USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 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= -2.74 K(o=-5.8,f=-9.2!) USER MOD Set 1.2: A 96 GLN : amide:sc= -3.06 K(o=-5.8,f=-11!) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= -0.0198 (180deg=-0.243) USER MOD Single : A 25 LYS NZ :NH3+ -123:sc= 1.06 (180deg=0.57) USER MOD Single : A 26 GLN : amide:sc= -0.0519 X(o=-0.052,f=-0.49) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 61:sc= 0.0306 USER MOD Single : A 42 SER OG : rot 88:sc= -0.225 USER MOD Single : A 46 THR OG1 : rot -172:sc= -1.44! USER MOD Single : A 51 ASN : amide:sc= -0.293 K(o=-0.29,f=-3.1!) USER MOD Single : A 52 MET CE :methyl 138:sc= -1.22 (180deg=-4.15!) USER MOD Single : A 53 MET CE :methyl -160:sc= -6.33! (180deg=-7.3!) USER MOD Single : A 54 HIS : no HD1:sc= -0.0323 X(o=-0.032,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 125:sc= -0.262 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.535 F(o=-2.6,f=-0.54) USER MOD Single : A 69 GLN : amide:sc= -8.14 K(o=-8.1,f=-18!) USER MOD Single : A 71 MET CE :methyl 174:sc= -7.83! (180deg=-8.28!) USER MOD Single : A 72 SER OG : rot -170:sc= -2.54 USER MOD Single : A 76 THR OG1 : rot 180:sc=0.000204 USER MOD Single : A 77 SER OG : rot 180:sc=-0.000898 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -160:sc= -1.1 USER MOD Single : A 86 CYS SG : rot 90:sc= -3.37! USER MOD Single : A 87 GLN : amide:sc= -3 X(o=-3,f=-2.7!) USER MOD Single : A 88 SER OG : rot 180:sc= -0.351 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -138:sc= -0.872 (180deg=-3.13!) USER MOD Single : A 95 ASN : amide:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= -0.0969 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.25 F(o=-1.3,f=-0.25) USER MOD Single : B -1 TYR OH : rot 180:sc= -2.11 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.530 -9.346 -9.084 1.00 0.00 N ATOM 2 CA GLU A 17 -14.684 -8.842 -10.162 1.00 0.00 C ATOM 3 C GLU A 17 -13.742 -7.745 -9.670 1.00 0.00 C ATOM 4 O GLU A 17 -14.164 -6.797 -9.008 1.00 0.00 O ATOM 5 CB GLU A 17 -15.547 -8.310 -11.306 1.00 0.00 C ATOM 6 CG GLU A 17 -16.624 -7.337 -10.854 1.00 0.00 C ATOM 7 CD GLU A 17 -17.481 -6.843 -12.003 1.00 0.00 C ATOM 8 OE1 GLU A 17 -17.021 -5.950 -12.746 1.00 0.00 O ATOM 9 OE2 GLU A 17 -18.612 -7.349 -12.160 1.00 0.00 O ATOM 0 HA GLU A 17 -14.077 -9.673 -10.521 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.905 -7.815 -12.035 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.019 -9.150 -11.815 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.260 -7.822 -10.114 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.155 -6.485 -10.362 1.00 0.00 H new ATOM 16 N PHE A 18 -12.464 -7.876 -10.016 1.00 0.00 N ATOM 17 CA PHE A 18 -11.450 -6.899 -9.632 1.00 0.00 C ATOM 18 C PHE A 18 -11.690 -5.574 -10.348 1.00 0.00 C ATOM 19 O PHE A 18 -12.280 -5.548 -11.429 1.00 0.00 O ATOM 20 CB PHE A 18 -10.056 -7.421 -9.989 1.00 0.00 C ATOM 21 CG PHE A 18 -9.311 -8.030 -8.837 1.00 0.00 C ATOM 22 CD1 PHE A 18 -9.673 -9.268 -8.332 1.00 0.00 C ATOM 23 CD2 PHE A 18 -8.234 -7.367 -8.268 1.00 0.00 C ATOM 24 CE1 PHE A 18 -8.975 -9.836 -7.284 1.00 0.00 C ATOM 25 CE2 PHE A 18 -7.536 -7.929 -7.218 1.00 0.00 C ATOM 26 CZ PHE A 18 -7.906 -9.165 -6.727 1.00 0.00 C ATOM 0 H PHE A 18 -12.104 -8.656 -10.566 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.515 -6.741 -8.555 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.151 -8.166 -10.779 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.466 -6.599 -10.394 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.511 -9.796 -8.763 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.938 -6.401 -8.650 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.266 -10.803 -6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.701 -7.402 -6.781 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.359 -9.606 -5.907 1.00 0.00 H new ATOM 36 N LYS A 19 -11.229 -4.477 -9.756 1.00 0.00 N ATOM 37 CA LYS A 19 -11.406 -3.168 -10.373 1.00 0.00 C ATOM 38 C LYS A 19 -10.540 -2.098 -9.711 1.00 0.00 C ATOM 39 O LYS A 19 -10.599 -1.890 -8.496 1.00 0.00 O ATOM 40 CB LYS A 19 -12.875 -2.754 -10.320 1.00 0.00 C ATOM 41 CG LYS A 19 -13.427 -2.655 -8.909 1.00 0.00 C ATOM 42 CD LYS A 19 -13.837 -1.232 -8.569 1.00 0.00 C ATOM 43 CE LYS A 19 -14.953 -0.741 -9.476 1.00 0.00 C ATOM 44 NZ LYS A 19 -14.929 0.740 -9.635 1.00 0.00 N ATOM 0 H LYS A 19 -10.737 -4.467 -8.863 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.087 -3.254 -11.412 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.990 -1.790 -10.815 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.468 -3.475 -10.884 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.287 -3.317 -8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.675 -2.998 -8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.164 -1.185 -7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.975 -0.572 -8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.860 -1.213 -10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.915 -1.046 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.413 1.002 -10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.414 1.184 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.943 1.070 -9.670 1.00 0.00 H new ATOM 58 N ASP A 20 -9.751 -1.410 -10.534 1.00 0.00 N ATOM 59 CA ASP A 20 -8.882 -0.337 -10.062 1.00 0.00 C ATOM 60 C ASP A 20 -9.716 0.875 -9.666 1.00 0.00 C ATOM 61 O ASP A 20 -10.247 1.582 -10.522 1.00 0.00 O ATOM 62 CB ASP A 20 -7.880 0.058 -11.151 1.00 0.00 C ATOM 63 CG ASP A 20 -7.261 -1.145 -11.835 1.00 0.00 C ATOM 64 OD1 ASP A 20 -8.002 -1.893 -12.507 1.00 0.00 O ATOM 65 OD2 ASP A 20 -6.035 -1.340 -11.698 1.00 0.00 O ATOM 0 H ASP A 20 -9.697 -1.579 -11.538 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.333 -0.695 -9.191 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.382 0.676 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.091 0.667 -10.710 1.00 0.00 H new ATOM 70 N VAL A 21 -9.838 1.106 -8.364 1.00 0.00 N ATOM 71 CA VAL A 21 -10.618 2.228 -7.862 1.00 0.00 C ATOM 72 C VAL A 21 -9.740 3.447 -7.634 1.00 0.00 C ATOM 73 O VAL A 21 -8.992 3.514 -6.659 1.00 0.00 O ATOM 74 CB VAL A 21 -11.339 1.875 -6.548 1.00 0.00 C ATOM 75 CG1 VAL A 21 -12.304 2.985 -6.159 1.00 0.00 C ATOM 76 CG2 VAL A 21 -12.069 0.546 -6.675 1.00 0.00 C ATOM 0 H VAL A 21 -9.407 0.532 -7.639 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.364 2.457 -8.623 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.592 1.776 -5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.806 2.721 -5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.753 3.915 -6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.046 3.115 -6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.572 0.316 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.807 0.611 -7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.352 -0.242 -6.906 1.00 0.00 H new ATOM 86 N PHE A 22 -9.835 4.414 -8.538 1.00 0.00 N ATOM 87 CA PHE A 22 -9.049 5.633 -8.430 1.00 0.00 C ATOM 88 C PHE A 22 -9.901 6.776 -7.896 1.00 0.00 C ATOM 89 O PHE A 22 -10.728 7.339 -8.615 1.00 0.00 O ATOM 90 CB PHE A 22 -8.456 6.006 -9.792 1.00 0.00 C ATOM 91 CG PHE A 22 -7.075 6.607 -9.726 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.272 6.446 -8.606 1.00 0.00 C ATOM 93 CD2 PHE A 22 -6.581 7.335 -10.796 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.009 6.995 -8.556 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.315 7.887 -10.751 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.530 7.715 -9.628 1.00 0.00 C ATOM 0 H PHE A 22 -10.448 4.376 -9.352 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.234 5.454 -7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.421 5.113 -10.416 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.124 6.713 -10.284 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.642 5.883 -7.762 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.192 7.473 -11.676 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.396 6.861 -7.677 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.940 8.452 -11.592 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.540 8.145 -9.590 1.00 0.00 H new ATOM 106 N ILE A 23 -9.691 7.112 -6.630 1.00 0.00 N ATOM 107 CA ILE A 23 -10.438 8.185 -5.993 1.00 0.00 C ATOM 108 C ILE A 23 -9.594 9.452 -5.894 1.00 0.00 C ATOM 109 O ILE A 23 -8.767 9.591 -4.994 1.00 0.00 O ATOM 110 CB ILE A 23 -10.905 7.774 -4.581 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.750 6.499 -4.652 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.685 8.905 -3.920 1.00 0.00 C ATOM 113 CD1 ILE A 23 -13.149 6.721 -5.186 1.00 0.00 C ATOM 0 H ILE A 23 -9.009 6.656 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.312 8.384 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.025 7.571 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.241 5.772 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.817 6.063 -3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.005 8.594 -2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.049 9.786 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.560 9.145 -4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.685 5.772 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.677 7.423 -4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.093 7.128 -6.196 1.00 0.00 H new ATOM 125 N GLU A 24 -9.814 10.377 -6.822 1.00 0.00 N ATOM 126 CA GLU A 24 -9.079 11.634 -6.830 1.00 0.00 C ATOM 127 C GLU A 24 -9.607 12.549 -5.735 1.00 0.00 C ATOM 128 O GLU A 24 -10.730 13.045 -5.819 1.00 0.00 O ATOM 129 CB GLU A 24 -9.200 12.316 -8.194 1.00 0.00 C ATOM 130 CG GLU A 24 -8.522 11.550 -9.318 1.00 0.00 C ATOM 131 CD GLU A 24 -9.428 11.345 -10.517 1.00 0.00 C ATOM 132 OE1 GLU A 24 -10.559 10.851 -10.330 1.00 0.00 O ATOM 133 OE2 GLU A 24 -9.006 11.681 -11.644 1.00 0.00 O ATOM 0 H GLU A 24 -10.494 10.279 -7.576 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.026 11.426 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.255 12.442 -8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.766 13.314 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.628 12.089 -9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.195 10.579 -8.945 1.00 0.00 H new ATOM 140 N LYS A 25 -8.802 12.756 -4.701 1.00 0.00 N ATOM 141 CA LYS A 25 -9.211 13.599 -3.583 1.00 0.00 C ATOM 142 C LYS A 25 -8.147 14.630 -3.241 1.00 0.00 C ATOM 143 O LYS A 25 -7.111 14.718 -3.901 1.00 0.00 O ATOM 144 CB LYS A 25 -9.500 12.732 -2.359 1.00 0.00 C ATOM 145 CG LYS A 25 -8.353 11.807 -1.985 1.00 0.00 C ATOM 146 CD LYS A 25 -8.019 11.896 -0.504 1.00 0.00 C ATOM 147 CE LYS A 25 -6.546 11.616 -0.247 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.347 10.360 0.530 1.00 0.00 N ATOM 0 H LYS A 25 -7.868 12.355 -4.612 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.114 14.133 -3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.726 13.379 -1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.391 12.134 -2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.617 10.780 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.472 12.064 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.272 12.889 -0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.628 11.183 0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.019 11.542 -1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.107 12.453 0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.813 10.569 1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.272 9.957 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.816 9.676 -0.046 1.00 0.00 H new ATOM 162 N GLN A 26 -8.411 15.406 -2.195 1.00 0.00 N ATOM 163 CA GLN A 26 -7.483 16.429 -1.743 1.00 0.00 C ATOM 164 C GLN A 26 -6.940 16.073 -0.366 1.00 0.00 C ATOM 165 O GLN A 26 -7.441 15.161 0.292 1.00 0.00 O ATOM 166 CB GLN A 26 -8.169 17.795 -1.700 1.00 0.00 C ATOM 167 CG GLN A 26 -8.344 18.434 -3.067 1.00 0.00 C ATOM 168 CD GLN A 26 -9.684 18.106 -3.697 1.00 0.00 C ATOM 169 OE1 GLN A 26 -10.724 18.176 -3.043 1.00 0.00 O ATOM 170 NE2 GLN A 26 -9.665 17.746 -4.975 1.00 0.00 N ATOM 0 H GLN A 26 -9.267 15.343 -1.643 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.654 16.479 -2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.147 17.686 -1.232 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.586 18.465 -1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.246 19.516 -2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.544 18.097 -3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.779 17.701 -5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.536 17.514 -5.453 1.00 0.00 H new ATOM 179 N LYS A 27 -5.917 16.795 0.068 1.00 0.00 N ATOM 180 CA LYS A 27 -5.313 16.547 1.370 1.00 0.00 C ATOM 181 C LYS A 27 -6.277 16.912 2.488 1.00 0.00 C ATOM 182 O LYS A 27 -7.175 17.736 2.306 1.00 0.00 O ATOM 183 CB LYS A 27 -4.013 17.339 1.513 1.00 0.00 C ATOM 184 CG LYS A 27 -3.204 17.405 0.228 1.00 0.00 C ATOM 185 CD LYS A 27 -1.711 17.386 0.506 1.00 0.00 C ATOM 186 CE LYS A 27 -0.978 16.476 -0.467 1.00 0.00 C ATOM 187 NZ LYS A 27 -0.254 17.246 -1.517 1.00 0.00 N ATOM 0 H LYS A 27 -5.489 17.555 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.086 15.484 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.247 18.352 1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.404 16.886 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.466 16.562 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.461 18.312 -0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.312 18.398 0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.534 17.048 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.269 15.856 0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.692 15.802 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.231 16.587 -2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.933 17.818 -2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.446 17.871 -1.069 1.00 0.00 H new ATOM 201 N GLY A 28 -6.089 16.289 3.642 1.00 0.00 N ATOM 202 CA GLY A 28 -6.957 16.553 4.773 1.00 0.00 C ATOM 203 C GLY A 28 -8.353 15.992 4.576 1.00 0.00 C ATOM 204 O GLY A 28 -9.279 16.354 5.300 1.00 0.00 O ATOM 0 H GLY A 28 -5.352 15.606 3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.519 16.121 5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.021 17.629 4.935 1.00 0.00 H new ATOM 208 N GLU A 29 -8.506 15.100 3.596 1.00 0.00 N ATOM 209 CA GLU A 29 -9.797 14.489 3.318 1.00 0.00 C ATOM 210 C GLU A 29 -9.659 12.977 3.247 1.00 0.00 C ATOM 211 O GLU A 29 -10.371 12.312 2.498 1.00 0.00 O ATOM 212 CB GLU A 29 -10.383 15.036 2.015 1.00 0.00 C ATOM 213 CG GLU A 29 -11.696 15.778 2.202 1.00 0.00 C ATOM 214 CD GLU A 29 -12.815 14.872 2.675 1.00 0.00 C ATOM 215 OE1 GLU A 29 -12.657 14.240 3.741 1.00 0.00 O ATOM 216 OE2 GLU A 29 -13.850 14.794 1.981 1.00 0.00 O ATOM 0 H GLU A 29 -7.751 14.788 2.985 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.480 14.738 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.658 15.707 1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.538 14.210 1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.555 16.582 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.984 16.243 1.259 1.00 0.00 H new ATOM 223 N ILE A 30 -8.731 12.460 4.054 1.00 0.00 N ATOM 224 CA ILE A 30 -8.442 11.022 4.148 1.00 0.00 C ATOM 225 C ILE A 30 -9.058 10.206 3.010 1.00 0.00 C ATOM 226 O ILE A 30 -8.378 9.856 2.045 1.00 0.00 O ATOM 227 CB ILE A 30 -8.914 10.439 5.498 1.00 0.00 C ATOM 228 CG1 ILE A 30 -10.118 11.206 6.035 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.785 10.456 6.514 1.00 0.00 C ATOM 230 CD1 ILE A 30 -11.177 10.298 6.608 1.00 0.00 C ATOM 0 H ILE A 30 -8.151 13.031 4.669 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.358 10.941 4.069 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.215 9.405 5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.786 11.902 6.805 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.552 11.802 5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.139 10.041 7.458 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.953 9.857 6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.452 11.482 6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.010 10.897 6.975 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.532 9.619 5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.755 9.721 7.431 1.00 0.00 H new ATOM 242 N LEU A 31 -10.344 9.914 3.140 1.00 0.00 N ATOM 243 CA LEU A 31 -11.078 9.140 2.143 1.00 0.00 C ATOM 244 C LEU A 31 -12.497 8.885 2.631 1.00 0.00 C ATOM 245 O LEU A 31 -13.465 9.062 1.891 1.00 0.00 O ATOM 246 CB LEU A 31 -10.381 7.804 1.870 1.00 0.00 C ATOM 247 CG LEU A 31 -10.743 7.146 0.538 1.00 0.00 C ATOM 248 CD1 LEU A 31 -10.476 8.101 -0.618 1.00 0.00 C ATOM 249 CD2 LEU A 31 -9.964 5.853 0.355 1.00 0.00 C ATOM 0 H LEU A 31 -10.909 10.205 3.937 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.107 9.713 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.303 7.961 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.624 7.113 2.677 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.807 6.908 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.739 7.617 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.078 9.001 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.420 8.370 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.234 5.398 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.895 6.067 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.204 5.166 1.166 1.00 0.00 H new ATOM 261 N GLY A 32 -12.607 8.484 3.893 1.00 0.00 N ATOM 262 CA GLY A 32 -13.906 8.225 4.485 1.00 0.00 C ATOM 263 C GLY A 32 -14.425 6.822 4.223 1.00 0.00 C ATOM 264 O GLY A 32 -15.459 6.651 3.577 1.00 0.00 O ATOM 0 H GLY A 32 -11.816 8.333 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.844 8.385 5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.624 8.947 4.096 1.00 0.00 H new ATOM 268 N VAL A 33 -13.719 5.815 4.735 1.00 0.00 N ATOM 269 CA VAL A 33 -14.140 4.423 4.557 1.00 0.00 C ATOM 270 C VAL A 33 -13.631 3.538 5.696 1.00 0.00 C ATOM 271 O VAL A 33 -12.638 3.858 6.347 1.00 0.00 O ATOM 272 CB VAL A 33 -13.688 3.839 3.189 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.698 4.912 2.112 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.315 3.184 3.279 1.00 0.00 C ATOM 0 H VAL A 33 -12.860 5.933 5.272 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.230 4.428 4.574 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.405 3.065 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.378 4.479 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.706 5.312 2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.017 5.715 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.036 2.789 