USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN :FLIP amide:sc= -6.78! C(o=-17!,f=-14!) USER MOD Set 1.2: A 78 GLN : amide:sc= -1.05 K(o=-14,f=-22!) USER MOD Set 1.3: A 89 GLN : amide:sc= -6.09! C(o=-14!,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0898 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0922 USER MOD Single : A 20 THR OG1 : rot -54:sc= -1.45 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= -0.241 (180deg=-0.29) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 110:sc= -6.73! USER MOD Single : A 44 MET CE :methyl -162:sc= -10! (180deg=-12.9!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.424 F(o=-1.2,f=-0.42) USER MOD Single : A 51 THR OG1 : rot 130:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 30:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 76 TYR OH : rot 91:sc= 0.678 USER MOD Single : A 79 LYS NZ :NH3+ -143:sc= -2.35 (180deg=-4.77!) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.968 F(o=-1.8,f=-0.97) USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= 1.15 (180deg=1.04) USER MOD Single : A 97 SER OG : rot 63:sc= 0.0485 USER MOD Single : A 99 ASN : amide:sc= -1.84! C(o=-1.8!,f=-3.3!) USER MOD Single : A 105 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.0036) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.045 0.749 -17.928 1.00 0.00 N ATOM 2 CA MET A 1 -10.935 0.934 -16.795 1.00 0.00 C ATOM 3 C MET A 1 -10.240 1.710 -15.674 1.00 0.00 C ATOM 4 O MET A 1 -9.022 1.873 -15.689 1.00 0.00 O ATOM 5 CB MET A 1 -11.384 -0.431 -16.270 1.00 0.00 C ATOM 6 CG MET A 1 -12.707 -0.856 -16.910 1.00 0.00 C ATOM 7 SD MET A 1 -13.377 -2.266 -16.045 1.00 0.00 S ATOM 8 CE MET A 1 -14.838 -2.566 -17.027 1.00 0.00 C ATOM 0 H1 MET A 1 -10.082 -0.242 -18.241 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.342 1.369 -18.708 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.072 0.987 -17.648 1.00 0.00 H new ATOM 0 HA MET A 1 -11.801 1.508 -17.126 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.617 -1.176 -16.482 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.497 -0.389 -15.187 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.417 -0.030 -16.880 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.550 -1.104 -17.960 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.379 -3.421 -16.622 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.480 -1.685 -17.003 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.548 -2.775 -18.057 1.00 0.00 H new ATOM 16 N PRO A 2 -11.069 2.181 -14.703 1.00 0.00 N ATOM 17 CA PRO A 2 -10.548 2.936 -13.575 1.00 0.00 C ATOM 18 C PRO A 2 -9.844 2.015 -12.577 1.00 0.00 C ATOM 19 O PRO A 2 -9.823 0.798 -12.758 1.00 0.00 O ATOM 20 CB PRO A 2 -11.756 3.642 -12.983 1.00 0.00 C ATOM 21 CG PRO A 2 -12.973 2.898 -13.507 1.00 0.00 C ATOM 22 CD PRO A 2 -12.518 2.008 -14.652 1.00 0.00 C ATOM 0 HA PRO A 2 -9.786 3.658 -13.868 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.725 3.621 -11.894 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.781 4.690 -13.281 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.425 2.300 -12.715 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.732 3.601 -13.849 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.786 0.967 -14.475 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -12.985 2.302 -15.592 1.00 0.00 H new ATOM 27 N VAL A 3 -9.285 2.630 -11.546 1.00 0.00 N ATOM 28 CA VAL A 3 -8.583 1.881 -10.517 1.00 0.00 C ATOM 29 C VAL A 3 -9.134 2.267 -9.144 1.00 0.00 C ATOM 30 O VAL A 3 -8.731 3.278 -8.571 1.00 0.00 O ATOM 31 CB VAL A 3 -7.075 2.108 -10.643 1.00 0.00 C ATOM 32 CG1 VAL A 3 -6.690 3.507 -10.156 1.00 0.00 C ATOM 33 CG2 VAL A 3 -6.293 1.031 -9.888 1.00 0.00 C ATOM 0 H VAL A 3 -9.304 3.639 -11.401 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.749 0.811 -10.643 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.812 2.035 -11.698 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.613 3.643 -10.256 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.208 4.256 -10.755 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.974 3.619 -9.110 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.224 1.216 -9.994 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.563 1.058 -8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.534 0.051 -10.299 1.00 0.00 H new ATOM 43 N THR A 4 -10.047 1.442 -8.655 1.00 0.00 N ATOM 44 CA THR A 4 -10.658 1.684 -7.359 1.00 0.00 C ATOM 45 C THR A 4 -9.825 1.042 -6.247 1.00 0.00 C ATOM 46 O THR A 4 -8.756 0.492 -6.508 1.00 0.00 O ATOM 47 CB THR A 4 -12.099 1.172 -7.412 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.744 1.837 -6.329 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.206 -0.312 -7.053 1.00 0.00 C ATOM 0 H THR A 4 -10.379 0.604 -9.133 1.00 0.00 H new ATOM 0 HA THR A 4 -10.685 2.749 -7.128 1.00 0.00 H new ATOM 0 HB THR A 4 -12.506 1.335 -8.410 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.684 1.564 -6.291 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.249 -0.625 -7.106 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.615 -0.900 -7.755 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.831 -0.470 -6.042 1.00 0.00 H new ATOM 57 N GLN A 5 -10.346 1.134 -5.033 1.00 0.00 N ATOM 58 CA GLN A 5 -9.664 0.568 -3.882 1.00 0.00 C ATOM 59 C GLN A 5 -9.450 -0.934 -4.077 1.00 0.00 C ATOM 60 O GLN A 5 -8.313 -1.398 -4.156 1.00 0.00 O ATOM 61 CB GLN A 5 -10.439 0.849 -2.593 1.00 0.00 C ATOM 62 CG GLN A 5 -9.753 0.200 -1.389 1.00 0.00 C ATOM 63 CD GLN A 5 -8.688 1.126 -0.800 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.589 1.228 -1.542 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -8.852 1.711 0.258 1.00 0.00 N flip ATOM 0 H GLN A 5 -11.232 1.592 -4.821 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.688 1.045 -3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.514 1.925 -2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.456 0.468 -2.686 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.496 -0.037 -0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.294 -0.742 -1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.720 1.589 0.779 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.121 2.322 0.622 1.00 0.00 H new ATOM 72 N GLU A 6 -10.560 -1.655 -4.148 1.00 0.00 N ATOM 73 CA GLU A 6 -10.508 -3.094 -4.332 1.00 0.00 C ATOM 74 C GLU A 6 -9.627 -3.445 -5.533 1.00 0.00 C ATOM 75 O GLU A 6 -9.175 -4.581 -5.666 1.00 0.00 O ATOM 76 CB GLU A 6 -11.913 -3.678 -4.494 1.00 0.00 C ATOM 77 CG GLU A 6 -12.347 -4.421 -3.230 1.00 0.00 C ATOM 78 CD GLU A 6 -13.827 -4.176 -2.930 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.683 -4.976 -3.336 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.076 -3.109 -2.247 1.00 0.00 O ATOM 0 H GLU A 6 -11.501 -1.268 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.066 -3.538 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.621 -2.878 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.932 -4.359 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.169 -5.489 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.742 -4.092 -2.385 1.00 0.00 H new ATOM 86 N GLU A 7 -9.410 -2.447 -6.377 1.00 0.00 N ATOM 87 CA GLU A 7 -8.591 -2.635 -7.563 1.00 0.00 C ATOM 88 C GLU A 7 -7.109 -2.684 -7.182 1.00 0.00 C ATOM 89 O GLU A 7 -6.366 -3.532 -7.674 1.00 0.00 O ATOM 90 CB GLU A 7 -8.857 -1.536 -8.593 1.00 0.00 C ATOM 91 CG GLU A 7 -9.544 -2.105 -9.836 1.00 0.00 C ATOM 92 CD GLU A 7 -8.560 -2.219 -11.003 1.00 0.00 C ATOM 93 OE1 GLU A 7 -7.340 -2.248 -10.784 1.00 0.00 O ATOM 94 OE2 GLU A 7 -9.103 -2.279 -12.171 1.00 0.00 O ATOM 0 H GLU A 7 -9.787 -1.506 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.860 -3.587 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.482 -0.761 -8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.917 -1.063 -8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.960 -3.087 -9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.378 -1.464 -10.120 1.00 0.00 H new ATOM 100 N ILE A 8 -6.725 -1.765 -6.309 1.00 0.00 N ATOM 101 CA ILE A 8 -5.346 -1.692 -5.858 1.00 0.00 C ATOM 102 C ILE A 8 -5.190 -2.511 -4.574 1.00 0.00 C ATOM 103 O ILE A 8 -4.084 -2.654 -4.056 1.00 0.00 O ATOM 104 CB ILE A 8 -4.905 -0.234 -5.714 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.464 0.622 -6.853 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.382 -0.129 -5.612 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.352 2.112 -6.524 1.00 0.00 C ATOM 0 H ILE A 8 -7.345 -1.065 -5.902 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.679 -2.131 -6.600 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.317 0.158 -4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.922 0.407 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.508 0.362 -7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.095 0.918 -5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.036 -0.686 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.928 -0.544 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.756 2.698 -7.349 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.915 2.327 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.305 2.373 -6.372 1.00 0.00 H new ATOM 118 N ILE A 9 -6.315 -3.026 -4.100 1.00 0.00 N ATOM 119 CA ILE A 9 -6.317 -3.826 -2.886 1.00 0.00 C ATOM 120 C ILE A 9 -6.489 -5.302 -3.255 1.00 0.00 C ATOM 121 O ILE A 9 -5.830 -6.168 -2.683 1.00 0.00 O ATOM 122 CB ILE A 9 -7.372 -3.310 -1.907 1.00 0.00 C ATOM 123 CG1 ILE A 9 -7.043 -1.889 -1.445 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.542 -4.271 -0.728 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.622 -1.616 -0.055 1.00 0.00 C ATOM 0 H ILE A 9 -7.230 -2.905 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.363 -3.735 -2.367 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.329 -3.266 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.962 -1.750 -1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.445 -1.169 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.298 -3.881 -0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.855 -5.248 -1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.594 -4.370 -0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.374 -0.599 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.705 -1.732 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.200 -2.322 0.660 1.00 0.00 H new ATOM 136 N ALA A 10 -7.379 -5.541 -4.208 1.00 0.00 N ATOM 137 CA ALA A 10 -7.645 -6.896 -4.659 1.00 0.00 C ATOM 138 C ALA A 10 -6.755 -7.214 -5.862 1.00 0.00 C ATOM 139 O ALA A 10 -6.309 -8.348 -6.027 1.00 0.00 O ATOM 140 CB ALA A 10 -9.134 -7.044 -4.979 1.00 0.00 C ATOM 0 H ALA A 10 -7.924 -4.819 -4.679 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.407 -7.615 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.334 -8.061 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.721 -6.837 -4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.409 -6.339 -5.764 1.00 0.00 H new ATOM 146 N GLY A 11 -6.523 -6.190 -6.671 1.00 0.00 N ATOM 147 CA GLY A 11 -5.695 -6.346 -7.854 1.00 0.00 C ATOM 148 C GLY A 11 -4.226 -6.546 -7.473 1.00 0.00 C ATOM 149 O GLY A 11 -3.525 -7.349 -8.088 1.00 0.00 O ATOM 0 H GLY A 11 -6.894 -5.250 -6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.043 -7.200 -8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.793 -5.466 -8.489 1.00 0.00 H new ATOM 153 N ILE A 12 -3.804 -5.803 -6.461 1.00 0.00 N ATOM 154 CA ILE A 12 -2.432 -5.888 -5.991 1.00 0.00 C ATOM 155 C ILE A 12 -2.279 -7.122 -5.099 1.00 0.00 C ATOM 156 O ILE A 12 -1.404 -7.955 -5.330 1.00 0.00 O ATOM 157 CB ILE A 12 -2.016 -4.582 -5.310 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.967 -3.431 -6.316 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.690 -4.750 -4.565 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.793 -2.495 -6.021 1.00 0.00 C ATOM 0 H ILE A 12 -4.388 -5.139 -5.953 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.749 -6.014 -6.831 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.772 -4.328 -4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.874 -3.830 -7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.901 -2.871 -6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.417 -3.807 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.796 -5.523 -3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.089 -5.040 -5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.781 -1.685 -6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.902 -2.079 -5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.141 -3.053 -6.083 1.00 0.00 H new ATOM 171 N ALA A 13 -3.145 -7.201 -4.099 1.00 0.00 N ATOM 172 CA ALA A 13 -3.117 -8.320 -3.171 1.00 0.00 C ATOM 173 C ALA A 13 -2.900 -9.618 -3.951 1.00 0.00 C ATOM 174 O ALA A 13 -2.064 -10.439 -3.576 1.00 0.00 O ATOM 175 CB ALA A 13 -4.412 -8.339 -2.357 1.00 0.00 C ATOM 0 H ALA A 13 -3.870 -6.509 -3.911 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.291 -8.216 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.392 -9.178 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.505 -7.407 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.263 -8.446 -3.030 1.00 0.00 H new ATOM 181 N GLU A 14 -3.665 -9.763 -5.023 1.00 0.00 N ATOM 182 CA GLU A 14 -3.566 -10.946 -5.858 1.00 0.00 C ATOM 183 C GLU A 14 -2.150 -11.083 -6.421 1.00 0.00 C ATOM 184 O GLU A 14 -1.568 -12.166 -6.394 1.00 0.00 O ATOM 185 CB GLU A 14 -4.602 -10.912 -6.984 1.00 0.00 C ATOM 186 CG GLU A 14 -5.940 -11.489 -6.517 1.00 0.00 C ATOM 187 CD GLU A 14 -6.872 -11.744 -7.702 1.00 0.00 C ATOM 188 OE1 GLU A 14 -6.510 -12.487 -8.627 1.00 0.00 O ATOM 189 OE2 GLU A 14 -8.009 -11.138 -7.643 1.00 0.00 O ATOM 0 H GLU A 14 -4.356 -9.080 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.777 -11.819 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.743 -9.885 -7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.235 -11.481 -7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.770 -12.420 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.414 -10.798 -5.819 1.00 0.00 H new ATOM 195 N ILE A 15 -1.635 -9.968 -6.919 1.00 0.00 N ATOM 196 CA ILE A 15 -0.299 -9.949 -7.487 1.00 0.00 C ATOM 197 C ILE A 15 0.719 -10.279 -6.394 1.00 0.00 C ATOM 198 O ILE A 15 1.679 -11.010 -6.635 1.00 0.00 O ATOM 199 CB ILE A 15 -0.035 -8.617 -8.192 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.824 -8.522 -9.499 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.464 -8.400 -8.411 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.493 -7.229 -10.247 1.00 0.00 C ATOM 0 H ILE A 15 -2.120 -9.071 -6.940 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.201 -10.715 -8.257 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.386 -7.813 -7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.594 -9.380 -10.130 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.892 -8.560 -9.286 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.624 -7.446 -8.914 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.975 -8.393 -7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.862 -9.206 -9.027 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.067 -7.187 -11.172 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.747 -6.372 -9.623 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.572 -7.205 -10.479 1.00 0.00 H new ATOM 213 N ILE A 16 0.477 -9.724 -5.216 1.00 0.00 N ATOM 214 CA ILE A 16 1.361 -9.950 -4.086 1.00 0.00 C ATOM 215 C ILE A 16 1.465 -11.453 -3.818 1.00 0.00 C ATOM 216 O ILE A 16 2.520 -11.944 -3.419 1.00 0.00 O ATOM 217 CB ILE A 16 0.898 -9.140 -2.873 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.915 -7.641 -3.176 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.729 -9.484 -1.635 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.945 -6.821 -1.884 1.00 0.00 C ATOM 0 H ILE A 16 -0.319 -9.118 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 16 2.367 -9.595 -4.312 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.134 -9.412 -2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.786 -7.399 -3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.034 -7.374 -3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.380 -8.895 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.622 -10.545 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.778 -9.258 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.957 -5.759 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.060 -7.047 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.840 -7.072 -1.314 1.00 0.00 H new ATOM 231 N GLU A 17 0.356 -12.141 -4.048 1.00 0.00 N ATOM 232 CA GLU A 17 0.310 -13.578 -3.836 1.00 0.00 C ATOM 233 C GLU A 17 1.047 -14.304 -4.964 1.00 0.00 C ATOM 234 O GLU A 17 1.129 -15.532 -4.966 1.00 0.00 O ATOM 235 CB GLU A 17 -1.135 -14.069 -3.721 1.00 0.00 C ATOM 236 CG GLU A 17 -1.183 -15.528 -3.265 1.00 0.00 C ATOM 237 CD GLU A 17 -1.606 -16.448 -4.413 1.00 0.00 C ATOM 238 OE1 GLU A 17 -1.398 -16.108 -5.587 1.00 0.00 O ATOM 239 OE2 GLU A 17 -2.168 -17.550 -4.048 1.00 0.00 O ATOM 0 H GLU A 17 -0.517 -11.730 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 17 0.812 -13.804 -2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.680 -13.445 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.635 -13.969 -4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.203 -15.829 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.882 -15.631 -2.435 1.00 0.00 H new ATOM 245 N GLU A 18 1.565 -13.515 -5.893 1.00 0.00 N ATOM 246 CA GLU A 18 2.293 -14.068 -7.024 1.00 0.00 C ATOM 247 C GLU A 18 3.797 -13.860 -6.839 1.00 0.00 C ATOM 248 O GLU A 18 4.586 -14.778 -7.061 1.00 0.00 O ATOM 249 CB GLU A 18 1.811 -13.453 -8.339 1.00 0.00 C ATOM 250 CG GLU A 18 0.304 -13.648 -8.517 1.00 0.00 C ATOM 251 CD GLU A 18 0.004 -14.517 -9.739 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.226 -15.727 -9.597 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.013 -13.893 -10.869 1.00 0.00 O ATOM 0 H GLU A 18 1.496 -12.497 -5.887 1.00 0.00 H new ATOM 0 HA GLU A 18 2.097 -15.139 -7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.048 -12.389 -8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.341 -13.910 -9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.114 -14.113 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.181 -12.678 -8.628 1.00 0.00 H new ATOM 259 N VAL A 19 4.149 -12.649 -6.434 1.00 0.00 N ATOM 260 CA VAL A 19 5.545 -12.310 -6.217 1.00 0.00 C ATOM 261 C VAL A 19 5.966 -12.768 -4.819 1.00 0.00 C ATOM 262 O VAL A 19 6.770 -13.689 -4.679 1.00 0.00 O ATOM 263 CB VAL A 19 5.761 -10.812 -6.446 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.233 -10.508 -6.732 1.00 0.00 C ATOM 265 CG2 VAL A 19 4.865 -10.295 -7.572 1.00 0.00 C ATOM 0 H VAL A 19 3.492 -11.891 -6.250 1.00 0.00 H new ATOM 0 HA VAL A 19 6.180 -12.830 -6.934 1.00 0.00 H new ATOM 0 HB VAL A 19 5.483 -10.289 -5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.359 -9.437 -6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.841 -10.823 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.549 -11.047 -7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.038 -9.228 -7.714 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.097 -10.826 -8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.820 -10.461 -7.311 1.00 0.00 H new ATOM 275 N THR A 20 5.403 -12.103 -3.820 1.00 0.00 N ATOM 276 CA THR A 20 5.710 -12.432 -2.438 1.00 0.00 C ATOM 277 C THR A 20 5.069 -13.766 -2.052 1.00 0.00 C ATOM 278 O THR A 20 5.568 -14.466 -1.171 1.00 0.00 O ATOM 279 CB THR A 20 5.254 -11.262 -1.562 1.00 0.00 C ATOM 280 OG1 THR A 20 3.833 -11.368 -1.554 1.00 0.00 O ATOM 281 CG2 THR A 20 5.521 -9.904 -2.214 1.00 0.00 C ATOM 0 H THR A 20 4.737 -11.339 -3.940 1.00 0.00 H new ATOM 0 HA THR A 20 6.782 -12.569 -2.292 1.00 0.00 H new ATOM 0 HB THR A 20 5.763 -11.310 -0.599 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.502 -11.396 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.179 -9.109 -1.552 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.590 -9.791 -2.395 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.984 -9.843 -3.161 1.00 0.00 H new ATOM 289 N GLY A 21 3.973 -14.077 -2.728 1.00 0.00 N ATOM 290 CA GLY A 21 3.259 -15.315 -2.466 1.00 0.00 C ATOM 291 C GLY A 21 2.400 -15.198 -1.206 1.00 0.00 C ATOM 292 O GLY A 21 2.043 -16.205 -0.596 1.00 0.00 O ATOM 0 H GLY A 21 3.562 -13.493 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.627 -15.562 -3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.971 -16.132 -2.350 1.00 0.00 H new ATOM 296 N ILE A 22 2.093 -13.958 -0.852 1.00 0.00 N ATOM 297 CA ILE A 22 1.283 -13.695 0.325 1.00 0.00 C ATOM 298 C ILE A 22 -0.195 -13.877 -0.027 1.00 0.00 C ATOM 299 O ILE A 22 -0.550 -13.965 -1.201 1.00 0.00 O ATOM 300 CB ILE A 22 1.612 -12.318 0.906 1.00 0.00 C ATOM 301 CG1 ILE A 22 3.087 -12.228 1.303 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.682 -11.978 2.072 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.551 -10.771 1.363 1.00 0.00 C ATOM 0 H ILE A 22 2.391 -13.125 -1.360 1.00 0.00 H new ATOM 0 HA ILE A 22 1.514 -14.411 1.114 1.00 0.00 H new ATOM 0 HB ILE A 22 1.442 -11.571 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.235 -12.701 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.695 -12.778 0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.937 -10.994 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.351 -11.972 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.796 -12.725 2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.603 -10.735 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.424 -10.308 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.957 -10.230 2.100 1.00 0.00 H new ATOM 314 N GLU A 23 -1.016 -13.927 1.012 1.00 0.00 N ATOM 315 CA GLU A 23 -2.447 -14.097 0.826 1.00 0.00 C ATOM 316 C GLU A 23 -3.063 -12.819 0.253 1.00 0.00 C ATOM 317 O GLU A 23 -2.556 -11.723 0.484 1.00 0.00 O ATOM 318 CB GLU A 23 -3.127 -14.492 2.139 1.00 0.00 C ATOM 319 CG GLU A 23 -3.566 -15.958 2.110 1.00 0.00 C ATOM 320 CD GLU A 23 -2.384 -16.877 1.793 1.00 0.00 C ATOM 321 OE1 GLU A 23 -1.464 -17.008 2.614 1.00 0.00 O ATOM 322 OE2 GLU A 23 -2.446 -17.469 0.649 1.00 0.00 O ATOM 0 H GLU A 23 -0.718 -13.853 1.985 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.608 -14.906 0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.441 -14.330 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.993 -13.853 2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.996 -16.232 3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.347 -16.093 1.362 1.00 0.00 H new ATOM 328 N PRO A 24 -4.177 -13.008 -0.504 1.00 0.00 N ATOM 329 CA PRO A 24 -4.868 -11.884 -1.112 1.00 0.00 C ATOM 330 C PRO A 24 -5.668 -11.103 -0.069 1.00 0.00 C ATOM 331 O PRO A 24 -5.568 -9.878 0.006 1.00 0.00 O ATOM 332 CB PRO A 24 -5.743 -12.498 -2.193 1.00 0.00 C ATOM 333 CG PRO A 24 -5.863 -13.973 -1.844 1.00 0.00 C ATOM 334 CD PRO A 24 -4.806 -14.292 -0.799 1.00 0.00 C ATOM 0 HA PRO A 24 -4.184 -11.152 -1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.723 -12.022 -2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.297 -12.365 -3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.859 -14.195 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.720 -14.588 -2.732 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.252 -14.729 0.094 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.080 -15.011 -1.177 1.00 0.00 H new ATOM 339 N SER A 25 -6.443 -11.841 0.711 1.00 0.00 N ATOM 340 CA SER A 25 -7.260 -11.232 1.747 1.00 0.00 C ATOM 341 C SER A 25 -6.365 -10.650 2.844 1.00 0.00 C ATOM 342 O SER A 25 -6.776 -9.744 3.569 1.00 0.00 O ATOM 343 CB SER A 25 -8.239 -12.244 2.343 1.00 0.00 C ATOM 344 OG SER A 25 -9.574 -11.747 2.364 1.00 0.00 O ATOM 0 H SER A 25 -6.523 -12.856 0.647 1.00 0.00 H new ATOM 0 HA SER A 25 -7.841 -10.428 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.205 -13.166 1.763 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.929 -12.494 3.358 1.00 0.00 H new ATOM 0 HG SER A 25 -10.169 -12.423 2.750 1.00 0.00 H new ATOM 349 N GLU A 26 -5.160 -11.193 2.931 1.00 0.00 N ATOM 350 CA GLU A 26 -4.205 -10.739 3.926 1.00 0.00 C ATOM 351 C GLU A 26 -3.844 -9.272 3.686 1.00 0.00 C ATOM 352 O GLU A 26 -3.773 -8.484 4.628 1.00 0.00 O ATOM 353 CB GLU A 26 -2.953 -11.619 3.926 1.00 0.00 C ATOM 354 CG GLU A 26 -2.239 -11.559 5.278 1.00 0.00 C ATOM 355 CD GLU A 26 -0.853 -12.200 5.196 1.00 0.00 C ATOM 356 OE1 GLU A 26 -0.695 -13.258 4.569 1.00 0.00 O ATOM 357 OE2 GLU A 26 0.082 -11.559 5.811 1.00 0.00 O ATOM 0 H GLU A 26 -4.823 -11.944 2.328 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.668 -10.822 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.229 -12.649 3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.275 -11.292 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.145 -10.521 5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.837 -12.072 6.032 1.00 0.00 H new ATOM 363 N ILE A 27 -3.625 -8.949 2.420 1.00 0.00 N ATOM 364 CA ILE A 27 -3.273 -7.591 2.044 1.00 0.00 C ATOM 365 C ILE A 27 -4.426 -6.652 2.406 1.00 0.00 C ATOM 366 O ILE A 27 -5.593 -7.013 2.267 1.00 0.00 O ATOM 367 CB ILE A 27 -2.872 -7.530 0.568 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.419 -7.971 0.377 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.131 -6.139 -0.014 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.045 -9.072 1.371 1.00 0.00 C ATOM 0 H ILE A 27 -3.685 -9.605 1.641 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.399 -7.256 2.602 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.497 -8.231 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.276 -8.332 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.755 -7.116 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.837 -6.123 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.191 -5.901 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.549 -5.400 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.008 -9.367 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.166 -8.700 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.694 -9.934 1.220 1.00 0.00 H new ATOM 381 N THR A 28 -4.057 -5.464 2.865 1.00 0.00 N ATOM 382 CA THR A 28 -5.045 -4.470 3.248 1.00 0.00 C ATOM 383 C THR A 28 -4.440 -3.066 3.187 1.00 0.00 C ATOM 384 O THR A 28 -3.223 -2.913 3.094 1.00 0.00 O ATOM 385 CB THR A 28 -5.576 -4.843 4.634 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.480 -5.503 5.260 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.670 -5.910 4.573 1.00 0.00 C ATOM 0 H THR A 28 -3.088 -5.168 2.980 1.00 0.00 H new ATOM 0 HA THR A 28 -5.885 -4.458 2.554 1.00 0.00 H new ATOM 0 HB THR A 28 -5.966 -3.952 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.737 -5.778 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.012 -6.138 5.582 