USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 817 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 5 MET CE :methyl -164:sc= 0 (180deg=0) USER MOD Set 1.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -65:sc= 0.494 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.028 X(o=-0.028,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 131:sc= 0.109 USER MOD Single : A 65 ASN : amide:sc= 0.408 K(o=0.41,f=-0.89) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 43:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.709 -31.614 -6.666 1.00 0.00 N ATOM 2 CA GLY A 1 -10.156 -30.335 -6.039 1.00 0.00 C ATOM 3 C GLY A 1 -9.101 -29.724 -5.124 1.00 0.00 C ATOM 4 O GLY A 1 -9.023 -30.105 -3.925 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.465 -31.984 -7.277 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.856 -31.442 -7.236 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.494 -32.309 -5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.408 -29.621 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.066 -30.515 -5.467 1.00 0.00 H new ATOM 10 N ALA A 2 -8.273 -28.735 -5.730 1.00 0.00 N ATOM 11 CA ALA A 2 -7.139 -27.951 -5.055 1.00 0.00 C ATOM 12 C ALA A 2 -7.508 -26.423 -4.815 1.00 0.00 C ATOM 13 O ALA A 2 -8.061 -25.730 -5.744 1.00 0.00 O ATOM 14 CB ALA A 2 -5.797 -28.110 -5.862 1.00 0.00 C ATOM 0 H ALA A 2 -8.390 -28.472 -6.708 1.00 0.00 H new ATOM 0 HA ALA A 2 -6.993 -28.382 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.006 -27.547 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.520 -29.163 -5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.934 -27.730 -6.874 1.00 0.00 H new ATOM 20 N MET A 3 -7.212 -25.925 -3.506 1.00 0.00 N ATOM 21 CA MET A 3 -7.473 -24.488 -2.999 1.00 0.00 C ATOM 22 C MET A 3 -6.179 -23.599 -2.877 1.00 0.00 C ATOM 23 O MET A 3 -5.167 -23.980 -2.198 1.00 0.00 O ATOM 24 CB MET A 3 -8.388 -24.429 -1.689 1.00 0.00 C ATOM 25 CG MET A 3 -9.901 -24.523 -1.956 1.00 0.00 C ATOM 26 SD MET A 3 -10.887 -24.609 -0.450 1.00 0.00 S ATOM 27 CE MET A 3 -12.542 -24.692 -1.132 1.00 0.00 C ATOM 0 H MET A 3 -6.789 -26.517 -2.791 1.00 0.00 H new ATOM 0 HA MET A 3 -8.059 -24.029 -3.795 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.099 -25.243 -1.024 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.183 -23.498 -1.161 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.215 -23.657 -2.538 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.101 -25.405 -2.564 1.00 0.00 H new ATOM 0 HE1 MET A 3 -13.267 -24.750 -0.321 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.735 -23.800 -1.729 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.632 -25.577 -1.762 1.00 0.00 H new ATOM 37 N GLU A 4 -6.259 -22.407 -3.622 1.00 0.00 N ATOM 38 CA GLU A 4 -5.204 -21.298 -3.752 1.00 0.00 C ATOM 39 C GLU A 4 -5.697 -19.864 -3.238 1.00 0.00 C ATOM 40 O GLU A 4 -6.937 -19.592 -3.200 1.00 0.00 O ATOM 41 CB GLU A 4 -4.456 -21.264 -5.214 1.00 0.00 C ATOM 42 CG GLU A 4 -5.326 -21.216 -6.533 1.00 0.00 C ATOM 43 CD GLU A 4 -4.517 -21.186 -7.851 1.00 0.00 C ATOM 44 OE1 GLU A 4 -4.183 -20.069 -8.333 1.00 0.00 O ATOM 45 OE2 GLU A 4 -4.244 -22.279 -8.416 1.00 0.00 O ATOM 0 H GLU A 4 -7.094 -22.190 -4.166 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.421 -21.580 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.799 -20.394 -5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.818 -22.146 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.984 -22.085 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.965 -20.334 -6.497 1.00 0.00 H new ATOM 52 N MET A 5 -4.663 -18.949 -2.861 1.00 0.00 N ATOM 53 CA MET A 5 -4.844 -17.499 -2.326 1.00 0.00 C ATOM 54 C MET A 5 -5.333 -16.418 -3.434 1.00 0.00 C ATOM 55 O MET A 5 -5.050 -16.593 -4.659 1.00 0.00 O ATOM 56 CB MET A 5 -3.616 -17.015 -1.353 1.00 0.00 C ATOM 57 CG MET A 5 -2.162 -16.983 -1.917 1.00 0.00 C ATOM 58 SD MET A 5 -0.930 -16.624 -0.645 1.00 0.00 S ATOM 59 CE MET A 5 0.589 -16.760 -1.584 1.00 0.00 C ATOM 0 H MET A 5 -3.679 -19.210 -2.925 1.00 0.00 H new ATOM 0 HA MET A 5 -5.708 -17.544 -1.663 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.853 -16.011 -1.001 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.614 -17.667 -0.479 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.934 -17.944 -2.377 1.00 0.00 H new ATOM 0 HG3 MET A 5 -2.098 -16.230 -2.703 1.00 0.00 H new ATOM 0 HE1 MET A 5 1.433 -16.848 -0.900 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.545 -17.643 -2.222 1.00 0.00 H new ATOM 0 HE3 MET A 5 0.715 -15.872 -2.203 1.00 0.00 H new ATOM 69 N GLU A 6 -6.024 -15.300 -2.921 1.00 0.00 N ATOM 70 CA GLU A 6 -6.813 -14.268 -3.752 1.00 0.00 C ATOM 71 C GLU A 6 -6.225 -12.811 -3.726 1.00 0.00 C ATOM 72 O GLU A 6 -6.090 -12.188 -2.641 1.00 0.00 O ATOM 73 CB GLU A 6 -8.455 -14.361 -3.590 1.00 0.00 C ATOM 74 CG GLU A 6 -9.112 -14.292 -2.128 1.00 0.00 C ATOM 75 CD GLU A 6 -10.652 -14.403 -2.113 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.335 -13.345 -2.182 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.175 -15.545 -2.003 1.00 0.00 O ATOM 0 H GLU A 6 -6.046 -15.094 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.643 -14.586 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.887 -13.553 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.775 -15.297 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.696 -15.094 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.823 -13.352 -1.658 1.00 0.00 H new ATOM 84 N TYR A 7 -5.854 -12.319 -4.988 1.00 0.00 N ATOM 85 CA TYR A 7 -5.209 -10.954 -5.283 1.00 0.00 C ATOM 86 C TYR A 7 -6.190 -9.943 -6.003 1.00 0.00 C ATOM 87 O TYR A 7 -7.069 -10.365 -6.833 1.00 0.00 O ATOM 88 CB TYR A 7 -3.856 -11.133 -6.161 1.00 0.00 C ATOM 89 CG TYR A 7 -2.671 -12.014 -5.596 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.628 -13.409 -5.789 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.606 -11.425 -4.930 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.576 -14.165 -5.337 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.533 -12.188 -4.466 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.523 -13.554 -4.680 1.00 0.00 C ATOM 95 OH TYR A 7 0.536 -14.308 -4.230 1.00 0.00 O ATOM 0 H TYR A 7 -5.997 -12.867 -5.836 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.961 -10.522 -4.314 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.145 -11.554 -7.124 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.458 -10.137 -6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.443 -13.895 -6.305 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.607 -10.357 -4.768 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.570 -15.234 -5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.284 -11.714 -3.943 1.00 0.00 H new ATOM 0 HH TYR A 7 1.190 -13.725 -3.792 1.00 0.00 H new ATOM 105 N GLU A 8 -6.012 -8.578 -5.638 1.00 0.00 N ATOM 106 CA GLU A 8 -6.800 -7.380 -6.208 1.00 0.00 C ATOM 107 C GLU A 8 -5.876 -6.267 -6.820 1.00 0.00 C ATOM 108 O GLU A 8 -4.852 -5.846 -6.188 1.00 0.00 O ATOM 109 CB GLU A 8 -7.835 -6.737 -5.170 1.00 0.00 C ATOM 110 CG GLU A 8 -9.328 -7.098 -5.389 1.00 0.00 C ATOM 111 CD GLU A 8 -10.317 -6.357 -4.451 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.610 -6.882 -3.342 1.00 0.00 O ATOM 113 OE2 GLU A 8 -10.820 -5.268 -4.842 1.00 0.00 O ATOM 0 H GLU A 8 -5.320 -8.293 -4.945 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.385 -7.812 -7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.550 -7.046 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.734 -5.652 -5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.594 -6.877 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.452 -8.172 -5.251 1.00 0.00 H new ATOM 120 N GLU A 9 -6.258 -5.834 -8.121 1.00 0.00 N ATOM 121 CA GLU A 9 -5.653 -4.668 -8.881 1.00 0.00 C ATOM 122 C GLU A 9 -6.637 -3.411 -8.928 1.00 0.00 C ATOM 123 O GLU A 9 -7.729 -3.470 -9.600 1.00 0.00 O ATOM 124 CB GLU A 9 -4.986 -5.076 -10.319 1.00 0.00 C ATOM 125 CG GLU A 9 -5.872 -5.800 -11.457 1.00 0.00 C ATOM 126 CD GLU A 9 -5.101 -6.126 -12.754 1.00 0.00 C ATOM 127 OE1 GLU A 9 -4.535 -7.248 -12.854 1.00 0.00 O ATOM 128 OE2 GLU A 9 -5.092 -5.272 -13.681 1.00 0.00 O ATOM 0 H GLU A 9 -6.996 -6.301 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.790 -4.340 -8.302 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.583 -4.163 -10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.139 -5.729 -10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.280 -6.725 -11.049 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.719 -5.159 -11.703 1.00 0.00 H new ATOM 135 N ILE A 10 -6.238 -2.302 -8.142 1.00 0.00 N ATOM 136 CA ILE A 10 -7.047 -0.980 -8.013 1.00 0.00 C ATOM 137 C ILE A 10 -6.273 0.230 -8.774 1.00 0.00 C ATOM 138 O ILE A 10 -5.017 0.333 -8.710 1.00 0.00 O ATOM 139 CB ILE A 10 -7.463 -0.653 -6.372 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.356 -1.840 -5.723 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.173 0.788 -6.083 1.00 0.00 C ATOM 142 CD1 ILE A 10 -8.019 -2.218 -4.244 1.00 0.00 C ATOM 0 H ILE A 10 -5.375 -2.298 -7.598 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.005 -1.087 -8.521 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.490 -0.602 -5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.405 -1.548 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.244 -2.732 -6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.388 0.881 -5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.503 1.592 -6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.103 0.855 -6.648 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.678 -3.022 -3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.982 -2.549 -4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.162 -1.347 -3.604 1.00 0.00 H new ATOM 154 N THR A 11 -7.122 1.098 -9.502 1.00 0.00 N ATOM 155 CA THR A 11 -6.720 2.420 -10.166 1.00 0.00 C ATOM 156 C THR A 11 -7.345 3.667 -9.446 1.00 0.00 C ATOM 157 O THR A 11 -8.611 3.792 -9.308 1.00 0.00 O ATOM 158 CB THR A 11 -6.927 2.530 -11.770 1.00 0.00 C ATOM 159 OG1 THR A 11 -7.897 1.604 -12.304 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.599 2.474 -12.542 1.00 0.00 C ATOM 0 H THR A 11 -8.110 0.885 -9.638 1.00 0.00 H new ATOM 0 HA THR A 11 -5.638 2.420 -10.032 1.00 0.00 H new ATOM 0 HB THR A 11 -7.352 3.522 -11.926 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.970 1.729 -13.273 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.796 2.552 -13.611 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.961 3.301 -12.229 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.097 1.529 -12.334 1.00 0.00 H new ATOM 168 N LEU A 12 -6.378 4.556 -8.956 1.00 0.00 N ATOM 169 CA LEU A 12 -6.623 5.883 -8.265 1.00 0.00 C ATOM 170 C LEU A 12 -6.030 7.102 -9.060 1.00 0.00 C ATOM 171 O LEU A 12 -4.962 6.981 -9.735 1.00 0.00 O ATOM 172 CB LEU A 12 -6.067 5.888 -6.723 1.00 0.00 C ATOM 173 CG LEU A 12 -6.885 5.216 -5.530 1.00 0.00 C ATOM 174 CD1 LEU A 12 -5.980 5.119 -4.336 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.169 6.019 -5.108 1.00 0.00 C ATOM 0 H LEU A 12 -5.382 4.351 -9.040 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.706 6.002 -8.239 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.087 5.412 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.910 6.931 -6.448 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.221 4.242 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.520 4.662 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.113 4.508 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.650 6.117 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.671 5.499 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.882 7.018 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.845 6.097 -5.959 1.00 0.00 H new ATOM 187 N GLU A 13 -6.799 8.292 -8.983 1.00 0.00 N ATOM 188 CA GLU A 13 -6.390 9.681 -9.515 1.00 0.00 C ATOM 189 C GLU A 13 -5.801 10.519 -8.303 1.00 0.00 C ATOM 190 O GLU A 13 -6.480 10.674 -7.223 1.00 0.00 O ATOM 191 CB GLU A 13 -7.604 10.479 -10.220 1.00 0.00 C ATOM 192 CG GLU A 13 -8.263 9.849 -11.483 1.00 0.00 C ATOM 193 CD GLU A 13 -9.490 10.614 -12.033 1.00 0.00 C ATOM 194 OE1 GLU A 13 -9.304 11.506 -12.906 1.00 0.00 O ATOM 195 OE2 GLU A 13 -10.639 10.299 -11.614 1.00 0.00 O