USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.00732 (180deg=0) USER MOD Single : A 2 SER OG : rot 57:sc= 0.53 USER MOD Single : A 23 ASN : amide:sc= -0.065 X(o=-0.065,f=0) USER MOD Single : A 28 SER OG : rot -21:sc= -0.851 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.99) USER MOD Single : A 45 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.5!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -63:sc= 0.431 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 82:sc= 1.2 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.787 -11.389 25.031 1.00 0.00 N ATOM 2 CA MET A 1 -4.248 -12.413 24.152 1.00 0.00 C ATOM 3 C MET A 1 -5.155 -13.645 24.126 1.00 0.00 C ATOM 4 O MET A 1 -5.750 -14.003 25.141 1.00 0.00 O ATOM 5 CB MET A 1 -2.852 -12.815 24.632 1.00 0.00 C ATOM 6 CG MET A 1 -1.775 -12.313 23.667 1.00 0.00 C ATOM 7 SD MET A 1 -0.823 -11.015 24.438 1.00 0.00 S ATOM 8 CE MET A 1 -1.405 -9.609 23.506 1.00 0.00 C ATOM 0 H1 MET A 1 -4.020 -10.760 25.342 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.504 -10.835 24.520 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.224 -11.839 25.861 1.00 0.00 H new ATOM 0 HA MET A 1 -4.191 -12.006 23.142 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.674 -12.406 25.626 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.791 -13.900 24.718 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.119 -13.135 23.381 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.238 -11.942 22.753 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.908 -8.706 23.861 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.181 -9.755 22.449 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.482 -9.506 23.637 1.00 0.00 H new ATOM 18 N SER A 2 -5.230 -14.260 22.955 1.00 0.00 N ATOM 19 CA SER A 2 -6.054 -15.445 22.784 1.00 0.00 C ATOM 20 C SER A 2 -5.930 -15.965 21.351 1.00 0.00 C ATOM 21 O SER A 2 -5.085 -15.499 20.588 1.00 0.00 O ATOM 22 CB SER A 2 -7.518 -15.151 23.117 1.00 0.00 C ATOM 23 OG SER A 2 -7.885 -15.657 24.398 1.00 0.00 O ATOM 0 H SER A 2 -4.734 -13.960 22.116 1.00 0.00 H new ATOM 0 HA SER A 2 -5.700 -16.211 23.474 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.687 -14.075 23.090 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.159 -15.593 22.355 1.00 0.00 H new ATOM 0 HG SER A 2 -7.294 -15.277 25.081 1.00 0.00 H new ATOM 29 N LEU A 3 -6.785 -16.925 21.027 1.00 0.00 N ATOM 30 CA LEU A 3 -6.782 -17.514 19.699 1.00 0.00 C ATOM 31 C LEU A 3 -7.691 -16.694 18.781 1.00 0.00 C ATOM 32 O LEU A 3 -7.369 -16.481 17.613 1.00 0.00 O ATOM 33 CB LEU A 3 -7.154 -18.996 19.769 1.00 0.00 C ATOM 34 CG LEU A 3 -5.986 -19.983 19.733 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.582 -20.407 21.147 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.311 -21.185 18.845 1.00 0.00 C ATOM 0 H LEU A 3 -7.485 -17.309 21.662 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.781 -17.481 19.270 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.719 -19.165 20.686 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.821 -19.222 18.937 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.127 -19.479 19.290 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.750 -21.109 21.093 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.280 -19.529 21.718 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.429 -20.886 21.639 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.464 -21.871 18.837 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.190 -21.698 19.235 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.511 -20.844 17.829 1.00 0.00 H new ATOM 48 N GLY A 4 -8.808 -16.258 19.343 1.00 0.00 N ATOM 49 CA GLY A 4 -9.766 -15.466 18.590 1.00 0.00 C ATOM 50 C GLY A 4 -9.151 -14.138 18.146 1.00 0.00 C ATOM 51 O GLY A 4 -9.203 -13.788 16.967 1.00 0.00 O ATOM 0 H GLY A 4 -9.072 -16.438 20.312 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.100 -16.026 17.717 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.647 -15.276 19.203 1.00 0.00 H new ATOM 55 N VAL A 5 -8.583 -13.433 19.113 1.00 0.00 N ATOM 56 CA VAL A 5 -7.958 -12.150 18.837 1.00 0.00 C ATOM 57 C VAL A 5 -6.898 -12.328 17.748 1.00 0.00 C ATOM 58 O VAL A 5 -6.668 -11.423 16.947 1.00 0.00 O ATOM 59 CB VAL A 5 -7.395 -11.553 20.128 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.237 -12.399 20.663 1.00 0.00 C ATOM 61 CG2 VAL A 5 -6.962 -10.101 19.918 1.00 0.00 C ATOM 0 H VAL A 5 -8.542 -13.726 20.089 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.694 -11.440 18.461 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.189 -11.560 20.875 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.855 -11.953 21.581 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.590 -13.409 20.870 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.441 -12.438 19.920 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.566 -9.701 20.851 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.191 -10.059 19.149 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.820 -9.507 19.604 1.00 0.00 H new ATOM 71 N LEU A 6 -6.281 -13.500 17.754 1.00 0.00 N ATOM 72 CA LEU A 6 -5.250 -13.808 16.777 1.00 0.00 C ATOM 73 C LEU A 6 -5.844 -13.715 15.370 1.00 0.00 C ATOM 74 O LEU A 6 -5.309 -13.017 14.511 1.00 0.00 O ATOM 75 CB LEU A 6 -4.607 -15.161 17.085 1.00 0.00 C ATOM 76 CG LEU A 6 -3.321 -15.482 16.319 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.947 -16.958 16.471 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.440 -15.069 14.851 1.00 0.00 C ATOM 0 H LEU A 6 -6.475 -14.248 18.420 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.442 -13.078 16.832 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.391 -15.204 18.153 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.336 -15.944 16.876 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.510 -14.898 16.753 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.030 -17.160 15.917 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.792 -17.187 17.525 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.752 -17.580 16.079 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.513 -15.308 14.330 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.266 -15.608 14.387 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.625 -13.997 14.789 1.00 0.00 H new ATOM 90 N ALA A 7 -6.943 -14.431 15.177 1.00 0.00 N ATOM 91 CA ALA A 7 -7.615 -14.438 13.889 1.00 0.00 C ATOM 92 C ALA A 7 -7.921 -12.999 13.470 1.00 0.00 C ATOM 93 O ALA A 7 -7.936 -12.685 12.281 1.00 0.00 O ATOM 94 CB ALA A 7 -8.875 -15.301 13.976 1.00 0.00 C ATOM 0 H ALA A 7 -7.384 -15.010 15.891 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.973 -14.874 13.123 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.380 -15.307 13.010 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.600 -16.320 14.248 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.545 -14.892 14.733 1.00 0.00 H new ATOM 100 N ALA A 8 -8.159 -12.163 14.470 1.00 0.00 N ATOM 101 CA ALA A 8 -8.464 -10.765 14.221 1.00 0.00 C ATOM 102 C ALA A 8 -7.219 -10.066 13.671 1.00 0.00 C ATOM 103 O ALA A 8 -7.326 -9.123 12.888 1.00 0.00 O ATOM 104 CB ALA A 8 -8.977 -10.116 15.508 1.00 0.00 C ATOM 0 H ALA A 8 -8.147 -12.428 15.455 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.252 -10.672 13.473 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.206 -9.067 15.320 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.879 -10.630 15.840 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.212 -10.188 16.282 1.00 0.00 H new ATOM 110 N ALA A 9 -6.066 -10.554 14.104 1.00 0.00 N ATOM 111 CA ALA A 9 -4.801 -9.988 13.665 1.00 0.00 C ATOM 112 C ALA A 9 -4.554 -10.373 12.205 1.00 0.00 C ATOM 113 O ALA A 9 -3.909 -9.633 11.465 1.00 0.00 O ATOM 114 CB ALA A 9 -3.680 -10.463 14.592 1.00 0.00 C ATOM 0 H ALA A 9 -5.981 -11.335 14.754 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.828 -8.900 13.718 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.731 -10.039 14.263 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.889 -10.138 15.611 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.620 -11.551 14.563 1.00 0.00 H new ATOM 120 N ILE A 10 -5.081 -11.531 11.835 1.00 0.00 N ATOM 121 CA ILE A 10 -4.926 -12.024 10.477 1.00 0.00 C ATOM 122 C ILE A 10 -5.920 -11.306 9.562 1.00 0.00 C ATOM 123 O ILE A 10 -5.538 -10.769 8.524 1.00 0.00 O ATOM 124 CB ILE A 10 -5.047 -13.548 10.442 