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.507 -5.539 3.981 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.272 -6.814 4.112 1.00 0.00 H new ATOM 395 N PRO A 29 -5.342 -2.049 3.242 1.00 0.00 N ATOM 396 CA PRO A 29 -4.910 -0.663 3.193 1.00 0.00 C ATOM 397 C PRO A 29 -4.293 -0.233 4.525 1.00 0.00 C ATOM 398 O PRO A 29 -4.567 0.861 5.017 1.00 0.00 O ATOM 399 CB PRO A 29 -6.160 0.126 2.835 1.00 0.00 C ATOM 400 CG PRO A 29 -7.334 -0.786 3.152 1.00 0.00 C ATOM 401 CD PRO A 29 -6.791 -2.192 3.350 1.00 0.00 C ATOM 0 HA PRO A 29 -4.123 -0.493 2.458 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.217 1.050 3.411 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.157 0.406 1.782 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.850 -0.446 4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.061 -0.768 2.340 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.078 -2.594 4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.179 -2.876 2.595 1.00 0.00 H new ATOM 406 N GLU A 30 -3.472 -1.118 5.073 1.00 0.00 N ATOM 407 CA GLU A 30 -2.815 -0.844 6.340 1.00 0.00 C ATOM 408 C GLU A 30 -1.349 -1.280 6.281 1.00 0.00 C ATOM 409 O GLU A 30 -0.645 -1.238 7.289 1.00 0.00 O ATOM 410 CB GLU A 30 -3.545 -1.531 7.496 1.00 0.00 C ATOM 411 CG GLU A 30 -4.959 -0.971 7.660 1.00 0.00 C ATOM 412 CD GLU A 30 -5.078 -0.147 8.943 1.00 0.00 C ATOM 413 OE1 GLU A 30 -4.627 -0.591 10.010 1.00 0.00 O ATOM 414 OE2 GLU A 30 -5.664 0.995 8.806 1.00 0.00 O ATOM 0 H GLU A 30 -3.247 -2.024 4.663 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.848 0.230 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.594 -2.605 7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.984 -1.390 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.210 -0.350 6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.678 -1.790 7.682 1.00 0.00 H new ATOM 420 N LYS A 31 -0.933 -1.687 5.091 1.00 0.00 N ATOM 421 CA LYS A 31 0.436 -2.130 4.888 1.00 0.00 C ATOM 422 C LYS A 31 1.381 -0.937 5.041 1.00 0.00 C ATOM 423 O LYS A 31 0.938 0.210 5.072 1.00 0.00 O ATOM 424 CB LYS A 31 0.572 -2.853 3.547 1.00 0.00 C ATOM 425 CG LYS A 31 -0.395 -4.036 3.461 1.00 0.00 C ATOM 426 CD LYS A 31 0.353 -5.335 3.159 1.00 0.00 C ATOM 427 CE LYS A 31 0.041 -6.405 4.208 1.00 0.00 C ATOM 428 NZ LYS A 31 0.981 -7.541 4.085 1.00 0.00 N ATOM 0 H LYS A 31 -1.520 -1.719 4.257 1.00 0.00 H new ATOM 0 HA LYS A 31 0.717 -2.860 5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.373 -2.156 2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.596 -3.206 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.938 -4.135 4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.135 -3.849 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.074 -5.698 2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.426 -5.144 3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.110 -5.974 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.983 -6.757 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.799 -8.226 4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.848 -8.004 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.958 -7.193 4.159 1.00 0.00 H new ATOM 437 N SER A 32 2.666 -1.248 5.133 1.00 0.00 N ATOM 438 CA SER A 32 3.677 -0.216 5.283 1.00 0.00 C ATOM 439 C SER A 32 4.829 -0.467 4.309 1.00 0.00 C ATOM 440 O SER A 32 5.934 0.038 4.505 1.00 0.00 O ATOM 441 CB SER A 32 4.199 -0.161 6.720 1.00 0.00 C ATOM 442 OG SER A 32 4.340 1.178 7.187 1.00 0.00 O ATOM 0 H SER A 32 3.030 -2.201 5.106 1.00 0.00 H new ATOM 0 HA SER A 32 3.220 0.747 5.054 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.516 -0.703 7.374 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.163 -0.667 6.775 1.00 0.00 H new ATOM 0 HG SER A 32 4.674 1.170 8.108 1.00 0.00 H new ATOM 447 N PHE A 33 4.532 -1.247 3.280 1.00 0.00 N ATOM 448 CA PHE A 33 5.530 -1.570 2.273 1.00 0.00 C ATOM 449 C PHE A 33 6.457 -2.686 2.761 1.00 0.00 C ATOM 450 O PHE A 33 6.822 -3.574 1.991 1.00 0.00 O ATOM 451 CB PHE A 33 6.355 -0.304 2.039 1.00 0.00 C ATOM 452 CG PHE A 33 6.720 -0.063 0.572 1.00 0.00 C ATOM 453 CD1 PHE A 33 5.759 -0.133 -0.388 1.00 0.00 C ATOM 454 CD2 PHE A 33 8.005 0.221 0.229 1.00 0.00 C ATOM 455 CE1 PHE A 33 6.098 0.091 -1.750 1.00 0.00 C ATOM 456 CE2 PHE A 33 8.344 0.445 -1.132 1.00 0.00 C ATOM 457 CZ PHE A 33 7.383 0.375 -2.092 1.00 0.00 C ATOM 0 H PHE A 33 3.615 -1.665 3.121 1.00 0.00 H new ATOM 0 HA PHE A 33 5.042 -1.911 1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.797 0.555 2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.272 -0.366 2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.739 -0.359 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.768 0.276 0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.335 0.036 -2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 33 9.364 0.671 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.641 0.545 -3.127 1.00 0.00 H new ATOM 466 N VAL A 34 6.811 -2.604 4.034 1.00 0.00 N ATOM 467 CA VAL A 34 7.688 -3.596 4.632 1.00 0.00 C ATOM 468 C VAL A 34 7.173 -3.950 6.030 1.00 0.00 C ATOM 469 O VAL A 34 6.945 -5.119 6.333 1.00 0.00 O ATOM 470 CB VAL A 34 9.130 -3.083 4.639 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.778 -3.288 6.010 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.954 -3.752 3.537 1.00 0.00 C ATOM 0 H VAL A 34 6.507 -1.866 4.669 1.00 0.00 H new ATOM 0 HA VAL A 34 7.685 -4.513 4.042 1.00 0.00 H new ATOM 0 HB VAL A 34 9.107 -2.012 4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.802 -2.915 5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.210 -2.745 6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.784 -4.350 6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.975 -3.370 3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.966 -4.830 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.509 -3.533 2.566 1.00 0.00 H new ATOM 482 N ASP A 35 7.006 -2.916 6.843 1.00 0.00 N ATOM 483 CA ASP A 35 6.523 -3.104 8.200 1.00 0.00 C ATOM 484 C ASP A 35 5.459 -4.203 8.211 1.00 0.00 C ATOM 485 O ASP A 35 5.323 -4.931 9.194 1.00 0.00 O ATOM 486 CB ASP A 35 5.884 -1.823 8.739 1.00 0.00 C ATOM 487 CG ASP A 35 5.899 -1.683 10.262 1.00 0.00 C ATOM 488 OD1 ASP A 35 5.241 -2.450 10.981 1.00 0.00 O ATOM 489 OD2 ASP A 35 6.637 -0.725 10.715 1.00 0.00 O ATOM 0 H ASP A 35 7.196 -1.947 6.588 1.00 0.00 H new ATOM 0 HA ASP A 35 7.373 -3.375 8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.401 -0.967 8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.851 -1.778 8.395 1.00 0.00 H new ATOM 494 N ASP A 36 4.732 -4.290 7.107 1.00 0.00 N ATOM 495 CA ASP A 36 3.685 -5.288 6.977 1.00 0.00 C ATOM 496 C ASP A 36 4.149 -6.387 6.019 1.00 0.00 C ATOM 497 O ASP A 36 4.368 -7.525 6.433 1.00 0.00 O ATOM 498 CB ASP A 36 2.405 -4.674 6.407 1.00 0.00 C ATOM 499 CG ASP A 36 1.141 -4.935 7.227 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.678 -6.079 7.341 1.00 0.00 O ATOM 501 OD2 ASP A 36 0.618 -3.888 7.771 1.00 0.00 O ATOM 0 H ASP A 36 4.848 -3.685 6.294 1.00 0.00 H new ATOM 0 HA ASP A 36 3.481 -5.692 7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.546 -3.597 6.317 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.252 -5.060 5.399 1.00 0.00 H new ATOM 506 N LEU A 37 4.286 -6.009 4.757 1.00 0.00 N ATOM 507 CA LEU A 37 4.721 -6.948 3.737 1.00 0.00 C ATOM 508 C LEU A 37 5.890 -7.775 4.276 1.00 0.00 C ATOM 509 O LEU A 37 5.858 -9.003 4.234 1.00 0.00 O ATOM 510 CB LEU A 37 5.039 -6.213 2.433 1.00 0.00 C ATOM 511 CG LEU A 37 3.835 -5.663 1.663 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.287 -4.776 0.502 1.00 0.00 C ATOM 513 CD2 LEU A 37 2.918 -6.796 1.197 1.00 0.00 C ATOM 0 H LEU A 37 4.103 -5.065 4.417 1.00 0.00 H new ATOM 0 HA LEU A 37 3.920 -7.646 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.710 -5.384 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.584 -6.894 1.779 1.00 0.00 H new ATOM 0 HG LEU A 37 3.253 -5.037 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.413 -4.398 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.867 -3.938 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.903 -5.359 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.071 -6.378 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.474 -7.468 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.555 -7.350 2.063 1.00 0.00 H new ATOM 524 N ASP A 38 6.895 -7.068 4.772 1.00 0.00 N ATOM 525 CA ASP A 38 8.072 -7.722 5.318 1.00 0.00 C ATOM 526 C ASP A 38 8.782 -8.499 4.208 1.00 0.00 C ATOM 527 O ASP A 38 9.640 -9.336 4.481 1.00 0.00 O ATOM 528 CB ASP A 38 7.690 -8.713 6.420 1.00 0.00 C ATOM 529 CG ASP A 38 8.635 -8.740 7.622 1.00 0.00 C ATOM 530 OD1 ASP A 38 8.438 -8.010 8.605 1.00 0.00 O ATOM 531 OD2 ASP A 38 9.623 -9.564 7.521 1.00 0.00 O ATOM 0 H ASP A 38 6.918 -6.049 4.807 1.00 0.00 H new ATOM 0 HA ASP A 38 8.722 -6.952 5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.686 -8.473 6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.646 -9.713 5.989 1.00 0.00 H new ATOM 536 N ILE A 39 8.395 -8.194 2.978 1.00 0.00 N ATOM 537 CA ILE A 39 8.983 -8.854 1.824 1.00 0.00 C ATOM 538 C ILE A 39 10.144 -8.009 1.295 1.00 0.00 C ATOM 539 O ILE A 39 11.019 -8.519 0.596 1.00 0.00 O ATOM 540 CB ILE A 39 7.912 -9.152 0.773 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.227 -10.446 0.021 1.00 0.00 C ATOM 542 CG2 ILE A 39 7.731 -7.967 -0.177 1.00 0.00 C ATOM 543 CD1 ILE A 39 9.665 -10.442 -0.501 1.00 0.00 C ATOM 0 H ILE A 39 7.682 -7.499 2.755 1.00 0.00 H new ATOM 0 HA ILE A 39 9.396 -9.822 2.109 1.00 0.00 H new ATOM 0 HB ILE A 39 6.962 -9.301 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.079 -11.300 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.534 -10.564 -0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.964 -8.205 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.427 -7.088 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.673 -7.762 -0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.862 -11.374 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.803 -9.601 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.356 -10.348 0.337 1.00 0.00 H new ATOM 554 N ASP A 40 10.116 -6.732 1.651 1.00 0.00 N ATOM 555 CA ASP A 40 11.155 -5.813 1.221 1.00 0.00 C ATOM 556 C ASP A 40 10.755 -5.188 -0.117 1.00 0.00 C ATOM 557 O ASP A 40 9.635 -5.382 -0.587 1.00 0.00 O ATOM 558 CB ASP A 40 12.487 -6.540 1.024 1.00 0.00 C ATOM 559 CG ASP A 40 13.732 -5.675 1.232 1.00 0.00 C ATOM 560 OD1 ASP A 40 13.754 -4.784 2.094 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.723 -5.949 0.454 1.00 0.00 O ATOM 0 H ASP A 40 9.390 -6.313 2.232 1.00 0.00 H new ATOM 0 HA ASP A 40 11.271 -5.051 1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.529 -7.383 1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.513 -6.952 0.015 1.00 0.00 H new ATOM 566 N SER A 41 11.693 -4.449 -0.693 1.00 0.00 N ATOM 567 CA SER A 41 11.452 -3.795 -1.968 1.00 0.00 C ATOM 568 C SER A 41 11.806 -4.741 -3.116 1.00 0.00 C ATOM 569 O SER A 41 11.720 -4.364 -4.285 1.00 0.00 O ATOM 570 CB SER A 41 12.258 -2.499 -2.081 1.00 0.00 C ATOM 571 OG SER A 41 13.656 -2.747 -2.190 1.00 0.00 O ATOM 0 H SER A 41 12.621 -4.289 -0.300 1.00 0.00 H new ATOM 0 HA SER A 41 10.394 -3.541 -2.029 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.921 -1.937 -2.952 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.067 -1.876 -1.207 1.00 0.00 H new ATOM 0 HG SER A 41 14.135 -1.895 -2.262 1.00 0.00 H new ATOM 576 N LEU A 42 12.193 -5.953 -2.745 1.00 0.00 N ATOM 577 CA LEU A 42 12.559 -6.956 -3.730 1.00 0.00 C ATOM 578 C LEU A 42 11.308 -7.395 -4.493 1.00 0.00 C ATOM 579 O LEU A 42 11.141 -7.059 -5.665 1.00 0.00 O ATOM 580 CB LEU A 42 13.312 -8.110 -3.066 1.00 0.00 C ATOM 581 CG LEU A 42 14.762 -8.309 -3.511 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.645 -8.725 -2.333 1.00 0.00 C ATOM 583 CD2 LEU A 42 14.847 -9.305 -4.671 1.00 0.00 C ATOM 0 H LEU A 42 12.261 -6.263 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 42 13.249 -6.537 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.302 -7.951 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.764 -9.033 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 42 15.142 -7.355 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.671 -8.860 -2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.618 -7.950 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.276 -9.662 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 42 15.888 -9.429 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.443 -10.267 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.270 -8.929 -5.516 1.00 0.00 H new ATOM 594 N SER A 43 10.461 -8.139 -3.798 1.00 0.00 N ATOM 595 CA SER A 43 9.230 -8.629 -4.394 1.00 0.00 C ATOM 596 C SER A 43 8.295 -7.457 -4.702 1.00 0.00 C ATOM 597 O SER A 43 7.646 -7.434 -5.746 1.00 0.00 O ATOM 598 CB SER A 43 8.535 -9.635 -3.476 1.00 0.00 C ATOM 599 OG SER A 43 7.812 -10.619 -4.212 1.00 0.00 O ATOM 0 H SER A 43 10.603 -8.415 -2.826 1.00 0.00 H new ATOM 0 HA SER A 43 9.480 -9.140 -5.324 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.278 -10.126 -2.848 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.853 -9.107 -2.810 1.00 0.00 H new ATOM 0 HG SER A 43 8.263 -11.485 -4.130 1.00 0.00 H new ATOM 604 N MET A 44 8.259 -6.513 -3.773 1.00 0.00 N ATOM 605 CA MET A 44 7.414 -5.341 -3.932 1.00 0.00 C ATOM 606 C MET A 44 7.681 -4.650 -5.271 1.00 0.00 C ATOM 607 O MET A 44 6.765 -4.111 -5.890 1.00 0.00 O ATOM 608 CB MET A 44 7.682 -4.360 -2.789 1.00 0.00 C ATOM 609 CG MET A 44 6.637 -4.510 -1.682 1.00 0.00 C ATOM 610 SD MET A 44 6.428 -2.958 -0.824 1.00 0.00 S ATOM 611 CE MET A 44 8.063 -2.763 -0.135 1.00 0.00 C ATOM 0 H MET A 44 8.800 -6.535 -2.909 1.00 0.00 H new ATOM 0 HA MET A 44 6.372 -5.662 -3.911 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.677 -4.535 -2.381 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.669 -3.339 -3.171 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.686 -4.830 -2.109 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.947 -5.284 -0.980 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.031 -2.036 0.677 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.413 -3.721 0.249 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.745 -2.412 -0.910 1.00 0.00 H new ATOM 619 N VAL A 45 8.942 -4.687 -5.679 1.00 0.00 N ATOM 620 CA VAL A 45 9.341 -4.071 -6.933 1.00 0.00 C ATOM 621 C VAL A 45 8.566 -4.717 -8.083 1.00 0.00 C ATOM 622 O VAL A 45 8.165 -4.037 -9.026 1.00 0.00 O ATOM 623 CB VAL A 45 10.858 -4.171 -7.105 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.235 -4.300 -8.582 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.562 -2.975 -6.461 1.00 0.00 C ATOM 0 H VAL A 45 9.700 -5.134 -5.163 1.00 0.00 H new ATOM 0 HA VAL A 45 9.096 -3.009 -6.932 1.00 0.00 H new ATOM 0 HB VAL A 45 11.195 -5.073 -6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.319 -4.369 -8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.776 -5.197 -8.998 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.879 -3.425 -9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.639 -3.070 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.217 -2.054 -6.930 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.332 -2.948 -5.396 1.00 0.00 H new ATOM 635 N GLU A 46 8.377 -6.024 -7.967 1.00 0.00 N ATOM 636 CA GLU A 46 7.657 -6.769 -8.985 1.00 0.00 C ATOM 637 C GLU A 46 6.172 -6.400 -8.962 1.00 0.00 C ATOM 638 O GLU A 46 5.612 -6.002 -9.982 1.00 0.00 O ATOM 639 CB GLU A 46 7.851 -8.275 -8.803 1.00 0.00 C ATOM 640 CG GLU A 46 8.560 -8.888 -10.011 1.00 0.00 C ATOM 641 CD GLU A 46 10.072 -8.962 -9.781 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.604 -8.238 -8.925 1.00 0.00 O ATOM 643 OE2 GLU A 46 10.696 -9.809 -10.527 1.00 0.00 O ATOM 0 H GLU A 46 8.710 -6.585 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 46 8.063 -6.500 -9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.433 -8.464 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.883 -8.755 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.168 -9.888 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.353 -8.292 -10.900 1.00 0.00 H new ATOM 649 N ILE A 47 5.577 -6.546 -7.787 1.00 0.00 N ATOM 650 CA ILE A 47 4.168 -6.234 -7.618 1.00 0.00 C ATOM 651 C ILE A 47 3.871 -4.876 -8.258 1.00 0.00 C ATOM 652 O ILE A 47 2.767 -4.645 -8.747 1.00 0.00 O ATOM 653 CB ILE A 47 3.774 -6.317 -6.142 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.529 -7.768 -5.722 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.569 -5.423 -5.844 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.290 -8.102 -4.436 1.00 0.00 C ATOM 0 H ILE A 47 6.045 -6.876 -6.943 1.00 0.00 H new ATOM 0 HA ILE A 47 3.550 -6.971 -8.131 1.00 0.00 H new ATOM 0 HB ILE A 47 4.606 -5.944 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.462 -7.931 -5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.844 -8.440 -6.520 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.310 -5.501 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.816 -4.388 -6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.721 -5.742 -6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.099 -9.139 -4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.359 -7.961 -4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.955 -7.445 -3.634 1.00 0.00 H new ATOM 667 N ALA A 48 4.876 -4.013 -8.233 1.00 0.00 N ATOM 668 CA ALA A 48 4.736 -2.684 -8.804 1.00 0.00 C ATOM 669 C ALA A 48 5.025 -2.747 -10.306 1.00 0.00 C ATOM 670 O ALA A 48 4.261 -2.217 -11.111 1.00 0.00 O ATOM 671 CB ALA A 48 5.665 -1.713 -8.071 1.00 0.00 C ATOM 0 H ALA A 48 5.791 -4.208 -7.826 1.00 0.00 H new ATOM 0 HA ALA A 48 3.717 -2.317 -8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.560 -0.716 -8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.400 -1.684 -7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.697 -2.047 -8.177 1.00 0.00 H new ATOM 677 N VAL A 49 6.129 -3.398 -10.637 1.00 0.00 N ATOM 678 CA VAL A 49 6.528 -3.537 -12.027 1.00 0.00 C ATOM 679 C VAL A 49 5.336 -4.030 -12.849 1.00 0.00 C ATOM 680 O VAL A 49 5.276 -3.808 -14.057 1.00 0.00 O ATOM 681 CB VAL A 49 7.748 -4.455 -12.132 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.326 -5.897 -12.426 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.729 -3.945 -13.191 1.00 0.00 C ATOM 0 H VAL A 49 6.761 -3.836 -9.966 1.00 0.00 H new ATOM 0 HA VAL A 49 6.828 -2.572 -12.436 1.00 0.00 H new ATOM 0 HB VAL A 49 8.258 -4.444 -11.169 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.212 -6.528 -12.496 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.684 -6.259 -11.623 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.781 -5.931 -13.369 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.587 -4.615 -13.245 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.233 -3.912 -14.161 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.067 -2.944 -12.922 1.00 0.00 H new ATOM 693 N GLN A 50 4.416 -4.690 -12.160 1.00 0.00 N ATOM 694 CA GLN A 50 3.229 -5.216 -12.811 1.00 0.00 C ATOM 695 C GLN A 50 2.105 -4.178 -12.787 1.00 0.00 C ATOM 696 O GLN A 50 1.626 -3.751 -13.836 1.00 0.00 O ATOM 697 CB GLN A 50 2.780 -6.525 -12.158 1.00 0.00 C ATOM 698 CG GLN A 50 3.897 -7.570 -12.200 1.00 0.00 C ATOM 699 CD GLN A 50 3.372 -8.950 -11.797 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.658 -9.291 -10.544 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 2.751 -9.657 -12.573 1.00 0.00 N flip ATOM 0 H GLN A 50 4.469 -4.872 -11.158 1.00 0.00 H new ATOM 0 HA GLN A 50 3.475 -5.432 -13.851 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.490 -6.339 -11.124 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.899 -6.909 -12.672 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.319 -7.616 -13.204 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.703 -7.273 -11.529 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.566 -9.333 -13.522 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.416 -10.573 -12.273 1.00 0.00 H new ATOM 708 N THR A 51 1.718 -3.802 -11.577 1.00 0.00 N ATOM 709 CA THR A 51 0.660 -2.821 -11.401 1.00 0.00 C ATOM 710 C THR A 51 0.949 -1.569 -12.233 1.00 0.00 C ATOM 711 O THR A 51 0.038 -0.985 -12.817 1.00 0.00 O ATOM 712 CB THR A 51 0.522 -2.537 -9.905 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.433 -3.495 -9.455 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.143 -1.188 -9.623 1.00 0.00 C ATOM 0 H THR A 51 2.118 -4.159 -10.709 1.00 0.00 H new ATOM 0 HA THR A 51 -0.295 -3.201 -11.764 1.00 0.00 H new ATOM 0 HB THR A 51 1.508 -2.560 -9.440 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.084 -3.959 -8.666 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.216 -1.037 -8.546 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.454 -0.389 -10.062 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.142 -1.176 -10.060 1.00 0.00 H new ATOM 722 N GLU A 52 2.220 -1.197 -12.260 1.00 0.00 N ATOM 723 CA GLU A 52 2.640 -0.026 -13.010 1.00 0.00 C ATOM 724 C GLU A 52 2.637 -0.327 -14.510 1.00 0.00 C ATOM 725 O GLU A 52 2.924 0.549 -15.324 1.00 0.00 O ATOM 726 CB GLU A 52 4.018 0.454 -12.550 1.00 0.00 C ATOM 727 CG GLU A 52 3.908 1.300 -11.278 1.00 0.00 C ATOM 728 CD GLU A 52 5.139 1.114 -10.389 1.00 0.00 C ATOM 729 OE1 GLU A 52 5.034 0.531 -9.299 1.00 0.00 O ATOM 730 OE2 GLU A 52 6.235 1.597 -10.866 1.00 0.00 O ATOM 0 H GLU A 52 2.972 -1.686 -11.775 1.00 0.00 H new ATOM 0 HA GLU A 52 1.929 0.778 -12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.663 -0.405 -12.365 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.486 1.040 -13.341 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.803 2.352 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.011 1.019 -10.726 1.00 0.00 H new ATOM 736 N ASP A 53 2.311 -1.571 -14.831 1.00 0.00 N ATOM 737 CA ASP A 53 2.267 -1.998 -16.218 1.00 0.00 C ATOM 738 C ASP A 53 0.832 -2.387 -16.582 1.00 0.00 C ATOM 739 O ASP A 53 0.228 -1.787 -17.470 1.00 0.00 O ATOM 740 CB ASP A 53 3.160 -3.219 -16.447 1.00 0.00 C ATOM 741 CG ASP A 53 4.141 -3.093 -17.614 1.00 0.00 C ATOM 742 OD1 ASP A 53 3.739 -2.873 -18.766 1.00 0.00 O ATOM 743 OD2 ASP A 53 5.384 -3.232 -17.299 1.00 0.00 O ATOM 0 H ASP A 53 2.075 -2.296 -14.154 1.00 0.00 H new ATOM 0 HA ASP A 53 2.619 -1.172 -16.836 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.726 -3.413 -15.536 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.525 -4.088 -16.618 1.00 0.00 H new ATOM 748 N LYS A 54 0.328 -3.391 -15.879 1.00 0.00 N ATOM 749 CA LYS A 54 -1.024 -3.867 -16.117 1.00 0.00 C ATOM 750 C LYS A 54 -1.945 -2.672 -16.362 1.00 0.00 C ATOM 751 O LYS A 54 -2.803 -2.714 -17.243 1.00 0.00 O ATOM 752 CB LYS A 54 -1.481 -4.773 -14.972 1.00 0.00 C ATOM 753 CG LYS A 54 -1.182 -6.241 -15.280 1.00 0.00 C ATOM 754 CD LYS A 54 -1.771 -7.158 -14.206 1.00 0.00 C ATOM 755 CE LYS A 54 -2.560 -8.307 -14.837 1.00 0.00 C ATOM 756 NZ LYS A 54 -3.188 -9.141 -13.789 1.00 0.00 N ATOM 0 H LYS A 54 0.832 -3.888 -15.144 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.059 -4.484 -17.015 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.978 -4.482 -14.050 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.550 -4.643 -14.806 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.595 -6.503 -16.254 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.104 -6.391 -15.340 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.969 -7.560 -13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.423 -6.582 -13.549 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.327 -7.908 -15.501 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.897 -8.919 -15.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.720 -9.916 -14.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.450 -9.537 -13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.836 -8.557 -13.223 1.00 0.00 H new ATOM 765 N TYR A 55 -1.737 -1.632 -15.568 1.00 0.00 N ATOM 766 CA TYR A 55 -2.539 -0.426 -15.688 1.00 0.00 C ATOM 767 C TYR A 55 -1.733 0.707 -16.326 1.00 0.00 C ATOM 768 O TYR A 55 -2.207 1.369 -17.248 1.00 0.00 O ATOM 769 CB TYR A 55 -2.916 -0.026 -14.260 1.00 0.00 C ATOM 770 CG TYR A 55 -4.033 1.015 -14.179 1.00 0.00 C ATOM 771 CD1 TYR A 55 -3.729 2.360 -14.252 1.00 0.00 C ATOM 772 CD2 TYR A 55 -5.344 0.611 -14.034 1.00 0.00 C ATOM 773 CE1 TYR A 55 -4.781 3.341 -14.177 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.396 1.592 -13.959 1.00 0.00 C ATOM 775 CZ TYR A 55 -6.062 2.908 -14.033 1.00 0.00 C ATOM 776 OH TYR A 55 -7.055 3.834 -13.962 1.00 0.00 O ATOM 0 H TYR A 55 -1.025 -1.599 -14.839 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.412 -0.607 -16.316 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.224 -0.917 -13.714 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.031 0.366 -13.758 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.703 2.676 -14.365 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.582 -0.441 -13.977 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.558 4.396 -14.234 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.427 1.289 -13.847 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.800 4.628 -14.477 1.00 0.00 H new ATOM 785 N GLY A 56 -0.526 0.896 -15.809 1.00 0.00 N ATOM 786 CA GLY A 56 0.350 1.938 -16.316 1.00 0.00 C ATOM 787 C GLY A 56 0.436 3.108 -15.334 1.00 0.00 C ATOM 788 O GLY A 56 0.688 4.243 -15.736 1.00 0.00 O ATOM 0 H GLY A 56 -0.135 0.345 -15.045 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.346 1.529 -16.488 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.020 2.293 -17.278 1.00 0.00 H new ATOM 792 N VAL A 57 0.223 2.792 -14.066 1.00 0.00 N ATOM 793 CA VAL A 57 0.273 3.803 -13.024 1.00 0.00 C ATOM 794 C VAL A 57 1.684 4.389 -12.955 1.00 0.00 C ATOM 795 O VAL A 57 2.660 3.703 -13.257 1.00 0.00 O ATOM 796 CB VAL A 57 -0.193 3.208 -11.694 1.00 0.00 C ATOM 797 CG1 VAL A 57 -1.590 2.597 -11.825 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.810 2.174 -11.175 1.00 0.00 C ATOM 0 H VAL A 57 0.015 1.849 -13.736 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.408 4.622 -13.254 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.248 4.018 -10.966 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.897 2.181 -10.865 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.297 3.368 -12.129 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.572 1.805 -12.574 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.455 1.766 -10.228 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.911 1.368 -11.902 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.779 2.650 -11.024 1.00 0.00 H new ATOM 808 N LYS A 58 1.748 5.651 -12.557 1.00 0.00 N ATOM 809 CA LYS A 58 3.024 6.336 -12.445 1.00 0.00 C ATOM 810 C LYS A 58 3.435 6.402 -10.973 1.00 0.00 C ATOM 811 O LYS A 58 2.782 7.071 -10.173 1.00 0.00 O ATOM 812 CB LYS A 58 2.960 7.703 -13.128 1.00 0.00 C ATOM 813 CG LYS A 58 1.863 8.573 -12.511 1.00 0.00 C ATOM 814 CD LYS A 58 0.743 8.841 -13.519 1.00 0.00 C ATOM 815 CE LYS A 58 -0.632 8.640 -12.878 1.00 0.00 C ATOM 816 NZ LYS A 58 -1.612 9.594 -13.445 1.00 0.00 N ATOM 0 H LYS A 58 0.937 6.217 -12.308 1.00 0.00 H new ATOM 0 HA LYS A 58 3.802 5.780 -12.969 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.923 8.205 -13.035 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.770 7.573 -14.193 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.454 8.078 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.289 9.519 -12.176 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.826 9.860 -13.898 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.851 8.173 -14.374 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.972 7.618 -13.045 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.561 8.780 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.540 9.444 -13.