USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 74 ASN : amide:sc= -5.2! C(o=-12!,f=-8!) USER MOD Set 1.2: A 96 GLN : amide:sc= -6.7! C(o=-12!,f=-11!) USER MOD Single : A 19 LYS NZ :NH3+ -140:sc= -1.08 (180deg=-2.62!) USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= -0.351 (180deg=-1.01) USER MOD Single : A 26 GLN : amide:sc= -0.496 X(o=-0.5,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 61:sc= -0.364! USER MOD Single : A 42 SER OG : rot 94:sc= 0.72 USER MOD Single : A 46 THR OG1 : rot -166:sc= -1.85! USER MOD Single : A 51 ASN : amide:sc= -0.439 K(o=-0.44,f=-2!) USER MOD Single : A 52 MET CE :methyl -163:sc= -0.92 (180deg=-1.43) USER MOD Single : A 53 MET CE :methyl -147:sc= -6.62! (180deg=-10.5!) USER MOD Single : A 54 HIS : no HE2:sc= 0.405 K(o=0.41,f=-1.8!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 90:sc= -1.17! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 69 GLN : amide:sc= -6.76 K(o=-6.8,f=-19!) USER MOD Single : A 71 MET CE :methyl 180:sc= -8.35! (180deg=-8.35!) USER MOD Single : A 72 SER OG : rot 180:sc= -0.0805 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0854 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0783 USER MOD Single : A 85 THR OG1 : rot -170:sc= -0.997 USER MOD Single : A 86 CYS SG : rot 87:sc= -1.35 USER MOD Single : A 87 GLN : amide:sc= -2.32! C(o=-2.3!,f=-1.7!) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0274 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -151:sc= -0.141 (180deg=-0.626) USER MOD Single : A 95 ASN : amide:sc=-0.00202 X(o=-0.002,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.714 K(o=-0.71,f=-0.15) USER MOD Single : B -1 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.829 -9.323 -8.968 1.00 0.00 N ATOM 2 CA GLU A 17 -14.969 -8.891 -10.065 1.00 0.00 C ATOM 3 C GLU A 17 -13.995 -7.806 -9.612 1.00 0.00 C ATOM 4 O GLU A 17 -14.387 -6.838 -8.961 1.00 0.00 O ATOM 5 CB GLU A 17 -15.817 -8.373 -11.228 1.00 0.00 C ATOM 6 CG GLU A 17 -15.128 -8.475 -12.579 1.00 0.00 C ATOM 7 CD GLU A 17 -14.869 -9.910 -12.995 1.00 0.00 C ATOM 8 OE1 GLU A 17 -15.698 -10.782 -12.665 1.00 0.00 O ATOM 9 OE2 GLU A 17 -13.836 -10.160 -13.652 1.00 0.00 O ATOM 0 HA GLU A 17 -14.390 -9.753 -10.395 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.751 -8.934 -11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.077 -7.331 -11.041 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.744 -7.987 -13.334 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.182 -7.935 -12.542 1.00 0.00 H new ATOM 16 N PHE A 18 -12.725 -7.976 -9.968 1.00 0.00 N ATOM 17 CA PHE A 18 -11.691 -7.010 -9.609 1.00 0.00 C ATOM 18 C PHE A 18 -11.929 -5.681 -10.320 1.00 0.00 C ATOM 19 O PHE A 18 -12.530 -5.643 -11.395 1.00 0.00 O ATOM 20 CB PHE A 18 -10.309 -7.556 -9.982 1.00 0.00 C ATOM 21 CG PHE A 18 -9.549 -8.139 -8.825 1.00 0.00 C ATOM 22 CD1 PHE A 18 -9.937 -9.342 -8.255 1.00 0.00 C ATOM 23 CD2 PHE A 18 -8.436 -7.490 -8.315 1.00 0.00 C ATOM 24 CE1 PHE A 18 -9.231 -9.883 -7.198 1.00 0.00 C ATOM 25 CE2 PHE A 18 -7.726 -8.027 -7.261 1.00 0.00 C ATOM 26 CZ PHE A 18 -8.124 -9.225 -6.701 1.00 0.00 C ATOM 0 H PHE A 18 -12.387 -8.774 -10.505 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.734 -6.844 -8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.427 -8.322 -10.748 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.719 -6.752 -10.423 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.801 -9.862 -8.642 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.120 -6.552 -8.748 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.545 -10.820 -6.761 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.860 -7.511 -6.874 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.570 -9.646 -5.875 1.00 0.00 H new ATOM 36 N LYS A 19 -11.453 -4.593 -9.721 1.00 0.00 N ATOM 37 CA LYS A 19 -11.618 -3.271 -10.312 1.00 0.00 C ATOM 38 C LYS A 19 -10.658 -2.262 -9.690 1.00 0.00 C ATOM 39 O LYS A 19 -10.621 -2.088 -8.470 1.00 0.00 O ATOM 40 CB LYS A 19 -13.061 -2.789 -10.149 1.00 0.00 C ATOM 41 CG LYS A 19 -13.585 -2.911 -8.729 1.00 0.00 C ATOM 42 CD LYS A 19 -13.625 -1.561 -8.029 1.00 0.00 C ATOM 43 CE LYS A 19 -14.529 -0.579 -8.758 1.00 0.00 C ATOM 44 NZ LYS A 19 -13.750 0.386 -9.584 1.00 0.00 N ATOM 0 H LYS A 19 -10.953 -4.601 -8.832 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.386 -3.351 -11.374 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.125 -1.747 -10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.705 -3.363 -10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.586 -3.343 -8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.952 -3.596 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.978 -1.691 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.616 -1.152 -7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.221 -1.128 -9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.131 -0.032 -8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.175 1.332 -9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.767 0.419 -9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.763 0.081 -10.578 1.00 0.00 H new ATOM 58 N ASP A 20 -9.888 -1.593 -10.544 1.00 0.00 N ATOM 59 CA ASP A 20 -8.932 -0.589 -10.094 1.00 0.00 C ATOM 60 C ASP A 20 -9.654 0.697 -9.708 1.00 0.00 C ATOM 61 O ASP A 20 -10.129 1.437 -10.570 1.00 0.00 O ATOM 62 CB ASP A 20 -7.903 -0.304 -11.191 1.00 0.00 C ATOM 63 CG ASP A 20 -6.491 -0.198 -10.648 1.00 0.00 C ATOM 64 OD1 ASP A 20 -6.118 0.895 -10.176 1.00 0.00 O ATOM 65 OD2 ASP A 20 -5.762 -1.211 -10.691 1.00 0.00 O ATOM 0 H ASP A 20 -9.909 -1.730 -11.555 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.413 -0.976 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.943 -1.097 -11.938 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.165 0.625 -11.698 1.00 0.00 H new ATOM 70 N VAL A 21 -9.742 0.952 -8.409 1.00 0.00 N ATOM 71 CA VAL A 21 -10.414 2.140 -7.906 1.00 0.00 C ATOM 72 C VAL A 21 -9.477 3.340 -7.872 1.00 0.00 C ATOM 73 O VAL A 21 -8.348 3.245 -7.394 1.00 0.00 O ATOM 74 CB VAL A 21 -10.971 1.911 -6.490 1.00 0.00 C ATOM 75 CG1 VAL A 21 -11.837 3.085 -6.061 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.755 0.608 -6.427 1.00 0.00 C ATOM 0 H VAL A 21 -9.355 0.349 -7.683 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.236 2.344 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.133 1.836 -5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.222 2.905 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.240 3.997 -6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.670 3.195 -6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.141 0.464 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.586 0.649 -7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.100 -0.224 -6.687 1.00 0.00 H new ATOM 86 N PHE A 22 -9.958 4.473 -8.367 1.00 0.00 N ATOM 87 CA PHE A 22 -9.168 5.694 -8.373 1.00 0.00 C ATOM 88 C PHE A 22 -9.970 6.837 -7.767 1.00 0.00 C ATOM 89 O PHE A 22 -10.879 7.375 -8.398 1.00 0.00 O ATOM 90 CB PHE A 22 -8.728 6.054 -9.797 1.00 0.00 C ATOM 91 CG PHE A 22 -7.290 6.500 -9.917 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.493 6.688 -8.793 1.00 0.00 C ATOM 93 CD2 PHE A 22 -6.734 6.730 -11.166 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.180 7.093 -8.916 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.419 7.136 -11.293 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.642 7.318 -10.166 1.00 0.00 C ATOM 0 H PHE A 22 -10.890 4.570 -8.769 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.274 5.527 -7.772 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.881 5.187 -10.440 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.373 6.848 -10.173 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.907 6.515 -7.811 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.336 6.590 -12.051 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.573 7.234 -8.034 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.999 7.311 -12.273 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.614 7.636 -10.263 1.00 0.00 H new ATOM 106 N ILE A 23 -9.635 7.194 -6.534 1.00 0.00 N ATOM 107 CA ILE A 23 -10.332 8.265 -5.838 1.00 0.00 C ATOM 108 C ILE A 23 -9.482 9.528 -5.765 1.00 0.00 C ATOM 109 O ILE A 23 -8.611 9.653 -4.906 1.00 0.00 O ATOM 110 CB ILE A 23 -10.725 7.837 -4.410 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.511 6.523 -4.450 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.531 8.932 -3.723 1.00 0.00 C ATOM 113 CD1 ILE A 23 -12.942 6.679 -4.920 1.00 0.00 C ATOM 0 H ILE A 23 -8.886 6.758 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.235 8.479 -6.410 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.816 7.677 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.997 5.823 -5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.512 6.081 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.798 8.610 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.934 9.842 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.438 9.129 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.433 5.706 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.474 7.353 -4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.951 7.091 -5.929 1.00 0.00 H new ATOM 125 N GLU A 24 -9.757 10.469 -6.661 1.00 0.00 N ATOM 126 CA GLU A 24 -9.030 11.731 -6.683 1.00 0.00 C ATOM 127 C GLU A 24 -9.636 12.685 -5.664 1.00 0.00 C ATOM 128 O GLU A 24 -10.755 13.168 -5.840 1.00 0.00 O ATOM 129 CB GLU A 24 -9.081 12.355 -8.080 1.00 0.00 C ATOM 130 CG GLU A 24 -8.990 11.342 -9.209 1.00 0.00 C ATOM 131 CD GLU A 24 -10.347 10.962 -9.765 1.00 0.00 C ATOM 132 OE1 GLU A 24 -11.146 11.876 -10.059 1.00 0.00 O ATOM 133 OE2 GLU A 24 -10.614 9.750 -9.905 1.00 0.00 O ATOM 0 H GLU A 24 -10.476 10.382 -7.379 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.987 11.543 -6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.009 12.917 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.263 13.069 -8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.375 11.752 -10.011 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.486 10.446 -8.847 1.00 0.00 H new ATOM 140 N LYS A 25 -8.905 12.937 -4.586 1.00 0.00 N ATOM 141 CA LYS A 25 -9.389 13.815 -3.530 1.00 0.00 C ATOM 142 C LYS A 25 -8.333 14.837 -3.131 1.00 0.00 C ATOM 143 O LYS A 25 -7.292 14.955 -3.776 1.00 0.00 O ATOM 144 CB LYS A 25 -9.794 12.985 -2.312 1.00 0.00 C ATOM 145 CG LYS A 25 -8.645 12.186 -1.717 1.00 0.00 C ATOM 146 CD LYS A 25 -8.724 12.140 -0.200 1.00 0.00 C ATOM 147 CE LYS A 25 -7.340 12.201 0.429 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.447 11.127 -0.087 1.00 0.00 N ATOM 0 H LYS A 25 -7.977 12.547 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.256 14.356 -3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.200 13.648 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.593 12.301 -2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.663 11.171 -2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.697 12.630 -2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.326 12.974 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.227 11.225 0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.892 13.174 0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.429 12.110 1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.719 10.910 0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.008 10.273 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.990 