ATOM 0 H GLU A 13 -7.721 8.303 -8.547 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.641 9.540 -10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.385 10.624 -9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.238 11.468 -10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.513 9.783 -12.271 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.566 8.829 -11.245 1.00 0.00 H new ATOM 202 N ARG A 14 -4.488 11.047 -8.504 1.00 0.00 N ATOM 203 CA ARG A 14 -3.573 11.785 -7.478 1.00 0.00 C ATOM 204 C ARG A 14 -4.271 13.095 -6.841 1.00 0.00 C ATOM 205 O ARG A 14 -4.487 14.145 -7.537 1.00 0.00 O ATOM 206 CB ARG A 14 -2.102 12.026 -8.166 1.00 0.00 C ATOM 207 CG ARG A 14 -0.798 12.335 -7.251 1.00 0.00 C ATOM 208 CD ARG A 14 -0.563 13.844 -6.823 1.00 0.00 C ATOM 209 NE ARG A 14 -0.140 14.771 -7.979 1.00 0.00 N ATOM 210 CZ ARG A 14 0.213 16.143 -7.957 1.00 0.00 C ATOM 211 NH1 ARG A 14 0.243 16.916 -6.823 1.00 0.00 N ATOM 212 NH2 ARG A 14 0.539 16.721 -9.107 1.00 0.00 N ATOM 0 H ARG A 14 -4.031 10.965 -9.412 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.415 11.160 -6.599 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.876 11.139 -8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.207 12.856 -8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.869 11.733 -6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.085 11.995 -7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.480 14.231 -6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.203 13.875 -6.049 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.110 14.331 -8.899 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.001 16.507 -5.920 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.507 17.899 -6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.530 16.179 -9.971 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.798 17.707 -9.127 1.00 0.00 H new ATOM 226 N GLY A 15 -4.646 12.914 -5.484 1.00 0.00 N ATOM 227 CA GLY A 15 -5.469 13.904 -4.638 1.00 0.00 C ATOM 228 C GLY A 15 -4.780 15.217 -4.141 1.00 0.00 C ATOM 229 O GLY A 15 -3.540 15.245 -3.907 1.00 0.00 O ATOM 0 H GLY A 15 -4.382 12.080 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.344 14.190 -5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.832 13.368 -3.761 1.00 0.00 H new ATOM 233 N ASN A 16 -5.671 16.309 -3.978 1.00 0.00 N ATOM 234 CA ASN A 16 -5.332 17.744 -3.452 1.00 0.00 C ATOM 235 C ASN A 16 -5.265 17.852 -1.847 1.00 0.00 C ATOM 236 O ASN A 16 -4.511 18.719 -1.304 1.00 0.00 O ATOM 237 CB ASN A 16 -6.317 18.860 -4.075 1.00 0.00 C ATOM 238 CG ASN A 16 -6.164 19.197 -5.612 1.00 0.00 C ATOM 239 OD1 ASN A 16 -5.829 18.345 -6.467 1.00 0.00 O ATOM 240 ND2 ASN A 16 -6.411 20.458 -5.944 1.00 0.00 N ATOM 0 H ASN A 16 -6.660 16.218 -4.211 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.321 17.947 -3.806 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.343 18.536 -3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.176 19.783 -3.513 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.330 20.755 -6.917 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.682 21.131 -5.227 1.00 0.00 H new ATOM 247 N SER A 17 -6.062 16.900 -1.115 1.00 0.00 N ATOM 248 CA SER A 17 -6.065 16.669 0.408 1.00 0.00 C ATOM 249 C SER A 17 -4.961 15.574 0.883 1.00 0.00 C ATOM 250 O SER A 17 -4.530 15.600 2.085 1.00 0.00 O ATOM 251 CB SER A 17 -7.514 16.279 0.911 1.00 0.00 C ATOM 252 OG SER A 17 -8.451 17.341 0.728 1.00 0.00 O ATOM 0 H SER A 17 -6.716 16.281 -1.594 1.00 0.00 H new ATOM 0 HA SER A 17 -5.778 17.612 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.858 15.396 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.471 16.012 1.967 1.00 0.00 H new ATOM 0 HG SER A 17 -9.333 17.058 1.050 1.00 0.00 H new ATOM 258 N GLY A 18 -4.491 14.648 -0.132 1.00 0.00 N ATOM 259 CA GLY A 18 -3.378 13.645 0.036 1.00 0.00 C ATOM 260 C GLY A 18 -3.844 12.188 0.019 1.00 0.00 C ATOM 261 O GLY A 18 -3.487 11.416 0.935 1.00 0.00 O ATOM 0 H GLY A 18 -4.904 14.618 -1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.648 13.791 -0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.866 13.841 0.978 1.00 0.00 H new ATOM 265 N LEU A 19 -4.671 11.809 -1.112 1.00 0.00 N ATOM 266 CA LEU A 19 -5.326 10.434 -1.441 1.00 0.00 C ATOM 267 C LEU A 19 -6.454 9.838 -0.494 1.00 0.00 C ATOM 268 O LEU A 19 -7.436 9.259 -1.015 1.00 0.00 O ATOM 269 CB LEU A 19 -4.296 9.288 -2.042 1.00 0.00 C ATOM 270 CG LEU A 19 -3.950 9.120 -3.570 1.00 0.00 C ATOM 271 CD1 LEU A 19 -5.092 8.957 -4.560 1.00 0.00 C ATOM 272 CD2 LEU A 19 -2.827 9.982 -4.051 1.00 0.00 C ATOM 0 H LEU A 19 -4.894 12.496 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.947 10.780 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.345 9.437 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.688 8.326 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.561 8.102 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.688 8.853 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.669 8.067 -4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.739 9.833 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.658 9.801 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.082 11.031 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.921 9.744 -3.494 1.00 0.00 H new ATOM 284 N GLY A 20 -6.257 9.969 0.885 1.00 0.00 N ATOM 285 CA GLY A 20 -7.226 9.510 1.967 1.00 0.00 C ATOM 286 C GLY A 20 -6.815 8.230 2.752 1.00 0.00 C ATOM 287 O GLY A 20 -7.712 7.529 3.280 1.00 0.00 O ATOM 0 H GLY A 20 -5.416 10.399 1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.355 10.324 2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.198 9.333 1.506 1.00 0.00 H new ATOM 291 N PHE A 21 -5.407 7.933 2.813 1.00 0.00 N ATOM 292 CA PHE A 21 -4.707 6.790 3.544 1.00 0.00 C ATOM 293 C PHE A 21 -3.175 7.221 3.886 1.00 0.00 C ATOM 294 O PHE A 21 -2.719 8.321 3.418 1.00 0.00 O ATOM 295 CB PHE A 21 -4.811 5.353 2.683 1.00 0.00 C ATOM 296 CG PHE A 21 -4.043 5.135 1.276 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.480 5.739 0.064 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.937 4.284 1.213 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.822 5.497 -1.154 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.288 4.039 -0.005 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.731 4.646 -1.177 1.00 0.00 C ATOM 0 H PHE A 21 -4.734 8.524 2.326 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.216 6.600 4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.472 4.562 3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.870 5.177 2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.336 6.398 0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.578 3.809 2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.164 5.970 -2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.437 3.374 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.221 4.452 -2.109 1.00 0.00 H new ATOM 311 N SER A 22 -2.403 6.388 4.785 1.00 0.00 N ATOM 312 CA SER A 22 -0.883 6.491 4.960 1.00 0.00 C ATOM 313 C SER A 22 -0.218 5.062 4.963 1.00 0.00 C ATOM 314 O SER A 22 -0.823 4.069 5.507 1.00 0.00 O ATOM 315 CB SER A 22 -0.442 7.349 6.207 1.00 0.00 C ATOM 316 OG SER A 22 -0.890 8.697 6.141 1.00 0.00 O ATOM 0 H SER A 22 -2.827 5.668 5.369 1.00 0.00 H new ATOM 0 HA SER A 22 -0.513 7.039 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.830 6.887 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.645 7.337 6.283 1.00 0.00 H new ATOM 0 HG SER A 22 -0.453 9.151 5.390 1.00 0.00 H new ATOM 322 N ILE A 23 1.071 4.963 4.342 1.00 0.00 N ATOM 323 CA ILE A 23 1.879 3.640 4.131 1.00 0.00 C ATOM 324 C ILE A 23 3.291 3.504 4.765 1.00 0.00 C ATOM 325 O ILE A 23 4.180 4.373 4.576 1.00 0.00 O ATOM 326 CB ILE A 23 1.807 2.943 2.650 1.00 0.00 C ATOM 327 CG1 ILE A 23 1.887 3.882 1.318 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.552 2.143 2.635 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.198 4.673 0.977 1.00 0.00 C ATOM 0 H ILE A 23 1.562 5.782 3.984 1.00 0.00 H new ATOM 0 HA ILE A 23 1.248 3.038 4.785 1.00 0.00 H new ATOM 0 HB ILE A 23 2.731 2.372 2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.664 3.245 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.081 4.612 1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.446 1.651 1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.591 1.391 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.301 2.801 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.053 5.237 0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.430 5.360 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.023 3.972 0.848 1.00 0.00 H new ATOM 341 N ALA A 24 3.455 2.297 5.529 1.00 0.00 N ATOM 342 CA ALA A 24 4.708 1.893 6.279 1.00 0.00 C ATOM 343 C ALA A 24 5.558 0.829 5.475 1.00 0.00 C ATOM 344 O ALA A 24 5.075 -0.307 5.170 1.00 0.00 O ATOM 345 CB ALA A 24 4.351 1.410 7.726 1.00 0.00 C ATOM 0 H ALA A 24 2.707 1.609 5.618 1.00 0.00 H new ATOM 0 HA ALA A 24 5.345 2.772 6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.263 1.124 8.250 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.859 2.218 8.268 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.682 0.552 7.668 1.00 0.00 H new ATOM 351 N GLY A 25 6.831 1.275 5.137 1.00 0.00 N ATOM 352 CA GLY A 25 7.873 0.500 4.362 1.00 0.00 C ATOM 353 C GLY A 25 9.283 0.630 4.958 1.00 0.00 C ATOM 354 O GLY A 25 9.547 1.627 5.735 1.00 0.00 O ATOM 0 H GLY A 25 7.160 2.203 5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.591 -0.553 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.887 0.851 3.330 1.00 0.00 H new ATOM 358 N GLY A 26 10.204 -0.383 4.606 1.00 0.00 N ATOM 359 CA GLY A 26 11.591 -0.377 5.203 1.00 0.00 C ATOM 360 C GLY A 26 12.567 -1.483 4.870 1.00 0.00 C ATOM 361 O GLY A 26 12.271 -2.678 5.103 1.00 0.00 O ATOM 0 H GLY A 26 10.011 -1.149 3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.061 0.565 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.476 -0.363 6.287 1.00 0.00 H new ATOM 365 N THR A 27 13.754 -1.034 4.271 1.00 0.00 N ATOM 366 CA THR A 27 15.083 -1.838 4.191 1.00 0.00 C ATOM 367 C THR A 27 16.190 -1.331 5.213 1.00 0.00 C ATOM 368 O THR A 27 16.921 -2.185 5.808 1.00 0.00 O ATOM 369 CB THR A 27 15.726 -2.074 2.733 1.00 0.00 C ATOM 370 OG1 THR A 27 15.739 -0.897 1.909 1.00 0.00 O ATOM 371 CG2 THR A 27 15.125 -3.280 2.008 1.00 0.00 C ATOM 0 H THR A 27 13.824 -0.116 3.832 1.00 0.00 H new ATOM 0 HA THR A 27 14.737 -2.827 4.493 1.00 0.00 H new ATOM 0 HB THR A 27 16.773 -2.311 2.923 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.143 -1.109 1.042 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.597 -3.390 1.031 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.296 -4.181 2.597 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.053 -3.130 1.878 1.00 0.00 H new ATOM 379 N ASP A 28 16.258 0.087 5.424 1.00 0.00 N ATOM 380 CA ASP A 28 17.232 0.798 6.381 1.00 0.00 C ATOM 381 C ASP A 28 16.528 1.347 7.710 1.00 0.00 C ATOM 382 O ASP A 28 17.151 1.285 8.814 1.00 0.00 O ATOM 383 CB ASP A 28 18.103 1.947 5.655 1.00 0.00 C ATOM 384 CG ASP A 28 19.168 1.447 4.640 1.00 0.00 C ATOM 385 OD1 ASP A 28 20.327 1.204 5.058 1.00 0.00 O ATOM 386 OD2 ASP A 28 18.835 1.318 3.436 1.00 0.00 O ATOM 0 H ASP A 28 15.643 0.737 4.935 1.00 0.00 H new ATOM 0 HA ASP A 28 17.929 0.022 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.421 2.620 5.136 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.607 2.534 6.423 1.00 0.00 H new ATOM 391 N ASN A 29 15.185 1.849 7.565 1.00 0.00 N ATOM 392 CA ASN A 29 14.309 2.456 8.651 1.00 0.00 C ATOM 393 C ASN A 29 13.178 1.422 9.238 1.00 0.00 C ATOM 394 O ASN A 29 12.339 0.930 8.415 1.00 0.00 O ATOM 395 CB ASN A 29 13.686 3.882 8.219 1.00 0.00 C ATOM 396 CG ASN A 29 14.699 5.070 8.199 1.00 0.00 C ATOM 397 OD1 ASN A 29 15.350 5.332 7.180 1.00 0.00 O ATOM 398 ND2 ASN A 29 14.799 5.803 9.318 1.00 0.00 N ATOM 0 H ASN A 29 14.708 1.826 6.663 1.00 0.00 H new ATOM 0 HA ASN A 29 14.979 2.652 9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.247 3.783 7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.874 4.129 8.904 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.427 6.606 9.347 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.247 5.557 10.140 1.00 0.00 H new ATOM 405 N PRO A 30 13.157 1.005 10.733 1.00 