USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 MET CE :methyl -143:sc= -10.6! (180deg=-16.1!) USER MOD Set 1.2: A 81 ASN : amide:sc= -0.501 K(o=-11,f=-12) USER MOD Set 2.1: A 6 GLN : amide:sc= -2.02! C(o=-15!,f=-18!) USER MOD Set 2.2: A 61 HIS : no HD1:sc= -13! C(o=-15!,f=-17!) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.514 (180deg=-1.54!) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.123 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.31) USER MOD Single : A 4 GLN : amide:sc= -0.0086 X(o=-0.0086,f=-0.31) USER MOD Single : A 7 GLN :FLIP amide:sc= -2.64! C(o=-3.2!,f=-2.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 168:sc= 1.22 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= 0.637 (180deg=0.32) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 27 ASN : amide:sc= 0.475 X(o=0.47,f=-0.024) USER MOD Single : A 28 ASN :FLIP amide:sc= 0.491 F(o=-0.016,f=0.49) USER MOD Single : A 31 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 43 CYS SG : rot 180:sc= 0.0793 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.8!) USER MOD Single : A 48 TYR OH : rot -103:sc= 0.19 USER MOD Single : A 50 MET CE :methyl -105:sc= -4.99! (180deg=-10.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -173:sc= -1.22! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -11:sc= -1.19 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -76:sc= 1.25 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.0295 K(o=-0.03,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.551 -2.891 17.870 1.00 0.00 N ATOM 2 CA MET A 1 -17.199 -3.318 17.554 1.00 0.00 C ATOM 3 C MET A 1 -16.199 -2.182 17.778 1.00 0.00 C ATOM 4 O MET A 1 -16.589 -1.063 18.109 1.00 0.00 O ATOM 5 CB MET A 1 -17.134 -3.775 16.096 1.00 0.00 C ATOM 6 CG MET A 1 -17.464 -5.264 15.973 1.00 0.00 C ATOM 7 SD MET A 1 -15.958 -6.219 15.898 1.00 0.00 S ATOM 8 CE MET A 1 -15.590 -6.354 17.640 1.00 0.00 C ATOM 0 H1 MET A 1 -18.866 -3.355 18.746 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.568 -1.859 18.000 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.189 -3.152 17.091 1.00 0.00 H new ATOM 0 HA MET A 1 -16.936 -4.144 18.214 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.834 -3.193 15.497 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.138 -3.585 15.696 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.065 -5.583 16.825 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.061 -5.440 15.078 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.968 -7.232 17.813 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.058 -5.461 17.970 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.519 -6.451 18.202 1.00 0.00 H new ATOM 18 N GLN A 2 -14.929 -2.508 17.588 1.00 0.00 N ATOM 19 CA GLN A 2 -13.870 -1.528 17.765 1.00 0.00 C ATOM 20 C GLN A 2 -12.878 -1.603 16.602 1.00 0.00 C ATOM 21 O GLN A 2 -11.858 -2.284 16.695 1.00 0.00 O ATOM 22 CB GLN A 2 -13.160 -1.724 19.105 1.00 0.00 C ATOM 23 CG GLN A 2 -13.597 -0.664 20.118 1.00 0.00 C ATOM 24 CD GLN A 2 -13.342 -1.136 21.551 1.00 0.00 C ATOM 25 OE1 GLN A 2 -13.671 -2.246 21.934 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.738 -0.233 22.318 1.00 0.00 N ATOM 0 H GLN A 2 -14.609 -3.437 17.313 1.00 0.00 H new ATOM 0 HA GLN A 2 -14.318 -0.534 17.771 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.380 -2.718 19.495 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.081 -1.670 18.960 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -13.055 0.264 19.935 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.657 -0.445 19.987 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.490 0.679 21.934 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.523 -0.452 23.291 1.00 0.00 H new ATOM 35 N GLU A 3 -13.212 -0.893 15.535 1.00 0.00 N ATOM 36 CA GLU A 3 -12.363 -0.870 14.356 1.00 0.00 C ATOM 37 C GLU A 3 -12.432 0.500 13.678 1.00 0.00 C ATOM 38 O GLU A 3 -13.517 1.043 13.478 1.00 0.00 O ATOM 39 CB GLU A 3 -12.750 -1.984 13.380 1.00 0.00 C ATOM 40 CG GLU A 3 -11.621 -2.257 12.384 1.00 0.00 C ATOM 41 CD GLU A 3 -10.841 -3.516 12.770 1.00 0.00 C ATOM 42 OE1 GLU A 3 -11.505 -4.557 12.965 1.00 0.00 O ATOM 43 OE2 GLU A 3 -9.599 -3.408 12.862 1.00 0.00 O ATOM 0 H GLU A 3 -14.059 -0.329 15.462 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.334 -1.047 14.670 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.979 -2.894 13.934 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.655 -1.702 12.841 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.035 -2.374 11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.945 -1.402 12.351 1.00 0.00 H new ATOM 50 N GLN A 4 -11.259 1.019 13.344 1.00 0.00 N ATOM 51 CA GLN A 4 -11.173 2.315 12.693 1.00 0.00 C ATOM 52 C GLN A 4 -11.511 2.186 11.207 1.00 0.00 C ATOM 53 O GLN A 4 -10.616 2.141 10.364 1.00 0.00 O ATOM 54 CB GLN A 4 -9.788 2.935 12.889 1.00 0.00 C ATOM 55 CG GLN A 4 -9.688 3.639 14.243 1.00 0.00 C ATOM 56 CD GLN A 4 -8.228 3.792 14.675 1.00 0.00 C ATOM 57 OE1 GLN A 4 -7.452 4.525 14.084 1.00 0.00 O ATOM 58 NE2 GLN A 4 -7.898 3.061 15.736 1.00 0.00 N ATOM 0 H GLN A 4 -10.361 0.565 13.512 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.902 2.981 13.154 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.026 2.159 12.822 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.589 3.648 12.089 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.158 4.621 14.182 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.236 3.070 14.994 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.597 2.468 16.184 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.946 3.093 16.102 1.00 0.00 H new ATOM 67 N ALA A 5 -12.806 2.131 10.930 1.00 0.00 N ATOM 68 CA ALA A 5 -13.274 2.009 9.560 1.00 0.00 C ATOM 69 C ALA A 5 -13.108 3.352 8.847 1.00 0.00 C ATOM 70 O ALA A 5 -13.654 4.363 9.285 1.00 0.00 O ATOM 71 CB ALA A 5 -14.725 1.523 9.558 1.00 0.00 C ATOM 0 H ALA A 5 -13.546 2.169 11.631 1.00 0.00 H new ATOM 0 HA ALA A 5 -12.682 1.272 9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.077 1.431 8.530 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -14.784 0.552 10.050 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -15.349 2.239 10.093 1.00 0.00 H new ATOM 77 N GLN A 6 -12.351 3.319 7.760 1.00 0.00 N ATOM 78 CA GLN A 6 -12.106 4.522 6.982 1.00 0.00 C ATOM 79 C GLN A 6 -11.253 4.195 5.755 1.00 0.00 C ATOM 80 O GLN A 6 -10.219 3.540 5.870 1.00 0.00 O ATOM 81 CB GLN A 6 -11.444 5.603 7.838 1.00 0.00 C ATOM 82 CG GLN A 6 -11.330 6.920 7.067 1.00 0.00 C ATOM 83 CD GLN A 6 -11.400 8.119 8.015 1.00 0.00 C ATOM 84 OE1 GLN A 6 -10.498 8.382 8.792 1.00 0.00 O ATOM 85 NE2 GLN A 6 -12.520 8.828 7.907 1.00 0.00 N ATOM 0 H GLN A 6 -11.899 2.478 7.400 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.065 4.912 6.640 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.025 5.759 8.747 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.453 5.271 8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.390 6.942 6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.132 6.986 6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.236 8.552 7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.663 9.648 8.496 1.00 0.00 H new ATOM 94 N GLN A 7 -11.719 4.668 4.608 1.00 0.00 N ATOM 95 CA GLN A 7 -11.012 4.434 3.360 1.00 0.00 C ATOM 96 C GLN A 7 -10.642 5.765 2.702 1.00 0.00 C ATOM 97 O GLN A 7 -11.501 6.445 2.143 1.00 0.00 O ATOM 98 CB GLN A 7 -11.843 3.566 2.413 1.00 0.00 C ATOM 99 CG GLN A 7 -11.127 3.375 1.074 1.00 0.00 C ATOM 100 CD GLN A 7 -12.124 3.043 -0.038 1.00 0.00 C ATOM 101 OE1 GLN A 7 -12.364 1.742 -0.178 1.00 0.00 O flip ATOM 102 NE2 GLN A 7 -12.640 3.910 -0.724 1.00 0.00 N flip ATOM 0 H GLN A 7 -12.577 5.212 4.517 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.092 3.893 3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.028 2.595 2.872 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.815 4.031 2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.579 4.282 0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.393 2.574 1.161 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.411 4.891 -0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.300 3.654 -1.458 1.00 0.00 H new ATOM 111 N PHE A 8 -9.363 6.098 2.791 1.00 0.00 N ATOM 112 CA PHE A 8 -8.869 7.335 2.211 1.00 0.00 C ATOM 113 C PHE A 8 -8.779 7.229 0.688 1.00 0.00 C ATOM 114 O PHE A 8 -8.731 6.129 0.140 1.00 0.00 O ATOM 115 CB PHE A 8 -7.467 7.567 2.779 1.00 0.00 C ATOM 116 CG PHE A 8 -7.333 8.850 3.601 1.00 0.00 C ATOM 117 CD1 PHE A 8 -8.001 9.973 3.224 1.00 0.00 C ATOM 118 CD2 PHE A 8 -6.546 8.867 4.710 1.00 0.00 C ATOM 119 CE1 PHE A 8 -7.876 11.163 3.987 1.00 0.00 C ATOM 120 CE2 PHE A 8 -6.421 10.058 5.474 1.00 0.00 C ATOM 121 CZ PHE A 8 -7.089 11.181 5.096 1.00 0.00 C ATOM 0 H PHE A 8 -8.653 5.532 3.256 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.546 8.155 2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.194 6.717 3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.753 7.599 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.627 9.959 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.016 7.975 5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.406 12.055 3.687 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.796 10.072 6.355 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.994 12.087 5.676 1.00 0.00 H new ATOM 131 N ILE A 9 -8.758 8.388 0.046 1.00 0.00 N ATOM 132 CA ILE A 9 -8.674 8.440 -1.404 1.00 0.00 C ATOM 133 C ILE A 9 -7.252 8.083 -1.841 1.00 0.00 C ATOM 134 O ILE A 9 -6.319 8.852 -1.616 1.00 0.00 O ATOM 135 CB ILE A 9 -9.154 9.798 -1.920 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.528 10.148 -1.345 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.146 9.837 -3.450 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.613 9.238 -1.924 1.00 0.00 C ATOM 0 H ILE A 9 -8.798 9.299 0.504 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.340 7.702 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.456 10.561 -1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.508 10.050 -0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.765 11.189 -1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.491 10.813 -3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.133 9.663 -3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.808 9.062 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.580 9.508 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.647 9.356 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.386 8.200 -1.679 1.00 0.00 H new ATOM 150 N PHE A 10 -7.132 6.917 -2.459 1.00 0.00 N ATOM 151 CA PHE A 10 -5.840 6.450 -2.930 1.00 0.00 C ATOM 152 C PHE A 10 -6.004 5.384 -4.015 1.00 0.00 C ATOM 153 O PHE A 10 -6.849 4.498 -3.897 1.00 0.00 O ATOM 154 CB PHE A 10 -5.123 5.831 -1.728 1.00 0.00 C ATOM 155 CG PHE A 10 -3.610 5.690 -1.911 1.00 0.00 C ATOM 156 CD1 PHE A 10 -3.101 4.604 -2.552 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.775 6.651 -1.432 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.697 4.474 -2.721 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.372 6.520 -1.601 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.862 5.434 -2.242 1.00 0.00 C ATOM 0 H PHE A 10 -7.909 6.282 -2.644 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.277 7.280 -3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.317 6.444 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.548 4.847 -1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.764 3.841 -2.932 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.180 7.513 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.292 3.612 -3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.709 7.283 -1.221 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.206 5.334 -2.370 1.00 0.00 H new ATOM 170 N LYS A 11 -5.184 5.506 -5.048 1.00 0.00 N ATOM 171 CA LYS A 11 -5.228 4.564 -6.154 1.00 0.00 C ATOM 172 