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.294 10.567 -13.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.692 9.441 -14.471 1.00 0.00 H new ATOM 825 N ILE A 59 4.515 5.702 -10.660 1.00 0.00 N ATOM 826 CA ILE A 59 5.021 5.674 -9.298 1.00 0.00 C ATOM 827 C ILE A 59 6.535 5.452 -9.325 1.00 0.00 C ATOM 828 O ILE A 59 7.012 4.365 -9.004 1.00 0.00 O ATOM 829 CB ILE A 59 4.262 4.638 -8.466 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.758 4.919 -8.479 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.818 4.562 -7.044 1.00 0.00 C ATOM 832 CD1 ILE A 59 2.017 3.985 -7.521 1.00 0.00 C ATOM 0 H ILE A 59 5.054 5.149 -11.326 1.00 0.00 H new ATOM 0 HA ILE A 59 4.848 6.632 -8.807 1.00 0.00 H new ATOM 0 HB ILE A 59 4.411 3.659 -8.922 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.576 5.956 -8.195 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.370 4.792 -9.489 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.261 3.818 -6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.870 4.278 -7.079 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.721 5.535 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.950 4.206 -7.550 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.181 2.950 -7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.391 4.132 -6.508 1.00 0.00 H new ATOM 843 N PRO A 60 7.266 6.527 -9.721 1.00 0.00 N ATOM 844 CA PRO A 60 8.715 6.461 -9.794 1.00 0.00 C ATOM 845 C PRO A 60 9.338 6.509 -8.396 1.00 0.00 C ATOM 846 O PRO A 60 8.645 6.763 -7.413 1.00 0.00 O ATOM 847 CB PRO A 60 9.120 7.639 -10.664 1.00 0.00 C ATOM 848 CG PRO A 60 7.931 8.586 -10.663 1.00 0.00 C ATOM 849 CD PRO A 60 6.735 7.831 -10.108 1.00 0.00 C ATOM 0 HA PRO A 60 9.071 5.525 -10.223 1.00 0.00 H new ATOM 0 HB2 PRO A 60 10.010 8.129 -10.269 1.00 0.00 H new ATOM 0 HB3 PRO A 60 9.359 7.313 -11.676 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.144 9.465 -10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.724 8.940 -11.673 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.300 8.351 -9.254 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.948 7.732 -10.855 1.00 0.00 H new ATOM 854 N ASP A 61 10.638 6.259 -8.354 1.00 0.00 N ATOM 855 CA ASP A 61 11.362 6.270 -7.093 1.00 0.00 C ATOM 856 C ASP A 61 11.195 7.638 -6.428 1.00 0.00 C ATOM 857 O ASP A 61 11.017 7.723 -5.214 1.00 0.00 O ATOM 858 CB ASP A 61 12.857 6.030 -7.314 1.00 0.00 C ATOM 859 CG ASP A 61 13.349 4.631 -6.939 1.00 0.00 C ATOM 860 OD1 ASP A 61 13.565 4.327 -5.757 1.00 0.00 O ATOM 861 OD2 ASP A 61 13.514 3.826 -7.934 1.00 0.00 O ATOM 0 H ASP A 61 11.209 6.048 -9.172 1.00 0.00 H new ATOM 0 HA ASP A 61 10.959 5.476 -6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.087 6.211 -8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.417 6.763 -6.734 1.00 0.00 H new ATOM 866 N GLU A 62 11.260 8.673 -7.251 1.00 0.00 N ATOM 867 CA GLU A 62 11.118 10.032 -6.757 1.00 0.00 C ATOM 868 C GLU A 62 9.872 10.151 -5.878 1.00 0.00 C ATOM 869 O GLU A 62 9.773 11.058 -5.052 1.00 0.00 O ATOM 870 CB GLU A 62 11.072 11.034 -7.912 1.00 0.00 C ATOM 871 CG GLU A 62 12.353 10.968 -8.746 1.00 0.00 C ATOM 872 CD GLU A 62 13.149 12.270 -8.635 1.00 0.00 C ATOM 873 OE1 GLU A 62 12.568 13.329 -8.353 1.00 0.00 O ATOM 874 OE2 GLU A 62 14.415 12.156 -8.852 1.00 0.00 O ATOM 0 H GLU A 62 11.409 8.598 -8.257 1.00 0.00 H new ATOM 0 HA GLU A 62 11.991 10.269 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.210 10.825 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.941 12.042 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.967 10.133 -8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.102 10.779 -9.790 1.00 0.00 H new ATOM 880 N ASP A 63 8.950 9.222 -6.086 1.00 0.00 N ATOM 881 CA ASP A 63 7.714 9.211 -5.323 1.00 0.00 C ATOM 882 C ASP A 63 7.682 7.970 -4.429 1.00 0.00 C ATOM 883 O ASP A 63 7.151 8.013 -3.320 1.00 0.00 O ATOM 884 CB ASP A 63 6.496 9.157 -6.248 1.00 0.00 C ATOM 885 CG ASP A 63 5.603 10.399 -6.216 1.00 0.00 C ATOM 886 OD1 ASP A 63 4.473 10.360 -5.705 1.00 0.00 O ATOM 887 OD2 ASP A 63 6.118 11.454 -6.749 1.00 0.00 O ATOM 0 H ASP A 63 9.035 8.472 -6.772 1.00 0.00 H new ATOM 0 HA ASP A 63 7.677 10.124 -4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.842 9.003 -7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.894 8.288 -5.981 1.00 0.00 H new ATOM 892 N LEU A 64 8.259 6.894 -4.943 1.00 0.00 N ATOM 893 CA LEU A 64 8.303 5.644 -4.204 1.00 0.00 C ATOM 894 C LEU A 64 9.029 5.867 -2.876 1.00 0.00 C ATOM 895 O LEU A 64 8.928 5.048 -1.964 1.00 0.00 O ATOM 896 CB LEU A 64 8.920 4.536 -5.062 1.00 0.00 C ATOM 897 CG LEU A 64 8.461 3.111 -4.748 1.00 0.00 C ATOM 898 CD1 LEU A 64 9.185 2.561 -3.517 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.940 3.046 -4.594 1.00 0.00 C ATOM 0 H LEU A 64 8.700 6.862 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 64 7.294 5.308 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.696 4.746 -6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.004 4.580 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 64 8.727 2.473 -5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.841 1.547 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.259 2.549 -3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.972 3.195 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.640 2.022 -4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.628 3.701 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.466 3.369 -5.521 1.00 0.00 H new ATOM 910 N ALA A 65 9.745 6.980 -2.809 1.00 0.00 N ATOM 911 CA ALA A 65 10.488 7.321 -1.607 1.00 0.00 C ATOM 912 C ALA A 65 9.510 7.775 -0.521 1.00 0.00 C ATOM 913 O ALA A 65 9.797 7.651 0.669 1.00 0.00 O ATOM 914 CB ALA A 65 11.530 8.391 -1.937 1.00 0.00 C ATOM 0 H ALA A 65 9.827 7.657 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 65 11.024 6.451 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.087 8.647 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.217 8.009 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.029 9.281 -2.319 1.00 0.00 H new ATOM 920 N GLY A 66 8.375 8.290 -0.969 1.00 0.00 N ATOM 921 CA GLY A 66 7.353 8.764 -0.050 1.00 0.00 C ATOM 922 C GLY A 66 6.305 7.682 0.208 1.00 0.00 C ATOM 923 O GLY A 66 6.093 7.275 1.349 1.00 0.00 O ATOM 0 H GLY A 66 8.140 8.390 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.815 9.060 0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.872 9.651 -0.462 1.00 0.00 H new ATOM 927 N LEU A 67 5.674 7.244 -0.872 1.00 0.00 N ATOM 928 CA LEU A 67 4.652 6.216 -0.778 1.00 0.00 C ATOM 929 C LEU A 67 5.147 5.092 0.136 1.00 0.00 C ATOM 930 O LEU A 67 6.153 4.449 -0.155 1.00 0.00 O ATOM 931 CB LEU A 67 4.241 5.737 -2.171 1.00 0.00 C ATOM 932 CG LEU A 67 3.961 6.834 -3.201 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.241 6.266 -4.426 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.190 7.995 -2.570 1.00 0.00 C ATOM 0 H LEU A 67 5.851 7.583 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 67 3.747 6.622 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.030 5.094 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.347 5.121 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 67 4.916 7.231 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.054 7.066 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.863 5.501 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.293 5.825 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.004 8.761 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.239 7.631 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.776 8.422 -1.756 1.00 0.00 H new ATOM 945 N ARG A 68 4.416 4.893 1.223 1.00 0.00 N ATOM 946 CA ARG A 68 4.768 3.859 2.182 1.00 0.00 C ATOM 947 C ARG A 68 3.675 2.790 2.235 1.00 0.00 C ATOM 948 O ARG A 68 3.946 1.609 2.023 1.00 0.00 O ATOM 949 CB ARG A 68 4.965 4.449 3.580 1.00 0.00 C ATOM 950 CG ARG A 68 6.421 4.319 4.030 1.00 0.00 C ATOM 951 CD ARG A 68 6.507 3.860 5.487 1.00 0.00 C ATOM 952 NE ARG A 68 7.515 2.785 5.621 1.00 0.00 N ATOM 953 CZ ARG A 68 7.912 2.263 6.802 1.00 0.00 C ATOM 954 NH1 ARG A 68 7.388 2.713 7.961 1.00 0.00 N ATOM 955 NH2 ARG A 68 8.820 1.305 6.804 1.00 0.00 N ATOM 0 H ARG A 68 3.582 5.430 1.461 1.00 0.00 H new ATOM 0 HA ARG A 68 5.705 3.408 1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.673 5.499 3.580 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.314 3.938 4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.941 3.607 3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.927 5.278 3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.774 4.701 6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.534 3.501 5.822 1.00 0.00 H new ATOM 0 HE ARG A 68 7.936 2.415 4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.686 3.453 7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.694 2.313 8.848 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.210 0.970 5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.131 0.899 7.687 1.00 0.00 H new ATOM 964 N THR A 69 2.463 3.242 2.521 1.00 0.00 N ATOM 965 CA THR A 69 1.328 2.339 2.606 1.00 0.00 C ATOM 966 C THR A 69 0.544 2.345 1.293 1.00 0.00 C ATOM 967 O THR A 69 0.838 3.130 0.393 1.00 0.00 O ATOM 968 CB THR A 69 0.487 2.749 3.817 1.00 0.00 C ATOM 969 OG1 THR A 69 0.097 4.089 3.532 1.00 0.00 O ATOM 970 CG2 THR A 69 1.321 2.867 5.095 1.00 0.00 C ATOM 0 H THR A 69 2.242 4.222 2.697 1.00 0.00 H new ATOM 0 HA THR A 69 1.652 1.308 2.751 1.00 0.00 H new ATOM 0 HB THR A 69 -0.310 2.021 3.969 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.454 4.433 4.266 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.677 3.160 5.924 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.784 1.906 5.318 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.097 3.619 4.955 1.00 0.00 H new ATOM 978 N VAL A 70 -0.440 1.460 1.224 1.00 0.00 N ATOM 979 CA VAL A 70 -1.269 1.353 0.036 1.00 0.00 C ATOM 980 C VAL A 70 -2.054 2.652 -0.152 1.00 0.00 C ATOM 981 O VAL A 70 -2.259 3.100 -1.279 1.00 0.00 O ATOM 982 CB VAL A 70 -2.169 0.119 0.135 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.668 -0.308 -1.247 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.446 -1.032 0.836 1.00 0.00 C ATOM 0 H VAL A 70 -0.682 0.810 1.972 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.650 1.217 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.037 0.385 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.305 -1.187 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.239 0.505 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.816 -0.547 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.108 -1.896 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.551 -1.297 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.163 -0.725 1.843 1.00 0.00 H new ATOM 994 N GLY A 71 -2.472 3.221 0.969 1.00 0.00 N ATOM 995 CA GLY A 71 -3.230 4.460 0.943 1.00 0.00 C ATOM 996 C GLY A 71 -2.376 5.615 0.415 1.00 0.00 C ATOM 997 O GLY A 71 -2.906 6.627 -0.039 1.00 0.00 O ATOM 0 H GLY A 71 -2.300 2.846 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.112 4.338 0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.585 4.695 1.947 1.00 0.00 H new ATOM 1001 N ASP A 72 -1.067 5.423 0.493 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.134 6.436 0.029 1.00 0.00 C ATOM 1003 C ASP A 72 0.351 6.071 -1.376 1.00 0.00 C ATOM 1004 O ASP A 72 0.662 6.952 -2.177 1.00 0.00 O ATOM 1005 CB ASP A 72 1.090 6.519 0.944 1.00 0.00 C ATOM 1006 CG ASP A 72 1.678 7.922 1.112 1.00 0.00 C ATOM 1007 OD1 ASP A 72 1.273 8.871 0.423 1.00 0.00 O ATOM 1008 OD2 ASP A 72 2.604 8.021 2.004 1.00 0.00 O ATOM 0 H ASP A 72 -0.631 4.582 0.870 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.651 7.396 0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.817 6.136 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.865 5.861 0.550 1.00 0.00 H new ATOM 1013 N VAL A 73 0.401 4.772 -1.631 1.00 0.00 N ATOM 1014 CA VAL A 73 0.843 4.280 -2.925 1.00 0.00 C ATOM 1015 C VAL A 73 -0.340 4.279 -3.896 1.00 0.00 C ATOM 1016 O VAL A 73 -0.156 4.130 -5.103 1.00 0.00 O ATOM 1017 CB VAL A 73 1.489 2.902 -2.769 1.00 0.00 C ATOM 1018 CG1 VAL A 73 2.091 2.425 -4.092 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.543 2.914 -1.659 1.00 0.00 C ATOM 0 H VAL A 73 0.143 4.045 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 73 1.607 4.936 -3.342 1.00 0.00 H new ATOM 0 HB VAL A 73 0.709 2.196 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.544 1.443 