2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.579 3.923 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.347 2.371 4.004 1.00 0.00 H new ATOM 284 N VAL A 34 -14.321 2.424 5.929 1.00 0.00 N ATOM 285 CA VAL A 34 -13.937 1.494 6.986 1.00 0.00 C ATOM 286 C VAL A 34 -13.708 0.095 6.435 1.00 0.00 C ATOM 287 O VAL A 34 -14.551 -0.451 5.725 1.00 0.00 O ATOM 288 CB VAL A 34 -15.003 1.423 8.093 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.547 0.513 9.224 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.316 2.813 8.616 1.00 0.00 C ATOM 0 H VAL A 34 -15.147 2.144 5.401 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.007 1.873 7.410 1.00 0.00 H new ATOM 0 HB VAL A 34 -15.913 1.002 7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.316 0.478 9.995 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.376 -0.491 8.836 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.622 0.900 9.652 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.072 2.746 9.398 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.410 3.261 9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.691 3.432 7.801 1.00 0.00 H new ATOM 300 N ILE A 35 -12.560 -0.479 6.770 1.00 0.00 N ATOM 301 CA ILE A 35 -12.204 -1.808 6.319 1.00 0.00 C ATOM 302 C ILE A 35 -12.116 -2.782 7.488 1.00 0.00 C ATOM 303 O ILE A 35 -11.684 -2.418 8.582 1.00 0.00 O ATOM 304 CB ILE A 35 -10.864 -1.796 5.577 1.00 0.00 C ATOM 305 CG1 ILE A 35 -9.831 -0.984 6.352 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.039 -1.245 4.171 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.455 -1.605 6.335 1.00 0.00 C ATOM 0 H ILE A 35 -11.856 -0.035 7.359 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.990 -2.136 5.639 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.502 -2.821 5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.775 0.019 5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.162 -0.877 7.385 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.077 -1.244 3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.743 -1.869 3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.423 -0.226 4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.767 -0.980 6.903 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.498 -2.598 6.783 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.105 -1.687 5.306 1.00 0.00 H new ATOM 319 N VAL A 36 -12.524 -4.022 7.247 1.00 0.00 N ATOM 320 CA VAL A 36 -12.489 -5.053 8.276 1.00 0.00 C ATOM 321 C VAL A 36 -11.971 -6.370 7.709 1.00 0.00 C ATOM 322 O VAL A 36 -11.899 -6.543 6.494 1.00 0.00 O ATOM 323 CB VAL A 36 -13.885 -5.286 8.889 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.369 -4.036 9.608 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.876 -5.709 7.816 1.00 0.00 C ATOM 0 H VAL A 36 -12.883 -4.338 6.346 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.814 -4.701 9.056 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.810 -6.091 9.620 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.355 -4.220 10.034 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.671 -3.782 10.406 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.428 -3.209 8.900 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.855 -5.869 8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.948 -4.928 7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.536 -6.634 7.351 1.00 0.00 H new ATOM 335 N GLU A 37 -11.611 -7.297 8.592 1.00 0.00 N ATOM 336 CA GLU A 37 -11.101 -8.598 8.168 1.00 0.00 C ATOM 337 C GLU A 37 -12.078 -9.280 7.214 1.00 0.00 C ATOM 338 O GLU A 37 -13.282 -9.314 7.463 1.00 0.00 O ATOM 339 CB GLU A 37 -10.848 -9.492 9.384 1.00 0.00 C ATOM 340 CG GLU A 37 -9.431 -9.395 9.926 1.00 0.00 C ATOM 341 CD GLU A 37 -9.313 -9.911 11.347 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.202 -11.141 11.525 1.00 0.00 O ATOM 343 OE2 GLU A 37 -9.333 -9.084 12.284 1.00 0.00 O ATOM 0 H GLU A 37 -11.663 -7.173 9.603 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.160 -8.438 7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.549 -9.224 10.174 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.054 -10.527 9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.760 -9.962 9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.104 -8.356 9.892 1.00 0.00 H new ATOM 350 N SER A 38 -11.549 -9.817 6.118 1.00 0.00 N ATOM 351 CA SER A 38 -12.370 -10.490 5.120 1.00 0.00 C ATOM 352 C SER A 38 -12.791 -11.881 5.589 1.00 0.00 C ATOM 353 O SER A 38 -12.169 -12.882 5.236 1.00 0.00 O ATOM 354 CB SER A 38 -11.616 -10.587 3.793 1.00 0.00 C ATOM 355 OG SER A 38 -10.609 -11.583 3.848 1.00 0.00 O ATOM 0 H SER A 38 -10.553 -9.798 5.900 1.00 0.00 H new ATOM 0 HA SER A 38 -13.273 -9.897 