C LYS A 11 -3.801 4.173 -6.543 1.00 0.00 C ATOM 173 O LYS A 11 -3.005 5.025 -6.936 1.00 0.00 O ATOM 174 CB LYS A 11 -6.046 5.136 -7.313 1.00 0.00 C ATOM 175 CG LYS A 11 -7.513 5.312 -6.914 1.00 0.00 C ATOM 176 CD LYS A 11 -8.280 3.996 -7.053 1.00 0.00 C ATOM 177 CE LYS A 11 -9.598 4.046 -6.277 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.221 2.704 -6.226 1.00 0.00 N ATOM 0 H LYS A 11 -4.485 6.243 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.739 3.649 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.630 6.097 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.977 4.472 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.574 5.666 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.975 6.075 -7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.481 3.797 -8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.668 3.173 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.417 4.408 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.280 4.752 -6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.114 2.756 -5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.411 2.373 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.576 2.040 -5.753 1.00 0.00 H new ATOM 192 N VAL A 12 -3.520 2.884 -6.420 1.00 0.00 N ATOM 193 CA VAL A 12 -2.202 2.370 -6.753 1.00 0.00 C ATOM 194 C VAL A 12 -2.323 1.387 -7.919 1.00 0.00 C ATOM 195 O VAL A 12 -3.208 0.532 -7.925 1.00 0.00 O ATOM 196 CB VAL A 12 -1.552 1.752 -5.514 1.00 0.00 C ATOM 197 CG1 VAL A 12 -1.811 0.245 -5.454 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.053 2.053 -5.473 1.00 0.00 C ATOM 0 H VAL A 12 -4.182 2.180 -6.094 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.547 3.179 -7.076 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.008 2.206 -4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.338 -0.170 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.885 0.062 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.395 -0.231 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.384 1.602 -4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.425 1.640 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.101 3.132 -5.447 1.00 0.00 H new ATOM 208 N THR A 13 -1.422 1.541 -8.878 1.00 0.00 N ATOM 209 CA THR A 13 -1.417 0.677 -10.046 1.00 0.00 C ATOM 210 C THR A 13 -1.341 -0.791 -9.623 1.00 0.00 C ATOM 211 O THR A 13 -0.862 -1.104 -8.534 1.00 0.00 O ATOM 212 CB THR A 13 -0.260 1.109 -10.949 1.00 0.00 C ATOM 213 OG1 THR A 13 0.907 0.780 -10.200 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.181 2.629 -11.112 1.00 0.00 C ATOM 0 H THR A 13 -0.690 2.251 -8.870 1.00 0.00 H new ATOM 0 HA THR A 13 -2.344 0.772 -10.612 1.00 0.00 H new ATOM 0 HB THR A 13 -0.371 0.643 -11.928 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.696 0.851 -10.776 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.657 2.882 -11.762 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.107 2.996 -11.554 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.036 3.093 -10.136 1.00 0.00 H new ATOM 222 N ASP A 14 -1.821 -1.654 -10.507 1.00 0.00 N ATOM 223 CA ASP A 14 -1.814 -3.082 -10.238 1.00 0.00 C ATOM 224 C ASP A 14 -0.368 -3.563 -10.099 1.00 0.00 C ATOM 225 O ASP A 14 -0.107 -4.574 -9.449 1.00 0.00 O ATOM 226 CB ASP A 14 -2.463 -3.861 -11.384 1.00 0.00 C ATOM 227 CG ASP A 14 -3.940 -4.203 -11.179 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.774 -3.325 -11.487 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.201 -5.336 -10.718 1.00 0.00 O ATOM 0 H ASP A 14 -2.217 -1.392 -11.410 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.376 -3.255 -9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.364 -3.279 -12.300 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.908 -4.787 -11.533 1.00 0.00 H new ATOM 234 N LYS A 15 0.533 -2.816 -10.720 1.00 0.00 N ATOM 235 CA LYS A 15 1.945 -3.154 -10.673 1.00 0.00 C ATOM 236 C LYS A 15 2.440 -3.061 -9.228 1.00 0.00 C ATOM 237 O LYS A 15 3.202 -3.913 -8.773 1.00 0.00 O ATOM 238 CB LYS A 15 2.737 -2.284 -11.651 1.00 0.00 C ATOM 239 CG LYS A 15 3.729 -3.126 -12.455 1.00 0.00 C ATOM 240 CD LYS A 15 3.001 -4.016 -13.465 1.00 0.00 C ATOM 241 CE LYS A 15 3.756 -4.068 -14.794 1.00 0.00 C ATOM 242 NZ LYS A 15 3.589 -5.392 -15.433 1.00 0.00 N ATOM 0 H LYS A 15 0.312 -1.978 -11.258 1.00 0.00 H new ATOM 0 HA LYS A 15 2.101 -4.183 -10.998 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.051 -1.777 -12.330 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.273 -1.510 -11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.427 -2.472 -12.978 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.318 -3.745 -11.778 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.899 -5.023 -13.061 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.993 -3.636 -13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.387 -3.287 -15.459 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.815 -3.870 -14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.108 -5.410 -16.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.962 -6.131 -14.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.579 -5.567 -15.611 1.00 0.00 H new ATOM 256 N ALA A 16 1.986 -2.020 -8.546 1.00 0.00 N ATOM 257 CA ALA A 16 2.372 -1.804 -7.162 1.00 0.00 C ATOM 258 C ALA A 16 1.677 -2.840 -6.276 1.00 0.00 C ATOM 259 O ALA A 16 2.326 -3.514 -5.477 1.00 0.00 O ATOM 260 CB ALA A 16 2.035 -0.369 -6.755 1.00 0.00 C ATOM 0 H ALA A 16 1.354 -1.316 -8.927 1.00 0.00 H new ATOM 0 HA ALA A 16 3.447 -1.933 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.325 -0.208 -5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.576 0.327 -7.395 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.963 -0.202 -6.863 1.00 0.00 H new ATOM 266 N VAL A 17 0.367 -2.935 -6.448 1.00 0.00 N ATOM 267 CA VAL A 17 -0.423 -3.878 -5.674 1.00 0.00 C ATOM 268 C VAL A 17 0.074 -5.298 -5.947 1.00 0.00 C ATOM 269 O VAL A 17 0.262 -6.083 -5.019 1.00 0.00 O ATOM 270 CB VAL A 17 -1.910 -3.694 -5.986 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.640 -5.039 -5.982 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.559 -2.715 -5.006 1.00 0.00 C ATOM 0 H VAL A 17 -0.167 -2.375 -7.112 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.303 -3.692 -4.607 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.993 -3.270 -6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.695 -4.881 -6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.202 -5.693 -6.737 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.543 -5.503 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.615 -2.602 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.460 -3.098 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.065 -1.746 -5.078 1.00 0.00 H new ATOM 282 N GLU A 18 0.274 -5.586 -7.225 1.00 0.00 N ATOM 283 CA GLU A 18 0.746 -6.899 -7.632 1.00 0.00 C ATOM 284 C GLU A 18 2.230 -7.058 -7.293 1.00 0.00 C ATOM 285 O GLU A 18 2.797 -8.136 -7.464 1.00 0.00 O ATOM 286 CB GLU A 18 0.495 -7.134 -9.122 1.00 0.00 C ATOM 287 CG GLU A 18 1.586 -6.478 -9.972 1.00 0.00 C ATOM 288 CD GLU A 18 2.721 -7.462 -10.262 1.00 0.00 C ATOM 289 OE1 GLU A 18 2.444 -8.457 -10.966 1.00 0.00 O ATOM 290 OE2 GLU A 18 3.841 -7.196 -9.773 1.00 0.00 O ATOM 0 H GLU A 18 0.118 -4.932 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 18 0.185 -7.653 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.465 -8.205 -9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.479 -6.730 -9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.158 -6.125 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.981 -5.605 -9.453 1.00 0.00 H new ATOM 297 N GLU A 19 2.816 -5.968 -6.820 1.00 0.00 N ATOM 298 CA GLU A 19 4.223 -5.972 -6.456 1.00 0.00 C ATOM 299 C GLU A 19 4.389 -6.362 -4.986 1.00 0.00 C ATOM 300 O GLU A 19 5.481 -6.735 -4.559 1.00 0.00 O ATOM 301 CB GLU A 19 4.867 -4.614 -6.740 1.00 0.00 C ATOM 302 CG GLU A 19 6.125 -4.416 -5.892 1.00 0.00 C ATOM 303 CD GLU A 19 7.189 -5.460 -6.236 1.00 0.00 C ATOM 304 OE1 GLU A 19 7.412 -5.665 -7.449 1.00 0.00 O ATOM 305 OE2 GLU A 19 7.755 -6.030 -5.279 1.00 0.00 O ATOM 0 H GLU A 19 2.342 -5.076 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 19 4.735 -6.714 -7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.122 -4.542 -7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.153 -3.818 -6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.525 -3.416 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.870 -4.487 -4.835 1.00 0.00 H new ATOM 312 N ILE A 20 3.291 -6.261 -4.252 1.00 0.00 N ATOM 313 CA ILE A 20 3.302 -6.598 -2.839 1.00 0.00 C ATOM 314 C ILE A 20 3.012 -8.091 -2.672 1.00 0.00 C ATOM 315 O ILE A 20 3.503 -8.722 -1.738 1.00 0.00 O ATOM 316 CB ILE A 20 2.339 -5.695 -2.065 1.00 0.00 C ATOM 317 CG1 ILE A 20 2.276 -4.299 -2.689 1.00 0.00 C ATOM 318 CG2 ILE A 20 2.709 -5.643 -0.581 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.676 -3.789 -3.036 1.00 0.00 C ATOM 0 H ILE A 20 2.388 -5.950 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 20 4.288 -6.415 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 20 1.339 -6.124 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.662 -4.327 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.795 -3.609 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.009 -4.995 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.662 -6.647 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.720 -5.250 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.602 -2.795 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.280 -3.739 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.145 -4.469 -3.748 1.00 0.00 H new ATOM 331 N LYS A 21 2.215 -8.613 -3.594 1.00 0.00 N ATOM 332 CA LYS A 21 1.853 -10.020 -3.561 1.00 0.00 C ATOM 333 C LYS A 21 3.121 -10.870 -3.660 1.00 0.00 C ATOM 334 O LYS A 21 3.221 -11.919 -3.026 1.00 0.00 O ATOM 335 CB LYS A 21 0.817 -10.332 -4.642 1.00 0.00 C ATOM 336 CG LYS A 21 -0.567 -9.816 -4.241 1.00 0.00 C ATOM 337 CD LYS A 21 -1.510 -9.784 -5.444 1.00 0.00 C ATOM 338 CE LYS A 21 -2.951 -9.512 -5.005 1.00 0.00 C ATOM 339 NZ LYS A 21 -3.892 -9.798 -6.110 1.00 0.00 N ATOM 0 H LYS A 21 1.810 -8.087 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 21 1.375 -10.269 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.120 -9.875 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.773 -11.408 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.986 -10.455 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.477 -8.815 -3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.187 -9.012 -6.143 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.461 -10.735 -5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.197 -10.129 -4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.052 -8.473 -4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.731 -9.191 -6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.426 -9.608 -7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.181 -10.796 -6.071 1.00 0.00 H new ATOM 353 N LYS A 22 4.059 -10.385 -4.461 1.00 0.00 N ATOM 354 CA LYS A 22 5.316 -11.088 -4.652 1.00 0.00 C ATOM 355 C LYS A 22 6.193 -10.901 -3.413 1.00 0.00 C ATOM 356 O LYS A 22 7.015 -11.759 -3.094 1.00 0.00 O ATOM 357 CB LYS A 22 5.987 -10.642 -5.953 1.00 0.00 C ATOM 358 CG LYS A 22 6.563 -9.231 -5.818 1.00 0.00 C ATOM 359 CD LYS A 22 8.053 -9.211 -6.165 1.00 0.00 C ATOM 360 CE LYS A 22 8.912 -9.225 -4.899 1.00 0.00 C ATOM 361 NZ LYS A 22 10.222 -9.858 -5.169 1.00 0.00 N ATOM 0 H LYS A 22 3.973 -9.514 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 22 5.141 -12.158 -4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.783 -11.340 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.262 -10.666 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.024 -8.550 -6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.418 -8.871 -4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.297 -10.074 -6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.281 -8.322 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.061 -8.206 -4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.395 -9.768 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.793 -9.859 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.075 -10.837 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.720 -9.323 -5.909 1.00 0.00 H new ATOM 375 N VAL A 23 5.989 -9.773 -2.747 1.00 0.00 N ATOM 376 CA VAL A 23 6.751 -9.462 -1.550 1.00 0.00 C ATOM 377 C VAL A 23 6.193 -10.265 -0.373 1.00 0.00 C ATOM 378 O VAL A 23 6.950 -10.747 0.469 1.00 0.00 O ATOM 379 CB VAL A 23 6.743 -7.953 -1.301 1.00 0.00 C ATOM 380 CG1 VAL A 23 6.695 -7.644 0.196 1.00 0.00 C ATOM 381 CG2 VAL A 23 7.950 -7.282 -1.961 1.00 0.00 C ATOM 0 H VAL A 23 5.307 -9.064 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 23 7.794 -9.751 -1.676 1.00 0.00 H new ATOM 0 HB VAL A 23 5.841 -7.544 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.690 -6.564 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.791 -8.074 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.570 -8.074 0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.920 -6.209 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.869 -7.699 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.922 -7.459 -3.036 1.00 0.00 H new ATOM 391 N ALA A 24 4.874 -10.384 -0.352 1.00 0.00 N ATOM 392 CA ALA A 24 4.205 -11.120 0.708 1.00 0.00 C ATOM 393 C ALA A 24 4.382 -12.621 0.471 1.00 0.00 C ATOM 394 O ALA A 24 4.607 -13.379 1.413 1.00 0.00 O ATOM 395 CB ALA A 24 2.733 -10.708 0.766 1.00 0.00 C ATOM 0 H ALA A 24 4.250 -9.983 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 24 4.647 -10.885 1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.232 -11.260 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.662 -9.639 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.255 -10.931 -0.188 1.00 0.00 H new ATOM 401 N GLN A 25 4.274 -13.004 -0.793 1.00 0.00 N ATOM 402 CA GLN A 25 4.420 -14.401 -1.166 1.00 0.00 C ATOM 403 C GLN A 25 5.718 -14.972 -0.592 1.00 0.00 C ATOM 404 O GLN A 25 5.728 -16.074 -0.046 1.00 0.00 O ATOM 405 CB GLN A 25 4.371 -14.571 -2.685 1.00 0.00 C ATOM 406 CG GLN A 25 2.989 -15.044 -3.140 1.00 0.00 C ATOM 407 CD GLN A 25 2.925 -15.165 -4.664 1.00 0.00 C ATOM 408 OE1 GLN A 25 3.916 -15.399 -5.336 1.00 0.00 O ATOM 409 NE2 GLN A 25 1.707 -14.993 -5.170 1.00 0.00 N ATOM 0 H GLN A 25 4.087 -12.372 -1.571 1.00 0.00 H new ATOM 0 HA GLN A 25 3.584 -14.958 -0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.613 -13.624 -3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.127 -15.291 -2.998 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.763 -16.008 -2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.229 -14.343 -2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.920 -14.800 -4.551 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.560 -15.054 -6.177 1.00 0.00 H new ATOM 418 N GLU A 26 6.782 -14.195 -0.734 1.00 0.00 N ATOM 419 CA GLU A 26 8.083 -14.609 -0.237 1.00 0.00 C ATOM 420 C GLU A 26 8.091 -14.608 1.293 1.00 0.00 C ATOM 421 O GLU A 26 8.979 -15.191 1.914 1.00 0.00 O ATOM 422 CB GLU A 26 9.193 -13.714 -0.792 1.00 0.00 C ATOM 423 CG GLU A 26 10.515 -14.478 -0.892 1.00 0.00 C ATOM 424 CD GLU A 26 11.498 -14.017 0.186 1.00 0.00 C ATOM 425 OE1 GLU A 26 11.442 -14.599 1.290 1.00 0.00 O ATOM 426 OE2 GLU A 26 12.282 -13.093 -0.119 1.00 0.00 O ATOM 0 H GLU A 26 6.769 -13.281 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 26 8.275 -15.625 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.908 -13.343 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.320 -12.844 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.330 -15.547 -0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.954 -14.326 -1.878 1.00 0.00 H new ATOM 433 N ASN A 27 7.092 -13.946 1.858 1.00 0.00 N ATOM 434 CA ASN A 27 6.973 -13.861 3.304 1.00 0.00 C ATOM 435 C ASN A 27 5.828 -14.762 3.770 1.00 0.00 C ATOM 436 O ASN A 27 5.440 -14.725 4.937 1.00 0.00 O ATOM 437 CB ASN A 27 6.660 -12.430 3.747 1.00 0.00 C ATOM 438 CG ASN A 27 7.944 -11.620 3.933 1.00 0.00 C ATOM 439 OD1 ASN A 27 8.713 -11.829 4.857 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.133 -10.686 3.005 1.00 0.00 N ATOM 0 H ASN A 27 6.357 -13.463 1.341 1.00 0.00 H new ATOM 0 HA ASN A 27 7.921 -14.174 3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.025 -11.946 3.005 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.099 -12.449 4.682 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.962 -10.092 3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.449 -10.564 2.258 1.00 0.00 H new ATOM 447 N ASN A 28 5.319 -15.550 2.835 1.00 0.00 N ATOM 448 CA ASN A 28 4.226 -16.460 3.136 1.00 0.00 C ATOM 449 C ASN A 28 3.036 -15.661 3.671 1.00 0.00 C ATOM 450 O ASN A 28 2.202 -16.195 4.401 1.00 0.00 O ATOM 451 CB ASN A 28 4.633 -17.475 4.206 1.00 0.00 C ATOM 452 CG ASN A 28 3.966 -18.829 3.959 1.00 0.00 C ATOM 453 OD1 ASN A 28 4.808 -19.859 3.983 1.00 0.00 O flip ATOM 454 ND2 ASN A 28 2.767 -18.933 3.760 1.00 0.00 N flip ATOM 0 H ASN A 28 5.643 -15.578 1.868 1.00 0.00 H new ATOM 0 HA ASN A 28 3.965 -16.988 2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.716 -17.594 4.206 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.353 -17.102 5.191 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.177 -18.101 3.755 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.355 -19.852 3.599 1.00 0.00 H new ATOM 461 N ILE A 29 2.995 -14.393 3.288 1.00 0.00 N ATOM 462 CA ILE A 29 1.921 -13.515 3.720 1.00 0.00 C ATOM 463 C ILE A 29 0.881 -13.401 2.603 1.00 0.00 C ATOM 464 O ILE A 29 1.234 -13.259 1.433 1.00 0.00 O ATOM 465 CB ILE A 29 2.482 -12.167 4.177 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.213 -12.303 5.514 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.382 -11.105 4.231 1.00 0.00 C ATOM 468 CD1 ILE A 29 3.679 -10.938 6.026 1.00 0.00 C ATOM 0 H ILE A 29 3.688 -13.953 2.683 1.00 0.00 H new ATOM 0 HA ILE A 29 1.413 -13.934 4.589 1.00 0.00 H new ATOM 0 HB ILE A 29 3.214 -11.835 3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.553 -12.765 6.248 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.072 -12.964 5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.808 -10.157 4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.945 -10.983 3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.609 -11.417 4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.196 -11.063 6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.358 -10.490 5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.816 -10.287 6.165 1.00 0.00 H new ATOM 480 N GLU A 30 -0.380 -13.468 3.003 1.00 0.00 N ATOM 481 CA GLU A 30 -1.473 -13.374 2.051 1.00 0.00 C ATOM 482 C GLU A 30 -2.274 -12.092 2.287 1.00 0.00 C ATOM 483 O GLU A 30 -3.332 -11.898 1.691 1.00 0.00 O ATOM 484 CB GLU A 30 -2.376 -14.607 2.130 1.00 0.00 C ATOM 485 CG GLU A 30 -2.454 -15.317 0.777 1.00 0.00 C ATOM 486 CD GLU A 30 -2.559 -16.832 0.958 1.00 0.00 C ATOM 487 OE1 GLU A 30 -1.595 -17.406 1.508 1.00 0.00 O ATOM 488 OE2 GLU A 30 -3.602 -17.382 0.543 1.00 0.00 O ATOM 0 H GLU A 30 -0.669 -13.586 3.974 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.052 -13.336 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.993 -15.295 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.376 -14.310 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.318 -14.953 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.570 -15.078 0.186 1.00 0.00 H new ATOM 495 N ASN A 31 -1.739 -11.249 3.158 1.00 0.00 N ATOM 496 CA ASN A 31 -2.390 -9.991 3.481 1.00 0.00 C ATOM 497 C ASN A 31 -1.331 -8.961 3.879 1.00 0.00 C ATOM 498 O ASN A 31 -1.178 -8.648 5.059 1.00 0.00 O ATOM 499 CB ASN A 31 -3.356 -10.156 4.656 1.00 0.00 C ATOM 500 CG ASN A 31 -4.445 -9.082 4.626 1.00 0.00 C ATOM 501 OD1 ASN A 31 -4.150 -7.993 5.331 1.00 0.00 O flip ATOM 502 ND2 ASN A 31 -5.483 -9.231 4.004 1.00 0.00 N flip ATOM 0 H ASN A 31 -0.861 -11.413 3.650 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.945 -9.663 2.602 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.814 -11.144 4.619 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.806 -10.095 5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.646 -10.093 3.483 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.188 -8.494 4.004 1.00 0.00 H new ATOM 509 N PRO A 32 -0.610 -8.449 2.846 1.00 0.00 N ATOM 510 CA PRO A 32 0.430 -7.461 3.077 1.00 0.00 C ATOM 511 C PRO A 32 -0.176 -6.089 3.380 1.00 0.00 C ATOM 512 O PRO A 32 -1.341 -5.840 3.077 1.00 0.00 O ATOM 513 CB PRO A 32 1.272 -7.473 1.812 1.00 0.00 C ATOM 514 CG PRO A 32 0.408 -8.123 0.743 1.00 0.00 C ATOM 515 CD PRO A 32 -0.764 -8.796 1.437 1.00 0.00 C ATOM 0 HA PRO A 32 1.043 -7.690 3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.557 -6.461 1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.195 -8.033 1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.053 -7.376 0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.986 -8.853 0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.716 -8.439 1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.744 -9.876 1.291 1.00 0.00 H new ATOM 523 N ILE A 33 0.644 -5.234 3.974 1.00 0.00 N ATOM 524 CA ILE A 33 0.204 -3.893 4.321 1.00 0.00 C ATOM 525 C ILE A 33 1.232 -2.877 3.818 1.00 0.00 C ATOM 526 O ILE A 33 2.357 -2.831 4.312 1.00 0.00 O ATOM 527 CB ILE A 33 -0.075 -3.793 5.822 1.00 0.00 C ATOM 528 CG1 ILE A 33 -1.235 -4.705 6.226 1.00 0.00 C ATOM 529 CG2 ILE A 33 -0.317 -2.340 6.239 1.00 0.00 C ATOM 530 CD1 ILE A 33 -0.960 -5.378 7.572 1.00 0.00 C ATOM 0 H ILE A 33 1.610 -5.444 4.224 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.740 -3.662 3.828 1.00 0.00 H new ATOM 0 HB ILE A 33 0.809 -4.139 6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.155 -4.124 6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.389 -5.465 5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.513 -2.297 7.310 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.565 -1.743 6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.176 -1.944 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.800 -6.021 7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.053 -5.978 7.500 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.831 -4.616 8.340 1.00 0.00 H new ATOM 542 N LEU A 34 0.808 -2.089 2.841 1.00 0.00 N ATOM 543 CA LEU A 34 1.678 -1.077 2.265 1.00 0.00 C ATOM 544 C LEU A 34 1.532 0.224 3.056 1.00 0.00 C ATOM 545 O LEU A 34 0.490 0.875 3.000 1.00 0.00 O ATOM 546 CB LEU A 34 1.401 -0.921 0.768 1.00 0.00 C ATOM 547 CG LEU A 34 1.586 -2.179 -0.083 1.00 0.00 C ATOM 548 CD1 LEU A 34 2.956 -2.813 0.166 1.00 0.00 C ATOM 549 CD2 LEU A 34 0.444 -3.171 0.150 1.00 0.00 C ATOM 0 H LEU A 34 -0.126 -2.131 2.434 1.00 0.00 H new ATOM 0 HA LEU A 34 2.721 -1.383 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.377 -0.569 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.056 -0.142 0.377 1.00 0.00 H new ATOM 0 HG LEU A 34 1.552 -1.889 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.062 -3.705 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.739 -2.100 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.045 -3.087 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.600 -4.056 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.422 -3.460 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.504 -2.704 -0.118 1.00 0.00 H new ATOM 561 N ARG A 35 2.592 0.564 3.775 1.00 0.00 N ATOM 562 CA ARG A 35 2.595 1.776 4.576 1.00 0.00 C ATOM 563 C ARG A 35 3.320 2.901 3.835 1.00 0.00 C ATOM 564 O ARG A 35 4.486 2.758 3.469 1.00 0.00 O ATOM 565 CB ARG A 35 3.277 1.542 5.926 1.00 0.00 C ATOM 566 CG ARG A 35 3.263 2.814 6.775 1.00 0.00 C ATOM 567 CD ARG A 35 3.011 2.487 8.249 1.00 0.00 C ATOM 568 NE ARG A 35 3.837 3.363 9.110 1.00 0.00 N ATOM 569 CZ ARG A 35 5.166 3.252 9.239 1.00 0.00 C ATOM 570 NH1 ARG A 35 5.828 2.301 8.565 1.00 0.00 N ATOM 571 NH2 ARG A 35 5.834 4.090 10.044 1.00 0.00 N ATOM 0 H ARG A 35 3.454 0.021 3.819 1.00 0.00 H new ATOM 0 HA ARG A 35 1.557 2.061 4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.769 0.739 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.306 1.218 5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.215 3.335 6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.489 3.490 6.411 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.955 2.622 8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.250 1.442 8.444 1.00 0.00 H new ATOM 0 HE ARG A 35 3.365 4.097 9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.320 1.662 7.954 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.840 2.217 8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.331 4.813 10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.846 4.005 10.142 1.00 0.00 H new ATOM 585 N ILE A 36 2.600 3.995 3.635 1.00 0.00 N ATOM 586 CA ILE A 36 3.160 5.143 2.944 1.00 0.00 C ATOM 587 C ILE A 36 3.857 6.053 3.957 1.00 0.00 C ATOM 588 O ILE A 36 3.266 6.429 4.969 1.00 0.00 O ATOM 589 CB ILE A 36 2.082 5.852 2.121 1.00 0.00 C ATOM 590 CG1 ILE A 36 2.053 5.325 0.685 1.00 0.00 C ATOM 591 CG2 ILE A 36 2.263 7.370 2.171 1.00 0.00 C ATOM 592 CD1 ILE A 36 1.220 4.045 0.587 1.00 0.00 C ATOM 0 H ILE A 36 1.633 4.110 3.940 1.00 0.00 H new ATOM 0 HA ILE A 36 3.917 4.824 2.228 1.00 0.00 H new ATOM 0 HB ILE A 36 1.112 5.629 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.638 6.085 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.070 5.128 0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.484 7.849 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.194 7.711 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.240 7.633 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.216 3.692 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.652 3.279 1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.198 4.251 0.904 1.00 0.00 H new ATOM 604 N ARG A 37 5.104 6.381 3.651 1.00 0.00 N ATOM 605 CA ARG A 37 5.887 7.240 4.522 1.00 0.00 C ATOM 606 C ARG A 37 6.911 8.031 3.706 1.00 0.00 C ATOM 607 O ARG A 37 7.723 7.449 2.989 1.00 0.00 O ATOM 608 CB ARG A 37 6.618 6.422 5.589 1.00 0.00 C ATOM 609 CG ARG A 37 6.418 7.032 6.979 1.00 0.00 C ATOM 610 CD ARG A 37 7.213 6.260 8.035 1.00 0.00 C ATOM 611 NE ARG A 37 8.642 6.641 7.971 1.00 0.00 N ATOM 612 CZ ARG A 37 9.641 5.893 8.460 1.00 0.00 C ATOM 613 NH1 ARG A 37 9.373 4.722 9.052 1.00 0.00 N ATOM 614 NH2 ARG A 37 10.907 6.318 8.357 1.00 0.00 N ATOM 0 H ARG A 37 5.591 6.067 2.812 1.00 0.00 H new ATOM 0 HA ARG A 37 5.200 7.928 5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.250 5.396 5.582 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.682 6.381 5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.734 8.075 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.359 7.021 7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.816 6.471 9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.106 5.188 7.871 1.00 0.00 H new ATOM 0 HE ARG A 37 8.881 7.528 7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.409 4.399 9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.133 4.153 9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.110 7.210 7.907 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.668 5.749 8.729 1.00 0.00 H new ATOM 628 N VAL A 38 6.841 9.347 3.844 1.00 0.00 N ATOM 629 CA VAL A 38 7.752 10.225 3.129 1.00 0.00 C ATOM 630 C VAL A 38 9.190 9.900 3.535 1.00 0.00 C ATOM 631 O VAL A 38 9.543 9.992 4.710 1.00 0.00 O ATOM 632 CB VAL A 38 7.375 11.686 3.379 1.00 0.00 C ATOM 633 CG1 VAL A 38 8.043 12.607 2.356 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.856 11.870 3.372 1.00 0.00 C ATOM 0 H VAL A 38 6.167 9.827 4.441 1.00 0.00 H new ATOM 0 HA VAL A 38 7.674 10.063 2.054 1.00 0.00 H new ATOM 0 HB VAL A 38 7.741 11.962 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.759 13.640 2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.126 12.508 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.721 12.330 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.616 12.918 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.457 11.567 2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.412 11.256 4.155 1.00 0.00 H new ATOM 644 N VAL A 39 9.982 9.526 2.541 1.00 0.00 N ATOM 645 CA VAL A 39 11.375 9.187 2.781 1.00 0.00 C ATOM 646 C VAL A 39 12.250 10.407 2.486 1.00 0.00 C ATOM 647 O VAL A 39 12.302 10.879 1.352 1.00 0.00 O ATOM 648 CB VAL A 39 11.764 7.959 1.956 1.00 0.00 C ATOM 649 CG1 VAL A 39 11.776 8.284 0.461 1.00 0.00 C ATOM 650 CG2 VAL A 39 13.116 7.402 2.406 1.00 0.00 C ATOM 0 H VAL A 39 9.686 9.450 1.568 1.00 0.00 H new ATOM 0 HA VAL A 39 11.529 8.921 3.827 1.00 0.00 H new ATOM 0 HB VAL A 39 11.011 7.190 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.056 7.394 -0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.784 8.612 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 39 12.497 9.078 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 39 13.369 6.530 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 39 13.884 8.165 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 39 13.060 7.114 3.456 1.00 0.00 H new ATOM 660 N PRO A 40 12.934 10.895 3.556 1.00 0.00 N ATOM 661 CA PRO A 40 13.805 12.051 3.423 1.00 0.00 C ATOM 662 C PRO A 40 15.109 11.677 2.715 1.00 0.00 C ATOM 663 O PRO A 40 16.165 11.618 3.343 1.00 0.00 O ATOM 664 CB PRO A 40 14.021 12.546 4.844 1.00 0.00 C ATOM 665 CG PRO A 40 13.648 11.385 5.751 1.00 0.00 C ATOM 666 CD PRO A 40 12.898 10.362 4.914 1.00 0.00 C ATOM 0 HA PRO A 40 13.371 12.836 2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.057 12.846 5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.402 13.419 5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 40 14.542 10.939 6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.027 11.731 6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.373 9.382 4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.873 10.239 5.264 1.00 0.00 H new ATOM 674 N GLY A 41 14.992 11.435 1.418 1.00 0.00 N ATOM 675 CA GLY A 41 16.149 11.069 0.619 1.00 0.00 C ATOM 676 C GLY A 41 16.132 11.788 -0.732 1.00 0.00 C ATOM 677 O GLY A 41 15.435 11.368 -1.654 1.00 0.00 O ATOM 0 H GLY A 41 14.114 11.485 0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.062 11.321 1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 41 16.160 9.991 0.461 1.00 0.00 H new ATOM 681 N GLY A 42 16.908 12.860 -0.805 1.00 0.00 N ATOM 682 CA GLY A 42 16.991 13.641 -2.027 1.00 0.00 C ATOM 683 C GLY A 42 15.884 14.697 -2.079 1.00 0.00 C ATOM 684 O GLY A 42 14.703 14.361 -2.137 1.00 0.00 O ATOM 0 H GLY A 42 17.484 13.206 -0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.965 14.127 -2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.910 12.981 -2.891 1.00 0.00 H new ATOM 688 N CYS A 43 16.307 15.952 -2.056 1.00 0.00 N ATOM 689 CA CYS A 43 15.367 17.060 -2.100 1.00 0.00 C ATOM 690 C CYS A 43 14.912 17.246 -3.549 1.00 0.00 C ATOM 691 O CYS A 43 13.977 18.000 -3.817 1.00 0.00 O ATOM 692 CB CYS A 43 15.975 18.340 -1.524 1.00 0.00 C ATOM 693 SG CYS A 43 17.504 18.772 -2.432 1.00 0.00 S ATOM 0 H CYS A 43 17.288 16.227 -2.007 1.00 0.00 H new ATOM 0 HA CYS A 43 14.503 16.833 -1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 43 15.257 19.157 -1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 43 16.197 18.202 -0.466 1.00 0.00 H new ATOM 0 HG CYS A 43 18.010 19.862 -1.936 1.00 0.00 H new ATOM 699 N SER A 44 15.592 16.546 -4.444 1.00 0.00 N ATOM 700 CA SER A 44 15.269 16.625 -5.859 1.00 0.00 C ATOM 701 C SER A 44 14.576 15.338 -6.310 1.00 0.00 C ATOM 702 O SER A 44 13.597 15.383 -7.053 1.00 0.00 O ATOM 703 CB SER A 44 16.524 16.874 -6.698 1.00 0.00 C ATOM 704 OG SER A 44 16.734 18.262 -6.944 1.00 0.00 O ATOM 0 H SER A 44 16.366 15.921 -4.217 1.00 0.00 H new ATOM 0 HA SER A 44 14.592 17.466 -6.009 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.392 16.461 -6.184 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.436 16.347 -7.648 1.00 0.00 H new ATOM 0 HG SER A 44 17.545 18.380 -7.481 1.00 0.00 H new ATOM 710 N GLY A 45 15.112 14.220 -5.841 1.00 0.00 N ATOM 711 CA GLY A 45 14.558 12.922 -6.187 1.00 0.00 C ATOM 712 C GLY A 45 14.122 12.160 -4.934 1.00 0.00 C ATOM 713 O GLY A 45 14.957 11.772 -4.118 1.00 0.00 O ATOM 0 H GLY A 45 15.924 14.187 -5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.705 13.053 -6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.301 12.339 -6.731 1.00 0.00 H new ATOM 717 N PHE A 46 12.816 11.969 -4.820 1.00 0.00 N ATOM 718 CA PHE A 46 12.260 11.260 -3.680 1.00 0.00 C ATOM 719 C PHE A 46 10.884 10.680 -4.012 1.00 0.00 C ATOM 720 O PHE A 46 10.058 11.349 -4.633 1.00 0.00 O ATOM 721 CB PHE A 46 12.111 12.280 -2.549 1.00 0.00 C ATOM 722 CG PHE A 46 11.213 13.468 -2.897 1.00 0.00 C ATOM 723 CD1 PHE A 46 11.722 14.529 -3.578 1.00 0.00 C ATOM 724 CD2 PHE A 46 9.905 13.463 -2.524 1.00 0.00 C ATOM 725 CE1 PHE A 46 10.888 15.632 -3.901 1.00 0.00 C ATOM 726 CE2 PHE A 46 9.070 14.566 -2.847 1.00 0.00 C ATOM 727 CZ PHE A 46 9.580 15.627 -3.528 1.00 0.00 C ATOM 0 H PHE A 46 12.127 12.293 -5.498 1.00 0.00 H new ATOM 0 HA PHE A 46 12.914 10.434 -3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.706 11.777 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 46 13.099 12.652 -2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.761 14.533 -3.873 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.501 12.620 -1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.292 16.474 -4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.031 14.562 -2.552 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.946 16.466 -3.773 1.00 0.00 H new ATOM 737 N GLN A 47 10.679 9.443 -3.585 1.00 0.00 N ATOM 738 CA GLN A 47 9.417 8.766 -3.830 1.00 0.00 C ATOM 739 C GLN A 47 8.939 8.059 -2.560 1.00 0.00 C ATOM 740 O GLN A 47 9.715 7.858 -1.627 1.00 0.00 O ATOM 741 CB GLN A 47 9.541 7.779 -4.993 1.00 0.00 C ATOM 742 CG GLN A 47 10.826 6.957 -4.880 1.00 0.00 C ATOM 743 CD GLN A 47 11.797 7.300 -6.011 1.00 0.00 C ATOM 744 OE1 GLN A 47 11.695 8.327 -6.662 1.00 0.00 O ATOM 745 NE2 GLN A 47 12.743 6.386 -6.208 1.00 0.00 N ATOM 0 H GLN A 47 11.366 8.892 -3.071 1.00 0.00 H new ATOM 0 HA GLN A 47 8.674 9.513 -4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.678 7.113 -5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.535 8.322 -5.938 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.301 7.148 -3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.586 5.894 -4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.771 5.548 -5.627 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.440 6.523 -6.940 1.00 0.00 H new ATOM 754 N TYR A 48 7.663 7.702 -2.564 1.00 0.00 N ATOM 755 CA TYR A 48 7.072 7.022 -1.424 1.00 0.00 C ATOM 756 C TYR A 48 7.238 5.506 -1.544 1.00 0.00 C ATOM 757 O TYR A 48 6.517 4.856 -2.299 1.00 0.00 O ATOM 758 CB TYR A 48 5.582 7.364 -1.455 1.00 0.00 C ATOM 759 CG TYR A 48 5.285 8.862 -1.363 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.311 9.497 -0.138 1.00 0.00 C ATOM 761 CD2 TYR A 48 4.991 9.579 -2.505 1.00 0.00 C ATOM 762 CE1 TYR A 48 5.032 10.907 -0.051 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.712 10.989 -2.418 1.00 0.00 C ATOM 764 CZ TYR A 48 4.746 11.583 -1.195 1.00 0.00 C ATOM 765 OH TYR A 48 4.482 12.915 -1.113 1.00 0.00 O ATOM 0 H TYR A 48 7.022 7.871 -3.339 1.00 0.00 H new ATOM 0 HA TYR A 48 7.553 7.336 -0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.149 6.974 -2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.086 6.854 -0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.541 8.936 0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.970 9.083 -3.464 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.050 11.416 0.901 