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.674 -14.211 10.571 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.792 -14.011 9.188 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.608 -15.098 11.816 1.00 0.00 C ATOM 0 H ILE A 10 -5.616 -12.142 12.452 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.927 -11.799 10.102 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.638 -13.863 11.302 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.470 -14.809 9.683 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.900 -13.445 10.624 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.864 -15.099 9.188 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.794 -13.581 9.180 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.250 -13.684 8.301 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.622 -15.557 11.884 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.788 -14.492 12.704 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.367 -15.877 11.748 1.00 0.00 H new ATOM 139 N ALA A 11 -7.177 -11.321 9.980 1.00 0.00 N ATOM 140 CA ALA A 11 -8.230 -10.679 9.212 1.00 0.00 C ATOM 141 C ALA A 11 -7.899 -9.195 9.043 1.00 0.00 C ATOM 142 O ALA A 11 -8.386 -8.548 8.117 1.00 0.00 O ATOM 143 CB ALA A 11 -9.576 -10.902 9.903 1.00 0.00 C ATOM 0 H ALA A 11 -7.490 -11.768 10.842 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.300 -11.117 8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.365 -10.420 9.326 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.777 -11.971 9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.546 -10.474 10.905 1.00 0.00 H new ATOM 149 N VAL A 12 -7.074 -8.698 9.953 1.00 0.00 N ATOM 150 CA VAL A 12 -6.672 -7.302 9.917 1.00 0.00 C ATOM 151 C VAL A 12 -5.605 -7.111 8.837 1.00 0.00 C ATOM 152 O VAL A 12 -5.660 -6.152 8.069 1.00 0.00 O ATOM 153 CB VAL A 12 -6.206 -6.856 11.304 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.005 -5.913 11.202 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.350 -6.204 12.083 1.00 0.00 C ATOM 0 H VAL A 12 -6.673 -9.237 10.720 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.518 -6.667 9.654 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.890 -7.743 11.853 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.694 -5.611 12.202 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.181 -6.425 10.705 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.283 -5.030 10.626 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.992 -5.896 13.065 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.710 -5.331 11.538 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.164 -6.919 12.201 1.00 0.00 H new ATOM 165 N GLY A 13 -4.660 -8.038 8.813 1.00 0.00 N ATOM 166 CA GLY A 13 -3.582 -7.984 7.841 1.00 0.00 C ATOM 167 C GLY A 13 -4.110 -8.214 6.423 1.00 0.00 C ATOM 168 O GLY A 13 -3.586 -7.652 5.463 1.00 0.00 O ATOM 0 H GLY A 13 -4.618 -8.832 9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.087 -7.015 7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.833 -8.739 8.081 1.00 0.00 H new ATOM 172 N LEU A 14 -5.141 -9.041 6.338 1.00 0.00 N ATOM 173 CA LEU A 14 -5.746 -9.353 5.054 1.00 0.00 C ATOM 174 C LEU A 14 -6.586 -8.162 4.588 1.00 0.00 C ATOM 175 O LEU A 14 -6.599 -7.832 3.403 1.00 0.00 O ATOM 176 CB LEU A 14 -6.531 -10.664 5.135 1.00 0.00 C ATOM 177 CG LEU A 14 -8.022 -10.534 5.449 1.00 0.00 C ATOM 178 CD1 LEU A 14 -8.773 -9.882 4.286 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.622 -11.890 5.831 1.00 0.00 C ATOM 0 H LEU A 14 -5.573 -9.505 7.137 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.976 -9.516 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.424 -11.188 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.073 -11.292 5.899 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.133 -9.878 6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.831 -9.802 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.367 -8.887 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.657 -10.492 3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.683 -11.770 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.499 -12.589 5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.112 -12.278 6.713 1.00 0.00 H new ATOM 191 N GLY A 15 -7.266 -7.548 5.545 1.00 0.00 N ATOM 192 CA GLY A 15 -8.106 -6.400 5.248 1.00 0.00 C ATOM 193 C GLY A 15 -7.259 -5.179 4.887 1.00 0.00 C ATOM 194 O GLY A 15 -7.560 -4.472 3.926 1.00 0.00 O ATOM 0 H GLY A 15 -7.252 -7.824 6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.776 -6.639 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.732 -6.170 6.110 1.00 0.00 H new ATOM 198 N ALA A 16 -6.215 -4.968 5.675 1.00 0.00 N ATOM 199 CA ALA A 16 -5.322 -3.845 5.451 1.00 0.00 C ATOM 200 C ALA A 16 -4.474 -4.114 4.206 1.00 0.00 C ATOM 201 O ALA A 16 -3.886 -3.194 3.640 1.00 0.00 O ATOM 202 CB ALA A 16 -4.469 -3.613 6.699 1.00 0.00 C ATOM 0 H ALA A 16 -5.968 -5.557 6.470 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.891 -2.933 5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.799 -2.770 6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.118 -3.397 7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.882 -4.507 6.910 1.00 0.00 H new ATOM 208 N LEU A 17 -4.436 -5.380 3.818 1.00 0.00 N ATOM 209 CA LEU A 17 -3.669 -5.783 2.651 1.00 0.00 C ATOM 210 C LEU A 17 -4.338 -5.230 1.391 1.00 0.00 C ATOM 211 O LEU A 17 -3.721 -4.482 0.634 1.00 0.00 O ATOM 212 CB LEU A 17 -3.481 -7.301 2.631 1.00 0.00 C ATOM 213 CG LEU A 17 -3.156 -7.919 1.270 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.752 -8.527 1.264 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.223 -8.936 0.860 1.00 0.00 C ATOM 0 H LEU A 17 -4.924 -6.141 4.291 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.665 -5.361 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.680 -7.557 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.392 -7.765 3.010 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.165 -7.124 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.547 -8.959 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.018 -7.750 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.689 -9.305 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.967 -9.360 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.271 -9.733 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.192 -8.441 0.796 1.00 0.00 H new ATOM 227 N GLY A 18 -5.591 -5.619 1.205 1.00 0.00 N ATOM 228 CA GLY A 18 -6.350 -5.171 0.050 1.00 0.00 C ATOM 229 C GLY A 18 -6.814 -3.724 0.226 1.00 0.00 C ATOM 230 O GLY A 18 -6.964 -2.993 -0.752 1.00 0.00 O ATOM 0 H GLY A 18 -6.099 -6.240 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.736 -5.253 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.215 -5.819 -0.095 1.00 0.00 H new ATOM 234 N ALA A 19 -7.028 -3.353 1.480 1.00 0.00 N ATOM 235 CA ALA A 19 -7.472 -2.006 1.796 1.00 0.00 C ATOM 236 C ALA A 19 -6.332 -1.022 1.527 1.00 0.00 C ATOM 237 O ALA A 19 -6.518 -0.028 0.827 1.00 0.00 O ATOM 238 CB ALA A 19 -7.955 -1.956 3.247 1.00 0.00 C ATOM 0 H ALA A 19 -6.902 -3.962 2.289 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.311 -1.719 1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.288 -0.946 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.783 -2.652 3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.138 -2.235 3.912 1.00 0.00 H new ATOM 244 N GLY A 20 -5.177 -1.333 2.098 1.00 0.00 N ATOM 245 CA GLY A 20 -4.007 -0.488 1.928 1.00 0.00 C ATOM 246 C GLY A 20 -3.726 -0.232 0.447 1.00 0.00 C ATOM 247 O GLY A 20 -3.567 0.915 0.030 1.00 0.00 O ATOM 0 H GLY A 20 -5.027 -2.158 2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.162 0.461 2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.141 -0.963 2.389 1.00 0.00 H new ATOM 251 N ILE A 21 -3.673 -1.319 -0.309 1.00 0.00 N ATOM 252 CA ILE A 21 -3.413 -1.227 -1.736 1.00 0.00 C ATOM 253 C ILE A 21 -4.366 -0.203 -2.358 1.00 0.00 C ATOM 254 O ILE A 21 -4.005 0.488 -3.309 1.00 0.00 O ATOM 255 CB ILE A 21 -3.488 -2.610 -2.385 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.328 -2.823 -3.359 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.846 -2.829 -3.055 1.00 0.00 C ATOM 258 CD1 ILE A 21 -2.389 -1.819 -4.512 1.00 0.00 C ATOM 0 H ILE A 21 -3.806 -2.268 0.040 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.399 -0.871 -1.916 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.391 -3.360 