0.00 N ATOM 406 CA PRO A 30 12.052 0.093 11.372 1.00 0.00 C ATOM 407 C PRO A 30 10.546 0.689 11.451 1.00 0.00 C ATOM 408 O PRO A 30 10.347 1.942 11.498 1.00 0.00 O ATOM 409 CB PRO A 30 12.587 -0.226 12.820 1.00 0.00 C ATOM 410 CG PRO A 30 14.041 0.203 12.852 1.00 0.00 C ATOM 411 CD PRO A 30 14.227 1.295 11.814 1.00 0.00 C ATOM 0 HA PRO A 30 11.919 -0.772 10.723 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.009 0.310 13.573 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.492 -1.289 13.042 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.309 0.569 13.843 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.694 -0.643 12.637 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.088 2.284 12.252 1.00 0.00 H new ATOM 0 HD3 PRO A 30 15.232 1.271 11.392 1.00 0.00 H new ATOM 419 N HIS A 31 9.533 -0.297 11.411 1.00 0.00 N ATOM 420 CA HIS A 31 8.042 -0.113 11.535 1.00 0.00 C ATOM 421 C HIS A 31 7.457 -0.581 12.982 1.00 0.00 C ATOM 422 O HIS A 31 6.729 0.213 13.620 1.00 0.00 O ATOM 423 CB HIS A 31 7.328 -0.815 10.206 1.00 0.00 C ATOM 424 CG HIS A 31 5.807 -1.260 10.222 1.00 0.00 C ATOM 425 ND1 HIS A 31 4.741 -0.445 10.593 1.00 0.00 N ATOM 426 CD2 HIS A 31 5.263 -2.463 9.957 1.00 0.00 C ATOM 427 CE1 HIS A 31 3.612 -1.145 10.547 1.00 0.00 C ATOM 428 NE2 HIS A 31 3.903 -2.366 10.163 1.00 0.00 N ATOM 0 H HIS A 31 9.774 -1.280 11.284 1.00 0.00 H new ATOM 0 HA HIS A 31 7.786 0.946 11.526 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.445 -0.117 9.377 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.915 -1.701 9.962 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.797 -3.347 9.640 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.626 -0.774 10.784 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.230 -3.122 10.037 1.00 0.00 H new ATOM 437 N ILE A 32 7.845 -1.863 13.441 1.00 0.00 N ATOM 438 CA ILE A 32 7.182 -2.667 14.619 1.00 0.00 C ATOM 439 C ILE A 32 8.217 -3.253 15.671 1.00 0.00 C ATOM 440 O ILE A 32 8.065 -3.042 16.904 1.00 0.00 O ATOM 441 CB ILE A 32 5.992 -3.822 14.125 1.00 0.00 C ATOM 442 CG1 ILE A 32 6.344 -4.833 12.922 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.716 -3.151 13.728 1.00 0.00 C ATOM 444 CD1 ILE A 32 7.196 -6.044 13.224 1.00 0.00 C ATOM 0 H ILE A 32 8.619 -2.372 13.014 1.00 0.00 H new ATOM 0 HA ILE A 32 6.622 -1.904 15.159 1.00 0.00 H new ATOM 0 HB ILE A 32 5.926 -4.429 15.028 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.403 -5.186 12.500 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.847 -4.260 12.143 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.989 -3.903 13.423 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.322 -2.588 14.574 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.905 -2.472 12.897 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.342 -6.623 12.312 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.164 -5.721 13.608 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.697 -6.663 13.970 1.00 0.00 H new ATOM 456 N GLY A 33 9.227 -3.978 15.093 1.00 0.00 N ATOM 457 CA GLY A 33 10.393 -4.651 15.748 1.00 0.00 C ATOM 458 C GLY A 33 11.517 -5.003 14.758 1.00 0.00 C ATOM 459 O GLY A 33 12.196 -6.035 14.933 1.00 0.00 O ATOM 0 H GLY A 33 9.246 -4.116 14.083 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.792 -4.000 16.526 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.051 -5.562 16.240 1.00 0.00 H new ATOM 463 N ASP A 34 11.692 -4.073 13.651 1.00 0.00 N ATOM 464 CA ASP A 34 12.681 -4.106 12.431 1.00 0.00 C ATOM 465 C ASP A 34 12.128 -5.087 11.288 1.00 0.00 C ATOM 466 O ASP A 34 12.588 -6.269 11.119 1.00 0.00 O ATOM 467 CB ASP A 34 14.309 -4.212 12.819 1.00 0.00 C ATOM 468 CG ASP A 34 15.338 -3.886 11.687 1.00 0.00 C ATOM 469 OD1 ASP A 34 15.735 -4.821 10.955 1.00 0.00 O ATOM 470 OD2 ASP A 34 15.733 -2.705 11.560 1.00 0.00 O ATOM 0 H ASP A 34 11.104 -3.241 13.602 1.00 0.00 H new ATOM 0 HA ASP A 34 12.686 -3.113 11.982 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.501 -3.539 13.654 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.506 -5.224 13.173 1.00 0.00 H new ATOM 475 N ASP A 35 11.017 -4.541 10.607 1.00 0.00 N ATOM 476 CA ASP A 35 10.193 -5.234 9.508 1.00 0.00 C ATOM 477 C ASP A 35 10.748 -4.954 7.950 1.00 0.00 C ATOM 478 O ASP A 35 10.926 -3.754 7.590 1.00 0.00 O ATOM 479 CB ASP A 35 8.627 -4.894 9.715 1.00 0.00 C ATOM 480 CG ASP A 35 7.604 -5.832 9.004 1.00 0.00 C ATOM 481 OD1 ASP A 35 7.257 -5.558 7.834 1.00 0.00 O ATOM 482 OD2 ASP A 35 7.162 -6.822 9.635 1.00 0.00 O ATOM 0 H ASP A 35 10.673 -3.603 10.812 1.00 0.00 H new ATOM 0 HA ASP A 35 10.327 -6.310 9.620 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.415 -4.908 10.784 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.452 -3.875 9.369 1.00 0.00 H new ATOM 487 N PRO A 36 11.065 -6.141 7.000 1.00 0.00 N ATOM 488 CA PRO A 36 11.482 -5.980 5.502 1.00 0.00 C ATOM 489 C PRO A 36 10.305 -5.625 4.401 1.00 0.00 C ATOM 490 O PRO A 36 10.608 -4.944 3.379 1.00 0.00 O ATOM 491 CB PRO A 36 12.192 -7.362 5.167 1.00 0.00 C ATOM 492 CG PRO A 36 12.319 -8.114 6.476 1.00 0.00 C ATOM 493 CD PRO A 36 11.170 -7.656 7.341 1.00 0.00 C ATOM 0 HA PRO A 36 12.107 -5.092 5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.606 -7.934 4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.172 -7.195 4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.277 -9.191 6.312 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.275 -7.902 6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.249 -8.189 7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.371 -7.819 8.400 1.00 0.00 H new ATOM 501 N SER A 37 8.972 -6.088 4.695 1.00 0.00 N ATOM 502 CA SER A 37 7.711 -5.952 3.792 1.00 0.00 C ATOM 503 C SER A 37 6.846 -4.624 4.071 1.00 0.00 C ATOM 504 O SER A 37 6.867 -4.085 5.225 1.00 0.00 O ATOM 505 CB SER A 37 6.817 -7.259 3.909 1.00 0.00 C ATOM 506 OG SER A 37 7.484 -8.413 3.398 1.00 0.00 O ATOM 0 H SER A 37 8.761 -6.565 5.572 1.00 0.00 H new ATOM 0 HA SER A 37 8.071 -5.846 2.768 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.554 -7.426 4.954 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.884 -7.110 3.365 1.00 0.00 H new ATOM 0 HG SER A 37 6.901 -9.195 3.490 1.00 0.00 H new ATOM 512 N ILE A 38 6.074 -4.109 2.954 1.00 0.00 N ATOM 513 CA ILE A 38 5.213 -2.825 2.973 1.00 0.00 C ATOM 514 C ILE A 38 3.661 -3.190 3.374 1.00 0.00 C ATOM 515 O ILE A 38 2.984 -3.981 2.660 1.00 0.00 O ATOM 516 CB ILE A 38 5.345 -1.849 1.526 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.803 -1.790 0.656 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.822 -0.367 1.690 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.228 -1.951 1.360 1.00 0.00 C ATOM 0 H ILE A 38 6.051 -4.582 2.051 1.00 0.00 H new ATOM 0 HA ILE A 38 5.620 -2.178 3.750 1.00 0.00 H new ATOM 0 HB ILE A 38 4.682 -2.458 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.743 -2.566 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.818 -0.832 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.941 0.167 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.768 -0.382 1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.396 0.137 2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.015 -1.880 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.360 -1.161 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.283 -2.922 1.852 1.00 0.00 H new ATOM 531 N PHE A 39 3.187 -2.558 4.561 1.00 0.00 N ATOM 532 CA PHE A 39 1.809 -2.733 5.239 1.00 0.00 C ATOM 533 C PHE A 39 1.015 -1.347 5.362 1.00 0.00 C ATOM 534 O PHE A 39 1.656 -0.214 5.378 1.00 0.00 O ATOM 535 CB PHE A 39 1.930 -3.353 6.766 1.00 0.00 C ATOM 536 CG PHE A 39 2.389 -4.838 7.067 1.00 0.00 C ATOM 537 CD1 PHE A 39 1.623 -5.969 6.697 1.00 0.00 C ATOM 538 CD2 PHE A 39 3.543 -5.064 7.810 1.00 0.00 C ATOM 539 CE1 PHE A 39 2.029 -7.254 7.046 1.00 0.00 C ATOM 540 CE2 PHE A 39 3.938 -6.346 8.172 1.00 0.00 C ATOM 541 CZ PHE A 39 3.185 -7.437 7.786 1.00 0.00 C ATOM 0 H PHE A 39 3.775 -1.901 5.074 1.00 0.00 H new ATOM 0 HA PHE A 39 1.270 -3.426 4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.616 -2.703 7.309 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.948 -3.235 7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.710 -5.833 6.136 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.147 -4.222 8.113 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.443 -8.108 6.740 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.835 -6.489 8.756 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.498 -8.433 8.061 1.00 0.00 H new ATOM 551 N ILE A 40 -0.434 -1.459 5.443 1.00 0.00 N ATOM 552 CA ILE A 40 -1.404 -0.331 5.809 1.00 0.00 C ATOM 553 C ILE A 40 -1.630 -0.338 7.406 1.00 0.00 C ATOM 554 O ILE A 40 -1.739 -1.431 8.057 1.00 0.00 O ATOM 555 CB ILE A 40 -2.913 -0.408 5.029 1.00 0.00 C ATOM 556 CG1 ILE A 40 -2.986 -1.138 3.543 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.695 0.991 5.008 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.157 -0.549 2.371 1.00 0.00 C ATOM 0 H ILE A 40 -0.915 -2.338 5.252 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.940 0.593 5.465 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.432 -1.105 5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.681 -2.176 3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.031 -1.149 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.649 0.867 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.874 1.323 6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.095 1.735 4.484 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.320 -1.146 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.469 0.479 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.098 -0.565 2.630 1.00 0.00 H new ATOM 570 N THR A 41 -1.718 0.930 7.947 1.00 0.00 N ATOM 571 CA THR A 41 -1.926 1.300 9.451 1.00 0.00 C ATOM 572 C THR A 41 -2.862 2.553 9.651 1.00 0.00 C ATOM 573 O THR A 41 -3.578 2.616 10.708 1.00 0.00 O ATOM 574 CB THR A 41 -0.583 1.413 10.398 1.00 0.00 C ATOM 575 OG1 THR A 41 0.437 2.198 9.808 1.00 0.00 O ATOM 576 CG2 THR A 41 0.002 0.052 10.814 1.00 0.00 C ATOM 0 H THR A 41 -1.648 1.760 7.359 1.00 0.00 H new ATOM 0 HA THR A 41 -2.431 0.408 9.822 1.00 0.00 H new ATOM 0 HB THR A 41 -0.940 1.911 11.299 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.210 2.235 10.409 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.884 0.210 11.435 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.744 -0.508 11.378 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.282 -0.511 9.924 1.00 0.00 H new ATOM 584 N LYS A 42 -2.897 3.551 8.578 1.00 0.00 N ATOM 585 CA LYS A 42 -3.757 4.773 8.598 1.00 0.00 C ATOM 586 C LYS A 42 -4.774 4.825 7.394 1.00 0.00 C ATOM 587 O LYS A 42 -4.388 4.657 6.200 1.00 0.00 O ATOM 588 CB LYS A 42 -2.834 6.134 8.851 1.00 0.00 C ATOM 589 CG LYS A 42 -3.423 7.656 8.849 1.00 0.00 C ATOM 590 CD LYS A 42 -4.594 7.930 9.809 1.00 0.00 C ATOM 591 CE LYS A 42 -4.841 9.411 9.959 1.00 0.00 C ATOM 592 NZ LYS A 42 -5.969 9.701 10.888 1.00 0.00 N ATOM 0 H LYS A 42 -2.327 3.474 7.735 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.425 4.727 9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.351 5.997 9.818 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.048 6.112 8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.610 8.339 9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.746 7.898 7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.495 7.444 9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.378 7.494 10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.936 9.893 10.327 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.057 9.843 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.103 10.730 10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.840 9.263 10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.753 9.313 11.828 1.00 0.00 H new ATOM 606 N ILE A 43 -6.109 5.008 7.813 1.00 0.00 N ATOM 607 CA ILE A 43 -7.310 5.263 6.948 1.00 0.00 C ATOM 608 C ILE A 43 -8.054 6.575 7.507 1.00 0.00 C ATOM 609 O ILE A 43 -8.434 6.641 8.722 1.00 0.00 O ATOM 610 CB ILE A 43 -8.348 3.871 6.762 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.635 2.534 6.081 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.810 4.113 6.123 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.930 2.643 