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.481 11.562 -3.304 1.00 0.00 H new ATOM 0 HH TYR A 48 3.517 13.063 -1.194 1.00 0.00 H new ATOM 775 N ALA A 49 8.193 4.985 -0.787 1.00 0.00 N ATOM 776 CA ALA A 49 8.462 3.558 -0.798 1.00 0.00 C ATOM 777 C ALA A 49 7.477 2.849 0.134 1.00 0.00 C ATOM 778 O ALA A 49 7.185 3.341 1.223 1.00 0.00 O ATOM 779 CB ALA A 49 9.920 3.310 -0.403 1.00 0.00 C ATOM 0 H ALA A 49 8.790 5.527 -0.162 1.00 0.00 H new ATOM 0 HA ALA A 49 8.321 3.149 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.122 2.239 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.579 3.809 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.098 3.705 0.597 1.00 0.00 H new ATOM 785 N MET A 50 6.993 1.706 -0.328 1.00 0.00 N ATOM 786 CA MET A 50 6.046 0.925 0.451 1.00 0.00 C ATOM 787 C MET A 50 6.582 -0.484 0.712 1.00 0.00 C ATOM 788 O MET A 50 7.543 -0.914 0.076 1.00 0.00 O ATOM 789 CB MET A 50 4.717 0.835 -0.302 1.00 0.00 C ATOM 790 CG MET A 50 4.800 -0.185 -1.439 1.00 0.00 C ATOM 791 SD MET A 50 3.415 0.022 -2.546 1.00 0.00 S ATOM 792 CE MET A 50 4.140 -0.573 -4.065 1.00 0.00 C ATOM 0 H MET A 50 7.238 1.301 -1.232 1.00 0.00 H new ATOM 0 HA MET A 50 5.897 1.420 1.410 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.922 0.552 0.388 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.456 1.814 -0.705 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.735 -0.058 -1.985 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.803 -1.196 -1.032 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.367 0.272 -4.715 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.058 -1.116 -3.842 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.438 -1.239 -4.567 1.00 0.00 H new ATOM 802 N GLY A 51 5.937 -1.164 1.649 1.00 0.00 N ATOM 803 CA GLY A 51 6.337 -2.515 2.002 1.00 0.00 C ATOM 804 C GLY A 51 5.463 -3.068 3.130 1.00 0.00 C ATOM 805 O GLY A 51 4.801 -2.309 3.836 1.00 0.00 O ATOM 0 H GLY A 51 5.140 -0.804 2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.260 -3.161 1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.382 -2.520 2.311 1.00 0.00 H new ATOM 809 N PHE A 52 5.490 -4.386 3.264 1.00 0.00 N ATOM 810 CA PHE A 52 4.709 -5.049 4.294 1.00 0.00 C ATOM 811 C PHE A 52 5.272 -4.752 5.685 1.00 0.00 C ATOM 812 O PHE A 52 6.392 -5.147 6.003 1.00 0.00 O ATOM 813 CB PHE A 52 4.804 -6.553 4.029 1.00 0.00 C ATOM 814 CG PHE A 52 6.165 -7.161 4.376 1.00 0.00 C ATOM 815 CD1 PHE A 52 7.175 -7.131 3.466 1.00 0.00 C ATOM 816 CD2 PHE A 52 6.363 -7.732 5.595 1.00 0.00 C ATOM 817 CE1 PHE A 52 8.437 -7.696 3.788 1.00 0.00 C ATOM 818 CE2 PHE A 52 7.626 -8.296 5.917 1.00 0.00 C ATOM 819 CZ PHE A 52 8.636 -8.266 5.007 1.00 0.00 C ATOM 0 H PHE A 52 6.040 -5.012 2.676 1.00 0.00 H new ATOM 0 HA PHE A 52 3.678 -4.695 4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.032 -7.063 4.606 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.591 -6.740 2.976 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.017 -6.678 2.499 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.560 -7.756 6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.239 -7.673 3.065 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.784 -8.749 6.885 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.596 -8.695 5.252 1.00 0.00 H new ATOM 829 N ASP A 53 4.468 -4.059 6.478 1.00 0.00 N ATOM 830 CA ASP A 53 4.871 -3.704 7.828 1.00 0.00 C ATOM 831 C ASP A 53 4.525 -4.853 8.778 1.00 0.00 C ATOM 832 O ASP A 53 3.901 -5.832 8.372 1.00 0.00 O ATOM 833 CB ASP A 53 4.136 -2.453 8.312 1.00 0.00 C ATOM 834 CG ASP A 53 2.648 -2.401 7.962 1.00 0.00 C ATOM 835 OD1 ASP A 53 1.932 -3.332 8.391 1.00 0.00 O ATOM 836 OD2 ASP A 53 2.259 -1.433 7.274 1.00 0.00 O ATOM 0 H ASP A 53 3.539 -3.734 6.211 1.00 0.00 H new ATOM 0 HA ASP A 53 5.944 -3.511 7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.242 -2.384 9.395 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.624 -1.576 7.887 1.00 0.00 H new ATOM 841 N ASP A 54 4.946 -4.695 10.024 1.00 0.00 N ATOM 842 CA ASP A 54 4.688 -5.707 11.034 1.00 0.00 C ATOM 843 C ASP A 54 3.186 -5.768 11.318 1.00 0.00 C ATOM 844 O ASP A 54 2.620 -6.851 11.454 1.00 0.00 O ATOM 845 CB ASP A 54 5.403 -5.371 12.345 1.00 0.00 C ATOM 846 CG ASP A 54 5.771 -6.579 13.209 1.00 0.00 C ATOM 847 OD1 ASP A 54 6.858 -7.144 12.962 1.00 0.00 O ATOM 848 OD2 ASP A 54 4.955 -6.911 14.097 1.00 0.00 O ATOM 0 H ASP A 54 5.464 -3.882 10.357 1.00 0.00 H new ATOM 0 HA ASP A 54 5.055 -6.661 10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.313 -4.818 12.113 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.766 -4.706 12.929 1.00 0.00 H new ATOM 853 N THR A 55 2.583 -4.590 11.398 1.00 0.00 N ATOM 854 CA THR A 55 1.158 -4.496 11.662 1.00 0.00 C ATOM 855 C THR A 55 0.646 -3.093 11.332 1.00 0.00 C ATOM 856 O THR A 55 1.408 -2.241 10.878 1.00 0.00 O ATOM 857 CB THR A 55 0.919 -4.903 13.118 1.00 0.00 C ATOM 858 OG1 THR A 55 -0.367 -5.517 13.100 1.00 0.00 O ATOM 859 CG2 THR A 55 0.743 -3.696 14.042 1.00 0.00 C ATOM 0 H THR A 55 3.056 -3.693 11.285 1.00 0.00 H new ATOM 0 HA THR A 55 0.592 -5.173 11.023 1.00 0.00 H new ATOM 0 HB THR A 55 1.755 -5.509 13.468 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.601 -5.813 14.005 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.576 -4.040 15.063 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.641 -3.079 14.009 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.114 -3.108 13.713 1.00 0.00 H new ATOM 867 N VAL A 56 -0.642 -2.895 11.573 1.00 0.00 N ATOM 868 CA VAL A 56 -1.265 -1.610 11.306 1.00 0.00 C ATOM 869 C VAL A 56 -1.027 -0.677 12.495 1.00 0.00 C ATOM 870 O VAL A 56 -0.811 -1.136 13.616 1.00 0.00 O ATOM 871 CB VAL A 56 -2.748 -1.804 10.985 1.00 0.00 C ATOM 872 CG1 VAL A 56 -3.610 -1.601 12.233 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.191 -0.872 9.855 1.00 0.00 C ATOM 0 H VAL A 56 -1.271 -3.604 11.950 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.816 -1.142 10.430 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.886 -2.831 10.646 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.660 -1.745 11.977 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.320 -2.323 12.997 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.465 -0.591 12.615 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.249 -1.030 9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.031 0.164 10.154 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.609 -1.085 8.958 1.00 0.00 H new ATOM 883 N GLU A 57 -1.075 0.616 12.211 1.00 0.00 N ATOM 884 CA GLU A 57 -0.868 1.618 13.242 1.00 0.00 C ATOM 885 C GLU A 57 -2.184 1.921 13.960 1.00 0.00 C ATOM 886 O GLU A 57 -3.249 1.488 13.521 1.00 0.00 O ATOM 887 CB GLU A 57 -0.258 2.892 12.655 1.00 0.00 C ATOM 888 CG GLU A 57 0.851 2.559 11.655 1.00 0.00 C ATOM 889 CD GLU A 57 2.073 3.454 11.872 1.00 0.00 C ATOM 890 OE1 GLU A 57 1.856 4.639 12.204 1.00 0.00 O ATOM 891 OE2 GLU A 57 3.196 2.933 11.700 1.00 0.00 O ATOM 0 H GLU A 57 -1.254 0.993 11.280 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.162 1.220 13.971 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.034 3.477 12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.145 3.510 13.458 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.139 1.513 11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.479 2.686 10.638 1.00 0.00 H new ATOM 898 N GLU A 58 -2.069 2.662 15.052 1.00 0.00 N ATOM 899 CA GLU A 58 -3.237 3.028 15.835 1.00 0.00 C ATOM 900 C GLU A 58 -3.878 4.298 15.271 1.00 0.00 C ATOM 901 O GLU A 58 -4.616 4.989 15.971 1.00 0.00 O ATOM 902 CB GLU A 58 -2.874 3.206 17.311 1.00 0.00 C ATOM 903 CG GLU A 58 -4.121 3.133 18.195 1.00 0.00 C ATOM 904 CD GLU A 58 -4.204 1.786 18.916 1.00 0.00 C ATOM 905 OE1 GLU A 58 -4.150 0.758 18.206 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.319 1.815 20.160 1.00 0.00 O ATOM 0 H GLU A 58 -1.184 3.019 15.413 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.963 2.218 15.768 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.166 2.434 17.611 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.378 4.166 17.454 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.100 3.941 18.927 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.013 3.279 17.585 1.00 0.00 H new ATOM 913 N GLY A 59 -3.572 4.567 14.010 1.00 0.00 N ATOM 914 CA GLY A 59 -4.108 5.742 13.344 1.00 0.00 C ATOM 915 C GLY A 59 -3.705 5.767 11.869 1.00 0.00 C ATOM 916 O GLY A 59 -3.251 6.793 11.363 1.00 0.00 O ATOM 0 H GLY A 59 -2.960 3.991 13.432 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.195 5.748 13.428 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.745 6.643 13.839 1.00 0.00 H new ATOM 920 N ASP A 60 -3.886 4.627 11.219 1.00 0.00 N ATOM 921 CA ASP A 60 -3.546 4.506 9.811 1.00 0.00 C ATOM 922 C ASP A 60 -4.793 4.099 9.024 1.00 0.00 C ATOM 923 O ASP A 60 -5.437 3.102 9.345 1.00 0.00 O ATOM 924 CB ASP A 60 -2.478 3.432 9.593 1.00 0.00 C ATOM 925 CG ASP A 60 -1.245 3.896 8.815 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.169 5.114 8.545 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.406 3.022 8.508 1.00 0.00 O ATOM 0 H ASP A 60 -4.264 3.779 11.641 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.164 5.469 9.472 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.156 3.058 10.565 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.930 2.594 9.062 1.00 0.00 H new ATOM 932 N HIS A 61 -5.097 4.892 8.007 1.00 0.00 N ATOM 933 CA HIS A 61 -6.255 4.627 7.171 1.00 0.00 C ATOM 934 C HIS A 61 -6.056 3.309 6.421 1.00 0.00 C ATOM 935 O HIS A 61 -5.336 3.259 5.424 1.00 0.00 O ATOM 936 CB HIS A 61 -6.531 5.806 6.234 1.00 0.00 C ATOM 937 CG HIS A 61 -7.166 6.995 6.915 1.00 0.00 C ATOM 938 ND1 HIS A 61 -6.733 7.479 8.137 1.00 0.00 N ATOM 939 CD2 HIS A 61 -8.205 7.791 6.531 1.00 0.00 C ATOM 940 CE1 HIS A 61 -7.485 8.520 8.464 1.00 0.00 C ATOM 941 NE2 HIS A 61 -8.397 8.711 7.468 1.00 0.00 N ATOM 0 H HIS A 61 -4.561 5.719 7.743 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.141 4.519 7.796 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.593 6.120 5.776 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.183 5.471 5.427 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.775 7.690 5.619 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.392 9.113 9.362 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -9.109 9.441 7.447 1.00 0.00 H new ATOM 949 N VAL A 62 -6.707 2.272 6.929 1.00 0.00 N ATOM 950 CA VAL A 62 -6.610 0.956 6.319 1.00 0.00 C ATOM 951 C VAL A 62 -7.475 0.919 5.057 1.00 0.00 C ATOM 952 O VAL A 62 -8.686 1.119 5.125 1.00 0.00 O ATOM 953 CB VAL A 62 -6.991 -0.121 7.337 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.322 -0.779 6.966 1.00 0.00 C ATOM 955 CG2 VAL A 62 -5.881 -1.165 7.472 1.00 0.00 C ATOM 0 H VAL A 62 -7.303 2.316 7.755 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.584 0.750 6.016 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.115 0.362 8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.570 -1.541 7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.108 -0.024 6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.238 -1.242 5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.177 -1.919 8.202 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.710 -1.642 6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.963 -0.680 7.804 1.00 0.00 H new ATOM 965 N PHE A 63 -6.817 0.661 3.936 1.00 0.00 N ATOM 966 CA PHE A 63 -7.510 0.595 2.661 1.00 0.00 C ATOM 967 C PHE A 63 -7.439 -0.815 2.071 1.00 0.00 C ATOM 968 O PHE A 63 -6.363 -1.283 1.702 1.00 0.00 O ATOM 969 CB PHE A 63 -6.802 1.567 1.716 1.00 0.00 C ATOM 970 CG PHE A 63 -7.684 2.083 0.577 1.00 0.00 C ATOM 971 CD1 PHE A 63 -8.704 1.316 0.106 1.00 0.00 C ATOM 972 CD2 PHE A 63 -7.449 3.308 0.036 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.523 1.794 -0.950 1.00 0.00 C ATOM 974 CE2 PHE A 63 -8.268 3.786 -1.021 1.00 0.00 C ATOM 975 CZ PHE