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.381 -2.718 -2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.362 -3.838 -3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.872 -3.820 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.637 -2.750 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.998 -2.073 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.553 -1.992 -5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.327 -1.943 -5.053 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.330 -0.805 -4.115 1.00 0.00 H new ATOM 270 N GLY A 22 -5.563 -0.139 -1.795 1.00 0.00 N ATOM 271 CA GLY A 22 -6.570 0.789 -2.282 1.00 0.00 C ATOM 272 C GLY A 22 -6.217 2.229 -1.907 1.00 0.00 C ATOM 273 O GLY A 22 -6.537 3.163 -2.641 1.00 0.00 O ATOM 0 H GLY A 22 -5.859 -0.714 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.656 0.702 -3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.542 0.529 -1.863 1.00 0.00 H new ATOM 277 N ASN A 23 -5.562 2.365 -0.763 1.00 0.00 N ATOM 278 CA ASN A 23 -5.161 3.676 -0.281 1.00 0.00 C ATOM 279 C ASN A 23 -3.922 4.140 -1.049 1.00 0.00 C ATOM 280 O ASN A 23 -3.710 5.339 -1.225 1.00 0.00 O ATOM 281 CB ASN A 23 -4.806 3.630 1.207 1.00 0.00 C ATOM 282 CG ASN A 23 -4.473 5.028 1.733 1.00 0.00 C ATOM 283 OD1 ASN A 23 -3.384 5.294 2.216 1.00 0.00 O ATOM 284 ND2 ASN A 23 -5.468 5.902 1.615 1.00 0.00 N ATOM 0 H ASN A 23 -5.299 1.589 -0.156 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.995 4.361 -0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.641 3.214 1.771 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.955 2.967 1.361 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.345 6.861 1.939 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.354 5.613 1.201 1.00 0.00 H new ATOM 291 N GLY A 24 -3.136 3.167 -1.485 1.00 0.00 N ATOM 292 CA GLY A 24 -1.924 3.461 -2.230 1.00 0.00 C ATOM 293 C GLY A 24 -2.248 3.851 -3.673 1.00 0.00 C ATOM 294 O GLY A 24 -1.614 4.742 -4.236 1.00 0.00 O ATOM 0 H GLY A 24 -3.315 2.174 -1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.382 4.272 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.269 2.590 -2.223 1.00 0.00 H new ATOM 298 N LEU A 25 -3.234 3.165 -4.231 1.00 0.00 N ATOM 299 CA LEU A 25 -3.650 3.428 -5.597 1.00 0.00 C ATOM 300 C LEU A 25 -4.451 4.732 -5.640 1.00 0.00 C ATOM 301 O LEU A 25 -4.395 5.467 -6.625 1.00 0.00 O ATOM 302 CB LEU A 25 -4.403 2.226 -6.170 1.00 0.00 C ATOM 303 CG LEU A 25 -5.642 1.778 -5.393 1.00 0.00 C ATOM 304 CD1 LEU A 25 -6.858 2.632 -5.759 1.00 0.00 C ATOM 305 CD2 LEU A 25 -5.908 0.285 -5.597 1.00 0.00 C ATOM 0 H LEU A 25 -3.757 2.426 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.780 3.565 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.705 2.464 -7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.712 1.385 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.451 1.929 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.725 2.292 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.655 3.676 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.062 2.537 -6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.794 -0.007 -5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.069 0.086 -6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.050 -0.289 -5.246 1.00 0.00 H new ATOM 317 N ILE A 26 -5.177 4.978 -4.560 1.00 0.00 N ATOM 318 CA ILE A 26 -5.988 6.180 -4.461 1.00 0.00 C ATOM 319 C ILE A 26 -5.072 7.403 -4.386 1.00 0.00 C ATOM 320 O ILE A 26 -5.316 8.408 -5.053 1.00 0.00 O ATOM 321 CB ILE A 26 -6.966 6.072 -3.290 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.326 5.548 -3.758 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.090 7.407 -2.553 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.931 6.466 -4.822 1.00 0.00 C ATOM 0 H ILE A 26 -5.221 4.366 -3.745 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.605 6.297 -5.352 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.568 5.348 -2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.213 4.542 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.004 5.475 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.791 7.302 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.114 7.701 -2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.453 8.170 -3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.897 6.071 -5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.066 7.465 -4.407 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.262 6.517 -5.681 1.00 0.00 H new ATOM 336 N VAL A 27 -4.037 7.278 -3.569 1.00 0.00 N ATOM 337 CA VAL A 27 -3.083 8.361 -3.398 1.00 0.00 C ATOM 338 C VAL A 27 -2.244 8.501 -4.669 1.00 0.00 C ATOM 339 O VAL A 27 -1.994 9.613 -5.133 1.00 0.00 O ATOM 340 CB VAL A 27 -2.237 8.120 -2.146 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.375 6.866 -2.300 1.00 0.00 C ATOM 342 CG2 VAL A 27 -1.374 9.342 -1.825 1.00 0.00 C ATOM 0 H VAL A 27 -3.838 6.443 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.602 9.307 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.916 7.959 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.784 6.718 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.018 6.000 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.709 6.985 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.782 9.145 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.708 9.547 -2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.016 10.206 -1.652 1.00 0.00 H new ATOM 352 N SER A 28 -1.831 7.358 -5.197 1.00 0.00 N ATOM 353 CA SER A 28 -1.026 7.340 -6.406 1.00 0.00 C ATOM 354 C SER A 28 -1.813 7.946 -7.569 1.00 0.00 C ATOM 355 O SER A 28 -1.228 8.522 -8.486 1.00 0.00 O ATOM 356 CB SER A 28 -0.582 5.916 -6.750 1.00 0.00 C ATOM 357 OG SER A 28 -1.654 5.133 -7.267 1.00 0.00 O ATOM 0 H SER A 28 -2.039 6.438 -4.809 1.00 0.00 H new ATOM 0 HA SER A 28 -0.132 7.939 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.225 5.955 -7.482 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.180 5.436 -5.858 1.00 0.00 H new ATOM 0 HG SER A 28 -2.509 5.526 -6.991 1.00 0.00 H new ATOM 363 N ARG A 29 -3.127 7.796 -7.494 1.00 0.00 N ATOM 364 CA ARG A 29 -4.000 8.322 -8.530 1.00 0.00 C ATOM 365 C ARG A 29 -3.989 9.852 -8.507 1.00 0.00 C ATOM 366 O ARG A 29 -3.862 10.491 -9.551 1.00 0.00 O ATOM 367 CB ARG A 29 -5.436 7.827 -8.343 1.00 0.00 C ATOM 368 CG ARG A 29 -5.937 7.112 -9.599 1.00 0.00 C ATOM 369 CD ARG A 29 -6.623 8.092 -10.552 1.00 0.00 C ATOM 370 NE ARG A 29 -8.018 7.663 -10.802 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.859 8.291 -11.635 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.453 9.379 -12.303 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.106 7.830 -11.800 1.00 0.00 N ATOM 0 H ARG A 29 -3.608 7.318 -6.732 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.627 7.967 -9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.483 7.149 -7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.088 8.670 -8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.100 6.632 -10.106 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.635 6.323 -9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.613 9.095 -10.125 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.075 8.141 -11.493 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.360 6.838 -10.309 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.503 9.730 -12.178 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.093 9.857 -12.937 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.415 7.001 -11.292 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.747 8.308 -12.434 1.00 0.00 H new ATOM 387 N THR A 30 -4.123 10.395 -7.306 1.00 0.00 N ATOM 388 CA THR A 30 -4.130 11.838 -7.134 1.00 0.00 C ATOM 389 C THR A 30 -2.727 12.408 -7.357 1.00 0.00 C ATOM 390 O THR A 30 -2.579 13.568 -7.741 1.00 0.00 O ATOM 391 CB THR A 30 -4.697 12.146 -5.747 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.321 13.418 -5.902 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.602 12.392 -4.707 1.00 0.00 C ATOM 0 H THR A 30 -4.228 9.862 -6.443 1.00 0.00 H new ATOM 0 HA THR A 30 -4.766 12.322 -7.876 1.00 0.00 H new ATOM 0 HB THR A 30 -5.327 11.318 -5.421 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.717 13.694 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.059 12.606 -3.741 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.974 11.505 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.991 