11.448 -0.964 1.00 0.00 H new ATOM 162 N GLN A 26 -8.610 15.568 -2.057 1.00 0.00 N ATOM 163 CA GLN A 26 -7.684 16.575 -1.560 1.00 0.00 C ATOM 164 C GLN A 26 -7.050 16.106 -0.259 1.00 0.00 C ATOM 165 O GLN A 26 -7.606 15.265 0.446 1.00 0.00 O ATOM 166 CB GLN A 26 -8.410 17.904 -1.341 1.00 0.00 C ATOM 167 CG GLN A 26 -8.949 18.521 -2.621 1.00 0.00 C ATOM 168 CD GLN A 26 -10.411 18.195 -2.854 1.00 0.00 C ATOM 169 OE1 GLN A 26 -11.300 18.894 -2.369 1.00 0.00 O ATOM 170 NE2 GLN A 26 -10.668 17.128 -3.603 1.00 0.00 N ATOM 0 H GLN A 26 -9.469 15.481 -1.515 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.900 16.724 -2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.236 17.747 -0.647 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.726 18.609 -0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.824 19.603 -2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.362 18.165 -3.467 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.900 16.576 -3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.633 16.861 -3.796 1.00 0.00 H new ATOM 179 N LYS A 27 -5.883 16.649 0.054 1.00 0.00 N ATOM 180 CA LYS A 27 -5.177 16.277 1.274 1.00 0.00 C ATOM 181 C LYS A 27 -6.021 16.584 2.499 1.00 0.00 C ATOM 182 O LYS A 27 -6.891 17.455 2.468 1.00 0.00 O ATOM 183 CB LYS A 27 -3.835 17.008 1.362 1.00 0.00 C ATOM 184 CG LYS A 27 -3.141 17.165 0.019 1.00 0.00 C ATOM 185 CD LYS A 27 -1.638 16.981 0.139 1.00 0.00 C ATOM 186 CE LYS A 27 -1.099 16.103 -0.977 1.00 0.00 C ATOM 187 NZ LYS A 27 0.343 16.356 -1.239 1.00 0.00 N ATOM 0 H LYS A 27 -5.405 17.346 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.990 15.204 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.996 17.995 1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.178 16.464 2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.542 16.436 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.355 18.153 -0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.147 17.954 0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.400 16.533 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.241 15.055 -0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.670 16.283 -1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.670 15.736 -2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.477 17.350 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.892 16.159 -0.378 1.00 0.00 H new ATOM 201 N GLY A 28 -5.764 15.854 3.573 1.00 0.00 N ATOM 202 CA GLY A 28 -6.516 16.053 4.796 1.00 0.00 C ATOM 203 C GLY A 28 -7.943 15.550 4.686 1.00 0.00 C ATOM 204 O GLY A 28 -8.777 15.849 5.541 1.00 0.00 O ATOM 0 H GLY A 28 -5.049 15.128 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.014 15.538 5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.526 17.114 5.045 1.00 0.00 H new ATOM 208 N GLU A 29 -8.229 14.777 3.638 1.00 0.00 N ATOM 209 CA GLU A 29 -9.562 14.231 3.439 1.00 0.00 C ATOM 210 C GLU A 29 -9.500 12.719 3.304 1.00 0.00 C ATOM 211 O GLU A 29 -10.304 12.114 2.598 1.00 0.00 O ATOM 212 CB GLU A 29 -10.223 14.849 2.206 1.00 0.00 C ATOM 213 CG GLU A 29 -10.533 16.328 2.359 1.00 0.00 C ATOM 214 CD GLU A 29 -11.732 16.762 1.539 1.00 0.00 C ATOM 215 OE1 GLU A 29 -11.698 16.595 0.302 1.00 0.00 O ATOM 216 OE2 GLU A 29 -12.707 17.267 2.134 1.00 0.00 O ATOM 0 H GLU A 29 -7.554 14.518 2.918 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.166 14.479 4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.568 14.711 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.148 14.313 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.717 16.550 3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.662 16.911 2.058 1.00 0.00 H new ATOM 223 N ILE A 30 -8.532 12.134 4.009 1.00 0.00 N ATOM 224 CA ILE A 30 -8.302 10.681 4.030 1.00 0.00 C ATOM 225 C ILE A 30 -8.972 9.949 2.866 1.00 0.00 C ATOM 226 O ILE A 30 -8.328 9.622 1.870 1.00 0.00 O ATOM 227 CB ILE A 30 -8.774 10.048 5.359 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.921 10.846 5.978 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.618 9.943 6.340 1.00 0.00 C ATOM 230 CD1 ILE A 30 -11.044 9.970 6.475 1.00 0.00 C ATOM 0 H ILE A 30 -7.876 12.657 4.589 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.223 10.562 3.929 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.141 9.046 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.537 11.441 6.807 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.312 11.544 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.969 9.495 7.270 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.833 9.321 5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.222 10.938 6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.829 10.593 6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.451 9.394 5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.664 9.289 7.237 1.00 0.00 H new ATOM 242 N LEU A 31 -10.266 9.698 3.012 1.00 0.00 N ATOM 243 CA LEU A 31 -11.046 9.004 1.993 1.00 0.00 C ATOM 244 C LEU A 31 -12.482 8.823 2.467 1.00 0.00 C ATOM 245 O LEU A 31 -13.431 8.992 1.701 1.00 0.00 O ATOM 246 CB LEU A 31 -10.430 7.637 1.677 1.00 0.00 C ATOM 247 CG LEU A 31 -10.851 7.033 0.336 1.00 0.00 C ATOM 248 CD1 LEU A 31 -10.353 7.891 -0.815 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.329 5.610 0.208 1.00 0.00 C ATOM 0 H LEU A 31 -10.804 9.968 3.836 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.039 9.608 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.344 7.733 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.699 6.942 2.472 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.940 7.005 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.662 7.446 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.774 8.893 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.265 7.951 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.637 5.194 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.241 5.615 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.735 5.000 1.015 1.00 0.00 H new ATOM 261 N GLY A 32 -12.626 8.490 3.745 1.00 0.00 N ATOM 262 CA GLY A 32 -13.944 8.303 4.324 1.00 0.00 C ATOM 263 C GLY A 32 -14.510 6.909 4.119 1.00 0.00 C ATOM 264 O GLY A 32 -15.569 6.751 3.512 1.00 0.00 O ATOM 0 H GLY A 32 -11.851 8.346 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.894 8.512 5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.629 9.031 3.889 1.00 0.00 H new ATOM 268 N VAL A 33 -13.818 5.894 4.635 1.00 0.00 N ATOM 269 CA VAL A 33 -14.289 4.514 4.507 1.00 0.00 C ATOM 270 C VAL A 33 -13.827 3.656 5.680 1.00 0.00 C ATOM 271 O VAL A 33 -12.837 3.967 6.338 1.00 0.00 O ATOM 272 CB VAL A 33 -13.867 3.853 3.164 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.534 4.909 2.121 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.699 2.886 3.338 1.00 0.00 C ATOM 0 H VAL A 33 -12.938 5.998 5.141 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.378 4.569 4.515 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.720 3.272 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.242 4.422 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.409 5.534 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.712 5.529 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.441 2.450 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.838 3.423 3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.983 2.093 4.030 1.00 0.00 H new ATOM 284 N VAL A 34 -14.551 2.574 5.928 1.00 0.00 N ATOM 285 CA VAL A 34 -14.215 1.664 7.017 1.00 0.00 C ATOM 286 C VAL A 34 -14.022 0.244 6.505 1.00 0.00 C ATOM 287 O VAL A 34 -14.924 -0.343 5.907 1.00 0.00 O ATOM 288 CB VAL A 34 -15.296 1.662 8.107 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.829 0.879 9.324 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.667 3.087 8.489 1.00 0.00 C ATOM 0 H VAL A 34 -15.375 2.304 5.391 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.281 2.023 7.449 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.185 1.172 7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.609 0.890 10.085 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.618 -0.151 9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.925 1.336 9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.434 3.068 9.263 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.785 3.604 8.866 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.048 3.611 7.613 1.00 0.00 H new ATOM 300 N ILE A 35 -12.834 -0.297 6.740 1.00 0.00 N ATOM 301 CA ILE A 35 -12.501 -1.639 6.304 1.00 0.00 C ATOM 302 C ILE A 35 -12.340 -2.581 7.493 1.00 0.00 C ATOM 303 O ILE A 35 -11.934 -2.165 8.577 1.00 0.00 O ATOM 304 CB ILE A 35 -11.208 -1.642 5.482 1.00 0.00 C ATOM 305 CG1 ILE A 35 -10.108 -0.877 6.212 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.451 -1.051 4.101 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.750 -1.518 6.073 1.00 0.00 C ATOM 0 H ILE A 35 -12.081 0.181 7.235 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.325 -1.989 5.682 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.881 -2.674 5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.064 0.141 5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.363 -0.806 7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.521 -1.062 3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.203 -1.643 3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.803 -0.024 4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.011 -0.927 6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.780 -2.527 6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.476 -1.565 5.019 1.00 0.00 H new ATOM 319 N VAL A 36 -12.662 -3.852 7.279 1.00 0.00 N ATOM 320 CA VAL A 36 -12.552 -4.856 8.331 1.00 0.00 C ATOM 321 C VAL A 36 -11.947 -6.147 7.792 1.00 0.00 C ATOM 322 O VAL A 36 -11.820 -6.325 6.582 1.00 0.00 O ATOM 323 CB VAL A 36 -13.927 -5.167 8.952 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.504 -3.930 9.622 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.884 -5.703 7.897 1.00 0.00 C ATOM 0 H VAL A 36 -13.001 -4.211 6.387 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.899 -4.444 9.100 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.793 -5.936 9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.475 -4.170 10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.829 -3.594 10.409 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.622 -3.137 8.883 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.849 -5.916 8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.013 -4.959 7.111 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.476 -6.618 7.467 1.00 0.00 H new ATOM 335 N GLU A 37 -11.576 -7.047 8.697 1.00 0.00 N ATOM 336 CA GLU A 37 -10.986 -8.324 8.307 1.00 0.00 C ATOM 337 C GLU A 37 -11.933 -9.099 7.393 1.00 0.00 C ATOM 338 O GLU A 37 -13.118 -9.248 7.691 1.00 0.00 O ATOM 339 CB GLU A 37 -10.648 -9.155 9.546 1.00 0.00 C ATOM 340 CG GLU A 37 -9.154 -9.314 9.781 1.00 0.00 C ATOM 341 CD GLU A 37 -8.801 -9.403 11.252 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.280 -8.552 12.030 1.00 0.00 O ATOM 343 OE2 GLU A 37 -8.045 -10.324 11.626 1.00 0.00 O ATOM 0 H GLU A 37 -11.673 -6.917 9.704 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.066 -8.123 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.098 -8.687 10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.099 -10.142 9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.804 -10.212 9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.628 -8.470 9.336 1.00 0.00 H new ATOM 350 N SER A 38 -11.400 -9.582 6.276 1.00 0.00 N ATOM 351 CA SER A 38 -12.194 -10.334 5.312 1.00 0.00 C ATOM 352 C SER A 38 -12.559 -11.717 5.844 1.00 0.00 C ATOM 353 O SER A 38 -11.894 -12.709 5.540 1.00 0.00 O ATOM 354 CB SER A 38 -11.432 -10.462 3.992 1.00 0.00 C ATOM 355 OG SER A 38 -10.397 -11.424 4.090 1.00 0.00 O ATOM 0 H SER A 38 -10.421 -9.466 6.016 1.00 0.00 H new ATOM 0 HA SER A 38 -13.121 -9.787 5.143 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.122 -10.745 3.197 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.009 -9.496 3.718 1.00 0.00 H new ATOM 0 HG SER A 38 -10.783 -12.300 4.301 1.00 0.00 H new ATOM 361 N GLY A 39 -13.624 -11.777 6.638 1.00 0.00 N ATOM 362 CA GLY A 39 -14.067 -13.043 7.195 1.00 0.00 C ATOM 363 C GLY A 39 -14.960 -13.821 6.245 1.00 0.00 C ATOM 364 O GLY A 39 -15.338 -14.958 6.527 1.00 0.00 O ATOM 0 H GLY A 39 -14.189 -10.971 6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.197 -13.649 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.606 -12.858 8.124 1.00 0.00 H new ATOM 368 N TRP A 40 -15.296 -13.205 5.114 1.00 0.00 N ATOM 369 CA TRP A 40 -16.143 -13.834 4.107 1.00 0.00 C ATOM 370 C TRP A 40 -15.554 -15.172 3.655 1.00 0.00 C ATOM 371 O TRP A 40 -14.692 -15.741 4.327 1.00 0.00 O ATOM 372 CB TRP A 40 -16.292 -12.895 2.907 1.00 0.00 C ATOM 373 CG TRP A 40 -14.999 -12.639 2.193 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.746 -12.654 2.739 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.826 -12.330 0.806 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.808 -12.377 1.776 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.446 -12.173 0.584 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.703 -12.171 -0.271 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.922 -11.868 -0.667 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -15.182 -11.866 -1.515 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.802 -11.718 -1.705 1.00 0.00 C ATOM 0 H TRP A 40 -14.991 -12.262 4.872 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.122 -14.026 4.545 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.008 -13.323 2.206 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.706 -11.946 3.246 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.526 -12.855 3.777 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.800 -12.331 1.925 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.768 -12.284 -0.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.858 -11.753 -0.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.850 -11.740 -2.354 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.425 -11.481 -2.689 1.00 0.00 H new ATOM 392 N GLY A 41 -16.015 -15.670 2.510 1.00 0.00 N ATOM 393 CA GLY A 41 -15.514 -16.931 1.988 1.00 0.00 C ATOM 394 C GLY A 41 -13.998 -16.961 1.877 1.00 0.00 C ATOM 395 O GLY A 41 -13.407 -18.036 1.790 1.00 0.00 O ATOM 0 H GLY A 41 -16.727 -15.222 1.934 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.843 -17.744 2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.950 -17.111 1.005 1.00 0.00 H new ATOM 399 N SER A 42 -13.382 -15.772 1.881 1.00 0.00 N ATOM 400 CA SER A 42 -11.925 -15.611 1.785 1.00 0.00 C ATOM 401 C SER A 42 -11.525 -15.077 0.428 1.00 0.00 C ATOM 402 O SER A 42 -11.367 -13.873 0.261 1.00 0.00 O ATOM 403 CB SER A 42 -11.164 -16.906 2.092 1.00 0.00 C ATOM 404 OG SER A 42 -11.572 -17.458 3.332 1.00 0.00 O ATOM 0 H SER A 42 -13.885 -14.887 1.952 1.00 0.00 H new ATOM 0 HA SER A 42 -11.646 -14.885 2.548 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.335 -17.629 1.295 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.093 -16.705 2.115 1.00 0.00 H new ATOM 0 HG SER A 42 -12.283 -18.115 3.180 1.00 0.00 H new ATOM 410 N ILE A 43 -11.381 -15.967 -0.538 1.00 0.00 N ATOM 411 CA ILE A 43 -11.018 -15.582 -1.881 1.00 0.00 C ATOM 412 C ILE A 43 -9.694 -14.822 -1.904 1.00 0.00 C ATOM 413 O ILE A 43 -8.694 -15.295 -2.441 1.00 0.00 O ATOM 414 CB ILE A 43 -12.136 -14.724 -2.457 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.408 -15.556 -2.545 1.00 0.00 C ATOM 416 CG2 ILE A 43 -11.752 -14.152 -3.804 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.602 -14.775 -3.028 1.00 0.00 C ATOM 0 H ILE A 43 -11.513 -16.970 -0.410 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.884 -16.478 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.313 -13.875 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.237 -16.397 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.629 -15.973 -1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.571 -13.544 -4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.861 -13.533 -3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.546 -14.966 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.473 -15.429 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.798 -13.950 -2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.400 -14.380 -4.024 1.00 0.00 H new ATOM 429 N LEU A 44 -9.710 -13.652 -1.294 1.00 0.00 N ATOM 430 CA LEU A 44 -8.535 -12.798 -1.201 1.00 0.00 C ATOM 431 C LEU A 44 -8.448 -12.188 0.197 1.00 0.00 C ATOM 432 O LEU A 44 -8.869 -11.053 0.412 1.00 0.00 O ATOM 433 CB LEU A 44 -8.589 -11.686 -2.250 1.00 0.00 C ATOM 434 CG LEU A 44 -8.883 -12.145 -3.682 1.00 0.00 C ATOM 435 CD1 LEU A 44 -9.856 -11.192 -4.357 1.00 0.00 C ATOM 436 CD2 LEU A 44 -7.594 -12.250 -4.482 1.00 0.00 C ATOM 0 H LEU A 44 -10.540 -13.263 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.650 -13.406 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.353 -10.967 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.635 -11.158 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.343 -13.132 -3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.054 -11.533 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.789 -11.167 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.424 -10.192 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.821 -12.577 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.106 -11.276 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.929 -12.972 -4.008 1.00 0.00 H new ATOM 448 N PRO A 45 -7.917 -12.944 1.171 1.00 0.00 N ATOM 449 CA PRO A 45 -7.795 -12.478 2.557 1.00 0.00 C ATOM 450 C PRO A 45 -7.135 -11.107 2.671 1.00 0.00 C ATOM 451 O PRO A 45 -5.909 -11.004 2.726 1.00 0.00 O ATOM 452 CB PRO A 45 -6.919 -13.546 3.212 1.00 0.00 C ATOM 453 CG PRO A 45 -7.168 -14.779 2.415 1.00 0.00 C ATOM 454 CD PRO A 45 -7.408 -14.319 1.003 1.00 0.00 C ATOM 0 HA PRO A 45 -8.772 -12.353 3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.866 -13.264 3.188 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.186 -13.690 4.259 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.314 -15.455 2.465 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.030 -15.325 2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.492 -14.339 0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.130 -14.955 0.491 1.00 0.00 H new ATOM 462 N THR A 46 -7.951 -10.055 2.717 1.00 0.00 N ATOM 463 CA THR A 46 -7.431 -8.694 2.834 1.00 0.00 C ATOM 464 C THR A 46 -8.285 -7.852 3.789 1.00 0.00 C ATOM 465 O THR A 46 -7.991 -7.769 4.981 1.00 0.00 O ATOM 466 CB THR A 46 -7.334 -8.030 1.457 1.00 0.00 C ATOM 467 OG1 THR A 46 -7.327 -6.615 1.581 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.457 -8.421 0.516 1.00 0.00 C ATOM 0 H THR A 46 -8.968 -10.118 2.675 1.00 0.00 H new ATOM 0 HA THR A 46 -6.427 -8.755 3.255 1.00 0.00 H new ATOM 0 HB THR A 46 -6.398 -8.387 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.495 -6.209 0.705 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.324 -7.914 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.442 -9.500 0.359 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.414 -8.131 0.951 1.00 0.00 H new ATOM 476 N VAL A 47 -9.343 -7.227 3.264 1.00 0.00 N ATOM 477 CA VAL A 47 -10.226 -6.397 4.082 1.00 0.00 C ATOM 478 C VAL A 47 -11.579 -6.201 3.403 1.00 0.00 C ATOM 479 O VAL A 47 -11.743 -6.522 2.227 1.00 0.00 O ATOM 480 CB VAL A 47 -9.611 -5.013 4.378 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.791 -5.053 5.658 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.768 -4.528 3.208 1.00 0.00 C ATOM 0 H VAL A 47 -9.606 -7.281 2.280 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.361 -6.928 5.024 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.427 -4.304 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.366 -4.068 5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.432 -5.339 6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.986 -5.781 5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.347 -3.551 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.960 -5.236 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.392 -4.449 2.318 1.00 0.00 H new ATOM 492 N ILE A 48 -12.548 -5.681 4.155 1.00 0.00 N ATOM 493 CA ILE A 48 -13.889 -5.455 3.618 1.00 0.00 C ATOM 494 C ILE A 48 -14.438 -4.087 4.005 1.00 0.00 C ATOM 495 O ILE A 48 -14.507 -3.753 5.187 1.00 0.00 O ATOM 496 CB ILE A 48 -14.899 -6.517 4.114 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.209 -7.616 4.917 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.655 -7.117 2.947 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.181 -8.603 5.527 1.00 0.00 C ATOM 0 H ILE A 48 -12.431 -5.410 5.131 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.779 -5.520 2.536 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.606 -6.015 4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.516 -8.151 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.616 -7.161 5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.361 -7.862 3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.198 -6.331 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.951 -7.591 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.629 -9.359 6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.859 -8.078 6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.756 -9.084 4.736 1.00 0.00 H new ATOM 511 N ILE A 49 -14.877 -3.319 3.011 1.00 0.00 N ATOM 512 CA ILE A 49 -15.466 -2.025 3.269 1.00 0.00 C ATOM 513 C ILE A 49 -16.767 -2.222 4.016 1.00 0.00 C ATOM 514 O ILE A 49 -17.825 -2.420 3.420 1.00 0.00 O ATOM 515 CB ILE A 49 -15.716 -1.267 1.960 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.405 -1.119 1.197 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.333 0.091 2.239 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.562 -0.427 -0.133 1.00 0.00 C ATOM 0 H ILE A 49 -14.833 -3.577 2.025 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.778 -1.431 3.871 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.418 -1.834 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.698 -0.558 1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.973 -2.107 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.503 0.614 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.283 -0.040 2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.657 0.677 2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.591 -0.355 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.244 -0.999 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.965 0.574 0.023 1.00 0.00 H new ATOM 530 N ALA A 50 -16.662 -2.210 5.329 1.00 0.00 N ATOM 531 CA ALA A 50 -17.800 -2.428 6.195 1.00 0.00 C ATOM 532 C ALA A 50 -18.549 -1.137 6.502 1.00 0.00 C ATOM 533 O ALA A 50 -19.632 -1.168 7.086 1.00 0.00 