4.646 1.00 0.00 C ATOM 0 H ILE A 43 -6.358 4.976 8.802 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.988 5.453 5.924 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.525 3.657 7.816 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.884 2.174 6.784 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.400 1.761 6.008 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.344 3.165 6.067 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.370 4.808 6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.705 4.530 5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.522 1.672 4.366 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.664 2.956 3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.124 3.376 4.691 1.00 0.00 H new ATOM 625 N ILE A 44 -8.232 7.584 6.554 1.00 0.00 N ATOM 626 CA ILE A 44 -9.025 8.900 6.722 1.00 0.00 C ATOM 627 C ILE A 44 -10.671 8.640 6.507 1.00 0.00 C ATOM 628 O ILE A 44 -11.033 8.035 5.463 1.00 0.00 O ATOM 629 CB ILE A 44 -8.333 10.181 5.770 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.875 10.674 6.241 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.194 11.483 5.574 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.685 9.756 5.977 1.00 0.00 C ATOM 0 H ILE A 44 -7.820 7.508 5.624 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.935 9.254 7.749 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.281 9.652 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.673 11.629 5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.918 10.864 7.313 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.642 12.196 4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.131 11.228 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.407 11.928 6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.774 10.225 6.350 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.839 8.805 6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.591 9.582 4.905 1.00 0.00 H new ATOM 644 N PRO A 45 -11.692 9.135 7.549 1.00 0.00 N ATOM 645 CA PRO A 45 -13.245 8.948 7.424 1.00 0.00 C ATOM 646 C PRO A 45 -14.003 9.692 6.174 1.00 0.00 C ATOM 647 O PRO A 45 -15.118 9.226 5.762 1.00 0.00 O ATOM 648 CB PRO A 45 -13.782 9.450 8.823 1.00 0.00 C ATOM 649 CG PRO A 45 -12.594 9.438 9.747 1.00 0.00 C ATOM 650 CD PRO A 45 -11.412 9.838 8.902 1.00 0.00 C ATOM 0 HA PRO A 45 -13.465 7.907 7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.205 10.451 8.743 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.573 8.799 9.195 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.736 10.133 10.575 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.447 8.449 10.182 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.346 10.920 8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.472 9.506 9.342 1.00 0.00 H new ATOM 658 N GLY A 46 -13.324 10.810 5.597 1.00 0.00 N ATOM 659 CA GLY A 46 -13.826 11.613 4.426 1.00 0.00 C ATOM 660 C GLY A 46 -12.811 11.824 3.255 1.00 0.00 C ATOM 661 O GLY A 46 -12.808 12.942 2.671 1.00 0.00 O ATOM 0 H GLY A 46 -12.429 11.146 5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.713 11.121 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.140 12.592 4.789 1.00 0.00 H new ATOM 665 N GLY A 47 -11.932 10.726 2.922 1.00 0.00 N ATOM 666 CA GLY A 47 -10.965 10.701 1.740 1.00 0.00 C ATOM 667 C GLY A 47 -11.504 10.037 0.415 1.00 0.00 C ATOM 668 O GLY A 47 -12.686 9.589 0.347 1.00 0.00 O ATOM 0 H GLY A 47 -11.901 9.869 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.672 11.726 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.063 10.172 2.046 1.00 0.00 H new ATOM 672 N ALA A 48 -10.562 9.995 -0.643 1.00 0.00 N ATOM 673 CA ALA A 48 -10.759 9.476 -2.076 1.00 0.00 C ATOM 674 C ALA A 48 -10.652 7.868 -2.263 1.00 0.00 C ATOM 675 O ALA A 48 -11.389 7.312 -3.097 1.00 0.00 O ATOM 676 CB ALA A 48 -9.826 10.278 -3.063 1.00 0.00 C ATOM 0 H ALA A 48 -9.612 10.338 -0.503 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.801 9.668 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.967 9.908 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.080 11.337 -3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.785 10.143 -2.770 1.00 0.00 H new ATOM 682 N ALA A 49 -9.699 7.152 -1.442 1.00 0.00 N ATOM 683 CA ALA A 49 -9.472 5.604 -1.397 1.00 0.00 C ATOM 684 C ALA A 49 -10.499 4.760 -0.483 1.00 0.00 C ATOM 685 O ALA A 49 -10.717 3.513 -0.741 1.00 0.00 O ATOM 686 CB ALA A 49 -8.013 5.293 -1.042 1.00 0.00 C ATOM 0 H ALA A 49 -9.077 7.646 -0.802 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.695 5.259 -2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.868 4.213 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.355 5.728 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.778 5.716 -0.065 1.00 0.00 H new ATOM 692 N ALA A 50 -11.142 5.488 0.581 1.00 0.00 N ATOM 693 CA ALA A 50 -12.180 4.959 1.567 1.00 0.00 C ATOM 694 C ALA A 50 -13.688 5.003 0.992 1.00 0.00 C ATOM 695 O ALA A 50 -14.450 4.014 1.190 1.00 0.00 O ATOM 696 CB ALA A 50 -12.039 5.711 2.943 1.00 0.00 C ATOM 0 H ALA A 50 -10.926 6.470 0.751 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.976 3.900 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.782 5.330 3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.040 5.545 3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.197 6.779 2.792 1.00 0.00 H new ATOM 702 N GLN A 51 -14.071 6.189 0.251 1.00 0.00 N ATOM 703 CA GLN A 51 -15.415 6.457 -0.447 1.00 0.00 C ATOM 704 C GLN A 51 -15.484 6.002 -1.994 1.00 0.00 C ATOM 705 O GLN A 51 -16.376 5.177 -2.332 1.00 0.00 O ATOM 706 CB GLN A 51 -15.912 7.980 -0.273 1.00 0.00 C ATOM 707 CG GLN A 51 -16.136 8.491 1.200 1.00 0.00 C ATOM 708 CD GLN A 51 -16.895 9.844 1.329 1.00 0.00 C ATOM 709 OE1 GLN A 51 -18.134 9.876 1.407 1.00 0.00 O ATOM 710 NE2 GLN A 51 -16.147 10.964 1.404 1.00 0.00 N ATOM 0 H GLN A 51 -13.426 6.971 0.141 1.00 0.00 H new ATOM 0 HA GLN A 51 -16.111 5.806 0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.181 8.632 -0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.848 8.096 -0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.689 7.730 1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.164 8.591 1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.131 10.904 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.597 11.871 1.528 1.00 0.00 H new ATOM 719 N ASP A 52 -14.495 6.551 -2.918 1.00 0.00 N ATOM 720 CA ASP A 52 -14.470 6.362 -4.449 1.00 0.00 C ATOM 721 C ASP A 52 -13.647 5.109 -5.038 1.00 0.00 C ATOM 722 O ASP A 52 -14.103 4.513 -6.067 1.00 0.00 O ATOM 723 CB ASP A 52 -14.041 7.719 -5.162 1.00 0.00 C ATOM 724 CG ASP A 52 -15.148 8.802 -5.291 1.00 0.00 C ATOM 725 OD1 ASP A 52 -15.277 9.642 -4.366 1.00 0.00 O ATOM 726 OD2 ASP A 52 -15.863 8.810 -6.323 1.00 0.00 O ATOM 0 H ASP A 52 -13.718 7.124 -2.589 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.499 6.097 -4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.204 8.147 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.675 7.481 -6.161 1.00 0.00 H new ATOM 731 N GLY A 53 -12.468 4.689 -4.332 1.00 0.00 N ATOM 732 CA GLY A 53 -11.465 3.618 -4.817 1.00 0.00 C ATOM 733 C GLY A 53 -11.766 2.126 -4.453 1.00 0.00 C ATOM 734 O GLY A 53 -11.712 1.256 -5.349 1.00 0.00 O ATOM 0 H GLY A 53 -12.209 5.088 -3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.394 3.691 -5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.484 3.870 -4.415 1.00 0.00 H new ATOM 738 N ARG A 54 -12.085 1.857 -3.082 1.00 0.00 N ATOM 739 CA ARG A 54 -12.421 0.501 -2.355 1.00 0.00 C ATOM 740 C ARG A 54 -11.189 -0.329 -1.776 1.00 0.00 C ATOM 741 O ARG A 54 -10.888 -1.514 -2.185 1.00 0.00 O ATOM 742 CB ARG A 54 -13.638 -0.389 -2.934 1.00 0.00 C ATOM 743 CG ARG A 54 -15.081 0.177 -2.691 1.00 0.00 C ATOM 744 CD ARG A 54 -16.233 -0.754 -3.191 1.00 0.00 C ATOM 745 NE ARG A 54 -16.422 -0.798 -4.725 1.00 0.00 N ATOM 746 CZ ARG A 54 -17.362 -1.523 -5.497 1.00 0.00 C ATOM 747 NH1 ARG A 54 -18.313 -2.361 -4.968 1.00 0.00 N ATOM 748 NH2 ARG A 54 -17.322 -1.389 -6.815 1.00 0.00 N ATOM 0 H ARG A 54 -12.116 2.629 -2.416 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.878 0.915 -1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.493 -0.512 -4.007 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.579 -1.382 -2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.213 0.356 -1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.168 1.142 -3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.041 -1.766 -2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.167 -0.427 -2.735 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.774 -0.220 -5.260 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -18.373 -2.492 -3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.959 -2.853 -5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.628 -0.777 -7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.985 -1.898 -7.400 1.00 0.00 H new ATOM 762 N LEU A 55 -10.377 0.434 -0.901 1.00 0.00 N ATOM 763 CA LEU A 55 -9.255 -0.053 -0.039 1.00 0.00 C ATOM 764 C LEU A 55 -9.631 0.022 1.521 1.00 0.00 C ATOM 765 O LEU A 55 -10.175 1.061 2.029 1.00 0.00 O ATOM 766 CB LEU A 55 -7.917 0.778 -0.439 1.00 0.00 C ATOM 767 CG LEU A 55 -6.544 0.636 0.333 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.555 -0.289 -0.359 1.00 0.00 C ATOM 769 CD2 LEU A 55 -6.000 2.003 0.472 1.00 0.00 C ATOM 0 H LEU A 55 -10.519 1.439 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.063 -1.111 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.709 0.543 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.186 1.833 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.716 0.171 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.636 -0.340 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.987 -1.286 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.332 0.096 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.048 1.964 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.849 2.437 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.702 2.618 1.035 1.00 0.00 H new ATOM 781 N ARG A 56 -9.331 -1.151 2.208 1.00 0.00 N ATOM 782 CA ARG A 56 -9.351 -1.379 3.717 1.00 0.00 C ATOM 783 C ARG A 56 -7.867 -1.596 4.272 1.00 0.00 C ATOM 784 O ARG A 56 -6.958 -2.089 3.532 1.00 0.00 O ATOM 785 CB ARG A 56 -10.338 -2.585 4.154 1.00 0.00 C ATOM 786 CG ARG A 56 -11.833 -2.319 4.086 1.00 0.00 C ATOM 787 CD ARG A 56 -12.524 -3.541 4.595 1.00 0.00 C ATOM 788 NE ARG A 56 -14.033 -3.381 4.715 1.00 0.00 N ATOM 789 CZ ARG A 56 -15.012 -4.298 5.193 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.730 -5.559 5.656 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.281 -3.911 5.192 1.00 0.00 N ATOM 0 H ARG A 56 -9.058 -1.996 1.706 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.759 -0.478 4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.119 -3.446 3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.092 -2.869 5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.097 -1.449 4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.139 -2.103 3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.307 -4.375 3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.115 -3.799 5.572 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.398 -2.480 4.406 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.766 -5.893 5.672 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.484 -6.162 5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.530 -2.981 4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.007 -4.544 5.528 1.00 0.00 H new ATOM 805 N VAL A 57 -7.647 -1.240 5.623 1.00 0.00 N ATOM 806 CA VAL A 57 -6.334 -1.330 6.461 1.00 0.00 C ATOM 807 C VAL A 57 -5.632 -2.823 6.549 1.00 0.00 C ATOM 808 O VAL A 57 -4.388 -2.946 6.736 1.00 0.00 O ATOM 809 CB VAL A 57 -6.605 -0.611 7.900 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.434 -1.276 9.005 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.542 0.296 8.380 1.00 0.00 C ATOM 0 H VAL A 57 -8.412 -0.866 6.185 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.554 -0.787 5.928 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.418 0.004 7.514 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.481 -0.616 9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.443 -1.467 