.131 5.421 1.911 1.00 0.00 N ATOM 0 H ASN A 23 -5.308 1.543 -0.201 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.169 4.257 -0.292 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.445 2.801 1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.799 3.162 1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.295 6.325 2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.900 4.929 1.455 1.00 0.00 H new ATOM 291 N GLY A 24 -3.235 3.389 -1.497 1.00 0.00 N ATOM 292 CA GLY A 24 -2.093 3.833 -2.277 1.00 0.00 C ATOM 293 C GLY A 24 -2.509 4.183 -3.708 1.00 0.00 C ATOM 294 O GLY A 24 -1.870 5.007 -4.360 1.00 0.00 O ATOM 0 H GLY A 24 -3.279 2.382 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.641 4.704 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.335 3.050 -2.296 1.00 0.00 H new ATOM 298 N LEU A 25 -3.577 3.538 -4.154 1.00 0.00 N ATOM 299 CA LEU A 25 -4.086 3.771 -5.495 1.00 0.00 C ATOM 300 C LEU A 25 -4.732 5.156 -5.558 1.00 0.00 C ATOM 301 O LEU A 25 -4.603 5.860 -6.558 1.00 0.00 O ATOM 302 CB LEU A 25 -5.022 2.636 -5.917 1.00 0.00 C ATOM 303 CG LEU A 25 -4.344 1.349 -6.392 1.00 0.00 C ATOM 304 CD1 LEU A 25 -5.168 0.120 -6.005 1.00 0.00 C ATOM 305 CD2 LEU A 25 -4.063 1.401 -7.895 1.00 0.00 C ATOM 0 H LEU A 25 -4.104 2.854 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.270 3.767 -6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.669 2.393 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.665 3.001 -6.718 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.382 1.263 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.664 -0.781 -6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.274 0.079 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.155 0.184 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.581 0.475 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.001 1.522 -8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.406 2.243 -8.113 1.00 0.00 H new ATOM 317 N ILE A 26 -5.413 5.506 -4.477 1.00 0.00 N ATOM 318 CA ILE A 26 -6.080 6.794 -4.396 1.00 0.00 C ATOM 319 C ILE A 26 -5.029 7.901 -4.278 1.00 0.00 C ATOM 320 O ILE A 26 -5.214 8.996 -4.806 1.00 0.00 O ATOM 321 CB ILE A 26 -7.106 6.797 -3.262 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.227 5.791 -3.533 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.648 8.207 -3.016 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.994 6.156 -4.805 1.00 0.00 C ATOM 0 H ILE A 26 -5.517 4.919 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.647 6.987 -5.307 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.604 6.481 -2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.807 4.790 -3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.912 5.767 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.376 8.181 -2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.827 8.870 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.128 8.575 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.785 5.426 -4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.433 7.147 -4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.311 6.156 -5.654 1.00 0.00 H new ATOM 336 N VAL A 27 -3.950 7.576 -3.582 1.00 0.00 N ATOM 337 CA VAL A 27 -2.870 8.528 -3.388 1.00 0.00 C ATOM 338 C VAL A 27 -2.125 8.724 -4.710 1.00 0.00 C ATOM 339 O VAL A 27 -1.895 9.855 -5.135 1.00 0.00 O ATOM 340 CB VAL A 27 -1.958 8.061 -2.252 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.839 9.073 -1.995 1.00 0.00 C ATOM 342 CG2 VAL A 27 -2.762 7.797 -0.977 1.00 0.00 C ATOM 0 H VAL A 27 -3.800 6.666 -3.145 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.266 9.499 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.496 7.122 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.205 8.716 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.240 9.190 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.274 10.034 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.090 7.466 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.264 8.713 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.505 7.023 -1.169 1.00 0.00 H new ATOM 352 N SER A 28 -1.769 7.605 -5.324 1.00 0.00 N ATOM 353 CA SER A 28 -1.055 7.640 -6.589 1.00 0.00 C ATOM 354 C SER A 28 -1.900 8.352 -7.647 1.00 0.00 C ATOM 355 O SER A 28 -1.361 8.953 -8.575 1.00 0.00 O ATOM 356 CB SER A 28 -0.697 6.228 -7.058 1.00 0.00 C ATOM 357 OG SER A 28 -1.851 5.480 -7.431 1.00 0.00 O ATOM 0 H SER A 28 -1.962 6.668 -4.969 1.00 0.00 H new ATOM 0 HA SER A 28 -0.126 8.192 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.015 6.290 -7.906 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.168 5.705 -6.262 1.00 0.00 H new ATOM 0 HG SER A 28 -2.635 5.832 -6.961 1.00 0.00 H new ATOM 363 N ARG A 29 -3.210 8.261 -7.472 1.00 0.00 N ATOM 364 CA ARG A 29 -4.134 8.889 -8.400 1.00 0.00 C ATOM 365 C ARG A 29 -4.098 10.410 -8.238 1.00 0.00 C ATOM 366 O ARG A 29 -4.229 11.146 -9.215 1.00 0.00 O ATOM 367 CB ARG A 29 -5.564 8.393 -8.175 1.00 0.00 C ATOM 368 CG ARG A 29 -6.400 8.532 -9.449 1.00 0.00 C ATOM 369 CD ARG A 29 -7.011 9.930 -9.555 1.00 0.00 C ATOM 370 NE ARG A 29 -8.483 9.832 -9.673 1.00 0.00 N ATOM 371 CZ ARG A 29 -9.130 9.599 -10.823 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.440 9.440 -11.960 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.468 9.526 -10.835 1.00 0.00 N ATOM 0 H ARG A 29 -3.653 7.762 -6.701 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.823 8.620 -9.409 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.545 7.350 -7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.027 8.961 -7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.775 8.337 -10.321 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.193 7.784 -9.451 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.747 10.519 -8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.602 10.450 -10.422 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.040 9.949 -8.826 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.422 9.496 -11.951 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.933 9.263 -12.835 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.993 