13.241 -5.015 1.00 0.00 H new ATOM 401 N ILE A 31 -1.735 11.567 -7.107 1.00 0.00 N ATOM 402 CA ILE A 31 -0.350 11.973 -7.275 1.00 0.00 C ATOM 403 C ILE A 31 -0.042 12.113 -8.768 1.00 0.00 C ATOM 404 O ILE A 31 0.643 13.048 -9.179 1.00 0.00 O ATOM 405 CB ILE A 31 0.584 11.008 -6.543 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.550 11.766 -5.629 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.322 10.103 -7.531 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.358 12.796 -6.420 1.00 0.00 C ATOM 0 H ILE A 31 -1.862 10.606 -6.789 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.181 12.949 -6.821 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.023 10.363 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.991 12.266 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.226 11.062 -5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.979 9.427 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.598 9.522 -8.103 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.915 10.714 -8.211 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.037 13.321 -5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.934 12.290 -7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.680 13.513 -6.883 1.00 0.00 H new ATOM 420 N GLU A 32 -0.563 11.169 -9.538 1.00 0.00 N ATOM 421 CA GLU A 32 -0.352 11.175 -10.975 1.00 0.00 C ATOM 422 C GLU A 32 -1.087 12.355 -11.614 1.00 0.00 C ATOM 423 O GLU A 32 -0.640 12.896 -12.625 1.00 0.00 O ATOM 424 CB GLU A 32 -0.795 9.851 -11.600 1.00 0.00 C ATOM 425 CG GLU A 32 0.413 9.024 -12.047 1.00 0.00 C ATOM 426 CD GLU A 32 0.560 9.047 -13.570 1.00 0.00 C ATOM 427 OE1 GLU A 32 0.562 10.168 -14.123 1.00 0.00 O ATOM 428 OE2 GLU A 32 0.666 7.943 -14.147 1.00 0.00 O ATOM 0 H GLU A 32 -1.131 10.395 -9.193 1.00 0.00 H new ATOM 0 HA GLU A 32 0.715 11.290 -11.165 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.382 9.283 -10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.442 10.047 -12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.318 9.417 -11.585 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.301 7.995 -11.704 1.00 0.00 H new ATOM 435 N GLY A 33 -2.202 12.721 -10.999 1.00 0.00 N ATOM 436 CA GLY A 33 -3.003 13.827 -11.495 1.00 0.00 C ATOM 437 C GLY A 33 -2.206 15.133 -11.475 1.00 0.00 C ATOM 438 O GLY A 33 -2.093 15.811 -12.494 1.00 0.00 O ATOM 0 H GLY A 33 -2.570 12.271 -10.161 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.334 13.614 -12.512 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.899 13.934 -10.884 1.00 0.00 H new ATOM 442 N ILE A 34 -1.674 15.446 -10.302 1.00 0.00 N ATOM 443 CA ILE A 34 -0.891 16.659 -10.136 1.00 0.00 C ATOM 444 C ILE A 34 0.290 16.636 -11.108 1.00 0.00 C ATOM 445 O ILE A 34 0.755 17.685 -11.551 1.00 0.00 O ATOM 446 CB ILE A 34 -0.479 16.834 -8.673 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.795 16.046 -8.363 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.627 16.462 -7.732 1.00 0.00 C ATOM 449 CD1 ILE A 34 2.017 16.966 -8.337 1.00 0.00 C ATOM 0 H ILE A 34 -1.770 14.881 -9.458 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.490 17.536 -10.382 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.254 17.887 -8.506 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.692 15.545 -7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.937 15.268 -9.113 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.308 16.595 -6.698 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.485 17.104 -7.933 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.907 15.421 -7.894 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.909 16.380 -8.114 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.132 17.446 -9.309 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.883 17.728 -7.569 1.00 0.00 H new ATOM 461 N ALA A 35 0.741 15.428 -11.413 1.00 0.00 N ATOM 462 CA ALA A 35 1.859 15.255 -12.325 1.00 0.00 C ATOM 463 C ALA A 35 1.439 15.693 -13.729 1.00 0.00 C ATOM 464 O ALA A 35 2.284 16.026 -14.558 1.00 0.00 O ATOM 465 CB ALA A 35 2.330 13.799 -12.285 1.00 0.00 C ATOM 0 H ALA A 35 0.353 14.560 -11.045 1.00 0.00 H new ATOM 0 HA ALA A 35 2.700 15.879 -12.023 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.169 13.669 -12.969 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.645 13.546 -11.273 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.512 13.144 -12.585 1.00 0.00 H new ATOM 471 N ARG A 36 0.133 15.679 -13.953 1.00 0.00 N ATOM 472 CA ARG A 36 -0.410 16.071 -15.242 1.00 0.00 C ATOM 473 C ARG A 36 0.095 17.463 -15.630 1.00 0.00 C ATOM 474 O ARG A 36 0.556 17.670 -16.751 1.00 0.00 O ATOM 475 CB ARG A 36 -1.939 16.080 -15.217 1.00 0.00 C ATOM 476 CG ARG A 36 -2.491 14.678 -14.954 1.00 0.00 C ATOM 477 CD ARG A 36 -4.013 14.708 -14.798 1.00 0.00 C ATOM 478 NE ARG A 36 -4.538 13.328 -14.693 1.00 0.00 N ATOM 479 CZ ARG A 36 -5.791 13.027 -14.324 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.655 14.007 -14.023 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.180 11.747 -14.256 1.00 0.00 N ATOM 0 H ARG A 36 -0.565 15.402 -13.263 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.075 15.340 -15.978 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.290 16.764 -14.444 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.320 16.452 -16.168 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.219 14.016 -15.776 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.037 14.268 -14.052 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.285 15.278 -13.909 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.464 15.214 -15.651 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.907 12.558 -14.915 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.359 14.982 -14.075 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.608 13.778 -13.742 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.523 11.001 -14.485 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.133 11.518 -13.975 1.00 0.00 H new ATOM 495 N GLN A 37 -0.009 18.381 -14.680 1.00 0.00 N ATOM 496 CA GLN A 37 0.431 19.747 -14.907 1.00 0.00 C ATOM 497 C GLN A 37 1.774 19.756 -15.640 1.00 0.00 C ATOM 498 O GLN A 37 2.507 18.769 -15.613 1.00 0.00 O ATOM 499 CB GLN A 37 0.520 20.521 -13.590 1.00 0.00 C ATOM 500 CG GLN A 37 -0.870 20.937 -13.105 1.00 0.00 C ATOM 501 CD GLN A 37 -1.093 22.438 -13.301 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.195 23.250 -13.151 1.00 0.00 O ATOM 503 NE2 GLN A 37 -2.337 22.760 -13.642 1.00 0.00 N ATOM 0 H GLN A 37 -0.392 18.205 -13.751 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.307 20.247 -15.534 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.004 19.904 -12.833 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.142 21.406 -13.725 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.631 20.379 -13.650 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.982 20.684 -12.051 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.041 22.030 -13.751 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.587 23.737 -13.795 1.00 0.00 H new ATOM 512 N PRO A 38 2.064 20.913 -16.294 1.00 0.00 N ATOM 513 CA PRO A 38 3.306 21.064 -17.033 1.00 0.00 C ATOM 514 C PRO A 38 4.488 21.265 -16.083 1.00 0.00 C ATOM 515 O PRO A 38 5.585 20.769 -16.337 1.00 0.00 O ATOM 516 CB PRO A 38 3.074 22.252 -17.952 1.00 0.00 C ATOM 517 CG PRO A 38 1.891 23.007 -17.369 1.00 0.00 C ATOM 518 CD PRO A 38 1.220 22.103 -16.347 1.00 0.00 C ATOM 0 HA PRO A 38 3.564 20.175 -17.609 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.958 22.888 -17.999 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.864 21.923 -18.970 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.223 23.933 -16.900 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.188 23.282 -18.156 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.156 22.587 -15.372 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.202 21.854 -16.647 1.00 0.00 H new ATOM 526 N GLU A 39 4.225 21.993 -15.007 1.00 0.00 N ATOM 527 CA GLU A 39 5.254 22.266 -14.018 1.00 0.00 C ATOM 528 C GLU A 39 5.560 21.003 -13.209 1.00 0.00 C ATOM 529 O GLU A 39 6.668 20.841 -12.701 1.00 0.00 O ATOM 530 CB GLU A 39 4.840 23.418 -13.100 1.00 0.00 C ATOM 531 CG GLU A 39 6.066 24.155 -12.559 1.00 0.00 C ATOM 532 CD GLU A 39 5.653 25.304 -11.637 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.769 26.080 -12.059 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.230 