O ATOM 534 CB ALA A 50 -17.322 -3.094 7.469 1.00 0.00 C ATOM 0 H ALA A 50 -15.785 -2.049 5.825 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.509 -3.076 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.171 -3.264 8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.854 -4.048 7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.597 -2.450 7.967 1.00 0.00 H new ATOM 540 N ASN A 51 -17.980 -0.004 6.106 1.00 0.00 N ATOM 541 CA ASN A 51 -18.625 1.279 6.349 1.00 0.00 C ATOM 542 C ASN A 51 -18.019 2.377 5.482 1.00 0.00 C ATOM 543 O ASN A 51 -16.921 2.230 4.949 1.00 0.00 O ATOM 544 CB ASN A 51 -18.519 1.655 7.828 1.00 0.00 C ATOM 545 CG ASN A 51 -19.876 1.774 8.496 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.896 1.948 7.829 1.00 0.00 O ATOM 547 ND2 ASN A 51 -19.892 1.682 9.820 1.00 0.00 N ATOM 0 H ASN A 51 -17.084 0.052 5.621 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.677 1.181 6.081 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.926 0.903 8.349 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.987 2.602 7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.775 1.756 10.326 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.022 1.538 10.332 1.00 0.00 H new ATOM 554 N MET A 52 -18.753 3.477 5.345 1.00 0.00 N ATOM 555 CA MET A 52 -18.300 4.605 4.542 1.00 0.00 C ATOM 556 C MET A 52 -18.930 5.904 5.032 1.00 0.00 C ATOM 557 O MET A 52 -20.132 5.965 5.290 1.00 0.00 O ATOM 558 CB MET A 52 -18.645 4.378 3.069 1.00 0.00 C ATOM 559 CG MET A 52 -17.890 5.287 2.116 1.00 0.00 C ATOM 560 SD MET A 52 -18.578 5.272 0.448 1.00 0.00 S ATOM 561 CE MET A 52 -19.049 3.551 0.285 1.00 0.00 C ATOM 0 H MET A 52 -19.665 3.610 5.781 1.00 0.00 H new ATOM 0 HA MET A 52 -17.218 4.685 4.645 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.433 3.340 2.811 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.715 4.529 2.929 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.907 6.306 2.502 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.845 4.978 2.077 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.204 3.314 -0.768 1.00 0.00 H new ATOM 0 HE2 MET A 52 -18.258 2.918 0.687 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.972 3.373 0.837 1.00 0.00 H new ATOM 571 N MET A 53 -18.107 6.941 5.162 1.00 0.00 N ATOM 572 CA MET A 53 -18.580 8.242 5.625 1.00 0.00 C ATOM 573 C MET A 53 -19.799 8.703 4.829 1.00 0.00 C ATOM 574 O MET A 53 -20.616 9.480 5.322 1.00 0.00 O ATOM 575 CB MET A 53 -17.462 9.282 5.515 1.00 0.00 C ATOM 576 CG MET A 53 -16.539 9.313 6.722 1.00 0.00 C ATOM 577 SD MET A 53 -15.738 10.913 6.942 1.00 0.00 S ATOM 578 CE MET A 53 -14.012 10.442 6.869 1.00 0.00 C ATOM 0 H MET A 53 -17.109 6.906 4.953 1.00 0.00 H new ATOM 0 HA MET A 53 -18.874 8.139 6.670 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.872 9.076 4.622 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.906 10.268 5.383 1.00 0.00 H new ATOM 0 HG2 MET A 53 -17.111 9.071 7.618 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.777 8.542 6.612 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.430 11.092 7.522 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.903 9.408 7.195 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.651 10.540 5.845 1.00 0.00 H new ATOM 588 N HIS A 54 -19.915 8.220 3.595 1.00 0.00 N ATOM 589 CA HIS A 54 -21.035 8.586 2.735 1.00 0.00 C ATOM 590 C HIS A 54 -21.099 10.099 2.548 1.00 0.00 C ATOM 591 O HIS A 54 -22.115 10.731 2.837 1.00 0.00 O ATOM 592 CB HIS A 54 -22.350 8.069 3.324 1.00 0.00 C ATOM 593 CG HIS A 54 -22.773 6.745 2.770 1.00 0.00 C ATOM 594 ND1 HIS A 54 -22.182 5.551 3.132 1.00 0.00 N ATOM 595 CD2 HIS A 54 -23.738 6.427 1.874 1.00 0.00 C ATOM 596 CE1 HIS A 54 -22.763 4.560 2.482 1.00 0.00 C ATOM 597 NE2 HIS A 54 -23.710 5.063 1.713 1.00 0.00 N ATOM 0 H HIS A 54 -19.248 7.576 3.169 1.00 0.00 H new ATOM 0 HA HIS A 54 -20.882 8.124 1.759 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.246 7.985 4.406 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.136 8.801 3.135 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -21.416 5.450 3.798 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -24.405 7.117 1.379 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.507 3.514 2.565 1.00 0.00 H new ATOM 606 N GLY A 55 -20.004 10.672 2.064 1.00 0.00 N ATOM 607 CA GLY A 55 -19.948 12.105 1.846 1.00 0.00 C ATOM 608 C GLY A 55 -18.586 12.554 1.368 1.00 0.00 C ATOM 609 O GLY A 55 -18.475 13.465 0.547 1.00 0.00 O ATOM 0 H GLY A 55 -19.152 10.169 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.702 12.389 1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.195 12.622 2.773 1.00 0.00 H new ATOM 613 N GLY A 56 -17.543 11.906 1.877 1.00 0.00 N ATOM 614 CA GLY A 56 -16.192 12.250 1.479 1.00 0.00 C ATOM 615 C GLY A 56 -15.931 11.923 0.023 1.00 0.00 C ATOM 616 O GLY A 56 -16.872 11.768 -0.756 1.00 0.00 O ATOM 0 H GLY A 56 -17.610 11.149 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.024 13.314 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.481 11.711 2.105 1.00 0.00 H new ATOM 620 N PRO A 57 -14.656 11.804 -0.382 1.00 0.00 N ATOM 621 CA PRO A 57 -14.298 11.484 -1.766 1.00 0.00 C ATOM 622 C PRO A 57 -14.673 10.053 -2.143 1.00 0.00 C ATOM 623 O PRO A 57 -14.837 9.735 -3.320 1.00 0.00 O ATOM 624 CB PRO A 57 -12.781 11.665 -1.792 1.00 0.00 C ATOM 625 CG PRO A 57 -12.351 11.441 -0.384 1.00 0.00 C ATOM 626 CD PRO A 57 -13.468 11.964 0.476 1.00 0.00 C ATOM 0 HA PRO A 57 -14.826 12.115 -2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.309 10.953 -2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.507 12.662 -2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.174 10.383 -0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.418 11.963 -0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.561 11.398 1.403 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.309 13.006 0.753 1.00 0.00 H new ATOM 634 N ALA A 58 -14.806 9.194 -1.136 1.00 0.00 N ATOM 635 CA ALA A 58 -15.160 7.803 -1.363 1.00 0.00 C ATOM 636 C ALA A 58 -16.544 7.691 -1.988 1.00 0.00 C ATOM 637 O ALA A 58 -16.737 6.989 -2.980 1.00 0.00 O ATOM 638 CB ALA A 58 -15.102 7.021 -0.059 1.00 0.00 C ATOM 0 H ALA A 58 -14.673 9.441 -0.155 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.437 7.377 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.370 5.981 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.092 7.068 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.802 7.453 0.656 1.00 0.00 H new ATOM 644 N GLU A 59 -17.503 8.396 -1.400 1.00 0.00 N ATOM 645 CA GLU A 59 -18.874 8.388 -1.893 1.00 0.00 C ATOM 646 C GLU A 59 -19.005 9.266 -3.133 1.00 0.00 C ATOM 647 O GLU A 59 -19.726 8.931 -4.074 1.00 0.00 O ATOM 648 CB GLU A 59 -19.828 8.879 -0.803 1.00 0.00 C ATOM 649 CG GLU A 59 -21.266 8.428 -1.001 1.00 0.00 C ATOM 650 CD GLU A 59 -22.093 9.441 -1.770 1.00 0.00 C ATOM 651 OE1 GLU A 59 -21.870 9.585 -2.990 1.00 0.00 O ATOM 652 OE2 GLU A 59 -22.963 10.088 -1.151 1.00 0.00 O ATOM 0 H GLU A 59 -17.355 8.982 -0.578 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.136 7.365 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.475 8.522 0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -19.799 9.968 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.275 7.477 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.725 8.252 -0.028 1.00 0.00 H new ATOM 659 N LYS A 60 -18.305 10.396 -3.123 1.00 0.00 N ATOM 660 CA LYS A 60 -18.339 11.331 -4.238 1.00 0.00 C ATOM 661 C LYS A 60 -17.870 10.668 -5.530 1.00 0.00 C ATOM 662 O LYS A 60 -18.304 11.039 -6.622 1.00 0.00 O ATOM 663 CB LYS A 60 -17.463 12.548 -3.934 1.00 0.00 C ATOM 664 CG LYS A 60 -18.187 13.641 -3.164 1.00 0.00 C ATOM 665 CD LYS A 60 -17.397 14.939 -3.167 1.00 0.00 C ATOM 666 CE LYS A 60 -16.645 15.138 -1.861 1.00 0.00 C ATOM 667 NZ LYS A 60 -16.657 16.561 -1.423 1.00 0.00 N ATOM 0 H LYS A 60 -17.705 10.686 -2.350 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.372 11.653 -4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.594 12.226 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.091 12.961 -4.872 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.169 13.810 -3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.352 13.316 -2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.691 14.934 -3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -18.074 15.778 -3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.093 14.516 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.614 14.804 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.134 16.653 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.207 17.152 -2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.639 16.873 -1.283 1.00 0.00 H new ATOM 681 N SER A 61 -16.981 9.690 -5.402 1.00 0.00 N ATOM 682 CA SER A 61 -16.453 8.981 -6.558 1.00 0.00 C ATOM 683 C SER A 61 -17.500 8.037 -7.139 1.00 0.00 C ATOM 684 O SER A 61 -18.003 8.254 -8.241 1.00 0.00 O ATOM 685 CB SER A 61 -15.198 8.199 -6.166 1.00 0.00 C ATOM 686 OG SER A 61 -14.037 8.778 -6.738 1.00 0.00 O ATOM 0 H SER A 61 -16.611 9.371 -4.507 1.00 0.00 H new ATOM 0 HA SER A 61 -16.192 9.714 -7.321 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.102 8.180 -5.080 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.293 7.164 -6.496 1.00 0.00 H new ATOM 0 HG SER A 61 -13.670 9.448 -6.125 1.00 0.00 H new ATOM 692 N GLY A 62 -17.825 6.990 -6.388 1.00 0.00 N ATOM 693 CA GLY A 62 -18.810 6.029 -6.844 1.00 0.00 C ATOM 694 C GLY A 62 -18.214 4.655 -7.068 1.00 0.00 C ATOM 695 O GLY A 62 -18.881 3.639 -6.865 1.00 0.00 O ATOM 0 H GLY A 62 -17.423 6.790 -5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.612 5.959 -6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.258 6.384 -7.772 1.00 0.00 H new ATOM 699 N LYS A 63 -16.954 4.620 -7.488 1.00 0.00 N ATOM 700 CA LYS A 63 -16.273 3.350 -7.737 1.00 0.00 C ATOM 701 C LYS A 63 -16.203 2.510 -6.467 1.00 0.00 C ATOM 702 O LYS A 63 -16.148 1.282 -6.528 1.00 0.00 O ATOM 703 CB LYS A 63 -14.861 3.553 -8.302 1.00 0.00 C ATOM 704 CG LYS A 63 -14.191 4.856 -7.900 1.00 0.00 C ATOM 705 CD LYS A 63 -13.947 5.740 -9.111 1.00 0.00 C ATOM 706 CE LYS A 63 -15.082 6.729 -9.324 1.00 0.00 C ATOM 707 NZ LYS A 63 -14.902 7.520 -10.573 1.00 0.00 N ATOM 0 H LYS A 63 -16.385 5.448 -7.663 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.863 2.820 -8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.233 2.723 -7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.911 3.508 -9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.817 5.384 -7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.244 4.644 -7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.011 6.283 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.835 5.118 -9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.029 6.191 -9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.139 7.405 -8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.696 8.182 -10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.011 8.054 -10.