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.307 2.359 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.852 3.132 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.987 1.923 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.320 3.639 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.074 3.189 -0.714 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.527 4.448 -3.333 1.00 0.00 N ATOM 1030 CA VAL A 74 -2.739 4.468 -4.134 1.00 0.00 C ATOM 1031 C VAL A 74 -3.149 5.920 -4.394 1.00 0.00 C ATOM 1032 O VAL A 74 -3.458 6.288 -5.526 1.00 0.00 O ATOM 1033 CB VAL A 74 -3.834 3.651 -3.447 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.194 3.895 -4.104 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.487 2.161 -3.443 1.00 0.00 C ATOM 0 H VAL A 74 -1.675 4.572 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.564 4.001 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.898 3.982 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.955 3.302 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.449 4.952 -4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.148 3.605 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.282 1.603 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.381 1.809 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.550 2.007 -2.908 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.139 6.704 -3.326 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.507 8.106 -3.424 1.00 0.00 C ATOM 1047 C ALA A 75 -2.834 8.720 -4.653 1.00 0.00 C ATOM 1048 O ALA A 75 -3.508 9.262 -5.529 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.123 8.826 -2.130 1.00 0.00 C ATOM 0 H ALA A 75 -2.882 6.395 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.585 8.212 -3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.399 9.878 -2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.648 8.371 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.048 8.743 -1.973 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.514 8.616 -4.681 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.742 9.153 -5.789 1.00 0.00 C ATOM 1057 C TYR A 76 -1.324 8.704 -7.131 1.00 0.00 C ATOM 1058 O TYR A 76 -1.074 9.329 -8.160 1.00 0.00 O ATOM 1059 CB TYR A 76 0.667 8.580 -5.638 1.00 0.00 C ATOM 1060 CG TYR A 76 1.711 9.251 -6.535 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.629 10.604 -6.795 1.00 0.00 C ATOM 1062 CD2 TYR A 76 2.732 8.503 -7.084 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.611 11.236 -7.637 1.00 0.00 C ATOM 1064 CE2 TYR A 76 3.714 9.135 -7.926 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.605 10.470 -8.163 1.00 0.00 C ATOM 1066 OH TYR A 76 4.533 11.066 -8.958 1.00 0.00 O ATOM 0 H TYR A 76 -0.958 8.167 -3.953 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.753 10.243 -5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.979 8.679 -4.598 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.641 7.514 -5.863 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.828 11.189 -6.367 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.795 7.444 -6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.560 12.294 -7.846 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.520 8.562 -8.360 1.00 0.00 H new ATOM 0 HH TYR A 76 5.285 11.374 -8.409 1.00 0.00 H new ATOM 1075 N ILE A 77 -2.088 7.622 -7.076 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.706 7.081 -8.274 1.00 0.00 C ATOM 1077 C ILE A 77 -4.000 7.845 -8.565 1.00 0.00 C ATOM 1078 O ILE A 77 -4.091 8.561 -9.560 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.901 5.570 -8.141 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.722 4.927 -7.407 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -3.145 4.925 -9.507 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.829 3.400 -7.429 1.00 0.00 C ATOM 0 H ILE A 77 -2.293 7.106 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.053 7.220 -9.135 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.792 5.393 -7.538 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.786 5.236 -7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.696 5.278 -6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.280 3.851 -9.383 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.040 5.354 -9.957 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.288 5.110 -10.155 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.979 2.968 -6.901 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.754 3.093 -6.941 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.830 3.050 -8.461 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.968 7.666 -7.677 1.00 0.00 N ATOM 1094 CA GLN A 78 -6.251 8.329 -7.827 1.00 0.00 C ATOM 1095 C GLN A 78 -6.086 9.843 -7.682 1.00 0.00 C ATOM 1096 O GLN A 78 -6.531 10.605 -8.540 1.00 0.00 O ATOM 1097 CB GLN A 78 -7.268 7.790 -6.818 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.432 6.275 -6.962 1.00 0.00 C ATOM 1099 CD GLN A 78 -8.026 5.665 -5.691 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -8.465 6.356 -4.786 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -8.016 4.335 -5.673 1.00 0.00 N ATOM 0 H GLN A 78 -4.889 7.072 -6.852 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.632 8.118 -8.826 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.943 8.030 -5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -8.230 8.280 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.078 6.055 -7.812 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.464 5.819 -7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.633 3.817 -6.464 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.391 3.833 -4.868 1.00 0.00 H new ATOM 1108 N LYS A 79 -5.446 10.236 -6.590 1.00 0.00 N ATOM 1109 CA LYS A 79 -5.217 11.645 -6.322 1.00 0.00 C ATOM 1110 C LYS A 79 -4.857 12.356 -7.628 1.00 0.00 C ATOM 1111 O LYS A 79 -5.492 13.343 -7.997 1.00 0.00 O ATOM 1112 CB LYS A 79 -4.171 11.817 -5.220 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.612 11.121 -3.930 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.784 11.860 -3.282 1.00 0.00 C ATOM 1115 CE LYS A 79 -6.692 10.888 -2.524 1.00 0.00 C ATOM 1116 NZ LYS A 79 -7.734 10.344 -3.423 1.00 0.00 N ATOM 0 H LYS A 79 -5.079 9.602 -5.880 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.125 12.114 -5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.218 11.406 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.011 12.878 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.901 10.093 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.776 11.076 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.406 12.620 -2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.360 12.379 -4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.098 10.073 -2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.160 11.399 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.626 10.240 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.877 10.994 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.433 9.415 -3.781 1.00 0.00 H new ATOM 1125 N LEU A 80 -3.841 11.826 -8.293 1.00 0.00 N ATOM 1126 CA LEU A 80 -3.389 12.399 -9.550 1.00 0.00 C ATOM 1127 C LEU A 80 -4.537 12.369 -10.560 1.00 0.00 C ATOM 1128 O LEU A 80 -4.741 13.328 -11.303 1.00 0.00 O ATOM 1129 CB LEU A 80 -2.123 11.689 -10.037 1.00 0.00 C ATOM 1130 CG LEU A 80 -0.907 12.584 -10.283 1.00 0.00 C ATOM 1131 CD1 LEU A 80 -1.190 13.604 -11.387 1.00 0.00 C ATOM 1132 CD2 LEU A 80 -0.448 13.254 -8.986 1.00 0.00 C ATOM 0 H LEU A 80 -3.318 11.006 -7.985 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.110 13.444 -9.415 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.849 10.931 -9.303 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.357 11.165 -10.964 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.086 11.956 -10.629 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.309 14.227 -11.541 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.431 13.081 -12.312 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.032 14.232 -11.095 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.418 13.885 -9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.257 13.866 -8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.177 12.490 -8.258 1.00 0.00 H new ATOM 1143 N GLU A 81 -5.259 11.258 -10.555 1.00 0.00 N ATOM 1144 CA GLU A 81 -6.382 11.091 -11.462 1.00 0.00 C ATOM 1145 C GLU A 81 -7.373 12.246 -11.298 1.00 0.00 C ATOM 1146 O GLU A 81 -7.754 12.885 -12.278 1.00 0.00 O ATOM 1147 CB GLU A 81 -7.071 9.744 -11.240 1.00 0.00 C ATOM 1148 CG GLU A 81 -7.180 8.961 -12.550 1.00 0.00 C ATOM 1149 CD GLU A 81 -8.138 9.651 -13.523 1.00 0.00 C ATOM 1150 OE1 GLU A 81 -7.998 10.857 -13.779 1.00 0.00 O ATOM 1151 OE2 GLU A 81 -9.053 8.890 -14.021 1.00 0.00 O ATOM 0 H GLU A 81 -5.088 10.465 -9.937 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.003 11.104 -12.484 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.510 9.161 -10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.066 9.905 -10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.195 8.871 -13.007 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.530 7.949 -12.345 1.00 0.00 H new ATOM 1157 N GLU A 82 -7.761 12.478 -10.053 1.00 0.00 N ATOM 1158 CA GLU A 82 -8.700 13.545 -9.748 1.00 0.00 C ATOM 1159 C GLU A 82 -8.031 14.606 -8.872 1.00 0.00 C ATOM 1160 O GLU A 82 -7.275 15.439 -9.368 1.00 0.00 O ATOM 1161 CB GLU A 82 -9.958 12.993 -9.077 1.00 0.00 C ATOM 1162 CG GLU A 82 -9.625 11.794 -8.187 1.00 0.00 C ATOM 1163 CD GLU A 82 -10.748 11.526 -7.184 1.00 0.00 C ATOM 1164 OE1 GLU A 82 -11.443 12.464 -6.766 1.00 0.00 O ATOM 1165 OE2 GLU A 82 -10.888 10.291 -6.839 1.00 0.00 O ATOM 0 H GLU A 82 -7.443 11.946 -9.243 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.004 14.014 -10.684 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.428 13.774 -8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.680 12.696 -9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.467 10.911 -8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.693 11.981 -7.653 1.00 0.00 H new ATOM 1171 N GLU A 83 -8.335 14.540 -7.584 1.00 0.00 N ATOM 1172 CA GLU A 83 -7.773 15.485 -6.633 1.00 0.00 C ATOM 1173 C GLU A 83 -7.847 14.918 -5.214 1.00 0.00 C ATOM 1174 O GLU A 83 -6.854 14.420 -4.689 1.00 0.00 O ATOM 1175 CB GLU A 83 -8.482 16.838 -6.721 1.00 0.00 C ATOM 1176 CG GLU A 83 -8.291 17.469 -8.101 1.00 0.00 C ATOM 1177 CD GLU A 83 -8.715 18.940 -8.096 1.00 0.00 C ATOM 1178 OE1 GLU A 83 -8.132 19.750 -7.360 1.00 0.00 O ATOM 1179 OE2 GLU A 83 -9.686 19.230 -8.894 1.00 0.00 O ATOM 0 H GLU A 83 -8.963 13.847 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.725 15.644 -6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.546 16.709 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.092 17.507 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.246 17.389 -8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.876 16.921 -8.839 1.00 0.00 H new ATOM 1185 N ASN A 84 -9.035 15.013 -4.635 1.00 0.00 N ATOM 1186 CA ASN A 84 -9.251 14.516 -3.287 1.00 0.00 C ATOM 1187 C ASN A 84 -8.392 15.318 -2.308 1.00 0.00 C ATOM 1188 O ASN A 84 -7.329 14.861 -1.890 1.00 0.00 O ATOM 1189 CB ASN A 84 -8.849 13.044 -3.172 1.00 0.00 C ATOM 1190 CG ASN A 84 -9.804 12.286 -2.248 1.00 0.00 C ATOM 1191 OD1 ASN A 84 -9.350 12.135 -1.006 1.00 0.00 O flip ATOM 1192 ND2 ASN A 84 -10.881 11.864 -2.636 1.00 0.00 N flip ATOM 0 H ASN A 84 -9.857 15.426 -5.074 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.311 14.620 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.852 12.584 -4.160 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.831 12.970 -2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.169 12.014 -3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.493 11.361 -1.994 1.00 0.00 H new ATOM 1198 N PRO A 85 -8.898 16.531 -1.960 1.00 0.00 N ATOM 1199 CA PRO A 85 -8.189 17.402 -1.038 1.00 0.00 C ATOM 1200 C PRO A 85 -8.319 16.897 0.401 1.00 0.00 C ATOM 1201 O PRO A 85 -8.753 17.636 1.284 1.00 0.00 O ATOM 1202 CB PRO A 85 -8.805 18.777 -1.243 1.00 0.00 C ATOM 1203 CG PRO A 85 -10.140 18.538 -1.928 1.00 0.00 C ATOM 1204 CD PRO A 85 -10.155 17.105 -2.435 1.00 0.00 C ATOM 0 HA PRO A 85 -7.116 17.430 -1.226 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -8.941 19.290 -0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.159 19.407 -1.855 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -10.962 18.705 -1.231 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.276 19.236 -2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.013 16.556 -2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.220 17.070 -3.522 1.00 0.00 H new ATOM 1209 N GLU A 86 -7.934 15.645 0.591 1.00 0.00 N ATOM 1210 CA GLU A 86 -8.002 15.033 1.908 1.00 0.00 C ATOM 1211 C GLU A 86 -6.756 14.181 2.162 1.00 0.00 C ATOM 1212 O GLU A 86 -5.898 14.552 2.960 1.00 0.00 O ATOM 1213 CB GLU A 86 -9.276 14.201 2.061 1.00 0.00 C ATOM 1214 CG GLU A 86 -9.543 13.873 3.532 1.00 0.00 C ATOM 1215 CD GLU A 86 -10.761 14.640 4.052 1.00 0.00 C ATOM 1216 OE1 GLU A 86 -11.573 15.130 3.253 1.00 0.00 O ATOM 1217 OE2 GLU A 86 -10.849 14.718 5.336 1.00 0.00 O ATOM 0 H GLU A 86 -7.574 15.037 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.034 15.826 2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.123 14.747 1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.182 13.277 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.708 