9.648 -9.969 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.961 9.349 -11.710 1.00 0.00 H new ATOM 387 N THR A 30 -3.919 10.837 -6.996 1.00 0.00 N ATOM 388 CA THR A 30 -3.864 12.257 -6.693 1.00 0.00 C ATOM 389 C THR A 30 -2.483 12.821 -7.033 1.00 0.00 C ATOM 390 O THR A 30 -2.368 13.960 -7.485 1.00 0.00 O ATOM 391 CB THR A 30 -4.252 12.442 -5.225 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.115 13.575 -5.234 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.070 12.881 -4.358 1.00 0.00 C ATOM 0 H THR A 30 -3.810 10.224 -6.188 1.00 0.00 H new ATOM 0 HA THR A 30 -4.570 12.820 -7.304 1.00 0.00 H new ATOM 0 HB THR A 30 -4.660 11.509 -4.837 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.415 13.765 -4.321 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.400 12.998 -3.326 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.284 12.127 -4.405 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.683 13.832 -4.725 1.00 0.00 H new ATOM 401 N ILE A 31 -1.470 11.999 -6.803 1.00 0.00 N ATOM 402 CA ILE A 31 -0.102 12.402 -7.079 1.00 0.00 C ATOM 403 C ILE A 31 0.111 12.467 -8.593 1.00 0.00 C ATOM 404 O ILE A 31 0.766 13.380 -9.093 1.00 0.00 O ATOM 405 CB ILE A 31 0.884 11.481 -6.358 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.092 12.266 -5.842 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.300 10.314 -7.255 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.748 13.018 -4.555 1.00 0.00 C ATOM 0 H ILE A 31 -1.569 11.055 -6.428 1.00 0.00 H new ATOM 0 HA ILE A 31 0.087 13.402 -6.687 1.00 0.00 H new ATOM 0 HB ILE A 31 0.381 11.056 -5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.922 11.584 -5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.423 12.973 -6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.001 9.675 -6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.419 9.735 -7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.777 10.700 -8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.624 13.568 -4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.934 13.717 -4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.441 12.306 -3.789 1.00 0.00 H new ATOM 420 N GLU A 32 -0.456 11.485 -9.280 1.00 0.00 N ATOM 421 CA GLU A 32 -0.337 11.419 -10.726 1.00 0.00 C ATOM 422 C GLU A 32 -1.143 12.544 -11.378 1.00 0.00 C ATOM 423 O GLU A 32 -0.793 13.019 -12.457 1.00 0.00 O ATOM 424 CB GLU A 32 -0.780 10.052 -11.251 1.00 0.00 C ATOM 425 CG GLU A 32 -2.297 10.004 -11.442 1.00 0.00 C ATOM 426 CD GLU A 32 -2.725 8.695 -12.109 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.481 8.573 -13.329 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.285 7.845 -11.383 1.00 0.00 O ATOM 0 H GLU A 32 -0.999 10.729 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 32 0.712 11.551 -10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.284 9.844 -12.199 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.473 9.273 -10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.792 10.103 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.617 10.849 -12.052 1.00 0.00 H new ATOM 435 N GLY A 33 -2.208 12.938 -10.694 1.00 0.00 N ATOM 436 CA GLY A 33 -3.067 13.998 -11.193 1.00 0.00 C ATOM 437 C GLY A 33 -2.318 15.332 -11.245 1.00 0.00 C ATOM 438 O GLY A 33 -2.423 16.068 -12.225 1.00 0.00 O ATOM 0 H GLY A 33 -2.495 12.542 -9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.428 13.740 -12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.943 14.093 -10.551 1.00 0.00 H new ATOM 442 N ILE A 34 -1.580 15.601 -10.179 1.00 0.00 N ATOM 443 CA ILE A 34 -0.814 16.833 -10.091 1.00 0.00 C ATOM 444 C ILE A 34 0.334 16.788 -11.102 1.00 0.00 C ATOM 445 O ILE A 34 0.750 17.823 -11.621 1.00 0.00 O ATOM 446 CB ILE A 34 -0.356 17.077 -8.652 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.977 16.378 -8.374 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.439 16.664 -7.654 1.00 0.00 C ATOM 449 CD1 ILE A 34 2.141 17.369 -8.442 1.00 0.00 C ATOM 0 H ILE A 34 -1.496 14.987 -9.369 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.437 17.688 -10.353 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.191 18.147 -8.523 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.949 15.912 -7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.131 15.580 -9.100 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.087 16.848 -6.639 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.343 17.246 -7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.660 15.603 -7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.076 16.846 -8.241 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.181 17.815 -9.436 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.996 18.152 -7.698 1.00 0.00 H new ATOM 461 N ALA A 35 0.813 15.578 -11.352 1.00 0.00 N ATOM 462 CA ALA A 35 1.904 15.384 -12.292 1.00 0.00 C ATOM 463 C ALA A 35 1.446 15.798 -13.691 1.00 0.00 C ATOM 464 O ALA A 35 2.263 16.171 -14.532 1.00 0.00 O ATOM 465 CB ALA A 35 2.373 13.929 -12.238 1.00 0.00 C ATOM 0 H ALA A 35 0.465 14.722 -10.920 1.00 0.00 H new ATOM 0 HA ALA A 35 2.755 16.010 -12.026 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.191 13.784 -12.943 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.717 13.695 -11.230 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.546 13.270 -12.502 1.00 0.00 H new ATOM 471 N ARG A 36 0.139 15.718 -13.899 1.00 0.00 N ATOM 472 CA ARG A 36 -0.438 16.079 -15.183 1.00 0.00 C ATOM 473 C ARG A 36 0.124 17.419 -15.659 1.00 0.00 C ATOM 474 O ARG A 36 0.681 17.510 -16.752 1.00 0.00 O ATOM 475 CB ARG A 36 -1.962 16.176 -15.093 1.00 0.00 C ATOM 476 CG ARG A 36 -2.583 14.807 -14.806 1.00 0.00 C ATOM 477 CD ARG A 36 -4.097 14.835 -15.021 1.00 0.00 C ATOM 478 NE ARG A 36 -4.415 14.532 -16.434 1.00 0.00 N ATOM 479 CZ ARG A 36 -5.655 14.517 -16.939 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.703 14.790 -16.150 1.00 0.00 N ATOM 481 NH2 ARG A 36 -5.849 14.231 -18.234 1.00 0.00 N ATOM 0 H ARG A 36 -0.536 15.409 -13.200 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.176 15.298 -15.896 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.239 16.877 -14.306 