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.873 6.877 -11.390 1.00 0.00 H new ATOM 721 N LEU A 64 -16.210 3.176 -5.317 1.00 0.00 N ATOM 722 CA LEU A 64 -16.148 2.483 -4.035 1.00 0.00 C ATOM 723 C LEU A 64 -17.539 2.329 -3.431 1.00 0.00 C ATOM 724 O LEU A 64 -18.273 3.306 -3.278 1.00 0.00 O ATOM 725 CB LEU A 64 -15.237 3.234 -3.064 1.00 0.00 C ATOM 726 CG LEU A 64 -13.740 3.049 -3.310 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.929 3.750 -2.233 1.00 0.00 C ATOM 728 CD2 LEU A 64 -13.387 1.569 -3.367 1.00 0.00 C ATOM 0 H LEU A 64 -16.258 4.192 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.736 1.489 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.470 4.297 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.466 2.909 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.493 3.499 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.866 3.606 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.158 4.816 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.180 3.332 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.317 1.457 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.651 1.095 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.940 1.094 -4.178 1.00 0.00 H new ATOM 740 N ASN A 65 -17.892 1.098 -3.088 1.00 0.00 N ATOM 741 CA ASN A 65 -19.193 0.809 -2.497 1.00 0.00 C ATOM 742 C ASN A 65 -19.076 -0.295 -1.453 1.00 0.00 C ATOM 743 O ASN A 65 -18.384 -1.290 -1.666 1.00 0.00 O ATOM 744 CB ASN A 65 -20.190 0.400 -3.582 1.00 0.00 C ATOM 745 CG ASN A 65 -20.544 1.551 -4.506 1.00 0.00 C ATOM 746 OD1 ASN A 65 -21.169 2.527 -4.090 1.00 0.00 O ATOM 747 ND2 ASN A 65 -20.144 1.440 -5.767 1.00 0.00 N ATOM 0 H ASN A 65 -17.294 0.280 -3.209 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.554 1.713 -2.007 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.770 -0.417 -4.168 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -21.098 0.022 -3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -20.352 2.182 -6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.628 0.613 -6.068 1.00 0.00 H new ATOM 754 N ILE A 66 -19.752 -0.111 -0.322 1.00 0.00 N ATOM 755 CA ILE A 66 -19.720 -1.087 0.757 1.00 0.00 C ATOM 756 C ILE A 66 -19.912 -2.511 0.243 1.00 0.00 C ATOM 757 O ILE A 66 -20.636 -2.746 -0.725 1.00 0.00 O ATOM 758 CB ILE A 66 -20.787 -0.753 1.807 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.403 0.555 2.488 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.934 -1.876 2.828 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.191 0.433 3.380 1.00 0.00 C ATOM 0 H ILE A 66 -20.329 0.708 -0.131 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.733 -1.035 1.217 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.754 -0.644 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.210 1.310 1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.247 0.909 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.698 -1.607 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.226 -2.795 2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.983 -2.030 3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -18.974 1.400 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.388 -0.298 4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.335 0.109 2.788 1.00 0.00 H new ATOM 773 N GLY A 67 -19.246 -3.456 0.897 1.00 0.00 N ATOM 774 CA GLY A 67 -19.338 -4.848 0.498 1.00 0.00 C ATOM 775 C GLY A 67 -18.264 -5.236 -0.502 1.00 0.00 C ATOM 776 O GLY A 67 -18.349 -6.291 -1.131 1.00 0.00 O ATOM 0 H GLY A 67 -18.641 -3.282 1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.255 -5.482 1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.320 -5.034 0.063 1.00 0.00 H new ATOM 780 N ASP A 68 -17.250 -4.386 -0.647 1.00 0.00 N ATOM 781 CA ASP A 68 -16.156 -4.651 -1.573 1.00 0.00 C ATOM 782 C ASP A 68 -14.910 -5.113 -0.825 1.00 0.00 C ATOM 783 O ASP A 68 -14.802 -4.931 0.387 1.00 0.00 O ATOM 784 CB ASP A 68 -15.838 -3.402 -2.393 1.00 0.00 C ATOM 785 CG ASP A 68 -16.988 -2.990 -3.293 1.00 0.00 C ATOM 786 OD1 ASP A 68 -17.910 -3.807 -3.492 1.00 0.00 O ATOM 787 OD2 ASP A 68 -16.965 -1.848 -3.800 1.00 0.00 O ATOM 0 H ASP A 68 -17.165 -3.508 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.470 -5.448 -2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.596 -2.580 -1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.953 -3.586 -3.001 1.00 0.00 H new ATOM 792 N GLN A 69 -13.974 -5.712 -1.553 1.00 0.00 N ATOM 793 CA GLN A 69 -12.737 -6.199 -0.953 1.00 0.00 C ATOM 794 C GLN A 69 -11.521 -5.545 -1.604 1.00 0.00 C ATOM 795 O GLN A 69 -11.160 -5.871 -2.734 1.00 0.00 O ATOM 796 CB GLN A 69 -12.646 -7.719 -1.089 1.00 0.00 C ATOM 797 CG GLN A 69 -13.409 -8.474 -0.012 1.00 0.00 C ATOM 798 CD GLN A 69 -12.503 -9.014 1.076 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.744 -8.799 2.264 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.452 -9.721 0.675 1.00 0.00 N ATOM 0 H GLN A 69 -14.048 -5.872 -2.558 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.746 -5.934 0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.029 -8.011 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.598 -8.016 -1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.151 -7.812 0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.953 -9.300 -0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.290 -9.875 -0.320 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.807 -10.110 1.362 1.00 0.00 H new ATOM 809 N ILE A 70 -10.889 -4.625 -0.883 1.00 0.00 N ATOM 810 CA ILE A 70 -9.711 -3.930 -1.390 1.00 0.00 C ATOM 811 C ILE A 70 -8.472 -4.809 -1.269 1.00 0.00 C ATOM 812 O ILE A 70 -8.299 -5.508 -0.276 1.00 0.00 O ATOM 813 CB ILE A 70 -9.464 -2.610 -0.636 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.763 -1.802 -0.530 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.379 -1.799 -1.330 1.00 0.00 C ATOM 816 CD1 ILE A 70 -11.006 -1.237 0.853 1.00 0.00 C ATOM 0 H ILE A 70 -11.173 -4.343 0.055 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.901 -3.705 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.125 -2.843 0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.733 -0.983 -1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.603 -2.439 -0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.216 -0.869 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.453 -2.374 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.690 -1.573 -2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.941 -0.677 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.068 -2.053 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.185 -0.574 1.125 1.00 0.00 H new ATOM 828 N MET A 71 -7.616 -4.780 -2.286 1.00 0.00 N ATOM 829 CA MET A 71 -6.404 -5.592 -2.278 1.00 0.00 C ATOM 830 C MET A 71 -5.162 -4.757 -1.987 1.00 0.00 C ATOM 831 O MET A 71 -4.539 -4.903 -0.936 1.00 0.00 O ATOM 832 CB MET A 71 -6.237 -6.311 -3.618 1.00 0.00 C ATOM 833 CG MET A 71 -7.405 -7.214 -3.970 1.00 0.00 C ATOM 834 SD MET A 71 -7.600 -8.579 -2.810 1.00 0.00 S ATOM 835 CE MET A 71 -9.361 -8.510 -2.503 1.00 0.00 C ATOM 0 H MET A 71 -7.738 -4.207 -3.121 1.00 0.00 H new ATOM 0 HA MET A 71 -6.512 -6.326 -1.479 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.111 -5.569 -4.406 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.324 -6.905 -3.591 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.322 -6.625 -3.989 1.00 0.00 H new ATOM 0 HG3 MET A 71 -7.261 -7.613 -4.974 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.639 -9.296 -1.801 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.619 -7.539 -2.081 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.900 -8.653 -3.440 1.00 0.00 H new ATOM 845 N SER A 72 -4.794 -3.894 -2.927 1.00 0.00 N ATOM 846 CA SER A 72 -3.610 -3.056 -2.763 1.00 0.00 C ATOM 847 C SER A 72 -3.946 -1.577 -2.907 1.00 0.00 C ATOM 848 O SER A 72 -4.750 -1.189 -3.756 1.00 0.00 O ATOM 849 CB SER A 72 -2.542 -3.448 -3.785 1.00 0.00 C ATOM 850 OG SER A 72 -1.537 -2.453 -3.882 1.00 0.00 O ATOM 0 H SER A 72 -5.294 -3.756 -3.805 1.00 0.00 H new ATOM 0 HA SER A 72 -3.226 -3.218 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.091 -4.398 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.005 -3.597 -4.760 1.00 0.00 H new ATOM 0 HG SER A 72 -0.866 -2.729 -4.541 1.00 0.00 H new ATOM 856 N ILE A 73 -3.317 -0.756 -2.073 1.00 0.00 N ATOM 857 CA ILE A 73 -3.535 0.680 -2.099 1.00 0.00 C ATOM 858 C ILE A 73 -2.244 1.416 -2.449 1.00 0.00 C ATOM 859 O ILE A 73 -1.306 1.457 -1.653 1.00 0.00 O ATOM 860 CB ILE A 73 -4.060 1.181 -0.742 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.405 0.526 -0.420 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.190 2.695 -0.747 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.427 -0.175 0.919 1.00 0.00 C ATOM 0 H ILE A 73 -2.649 -1.066 -1.368 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.283 0.887 -2.865 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.345 0.903 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.184 1.288 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.647 -0.194 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.563 3.031 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.215 3.143 -0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.886 2.998 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.410 -0.617 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.670 -0.959 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.216 0.545 1.710 1.00 0.00 H new ATOM 875 N ASN A 74 -2.206 1.991 -3.645 1.00 0.00 N ATOM 876 CA ASN A 74 -1.032 2.725 -4.104 1.00 0.00 C ATOM 877 C ASN A 74 0.205 1.830 -4.125 1.00 0.00 C ATOM 878 O ASN A 74 1.333 2.312 -4.016 1.00 0.00 O ATOM 879 CB ASN A 74 -0.782 3.938 -3.206 1.00 0.00 C ATOM 880 CG ASN A 74 -1.767 5.062 -3.463 1.00 0.00 C ATOM 881 OD1 ASN A 74 -1.669 5.774 -4.462 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.726 5.225 -2.558 1.00 0.00 N ATOM 0 H ASN A 74 -2.975 1.963 -4.315 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.225 3.065 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.848 3.633 -2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.232 4.303 -3.368 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.419 5.964 -2.677 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.769 4.611 -1.745 1.00 0.00 H new ATOM 889 N GLY A 75 -0.013 0.525 -4.269 1.00 0.00 N ATOM 890 CA GLY A 75 1.096 -0.411 -4.305 1.00 0.00 C ATOM 891 C GLY A 75 1.140 -1.313 -3.086 1.00 0.00 C ATOM 892 O GLY A 75 1.523 -2.479 -3.184 1.00 0.00 O ATOM 0 H GLY A 75 -0.936 0.101 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.020 -1.024 -5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.032 0.143 -4.376 1.00 0.00 H new ATOM 896 N THR A 76 0.751 -0.774 -1.935 1.00 0.00 N ATOM 897 CA THR A 76 0.752 -1.540 -0.694 1.00 0.00 C ATOM 898 C THR A 76 -0.302 -2.642 -0.733 1.00 0.00 C ATOM 899 O THR A 76 -1.501 -2.369 -0.696 1.00 0.00 O ATOM 900 CB THR A 76 0.499 -0.620 0.496 1.00 0.00 C ATOM 901 OG1 THR A 76 1.222 0.590 0.358 1.00 0.00 O ATOM 902 CG2 THR A 76 0.884 -1.238 1.822 1.00 0.00 C ATOM 0 H THR A 76 0.431 0.190 -1.836 1.00 0.00 H new ATOM 0 HA THR A 76 1.732 -2.004 -0.584 1.00 0.00 H new ATOM 0 HB THR A 76 -0.576 -0.438 0.497 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.045 1.167 1.130 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.679 -0.531 2.626 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.305 -2.147 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.947 -1.481 1.815 1.00 0.00 H new ATOM 910 N SER A 77 0.155 -3.889 -0.811 1.00 0.00 N ATOM 911 CA SER A 77 -0.748 -5.034 -0.858 1.00 0.00 C ATOM 912 C SER A 77 -1.363 -5.307 0.511 1.00 0.00 C ATOM 913 O SER A 77 -0.734 -5.079 1.545 1.00 0.00 O ATOM 914 CB SER A 77 -0.001 -6.276 -1.350 1.00 0.00 C ATOM 915 OG SER A 77 1.372 -6.216 -1.008 1.00 0.00 O ATOM 0 H SER A 77 1.145 -4.132 -0.843 