A 63 -9.288 3.019 -1.492 1.00 0.00 C ATOM 0 H PHE A 63 -5.812 0.495 3.885 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.561 0.851 2.795 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.437 2.417 2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.929 1.072 1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.891 0.343 0.536 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.640 3.917 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.333 1.185 -1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.081 4.759 -1.451 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.911 3.383 -2.296 1.00 0.00 H new ATOM 985 N GLU A 64 -8.599 -1.451 2.000 1.00 0.00 N ATOM 986 CA GLU A 64 -8.681 -2.798 1.461 1.00 0.00 C ATOM 987 C GLU A 64 -8.454 -2.779 -0.052 1.00 0.00 C ATOM 988 O GLU A 64 -9.041 -1.964 -0.761 1.00 0.00 O ATOM 989 CB GLU A 64 -10.024 -3.445 1.806 1.00 0.00 C ATOM 990 CG GLU A 64 -10.244 -3.480 3.319 1.00 0.00 C ATOM 991 CD GLU A 64 -11.622 -4.050 3.660 1.00 0.00 C ATOM 992 OE1 GLU A 64 -11.748 -5.293 3.618 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.519 -3.231 3.956 1.00 0.00 O ATOM 0 H GLU A 64 -9.489 -1.059 2.307 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.896 -3.400 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.832 -2.889 1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.056 -4.459 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.469 -4.086 3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.152 -2.473 3.727 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.600 -3.688 -0.501 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.288 -3.786 -1.917 1.00 0.00 C ATOM 1002 C TYR A 65 -7.650 -5.168 -2.464 1.00 0.00 C ATOM 1003 O TYR A 65 -8.408 -5.908 -1.838 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.775 -3.585 -2.030 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.370 -2.257 -2.671 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.389 -2.120 -4.045 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -4.985 -1.196 -1.877 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -5.007 -0.870 -4.649 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -4.604 0.054 -2.482 1.00 0.00 C ATOM 1010 CZ TYR A 65 -4.633 0.155 -3.838 1.00 0.00 C ATOM 1011 OH TYR A 65 -4.273 1.336 -4.408 1.00 0.00 O ATOM 0 H TYR A 65 -7.115 -4.363 0.091 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.852 -3.047 -2.486 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.336 -3.645 -1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.353 -4.402 -2.615 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.690 -2.950 -4.666 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.969 -1.303 -0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.017 -0.749 -5.722 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.302 0.893 -1.872 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.925 1.939 -3.719 1.00 0.00 H new ATOM 1021 N ASP A 66 -7.090 -5.475 -3.625 1.00 0.00 N ATOM 1022 CA ASP A 66 -7.344 -6.755 -4.263 1.00 0.00 C ATOM 1023 C ASP A 66 -6.731 -7.872 -3.416 1.00 0.00 C ATOM 1024 O ASP A 66 -5.738 -8.481 -3.811 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.709 -6.813 -5.654 1.00 0.00 C ATOM 1026 CG ASP A 66 -7.250 -7.916 -6.566 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -8.437 -7.809 -6.944 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -6.464 -8.841 -6.865 1.00 0.00 O ATOM 0 H ASP A 66 -6.461 -4.859 -4.140 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.423 -6.878 -4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.857 -5.851 -6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.634 -6.951 -5.541 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.349 -8.109 -2.269 1.00 0.00 N ATOM 1034 CA GLY A 67 -6.877 -9.142 -1.363 1.00 0.00 C ATOM 1035 C GLY A 67 -5.627 -8.682 -0.610 1.00 0.00 C ATOM 1036 O GLY A 67 -4.901 -9.500 -0.047 1.00 0.00 O ATOM 0 H GLY A 67 -8.173 -7.603 -1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.663 -9.393 -0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.654 -10.049 -1.925 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.414 -7.374 -0.625 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.265 -6.796 0.050 1.00 0.00 C ATOM 1042 C VAL A 68 -4.722 -5.609 0.900 1.00 0.00 C ATOM 1043 O VAL A 68 -5.789 -5.045 0.662 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.192 -6.420 -0.974 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -2.089 -5.579 -0.329 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.610 -7.667 -1.642 1.00 0.00 C ATOM 0 H VAL A 68 -6.018 -6.699 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.812 -7.523 0.724 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.665 -5.816 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.339 -5.325 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.520 -4.664 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.621 -6.148 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.850 -7.371 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.160 -8.309 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.405 -8.211 -2.153 1.00 0.00 H new ATOM 1056 N LYS A 69 -3.892 -5.264 1.873 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.197 -4.155 2.760 1.00 0.00 C ATOM 1058 C LYS A 69 -3.243 -2.995 2.466 1.00 0.00 C ATOM 1059 O LYS A 69 -2.086 -3.214 2.109 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.177 -4.613 4.219 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.135 -3.778 5.070 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.015 -4.145 6.551 1.00 0.00 C ATOM 1063 CE LYS A 69 -6.382 -4.502 7.139 1.00 0.00 C ATOM 1064 NZ LYS A 69 -6.225 -5.114 8.478 1.00 0.00 N ATOM 0 H LYS A 69 -3.008 -5.734 2.067 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.208 -3.791 2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.456 -5.665 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.165 -4.529 4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.917 -2.718 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.159 -3.938 4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.334 -4.988 6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.585 -3.309 7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.999 -3.606 7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.901 -5.193 6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.161 -5.351 8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.654 -5.980 8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.749 -4.442 9.113 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.763 -1.787 2.628 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.971 -0.593 2.384 1.00 0.00 C ATOM 1080 C VAL A 70 -3.231 0.421 3.500 1.00 0.00 C ATOM 1081 O VAL A 70 -4.327 0.471 4.056 1.00 0.00 O ATOM 1082 CB VAL A 70 -3.274 -0.040 0.991 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -2.859 1.429 0.882 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -2.598 -0.882 -0.093 1.00 0.00 C ATOM 0 H VAL A 70 -4.722 -1.609 2.925 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.907 -0.829 2.400 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.351 -0.097 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.085 1.798 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.407 2.017 1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.789 1.520 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.830 -0.467 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.519 -0.872 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.963 -1.908 -0.038 1.00 0.00 H new ATOM 1094 N VAL A 71 -2.204 1.205 3.794 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.306 2.215 4.833 1.00 0.00 C ATOM 1096 C VAL A 71 -1.497 3.447 4.423 1.00 0.00 C ATOM 1097 O VAL A 71 -0.610 3.357 3.575 1.00 0.00 O ATOM 1098 CB VAL A 71 -1.866 1.631 6.177 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.561 0.295 6.448 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.344 1.479 6.236 1.00 0.00 C ATOM 0 H VAL A 71 -1.297 1.161 3.330 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.342 2.532 4.955 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.164 2.329 6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.231 -0.099 7.409 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.641 0.444 6.468 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.307 -0.414 5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.057 1.062 7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.014 0.812 5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.124 2.455 6.109 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.832 4.569 5.043 1.00 0.00 N ATOM 1111 CA ILE A 72 -1.147 5.817 4.753 1.00 0.00 C ATOM 1112 C ILE A 72 -1.012 6.631 6.041 1.00 0.00 C ATOM 1113 O ILE A 72 -1.978 6.784 6.788 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.856 6.567 3.623 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -2.355 5.597 2.550 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.954 7.656 3.038 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -3.295 6.301 1.569 1.00 0.00 C ATOM 0 H ILE A 72 -2.569 4.640 5.745 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.137 5.622 4.391 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.732 7.064 4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.506 5.179 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.874 4.763 3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.481 8.174 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.691 8.369 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.046 7.202 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.635 5.589 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.155 6.697 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.765 7.119 1.081 1.00 0.00 H new ATOM 1129 N ASP A 73 0.194 7.133 6.263 1.00 0.00 N ATOM 1130 CA ASP A 73 0.468 7.928 7.448 1.00 0.00 C ATOM 1131 C ASP A 73 -0.464 9.141 7.470 1.00 0.00 C ATOM 1132 O ASP A 73 -0.990 9.543 6.433 1.00 0.00 O ATOM 1133 CB ASP A 73 1.910 8.440 7.447 1.00 0.00 C ATOM 1134 CG ASP A 73 2.845 7.739 8.435 1.00 0.00 C ATOM 1135 OD1 ASP A 73 3.358 6.662 8.064 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.025 8.297 9.539 1.00 0.00 O ATOM 0 H ASP A 73 0.993 7.004 5.642 1.00 0.00 H new ATOM 0 HA ASP A 73 0.310 7.296 8.322 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.318 8.330 6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.901 9.506 7.672 1.00 0.00 H new ATOM 1141 N PRO A 74 -0.646 9.704 8.695 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.506 10.863 8.865 1.00 0.00 C ATOM 1143 C PRO A 74 -0.826 12.131 8.345 1.00 0.00 C ATOM 1144 O PRO A 74 -1.498 13.100 7.994 1.00 0.00 O ATOM 1145 CB PRO A 74 -1.802 10.917 10.355 1.00 0.00 C ATOM 1146 CG PRO A 74 -0.731 10.071 11.024 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.040 9.254 9.945 1.00 0.00 C ATOM 0 HA PRO A 74 -2.430 10.790 8.291 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.775 11.943 10.722 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.797 10.528 10.570 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.012 10.706 11.542 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.175 9.416 11.773 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.037 9.425 9.947 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.194 8.186 10.098 1.00 0.00 H new ATOM 1155 N PHE A 75 0.497 12.084 8.311 1.00 0.00 N ATOM 1156 CA PHE A 75 1.275 13.217 7.839 1.00 0.00 C ATOM 1157 C PHE A 75 1.610 13.071 6.353 1.00 0.00 C ATOM 1158 O PHE A 75 1.800 14.066 5.656 1.00 0.00 O ATOM 1159 CB PHE A 75 2.576 13.233 8.644 1.00 0.00 C ATOM 1160 CG PHE A 75 2.613 14.294 9.746 1.00 0.00 C ATOM 1161 CD1 PHE A 75 3.011 15.562 9.456 1.00 0.00 C ATOM 1162 CD2 PHE A 75 2.247 13.970 11.015 1.00 0.00 C ATOM 1163 CE1 PHE A 75 3.045 16.547 10.478 1.00 0.00 C ATOM 