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.361 16.571 -16.027 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.134 14.057 -15.456 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.363 14.512 -13.780 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.579 14.108 -14.368 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.492 15.815 -14.753 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.640 14.321 -17.063 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.556 15.009 -15.165 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.648 14.779 -16.535 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.052 14.025 -18.836 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.794 14.220 -18.618 1.00 0.00 H new ATOM 495 N GLN A 37 -0.041 18.428 -14.816 1.00 0.00 N ATOM 496 CA GLN A 37 0.443 19.759 -15.137 1.00 0.00 C ATOM 497 C GLN A 37 1.834 19.681 -15.769 1.00 0.00 C ATOM 498 O GLN A 37 2.517 18.665 -15.649 1.00 0.00 O ATOM 499 CB GLN A 37 0.454 20.653 -13.895 1.00 0.00 C ATOM 500 CG GLN A 37 -0.906 21.322 -13.689 1.00 0.00 C ATOM 501 CD GLN A 37 -0.781 22.847 -13.740 1.00 0.00 C ATOM 502 OE1 GLN A 37 0.292 23.402 -13.909 1.00 0.00 O ATOM 503 NE2 GLN A 37 -1.934 23.490 -13.584 1.00 0.00 N ATOM 0 H GLN A 37 -0.504 18.350 -13.910 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.238 20.207 -15.861 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.708 20.059 -13.017 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.226 21.415 -13.998 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.601 20.985 -14.458 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.322 21.020 -12.728 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.797 22.964 -13.446 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.956 24.510 -13.602 1.00 0.00 H new ATOM 512 N PRO A 38 2.222 20.795 -16.445 1.00 0.00 N ATOM 513 CA PRO A 38 3.520 20.861 -17.096 1.00 0.00 C ATOM 514 C PRO A 38 4.639 21.052 -16.070 1.00 0.00 C ATOM 515 O PRO A 38 5.663 20.373 -16.129 1.00 0.00 O ATOM 516 CB PRO A 38 3.410 22.018 -18.076 1.00 0.00 C ATOM 517 CG PRO A 38 2.223 22.846 -17.611 1.00 0.00 C ATOM 518 CD PRO A 38 1.440 22.016 -16.608 1.00 0.00 C ATOM 0 HA PRO A 38 3.777 19.938 -17.616 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.323 22.613 -18.082 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.259 21.656 -19.093 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.562 23.776 -17.155 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.592 23.117 -18.457 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.327 22.543 -15.661 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.436 21.797 -16.973 1.00 0.00 H new ATOM 526 N GLU A 39 4.405 21.979 -15.152 1.00 0.00 N ATOM 527 CA GLU A 39 5.381 22.268 -14.115 1.00 0.00 C ATOM 528 C GLU A 39 5.608 21.032 -13.242 1.00 0.00 C ATOM 529 O GLU A 39 6.557 20.986 -12.461 1.00 0.00 O ATOM 530 CB GLU A 39 4.942 23.464 -13.268 1.00 0.00 C ATOM 531 CG GLU A 39 5.996 24.573 -13.299 1.00 0.00 C ATOM 532 CD GLU A 39 5.533 25.793 -12.499 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.454 26.322 -12.845 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.268 26.168 -11.560 1.00 0.00 O ATOM 0 H GLU A 39 3.554 22.539 -15.105 1.00 0.00 H new ATOM 0 HA GLU A 39 6.325 22.530 -14.593 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.993 23.849 -13.640 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.775 23.144 -12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.934 24.199 -12.889 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.193 24.864 -14.331 1.00 0.00 H new ATOM 541 N LEU A 40 4.721 20.061 -13.403 1.00 0.00 N ATOM 542 CA LEU A 40 4.813 18.829 -12.639 1.00 0.00 C ATOM 543 C LEU A 40 5.152 17.673 -13.583 1.00 0.00 C ATOM 544 O LEU A 40 4.715 16.544 -13.369 1.00 0.00 O ATOM 545 CB LEU A 40 3.535 18.605 -11.828 1.00 0.00 C ATOM 546 CG LEU A 40 3.178 19.703 -10.823 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.428 20.223 -10.111 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.392 20.829 -11.498 1.00 0.00 C ATOM 0 H LEU A 40 3.935 20.103 -14.052 1.00 0.00 H new ATOM 0 HA LEU A 40 5.620 18.893 -11.909 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.703 18.491 -12.523 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.631 17.663 -11.288 1.00 0.00 H new ATOM 0 HG LEU A 40 2.530 19.270 -10.060 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.146 21.002 -9.403 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.910 19.404 -9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.121 20.634 -10.845 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.151 21.596 -10.762 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.994 21.266 -12.294 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.470 20.428 -11.919 1.00 0.00 H new ATOM 560 N ARG A 41 5.929 17.996 -14.607 1.00 0.00 N ATOM 561 CA ARG A 41 6.332 16.999 -15.584 1.00 0.00 C ATOM 562 C ARG A 41 7.192 15.922 -14.919 1.00 0.00 C ATOM 563 O ARG A 41 7.024 14.734 -15.190 1.00 0.00 O ATOM 564 CB ARG A 41 7.121 17.637 -16.729 1.00 0.00 C ATOM 565 CG ARG A 41 6.960 16.833 -18.020 1.00 0.00 C ATOM 566 CD ARG A 41 7.701 15.497 -17.930 1.00 0.00 C ATOM 567 NE ARG A 41 8.590 15.332 -19.102 1.00 0.00 N ATOM 568 CZ ARG A 41 9.436 14.305 -19.264 1.00 0.00 C ATOM 569 NH1 ARG A 41 9.512 13.346 -18.331 1.00 0.00 N ATOM 570 NH2 ARG A 41 10.205 14.237 -20.359 1.00 0.00 N ATOM 0 H ARG A 41 6.290 18.934 -14.781 1.00 0.00 H new ATOM 0 HA ARG A 41 5.427 16.547 -15.990 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.777 18.659 -16.887 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.176 17.694 -16.461 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.902 16.654 -18.212 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.343 17.410 -18.862 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.286 15.457 -17.011 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.985 14.676 -17.888 1.00 0.00 H new ATOM 0 HE ARG A 41 8.557 16.044 -19.832 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.926 13.398 -17.498 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.156 12.564 -18.454 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.147 14.967 -21.069 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.849 13.456 -20.482 1.00 0.00 H new ATOM 584 N PRO A 42 8.118 16.388 -14.039 1.00 0.00 N ATOM 585 CA PRO A 42 9.004 15.478 -13.334 1.00 0.00 C ATOM 586 C PRO A 42 8.261 14.745 -12.216 1.00 0.00 C ATOM 587 O PRO A 42 8.720 13.710 -11.735 1.00 0.00 O ATOM 588 CB PRO A 42 10.137 16.351 -12.820 1.00 0.00 C ATOM 589 CG PRO A 42 9.612 17.778 -12.854 1.00 0.00 C ATOM 590 CD PRO A 42 8.345 17.788 -13.694 1.00 0.00 C ATOM 0 HA PRO A 42 9.389 14.685 -13.975 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.423 16.064 -11.808 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.025 16.246 -13.444 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.404 18.132 -11.844 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.358 18.449 -13.280 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.504 18.200 -13.137 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.467 18.401 -14.587 1.00 0.00 H new ATOM 598 N VAL A 43 7.124 15.310 -11.835 1.00 0.00 N ATOM 599 CA VAL A 43 6.313 14.723 -10.782 1.00 0.00 C ATOM 600 C VAL A 43 5.846 13.333 -11.219 1.00 0.00 C ATOM 601 O VAL A 43 5.613 12.461 -10.384 1.00 0.00 O ATOM 602 CB VAL A 43 5.155 15.659 -10.431 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.160 14.972 -9.492 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.670 16.965 -9.823 1.00 0.00 C ATOM 0 H VAL A 43 6.746 16.168 -12.237 1.00 0.00 H new ATOM 0 HA VAL A 43 6.900 14.598 -9.872 1.00 0.00 H new ATOM 0 HB VAL A 43 4.631 15.904 -11.355 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.347 15.659 -9.258 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.756 14.083 -9.977 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.668 14.684 -8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.826 17.612 -9.583 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.230 16.747 -8.914 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.321 17.468 -10.539 1.00 0.00 H new ATOM 614 N LEU A 44 5.724 13.169 -12.529 1.00 0.00 N ATOM 615 CA LEU A 44 5.289 11.900 -13.087 1.00 0.00 C ATOM 616 C LEU A 44 6.184 10.780 -12.552 1.00 0.00 C ATOM 617 O LEU A 44 5.691 9.733 -12.135 1.00 0.00 O ATOM 618 CB LEU A 44 5.243 11.974 -14.614 1.00 0.00 C ATOM 619 CG LEU A 44 3.968 12.564 -15.219 1.00 0.00 C ATOM 620 CD1 LEU A 44 4.276 13.335 -16.504 1.00 0.00 C ATOM 621 CD2 LEU A 44 2.913 11.477 -15.442 1.00 0.00 C ATOM 0 H LEU A 44 5.919 13.894 -13.219 1.00 0.00 H new ATOM 0 HA LEU A 44 4.271 11.674 -12.771 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.091 12.567 -14.955 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.378 10.968 -15.011 1.00 0.00 H new ATOM 0 HG LEU A 44 3.551 13.277 -14.508 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.352 13.744 -16.913 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.967 14.149 -16.283 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.729 12.662 -17.232 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.017 11.923 -15.873 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.306 10.723 -16.123 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.664 11.011 -14.489 1.00 0.00 H new ATOM 633 N GLN A 45 7.483 11.038 -12.582 1.00 0.00 N ATOM 634 CA GLN A 45 8.451 10.065 -12.106 1.00 0.00 C ATOM 635 C GLN A 45 8.209 9.755 -10.627 1.00 0.00 C ATOM 636 O GLN A 45 8.416 8.627 -10.183 1.00 0.00 O ATOM 637 CB GLN A 45 9.881 10.555 -12.336 1.00 0.00 C ATOM 638 CG GLN A 45 10.901 9.514 -11.869 1.00 0.00 C ATOM 639 CD GLN A 45 12.168 9.566 -12.724 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.274 10.319 -13.678 1.00 0.00 O ATOM 641 NE2 GLN A 45 13.121 8.725 -12.331 1.00 0.00 N ATOM 0 H GLN A 45 7.888 11.908 -12.929 1.00 0.00 H new ATOM 0 HA GLN A 45 8.322 9.145 -12.676 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.031 10.766 -13.395 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.039 11.490 -11.799 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.155 9.692 -10.824 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.461 8.518 -11.925 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.967 8.122 -11.523 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.005 8.684 -12.837 1.00 0.00 H new ATOM 650 N THR A 46 7.773 10.778 -9.905 1.00 0.00 N ATOM 651 CA THR A 46 7.501 10.629 -8.486 1.00 0.00 C ATOM 652 C THR A 46 6.256 9.767 -8.269 1.00 0.00 C ATOM 653 O THR A 46 6.180 9.012 -7.300 1.00 0.00 O ATOM 654 CB THR A 46 7.384 12.028 -7.878 1.00 0.00 C ATOM 655 OG1 THR A 46 8.409 12.064 -6.889 1.00 0.00 O ATOM 656 CG2 THR A 46 6.091 12.215 -7.081 1.00 0.00 C ATOM 0 H THR A 46 7.602 11.712 -10.277 1.00 0.00 H new ATOM 0 HA THR A 46 8.313 10.105 -7.981 1.00 0.00 H new ATOM 0 HB THR A 46 7.432 12.773 -8.672 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.405 12.938 -6.446 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.059 13.225 -6.671 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.234 12.062 -7.737 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.058 11.492 -6.266 1.00 0.00 H new ATOM 664 N THR A 47 5.311 9.907 -9.187 1.00 0.00 N ATOM 665 CA THR A 47 4.073 9.150 -9.109 1.00 0.00 C ATOM 666 C THR A 47 4.309 7.697 -9.527 1.00 0.00 C ATOM 667 O THR A 47 3.643 6.789 -9.032 1.00 0.00 O ATOM 668 CB THR A 47 3.026 9.866 -9.964 1.00 0.00 C ATOM 669 OG1 THR A 47 3.374 9.520 -11.302 1.00 0.00 O ATOM 670 CG2 THR A 47 3.177 11.388 -9.922 1.00 0.00 C ATOM 0 H THR A 47 5.378 10.534 -9.989 1.00 0.00 H new ATOM 0 HA THR A 47 3.701 9.104 -8.085 1.00 0.00 H new ATOM 0 HB THR A 47 2.028 9.590 -9.622 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.309 9.762 -11.470 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.410 11.847 -10.545 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.067 11.736 -8.895 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.162 11.666 -10.296 1.00 0.00 H new ATOM 678 N MET A 48 5.258 7.523 -10.435 1.00 0.00 N ATOM 679 CA MET A 48 5.590 6.197 -10.926 1.00 0.00 C ATOM 680 C MET A 48 6.240 5.352 -9.828 1.00 0.00 C ATOM 681 O MET A 48 5.926 4.172 -9.680 