1.00 0.00 H new ATOM 0 HA SER A 77 -1.553 -4.799 -1.554 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.448 -7.169 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.106 -6.362 -2.432 1.00 0.00 H new ATOM 0 HG SER A 77 1.825 -7.022 -1.332 1.00 0.00 H new ATOM 921 N LEU A 78 -2.600 -5.798 0.508 1.00 0.00 N ATOM 922 CA LEU A 78 -3.308 -6.103 1.748 1.00 0.00 C ATOM 923 C LEU A 78 -3.597 -7.599 1.867 1.00 0.00 C ATOM 924 O LEU A 78 -3.814 -8.113 2.963 1.00 0.00 O ATOM 925 CB LEU A 78 -4.621 -5.319 1.816 1.00 0.00 C ATOM 926 CG LEU A 78 -4.474 -3.800 1.732 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.835 -3.128 1.826 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.549 -3.294 2.830 1.00 0.00 C ATOM 0 H LEU A 78 -3.133 -5.993 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.666 -5.809 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.267 -5.651 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.127 -5.569 2.748 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.033 -3.547 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.712 -2.047 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.466 -3.469 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.304 -3.386 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.455 -2.211 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.962 -3.557 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.566 -3.752 2.718 1.00 0.00 H new ATOM 940 N VAL A 79 -3.607 -8.292 0.732 1.00 0.00 N ATOM 941 CA VAL A 79 -3.879 -9.725 0.714 1.00 0.00 C ATOM 942 C VAL A 79 -2.817 -10.503 1.484 1.00 0.00 C ATOM 943 O VAL A 79 -1.717 -10.732 0.980 1.00 0.00 O ATOM 944 CB VAL A 79 -3.943 -10.265 -0.726 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.494 -11.682 -0.742 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.782 -9.351 -1.605 1.00 0.00 C ATOM 0 H VAL A 79 -3.430 -7.885 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.847 -9.865 1.195 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.930 -10.288 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.532 -12.046 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.848 -12.330 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.498 -11.687 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.815 -9.750 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.795 -9.291 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.339 -8.355 -1.622 1.00 0.00 H new ATOM 956 N GLY A 80 -3.153 -10.921 2.702 1.00 0.00 N ATOM 957 CA GLY A 80 -2.212 -11.681 3.508 1.00 0.00 C ATOM 958 C GLY A 80 -1.982 -11.086 4.884 1.00 0.00 C ATOM 959 O GLY A 80 -1.701 -11.814 5.837 1.00 0.00 O ATOM 0 H GLY A 80 -4.056 -10.748 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.580 -12.701 3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.259 -11.741 2.982 1.00 0.00 H new ATOM 963 N LEU A 81 -2.090 -9.765 4.995 1.00 0.00 N ATOM 964 CA LEU A 81 -1.879 -9.094 6.275 1.00 0.00 C ATOM 965 C LEU A 81 -3.196 -8.889 7.020 1.00 0.00 C ATOM 966 O LEU A 81 -4.273 -8.914 6.422 1.00 0.00 O ATOM 967 CB LEU A 81 -1.181 -7.746 6.072 1.00 0.00 C ATOM 968 CG LEU A 81 -1.602 -6.970 4.823 1.00 0.00 C ATOM 969 CD1 LEU A 81 -1.505 -5.473 5.072 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.740 -7.373 3.636 1.00 0.00 C ATOM 0 H LEU A 81 -2.320 -9.142 4.221 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.240 -9.738 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.369 -7.123 6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.105 -7.916 6.028 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.640 -7.213 4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.808 -4.934 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.161 -5.198 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.477 -5.212 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.051 -6.813 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.305 -7.155 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.856 -8.440 3.448 1.00 0.00 H new ATOM 982 N PRO A 82 -3.121 -8.685 8.347 1.00 0.00 N ATOM 983 CA PRO A 82 -4.306 -8.475 9.192 1.00 0.00 C ATOM 984 C PRO A 82 -5.046 -7.186 8.850 1.00 0.00 C ATOM 985 O PRO A 82 -4.705 -6.501 7.887 1.00 0.00 O ATOM 986 CB PRO A 82 -3.725 -8.392 10.608 1.00 0.00 C ATOM 987 CG PRO A 82 -2.304 -7.988 10.411 1.00 0.00 C ATOM 988 CD PRO A 82 -1.875 -8.643 9.132 1.00 0.00 C ATOM 0 HA PRO A 82 -5.041 -9.269 9.061 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.263 -7.664 11.215 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.797 -9.350 11.122 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.209 -6.904 10.348 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.684 -8.314 11.246 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.098 -8.070 8.626 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.473 -9.641 9.305 1.00 0.00 H new ATOM 996 N LEU A 83 -6.062 -6.863 9.645 1.00 0.00 N ATOM 997 CA LEU A 83 -6.852 -5.657 9.429 1.00 0.00 C ATOM 998 C LEU A 83 -6.111 -4.422 9.930 1.00 0.00 C ATOM 999 O LEU A 83 -6.091 -3.387 9.263 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.208 -5.776 10.131 1.00 0.00 C ATOM 1001 CG LEU A 83 -8.998 -4.469 10.247 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.330 -3.921 8.868 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -10.265 -4.682 11.060 1.00 0.00 C ATOM 0 H LEU A 83 -6.357 -7.421 10.446 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.015 -5.548 8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.816 -6.503 9.592 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.047 -6.175 11.133 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.378 -3.737 10.765 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.891 -2.992 8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.407 -3.728 8.321 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.930 -4.649 8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.813 -3.743 11.132 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.889 -5.430 10.572 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.002 -5.026 12.060 1.00 0.00 H new ATOM 1015 N SER A 84 -5.503 -4.534 11.108 1.00 0.00 N ATOM 1016 CA SER A 84 -4.763 -3.421 11.694 1.00 0.00 C ATOM 1017 C SER A 84 -3.732 -2.887 10.708 1.00 0.00 C ATOM 1018 O SER A 84 -3.554 -1.676 10.565 1.00 0.00 O ATOM 1019 CB SER A 84 -4.073 -3.861 12.985 1.00 0.00 C ATOM 1020 OG SER A 84 -4.759 -4.948 13.585 1.00 0.00 O ATOM 0 H SER A 84 -5.508 -5.382 11.674 1.00 0.00 H new ATOM 0 HA SER A 84 -5.470 -2.624 11.926 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.044 -4.150 12.771 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.031 -3.024 13.682 1.00 0.00 H new ATOM 0 HG SER A 84 -4.297 -5.212 14.408 1.00 0.00 H new ATOM 1026 N THR A 85 -3.062 -3.802 10.020 1.00 0.00 N ATOM 1027 CA THR A 85 -2.057 -3.429 9.040 1.00 0.00 C ATOM 1028 C THR A 85 -2.691 -2.677 7.877 1.00 0.00 C ATOM 1029 O THR A 85 -2.227 -1.603 7.500 1.00 0.00 O ATOM 1030 CB THR A 85 -1.330 -4.667 8.527 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.753 -5.392 9.600 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.226 -4.349 7.542 1.00 0.00 C ATOM 0 H THR A 85 -3.198 -4.807 10.124 1.00 0.00 H new ATOM 0 HA THR A 85 -1.336 -2.772 9.526 1.00 0.00 H new ATOM 0 HB THR A 85 -2.091 -5.257 8.016 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.163 -6.089 9.244 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.250 -5.274 7.217 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.646 -3.834 6.678 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.515 -3.709 8.020 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.755 -3.250 7.312 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.455 -2.635 6.183 1.00 0.00 C ATOM 1042 C CYS A 86 -4.906 -1.217 6.516 1.00 0.00 C ATOM 1043 O CYS A 86 -4.539 -0.264 5.824 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.662 -3.484 5.783 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.249 -5.190 5.354 1.00 0.00 S ATOM 0 H CYS A 86 -4.151 -4.139 7.618 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.758 -2.583 5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.378 -3.490 6.605 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.157 -3.016 4.932 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.235 -5.917 6.432 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.696 -1.072 7.580 1.00 0.00 N ATOM 1052 CA GLN A 87 -6.174 0.245 7.985 1.00 0.00 C ATOM 1053 C GLN A 87 -5.004 1.215 8.067 1.00 0.00 C ATOM 1054 O GLN A 87 -5.111 2.372 7.663 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.901 0.171 9.328 1.00 0.00 C ATOM 1056 CG GLN A 87 -6.062 -0.419 10.447 1.00 0.00 C ATOM 1057 CD GLN A 87 -6.858 -0.625 11.720 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -6.501 -0.111 12.780 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -7.946 -1.380 11.619 1.00 0.00 N ATOM 0 H GLN A 87 -6.014 -1.841 8.169 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.882 0.603 7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.219 1.174 9.614 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.804 -0.428 9.209 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.648 -1.374 10.122 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -5.219 0.241 10.652 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.203 -1.786 10.719 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.524 -1.554 12.441 1.00 0.00 H new ATOM 1068 N SER A 88 -3.878 0.722 8.575 1.00 0.00 N ATOM 1069 CA SER A 88 -2.678 1.531 8.688 1.00 0.00 C ATOM 1070 C SER A 88 -2.215 1.984 7.305 1.00 0.00 C ATOM 1071 O SER A 88 -1.750 3.110 7.127 1.00 0.00 O ATOM 1072 CB SER A 88 -1.565 0.741 9.379 1.00 0.00 C ATOM 1073 OG SER A 88 -0.653 1.609 10.032 1.00 0.00 O ATOM 0 H SER A 88 -3.776 -0.235 8.914 1.00 0.00 H new ATOM 0 HA SER A 88 -2.909 2.410 9.290 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.999 0.053 10.104 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.034 0.136 8.644 1.00 0.00 H new ATOM 0 HG SER A 88 0.048 1.080 10.467 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.350 1.089 6.326 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.950 1.378 4.957 1.00 0.00 C ATOM 1081 C ILE A 89 -2.694 2.583 4.394 1.00 0.00 C ATOM 1082 O ILE A 89 -2.084 3.491 3.830 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.220 0.169 4.044 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.689 -1.112 4.683 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.597 0.383 2.677 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.225 -1.045 5.059 1.00 0.00 C ATOM 0 H ILE A 89 -2.736 0.155 6.461 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.883 1.598 4.982 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.298 0.068 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.274 -1.331 5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.839 -1.941 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.799 -0.482 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.024 1.274 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.520 0.511 2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.079 -1.991 5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.372 -0.858 4.166 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.070 -0.238 5.775 1.00 0.00 H new ATOM 1098 N ILE A 90 -4.015 2.578 4.532 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.834 3.660 4.020 1.00 0.00 C ATOM 1100 C ILE A 