8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.968 -2.219 9.292 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.830 0.716 9.344 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.611 -0.260 8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.400 1.102 7.661 1.00 0.00 H new ATOM 821 N ASN A 58 -6.548 -3.867 6.417 1.00 0.00 N ATOM 822 CA ASN A 58 -6.297 -5.318 6.410 1.00 0.00 C ATOM 823 C ASN A 58 -6.057 -5.911 4.867 1.00 0.00 C ATOM 824 O ASN A 58 -5.938 -7.172 4.700 1.00 0.00 O ATOM 825 CB ASN A 58 -7.520 -5.976 7.242 1.00 0.00 C ATOM 826 CG ASN A 58 -7.292 -7.411 7.825 1.00 0.00 C ATOM 827 OD1 ASN A 58 -7.563 -8.418 7.161 1.00 0.00 O ATOM 828 ND2 ASN A 58 -6.821 -7.488 9.077 1.00 0.00 N ATOM 0 H ASN A 58 -7.542 -3.667 6.307 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.359 -5.587 6.896 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.765 -5.309 8.069 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.393 -6.010 6.591 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.675 -8.399 9.512 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.608 -6.636 9.595 1.00 0.00 H new ATOM 835 N ASP A 59 -5.909 -4.934 3.750 1.00 0.00 N ATOM 836 CA ASP A 59 -5.669 -5.352 2.267 1.00 0.00 C ATOM 837 C ASP A 59 -4.154 -5.630 1.853 1.00 0.00 C ATOM 838 O ASP A 59 -3.900 -6.522 0.969 1.00 0.00 O ATOM 839 CB ASP A 59 -6.414 -4.414 1.226 1.00 0.00 C ATOM 840 CG ASP A 59 -7.887 -4.798 0.937 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.786 -4.303 1.641 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.124 -5.585 -0.014 1.00 0.00 O ATOM 0 H ASP A 59 -5.956 -3.924 3.886 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.138 -6.335 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.387 -3.390 1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.860 -4.426 0.287 1.00 0.00 H new ATOM 847 N SER A 60 -3.108 -4.845 2.538 1.00 0.00 N ATOM 848 CA SER A 60 -1.524 -4.935 2.400 1.00 0.00 C ATOM 849 C SER A 60 -0.948 -5.030 0.890 1.00 0.00 C ATOM 850 O SER A 60 -1.275 -5.996 0.141 1.00 0.00 O ATOM 851 CB SER A 60 -0.910 -6.054 3.394 1.00 0.00 C ATOM 852 OG SER A 60 0.528 -6.056 3.453 1.00 0.00 O ATOM 0 H SER A 60 -3.371 -4.124 3.210 1.00 0.00 H new ATOM 0 HA SER A 60 -1.160 -3.961 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.305 -5.891 4.397 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.252 -7.038 3.073 1.00 0.00 H new ATOM 0 HG SER A 60 0.817 -6.061 4.389 1.00 0.00 H new ATOM 858 N ILE A 61 -0.034 -4.028 0.517 1.00 0.00 N ATOM 859 CA ILE A 61 0.594 -3.865 -0.899 1.00 0.00 C ATOM 860 C ILE A 61 1.897 -4.826 -1.074 1.00 0.00 C ATOM 861 O ILE A 61 2.800 -4.856 -0.185 1.00 0.00 O ATOM 862 CB ILE A 61 0.909 -2.219 -1.320 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.441 -1.290 -1.163 1.00 0.00 C ATOM 864 CG2 ILE A 61 1.500 -2.067 -2.832 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.285 0.279 -0.994 1.00 0.00 C ATOM 0 H ILE A 61 0.288 -3.317 1.174 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.154 -4.198 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 61 1.669 -1.869 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.064 -1.465 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.995 -1.659 -0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.681 -1.014 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.435 -2.620 -2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.779 -2.465 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.271 0.735 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.297 0.492 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.227 0.690 -1.864 1.00 0.00 H new ATOM 877 N LEU A 62 1.895 -5.605 -2.276 1.00 0.00 N ATOM 878 CA LEU A 62 3.104 -6.352 -2.828 1.00 0.00 C ATOM 879 C LEU A 62 3.842 -5.537 -3.952 1.00 0.00 C ATOM 880 O LEU A 62 5.105 -5.459 -3.930 1.00 0.00 O ATOM 881 CB LEU A 62 2.807 -7.909 -3.260 1.00 0.00 C ATOM 882 CG LEU A 62 1.732 -8.306 -4.373 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.054 -9.659 -4.890 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.311 -8.346 -3.840 1.00 0.00 C ATOM 0 H LEU A 62 1.062 -5.713 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 62 3.793 -6.435 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.759 -8.329 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.520 -8.435 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 62 1.783 -7.541 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.326 -9.940 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.052 -9.653 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.020 -10.379 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.372 -8.622 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.244 -9.082 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.039 -7.363 -3.454 1.00 0.00 H new ATOM 896 N PHE A 63 2.990 -4.932 -4.955 1.00 0.00 N ATOM 897 CA PHE A 63 3.492 -4.157 -6.182 1.00 0.00 C ATOM 898 C PHE A 63 2.744 -2.816 -6.399 1.00 0.00 C ATOM 899 O PHE A 63 1.517 -2.747 -6.194 1.00 0.00 O ATOM 900 CB PHE A 63 3.424 -5.087 -7.541 1.00 0.00 C ATOM 901 CG PHE A 63 4.472 -6.261 -7.652 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.299 -7.471 -6.966 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.601 -6.119 -8.425 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.205 -8.489 -7.052 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.522 -7.126 -8.533 1.00 0.00 C ATOM 906 CZ PHE A 63 6.332 -8.330 -7.849 1.00 0.00 C ATOM 0 H PHE A 63 1.972 -4.984 -4.908 1.00 0.00 H new ATOM 0 HA PHE A 63 4.533 -3.907 -5.979 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.424 -5.516 -7.609 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.551 -4.435 -8.405 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.422 -7.602 -6.350 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.764 -5.194 -8.958 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.047 -9.408 -6.507 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.399 -6.990 -9.149 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.054 -9.128 -7.939 1.00 0.00 H new ATOM 916 N VAL A 64 3.533 -1.706 -6.750 1.00 0.00 N ATOM 917 CA VAL A 64 2.980 -0.342 -7.185 1.00 0.00 C ATOM 918 C VAL A 64 3.453 0.050 -8.573 1.00 0.00 C ATOM 919 O VAL A 64 4.557 -0.197 -8.883 1.00 0.00 O ATOM 920 CB VAL A 64 2.943 0.920 -6.142 1.00 0.00 C ATOM 921 CG1 VAL A 64 1.746 0.886 -5.239 1.00 0.00 C ATOM 922 CG2 VAL A 64 4.236 1.292 -5.344 1.00 0.00 C ATOM 0 H VAL A 64 4.552 -1.736 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 64 1.915 -0.572 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 64 2.867 1.746 -6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.772 1.745 -4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.837 0.921 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.759 -0.033 -4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.033 2.149 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.542 0.444 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.035 1.542 -6.042 1.00 0.00 H new ATOM 932 N ASN A 65 2.518 0.672 -9.445 1.00 0.00 N ATOM 933 CA ASN A 65 2.726 1.164 -10.951 1.00 0.00 C ATOM 934 C ASN A 65 2.919 -0.022 -12.065 1.00 0.00 C ATOM 935 O ASN A 65 2.886 0.243 -13.307 1.00 0.00 O ATOM 936 CB ASN A 65 3.947 2.276 -11.125 1.00 0.00 C ATOM 937 CG ASN A 65 3.615 3.674 -10.620 1.00 0.00 C ATOM 938 OD1 ASN A 65 3.107 4.515 -11.364 1.00 0.00 O ATOM 939 ND2 ASN A 65 3.907 3.923 -9.358 1.00 0.00 N ATOM 0 H ASN A 65 1.566 0.859 -9.128 1.00 0.00 H new ATOM 0 HA ASN A 65 1.769 1.643 -11.160 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.828 1.913 -10.595 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.213 2.340 -12.180 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.713 4.842 -8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.327 3.196 -8.779 1.00 0.00 H new ATOM 946 N GLU A 66 2.998 -1.360 -11.539 1.00 0.00 N ATOM 947 CA GLU A 66 3.569 -2.696 -12.160 1.00 0.00 C ATOM 948 C GLU A 66 5.139 -2.937 -11.759 1.00 0.00 C ATOM 949 O GLU A 66 5.787 -3.944 -12.206 1.00 0.00 O ATOM 950 CB GLU A 66 3.211 -3.033 -13.760 1.00 0.00 C ATOM 951 CG GLU A 66 1.690 -3.310 -14.146 1.00 0.00 C ATOM 952 CD GLU A 66 1.087 -4.691 -13.706 1.00 0.00 C ATOM 953 OE1 GLU A 66 1.176 -5.665 -14.495 1.00 0.00 O ATOM 954 OE2 GLU A 66 0.518 -4.768 -12.588 1.00 0.00 O ATOM 0 H GLU A 66 2.638 -1.543 -10.602 1.00 0.00 H new ATOM 0 HA GLU A 66 2.976 -3.466 -11.667 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.561 -2.196 -14.364 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.794 -3.905 -14.056 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.080 -2.519 -13.710 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.594 -3.227 -15.229 1.00 0.00 H new ATOM 961 N VAL A 67 5.689 -2.004 -10.775 1.00 0.00 N ATOM 962 CA VAL A 67 7.083 -1.994 -10.177 1.00 0.00 C ATOM 963 C VAL A 67 7.183 -2.735 -8.787 1.00 0.00 C ATOM 964 O VAL A 67 6.197 -2.700 -7.935 1.00 0.00 O ATOM 965 CB VAL A 67 7.921 -0.541 -10.196 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.263 -0.077 -11.570 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.411 0.648 -9.286 1.00 0.00 C ATOM 0 H VAL A 67 5.119 -1.244 -10.404 1.00 0.00 H new ATOM 0 HA VAL A 67 7.629 -2.593 -10.906 1.00 0.00 H new ATOM 0 HB VAL A 67 8.832 -0.844 -9.680 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.804 0.868 -11.511 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.888 -0.823 -12.061 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.348 0.064 -12.145 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.063 1.512 -9.416 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.394 0.915 -9.572 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.424 0.338 -8.241 1.00 0.00 H new ATOM 977 N ASP A 68 8.460 -3.271 -8.558 1.00 0.00 N ATOM 978 CA ASP A 68 8.881 -4.145 -7.437 1.00 0.00 C ATOM 979 C ASP A 68 9.286 -3.397 -6.110 1.00 0.00 C ATOM 980 O ASP A 68 10.399 -2.778 -6.011 1.00 0.00 O ATOM 981 CB ASP A 68 9.846 -5.400 -7.863 1.00 0.00 C ATOM 982 CG ASP A 68 11.202 -5.074 -8.597 1.00 0.00 C ATOM 983 OD1 ASP A 68 12.226 -4.884 -7.902 1.00 0.00 O ATOM 984 OD2 ASP A 68 11.206 -5.027 -9.848 1.00 0.00 O ATOM 0 H ASP A 68 9.232 -3.078 -9.195 1.00 0.00 H new ATOM 0 HA ASP A 68 7.953 -4.639 -7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.082 -5.962 -6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.268 -6.062 -8.508 1.00 0.00 H new ATOM 989 N VAL A 69 8.284 -3.436 -5.137 1.00 0.00 N ATOM 990 CA VAL A 69 8.407 -2.868 -3.707 1.00 0.00 C ATOM 991 C VAL A 69 8.776 -3.943 -2.559 1.00 0.00 C ATOM 992 O VAL A 69 9.058 -3.553 -1.407 1.00 0.00 O ATOM 993 CB VAL A 69 7.280 -1.728 -3.259 1.00 0.00 C ATOM 994 CG1 VAL A 69 7.346 -0.446 -4.043 1.00 0.00 C ATOM 995 CG2 VAL A 69 5.805 -2.193 -3.039 1.00 0.00 C ATOM 0 H VAL A 69 7.373 -3.858 -5.315 1.00 0.00 H new ATOM 0 HA VAL A 69 9.314 -2.270 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 69 7.628 -1.525 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.577 0.239 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.327 0.010 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.181 -0.657 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.193 -1.338 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.417 -2.623 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.774 -2.943 -2.249 1.00 0.00 H new ATOM 1005 N ARG A 70 8.867 -5.311 -2.975 1.00 0.00 N ATOM 1006 CA ARG A 70 9.244 -6.594 -2.104 1.00 0.00 C ATOM 1007 C ARG A 70 10.541 -6.456 -1.121 1.00 0.00 C ATOM 1008 O ARG A 70 10.579 -7.105 -0.033 1.00 0.00 O ATOM 1009 CB ARG A 70 9.388 -7.884 -3.031 1.00 0.00 C ATOM 1010 CG ARG A 70 8.056 -8.525 -3.575 1.00 0.00 C ATOM 1011 CD ARG A 70 8.279 -9.748 -4.531 1.00 0.00 C ATOM 1012 NE ARG A 70 8.777 -11.043 -3.844 1.00 0.00 N ATOM 1013 CZ ARG A 70 9.182 -12.273 -4.422 1.00 0.00 C ATOM 1014 NH1 ARG A 70 9.189 -12.528 -5.770 1.00 0.00 N ATOM 1015 NH2 ARG A 70 9.580 -13.244 -3.609 1.00 0.00 N ATOM 0 H ARG A 70 8.678 -5.568 -3.944 1.00 0.00 H new ATOM 0 HA ARG A 70 8.401 -6.698 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 70 10.010 -7.619 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.926 -8.647 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.447 -8.845 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.488 -7.761 -4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.341 -9.965 -5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.000 -9.462 -5.297 1.00 0.00 H new ATOM 0 HE ARG A 70 8.820 -11.006 -2.826 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.889 -11.807 -6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.494 -13.438 -6.115 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.588 -13.093 -2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.878 -14.141 -3.993 1.00 0.00 H new ATOM 1029 N GLU A 71 11.577 -5.521 -1.548 1.00 0.00 N ATOM 1030 CA GLU A 71 12.862 -5.134 -0.866 1.00 0.00 C ATOM 1031 C GLU A 71 13.248 -3.645 -1.304 1.00 0.00 C ATOM 1032 O GLU A 71 14.002 -3.399 -2.331 1.00 0.00 O ATOM 1033 CB GLU A 71 14.064 -6.175 -1.110 1.00 0.00 C ATOM 1034 CG GLU A 71 14.171 -7.382 -0.117 1.00 0.00 C ATOM 1035 CD GLU A 71 15.345 -8.351 -0.403 1.00 0.00 C ATOM 1036 OE1 GLU A 71 15.145 -9.336 -1.164 1.00 0.00 O ATOM 1037 OE2 GLU A 71 16.455 -8.140 0.161 1.00 0.00 O ATOM 0 H GLU A 71 11.476 -5.022 -2.432 1.00 0.00 H new ATOM 0 HA GLU A 71 12.697 -5.167 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.967 -6.574 -2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 71 15.003 -5.623 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.276 -6.994 0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.238 -7.944 -0.147 1.00 0.00 H new ATOM 1044 N VAL A 72 12.577 -2.632 -0.574 1.00 0.00 N ATOM 1045 CA VAL A 72 12.759 -1.100 -0.736 1.00 0.00 C ATOM 1046 C VAL A 72 12.700 -0.354 0.698 1.00 0.00 C ATOM 1047 O VAL A 72 12.163 -0.923 1.676 1.00 0.00 O ATOM 1048 CB VAL A 72 11.719 -0.333 -1.903 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.751 -0.898 -3.331 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.231 0.026 -1.469 1.00 0.00 C ATOM 0 H VAL A 72 11.892 -2.862 0.146 1.00 0.00 H new ATOM 0 HA VAL A 72 13.756 -0.986 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 72 12.240 0.624 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.061 -0.336 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.760 -0.813 -3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.454 -1.947 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.712 0.497 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.706 -0.885 -1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.254 0.712 -0.622 1.00 0.00 H new ATOM 1060 N THR A 73 13.202 0.972 0.720 1.00 0.00 N ATOM 1061 CA THR A 73 13.014 2.028 1.866 1.00 0.00 C ATOM 1062 C THR A 73 11.548 2.712 1.803 1.00 0.00 C ATOM 1063 O THR A 73 10.854 2.587 0.753 1.00 0.00 O ATOM 1064 CB THR A 73 14.163 3.182 1.871 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.531 3.654 0.559 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.396 2.808 2.673 1.00 0.00 C ATOM 0 H THR A 73 13.750 1.344 -0.056 1.00 0.00 H new ATOM 0 HA THR A 73 13.112 1.471 2.798 1.00 0.00 H new ATOM 0 HB THR A 73 13.682 4.016 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.222 4.344 0.642 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.118 3.623 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.114 2.625 3.710 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.843 1.906 2.254 1.00 0.00 H new ATOM 1074 N HIS A 74 11.082 3.429 2.963 1.00 0.00 N ATOM 1075 CA HIS A 74 9.700 4.223 3.070 1.00 0.00 C ATOM 1076 C HIS A 74 9.472 5.326 1.899 1.00 0.00 C ATOM 1077 O HIS A 74 8.497 5.207 1.061 1.00 0.00 O ATOM 1078 CB HIS A 74 9.396 4.789 4.578 1.00 0.00 C ATOM 1079 CG HIS A 74 10.292 5.945 5.200 1.00 0.00 C ATOM 1080 ND1 HIS A 74 11.533 5.745 5.784 1.00 0.00 N ATOM 1081 CD2 HIS A 74 10.060 7.292 5.298 1.00 0.00 C ATOM 1082 CE1 HIS A 74 12.020 6.918 6.212 1.00 0.00 C ATOM 1083 NE2 HIS A 74 11.146 7.860 5.925 1.00 0.00 N ATOM 0 H HIS A 74 11.628 3.476 3.823 1.00 0.00 H new ATOM 0 HA HIS A 74 8.932 3.473 2.882 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.364 5.141 4.588 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.450 3.939 5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 74 9.183 7.814 4.946 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.968 7.065 6.708 1.00 0.00 H new ATOM 0 HE2 HIS A 74 11.256 8.852 6.134 1.00 0.00 H new ATOM 1092 N SER A 75 10.572 6.251 1.747 1.00 0.00 N ATOM 1093 CA SER A 75 10.698 7.391 0.695 1.00 0.00 C ATOM 1094 C SER A 75 10.676 6.845 -0.839 1.00 0.00 C ATOM 1095 O SER A 75 10.015 7.457 -1.687 1.00 0.00 O ATOM 1096 CB SER A 75 11.964 8.287 1.030 1.00 0.00 C ATOM 1097 OG SER A 75 12.041 9.493 0.249 1.00 0.00 O ATOM 0 H SER A 75 11.386 6.209 2.361 1.00 0.00 H new ATOM 0 HA SER A 75 9.813 8.024 0.764 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.943 8.550 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.868 7.700 0.866 1.00 0.00 H new ATOM 0 HG SER A 75 12.841 9.998 0.505 1.00 0.00 H new ATOM 1103 N ALA A 76 11.287 5.547 -1.062 1.00 0.00 N ATOM 1104 CA ALA A 76 11.320 4.717 -2.359 1.00 0.00 C ATOM 1105 C ALA A 76 9.875 4.112 -2.799 1.00 0.00 C ATOM 1106 O ALA A 76 9.643 3.869 -4.027 1.00 0.00 O ATOM 1107 CB ALA A 76 12.369 3.597 -2.196 1.00 0.00 C ATOM 0 H ALA A 76 11.773 5.067 -0.305 1.00 0.00 H new ATOM 0 HA ALA A 76 11.596 5.388 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.406 2.998 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.348 4.039 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.095 2.961 -1.354 1.00 0.00 H new ATOM 1113 N ALA A 77 8.895 3.930 -1.731 1.00 0.00 N ATOM 1114 CA ALA A 77 7.438 3.496 -1.891 1.00 0.00 C ATOM 1115 C ALA A 77 6.422 4.736 -2.073 1.00 0.00 C ATOM 1116 O ALA A 77 5.407 4.604 -2.811 1.00 0.00 O ATOM 1117 CB ALA A 77 7.034 2.593 -0.703 1.00 0.00 C ATOM 0 H ALA A 77 9.140 4.092 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 77 7.362 2.926 -2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.995 2.284 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.675 1.711 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.147 3.146 0.229 1.00 0.00 H new ATOM 1123 N VAL A 78 6.773 5.969 -1.397 1.00 0.00 N ATOM 1124 CA VAL A 78 6.011 7.367 -1.467 1.00 0.00 C ATOM 1125 C VAL A 78 6.280 8.130 -2.903 1.00 0.00 C ATOM 1126 O VAL A 78 5.332 8.650 -3.480 1.00 0.00 O ATOM 1127 CB VAL A 78 6.359 8.323 -0.094 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.679 9.717 -0.021 1.00 0.00 C ATOM 1129 CG2 VAL A 78 5.906 7.649 1.178 1.00 0.00 C ATOM 0 H VAL A 78 7.591 6.018 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 78 4.937 7.183 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 78 7.437 8.447 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.981 10.222 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.982 10.315 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.596 9.594 -0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.143 8.285 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.830 7.482 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.418 6.693 1.285 1.00 0.00 H new ATOM 1139 N GLU A 79 7.605 8.094 -3.423 1.00 0.00 N ATOM 1140 CA GLU A 79 8.153 8.700 -4.795 1.00 0.00 C ATOM 1141 C GLU A 79 7.580 8.017 -6.116 1.00 0.00 C ATOM 1142 O GLU A 79 7.604 8.630 -7.206 1.00 0.00 O ATOM 1143 CB GLU A 79 9.740 8.711 -4.832 1.00 0.00 C ATOM 1144 CG GLU A 79 10.466 9.770 -3.913 1.00 0.00 C ATOM 1145 CD GLU A 79 10.626 11.227 -4.472 1.00 0.00 C ATOM 1146 OE1 GLU A 79 9.706 12.059 -4.260 1.00 0.00 O ATOM 1147 OE2 GLU A 79 11.680 11.519 -5.091 1.00 0.00 O ATOM 0 H GLU A 79 8.351 7.636 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 79 7.774 9.722 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.093 7.719 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.055 8.882 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.919 9.829 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.460 9.388 -3.681 1.00 0.00 H new ATOM 1154 N ALA A 80 7.030 6.706 -5.953 1.00 0.00 N ATOM 1155 CA ALA A 80 6.168 5.953 -6.954 1.00 0.00 C ATOM 1156 C ALA A 80 4.662 6.564 -7.015 1.00 0.00 C ATOM 1157 O ALA A 80 4.039 6.589 -8.106 1.00 0.00 O ATOM 1158 CB ALA A 80 6.180 4.435 -6.600 1.00 0.00 C ATOM 0 H ALA A 80 7.192 6.164 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 80 6.583 6.074 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.563 3.890 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.202 4.060 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.783 4.293 -5.595 1.00 0.00 H new ATOM 1164 N LEU A 81 4.169 7.166 -5.784 1.00 0.00 N ATOM 1165 CA LEU A 81 2.794 7.786 -5.554 1.00 0.00 C ATOM 1166 C LEU A 81 2.684 9.353 -5.796 1.00 0.00 C ATOM 1167 O LEU A 81 1.601 9.850 -6.225 1.00 0.00 O ATOM 1168 CB LEU A 81 2.157 7.295 -4.141 1.00 0.00 C ATOM 1169 CG LEU A 81 2.223 5.730 -3.665 1.00 0.00 C ATOM 1170 CD1 LEU A 81 1.411 5.505 -2.465 1.00 0.00 C ATOM 1171 CD2 LEU A 81 1.883 4.657 -4.731 1.00 0.00 C ATOM 0 H LEU A 81 4.751 7.212 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 81 2.170 7.393 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.635 7.884 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.104 7.577 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 81 3.283 5.586 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.475 4.457 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.781 6.131 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.372 5.760 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.964 3.665 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.866 4.811 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.580 4.739 -5.565 1.00 0.00 H new ATOM 1183 N LYS A 82 3.857 10.107 -5.520 1.00 0.00 N ATOM 1184 CA LYS A 82 4.066 11.623 -5.726 1.00 0.00 C ATOM 1185 C LYS A 82 4.514 11.999 -7.218 1.00 0.00 C ATOM 1186 O LYS A 82 4.014 13.026 -7.768 1.00 0.00 O ATOM 1187 CB LYS A 82 5.101 12.264 -4.669 1.00 0.00 C ATOM 1188 CG LYS A 82 4.715 12.242 -3.106 1.00 0.00 C ATOM 1189 CD LYS A 82 5.574 13.191 -2.122 1.00 0.00 C ATOM 1190 CE LYS A 82 7.094 12.816 -1.855 1.00 0.00 C ATOM 1191 NZ LYS A 82 7.749 13.777 -0.926 1.00 0.00 N ATOM 0 H LYS A 82 4.692 9.660 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 82 3.083 12.060 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.054 11.747 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.266 13.303 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.665 12.521 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.805 11.216 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.547 14.202 -2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.064 13.220 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.152 11.811 -1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.635 12.800 -2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.740 13.497 -0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.717 14.732 -1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.249 13.774 -0.014 1.00 0.00 H new ATOM 1205 N GLU A 83 5.439 11.099 -7.867 1.00 0.00 N ATOM 1206 CA GLU A 83 6.077 11.341 -9.303 1.00 0.00 C ATOM 1207 C GLU A 83 5.347 10.801 -10.591 1.00 0.00 C ATOM 1208 O GLU A 83 5.626 11.339 -11.738 1.00 0.00 O ATOM 1209 CB GLU A 83 7.580 11.010 -9.353 1.00 0.00 C ATOM 1210 CG GLU A 83 8.425 12.066 -8.663 1.00 0.00 C ATOM 1211 CD GLU A 83 9.963 11.918 -8.823 1.00 0.00 C ATOM 1212 OE1 GLU A 83 10.597 11.213 -7.990 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.533 12.532 -9.767 1.00 0.00 O ATOM 0 H GLU A 83 5.750 10.229 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 83 5.908 12.415 -9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.753 10.043 -8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.895 10.917 -10.392 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.132 13.044 -9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.187 12.055 -7.599 1.00 0.00 H new ATOM 1220 N ALA A 84 4.339 9.796 -10.430 1.00 0.00 N ATOM 1221 CA ALA A 84 3.500 9.149 -11.618 1.00 0.00 C ATOM 1222 C ALA A 84 2.652 10.201 -12.541 1.00 0.00 C ATOM 1223 O ALA A 84 2.336 9.903 -13.744 1.00 0.00 O ATOM 1224 CB ALA A 84 2.655 7.976 -11.118 1.00 0.00 C ATOM 0 H ALA A 84 4.087 9.419 -9.516 1.00 0.00 H new ATOM 0 HA ALA A 84 4.244 8.762 -12.315 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.092 7.553 -11.950 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.307 7.212 -10.695 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.963 8.327 -10.352 