1.00 0.00 O ATOM 682 CB MET A 48 6.548 6.316 -12.113 1.00 0.00 C ATOM 683 CG MET A 48 5.974 5.627 -13.352 1.00 0.00 C ATOM 684 SD MET A 48 6.931 4.171 -13.739 1.00 0.00 S ATOM 685 CE MET A 48 5.620 3.052 -14.203 1.00 0.00 C ATOM 0 H MET A 48 5.808 8.279 -10.844 1.00 0.00 H new ATOM 0 HA MET A 48 4.669 5.706 -11.239 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.734 7.368 -12.331 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.508 5.869 -11.856 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.934 5.353 -13.177 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.984 6.314 -14.198 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.046 2.087 -14.477 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.938 2.923 -13.363 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.075 3.462 -15.053 1.00 0.00 H new ATOM 695 N PHE A 49 7.133 5.990 -9.086 1.00 0.00 N ATOM 696 CA PHE A 49 7.830 5.313 -8.005 1.00 0.00 C ATOM 697 C PHE A 49 6.893 5.062 -6.821 1.00 0.00 C ATOM 698 O PHE A 49 7.030 4.063 -6.118 1.00 0.00 O ATOM 699 CB PHE A 49 8.964 6.236 -7.557 1.00 0.00 C ATOM 700 CG PHE A 49 10.324 5.893 -8.170 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.518 6.025 -9.509 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.338 5.457 -7.375 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.780 5.707 -10.078 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.599 5.140 -7.944 1.00 0.00 C ATOM 705 CZ PHE A 49 12.794 5.271 -9.284 1.00 0.00 C ATOM 0 H PHE A 49 7.390 6.969 -9.212 1.00 0.00 H new ATOM 0 HA PHE A 49 8.203 4.348 -8.349 1.00 0.00 H new ATOM 0 HB2 PHE A 49 8.708 7.263 -7.818 1.00 0.00 H new ATOM 0 HB3 PHE A 49 9.045 6.194 -6.471 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.713 6.372 -10.140 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.184 5.352 -6.311 1.00 0.00 H new ATOM 0 HE1 PHE A 49 11.934 5.812 -11.142 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.404 4.795 -7.313 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.753 5.029 -9.717 1.00 0.00 H new ATOM 715 N ILE A 50 5.964 5.988 -6.637 1.00 0.00 N ATOM 716 CA ILE A 50 5.005 5.880 -5.550 1.00 0.00 C ATOM 717 C ILE A 50 4.028 4.742 -5.849 1.00 0.00 C ATOM 718 O ILE A 50 3.557 4.067 -4.935 1.00 0.00 O ATOM 719 CB ILE A 50 4.323 7.227 -5.302 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.462 7.651 -3.839 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.861 7.192 -5.752 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.892 8.101 -3.532 1.00 0.00 C ATOM 0 H ILE A 50 5.855 6.816 -7.222 1.00 0.00 H new ATOM 0 HA ILE A 50 5.512 5.629 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 50 4.828 7.982 -5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.767 8.463 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.191 6.820 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.399 8.161 -5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.814 6.967 -6.818 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.327 6.422 -5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.963 8.397 -2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.581 7.279 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.151 8.948 -4.167 1.00 0.00 H new ATOM 734 N GLY A 51 3.752 4.563 -7.133 1.00 0.00 N ATOM 735 CA GLY A 51 2.839 3.518 -7.563 1.00 0.00 C ATOM 736 C GLY A 51 3.394 2.132 -7.227 1.00 0.00 C ATOM 737 O GLY A 51 2.710 1.319 -6.608 1.00 0.00 O ATOM 0 H GLY A 51 4.145 5.124 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.872 3.653 -7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.672 3.596 -8.637 1.00 0.00 H new ATOM 741 N VAL A 52 4.629 1.907 -7.650 1.00 0.00 N ATOM 742 CA VAL A 52 5.285 0.634 -7.402 1.00 0.00 C ATOM 743 C VAL A 52 5.404 0.412 -5.892 1.00 0.00 C ATOM 744 O VAL A 52 5.091 -0.667 -5.393 1.00 0.00 O ATOM 745 CB VAL A 52 6.634 0.591 -8.121 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.228 -0.819 -8.089 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.506 1.099 -9.558 1.00 0.00 C ATOM 0 H VAL A 52 5.193 2.585 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 52 4.691 -0.186 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 52 7.317 1.255 -7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.187 -0.822 -8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.374 -1.129 -7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.547 -1.512 -8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.480 1.058 -10.047 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.800 0.473 -10.104 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.148 2.128 -9.549 1.00 0.00 H new ATOM 757 N ALA A 53 5.857 1.452 -5.208 1.00 0.00 N ATOM 758 CA ALA A 53 6.022 1.385 -3.766 1.00 0.00 C ATOM 759 C ALA A 53 4.701 0.954 -3.126 1.00 0.00 C ATOM 760 O ALA A 53 4.696 0.238 -2.125 1.00 0.00 O ATOM 761 CB ALA A 53 6.508 2.738 -3.244 1.00 0.00 C ATOM 0 H ALA A 53 6.115 2.346 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 53 6.775 0.643 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.632 2.688 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.463 2.985 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.776 3.507 -3.490 1.00 0.00 H new ATOM 767 N LEU A 54 3.612 1.407 -3.729 1.00 0.00 N ATOM 768 CA LEU A 54 2.288 1.076 -3.231 1.00 0.00 C ATOM 769 C LEU A 54 2.023 -0.415 -3.447 1.00 0.00 C ATOM 770 O LEU A 54 1.318 -1.045 -2.660 1.00 0.00 O ATOM 771 CB LEU A 54 1.234 1.986 -3.866 1.00 0.00 C ATOM 772 CG LEU A 54 0.275 1.316 -4.852 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.915 0.691 -4.121 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.170 2.297 -5.937 1.00 0.00 C ATOM 0 H LEU A 54 3.619 2.001 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 54 2.229 1.258 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.645 2.439 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.747 2.797 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 54 0.808 0.506 -5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.581 0.222 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.556 -0.060 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.457 