25.379 -10.530 1.00 0.00 O ATOM 0 H GLU A 39 3.314 22.402 -14.799 1.00 0.00 H new ATOM 0 HA GLU A 39 6.162 22.569 -14.540 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.205 24.114 -13.648 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.248 23.032 -12.270 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.703 23.458 -12.014 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.656 24.544 -13.389 1.00 0.00 H new ATOM 541 N LEU A 40 4.558 20.142 -13.115 1.00 0.00 N ATOM 542 CA LEU A 40 4.706 18.899 -12.377 1.00 0.00 C ATOM 543 C LEU A 40 5.138 17.789 -13.337 1.00 0.00 C ATOM 544 O LEU A 40 4.767 16.629 -13.158 1.00 0.00 O ATOM 545 CB LEU A 40 3.426 18.580 -11.603 1.00 0.00 C ATOM 546 CG LEU A 40 3.126 19.479 -10.402 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.361 20.288 -10.001 1.00 0.00 C ATOM 548 CD2 LEU A 40 1.918 20.376 -10.677 1.00 0.00 C ATOM 0 H LEU A 40 3.640 20.280 -13.538 1.00 0.00 H new ATOM 0 HA LEU A 40 5.490 18.993 -11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.584 18.637 -12.293 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.483 17.549 -11.254 1.00 0.00 H new ATOM 0 HG LEU A 40 2.869 18.843 -9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.121 20.919 -9.145 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.171 19.608 -9.735 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.673 20.914 -10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.726 21.005 -9.808 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.122 21.006 -11.543 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.043 19.757 -10.877 1.00 0.00 H new ATOM 560 N ARG A 41 5.914 18.182 -14.336 1.00 0.00 N ATOM 561 CA ARG A 41 6.400 17.235 -15.325 1.00 0.00 C ATOM 562 C ARG A 41 7.273 16.171 -14.657 1.00 0.00 C ATOM 563 O ARG A 41 7.167 14.987 -14.972 1.00 0.00 O ATOM 564 CB ARG A 41 7.211 17.942 -16.413 1.00 0.00 C ATOM 565 CG ARG A 41 7.213 17.129 -17.709 1.00 0.00 C ATOM 566 CD ARG A 41 8.414 16.182 -17.761 1.00 0.00 C ATOM 567 NE ARG A 41 9.296 16.543 -18.893 1.00 0.00 N ATOM 568 CZ ARG A 41 10.454 15.928 -19.169 1.00 0.00 C ATOM 569 NH1 ARG A 41 10.877 14.918 -18.396 1.00 0.00 N ATOM 570 NH2 ARG A 41 11.189 16.323 -20.217 1.00 0.00 N ATOM 0 H ARG A 41 6.219 19.144 -14.482 1.00 0.00 H new ATOM 0 HA ARG A 41 5.533 16.761 -15.785 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.792 18.931 -16.600 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.235 18.090 -16.070 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.289 16.555 -17.784 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.240 17.803 -18.565 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.970 16.235 -16.825 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.071 15.153 -17.870 1.00 0.00 H new ATOM 0 HE ARG A 41 9.004 17.308 -19.501 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.317 14.618 -17.598 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.758 14.450 -18.606 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.867 17.092 -20.805 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.071 15.855 -20.427 1.00 0.00 H new ATOM 584 N PRO A 42 8.140 16.644 -13.721 1.00 0.00 N ATOM 585 CA PRO A 42 9.032 15.747 -13.006 1.00 0.00 C ATOM 586 C PRO A 42 8.271 14.948 -11.946 1.00 0.00 C ATOM 587 O PRO A 42 8.746 13.911 -11.485 1.00 0.00 O ATOM 588 CB PRO A 42 10.104 16.648 -12.414 1.00 0.00 C ATOM 589 CG PRO A 42 9.523 18.052 -12.427 1.00 0.00 C ATOM 590 CD PRO A 42 8.294 18.040 -13.322 1.00 0.00 C ATOM 0 HA PRO A 42 9.478 14.992 -13.654 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.357 16.339 -11.400 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.022 16.600 -13.000 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.257 18.364 -11.417 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.258 18.766 -12.798 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.413 18.399 -12.790 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.429 18.687 -14.189 1.00 0.00 H new ATOM 598 N VAL A 43 7.102 15.460 -11.591 1.00 0.00 N ATOM 599 CA VAL A 43 6.270 14.807 -10.594 1.00 0.00 C ATOM 600 C VAL A 43 5.899 13.406 -11.085 1.00 0.00 C ATOM 601 O VAL A 43 5.663 12.506 -10.281 1.00 0.00 O ATOM 602 CB VAL A 43 5.049 15.675 -10.282 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.128 14.982 -9.275 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.473 17.056 -9.778 1.00 0.00 C ATOM 0 H VAL A 43 6.711 16.320 -11.976 1.00 0.00 H new ATOM 0 HA VAL A 43 6.816 14.689 -9.658 1.00 0.00 H new ATOM 0 HB VAL A 43 4.490 15.814 -11.207 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.268 15.619 -9.070 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.786 14.033 -9.688 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.673 14.799 -8.349 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.587 17.653 -9.564 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.065 16.946 -8.869 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.070 17.554 -10.542 1.00 0.00 H new ATOM 614 N LEU A 44 5.859 13.267 -12.402 1.00 0.00 N ATOM 615 CA LEU A 44 5.520 11.991 -13.009 1.00 0.00 C ATOM 616 C LEU A 44 6.427 10.901 -12.434 1.00 0.00 C ATOM 617 O LEU A 44 5.950 9.839 -12.035 1.00 0.00 O ATOM 618 CB LEU A 44 5.573 12.093 -14.535 1.00 0.00 C ATOM 619 CG LEU A 44 5.299 10.799 -15.303 1.00 0.00 C ATOM 620 CD1 LEU A 44 4.137 10.977 -16.282 1.00 0.00 C ATOM 621 CD2 LEU A 44 6.565 10.298 -16.003 1.00 0.00 C ATOM 0 H LEU A 44 6.056 14.016 -13.065 1.00 0.00 H new ATOM 0 HA LEU A 44 4.494 11.714 -12.766 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.849 12.842 -14.855 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.559 12.460 -14.821 1.00 0.00 H new ATOM 0 HG LEU A 44 5.002 10.034 -14.586 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.964 10.042 -16.815 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.237 11.254 -15.732 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.381 11.762 -16.997 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.343 9.377 -16.542 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.915 11.054 -16.706 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.340 10.106 -15.261 1.00 0.00 H new ATOM 633 N GLN A 45 7.717 11.201 -12.409 1.00 0.00 N ATOM 634 CA GLN A 45 8.694 10.259 -11.889 1.00 0.00 C ATOM 635 C GLN A 45 8.397 9.942 -10.422 1.00 0.00 C ATOM 636 O GLN A 45 8.664 8.835 -9.956 1.00 0.00 O ATOM 637 CB GLN A 45 10.117 10.797 -12.057 1.00 0.00 C ATOM 638 CG GLN A 45 10.310 11.412 -13.444 1.00 0.00 C ATOM 639 CD GLN A 45 11.747 11.219 -13.934 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.497 10.399 -13.431 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.087 12.018 -14.941 1.00 0.00 N ATOM 0 H GLN A 45 8.109 12.083 -12.740 1.00 0.00 H new ATOM 0 HA GLN A 45 8.620 9.335 -12.462 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.319 11.546 -11.292 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.835 9.990 -11.910 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.617 10.953 -14.149 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.073 12.475 -13.410 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.410 12.683 -15.316 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.025 11.966 -15.339 1.00 0.00 H new ATOM 650 N THR A 46 7.850 10.933 -9.734 1.00 0.00 N ATOM 651 CA THR A 46 7.514 10.774 -8.330 1.00 0.00 C ATOM 652 C THR A 46 6.298 9.859 -8.173 1.00 0.00 C ATOM 653 O THR A 46 6.213 9.092 -7.215 1.00 0.00 O ATOM 654 CB THR A 46 7.308 12.167 -7.732 1.00 0.00 C ATOM 655 OG1 THR A 46 8.346 12.287 -6.764 1.00 0.00 O ATOM 656 CG2 THR A 46 6.020 12.267 -6.911 1.00 0.00 C ATOM 0 H THR A 46 7.631 11.850 -10.123 1.00 0.00 H new ATOM 0 HA THR A 46 8.321 10.286 -7.783 1.00 0.00 H new ATOM 0 HB THR A 46 7.287 12.906 -8.533 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.288 13.163 -6.329 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.922 13.276 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.164 12.046 -7.549 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.056 11.551 -6.090 1.00 0.00 H new ATOM 664 N THR A 47 5.386 9.971 -9.128 1.00 0.00 N ATOM 665 CA THR A 47 4.178 9.164 -9.107 1.00 0.00 C ATOM 666 C THR A 47 4.494 7.721 -9.508 1.00 0.00 C ATOM 667 O THR A 47 3.842 6.787 -9.044 1.00 0.00 O ATOM 668 CB THR A 47 3.146 9.835 -10.015 1.00 0.00 C ATOM 669 OG1 THR A 47 3.553 9.470 -11.332 1.00 0.00 O ATOM 