1164 CE2 PHE A 75 2.282 14.955 12.037 1.00 0.00 C ATOM 1165 CZ PHE A 75 2.680 16.222 11.747 1.00 0.00 C ATOM 0 H PHE A 75 1.051 11.279 8.603 1.00 0.00 H new ATOM 0 HA PHE A 75 0.706 14.138 7.967 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.725 12.251 9.094 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.410 13.402 7.963 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.301 15.820 8.448 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.930 12.964 11.245 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.361 17.554 10.248 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.992 14.698 13.045 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.706 16.971 12.525 1.00 0.00 H new ATOM 1175 N SER A 76 1.673 11.822 5.914 1.00 0.00 N ATOM 1176 CA SER A 76 1.983 11.533 4.524 1.00 0.00 C ATOM 1177 C SER A 76 0.694 11.481 3.701 1.00 0.00 C ATOM 1178 O SER A 76 0.726 11.625 2.480 1.00 0.00 O ATOM 1179 CB SER A 76 2.750 10.216 4.393 1.00 0.00 C ATOM 1180 OG SER A 76 3.868 10.160 5.274 1.00 0.00 O ATOM 0 H SER A 76 1.515 10.999 6.496 1.00 0.00 H new ATOM 0 HA SER A 76 2.619 12.332 4.142 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.079 9.383 4.605 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.092 10.096 3.365 1.00 0.00 H new ATOM 0 HG SER A 76 4.025 11.047 5.660 1.00 0.00 H new ATOM 1186 N MET A 77 -0.411 11.274 4.403 1.00 0.00 N ATOM 1187 CA MET A 77 -1.708 11.200 3.752 1.00 0.00 C ATOM 1188 C MET A 77 -2.009 12.488 2.984 1.00 0.00 C ATOM 1189 O MET A 77 -2.389 12.443 1.814 1.00 0.00 O ATOM 1190 CB MET A 77 -2.794 10.967 4.805 1.00 0.00 C ATOM 1191 CG MET A 77 -3.327 9.535 4.735 1.00 0.00 C ATOM 1192 SD MET A 77 -3.884 9.171 3.078 1.00 0.00 S ATOM 1193 CE MET A 77 -4.852 10.634 2.749 1.00 0.00 C ATOM 0 H MET A 77 -0.435 11.155 5.416 1.00 0.00 H new ATOM 0 HA MET A 77 -1.693 10.372 3.043 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.390 11.160 5.799 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.612 11.671 4.651 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.546 8.833 5.027 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.149 9.409 5.440 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.732 10.364 2.165 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.165 11.083 3.692 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.251 11.350 2.189 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.824 13.636 3.690 1.00 0.00 N ATOM 1204 CA PRO A 78 -2.072 14.934 3.086 1.00 0.00 C ATOM 1205 C PRO A 78 -0.952 15.310 2.114 1.00 0.00 C ATOM 1206 O PRO A 78 -0.966 16.394 1.534 1.00 0.00 O ATOM 1207 CB PRO A 78 -2.191 15.896 4.257 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.547 15.193 5.441 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.376 13.727 5.076 1.00 0.00 C ATOM 0 HA PRO A 78 -2.978 14.950 2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.687 16.838 4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.235 16.132 4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.582 15.643 5.674 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.169 15.295 6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.338 13.412 5.178 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.969 13.085 5.727 1.00 0.00 H new ATOM 1217 N TYR A 79 -0.007 14.393 1.967 1.00 0.00 N ATOM 1218 CA TYR A 79 1.119 14.614 1.076 1.00 0.00 C ATOM 1219 C TYR A 79 0.995 13.760 -0.187 1.00 0.00 C ATOM 1220 O TYR A 79 1.623 14.052 -1.203 1.00 0.00 O ATOM 1221 CB TYR A 79 2.363 14.179 1.852 1.00 0.00 C ATOM 1222 CG TYR A 79 3.410 15.282 2.020 1.00 0.00 C ATOM 1223 CD1 TYR A 79 4.275 15.576 0.986 1.00 0.00 C ATOM 1224 CD2 TYR A 79 3.488 15.984 3.206 1.00 0.00 C ATOM 1225 CE1 TYR A 79 5.260 16.615 1.145 1.00 0.00 C ATOM 1226 CE2 TYR A 79 4.473 17.022 3.365 1.00 0.00 C ATOM 1227 CZ TYR A 79 5.310 17.287 2.326 1.00 0.00 C ATOM 1228 OH TYR A 79 6.240 18.267 2.475 1.00 0.00 O ATOM 0 H TYR A 79 0.002 13.495 2.450 1.00 0.00 H new ATOM 0 HA TYR A 79 1.164 15.658 0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.059 13.828 2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.821 13.333 1.339 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.214 15.027 0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.810 15.755 4.015 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.944 16.855 0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.546 17.578 4.288 1.00 0.00 H new ATOM 0 HH TYR A 79 6.159 18.662 3.368 1.00 0.00 H new ATOM 1238 N VAL A 80 0.180 12.720 -0.082 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.034 11.821 -1.203 1.00 0.00 C ATOM 1240 C VAL A 80 -1.534 11.707 -1.481 1.00 0.00 C ATOM 1241 O VAL A 80 -1.951 10.961 -2.365 1.00 0.00 O ATOM 1242 CB VAL A 80 0.626 10.469 -0.923 1.00 0.00 C ATOM 1243 CG1 VAL A 80 2.028 10.654 -0.339 1.00 0.00 C ATOM 1244 CG2 VAL A 80 -0.244 9.614 0.000 1.00 0.00 C ATOM 0 H VAL A 80 -0.340 12.480 0.762 1.00 0.00 H new ATOM 0 HA VAL A 80 0.435 12.216 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 80 0.725 9.942 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.475 9.678 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.647 11.205 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.962 11.211 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.249 8.659 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.390 10.134 0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.211 9.439 -0.471 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.305 12.459 -0.708 1.00 0.00 N ATOM 1255 CA ASN A 81 -3.750 12.452 -0.860 1.00 0.00 C ATOM 1256 C ASN A 81 -4.107 12.744 -2.319 1.00 0.00 C ATOM 1257 O ASN A 81 -3.346 13.401 -3.028 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.401 13.529 0.011 1.00 0.00 C ATOM 1259 CG ASN A 81 -5.889 13.671 -0.314 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -6.303 14.517 -1.088 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -6.667 12.799 0.320 1.00 0.00 N ATOM 0 H ASN A 81 -1.956 13.077 0.025 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.116 11.472 -0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.278 13.274 1.064 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.898 14.483 -0.147 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.676 12.813 0.171 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.255 12.116 0.956 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.265 12.243 -2.723 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.731 12.442 -4.085 1.00 0.00 C ATOM 1270 C GLY A 82 -4.579 12.317 -5.083 1.00 0.00 C ATOM 1271 O GLY A 82 -4.395 13.185 -5.936 1.00 0.00 O ATOM 0 H GLY A 82 -5.894 11.700 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.502 11.708 -4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.190 13.426 -4.176 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.833 11.231 -4.944 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.703 10.982 -5.824 1.00 0.00 C ATOM 1277 C ALA A 83 -2.443 9.476 -5.899 1.00 0.00 C ATOM 1278 O ALA A 83 -2.792 8.736 -4.981 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.484 11.760 -5.322 1.00 0.00 C ATOM 0 H ALA A 83 -3.989 10.514 -4.236 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.919 11.330 -6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.636 11.574 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.711 12.826 -5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.236 11.435 -4.312 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.834 9.068 -7.002 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.524 7.664 -7.210 1.00 0.00 C ATOM 1287 C GLU A 84 -0.014 7.433 -7.111 1.00 0.00 C ATOM 1288 O GLU A 84 0.771 8.370 -7.251 1.00 0.00 O ATOM 1289 CB GLU A 84 -2.066 7.175 -8.554 1.00 0.00 C ATOM 1290 CG GLU A 84 -3.594 7.104 -8.536 1.00 0.00 C ATOM 1291 CD GLU A 84 -4.196 7.948 -9.662 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -3.610 9.015 -9.946 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -5.228 7.506 -10.213 1.00 0.00 O ATOM 0 H GLU A 84 -1.547 9.685 -7.762 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.013 7.085 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.739 7.846 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.655 6.191 -8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.915 6.068 -8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.967 7.456 -7.574 1.00 0.00 H new ATOM 1300 N LEU A 85 0.347 6.181 -6.871 1.00 0.00 N ATOM 1301 CA LEU A 85 1.748 5.816 -6.753 1.00 0.00 C ATOM 1302 C LEU A 85 2.020 4.571 -7.599 1.00 0.00 C ATOM 1303 O LEU A 85 1.583 3.474 -7.253 1.00 0.00 O ATOM 1304 CB LEU A 85 2.137 5.657 -5.281 1.00 0.00 C ATOM 1305 CG LEU A 85 2.990 4.432 -4.942 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.278 4.415 -5.767 1.00 0.00 C ATOM 1307 CD2 LEU A 85 3.270 4.359 -3.440 1.00 0.00 C ATOM 0 H LEU A 85 -0.307 5.407 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 85 2.383 6.611 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.679 6.550 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.224 5.615 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 85 2.426 3.538 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.865 3.534 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.030 4.385 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.858 5.313 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.878 3.480 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.805 5.255 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.327 4.290 -2.897 1.00 0.00 H new ATOM 1319 N ASP A 86 2.739 4.782 -8.691 1.00 0.00 N ATOM 1320 CA ASP A 86 3.074 3.690 -9.589 1.00 0.00 C ATOM 1321 C ASP A 86 4.460 3.150 -9.234 1.00 0.00 C ATOM 1322 O ASP A 86 5.441 3.892 -9.246 1.00 0.00 O ATOM 1323 CB ASP A 86 3.110 4.164 -11.044 1.00 0.00 C ATOM 1324 CG ASP A 86 2.518 3.184 -12.058 1.00 0.00 C ATOM 1325 OD1 ASP A 86 2.634 1.966 -11.805 1.00 0.00 O ATOM 1326 OD2 ASP A 86 1.962 3.675 -13.064 1.00 0.00 O ATOM 0 H ASP A 86 3.099 5.693 -8.975 1.00 0.00 H new ATOM 0 HA ASP A 86 2.312 2.918 -9.480 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.570 5.108 -11.116 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.145 4.367 -11.319 1.00 0.00 H new ATOM 1331 N TYR A 87 4.498 1.862 -8.926 1.00 0.00 N ATOM 1332 CA TYR A 87 5.748 1.214 -8.568 1.00 0.00 C ATOM 1333 C TYR A 87 6.505 0.756 -9.816 1.00 0.00 C ATOM 1334 O TYR A 87 5.946 0.070 -10.669 1.00 0.00 O ATOM 1335 CB TYR A 87 5.364 -0.014 -7.740 1.00 0.00 C ATOM 1336 CG TYR A 87 6.555 -0.877 -7.318 1.00 0.00 C ATOM 1337 CD1 TYR A 87 7.242 -0.585 -6.157 1.00 0.00 C ATOM 1338 CD2 TYR A 87 6.942 -1.948 -8.098 1.00 0.00 C ATOM 1339 CE1 TYR A 87 8.363 -1.398 -5.760 1.00 0.00 C ATOM 1340 CE2 TYR A 87 8.063 -2.760 -7.701 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.718 -2.445 -6.552 1.00 0.00 C ATOM 1342 OH TYR A 87 9.777 -3.212 -6.177 1.00 0.00 O ATOM 0 H TYR A 87 3.682 1.249 -8.917 1.00 0.00 H new ATOM 0 HA TYR A 87 6.394 1.901 -8.022 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.832 0.314 -6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.671 -0.626 -8.317 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.939 0.253 -5.546 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.404 -2.177 -9.006 1.00 0.00 H new ATOM 0 HE1 TYR A 87 8.909 -1.181 -4.854 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.376 -3.600 -8.303 1.00 0.00 H new ATOM 0 HH TYR A 87 10.611 -2.731 -6.361 1.00 0.00 H new ATOM 1352 N VAL A 88 7.767 1.155 -9.882 1.00 0.00 N ATOM 1353 CA VAL A 88 8.607 0.794 -11.011 1.00 0.00 C ATOM 1354 C VAL A 88 8.964 -0.691 -10.922 1.00 0.00 C ATOM 1355 O VAL A 88 8.970 -1.268 -9.836 1.00 0.00 O ATOM 1356 CB VAL A 88 9.838 1.702 -11.059 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.939 1.088 -11.927 1.00 0.00 C ATOM 1358 CG2 VAL A 88 9.467 3.102 -11.553 1.00 0.00 C ATOM 0 H VAL A 88 8.228 1.724 -9.172 1.00 0.00 H new ATOM 0 HA