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.316 -10.818 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.165 -9.623 3.556 1.00 0.00 H new ATOM 0 HG SER A 38 -11.020 -12.454 4.032 1.00 0.00 H new ATOM 361 N GLY A 39 -13.857 -11.933 6.384 1.00 0.00 N ATOM 362 CA GLY A 39 -14.347 -13.206 6.887 1.00 0.00 C ATOM 363 C GLY A 39 -15.217 -13.937 5.882 1.00 0.00 C ATOM 364 O GLY A 39 -15.632 -15.072 6.123 1.00 0.00 O ATOM 0 H GLY A 39 -14.390 -11.118 6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.499 -13.837 7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.918 -13.036 7.800 1.00 0.00 H new ATOM 368 N TRP A 40 -15.482 -13.293 4.751 1.00 0.00 N ATOM 369 CA TRP A 40 -16.289 -13.884 3.690 1.00 0.00 C ATOM 370 C TRP A 40 -15.696 -15.226 3.256 1.00 0.00 C ATOM 371 O TRP A 40 -14.875 -15.807 3.965 1.00 0.00 O ATOM 372 CB TRP A 40 -16.330 -12.925 2.501 1.00 0.00 C ATOM 373 CG TRP A 40 -14.980 -12.714 1.884 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.765 -12.859 2.497 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.702 -12.325 0.536 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.755 -12.595 1.610 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.303 -12.263 0.403 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.498 -12.027 -0.571 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.683 -11.918 -0.789 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -14.881 -11.679 -1.759 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.485 -11.628 -1.860 1.00 0.00 C ATOM 0 H TRP A 40 -15.146 -12.352 4.544 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.300 -14.056 4.059 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.013 -13.316 1.747 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.731 -11.965 2.827 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.623 -13.141 3.530 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.757 -12.639 1.817 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.575 -12.067 -0.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.607 -11.880 -0.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.485 -11.443 -2.622 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.032 -11.354 -2.802 1.00 0.00 H new ATOM 392 N GLY A 41 -16.093 -15.708 2.078 1.00 0.00 N ATOM 393 CA GLY A 41 -15.557 -16.966 1.582 1.00 0.00 C ATOM 394 C GLY A 41 -14.040 -17.002 1.667 1.00 0.00 C ATOM 395 O GLY A 41 -13.437 -18.069 1.780 1.00 0.00 O ATOM 0 H GLY A 41 -16.770 -15.255 1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.974 -17.792 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.867 -17.111 0.547 1.00 0.00 H new ATOM 399 N SER A 42 -13.436 -15.816 1.621 1.00 0.00 N ATOM 400 CA SER A 42 -11.987 -15.659 1.700 1.00 0.00 C ATOM 401 C SER A 42 -11.332 -15.872 0.357 1.00 0.00 C ATOM 402 O SER A 42 -10.297 -16.529 0.243 1.00 0.00 O ATOM 403 CB SER A 42 -11.369 -16.588 2.742 1.00 0.00 C ATOM 404 OG SER A 42 -12.310 -16.940 3.744 1.00 0.00 O ATOM 0 H SER A 42 -13.941 -14.935 1.528 1.00 0.00 H new ATOM 0 HA SER A 42 -11.802 -14.631 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.000 -17.490 2.254 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.510 -16.100 3.203 1.00 0.00 H new ATOM 0 HG SER A 42 -12.806 -17.736 3.461 1.00 0.00 H new ATOM 410 N ILE A 43 -11.926 -15.273 -0.655 1.00 0.00 N ATOM 411 CA ILE A 43 -11.399 -15.344 -1.994 1.00 0.00 C ATOM 412 C ILE A 43 -9.985 -14.769 -2.016 1.00 0.00 C ATOM 413 O ILE A 43 -9.110 -15.242 -2.740 1.00 0.00 O ATOM 414 CB ILE A 43 -12.293 -14.554 -2.943 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.714 -15.101 -2.889 1.00 0.00 C ATOM 416 CG2 ILE A 43 -11.747 -14.602 -4.347 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.726 -14.198 -3.542 1.00 0.00 C ATOM 0 H ILE A 43 -12.783 -14.727 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.370 -16.385 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.311 -13.510 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.739 -16.076 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.996 -15.258 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.398 -14.033 -5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.746 -14.171 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.701 -15.637 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.716 -14.648 -3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.728 -13.231 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.467 -14.061 -4.592 1.00 0.00 H new ATOM 429 N LEU A 44 -9.789 -13.748 -1.189 1.00 0.00 N ATOM 430 CA LEU A 44 -8.509 -13.073 -1.049 1.00 0.00 C ATOM 431 C LEU A 44 -8.442 -12.412 0.328 1.00 0.00 C ATOM 432 O LEU A 44 -8.967 -11.316 0.522 1.00 0.00 O