1.00 0.00 H new ATOM 1230 N GLY A 85 2.353 11.434 -11.897 1.00 0.00 N ATOM 1231 CA GLY A 85 1.877 12.693 -12.563 1.00 0.00 C ATOM 1232 C GLY A 85 0.434 13.144 -12.386 1.00 0.00 C ATOM 1233 O GLY A 85 0.197 14.374 -12.303 1.00 0.00 O ATOM 0 H GLY A 85 2.449 11.545 -10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.516 13.505 -12.217 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.054 12.582 -13.633 1.00 0.00 H new ATOM 1237 N SER A 86 -0.554 12.123 -12.301 1.00 0.00 N ATOM 1238 CA SER A 86 -2.111 12.281 -12.237 1.00 0.00 C ATOM 1239 C SER A 86 -2.817 10.878 -11.979 1.00 0.00 C ATOM 1240 O SER A 86 -3.906 10.863 -11.369 1.00 0.00 O ATOM 1241 CB SER A 86 -2.706 12.977 -13.580 1.00 0.00 C ATOM 1242 OG SER A 86 -4.095 13.349 -13.495 1.00 0.00 O ATOM 0 H SER A 86 -0.282 11.140 -12.274 1.00 0.00 H new ATOM 0 HA SER A 86 -2.331 12.941 -11.398 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.118 13.867 -13.804 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.577 12.291 -14.417 1.00 0.00 H new ATOM 0 HG SER A 86 -4.376 13.761 -14.339 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.169 9.705 -12.499 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.693 8.272 -12.379 1.00 0.00 C ATOM 1250 C ILE A 87 -1.607 7.369 -11.669 1.00 0.00 C ATOM 1251 O ILE A 87 -0.445 7.237 -12.145 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.292 7.597 -13.851 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.316 8.578 -14.728 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -3.887 6.097 -13.737 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.671 9.148 -14.102 1.00 0.00 C ATOM 0 H ILE A 87 -1.283 9.756 -13.001 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.583 8.306 -11.751 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.370 7.521 -14.427 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.730 9.439 -15.050 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.591 8.025 -15.626 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.236 5.768 -14.716 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.107 5.422 -13.384 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.720 6.088 -13.034 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.184 9.762 -14.842 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.315 8.318 -13.810 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.440 9.753 -13.225 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.112 6.728 -10.560 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.389 5.748 -9.627 1.00 0.00 C ATOM 1269 C VAL A 88 -2.167 4.353 -9.505 1.00 0.00 C ATOM 1270 O VAL A 88 -3.370 4.329 -9.096 1.00 0.00 O ATOM 1271 CB VAL A 88 -0.846 6.361 -8.152 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.281 7.398 -8.310 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -1.928 6.946 -7.154 1.00 0.00 C ATOM 0 H VAL A 88 -3.077 6.878 -10.267 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.445 5.553 -10.136 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.479 5.447 -7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.587 7.755 -7.327 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.133 6.937 -8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.078 8.238 -8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.434 7.303 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.453 7.773 -7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.642 6.165 -6.893 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.425 3.217 -9.887 1.00 0.00 N ATOM 1284 CA ARG A 89 -1.961 1.758 -9.949 1.00 0.00 C ATOM 1285 C ARG A 89 -1.318 0.750 -8.893 1.00 0.00 C ATOM 1286 O ARG A 89 -0.220 0.201 -9.111 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.137 1.146 -11.482 1.00 0.00 C ATOM 1288 CG ARG A 89 -0.949 1.147 -12.471 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.408 0.495 -13.740 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.314 0.404 -14.796 1.00 0.00 N ATOM 1291 CZ ARG A 89 -0.340 -0.198 -16.086 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -1.426 -0.853 -16.612 1.00 0.00 N ATOM 1293 NH2 ARG A 89 0.757 -0.126 -16.829 1.00 0.00 N ATOM 0 H ARG A 89 -0.444 3.283 -10.160 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.987 1.858 -9.595 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.468 0.113 -11.379 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.950 1.696 -11.956 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.614 2.166 -12.665 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.101 0.608 -12.050 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.772 -0.508 -13.515 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.250 1.056 -14.145 1.00 0.00 H new ATOM 0 HE ARG A 89 0.572 0.841 -14.540 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.286 -0.932 -16.069 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.373 -1.261 -17.545 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.585 0.350 -16.471 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.772 -0.547 -17.758 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.101 0.513 -7.750 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.757 -0.388 -6.558 1.00 0.00 C ATOM 1309 C LEU A 90 -2.269 -1.878 -6.704 1.00 0.00 C ATOM 1310 O LEU A 90 -3.430 -2.122 -7.158 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.197 0.316 -5.096 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.691 0.743 -4.649 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.464 1.718 -5.486 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -4.491 -0.399 -4.125 1.00 0.00 C ATOM 0 H LEU A 90 -3.012 0.958 -7.636 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.670 -0.475 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.845 -0.368 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.597 1.223 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.468 1.403 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.443 1.887 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.921 2.662 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.591 1.315 -6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.483 -0.048 -3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.583 -1.163 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.993 -0.822 -3.252 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.332 -2.848 -6.302 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.535 -4.335 -6.277 1.00 0.00 C ATOM 1328 C TYR A 91 -1.392 -4.885 -4.819 1.00 0.00 C ATOM 1329 O TYR A 91 -0.223 -4.920 -4.212 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.576 -5.098 -7.357 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.942 -6.582 -7.814 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.213 -6.937 -8.322 1.00 0.00 C ATOM 1333 CD2 TYR A 91 -0.001 -7.580 -7.706 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.511 -8.202 -8.684 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.280 -8.872 -8.080 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.541 -9.189 -8.571 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.821 -10.480 -8.959 1.00 0.00 O ATOM 0 H TYR A 91 -0.400 -2.584 -5.983 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.555 -4.551 -6.595 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.536 -4.480 -8.254 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.431 -5.122 -6.941 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.968 -6.172 -8.423 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.979 -7.342 -7.319 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.495 -8.445 -9.058 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.477 -9.638 -7.993 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.032 -11.043 -8.814 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.628 -5.322 -4.307 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.899 -5.857 -2.868 1.00 0.00 C ATOM 1349 C VAL A 92 -3.141 -7.495 -2.769 1.00 0.00 C ATOM 1350 O VAL A 92 -3.561 -8.146 -3.782 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.097 -4.979 -2.060 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.781 -3.476 -1.896 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.524 -5.154 -2.650 1.00 0.00 C ATOM 0 H VAL A 92 -3.473 -5.315 -4.879 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.962 -5.685 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.090 -5.430 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.600 -2.988 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.860 -3.358 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.660 -3.020 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.232 -4.558 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.531 -4.823 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.811 -6.204 -2.602 1.00 0.00 H new ATOM 1363 N MET A 93 -2.931 -8.052 -1.473 1.00 0.00 N ATOM 1364 CA MET A 93 -2.974 -9.570 -1.066 1.00 0.00 C ATOM 1365 C MET A 93 -3.929 -9.902 0.182 1.00 0.00 C ATOM 1366 O MET A 93 -3.730 -9.357 1.312 1.00 0.00 O ATOM 1367 CB MET A 93 -1.466 -10.261 -0.938 1.00 0.00 C ATOM 1368 CG MET A 93 -0.399 -9.656 0.072 1.00 0.00 C ATOM 1369 SD MET A 93 1.170 -10.548 0.040 1.00 0.00 S ATOM 1370 CE MET A 93 2.107 -9.633 1.263 1.00 0.00 C ATOM 0 H MET A 93 -2.725 -7.454 -0.673 1.00 0.00 H new ATOM 0 HA MET A 93 -3.456 -10.059 -1.913 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.610 -11.307 -0.669 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.017 -10.246 -1.931 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.223 -8.609 -0.175 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.806 -9.681 1.083 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.103 -10.066 1.357 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.192 -8.592 0.952 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.597 -9.684 2.225 1.00 0.00 H new ATOM 1380 N ARG A 94 -4.967 -10.825 -0.090 1.00 0.00 N ATOM 1381 CA ARG A 94 -5.980 -11.403 0.915 1.00 0.00 C ATOM 1382 C ARG A 94 -5.970 -12.992 0.927 1.00 0.00 C ATOM 1383 O ARG A 94 -6.130 -13.646 -0.144 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.493 -10.716 0.887 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.315 -10.661 -0.458 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.701 -10.051 -0.247 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.522 -10.028 -1.529 1.00 0.00 N ATOM 1388 CZ ARG A 94 -11.898 -9.722 -1.726 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.767 -9.378 -0.721 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -12.377 -9.773 -2.963 1.00 0.00 N ATOM 0 H ARG A 94 -5.117 -11.188 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.616 -11.091 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.103 -11.248 1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.389 -9.692 1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.767 -10.075 -1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.418 -11.668 -0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.235 -10.621 0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.595 -9.035 0.132 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.007 -10.269 -2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.438 -9.329 0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.742 -9.172 -0.938 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.763 -10.026 -3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.359 -9.559 -3.139 1.00 0.00 H new ATOM 1404 N ARG A 95 -5.774 -13.577 2.194 1.00 0.00 N ATOM 1405 CA ARG A 95 -5.631 -15.094 2.521 1.00 0.00 C ATOM 1406 C ARG A 95 -6.972 -15.951 2.499 1.00 0.00 C ATOM 1407 O ARG A 95 -8.059 -15.483 2.956 1.00 0.00 O ATOM 1408 CB ARG A 95 -4.780 -15.358 3.847 1.00 0.00 C ATOM 1409 CG ARG A 95 -3.252 -15.262 3.684 1.00 0.00 C ATOM 1410 CD ARG A 95 -2.535 -15.648 4.973 1.00 0.00 C ATOM 1411 NE ARG A 95 -1.022 -15.532 4.853 1.00 0.00 N ATOM 1412 CZ ARG A 95 -0.008 -15.795 5.817 1.00 0.00 C ATOM 1413 NH1 ARG A 95 -0.251 -16.241 7.093 1.00 0.00 N ATOM 1414 NH2 ARG A 95 1.255 -15.603 5.460 1.00 0.00 N ATOM 0 H ARG A 95 -5.709 -13.002 3.034 1.00 0.00 H new ATOM 0 HA ARG A 95 -5.067 -15.473 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -5.093 -14.642 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -5.026 -16.351 4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -2.928 -15.916 2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.977 -14.246 3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.882 -15.008 5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.798 -16.672 5.239 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.683 -15.218 3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.209 -16.405 7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.527 -16.409 7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.475 -15.276 4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.006 -15.782 6.126 1.00 0.00 H new ATOM 1428 N LYS A 96 -6.817 -17.235 1.914 1.00 0.00 N ATOM 1429 CA LYS A 96 -7.889 -18.330 1.691 1.00 0.00 C ATOM 1430 C LYS A 96 -8.492 -19.067 3.058 1.00 0.00 C ATOM 1431 O LYS A 96 -7.651 -19.499 3.900 1.00 0.00 O ATOM 1432 CB LYS A 96 -7.443 -19.398 0.506 1.00 0.00 C ATOM 1433 CG LYS A 96 -6.055 -20.235 0.594 1.00 0.00 C ATOM 1434 CD LYS A 96 -6.126 -21.568 1.445 1.00 0.00 C ATOM 1435 CE LYS A 96 -4.782 -22.365 1.511 1.00 0.00 C ATOM 1436 NZ LYS A 96 -3.726 -21.756 2.416 1.00 0.00 N ATOM 0 H LYS A 96 -5.905 -17.540 1.575 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.758 -17.779 1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.248 -20.128 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.417 -18.839 -0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.735 -20.485 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.287 -19.590 1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.438 -21.321 2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.897 -22.213 1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.993 -23.378 1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.374 -22.447 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.871 -22.348 2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.492 -20.800 2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.091 -21.703 3.388 1.00 0.00 H new ATOM 1450 N PRO A 97 -10.014 -19.181 3.315 1.00 0.00 N ATOM 1451 CA PRO A 97 -10.628 -19.936 4.532 1.00 0.00 C ATOM 1452 C PRO A 97 -10.550 -21.611 4.485 1.00 0.00 C ATOM 1453 O PRO A 97 -10.638 -22.169 3.345 1.00 0.00 O ATOM 1454 CB PRO A 97 -12.127 -19.440 4.560 1.00 0.00 C ATOM 1455 CG PRO A 97 -12.200 -18.258 3.624 1.00 0.00 C ATOM 1456 CD PRO A 97 -11.184 -18.520 2.539 1.00 0.00 C ATOM 0 HA PRO A 97 -10.051 -19.709 5.429 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.804 -20.232 4.240 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -12.424 -19.155 5.570 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -13.201 -18.155 3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.978 -17.330 4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.579 -19.178 1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.873 -17.599 2.046 1.00 0.00 H new ATOM 1464 N PRO A 98 -10.341 -22.457 5.769 1.00 0.00 N ATOM 1465 CA PRO A 98 -10.311 -24.023 5.786 1.00 0.00 C ATOM 1466 C PRO A 98 -11.714 -24.787 5.468 1.00 0.00 C ATOM 1467 O PRO A 98 -12.812 -24.353 5.955 1.00 0.00 O ATOM 1468 CB PRO A 98 -9.769 -24.364 7.234 1.00 0.00 C ATOM 1469 CG PRO A 98 -9.176 -23.084 7.766 1.00 0.00 C ATOM 1470 CD PRO A 98 -10.028 -21.970 7.210 1.00 0.00 C ATOM 0 HA PRO A 98 -9.690 -24.387 4.968 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.573 -24.719 7.878 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -9.020 -25.155 7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.183 -23.074 8.856 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.138 -22.975 7.453 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.937 -21.827 7.794 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -9.497 -21.018 7.208 1.00 0.00 H new ATOM 1478 N ALA A 99 -11.601 -25.910 4.588 1.00 0.00 N ATOM 1479 CA ALA A 99 -12.740 -26.813 4.116 1.00 0.00 C ATOM 1480 C ALA A 99 -12.667 -28.272 4.735 1.00 0.00 C ATOM 1481 O ALA A 99 -13.553 -28.591 5.560 1.00 0.00 O ATOM 1482 CB ALA A 99 -12.874 -26.813 2.545 1.00 0.00 C ATOM 1483 OXT ALA A 99 -11.693 -29.048 4.442 1.00 0.00 O ATOM 0 H ALA A 99 -10.701 -26.193 4.199 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.663 -26.383 4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.695 -27.467 2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.074 -25.800 2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.946 -27.173 2.101 1.00 0.00 H new TER 1489 ALA A 99 ATOM 1490 N VAL B 1 5.435 -1.571 19.225 1.00 0.00 N ATOM 1491 CA VAL B 1 6.101 -0.538 18.305 1.00 0.00 C ATOM 1492 C VAL B 1 7.316 0.200 18.941 1.00 0.00 C ATOM 1493 O VAL B 1 7.191 0.828 20.040 1.00 0.00 O ATOM 1494 CB VAL B 1 5.111 0.438 17.389 1.00 0.00 C ATOM 1495 CG1 VAL B 1 4.511 -0.345 16.222 1.00 0.00 C ATOM 1496 CG2 VAL B 1 3.947 1.183 18.169 1.00 0.00 C ATOM 0 H1 VAL B 1 4.637 -2.016 18.727 1.00 0.00 H new ATOM 0 H2 VAL B 1 6.129 -2.300 19.488 1.00 0.00 H new ATOM 0 H3 VAL B 1 5.087 -1.098 20.083 1.00 0.00 H new ATOM 0 HA VAL B 1 6.518 -1.189 17.536 1.00 0.00 H new ATOM 0 HB VAL B 1 5.777 1.227 17.040 1.00 0.00 H new ATOM 0 HG11 VAL B 1 3.867 0.311 15.636 1.00 0.00 H new ATOM 0 HG12 VAL B 1 5.313 -0.726 15.589 1.00 0.00 H new ATOM 0 HG13 VAL B 1 3.924 -1.179 16.607 1.00 0.00 H new ATOM 0 HG21 VAL B 1 3.370 1.788 17.470 1.00 0.00 H new ATOM 0 HG22 VAL B 1 3.294 0.447 18.637 1.00 0.00 H new ATOM 0 HG23 VAL B 1 4.377 1.827 18.936 1.00 0.00 H new ATOM 1508 N VAL B 2 8.496 0.094 18.191 1.00 0.00 N ATOM 1509 CA VAL B 2 9.889 0.638 18.591 1.00 0.00 C ATOM 1510 C VAL B 2 10.367 1.980 17.872 1.00 0.00 C ATOM 1511 O VAL B 2 10.969 2.853 18.571 1.00 0.00 O ATOM 1512 CB VAL B 2 11.123 -0.491 18.732 1.00 0.00 C ATOM 1513 CG1 VAL B 2 10.951 -1.403 19.963 1.00 0.00 C ATOM 1514 CG2 VAL B 2 11.386 -1.391 17.451 1.00 0.00 C ATOM 0 H VAL B 2 8.511 -0.374 17.285 1.00 0.00 H new ATOM 0 HA VAL B 2 9.668 0.938 19.615 1.00 0.00 H new ATOM 0 HB VAL B 2 12.005 0.138 18.852 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.776 -2.114 20.007 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.947 -0.796 20.868 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.008 -1.945 19.886 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.203 -2.083 17.654 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.484 -1.954 17.211 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.651 -0.754 16.607 1.00 0.00 H new ATOM 1524 N SER B 3 10.041 2.144 16.465 1.00 0.00 N ATOM 1525 CA SER B 3 10.572 3.296 15.593 1.00 0.00 C ATOM 1526 C SER B 3 9.482 4.032 14.770 1.00 0.00 C ATOM 1527 O SER B 3 9.356 5.278 14.878 1.00 0.00 O ATOM 1528 CB SER B 3 11.835 2.931 14.704 1.00 0.00 C ATOM 1529 OG SER B 3 12.967 2.600 15.501 1.00 0.00 O ATOM 0 H SER B 3 9.433 1.500 15.959 1.00 0.00 H new ATOM 0 HA SER B 3 10.929 4.010 16.335 1.00 0.00 H new ATOM 0 HB2 SER B 3 11.591 2.091 14.054 1.00 0.00 H new ATOM 0 HB3 SER B 3 12.080 3.774 14.058 1.00 0.00 H new ATOM 0 HG SER B 3 13.724 2.380 14.919 1.00 0.00 H new ATOM 1535 N GLU B 4 8.624 3.192 13.931 1.00 0.00 N ATOM 1536 CA GLU B 4 7.498 3.574 12.945 1.00 0.00 C ATOM 1537 C GLU B 4 7.970 4.517 11.718 1.00 0.00 C ATOM 1538 O GLU B 4 8.184 3.987 10.604 1.00 0.00 O ATOM 1539 CB GLU B 4 6.085 3.982 13.690 1.00 0.00 C ATOM 1540 CG GLU B 4 4.773 3.801 12.893 1.00 0.00 C ATOM 1541 CD GLU B 4 3.479 4.129 13.684 1.00 0.00 C ATOM 1542 OE1 GLU B 4 3.059 5.320 13.703 1.00 0.00 O ATOM 1543 OE2 GLU B 4 2.874 3.188 14.266 1.00 0.00 O ATOM 0 H GLU B 4 8.739 2.179 13.956 1.00 0.00 H new ATOM 0 HA GLU B 4 7.240 2.654 12.421 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.006 3.393 14.604 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.154 5.028 13.989 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.812 4.436 12.008 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.716 2.770 12.543 1.00 0.00 H new ATOM 1550 N ARG B 5 8.151 5.944 11.995 1.00 0.00 N ATOM 1551 CA ARG B 5 8.457 7.115 10.982 1.00 0.00 C ATOM 1552 C ARG B 5 7.563 7.095 9.642 1.00 0.00 C ATOM 1553 O ARG B 5 8.057 6.783 8.488 1.00 0.00 O ATOM 1554 CB ARG B 5 10.030 7.454 10.758 1.00 0.00 C ATOM 1555 CG ARG B 5 10.759 8.153 11.924 1.00 0.00 C ATOM 1556 CD ARG B 5 12.213 8.456 11.556 1.00 0.00 C ATOM 1557 NE ARG B 5 12.957 9.194 12.660 1.00 0.00 N ATOM 1558 CZ ARG B 5 14.252 9.782 12.644 1.00 0.00 C ATOM 1559 NH1 ARG B 5 15.090 9.778 11.555 1.00 0.00 N ATOM 1560 NH2 ARG B 5 14.681 10.379 13.749 1.00 0.00 N ATOM 0 H ARG B 5 8.083 6.295 12.950 1.00 0.00 H new ATOM 0 HA ARG B 5 8.102 7.998 11.513 1.00 0.00 H new ATOM 0 HB2 ARG B 5 10.552 6.522 10.540 1.00 0.00 H new ATOM 0 HB3 ARG B 5 10.120 8.084 9.873 1.00 0.00 H new ATOM 0 HG2 ARG B 5 10.243 9.079 12.177 1.00 0.00 H new ATOM 0 HG3 ARG B 5 10.729 7.519 12.810 1.00 0.00 H new ATOM 0 HD2 ARG B 5 12.730 7.522 11.337 1.00 0.00 H new ATOM 0 HD3 ARG B 5 12.236 9.054 10.645 1.00 0.00 H new ATOM 0 HE ARG B 5 12.452 9.280 13.542 1.00 0.00 H new ATOM 0 HH11 ARG B 5 14.795 9.333 10.686 1.00 0.00 H new ATOM 0 HH12 ARG B 5 16.007 10.220 11.616 1.00 0.00 H new ATOM 0 HH21 ARG B 5 14.087 10.407 14.577 1.00 0.00 H new ATOM 0 HH22 ARG B 5 15.605 10.810 13.770 1.00 0.00 H new ATOM 1574 N ILE B 6 6.173 7.314 9.890 1.00 0.00 N ATOM 1575 CA ILE B 6 5.086 7.213 8.850 1.00 0.00 C ATOM 1576 C ILE B 6 4.779 8.638 8.100 1.00 0.00 C ATOM 1577 O ILE B 6 5.569 9.013 7.206 1.00 0.00 O ATOM 1578 CB ILE B 6 3.768 6.183 9.300 1.00 0.00 C ATOM 1579 CG1 ILE B 6 2.963 5.658 7.946 1.00 0.00 C ATOM 1580 CG2 ILE B 6 2.845 6.753 10.509 1.00 0.00 C ATOM 1581 CD1 ILE B 6 1.788 4.586 7.975 1.00 0.00 C ATOM 0 H ILE B 6 5.817 7.560 10.813 1.00 0.00 H new ATOM 0 HA ILE B 6 5.473 6.632 8.013 1.00 0.00 H new ATOM 0 HB ILE B 6 4.182 5.291 9.769 1.00 0.00 H new ATOM 0 HG12 ILE B 6 2.552 6.549 7.470 1.00 0.00 H new ATOM 0 HG13 ILE B 6 3.723 5.260 7.274 1.00 0.00 H new ATOM 0 HG21 ILE B 6 2.046 6.043 10.723 1.00 0.00 H new ATOM 0 HG22 ILE B 6 3.457 6.890 11.401 1.00 0.00 H new ATOM 0 HG23 ILE B 6 2.412 7.709 10.216 1.00 0.00 H new ATOM 0 HD11 ILE B 6 1.428 4.413 6.961 1.00 0.00 H new ATOM 0 HD12 ILE B 6 2.160 3.650 8.392 1.00 0.00 H new ATOM 0 HD13 ILE B 6 0.970 4.959 8.592 1.00 0.00 H new ATOM 1593 N SER B 7 3.623 9.422 8.526 1.00 0.00 N ATOM 1594 CA SER B 7 3.047 10.798 7.887 1.00 0.00 C ATOM 1595 C SER B 7 2.884 10.807 6.230 1.00 0.00 C ATOM 1596 O SER B 7 2.756 11.888 5.556 1.00 0.00 O ATOM 1597 CB SER B 7 3.827 12.085 8.460 1.00 0.00 C ATOM 1598 OG SER B 7 3.644 12.233 9.863 1.00 0.00 O ATOM 0 H SER B 7 3.060 9.122 9.322 1.00 0.00 H new ATOM 0 HA SER B 7 2.014 10.858 8.229 1.00 0.00 H new ATOM 0 HB2 SER B 7 4.891 11.993 8.240 1.00 0.00 H new ATOM 0 HB3 SER B 7 3.473 12.981 7.951 1.00 0.00 H new ATOM 0 HG SER B 7 4.133 13.023 10.175 1.00 0.00 H new ATOM 1604 N SER B 8 2.731 9.506 5.661 1.00 0.00 N ATOM 1605 CA SER B 8 2.784 9.077 4.190 1.00 0.00 C ATOM 1606 C SER B 8 1.414 9.320 3.335 1.00 0.00 C ATOM 1607 O SER B 8 0.478 10.010 3.832 1.00 0.00 O ATOM 1608 CB SER B 8 3.323 7.571 4.131 1.00 0.00 C ATOM 1609 OG SER B 8 4.650 7.444 4.642 1.00 0.00 O ATOM 0 H SER B 8 2.559 8.703 6.265 1.00 0.00 H new ATOM 0 HA SER B 8 3.478 9.740 3.674 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.654 6.927 4.702 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.300 7.220 3.099 1.00 0.00 H new ATOM 0 HG SER B 8 4.735 7.968 5.466 1.00 0.00 H new ATOM 1615 N VAL B 9 1.368 8.755 2.019 1.00 0.00 N ATOM 1616 CA VAL B 9 0.267 8.948 0.967 1.00 0.00 C ATOM 1617 C VAL B 9 -0.497 7.555 0.728 1.00 0.00 C ATOM 1618 O VAL B 9 -1.715 7.550 0.873 1.00 0.00 O ATOM 1619 CB VAL B 9 0.819 9.665 -0.499 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.304 10.280 -1.347 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.887 10.795 -0.329 1.00 0.00 C ATOM 1622 OXT VAL B 9 0.146 6.550 0.426 1.00 0.00 O ATOM 0 H VAL B 9 2.115 8.149 1.679 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.442 9.675 1.363 1.00 0.00 H new ATOM 0 HB VAL B 9 1.268 8.805 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.120 10.712 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -1.023 9.506 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.807 11.059 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL B 9 2.168 11.180 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.470 11.603 0.272 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.769 10.391 0.169 1.00 0.00 H new TER 1632 VAL B 9