670 CG2 THR A 47 3.256 11.361 -10.000 1.00 0.00 C ATOM 0 H THR A 47 5.460 10.608 -9.921 1.00 0.00 H new ATOM 0 HA THR A 47 3.759 9.105 -8.103 1.00 0.00 H new ATOM 0 HB THR A 47 2.144 9.541 -9.704 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.440 9.845 -11.516 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.501 11.787 -10.661 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.098 11.727 -8.986 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.247 11.658 -10.343 1.00 0.00 H new ATOM 678 N MET A 48 5.495 7.585 -10.366 1.00 0.00 N ATOM 679 CA MET A 48 5.905 6.272 -10.834 1.00 0.00 C ATOM 680 C MET A 48 6.509 5.448 -9.696 1.00 0.00 C ATOM 681 O MET A 48 6.209 4.263 -9.555 1.00 0.00 O ATOM 682 CB MET A 48 6.936 6.429 -11.954 1.00 0.00 C ATOM 683 CG MET A 48 6.305 6.158 -13.321 1.00 0.00 C ATOM 684 SD MET A 48 7.548 6.263 -14.598 1.00 0.00 S ATOM 685 CE MET A 48 6.559 5.856 -16.028 1.00 0.00 C ATOM 0 H MET A 48 6.034 8.362 -10.749 1.00 0.00 H new ATOM 0 HA MET A 48 5.025 5.749 -11.208 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.350 7.437 -11.934 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.765 5.741 -11.789 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.846 5.170 -13.329 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.511 6.880 -13.514 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.184 5.876 -16.921 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.134 4.860 -15.905 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.754 6.584 -16.133 1.00 0.00 H new ATOM 695 N PHE A 49 7.349 6.107 -8.911 1.00 0.00 N ATOM 696 CA PHE A 49 7.998 5.450 -7.790 1.00 0.00 C ATOM 697 C PHE A 49 6.999 5.171 -6.665 1.00 0.00 C ATOM 698 O PHE A 49 7.127 4.180 -5.948 1.00 0.00 O ATOM 699 CB PHE A 49 9.075 6.406 -7.273 1.00 0.00 C ATOM 700 CG PHE A 49 10.354 5.709 -6.806 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.377 5.060 -5.611 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.468 5.738 -7.586 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.564 4.413 -5.177 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.655 5.091 -7.152 1.00 0.00 C ATOM 705 CZ PHE A 49 12.678 4.442 -5.957 1.00 0.00 C ATOM 0 H PHE A 49 7.595 7.090 -9.030 1.00 0.00 H new ATOM 0 HA PHE A 49 8.419 4.497 -8.111 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.327 7.114 -8.062 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.666 6.984 -6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.492 5.037 -4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.450 6.253 -8.535 1.00 0.00 H new ATOM 0 HE1 PHE A 49 11.582 3.898 -4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.540 5.114 -7.771 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.581 3.950 -5.627 1.00 0.00 H new ATOM 715 N ILE A 50 6.026 6.063 -6.546 1.00 0.00 N ATOM 716 CA ILE A 50 5.006 5.925 -5.521 1.00 0.00 C ATOM 717 C ILE A 50 4.053 4.791 -5.905 1.00 0.00 C ATOM 718 O ILE A 50 3.517 4.105 -5.036 1.00 0.00 O ATOM 719 CB ILE A 50 4.304 7.263 -5.280 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.388 7.669 -3.807 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.859 7.223 -5.782 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.787 8.180 -3.458 1.00 0.00 C ATOM 0 H ILE A 50 5.923 6.884 -7.143 1.00 0.00 H new ATOM 0 HA ILE A 50 5.459 5.652 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 50 4.823 8.029 -5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.651 8.444 -3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.141 6.815 -3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.383 8.186 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.851 7.012 -6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.312 6.442 -5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.819 8.462 -2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.519 7.394 -3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.021 9.049 -4.074 1.00 0.00 H new ATOM 734 N GLY A 51 3.871 4.630 -7.208 1.00 0.00 N ATOM 735 CA GLY A 51 2.992 3.591 -7.717 1.00 0.00 C ATOM 736 C GLY A 51 3.510 2.202 -7.342 1.00 0.00 C ATOM 737 O GLY A 51 2.762 1.376 -6.820 1.00 0.00 O ATOM 0 H GLY A 51 4.317 5.201 -7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.988 3.730 -7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.915 3.674 -8.801 1.00 0.00 H new ATOM 741 N VAL A 52 4.787 1.986 -7.622 1.00 0.00 N ATOM 742 CA VAL A 52 5.414 0.710 -7.320 1.00 0.00 C ATOM 743 C VAL A 52 5.439 0.505 -5.804 1.00 0.00 C ATOM 744 O VAL A 52 5.070 -0.561 -5.313 1.00 0.00 O ATOM 745 CB VAL A 52 6.805 0.648 -7.954 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.387 -0.764 -7.861 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.769 1.131 -9.405 1.00 0.00 C ATOM 0 H VAL A 52 5.405 2.673 -8.055 1.00 0.00 H new ATOM 0 HA VAL A 52 4.838 -0.110 -7.750 1.00 0.00 H new ATOM 0 HB VAL A 52 7.458 1.318 -7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.376 -0.781 -8.319 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.467 -1.056 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.733 -1.462 -8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.771 1.077 -9.832 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.094 0.499 -9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.417 2.162 -9.437 1.00 0.00 H new ATOM 757 N ALA A 53 5.877 1.542 -5.106 1.00 0.00 N ATOM 758 CA ALA A 53 5.954 1.489 -3.656 1.00 0.00 C ATOM 759 C ALA A 53 4.596 1.065 -3.092 1.00 0.00 C ATOM 760 O ALA A 53 4.530 0.307 -2.125 1.00 0.00 O ATOM 761 CB ALA A 53 6.411 2.846 -3.118 1.00 0.00 C ATOM 0 H ALA A 53 6.182 2.424 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 53 6.688 0.749 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.469 2.806 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.393 3.087 -3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.697 3.614 -3.415 1.00 0.00 H new ATOM 767 N LEU A 54 3.546 1.574 -3.720 1.00 0.00 N ATOM 768 CA LEU A 54 2.193 1.258 -3.293 1.00 0.00 C ATOM 769 C LEU A 54 1.922 -0.229 -3.532 1.00 0.00 C ATOM 770 O LEU A 54 1.173 -0.855 -2.783 1.00 0.00 O ATOM 771 CB LEU A 54 1.186 2.184 -3.977 1.00 0.00 C ATOM 772 CG LEU A 54 0.417 1.585 -5.157 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.870 0.905 -4.684 1.00 0.00 C ATOM 774 CD2 LEU A 54 0.146 2.642 -6.229 1.00 0.00 C ATOM 0 H LEU A 54 3.605 2.203 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 54 2.079 1.435 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.465 2.518 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.716 3.070 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 54 1.039 0.815 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.397 0.488 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.623 0.105 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.507 1.637 -4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.402 2.190 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.446 3.451 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.092 3.040 -6.595 1.00 0.00 H new ATOM 786 N VAL A 55 2.547 -0.752 -4.577 1.00 0.00 N ATOM 787 CA VAL A 55 2.382 -2.153 -4.923 1.00 0.00 C ATOM 788 C VAL A 55 3.146 -3.016 -3.916 1.00 0.00 C ATOM 789 O VAL A 55 2.786 -4.169 -3.683 1.00 0.00 O ATOM 790 CB VAL A 55 2.823 -2.390 -6.369 1.00 0.00 C ATOM 791 CG1 VAL A 55 2.898 -3.886 -6.681 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.895 -1.672 -7.350 1.00 0.00 C ATOM 0 H VAL A 55 3.168 -0.230 -5.195 1.00 0.00 H new ATOM 0 HA VAL A 55 1.332 -2.440 -4.866 1.00 0.00 H new ATOM 0 HB VAL A 55 3.823 -1.972 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.214 -4.027 -7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.617 -4.361 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.916 -4.337 -6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.231 -1.857 -8.370 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.878 -2.046 -7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.913 -0.601 -7.151 1.00 0.00 H new ATOM 802 N GLU A 56 4.185 -2.424 -3.346 1.00 0.00 N ATOM 803 CA GLU A 56 5.002 -3.124 -2.370 1.00 0.00 C ATOM 804 C GLU A 56 4.274 -3.202 -1.027 1.00 0.00 C ATOM 805 O GLU A 56 4.795 -3.766 -0.066 1.00 0.00 O ATOM 806 CB GLU A 56 6.368 -2.452 -2.215 1.00 0.00 C ATOM 807 CG GLU A 56 7.449 -3.224 -2.973 1.00 0.00 C ATOM 808 CD GLU A 56 8.847 -2.787 -2.531 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.210 -3.121 -1.383 