12.802 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.667 14.126 4.130 1.00 0.00 H new ATOM 1223 N ALA A 87 -6.697 13.054 1.467 1.00 0.00 N ATOM 1224 CA ALA A 87 -5.572 12.146 1.606 1.00 0.00 C ATOM 1225 C ALA A 87 -5.752 10.966 0.648 1.00 0.00 C ATOM 1226 O ALA A 87 -5.053 10.867 -0.358 1.00 0.00 O ATOM 1227 CB ALA A 87 -5.453 11.700 3.065 1.00 0.00 C ATOM 0 H ALA A 87 -7.411 12.749 0.806 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.640 12.646 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.609 11.019 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.296 12.572 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.369 11.192 3.366 1.00 0.00 H new ATOM 1233 N ALA A 88 -6.694 10.101 0.996 1.00 0.00 N ATOM 1234 CA ALA A 88 -6.975 8.932 0.181 1.00 0.00 C ATOM 1235 C ALA A 88 -8.034 8.074 0.874 1.00 0.00 C ATOM 1236 O ALA A 88 -8.682 8.524 1.819 1.00 0.00 O ATOM 1237 CB ALA A 88 -5.677 8.164 -0.075 1.00 0.00 C ATOM 0 H ALA A 88 -7.272 10.187 1.832 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.375 9.228 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.888 7.287 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.970 8.809 -0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.247 7.849 0.876 1.00 0.00 H new ATOM 1243 N GLN A 89 -8.178 6.853 0.380 1.00 0.00 N ATOM 1244 CA GLN A 89 -9.148 5.929 0.941 1.00 0.00 C ATOM 1245 C GLN A 89 -8.565 5.230 2.171 1.00 0.00 C ATOM 1246 O GLN A 89 -8.043 4.120 2.070 1.00 0.00 O ATOM 1247 CB GLN A 89 -9.601 4.908 -0.106 1.00 0.00 C ATOM 1248 CG GLN A 89 -9.487 5.483 -1.519 1.00 0.00 C ATOM 1249 CD GLN A 89 -8.249 4.939 -2.236 1.00 0.00 C ATOM 1250 OE1 GLN A 89 -7.359 5.670 -2.633 1.00 0.00 O ATOM 1251 NE2 GLN A 89 -8.245 3.616 -2.377 1.00 0.00 N ATOM 0 H GLN A 89 -7.639 6.482 -0.403 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.025 6.497 1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.993 4.007 -0.026 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.633 4.615 0.089 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.381 5.233 -2.090 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.434 6.571 -1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.024 3.063 -2.020 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.463 3.155 -2.842 1.00 0.00 H new ATOM 1258 N ALA A 90 -8.672 5.909 3.304 1.00 0.00 N ATOM 1259 CA ALA A 90 -8.163 5.367 4.552 1.00 0.00 C ATOM 1260 C ALA A 90 -8.425 6.366 5.680 1.00 0.00 C ATOM 1261 O ALA A 90 -9.080 6.036 6.668 1.00 0.00 O ATOM 1262 CB ALA A 90 -6.676 5.039 4.397 1.00 0.00 C ATOM 0 H ALA A 90 -9.104 6.830 3.383 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.677 4.440 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.294 4.632 5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.546 4.304 3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.128 5.947 4.145 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.898 7.569 5.497 1.00 0.00 N ATOM 1269 CA LEU A 91 -8.067 8.618 6.489 1.00 0.00 C ATOM 1270 C LEU A 91 -9.558 8.920 6.657 1.00 0.00 C ATOM 1271 O LEU A 91 -10.379 8.472 5.858 1.00 0.00 O ATOM 1272 CB LEU A 91 -7.230 9.845 6.118 1.00 0.00 C ATOM 1273 CG LEU A 91 -7.915 10.877 5.221 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -8.579 10.205 4.018 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -8.903 11.729 6.021 1.00 0.00 C ATOM 0 H LEU A 91 -7.355 7.840 4.677 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.696 8.288 7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.921 10.341 7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.323 9.504 5.619 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.152 11.550 4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.058 10.962 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.825 9.680 3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.328 9.494 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.376 12.455 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.666 11.086 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.371 12.254 6.815 1.00 0.00 H new ATOM 1286 N ARG A 92 -9.861 9.675 7.702 1.00 0.00 N ATOM 1287 CA ARG A 92 -11.239 10.041 7.986 1.00 0.00 C ATOM 1288 C ARG A 92 -11.314 10.874 9.267 1.00 0.00 C ATOM 1289 O ARG A 92 -12.177 10.643 10.112 1.00 0.00 O ATOM 1290 CB ARG A 92 -12.118 8.799 8.141 1.00 0.00 C ATOM 1291 CG ARG A 92 -11.696 7.977 9.361 1.00 0.00 C ATOM 1292 CD ARG A 92 -12.899 7.270 9.989 1.00 0.00 C ATOM 1293 NE ARG A 92 -12.828 7.365 11.464 1.00 0.00 N ATOM 1294 CZ ARG A 92 -13.345 8.385 12.183 1.00 0.00 C ATOM 1295 NH1 ARG A 92 -13.975 9.408 11.566 1.00 0.00 N ATOM 1296 NH2 ARG A 92 -13.224 8.368 13.497 1.00 0.00 N ATOM 0 H ARG A 92 -9.177 10.044 8.363 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.606 10.629 7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.161 9.098 8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.048 8.185 7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.949 7.240 9.066 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.227 8.629 10.098 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.824 7.722 9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.916 6.224 9.684 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.359 6.613 11.969 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.063 9.414 10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.363 10.174 12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.746 7.592 13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.609 9.131 14.054 1.00 0.00 H new ATOM 1305 N ALA A 93 -10.397 11.825 9.371 1.00 0.00 N ATOM 1306 CA ALA A 93 -10.348 12.692 10.536 1.00 0.00 C ATOM 1307 C ALA A 93 -9.179 13.669 10.390 1.00 0.00 C ATOM 1308 O ALA A 93 -9.372 14.883 10.429 1.00 0.00 O ATOM 1309 CB ALA A 93 -10.242 11.842 11.803 1.00 0.00 C ATOM 0 H ALA A 93 -9.683 12.014 8.668 1.00 0.00 H new ATOM 0 HA ALA A 93 -11.262 13.280 10.615 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.205 12.493 12.676 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.110 11.187 11.875 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.335 11.239 11.762 1.00 0.00 H new ATOM 1315 N LYS A 94 -7.992 13.101 10.225 1.00 0.00 N ATOM 1316 CA LYS A 94 -6.793 13.907 10.074 1.00 0.00 C ATOM 1317 C LYS A 94 -6.437 14.009 8.589 1.00 0.00 C ATOM 1318 O LYS A 94 -7.098 13.405 7.746 1.00 0.00 O ATOM 1319 CB LYS A 94 -5.662 13.351 10.940 1.00 0.00 C ATOM 1320 CG LYS A 94 -4.764 14.477 11.459 1.00 0.00 C ATOM 1321 CD LYS A 94 -4.413 14.264 12.933 1.00 0.00 C ATOM 1322 CE LYS A 94 -2.905 14.090 13.117 1.00 0.00 C ATOM 1323 NZ LYS A 94 -2.534 14.256 14.540 1.00 0.00 N ATOM 0 H LYS A 94 -7.836 12.093 10.193 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.968 14.922 10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.081 12.798 11.781 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.068 12.645 10.359 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.850 14.520 10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.269 15.435 11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.759 15.115 13.520 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.933 13.384 13.311 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.602 13.103 12.769 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.372 14.820 12.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.551 14.589 14.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.166 14.953 14.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.625 13.344 15.031 1.00 0.00 H new ATOM 1332 N ILE A 95 -5.394 14.779 8.315 1.00 0.00 N ATOM 1333 CA ILE A 95 -4.941 14.967 6.947 1.00 0.00 C ATOM 1334 C ILE A 95 -4.239 13.696 6.467 1.00 0.00 C ATOM 1335 O ILE A 95 -4.770 12.969 5.629 1.00 0.00 O ATOM 1336 CB ILE A 95 -4.080 16.226 6.837 1.00 0.00 C ATOM 1337 CG1 ILE A 95 -4.949 17.483 6.777 1.00 0.00 C ATOM 1338 CG2 ILE A 95 -3.123 16.133 5.646 1.00 0.00 C ATOM 1339 CD1 ILE A 95 -5.342 17.946 8.181 1.00 0.00 C ATOM 0 H ILE A 95 -4.850 15.280 9.017 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.790 15.131 6.283 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.469 16.301 7.737 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.408 18.279 6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.847 17.281 6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.522 17.041 5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.468 15.271 5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.697 16.021 4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.959 18.841 8.109 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.904 17.157 8.680 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.443 18.170 8.755 1.00 0.00 H new ATOM 1350 N GLU A 96 -3.056 13.468 7.017 1.00 0.00 N ATOM 1351 CA GLU A 96 -2.275 12.297 6.655 1.00 0.00 C ATOM 1352 C GLU A 96 -3.105 11.026 6.845 1.00 0.00 C ATOM 1353 O GLU A 96 -3.623 10.468 5.879 1.00 0.00 O ATOM 1354 CB GLU A 96 -0.978 12.232 7.464 1.00 0.00 C ATOM 1355 CG GLU A 96 0.239 12.138 6.542 1.00 0.00 C ATOM 1356 CD GLU A 96 0.802 10.715 6.518 1.00 0.00 C ATOM 1357 OE1 GLU A 96 0.132 9.777 6.975 1.00 0.00 O ATOM 1358 OE2 GLU A 96 1.977 10.602 6.000 1.00 0.00 O ATOM 0 H GLU A 96 -2.619 14.074 7.711 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.004 12.376 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.894 13.117 8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.003 11.369 8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.041 12.439 5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.009 12.832 6.879 1.00 0.00 H new ATOM 1364 N SER A 97 -3.207 10.605 8.098 1.00 0.00 N ATOM 1365 CA SER A 97 -3.965 9.410 8.426 1.00 0.00 C ATOM 1366 C SER A 97 -3.944 9.177 9.938 1.00 0.00 C ATOM 1367 O SER A 97 -2.883 8.966 10.523 1.00 0.00 O ATOM 1368 CB SER A 97 -3.411 8.187 7.693 1.00 0.00 C ATOM 1369 OG SER A 97 -4.329 7.685 6.725 1.00 0.00 O ATOM 0 H SER A 97 -2.777 11.070 8.897 1.00 0.00 H new ATOM 0 HA SER A 97 -4.995 9.558 8.101 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.475 8.452 7.202 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.182 7.404 8.416 1.00 0.00 H new ATOM 0 HG SER A 97 -4.480 8.364 6.034 1.00 0.00 H new ATOM 1374 N GLU A 98 -5.130 9.223 10.528 1.00 0.00 N ATOM 1375 CA GLU A 98 -5.261 9.021 11.961 1.00 0.00 C ATOM 1376 C GLU A 98 -6.682 8.571 12.306 1.00 0.00 C ATOM 1377 O GLU A 98 -7.145 8.769 13.427 1.00 0.00 O ATOM 1378 CB GLU A 98 -4.884 10.287 12.731 1.00 0.00 C ATOM 1379 CG GLU A 98 -3.707 10.027 13.673 1.00 0.00 C ATOM 1380 CD GLU A 98 -3.899 10.754 15.006 1.00 0.00 C ATOM 1381 OE1 GLU A 98 -3.510 11.924 15.135 1.00 0.00 O ATOM 1382 OE2 GLU A 98 -4.477 10.061 15.927 1.00 0.00 O ATOM 0 H GLU A 98 -6.008 9.397 10.040 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.569 8.234 12.262 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.624 11.080 12.029 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.742 10.637 13.304 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.608 8.956 13.850 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.781 10.359 13.204 1.00 0.00 H new ATOM 1388 N ASN A 99 -7.335 7.974 11.319 1.00 0.00 N ATOM 1389 CA ASN A 99 -8.694 7.495 11.503 1.00 0.00 C ATOM 1390 C ASN A 99 -8.816 6.834 12.878 1.00 0.00 C ATOM 1391 O ASN A 99 -8.391 5.694 13.062 1.00 0.00 O ATOM 1392 CB ASN A 99 -9.060 6.453 10.445 1.00 0.00 C ATOM 1393 CG ASN A 99 -8.121 5.248 10.514 1.00 0.00 C ATOM 1394 OD1 ASN A 99 -8.405 4.242 11.144 1.00 0.00 O ATOM 1395 ND2 ASN A 99 -6.989 5.403 9.832 1.00 0.00 N ATOM 0 H ASN A 99 -6.948 7.811 10.390 1.00 0.00 H new ATOM 0 HA ASN A 99 -9.366 8.349 11.416 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -10.089 6.125 10.593 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -9.008 6.903 9.453 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.297 4.654 9.815 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -6.813 6.271 9.326 1.00 0.00 H new ATOM 1401 N PRO A 100 -9.411 7.597 13.832 1.00 0.00 N ATOM 1402 CA PRO A 100 -9.594 7.097 15.185 1.00 0.00 C ATOM 1403 C PRO A 100 -10.731 6.076 15.243 1.00 0.00 C ATOM 1404 O PRO A 100 -11.800 6.362 15.781 1.00 0.00 O ATOM 1405 CB PRO A 100 -9.862 8.334 16.028 1.00 0.00 C ATOM 1406 CG PRO A 100 -10.279 9.421 15.052 1.00 0.00 C ATOM 1407 CD PRO A 100 -9.925 8.951 13.650 1.00 0.00 C ATOM 0 HA PRO A 100 -8.722 6.559 15.557 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.647 8.145 16.761 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -8.972 8.628 16.583 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -11.349 9.615 15.131 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.768 10.356 15.281 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -10.798 8.959 12.997 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -9.179 9.600 13.192 1.00 0.00 H new ATOM 1412 N ASP A 101 -10.462 4.906 14.682 1.00 0.00 N ATOM 1413 CA ASP A 101 -11.449 3.840 14.664 1.00 0.00 C ATOM 1414 C ASP A 101 -10.751 2.509 14.376 1.00 0.00 C ATOM 1415 O ASP A 101 -10.691 1.637 15.241 1.00 0.00 O ATOM 1416 CB ASP A 101 -12.491 4.074 13.567 1.00 0.00 C ATOM 1417 CG ASP A 101 -13.930 3.735 13.960 1.00 0.00 C ATOM 1418 OD1 ASP A 101 -14.184 2.747 14.665 1.00 0.00 O ATOM 1419 OD2 ASP A 101 -14.825 4.545 13.505 1.00 0.00 O ATOM 0 H ASP A 101 -9.574 4.673 14.237 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.944 3.822 15.635 