VAL A 88 8.071 0.944 -11.948 1.00 0.00 H new ATOM 0 HB VAL A 88 10.225 1.796 -10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.802 1.753 -11.944 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.233 0.123 -11.514 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.567 0.950 -12.942 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.359 3.727 -11.578 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.044 3.034 -12.555 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.733 3.543 -10.878 1.00 0.00 H new ATOM 1368 N VAL A 89 9.253 -1.268 -12.080 1.00 0.00 N ATOM 1369 CA VAL A 89 9.610 -2.675 -12.146 1.00 0.00 C ATOM 1370 C VAL A 89 10.926 -2.827 -12.911 1.00 0.00 C ATOM 1371 O VAL A 89 11.024 -2.430 -14.071 1.00 0.00 O ATOM 1372 CB VAL A 89 8.463 -3.477 -12.765 1.00 0.00 C ATOM 1373 CG1 VAL A 89 8.725 -4.980 -12.658 1.00 0.00 C ATOM 1374 CG2 VAL A 89 7.125 -3.106 -12.122 1.00 0.00 C ATOM 0 H VAL A 89 9.247 -0.787 -12.979 1.00 0.00 H new ATOM 0 HA VAL A 89 9.767 -3.077 -11.145 1.00 0.00 H new ATOM 0 HB VAL A 89 8.408 -3.221 -13.823 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.895 -5.527 -13.105 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.647 -5.227 -13.184 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.820 -5.259 -11.609 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.327 -3.690 -12.580 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.163 -3.319 -11.054 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.930 -2.044 -12.274 1.00 0.00 H new ATOM 1384 N ASP A 90 11.906 -3.403 -12.230 1.00 0.00 N ATOM 1385 CA ASP A 90 13.212 -3.613 -12.830 1.00 0.00 C ATOM 1386 C ASP A 90 14.011 -4.596 -11.972 1.00 0.00 C ATOM 1387 O ASP A 90 13.593 -4.945 -10.869 1.00 0.00 O ATOM 1388 CB ASP A 90 14.000 -2.304 -12.906 1.00 0.00 C ATOM 1389 CG ASP A 90 13.367 -1.218 -13.779 1.00 0.00 C ATOM 1390 OD1 ASP A 90 12.455 -0.536 -13.263 1.00 0.00 O ATOM 1391 OD2 ASP A 90 13.809 -1.095 -14.941 1.00 0.00 O ATOM 0 H ASP A 90 11.821 -3.731 -11.268 1.00 0.00 H new ATOM 0 HA ASP A 90 13.061 -4.003 -13.837 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.122 -1.912 -11.896 1.00 0.00 H new ATOM 0 HB3 ASP A 90 14.998 -2.520 -13.287 1.00 0.00 H new ATOM 1396 N PHE A 91 15.146 -5.016 -12.511 1.00 0.00 N ATOM 1397 CA PHE A 91 16.007 -5.952 -11.809 1.00 0.00 C ATOM 1398 C PHE A 91 15.182 -6.957 -11.004 1.00 0.00 C ATOM 1399 O PHE A 91 14.148 -7.432 -11.470 1.00 0.00 O ATOM 1400 CB PHE A 91 16.870 -5.131 -10.848 1.00 0.00 C ATOM 1401 CG PHE A 91 18.236 -5.754 -10.551 1.00 0.00 C ATOM 1402 CD1 PHE A 91 19.039 -6.151 -11.574 1.00 0.00 C ATOM 1403 CD2 PHE A 91 18.647 -5.910 -9.264 1.00 0.00 C ATOM 1404 CE1 PHE A 91 20.306 -6.729 -11.299 1.00 0.00 C ATOM 1405 CE2 PHE A 91 19.915 -6.488 -8.989 1.00 0.00 C ATOM 1406 CZ PHE A 91 20.717 -6.885 -10.012 1.00 0.00 C ATOM 0 H PHE A 91 15.489 -4.725 -13.426 1.00 0.00 H new ATOM 0 HA PHE A 91 16.612 -6.510 -12.524 1.00 0.00 H new ATOM 0 HB2 PHE A 91 17.019 -4.137 -11.269 1.00 0.00 H new ATOM 0 HB3 PHE A 91 16.329 -5.002 -9.910 1.00 0.00 H new ATOM 0 HD1 PHE A 91 18.713 -6.027 -12.596 1.00 0.00 H new ATOM 0 HD2 PHE A 91 18.009 -5.595 -8.451 1.00 0.00 H new ATOM 0 HE1 PHE A 91 20.943 -7.045 -12.112 1.00 0.00 H new ATOM 0 HE2 PHE A 91 20.242 -6.612 -7.967 1.00 0.00 H new ATOM 0 HZ PHE A 91 21.681 -7.325 -9.803 1.00 0.00 H new ATOM 1416 N MET A 92 15.671 -7.253 -9.808 1.00 0.00 N ATOM 1417 CA MET A 92 14.992 -8.193 -8.933 1.00 0.00 C ATOM 1418 C MET A 92 13.966 -7.479 -8.051 1.00 0.00 C ATOM 1419 O MET A 92 13.630 -7.960 -6.970 1.00 0.00 O ATOM 1420 CB MET A 92 16.020 -8.903 -8.049 1.00 0.00 C ATOM 1421 CG MET A 92 16.192 -10.363 -8.472 1.00 0.00 C ATOM 1422 SD MET A 92 16.142 -11.424 -7.038 1.00 0.00 S ATOM 1423 CE MET A 92 17.889 -11.564 -6.696 1.00 0.00 C ATOM 0 H MET A 92 16.530 -6.858 -9.425 1.00 0.00 H new ATOM 0 HA MET A 92 14.467 -8.921 -9.551 1.00 0.00 H new ATOM 0 HB2 MET A 92 16.978 -8.387 -8.113 1.00 0.00 H new ATOM 0 HB3 MET A 92 15.702 -8.858 -7.007 1.00 0.00 H new ATOM 0 HG2 MET A 92 15.403 -10.643 -9.170 1.00 0.00 H new ATOM 0 HG3 MET A 92 17.140 -10.489 -8.995 1.00 0.00 H new ATOM 0 HE1 MET A 92 18.039 -12.199 -5.823 1.00 0.00 H new ATOM 0 HE2 MET A 92 18.394 -12.005 -7.556 1.00 0.00 H new ATOM 0 HE3 MET A 92 18.302 -10.574 -6.501 1.00 0.00 H new ATOM 1433 N GLY A 93 13.497 -6.342 -8.545 1.00 0.00 N ATOM 1434 CA GLY A 93 12.517 -5.557 -7.815 1.00 0.00 C ATOM 1435 C GLY A 93 12.692 -4.063 -8.095 1.00 0.00 C ATOM 1436 O GLY A 93 13.581 -3.423 -7.535 1.00 0.00 O ATOM 0 H GLY A 93 13.778 -5.946 -9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.512 -5.868 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.619 -5.745 -6.746 1.00 0.00 H new ATOM 1440 N GLY A 94 11.830 -3.551 -8.962 1.00 0.00 N ATOM 1441 CA GLY A 94 11.879 -2.145 -9.323 1.00 0.00 C ATOM 1442 C GLY A 94 11.787 -1.256 -8.081 1.00 0.00 C ATOM 1443 O GLY A 94 11.954 -1.732 -6.959 1.00 0.00 O ATOM 0 H GLY A 94 11.094 -4.085 -9.424 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.806 -1.935 -9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.060 -1.912 -10.003 1.00 0.00 H new ATOM 1447 N GLY A 95 11.522 0.019 -8.323 1.00 0.00 N ATOM 1448 CA GLY A 95 11.405 0.979 -7.239 1.00 0.00 C ATOM 1449 C GLY A 95 9.974 1.506 -7.123 1.00 0.00 C ATOM 1450 O GLY A 95 9.026 0.833 -7.529 1.00 0.00 O ATOM 0 H GLY A 95 11.385 0.410 -9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.700 0.510 -6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.089 1.810 -7.410 1.00 0.00 H new ATOM 1454 N PHE A 96 9.861 2.704 -6.569 1.00 0.00 N ATOM 1455 CA PHE A 96 8.560 3.328 -6.395 1.00 0.00 C ATOM 1456 C PHE A 96 8.527 4.715 -7.042 1.00 0.00 C ATOM 1457 O PHE A 96 9.480 5.483 -6.920 1.00 0.00 O ATOM 1458 CB PHE A 96 8.332 3.475 -4.890 1.00 0.00 C ATOM 1459 CG PHE A 96 8.857 2.300 -4.063 1.00 0.00 C ATOM 1460 CD1 PHE A 96 10.185 2.202 -3.787 1.00 0.00 C ATOM 1461 CD2 PHE A 96 7.995 1.352 -3.605 1.00 0.00 C ATOM 1462 CE1 PHE A 96 10.672 1.110 -3.020 1.00 0.00 C ATOM 1463 CE2 PHE A 96 8.482 0.261 -2.838 1.00 0.00 C ATOM 1464 CZ PHE A 96 9.810 0.163 -2.562 1.00 0.00 C ATOM 0 H PHE A 96 10.649 3.259 -6.235 1.00 0.00 H new ATOM 0 HA PHE A 96 7.789 2.718 -6.865 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.814 4.391 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.264 3.588 -4.704 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.869 2.954 -4.151 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.940 1.429 -3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.727 1.032 -2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.798 -0.491 -2.474 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.180 -0.667 -1.979 1.00 0.00 H new ATOM 1474 N THR A 97 7.421 4.992 -7.716 1.00 0.00 N ATOM 1475 CA THR A 97 7.251 6.272 -8.382 1.00 0.00 C ATOM 1476 C THR A 97 5.835 6.806 -8.158 1.00 0.00 C ATOM 1477 O THR A 97 4.863 6.060 -8.261 1.00 0.00 O ATOM 1478 CB THR A 97 7.605 6.088 -9.859 1.00 0.00 C ATOM 1479 OG1 THR A 97 9.025 6.201 -9.892 1.00 0.00 O ATOM 1480 CG2 THR A 97 7.118 7.249 -10.727 1.00 0.00 C ATOM 0 H THR A 97 6.633 4.352 -7.815 1.00 0.00 H new ATOM 0 HA THR A 97 7.918 7.026 -7.965 1.00 0.00 H new ATOM 0 HB THR A 97 7.171 5.157 -10.223 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.340 6.092 -10.813 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.395 7.068 -11.766 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.034 7.331 -10.650 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.577 8.176 -10.385 1.00 0.00 H new ATOM 1488 N ILE A 98 5.763 8.094 -7.857 1.00 0.00 N ATOM 1489 CA ILE A 98 4.482 8.737 -7.618 1.00 0.00 C ATOM 1490 C ILE A 98 4.297 9.882 -8.616 1.00 0.00 C ATOM 1491 O ILE A 98 5.245 10.605 -8.920 1.00 0.00 O ATOM 1492 CB ILE A 98 4.365 9.171 -6.155 1.00 0.00 C ATOM 1493 CG1 ILE A 98 3.018 9.847 -5.890 1.00 0.00 C ATOM 1494 CG2 ILE A 98 5.542 10.061 -5.751 1.00 0.00 C ATOM 1495 CD1 ILE A 98 2.253 9.129 -4.777 1.00 0.00 C ATOM 0 H ILE A 98 6.571 8.710 -7.773 1.00 0.00 H new ATOM 0 HA ILE A 98 3.666 8.034 -7.784 1.00 0.00 H new ATOM 0 HB ILE A 98 4.407 8.279 -5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.178 10.889 -5.612 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.422 9.849 -6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 98 5.434 10.355 -4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.474 9.511 -5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.557 10.952 -6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.300 9.630 -4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.073 8.094 -5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.841 9.150 -3.859 1.00 0.00 H new ATOM 1507 N ARG A 99 3.070 10.011 -9.098 1.00 0.00 N ATOM 1508 CA ARG A 99 2.748 11.056 -10.055 1.00 0.00 C ATOM 1509 C ARG A 99 1.609 11.929 -9.525 1.00 0.00 C ATOM 1510 O ARG A 99 0.448 11.522 -9.548 1.00 0.00 O ATOM 1511 CB ARG A 99 2.339 10.460 -11.404 1.00 0.00 C ATOM 1512 CG ARG A 99 3.372 10.788 -12.484 1.00 0.00 C ATOM 1513 CD ARG A 99 3.226 9.851 -13.685 1.00 0.00 C ATOM 1514 NE ARG A 99 2.052 10.246 -14.495 1.00 0.00 N ATOM 1515 CZ ARG A 99 2.020 11.318 -15.299 1.00 0.00 C ATOM 1516 NH1 ARG A 99 3.096 12.108 -15.405 1.00 0.00 N ATOM 1517 NH2 ARG A 99 0.910 11.599 -15.996 1.00 0.00 N ATOM 0 H ARG A 99 2.287 9.409 -8.844 1.00 0.00 H new ATOM 0 HA ARG A 99 3.642 11.664 -10.195 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.235 9.379 -11.311 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.364 10.850 -11.697 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.249 11.822 -12.808 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.377 10.701 -12.070 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.128 9.886 -14.296 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.113 8.822 -13.343 1.00 0.00 H new ATOM 0 HE ARG A 99 1.215 9.666 -14.438 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.940 11.894 -14.874 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.072 12.924 -16.017 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.090 10.997 -15.914 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.885 12.415 -16.608 1.00 0.00 H new ATOM 1531 N ASN A 100 1.980 13.113 -9.061 1.00 0.00 N ATOM 1532 CA ASN A 100 1.004 14.047 -8.526 1.00 0.00 C ATOM 1533 C ASN A 100 0.497 14.948 -9.653 1.00 0.00 C ATOM 1534 O ASN A 100 1.235 15.254 -10.588 1.00 0.00 O ATOM 1535 CB ASN A 100 1.628 14.939 -7.451 1.00 0.00 C ATOM 1536 CG ASN A 100 1.212 14.483 -6.051 1.00 0.00 C ATOM 1537 OD1 ASN A 100 0.084 14.659 -5.622 1.00 0.00 O ATOM 1538 ND2 ASN A 100 2.185 13.890 -5.364 1.00 0.00 N ATOM 0 H ASN A 100 2.944 13.447 -9.044 1.00 0.00 H new ATOM 0 HA ASN A 100 0.189 13.471 -8.088 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.714 14.914 -7.538 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.320 15.973 -7.607 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.008 13.551 -4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.108 13.774 -5.783 1.00 0.00 H new ATOM 1545 N PRO A 101 -0.794 15.359 -9.524 1.00 0.00 N ATOM 1546 CA PRO A 101 -1.409 16.219 -10.520 1.00 0.00 C ATOM 1547 C PRO A 101 -0.902 17.657 -10.391 1.00 0.00 C ATOM 1548 O PRO A 101 -1.530 18.484 -9.732 1.00 0.00 O ATOM 1549 CB PRO A 101 -2.904 16.093 -10.280 1.00 0.00 C ATOM 1550 CG PRO A 101 -3.055 15.538 -8.873 1.00 0.00 C ATOM 1551 CD PRO A 101 -1.697 15.016 -8.429 1.00 0.00 C ATOM 0 HA PRO A 101 -1.157 15.928 -11.540 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -3.397 17.060 -10.373 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.363 15.429 -11.013 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.407 16.313 -8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.796 14.738 -8.856 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.381 15.479 -7.494 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.722 13.940 -8.259 1.00 0.00 H new TER 1559 PRO A 101