ATOM 433 CB LEU A 44 -8.334 -12.025 -2.148 1.00 0.00 C ATOM 434 CG LEU A 44 -8.390 -12.568 -3.578 1.00 0.00 C ATOM 435 CD1 LEU A 44 -8.319 -11.432 -4.584 1.00 0.00 C ATOM 436 CD2 LEU A 44 -7.261 -13.561 -3.815 1.00 0.00 C ATOM 0 H LEU A 44 -10.522 -13.364 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.704 -13.802 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.109 -11.268 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.376 -11.525 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.340 -13.086 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.360 -11.838 -5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.160 -10.756 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.385 -10.885 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.316 -13.937 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.302 -13.065 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.355 -14.393 -3.117 1.00 0.00 H new ATOM 448 N PRO A 45 -7.823 -13.084 1.316 1.00 0.00 N ATOM 449 CA PRO A 45 -7.725 -12.566 2.685 1.00 0.00 C ATOM 450 C PRO A 45 -7.094 -11.178 2.767 1.00 0.00 C ATOM 451 O PRO A 45 -5.878 -11.048 2.897 1.00 0.00 O ATOM 452 CB PRO A 45 -6.842 -13.594 3.410 1.00 0.00 C ATOM 453 CG PRO A 45 -6.225 -14.423 2.333 1.00 0.00 C ATOM 454 CD PRO A 45 -7.196 -14.407 1.191 1.00 0.00 C ATOM 0 HA PRO A 45 -8.715 -12.445 3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.078 -13.100 4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.433 -14.209 4.088 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.261 -14.015 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.046 -15.441 2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.694 -14.528 0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.928 -15.211 1.271 1.00 0.00 H new ATOM 462 N THR A 46 -7.932 -10.144 2.713 1.00 0.00 N ATOM 463 CA THR A 46 -7.447 -8.770 2.806 1.00 0.00 C ATOM 464 C THR A 46 -8.323 -7.950 3.759 1.00 0.00 C ATOM 465 O THR A 46 -8.058 -7.900 4.961 1.00 0.00 O ATOM 466 CB THR A 46 -7.382 -8.113 1.422 1.00 0.00 C ATOM 467 OG1 THR A 46 -7.523 -6.704 1.529 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.432 -8.628 0.459 1.00 0.00 C ATOM 0 H THR A 46 -8.943 -10.231 2.606 1.00 0.00 H new ATOM 0 HA THR A 46 -6.435 -8.796 3.210 1.00 0.00 H new ATOM 0 HB THR A 46 -6.403 -8.375 1.021 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.611 -6.315 0.634 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.327 -8.120 -0.500 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.301 -9.701 0.317 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.425 -8.435 0.866 1.00 0.00 H new ATOM 476 N VAL A 47 -9.368 -7.314 3.228 1.00 0.00 N ATOM 477 CA VAL A 47 -10.267 -6.510 4.052 1.00 0.00 C ATOM 478 C VAL A 47 -11.606 -6.282 3.358 1.00 0.00 C ATOM 479 O VAL A 47 -11.753 -6.549 2.165 1.00 0.00 O ATOM 480 CB VAL A 47 -9.655 -5.143 4.415 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.828 -5.246 5.688 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.818 -4.595 3.267 1.00 0.00 C ATOM 0 H VAL A 47 -9.611 -7.340 2.238 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.425 -7.079 4.969 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.472 -4.445 4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.405 -4.270 5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.464 -5.577 6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.022 -5.965 5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.399 -3.630 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.009 -5.290 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.446 -4.472 2.385 1.00 0.00 H new ATOM 492 N ILE A 48 -12.581 -5.787 4.116 1.00 0.00 N ATOM 493 CA ILE A 48 -13.914 -5.522 3.575 1.00 0.00 C ATOM 494 C ILE A 48 -14.410 -4.134 3.959 1.00 0.00 C ATOM 495 O ILE A 48 -14.415 -3.773 5.137 1.00 0.00 O ATOM 496 CB ILE A 48 -14.964 -6.543 4.074 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.315 -7.683 4.857 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.759 -7.095 2.906 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.323 -8.666 5.421 1.00 0.00 C ATOM 0 H ILE A 48 -12.475 -5.561 5.105 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.807 -5.602 2.493 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.639 -6.018 4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.622 -8.216 4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.727 -7.266 5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.494 -7.812 3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.271 -6.279 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.084 -7.591 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.799 -9.452 