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -12.450 5.120 13.265 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -12.219 3.479 12.695 1.00 0.00 H new ATOM 1424 N ALA A 102 -10.242 2.395 13.159 1.00 0.00 N ATOM 1425 CA ALA A 102 -9.551 1.185 12.747 1.00 0.00 C ATOM 1426 C ALA A 102 -10.580 0.100 12.424 1.00 0.00 C ATOM 1427 O ALA A 102 -10.348 -1.079 12.687 1.00 0.00 O ATOM 1428 CB ALA A 102 -8.576 0.755 13.845 1.00 0.00 C ATOM 0 H ALA A 102 -10.294 3.121 12.444 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.967 1.365 11.844 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.058 -0.153 13.536 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.848 1.548 14.016 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.127 0.563 14.766 1.00 0.00 H new ATOM 1434 N VAL A 103 -11.694 0.537 11.857 1.00 0.00 N ATOM 1435 CA VAL A 103 -12.760 -0.382 11.495 1.00 0.00 C ATOM 1436 C VAL A 103 -12.244 -1.363 10.440 1.00 0.00 C ATOM 1437 O VAL A 103 -11.226 -1.111 9.798 1.00 0.00 O ATOM 1438 CB VAL A 103 -13.992 0.400 11.032 1.00 0.00 C ATOM 1439 CG1 VAL A 103 -15.236 -0.489 11.028 1.00 0.00 C ATOM 1440 CG2 VAL A 103 -14.209 1.643 11.897 1.00 0.00 C ATOM 0 H VAL A 103 -11.882 1.516 11.639 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.070 -0.967 12.361 1.00 0.00 H new ATOM 0 HB VAL A 103 -13.814 0.731 10.009 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.097 0.091 10.695 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.081 -1.329 10.351 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.419 -0.864 12.035 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -15.090 2.181 11.547 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -14.355 1.343 12.935 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -13.336 2.292 11.826 1.00 0.00 H new ATOM 1450 N ALA A 104 -12.970 -2.462 10.295 1.00 0.00 N ATOM 1451 CA ALA A 104 -12.598 -3.482 9.331 1.00 0.00 C ATOM 1452 C ALA A 104 -13.708 -4.534 9.253 1.00 0.00 C ATOM 1453 O ALA A 104 -14.151 -4.895 8.165 1.00 0.00 O ATOM 1454 CB ALA A 104 -11.248 -4.087 9.720 1.00 0.00 C ATOM 0 H ALA A 104 -13.814 -2.668 10.829 1.00 0.00 H new ATOM 0 HA ALA A 104 -12.485 -3.047 8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.970 -4.853 8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.489 -3.305 9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.322 -4.535 10.711 1.00 0.00 H new ATOM 1460 N ASN A 105 -14.123 -4.995 10.424 1.00 0.00 N ATOM 1461 CA ASN A 105 -15.173 -5.998 10.503 1.00 0.00 C ATOM 1462 C ASN A 105 -15.251 -6.535 11.933 1.00 0.00 C ATOM 1463 O ASN A 105 -14.234 -6.896 12.522 1.00 0.00 O ATOM 1464 CB ASN A 105 -14.880 -7.175 9.571 1.00 0.00 C ATOM 1465 CG ASN A 105 -15.776 -8.371 9.902 1.00 0.00 C ATOM 1466 OD1 ASN A 105 -16.992 -8.278 9.936 1.00 0.00 O ATOM 1467 ND2 ASN A 105 -15.109 -9.497 10.140 1.00 0.00 N ATOM 0 H ASN A 105 -13.752 -4.693 11.325 1.00 0.00 H new ATOM 0 HA ASN A 105 -16.112 -5.529 10.208 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -15.038 -6.872 8.536 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -13.833 -7.464 9.662 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.617 -10.352 10.368 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -14.090 -9.505 10.095 1.00 0.00 H new ATOM 1473 N VAL A 106 -16.471 -6.570 12.451 1.00 0.00 N ATOM 1474 CA VAL A 106 -16.696 -7.057 13.802 1.00 0.00 C ATOM 1475 C VAL A 106 -18.022 -7.818 13.850 1.00 0.00 C ATOM 1476 O VAL A 106 -18.747 -7.874 12.858 1.00 0.00 O ATOM 1477 CB VAL A 106 -16.637 -5.894 14.795 1.00 0.00 C ATOM 1478 CG1 VAL A 106 -16.108 -6.358 16.152 1.00 0.00 C ATOM 1479 CG2 VAL A 106 -15.794 -4.744 14.241 1.00 0.00 C ATOM 0 H VAL A 106 -17.313 -6.269 11.960 1.00 0.00 H new ATOM 0 HA VAL A 106 -15.910 -7.754 14.093 1.00 0.00 H new ATOM 0 HB VAL A 106 -17.652 -5.525 14.941 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -16.076 -5.512 16.839 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -16.766 -7.128 16.555 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -15.104 -6.765 16.031 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -15.768 -3.930 14.966 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -14.779 -5.095 14.052 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -16.233 -4.387 13.310 1.00 0.00 H new ATOM 1489 N GLN A 107 -18.301 -8.384 15.015 1.00 0.00 N ATOM 1490 CA GLN A 107 -19.528 -9.139 15.206 1.00 0.00 C ATOM 1491 C GLN A 107 -19.612 -9.661 16.642 1.00 0.00 C ATOM 1492 O GLN A 107 -19.031 -10.698 16.964 1.00 0.00 O ATOM 1493 CB GLN A 107 -19.629 -10.286 14.198 1.00 0.00 C ATOM 1494 CG GLN A 107 -20.904 -11.102 14.422 1.00 0.00 C ATOM 1495 CD GLN A 107 -21.134 -12.084 13.272 1.00 0.00 C ATOM 1496 OE1 GLN A 107 -20.233 -12.428 12.525 1.00 0.00 O ATOM 1497 NE2 GLN A 107 -22.389 -12.515 13.172 1.00 0.00 N ATOM 0 H GLN A 107 -17.698 -8.335 15.836 1.00 0.00 H new ATOM 0 HA GLN A 107 -20.373 -8.472 15.033 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -19.623 -9.886 13.184 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -18.757 -10.934 14.290 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -20.830 -11.648 15.362 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -21.759 -10.431 14.509 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -23.095 -12.187 13.831 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -22.645 -13.174 12.436 1.00 0.00 H new ATOM 1504 N ALA A 108 -20.339 -8.921 17.466 1.00 0.00 N ATOM 1505 CA ALA A 108 -20.505 -9.297 18.860 1.00 0.00 C ATOM 1506 C ALA A 108 -21.508 -8.351 19.522 1.00 0.00 C ATOM 1507 O ALA A 108 -21.348 -7.985 20.686 1.00 0.00 O ATOM 1508 CB ALA A 108 -19.144 -9.286 19.558 1.00 0.00 C ATOM 0 H ALA A 108 -20.820 -8.063 17.195 1.00 0.00 H new ATOM 0 HA ALA A 108 -20.903 -10.308 18.940 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -19.269 -9.568 20.603 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -18.478 -9.996 19.068 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -18.714 -8.286 19.501 1.00 0.00 H new ATOM 1514 N ARG A 109 -22.522 -7.980 18.752 1.00 0.00 N ATOM 1515 CA ARG A 109 -23.551 -7.084 19.250 1.00 0.00 C ATOM 1516 C ARG A 109 -24.928 -7.743 19.141 1.00 0.00 C ATOM 1517 O ARG A 109 -25.856 -7.161 18.583 1.00 0.00 O ATOM 1518 CB ARG A 109 -23.559 -5.769 18.469 1.00 0.00 C ATOM 1519 CG ARG A 109 -23.568 -6.027 16.961 1.00 0.00 C ATOM 1520 CD ARG A 109 -22.223 -5.652 16.333 1.00 0.00 C ATOM 1521 NE ARG A 109 -22.056 -4.181 16.336 1.00 0.00 N ATOM 1522 CZ ARG A 109 -22.761 -3.337 15.555 1.00 0.00 C ATOM 1523 NH1 ARG A 109 -23.690 -3.813 14.697 1.00 0.00 N ATOM 1524 NH2 ARG A 109 -22.530 -2.041 15.639 1.00 0.00 N ATOM 0 H ARG A 109 -22.652 -8.284 17.787 1.00 0.00 H new ATOM 0 HA ARG A 109 -23.329 -6.872 20.296 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -24.435 -5.182 18.746 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -22.682 -5.178 18.735 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -23.782 -7.078 16.769 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -24.365 -5.449 16.494 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -21.410 -6.120 16.888 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -22.171 -6.030 15.312 1.00 0.00 H new ATOM 0 HE ARG A 109 -21.364 -3.780 16.969 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -23.862 -4.817 14.637 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -24.219 -3.169 14.110 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -21.826 -1.689 16.288 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -23.055 -1.390 15.055 1.00 0.00 H new ATOM 1533 N LEU A 110 -25.015 -8.949 19.683 1.00 0.00 N ATOM 1534 CA LEU A 110 -26.263 -9.694 19.654 1.00 0.00 C ATOM 1535 C LEU A 110 -27.018 -9.465 20.965 1.00 0.00 C ATOM 1536 O LEU A 110 -26.468 -8.912 21.914 1.00 0.00 O ATOM 1537 CB LEU A 110 -25.999 -11.169 19.345 1.00 0.00 C ATOM 1538 CG LEU A 110 -27.082 -11.889 18.540 1.00 0.00 C ATOM 1539 CD1 LEU A 110 -26.699 -11.977 17.061 1.00 0.00 C ATOM 1540 CD2 LEU A 110 -27.384 -13.265 19.137 1.00 0.00 C ATOM 0 H LEU A 110 -24.242 -9.429 20.145 1.00 0.00 H new ATOM 0 HA LEU A 110 -26.904 -9.334 18.849 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -25.059 -11.243 18.799 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -25.862 -11.699 20.288 1.00 0.00 H new ATOM 0 HG LEU A 110 -27.999 -11.303 18.600 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -27.486 -12.493 16.511 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -26.574 -10.972 16.657 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -25.764 -12.528 16.959 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -28.157 -13.756 18.546 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -26.479 -13.872 19.127 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -27.731 -13.148 20.164 1.00 0.00 H new ATOM 1551 N GLU A 111 -28.268 -9.905 20.973 1.00 0.00 N ATOM 1552 CA GLU A 111 -29.105 -9.755 22.152 1.00 0.00 C ATOM 1553 C GLU A 111 -29.975 -10.998 22.347 1.00 0.00 C ATOM 1554 O GLU A 111 -31.140 -11.013 21.954 1.00 0.00 O ATOM 1555 CB GLU A 111 -29.966 -8.493 22.057 1.00 0.00 C ATOM 1556 CG GLU A 111 -29.095 -7.235 22.055 1.00 0.00 C ATOM 1557 CD GLU A 111 -28.788 -6.778 23.482 1.00 0.00 C ATOM 1558 OE1 GLU A 111 -28.910 -7.573 24.427 1.00 0.00 O ATOM 1559 OE2 GLU A 111 -28.410 -5.551 23.593 1.00 0.00 O ATOM 0 H GLU A 111 -28.721 -10.365 20.183 1.00 0.00 H new ATOM 0 HA GLU A 111 -28.457 -9.648 23.022 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -30.566 -8.526 21.148 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -30.660 -8.458 22.897 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -28.164 -7.434 21.525 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -29.604 -6.437 21.515 1.00 0.00 H new ATOM 1565 N ALA A 112 -29.374 -12.013 22.952 1.00 0.00 N ATOM 1566 CA ALA A 112 -30.079 -13.259 23.203 1.00 0.00 C ATOM 1567 C ALA A 112 -29.587 -13.861 24.520 1.00 0.00 C ATOM 1568 O ALA A 112 -28.641 -14.648 24.532 1.00 0.00 O ATOM 1569 CB ALA A 112 -29.881 -14.206 22.018 1.00 0.00 C ATOM 0 H ALA A 112 -28.407 -11.998 23.276 1.00 0.00 H new ATOM 0 HA ALA A 112 -31.150 -13.081 23.302 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -30.410 -15.140 22.207 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -30.274 -13.743 21.113 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -28.818 -14.410 21.889 1.00 0.00 H new ATOM 1575 N GLU A 113 -30.251 -13.469 25.598 1.00 0.00 N ATOM 1576 CA GLU A 113 -29.893 -13.962 26.918 1.00 0.00 C ATOM 1577 C GLU A 113 -31.139 -14.074 27.799 1.00 0.00 C ATOM 1578 O GLU A 113 -31.547 -15.175 28.165 1.00 0.00 O ATOM 1579 CB GLU A 113 -28.838 -13.065 27.570 1.00 0.00 C ATOM 1580 CG GLU A 113 -28.368 -13.652 28.902 1.00 0.00 C ATOM 1581 CD GLU A 113 -28.884 -12.820 30.079 1.00 0.00 C ATOM 1582 OE1 GLU A 113 -29.068 -11.602 29.944 1.00 0.00 O ATOM 1583 OE2 GLU A 113 -29.095 -13.486 31.164 1.00 0.00 O ATOM 0 H GLU A 113 -31.034 -12.816 25.584 1.00 0.00 H new ATOM 0 HA GLU A 113 -29.460 -14.956 26.809 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -27.987 -12.951 26.898 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -29.252 -12.070 27.733 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -28.720 -14.679 28.996 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -27.279 -13.685 28.925 1.00 0.00 H new ATOM 1589 N SER A 114 -31.708 -12.920 28.114 1.00 0.00 N ATOM 1590 CA SER A 114 -32.898 -12.874 28.944 1.00 0.00 C ATOM 1591 C SER A 114 -32.595 -13.458 30.325 1.00 0.00 C ATOM 1592 O SER A 114 -31.551 -14.076 30.526 1.00 0.00 O ATOM 1593 CB SER A 114 -34.056 -13.632 28.290 1.00 0.00 C ATOM 1594 OG SER A 114 -34.482 -13.015 27.079 1.00 0.00 O ATOM 0 H SER A 114 -31.366 -12.009 27.809 1.00 0.00 H new ATOM 0 HA SER A 114 -33.198 -11.832 29.054 1.00 0.00 H new ATOM 0 HB2 SER A 114 -33.748 -14.657 28.086 1.00 0.00 H new ATOM 0 HB3 SER A 114 -34.894 -13.683 28.985 1.00 0.00 H new ATOM 0 HG SER A 114 -35.221 -13.530 26.692 1.00 0.00 H new ATOM 1599 N LYS A 115 -33.527 -13.241 31.242 1.00 0.00 N ATOM 1600 CA LYS A 115 -33.373 -13.738 32.598 1.00 0.00 C ATOM 1601 C LYS A 115 -33.282 -15.265 32.571 1.00 0.00 C ATOM 1602 O LYS A 115 -32.751 -15.841 31.623 1.00 0.00 O ATOM 1603 CB LYS A 115 -34.492 -13.204 33.495 1.00 0.00 C ATOM 1604 CG LYS A 115 -34.427 -13.836 34.888 1.00 0.00 C ATOM 1605 CD LYS A 115 -35.099 -12.938 35.929 1.00 0.00 C ATOM 1606 CE LYS A 115 -36.610 -13.173 35.960 1.00 0.00 C ATOM 1607 NZ LYS A 115 -36.996 -13.904 37.188 1.00 0.00 N ATOM 0 H LYS A 115 -34.392 -12.727 31.072 1.00 0.00 H new ATOM 0 HA LYS A 115 -32.444 -13.371 33.034 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -34.410 -12.120 33.579 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -35.460 -13.416 33.040 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -34.916 -14.810 34.873 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -33.387 -14.006 35.166 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -34.676 -13.137 36.914 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -34.894 -11.892 35.699 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -37.133 -12.218 35.919 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -36.914 -13.741 35.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -38.025 -14.055 37.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -36.511 -14.824 37.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -36.724 -13.347 38.023 1.00 0.00 H new TER 1616 LYS A 115