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.521 -2.129 -3.353 1.00 0.00 O ATOM 0 H GLU A 56 4.480 -1.467 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 56 5.172 -4.139 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.318 -1.429 -2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.631 -2.394 -1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.327 -4.293 -2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.335 -3.060 -4.044 1.00 0.00 H new ATOM 817 N ALA A 57 3.079 -2.629 -1.003 1.00 0.00 N ATOM 818 CA ALA A 57 2.274 -2.627 0.206 1.00 0.00 C ATOM 819 C ALA A 57 1.426 -3.899 0.251 1.00 0.00 C ATOM 820 O ALA A 57 0.993 -4.324 1.321 1.00 0.00 O ATOM 821 CB ALA A 57 1.423 -1.356 0.251 1.00 0.00 C ATOM 0 H ALA A 57 2.649 -2.163 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 57 2.910 -2.624 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.819 -1.355 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.074 -0.482 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.769 -1.325 -0.620 1.00 0.00 H new ATOM 827 N LEU A 58 1.213 -4.472 -0.925 1.00 0.00 N ATOM 828 CA LEU A 58 0.423 -5.687 -1.033 1.00 0.00 C ATOM 829 C LEU A 58 1.174 -6.839 -0.362 1.00 0.00 C ATOM 830 O LEU A 58 0.616 -7.540 0.481 1.00 0.00 O ATOM 831 CB LEU A 58 0.057 -5.959 -2.494 1.00 0.00 C ATOM 832 CG LEU A 58 -1.378 -6.423 -2.750 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.381 -5.542 -2.002 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.675 -6.483 -4.250 1.00 0.00 C ATOM 0 H LEU A 58 1.574 -4.117 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.525 -5.574 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.231 -5.048 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.738 -6.716 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.485 -7.435 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.393 -5.893 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.183 -5.594 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.282 -4.510 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.701 -6.816 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.545 -5.493 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.991 -7.183 -4.729 1.00 0.00 H new ATOM 846 N PRO A 59 2.460 -7.004 -0.772 1.00 0.00 N ATOM 847 CA PRO A 59 3.292 -8.059 -0.220 1.00 0.00 C ATOM 848 C PRO A 59 3.752 -7.709 1.197 1.00 0.00 C ATOM 849 O PRO A 59 3.924 -8.594 2.033 1.00 0.00 O ATOM 850 CB PRO A 59 4.445 -8.204 -1.200 1.00 0.00 C ATOM 851 CG PRO A 59 4.466 -6.919 -2.013 1.00 0.00 C ATOM 852 CD PRO A 59 3.153 -6.193 -1.769 1.00 0.00 C ATOM 0 HA PRO A 59 2.758 -9.003 -0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.389 -8.349 -0.674 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.303 -9.072 -1.844 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.309 -6.294 -1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.589 -7.140 -3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.323 -5.179 -1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.570 -6.110 -2.686 1.00 0.00 H new ATOM 860 N ILE A 60 3.939 -6.417 1.422 1.00 0.00 N ATOM 861 CA ILE A 60 4.376 -5.940 2.723 1.00 0.00 C ATOM 862 C ILE A 60 3.315 -6.285 3.770 1.00 0.00 C ATOM 863 O ILE A 60 3.615 -6.930 4.774 1.00 0.00 O ATOM 864 CB ILE A 60 4.716 -4.450 2.660 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.135 -4.233 2.129 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.505 -3.781 4.020 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.386 -2.755 1.823 1.00 0.00 C ATOM 0 H ILE A 60 3.796 -5.686 0.725 1.00 0.00 H new ATOM 0 HA ILE A 60 5.296 -6.441 3.024 1.00 0.00 H new ATOM 0 HB ILE A 60 4.033 -3.974 1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.860 -4.584 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.284 -4.825 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.754 -2.722 3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.463 -3.889 4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.148 -4.255 4.762 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.401 -2.629 1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.675 -2.414 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.260 -2.169 2.733 1.00 0.00 H new ATOM 879 N ILE A 61 2.097 -5.840 3.501 1.00 0.00 N ATOM 880 CA ILE A 61 0.990 -6.093 4.408 1.00 0.00 C ATOM 881 C ILE A 61 0.785 -7.603 4.546 1.00 0.00 C ATOM 882 O ILE A 61 0.566 -8.105 5.647 1.00 0.00 O ATOM 883 CB ILE A 61 -0.262 -5.343 3.949 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.030 -3.852 3.762 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.428 -5.583 4.909 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.904 -3.237 2.718 1.00 0.00 C ATOM 0 H ILE A 61 1.852 -5.305 2.668 1.00 0.00 H new ATOM 0 HA ILE A 61 1.217 -5.708 5.402 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.560 -5.737 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.089 -3.332 4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.066 -3.717 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.305 -5.039 4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.654 -6.649 4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.157 -5.233 5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.675 -2.177 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.765 -3.743 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.938 -3.352 3.042 1.00 0.00 H new ATOM 898 N GLY A 62 0.864 -8.285 3.413 1.00 0.00 N ATOM 899 CA GLY A 62 0.690 -9.728 3.394 1.00 0.00 C ATOM 900 C GLY A 62 1.659 -10.410 4.362 1.00 0.00 C ATOM 901 O GLY A 62 1.314 -11.410 4.989 1.00 0.00 O ATOM 0 H GLY A 62 1.046 -7.865 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.336 -9.978 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.854 -10.104 2.384 1.00 0.00 H new ATOM 905 N VAL A 63 2.852 -9.841 4.454 1.00 0.00 N ATOM 906 CA VAL A 63 3.873 -10.381 5.336 1.00 0.00 C ATOM 907 C VAL A 63 3.456 -10.155 6.790 1.00 0.00 C ATOM 908 O VAL A 63 3.710 -10.997 7.651 1.00 0.00 O ATOM 909 CB VAL A 63 5.233 -9.765 5.001 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.324 -10.309 5.926 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.593 -9.997 3.532 1.00 0.00 C ATOM 0 H VAL A 63 3.135 -9.011 3.932 1.00 0.00 H new ATOM 0 HA VAL A 63 3.974 -11.457 5.190 1.00 0.00 H new ATOM 0 HB VAL A 63 5.163 -8.689 5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.281 -9.855 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.077 -10.069 6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.393 -11.391 5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.564 -9.549 3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.636 -11.068 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.836 -9.539 2.895 1.00 0.00 H new ATOM 921 N VAL A 64 2.822 -9.015 7.021 1.00 0.00 N ATOM 922 CA VAL A 64 2.368 -8.668 8.356 1.00 0.00 C ATOM 923 C VAL A 64 1.377 -9.727 8.845 1.00 0.00 C ATOM 924 O VAL A 64 1.578 -10.330 9.898 1.00 0.00 O ATOM 925 CB VAL A 64 1.781 -7.254 8.359 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.085 -6.952 9.687 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.860 -6.213 8.055 1.00 0.00 C ATOM 0 H VAL A 64 2.612 -8.319 6.305 1.00 0.00 H new ATOM 0 HA VAL A 64 3.206 -8.660 9.053 1.00 0.00 H new ATOM 0 HB VAL A 64 1.032 -7.200 7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.677 -5.942 9.662 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.277 -7.666 9.845 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.805 -7.033 10.502 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.417 -5.217 8.063 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.642 -6.268 8.812 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.290 -6.411 7.073 1.00 0.00 H new ATOM 937 N PHE A 65 0.330 -9.920 8.056 1.00 0.00 N ATOM 938 CA PHE A 65 -0.691 -10.896 8.395 1.00 0.00 C ATOM 939 C PHE A 65 -0.066 -12.253 8.722 1.00 0.00 C ATOM 940 O PHE A 65 -0.437 -12.890 9.707 1.00 0.00 O ATOM 941 CB PHE A 65 -1.592 -11.045 7.167 1.00 0.00 C ATOM 942 CG PHE A 65 -1.822 -12.495 6.736 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.524 -13.340 7.538 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.323 -12.939 5.551 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.736 -14.686 7.138 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.536 -14.285 5.151 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.238 -15.130 