90 -4.626 4.950 4.807 1.00 0.00 C ATOM 1101 O ILE A 90 -4.388 6.007 4.223 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.320 3.283 4.050 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.536 1.898 3.432 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -7.122 4.327 3.306 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.976 1.438 3.471 1.00 0.00 C ATOM 0 H ILE A 90 -4.538 1.835 4.995 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.523 3.830 2.989 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.657 3.247 5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.196 1.914 2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.917 1.173 3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.178 4.058 3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.985 5.298 3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.782 4.378 2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.055 0.450 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.315 1.390 4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.598 2.142 2.918 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.716 4.868 6.130 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.532 6.047 6.968 1.00 0.00 C ATOM 1119 C LYS A 91 -3.155 6.662 6.741 1.00 0.00 C ATOM 1120 O LYS A 91 -2.938 7.845 7.005 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.723 5.702 8.443 1.00 0.00 C ATOM 1122 CG LYS A 91 -3.871 4.539 8.904 1.00 0.00 C ATOM 1123 CD LYS A 91 -2.615 5.012 9.621 1.00 0.00 C ATOM 1124 CE LYS A 91 -2.531 4.451 11.032 1.00 0.00 C ATOM 1125 NZ LYS A 91 -1.835 5.386 11.959 1.00 0.00 N ATOM 0 H LYS A 91 -4.913 4.007 6.641 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.288 6.780 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.486 6.578 9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.772 5.467 8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.453 3.903 9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.592 3.929 8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.735 4.707 9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.606 6.101 9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.536 4.251 11.404 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.003 3.498 11.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.798 4.968 12.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.867 5.557 11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.353 6.287 11.997 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.234 5.852 6.237 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.893 6.331 5.964 1.00 0.00 C ATOM 1141 C GLY A 92 -0.862 7.297 4.795 1.00 0.00 C ATOM 1142 O GLY A 92 -0.192 8.328 4.850 1.00 0.00 O ATOM 0 H GLY A 92 -2.392 4.870 6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.496 6.823 6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.241 5.483 5.751 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.601 6.965 3.739 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.667 7.814 2.555 1.00 0.00 C ATOM 1148 C LEU A 93 -2.829 8.794 2.663 1.00 0.00 C ATOM 1149 O LEU A 93 -3.663 8.893 1.763 1.00 0.00 O ATOM 1150 CB LEU A 93 -1.802 6.966 1.289 1.00 0.00 C ATOM 1151 CG LEU A 93 -2.863 5.869 1.356 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -3.891 6.045 0.249 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.215 4.495 1.273 1.00 0.00 C ATOM 0 H LEU A 93 -2.161 6.115 3.680 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.739 8.382 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.034 7.624 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.838 6.505 1.074 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.378 5.949 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.637 5.253 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.379 7.013 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.394 5.995 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.986 3.726 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.672 4.405 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.522 4.369 2.105 1.00 0.00 H new ATOM 1165 N LYS A 94 -2.875 9.514 3.778 1.00 0.00 N ATOM 1166 CA LYS A 94 -3.927 10.492 4.019 1.00 0.00 C ATOM 1167 C LYS A 94 -3.545 11.858 3.446 1.00 0.00 C ATOM 1168 O LYS A 94 -4.408 12.704 3.215 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.201 10.610 5.521 1.00 0.00 C ATOM 1170 CG LYS A 94 -5.138 11.749 5.892 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.372 13.027 6.185 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.096 13.183 7.672 1.00 0.00 C ATOM 1173 NZ LYS A 94 -5.353 13.336 8.456 1.00 0.00 N ATOM 0 H LYS A 94 -2.192 9.437 4.532 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.832 10.151 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.627 9.672 5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.254 10.748 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.841 11.923 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.726 11.468 6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.429 13.021 5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.943 13.884 5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.547 12.313 8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.459 14.052 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.164 13.903 9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.070 13.814 7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.704 12.398 8.736 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.249 12.071 3.234 1.00 0.00 N ATOM 1188 CA ASN A 95 -1.762 13.341 2.708 1.00 0.00 C ATOM 1189 C ASN A 95 -1.478 13.261 1.208 1.00 0.00 C ATOM 1190 O ASN A 95 -0.414 13.675 0.747 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.500 13.773 3.455 1.00 0.00 C ATOM 1192 CG ASN A 95 -0.700 13.811 4.958 1.00 0.00 C ATOM 1193 OD1 ASN A 95 -0.221 12.940 5.682 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -1.416 14.824 5.435 1.00 0.00 N ATOM 0 H ASN A 95 -1.520 11.382 3.418 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.546 14.083 2.861 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.312 13.086 3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.195 14.760 3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.586 14.900 6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.795 15.525 4.798 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.437 12.738 0.450 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.291 12.625 -0.999 1.00 0.00 C ATOM 1203 C GLN A 96 -3.498 13.231 -1.708 1.00 0.00 C ATOM 1204 O GLN A 96 -4.412 13.745 -1.063 1.00 0.00 O ATOM 1205 CB GLN A 96 -2.119 11.162 -1.415 1.00 0.00 C ATOM 1206 CG GLN A 96 -3.020 10.203 -0.659 1.00 0.00 C ATOM 1207 CD GLN A 96 -3.149 8.861 -1.353 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -4.248 8.328 -1.500 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -2.022 8.307 -1.782 1.00 0.00 N ATOM 0 H GLN A 96 -3.323 12.386 0.814 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.398 13.177 -1.292 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.320 11.071 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.080 10.869 -1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.624 10.053 0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.009 10.648 -0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.132 8.785 -1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.046 7.404 -2.255 1.00 0.00 H new ATOM 1218 N SER A 97 -3.497 13.176 -3.037 1.00 0.00 N ATOM 1219 CA SER A 97 -4.596 13.730 -3.823 1.00 0.00 C ATOM 1220 C SER A 97 -5.218 12.682 -4.751 1.00 0.00 C ATOM 1221 O SER A 97 -6.208 12.959 -5.429 1.00 0.00 O ATOM 1222 CB SER A 97 -4.107 14.927 -4.640 1.00 0.00 C ATOM 1223 OG SER A 97 -3.687 15.984 -3.793 1.00 0.00 O ATOM 0 H SER A 97 -2.751 12.755 -3.591 1.00 0.00 H new ATOM 0 HA SER A 97 -5.368 14.056 -3.126 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.281 14.621 -5.282 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.906 15.276 -5.294 1.00 0.00 H new ATOM 0 HG SER A 97 -3.377 16.737 -4.338 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.643 11.483 -4.773 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.154 10.403 -5.613 1.00 0.00 C ATOM 1231 C ARG A 98 -4.997 9.060 -4.909 1.00 0.00 C ATOM 1232 O ARG A 98 -3.947 8.769 -4.337 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.423 10.377 -6.958 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.302 9.970 -8.129 1.00 0.00 C ATOM 1235 CD ARG A 98 -6.020 11.162 -8.742 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.084 12.174 -9.239 1.00 0.00 N ATOM 1237 CZ ARG A 98 -5.119 12.687 -10.468 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -6.044 12.302 -11.340 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -4.224 13.598 -10.827 1.00 0.00 N ATOM 0 H ARG A 98 -3.823 11.234 -4.219 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.214 10.584 -5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.008 11.366 -7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.582 9.686 -6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.691 9.484 -8.890 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.036 9.237 -7.794 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.653 10.821 -9.561 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.677 11.611 -7.997 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.359 12.507 -8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.739 11.605 -11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.059 12.703 -12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.512 13.903 -10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.247 13.993 -11.767 1.00 0.00 H new ATOM 1253 N VAL A 99 -6.049 8.247 -4.945 1.00 0.00 N ATOM 1254 CA VAL A 99 -6.021 6.940 -4.300 1.00 0.00 C ATOM 1255 C VAL A 99 -6.237 5.816 -5.310 1.00 0.00 C ATOM 1256 O VAL A 99 -7.356 5.585 -5.767 1.00 0.00 O ATOM 1257 CB VAL A 99 -7.092 6.835 -3.196 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.804 5.654 -2.284 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -7.171 8.128 -2.395 1.00 0.00 C ATOM 0 H VAL A 99 -6.928 8.470 -5.412 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.033 6.834 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.059 6.672 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.570 5.596 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.807 4.734 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.827 5.784 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.933 8.031 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.206 8.327 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.431 8.952 -3.059 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.157 5.118 -5.648 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.221 4.013 -6.597 1.00 0.00 C ATOM 1271 C LYS A 100 -5.312 2.681 -5.859 1.00 0.00 C ATOM 1272 O LYS A 100 -4.305 2.138 -5.409 1.00 0.00 O ATOM 1273 CB LYS A 100 -3.987 4.034 -7.501 1.00 0.00 C ATOM 1274 CG LYS A 100 -3.921 2.870 -8.472 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.624 3.342 -9.887 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.890 3.786 -10.600 1.00 0.00 C ATOM 1277 NZ LYS A 100 -4.881 3.403 -12.040 1.00 0.00 N ATOM 0 H LYS A 100 -4.224 5.299 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.114 4.128 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.977 4.967 -8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.092 4.028 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.149 2.170 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.867 2.329 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.914 4.168 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.151 2.537 -10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.757 3.341 -10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.995 4.867 -10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.762 3.724 -12.