1.466 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.851 1.795 -6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.679 3.143 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.702 2.653 -6.486 1.00 0.00 H new ATOM 786 N VAL A 55 2.604 -0.937 -4.518 1.00 0.00 N ATOM 787 CA VAL A 55 2.439 -2.343 -4.848 1.00 0.00 C ATOM 788 C VAL A 55 3.213 -3.193 -3.837 1.00 0.00 C ATOM 789 O VAL A 55 2.866 -4.348 -3.599 1.00 0.00 O ATOM 790 CB VAL A 55 2.870 -2.594 -6.294 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.153 -4.079 -6.531 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.820 -2.073 -7.277 1.00 0.00 C ATOM 0 H VAL A 55 3.189 -0.412 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 55 1.390 -2.632 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 55 3.795 -2.044 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.457 -4.231 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.952 -4.408 -5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.252 -4.658 -6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.151 -2.264 -8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.873 -2.583 -7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.687 -1.001 -7.133 1.00 0.00 H new ATOM 802 N GLU A 56 4.246 -2.587 -3.271 1.00 0.00 N ATOM 803 CA GLU A 56 5.071 -3.274 -2.292 1.00 0.00 C ATOM 804 C GLU A 56 4.342 -3.360 -0.949 1.00 0.00 C ATOM 805 O GLU A 56 4.867 -3.920 0.012 1.00 0.00 O ATOM 806 CB GLU A 56 6.427 -2.583 -2.136 1.00 0.00 C ATOM 807 CG GLU A 56 7.268 -2.733 -3.405 1.00 0.00 C ATOM 808 CD GLU A 56 8.763 -2.726 -3.077 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.163 -3.561 -2.238 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.470 -1.885 -3.673 1.00 0.00 O ATOM 0 H GLU A 56 4.531 -1.628 -3.471 1.00 0.00 H new ATOM 0 HA GLU A 56 5.255 -4.287 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.277 -1.526 -1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.962 -3.011 -1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.007 -3.663 -3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.040 -1.921 -4.095 1.00 0.00 H new ATOM 817 N ALA A 57 3.144 -2.795 -0.926 1.00 0.00 N ATOM 818 CA ALA A 57 2.337 -2.800 0.283 1.00 0.00 C ATOM 819 C ALA A 57 1.493 -4.076 0.322 1.00 0.00 C ATOM 820 O ALA A 57 1.048 -4.498 1.388 1.00 0.00 O ATOM 821 CB ALA A 57 1.481 -1.533 0.331 1.00 0.00 C ATOM 0 H ALA A 57 2.712 -2.331 -1.725 1.00 0.00 H new ATOM 0 HA ALA A 57 2.972 -2.798 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.876 -1.537 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.129 -0.656 0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.828 -1.502 -0.541 1.00 0.00 H new ATOM 827 N LEU A 58 1.298 -4.655 -0.854 1.00 0.00 N ATOM 828 CA LEU A 58 0.515 -5.873 -0.968 1.00 0.00 C ATOM 829 C LEU A 58 1.242 -7.010 -0.247 1.00 0.00 C ATOM 830 O LEU A 58 0.660 -7.686 0.600 1.00 0.00 O ATOM 831 CB LEU A 58 0.204 -6.175 -2.435 1.00 0.00 C ATOM 832 CG LEU A 58 -1.238 -6.580 -2.745 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.231 -5.668 -2.022 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.486 -6.615 -4.255 1.00 0.00 C ATOM 0 H LEU A 58 1.669 -4.303 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.452 -5.751 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.448 -5.293 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.865 -6.975 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.397 -7.591 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.249 -5.978 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.072 -5.738 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.080 -4.638 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.519 -6.906 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.303 -5.627 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.813 -7.337 -4.718 1.00 0.00 H new ATOM 846 N PRO A 59 2.538 -7.191 -0.619 1.00 0.00 N ATOM 847 CA PRO A 59 3.350 -8.235 -0.018 1.00 0.00 C ATOM 848 C PRO A 59 3.776 -7.850 1.401 1.00 0.00 C ATOM 849 O PRO A 59 3.866 -8.706 2.280 1.00 0.00 O ATOM 850 CB PRO A 59 4.527 -8.412 -0.963 1.00 0.00 C ATOM 851 CG PRO A 59 4.575 -7.149 -1.809 1.00 0.00 C ATOM 852 CD PRO A 59 3.261 -6.411 -1.619 1.00 0.00 C ATOM 0 HA PRO A 59 2.807 -9.173 0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.456 -8.547 -0.409 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.397 -9.296 -1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.413 -6.520 -1.509 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.724 -7.399 -2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.427 -5.389 -1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.703 -6.350 -2.553 1.00 0.00 H new ATOM 860 N ILE A 60 4.025 -6.561 1.580 1.00 0.00 N ATOM 861 CA ILE A 60 4.439 -6.052 2.876 1.00 0.00 C ATOM 862 C ILE A 60 3.330 -6.312 3.898 1.00 0.00 C ATOM 863 O ILE A 60 3.559 -6.966 4.914 1.00 0.00 O ATOM 864 CB ILE A 60 4.844 -4.581 2.770 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.260 -4.442 2.207 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.691 -3.870 4.116 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.548 -2.996 1.798 1.00 0.00 C ATOM 0 H ILE A 60 3.948 -5.854 0.849 1.00 0.00 H new ATOM 0 HA ILE A 60 5.327 -6.578 3.226 1.00 0.00 H new ATOM 0 HB ILE A 60 4.168 -4.091 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.985 -4.764 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.378 -5.098 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.986 -2.826 4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.651 -3.923 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.327 -4.354 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.561 -2.925 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.836 -2.686 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.453 -2.346 2.668 1.00 0.00 H new ATOM 879 N ILE A 61 2.153 -5.785 3.594 1.00 0.00 N ATOM 880 CA ILE A 61 1.009 -5.952 4.473 1.00 0.00 C ATOM 881 C ILE A 61 0.730 -7.444 4.663 1.00 0.00 C ATOM 882 O ILE A 61 0.373 -7.878 5.757 1.00 0.00 O ATOM 883 CB ILE A 61 -0.192 -5.164 3.946 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.150 -3.680 3.793 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.421 -5.380 4.830 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.851 -2.978 2.873 1.00 0.00 C ATOM 0 H ILE A 61 1.967 -5.242 2.751 1.00 0.00 H new ATOM 0 HA ILE A 61 1.224 -5.540 5.459 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.439 -5.542 2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.148 -3.200 4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.157 -3.575 3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.260 -4.809 4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.678 -6.439 4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.203 -5.046 5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.585 -1.925 2.782 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.829 -3.445 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.853 -3.064 3.293 1.00 0.00 H new ATOM 898 N GLY A 62 0.903 -8.188 3.580 1.00 0.00 N ATOM 899 CA GLY A 62 0.674 -9.622 3.614 1.00 0.00 C ATOM 900 C GLY A 62 1.640 -10.309 4.580 1.00 0.00 C ATOM 901 O GLY A 62 1.294 -11.313 5.201 1.00 0.00 O ATOM 0 H GLY A 62 1.199 -7.824 2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.353 -9.823 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.798 -10.037 2.614 1.00 0.00 H new ATOM 905 N VAL A 63 2.833 -9.741 4.678 1.00 0.00 N ATOM 906 CA VAL A 63 3.852 -10.286 5.559 1.00 0.00 C ATOM 907 C VAL A 63 3.426 -10.080 7.013 1.00 0.00 C ATOM 908 O VAL A 63 3.711 -10.914 7.872 1.00 0.00 O ATOM 909 CB VAL A 63 5.210 -9.658 5.239 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.213 -9.920 6.365 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.746 -10.163 3.898 1.00 0.00 C ATOM 0 H VAL A 63 3.117 -8.908 4.162 1.00 0.00 H new ATOM 0 HA VAL A 63 3.960 -11.359 5.401 1.00 0.00 H new ATOM 0 HB VAL A 63 5.070 -8.580 5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.170 -9.463 6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.838 -9.489 7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.346 -10.994 6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.712 -9.701 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.863 -11.246 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.045 -9.902 3.105 1.00 0.00 H new ATOM 921 N VAL A 64 2.749 -8.966 7.246 1.00 0.00 N ATOM 922 CA VAL A 64 2.280 -8.640 8.583 1.00 0.00 C ATOM 923 C VAL A 64 1.257 -9.686 9.029 1.00 0.00 C ATOM 924 O VAL A 64 1.409 -10.297 10.085 1.00 0.00 O ATOM 925 CB VAL A 64 1.727 -7.214 8.610 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.728 -7.035 9.755 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.859 -6.189 8.705 1.00 0.00 C ATOM 0 H VAL A 64 2.514 -8.277 6.532 1.00 0.00 H new ATOM 0 HA VAL A 64 3.105 -8.668 9.295 1.00 0.00 H new ATOM 0 HB VAL A 64 1.197 -7.042 7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.350 -6.013 9.752 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.102 -7.729 9.625 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.224 -7.235 10.705 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.439 -5.183 8.723 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.429 -6.360 9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.517 -6.292 7.842 1.00 0.00 H new ATOM 937 N PHE A 65 0.237 -9.861 8.201 1.00 0.00 N ATOM 938 CA PHE A 65 -0.811 -10.823 8.497 1.00 0.00 C ATOM 939 C PHE A 65 -0.217 -12.178 8.885 1.00 0.00 C ATOM 940 O PHE A 65 -0.679 -12.814 9.832 1.00 0.00 O ATOM 941 CB PHE A 65 -1.639 -10.989 7.221 1.00 0.00 C ATOM 942 CG PHE A 65 -1.821 -12.443 6.783 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.526 -13.306 7.564 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.279 -12.874 5.612 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.695 -14.656 7.157 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.449 -14.224 5.205 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.153 -15.086 5.986 1.00 0.00 C ATOM 0 H PHE A 65 0.114 -9.353 7.325 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.416 -10.469 9.332 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.621 -10.541 7.376 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.160 -10.434 6.414 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.957 -12.964 8.493 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.719 -12.189 4.992 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.254 -15.341 7.777 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.019 -14.566 4.275 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.282 -16.113 5.676 1.00 0.00 H new ATOM 957 N SER A 66 0.798 -12.581 8.135 1.00 0.00 N ATOM 958 CA SER A 66 1.459 -13.849 8.389 1.00 0.00 C ATOM 959 C SER A 66 2.204 -13.793 9.724 1.00 0.00 C ATOM 960 O SER A 66 2.066 -14.689 10.555 1.00 0.00 O ATOM 961 CB SER A 66 2.425 -14.203 7.257 1.00 0.00 C ATOM 962 OG SER A 66 3.697 -13.583 7.426 1.00 0.00 O ATOM 0 H SER A 66 1.179 -12.051 7.351 1.00 0.00 H new ATOM 0 HA SER A 66 0.698 -14.627 8.438 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.552 -15.285 7.214 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.995 -13.894 6.304 1.00 0.00 H new ATOM 0 HG SER A 66 3.588 -12.609 7.435 1.00 0.00 H new ATOM 968 N PHE A 67 2.978 -12.730 9.889 1.00 0.00 N ATOM 969 CA PHE A 67 3.745 -12.545 11.109 1.00 0.00 C ATOM 970 C PHE A 67 2.846 -12.648 12.343 1.00 0.00 C ATOM 971 O PHE A 67 3.270 -13.147 13.384 1.00 0.00 O ATOM 972 CB PHE A 67 4.350 -11.141 11.049 1.00 0.00 C ATOM 973 CG PHE A 67 5.860 -11.124 10.804 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.714 -11.482 11.800 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.349 -10.750 9.592 1.00 0.00 C ATOM 976 CE1 PHE A 67 8.116 -11.466 11.574 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.750 -10.734 9.365 1.00 0.00 C ATOM 978 CZ PHE A 67 8.604 -11.092 10.361 1.00 0.00 C ATOM 0 H PHE A 67 3.090 -11.988 9.198 1.00 0.00 H new ATOM 0 HA PHE A 67 4.512 -13.315 11.186 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.857 -10.578 10.256 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.138 -10.625 11.986 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.326 -11.779 