5.954 1.00 0.00 C ATOM 0 H PHE A 65 0.167 -9.417 7.184 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.248 -10.563 9.271 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.556 -10.582 7.378 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.150 -10.495 6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.920 -12.987 8.479 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.765 -12.268 4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.293 -15.357 7.775 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.141 -14.638 4.210 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.399 -16.154 5.650 1.00 0.00 H new ATOM 957 N SER A 66 0.871 -12.656 7.877 1.00 0.00 N ATOM 958 CA SER A 66 1.551 -13.927 8.064 1.00 0.00 C ATOM 959 C SER A 66 2.278 -13.938 9.410 1.00 0.00 C ATOM 960 O SER A 66 2.183 -14.906 10.164 1.00 0.00 O ATOM 961 CB SER A 66 2.537 -14.196 6.926 1.00 0.00 C ATOM 962 OG SER A 66 1.963 -13.934 5.649 1.00 0.00 O ATOM 0 H SER A 66 1.176 -12.125 7.061 1.00 0.00 H new ATOM 0 HA SER A 66 0.803 -14.720 8.056 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.423 -13.575 7.060 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.866 -15.234 6.969 1.00 0.00 H new ATOM 0 HG SER A 66 2.004 -12.973 5.463 1.00 0.00 H new ATOM 968 N PHE A 67 2.989 -12.850 9.672 1.00 0.00 N ATOM 969 CA PHE A 67 3.732 -12.723 10.914 1.00 0.00 C ATOM 970 C PHE A 67 2.812 -12.900 12.124 1.00 0.00 C ATOM 971 O PHE A 67 3.205 -13.497 13.125 1.00 0.00 O ATOM 972 CB PHE A 67 4.321 -11.311 10.940 1.00 0.00 C ATOM 973 CG PHE A 67 5.816 -11.255 10.617 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.697 -11.991 11.346 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.263 -10.470 9.600 1.00 0.00 C ATOM 976 CE1 PHE A 67 8.084 -11.939 11.046 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.650 -10.419 9.301 1.00 0.00 C ATOM 978 CZ PHE A 67 8.532 -11.154 10.030 1.00 0.00 C ATOM 0 H PHE A 67 3.066 -12.049 9.045 1.00 0.00 H new ATOM 0 HA PHE A 67 4.506 -13.489 10.964 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.782 -10.690 10.225 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.156 -10.878 11.926 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.342 -12.615 12.153 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.563 -9.886 9.020 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.784 -12.523 11.625 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.005 -9.796 8.494 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.587 -11.114 9.802 1.00 0.00 H new ATOM 988 N ILE A 68 1.604 -12.371 11.992 1.00 0.00 N ATOM 989 CA ILE A 68 0.626 -12.463 13.062 1.00 0.00 C ATOM 990 C ILE A 68 0.390 -13.935 13.406 1.00 0.00 C ATOM 991 O ILE A 68 0.551 -14.341 14.556 1.00 0.00 O ATOM 992 CB ILE A 68 -0.651 -11.707 12.687 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.588 -10.254 13.163 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.891 -12.430 13.215 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.720 -9.590 12.726 1.00 0.00 C ATOM 0 H ILE A 68 1.281 -11.877 11.160 1.00 0.00 H new ATOM 0 HA ILE A 68 1.002 -11.980 13.964 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.729 -11.686 11.600 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.435 -9.698 12.760 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.672 -10.219 14.249 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.784 -11.872 12.935 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.939 -13.431 12.786 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.835 -12.503 14.301 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.739 -8.558 13.077 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.564 -10.134 13.151 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.790 -9.605 11.638 1.00 0.00 H new ATOM 1007 N TYR A 69 0.013 -14.695 12.388 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.247 -16.113 12.568 1.00 0.00 C ATOM 1009 C TYR A 69 0.897 -16.787 13.328 1.00 0.00 C ATOM 1010 O TYR A 69 0.663 -17.523 14.286 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.330 -16.708 11.162 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.068 -18.047 11.095 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.256 -18.215 11.778 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -0.546 -19.087 10.354 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.951 -19.475 11.715 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -1.240 -20.347 10.292 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.408 -20.479 10.976 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.064 -21.669 10.917 1.00 0.00 O ATOM 0 H TYR A 69 -0.119 -14.355 11.435 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.161 -16.266 13.141 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.831 -15.996 10.506 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.680 -16.842 10.775 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.664 -17.402 12.360 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.384 -18.956 9.820 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.882 -19.619 12.243 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.842 -21.169 9.715 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.561 -22.292 10.352 1.00 0.00 H new ATOM 1028 N LEU A 70 2.111 -16.513 12.872 1.00 0.00 N ATOM 1029 CA LEU A 70 3.292 -17.084 13.496 1.00 0.00 C ATOM 1030 C LEU A 70 3.271 -16.775 14.994 1.00 0.00 C ATOM 1031 O LEU A 70 3.917 -17.464 15.783 1.00 0.00 O ATOM 1032 CB LEU A 70 4.559 -16.603 12.786 1.00 0.00 C ATOM 1033 CG LEU A 70 5.729 -17.588 12.761 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.716 -18.422 11.478 1.00 0.00 C ATOM 1035 CD2 LEU A 70 7.061 -16.863 12.960 1.00 0.00 C ATOM 0 H LEU A 70 2.302 -15.903 12.077 1.00 0.00 H new ATOM 0 HA LEU A 70 3.290 -18.169 13.394 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.301 -16.350 11.758 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.894 -15.684 13.266 1.00 0.00 H new ATOM 0 HG LEU A 70 5.611 -18.279 13.596 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.558 -19.114 11.485 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.784 -18.985 11.419 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.796 -17.762 10.614 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.876 -17.587 12.938 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.201 -16.134 12.162 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.056 -16.351 13.922 1.00 0.00 H new ATOM 1047 N GLY A 71 2.523 -15.738 15.342 1.00 0.00 N ATOM 1048 CA GLY A 71 2.410 -15.329 16.732 1.00 0.00 C ATOM 1049 C GLY A 71 3.070 -13.968 16.958 1.00 0.00 C ATOM 1050 O GLY A 71 3.422 -13.624 18.085 1.00 0.00 O ATOM 0 H GLY A 71 1.989 -15.169 14.685 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.359 -15.279 17.016 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.878 -16.075 17.374 1.00 0.00 H new ATOM 1054 N ARG A 72 3.219 -13.230 15.868 1.00 0.00 N ATOM 1055 CA ARG A 72 3.831 -11.913 15.933 1.00 0.00 C ATOM 1056 C ARG A 72 2.812 -10.835 15.556 1.00 0.00 C ATOM 1057 O ARG A 72 1.976 -10.454 16.373 1.00 0.00 O ATOM 1058 CB ARG A 72 5.035 -11.818 14.994 1.00 0.00 C ATOM 1059 CG ARG A 72 6.308 -12.313 15.683 1.00 0.00 C ATOM 1060 CD ARG A 72 6.846 -13.573 15.001 1.00 0.00 C ATOM 1061 NE ARG A 72 7.035 -14.648 16.000 1.00 0.00 N ATOM 1062 CZ ARG A 72 7.904 -14.582 17.018 1.00 0.00 C ATOM 1063 NH1 ARG A 72 8.668 -13.493 17.178 1.00 0.00 N ATOM 1064 NH2 ARG A 72 8.008 -15.606 17.877 1.00 0.00 N ATOM 0 H ARG A 72 2.927 -13.519 14.934 1.00 0.00 H new ATOM 0 HA ARG A 72 4.170 -11.755 16.957 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.849 -12.409 14.097 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.169 -10.785 14.672 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.066 -11.530 15.659 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.100 -12.524 16.732 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.152 -13.902 14.227 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.793 -13.353 14.508 1.00 0.00 H new ATOM 0 HE ARG A 72 6.469 -15.491 15.908 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.588 -12.714 16.525 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.329 -13.443 17.953 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.426 -16.435 17.755 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.669 -15.556 18.652 1.00 0.00 H new TER 1078 ARG A 72