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.069 3.848 -12.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.806 2.369 -12.124 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.530 2.170 -5.729 1.00 0.00 N ATOM 1292 CA LEU A 101 -6.764 0.910 -5.034 1.00 0.00 C ATOM 1293 C LEU A 101 -7.197 -0.186 -6.001 1.00 0.00 C ATOM 1294 O LEU A 101 -7.764 0.088 -7.055 1.00 0.00 O ATOM 1295 CB LEU A 101 -7.841 1.076 -3.951 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.113 2.514 -3.489 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.598 2.832 -3.579 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.609 2.718 -2.068 1.00 0.00 C ATOM 0 H LEU A 101 -7.373 2.610 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.821 0.620 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.773 0.653 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.549 0.485 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.576 3.196 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.772 3.856 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.931 2.723 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.156 2.145 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.809 3.743 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.120 2.027 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.536 2.531 -2.032 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.944 -1.430 -5.615 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.332 -2.580 -6.421 1.00 0.00 C ATOM 1312 C ASN A 102 -8.291 -3.450 -5.618 1.00 0.00 C ATOM 1313 O ASN A 102 -7.865 -4.308 -4.847 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.101 -3.386 -6.842 1.00 0.00 C ATOM 1315 CG ASN A 102 -5.766 -3.196 -8.308 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -4.610 -2.979 -8.670 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -6.783 -3.280 -9.161 1.00 0.00 N ATOM 0 H ASN A 102 -6.469 -1.669 -4.744 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.829 -2.233 -7.327 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.247 -3.086 -6.234 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.277 -4.444 -6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.621 -3.163 -10.161 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -7.725 -3.462 -8.815 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.586 -3.195 -5.772 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.596 -3.933 -5.023 1.00 0.00 C ATOM 1326 C ILE A 103 -11.465 -4.805 -5.927 1.00 0.00 C ATOM 1327 O ILE A 103 -11.377 -4.735 -7.149 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.486 -2.972 -4.196 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.722 -2.522 -4.977 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.688 -1.753 -3.758 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.730 -1.812 -4.110 1.00 0.00 C ATOM 0 H ILE A 103 -9.959 -2.487 -6.405 1.00 0.00 H new ATOM 0 HA ILE A 103 -10.060 -4.594 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.824 -3.523 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.414 -1.860 -5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.192 -3.391 -5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.328 -1.088 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.845 -2.071 -3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.318 -1.225 -4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.586 -1.515 -4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.062 -2.481 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.272 -0.926 -3.670 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.306 -5.623 -5.301 1.00 0.00 N ATOM 1344 CA VAL A 104 -13.204 -6.509 -6.031 1.00 0.00 C ATOM 1345 C VAL A 104 -14.657 -6.224 -5.664 1.00 0.00 C ATOM 1346 O VAL A 104 -15.025 -6.249 -4.489 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.898 -7.991 -5.741 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.621 -8.889 -6.731 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -11.398 -8.246 -5.775 1.00 0.00 C ATOM 0 H VAL A 104 -12.384 -5.690 -4.286 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.047 -6.318 -7.093 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.259 -8.227 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.393 -9.932 -6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.696 -8.728 -6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.294 -8.652 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.203 -9.298 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.008 -7.992 -6.761 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.907 -7.631 -5.021 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.477 -5.949 -6.673 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.886 -5.656 -6.453 1.00 0.00 C ATOM 1361 C ARG A 105 -17.671 -6.934 -6.178 1.00 0.00 C ATOM 1362 O ARG A 105 -17.727 -7.831 -7.018 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.469 -4.937 -7.669 1.00 0.00 C ATOM 1364 CG ARG A 105 -18.937 -4.586 -7.514 1.00 0.00 C ATOM 1365 CD ARG A 105 -19.420 -3.685 -8.637 1.00 0.00 C ATOM 1366 NE ARG A 105 -20.272 -4.402 -9.585 1.00 0.00 N ATOM 1367 CZ ARG A 105 -21.125 -3.805 -10.414 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -21.241 -2.482 -10.422 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -21.864 -4.532 -11.241 1.00 0.00 N ATOM 0 H ARG A 105 -15.189 -5.923 -7.651 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.967 -5.008 -5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.902 -4.024 -7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.345 -5.568 -8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -19.530 -5.500 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -19.093 -4.090 -6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -19.973 -2.845 -8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -18.561 -3.269 -9.164 1.00 0.00 H new ATOM 0 HE ARG A 105 -20.209 -5.420 -9.612 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -20.674 -1.917 -9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -21.897 -2.031 -11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -21.779 -5.548 -11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -22.518 -4.075 -11.876 1.00 0.00 H new ATOM 1384 N PRO B -3 -16.778 3.432 13.780 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.367 3.239 13.427 1.00 0.00 C ATOM 1386 C PRO B -3 -14.624 4.560 13.259 1.00 0.00 C ATOM 1387 O PRO B -3 -15.200 5.634 13.434 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.426 2.482 12.096 1.00 0.00 C ATOM 1389 CG PRO B -3 -16.774 2.784 11.538 1.00 0.00 C ATOM 1390 CD PRO B -3 -17.684 2.950 12.721 1.00 0.00 C ATOM 0 H2 PRO B -3 -16.952 4.422 13.951 1.00 0.00 H new ATOM 0 H3 PRO B -3 -16.980 2.939 14.650 1.00 0.00 H new ATOM 0 HA PRO B -3 -14.824 2.706 14.208 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -14.637 2.811 11.420 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -15.292 1.411 12.245 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -16.752 3.690 10.933 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.118 1.977 10.891 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -18.482 3.665 12.518 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.161 2.010 12.997 1.00 0.00 H new ATOM 1398 N VAL B -2 -13.339 4.473 12.924 1.00 0.00 N ATOM 1399 CA VAL B -2 -12.514 5.662 12.735 1.00 0.00 C ATOM 1400 C VAL B -2 -12.386 6.032 11.259 1.00 0.00 C ATOM 1401 O VAL B -2 -11.983 7.145 10.924 1.00 0.00 O ATOM 1402 CB VAL B -2 -11.105 5.462 13.324 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -11.148 5.509 14.843 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -10.505 4.150 12.841 1.00 0.00 C ATOM 0 H VAL B -2 -12.847 3.591 12.778 1.00 0.00 H new ATOM 0 HA VAL B -2 -13.015 6.474 13.261 1.00 0.00 H new ATOM 0 HB VAL B -2 -10.468 6.276 12.977 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -10.143 5.366 15.240 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -11.531 6.477 15.166 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -11.800 4.718 15.213 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -9.510 4.026 13.268 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -11.140 3.322 13.156 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -10.435 4.161 11.753 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.730 5.093 10.380 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.654 5.321 8.938 1.00 0.00 C ATOM 1416 C TYR B -1 -11.213 5.531 8.485 1.00 0.00 C ATOM 1417 O TYR B -1 -10.306 5.685 9.304 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.494 6.537 8.540 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.968 6.394 8.840 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.448 6.529 10.136 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.879 6.131 7.827 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.795 6.404 10.415 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -17.229 6.004 8.096 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.681 6.142 9.392 1.00 0.00 C ATOM 1425 OH TYR B -1 -19.024 6.017 9.665 1.00 0.00 O ATOM 0 H TYR B -1 -13.065 4.166 10.641 1.00 0.00 H new ATOM 0 HA TYR B -1 -13.048 4.432 8.446 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.112 7.415 9.061 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -13.367 6.719 7.473 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.756 6.735 10.939 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.528 6.024 6.811 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -17.152 6.511 11.429 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -17.925 5.798 7.297 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.511 5.834 8.834 1.00 0.00 H new ATOM 1435 N ILE B 0 -11.016 5.550 7.171 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.696 5.756 6.590 1.00 0.00 C ATOM 1437 C ILE B 0 -9.785 6.652 5.363 1.00 0.00 C ATOM 1438 O ILE B 0 -10.919 7.010 4.979 1.00 0.00 O ATOM 1439 CB ILE B 0 -9.021 4.423 6.202 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.907 3.605 5.252 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.698 3.615 7.450 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -10.153 4.262 3.909 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.724 6.978 4.790 1.00 0.00 O ATOM 0 H ILE B 0 -11.760 5.424 6.485 1.00 0.00 H new ATOM 0 HA ILE B 0 -9.085 6.238 7.353 1.00 0.00 H new ATOM 0 HB ILE B 0 -8.094 4.655 5.678 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.443 2.632 5.088 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.867 3.423 5.736 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -8.222 2.677 7.163 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -8.022 4.185 8.087 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.618 3.403 7.995 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.787 3.618 3.300 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.647 5.222 4.059 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.201 4.419 3.401 1.00 0.00 H new