12.763 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.671 -10.465 8.801 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.794 -11.751 12.365 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.138 -10.438 8.402 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.670 -11.079 10.189 1.00 0.00 H new ATOM 988 N ILE A 68 1.622 -12.167 12.185 1.00 0.00 N ATOM 989 CA ILE A 68 0.659 -12.199 13.273 1.00 0.00 C ATOM 990 C ILE A 68 0.403 -13.651 13.679 1.00 0.00 C ATOM 991 O ILE A 68 0.477 -13.992 14.859 1.00 0.00 O ATOM 992 CB ILE A 68 -0.609 -11.435 12.888 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.610 -10.031 13.497 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.863 -12.226 13.269 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.758 -9.365 13.341 1.00 0.00 C ATOM 0 H ILE A 68 1.275 -11.753 11.320 1.00 0.00 H new ATOM 0 HA ILE A 68 1.057 -11.688 14.150 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.620 -11.316 11.805 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.373 -9.421 13.013 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.872 -10.089 14.553 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.750 -11.661 12.984 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.861 -13.184 12.749 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.872 -12.398 14.345 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.730 -8.369 13.782 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.514 -9.965 13.847 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.006 -9.286 12.282 1.00 0.00 H new ATOM 1007 N TYR A 69 0.106 -14.468 12.679 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.162 -15.877 12.918 1.00 0.00 C ATOM 1009 C TYR A 69 0.908 -16.493 13.822 1.00 0.00 C ATOM 1010 O TYR A 69 0.586 -17.165 14.801 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.106 -16.554 11.548 1.00 0.00 C ATOM 1012 CG TYR A 69 -0.913 -17.852 11.462 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -0.802 -18.801 12.457 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -1.753 -18.072 10.389 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -1.561 -20.021 12.377 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -2.513 -19.293 10.308 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.379 -20.207 11.306 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.097 -21.360 11.230 1.00 0.00 O ATOM 0 H TYR A 69 0.045 -14.182 11.702 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.126 -16.007 13.410 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.475 -15.858 10.795 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.934 -16.768 11.302 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.145 -18.628 13.297 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.840 -17.329 9.610 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.483 -20.772 13.149 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.174 -19.478 9.474 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.638 -21.355 10.413 1.00 0.00 H new ATOM 1028 N LEU A 70 2.158 -16.241 13.462 1.00 0.00 N ATOM 1029 CA LEU A 70 3.277 -16.763 14.228 1.00 0.00 C ATOM 1030 C LEU A 70 3.051 -16.474 15.714 1.00 0.00 C ATOM 1031 O LEU A 70 3.592 -17.167 16.574 1.00 0.00 O ATOM 1032 CB LEU A 70 4.599 -16.213 13.689 1.00 0.00 C ATOM 1033 CG LEU A 70 5.166 -16.919 12.456 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.371 -18.411 12.725 1.00 0.00 C ATOM 1035 CD2 LEU A 70 4.284 -16.674 11.230 1.00 0.00 C ATOM 0 H LEU A 70 2.421 -15.682 12.650 1.00 0.00 H new ATOM 0 HA LEU A 70 3.341 -17.846 14.119 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.460 -15.159 13.448 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.342 -16.262 14.485 1.00 0.00 H new ATOM 0 HG LEU A 70 6.145 -16.493 12.239 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.775 -18.889 11.833 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.069 -18.539 13.553 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.416 -18.869 12.982 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.709 -17.187 10.367 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.281 -17.056 11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.232 -15.604 11.027 1.00 0.00 H new ATOM 1047 N GLY A 71 2.250 -15.449 15.969 1.00 0.00 N ATOM 1048 CA GLY A 71 1.946 -15.060 17.336 1.00 0.00 C ATOM 1049 C GLY A 71 2.495 -13.665 17.643 1.00 0.00 C ATOM 1050 O GLY A 71 2.674 -13.307 18.806 1.00 0.00 O ATOM 0 H GLY A 71 1.803 -14.877 15.253 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.867 -15.072 17.490 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.375 -15.784 18.028 1.00 0.00 H new ATOM 1054 N ARG A 72 2.745 -12.915 16.580 1.00 0.00 N ATOM 1055 CA ARG A 72 3.269 -11.567 16.722 1.00 0.00 C ATOM 1056 C ARG A 72 2.215 -10.541 16.302 1.00 0.00 C ATOM 1057 O ARG A 72 1.022 -10.746 16.519 1.00 0.00 O ATOM 1058 CB ARG A 72 4.527 -11.373 15.873 1.00 0.00 C ATOM 1059 CG ARG A 72 4.962 -9.906 15.864 1.00 0.00 C ATOM 1060 CD ARG A 72 4.500 -9.206 14.584 1.00 0.00 C ATOM 1061 NE ARG A 72 5.167 -7.890 14.459 1.00 0.00 N ATOM 1062 CZ ARG A 72 4.806 -6.946 13.579 1.00 0.00 C ATOM 1063 NH1 ARG A 72 3.784 -7.166 12.741 1.00 0.00 N ATOM 1064 NH2 ARG A 72 5.468 -5.782 13.536 1.00 0.00 N ATOM 0 H ARG A 72 2.595 -13.215 15.617 1.00 0.00 H new ATOM 0 HA ARG A 72 3.526 -11.420 17.771 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.334 -11.993 16.265 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.336 -11.706 14.853 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.547 -9.394 16.733 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.047 -9.844 15.946 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.732 -9.825 13.717 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.418 -9.075 14.601 1.00 0.00 H new ATOM 0 HE ARG A 72 5.950 -7.689 15.081 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.280 -8.052 12.773 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.510 -6.447 12.071 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.247 -5.614 14.173 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.193 -5.063 12.866 1.00 0.00 H new