5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -16.000 -8.145 6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.895 -9.109 4.606 1.00 0.00 H new ATOM 511 N ILE A 49 -14.871 -3.372 2.972 1.00 0.00 N ATOM 512 CA ILE A 49 -15.409 -2.060 3.227 1.00 0.00 C ATOM 513 C ILE A 49 -16.712 -2.210 3.984 1.00 0.00 C ATOM 514 O ILE A 49 -17.784 -2.338 3.394 1.00 0.00 O ATOM 515 CB ILE A 49 -15.636 -1.296 1.917 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.320 -1.193 1.154 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.208 0.080 2.193 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.457 -0.506 -0.178 1.00 0.00 C ATOM 0 H ILE A 49 -14.878 -3.650 1.991 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.698 -1.487 3.822 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.357 -1.839 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.597 -0.650 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.918 -2.194 0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.362 0.606 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.161 -0.020 2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.513 0.645 2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.484 -0.466 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.156 -1.061 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.830 0.507 -0.028 1.00 0.00 H new ATOM 530 N ALA A 50 -16.592 -2.239 5.296 1.00 0.00 N ATOM 531 CA ALA A 50 -17.732 -2.421 6.169 1.00 0.00 C ATOM 532 C ALA A 50 -18.451 -1.108 6.452 1.00 0.00 C ATOM 533 O ALA A 50 -19.587 -1.107 6.925 1.00 0.00 O ATOM 534 CB ALA A 50 -17.261 -3.069 7.454 1.00 0.00 C ATOM 0 H ALA A 50 -15.703 -2.137 5.785 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.455 -3.067 5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.110 -3.212 8.122 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.809 -4.035 7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.524 -2.427 7.937 1.00 0.00 H new ATOM 540 N ASN A 51 -17.793 0.009 6.163 1.00 0.00 N ATOM 541 CA ASN A 51 -18.404 1.313 6.396 1.00 0.00 C ATOM 542 C ASN A 51 -17.822 2.382 5.476 1.00 0.00 C ATOM 543 O ASN A 51 -16.721 2.233 4.945 1.00 0.00 O ATOM 544 CB ASN A 51 -18.225 1.725 7.860 1.00 0.00 C ATOM 545 CG ASN A 51 -19.546 1.923 8.577 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.614 1.671 8.019 1.00 0.00 O ATOM 547 ND2 ASN A 51 -19.478 2.379 9.822 1.00 0.00 N ATOM 0 H ASN A 51 -16.851 0.040 5.773 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.467 1.225 6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.645 0.962 8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.649 2.649 7.905 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.333 2.534 10.356 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.571 2.574 10.245 1.00 0.00 H new ATOM 554 N MET A 52 -18.579 3.461 5.297 1.00 0.00 N ATOM 555 CA MET A 52 -18.158 4.567 4.445 1.00 0.00 C ATOM 556 C MET A 52 -18.728 5.887 4.960 1.00 0.00 C ATOM 557 O MET A 52 -19.890 5.961 5.357 1.00 0.00 O ATOM 558 CB MET A 52 -18.606 4.324 3.004 1.00 0.00 C ATOM 559 CG MET A 52 -18.080 5.353 2.017 1.00 0.00 C ATOM 560 SD MET A 52 -17.648 4.629 0.424 1.00 0.00 S ATOM 561 CE MET A 52 -18.980 3.448 0.216 1.00 0.00 C ATOM 0 H MET A 52 -19.492 3.592 5.733 1.00 0.00 H new ATOM 0 HA MET A 52 -17.070 4.628 4.469 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.275 3.333 2.693 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.695 4.323 2.967 1.00 0.00 H new ATOM 0 HG2 MET A 52 -18.834 6.126 1.868 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.202 5.841 2.440 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.330 3.472 -0.816 1.00 0.00 H new ATOM 0 HE2 MET A 52 -18.619 2.447 0.454 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.802 3.705 0.884 1.00 0.00 H new ATOM 571 N MET A 53 -17.896 6.926 4.957 1.00 0.00 N ATOM 572 CA MET A 53 -18.310 8.244 5.432 1.00 0.00 C ATOM 573 C MET A 53 -19.583 8.713 4.731 1.00 0.00 C ATOM 574 O MET A 53 -20.328 9.535 5.264 1.00 0.00 O ATOM 575 CB MET A 53 -17.186 9.260 5.210 1.00 0.00 C ATOM 576 CG MET A 53 -16.866 10.101 6.436 1.00 0.00 C ATOM 577 SD MET A 53 -15.671 9.307 7.531 1.00 0.00 S ATOM 578 CE MET A 53 -14.182 10.232 7.151 1.00 0.00 C ATOM 0 H MET A 53 -16.931 6.881 4.631 1.00 0.00 H new ATOM 0 HA MET A 53 -18.521 8.165 6.499 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.286 8.729 4.900 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.464 9.922 4.390 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.475 11.067 6.117 1.00 0.00 H new ATOM 0 HG3 MET A 53 -17.785 10.296 6.988 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.308 9.657 7.458 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.134 10.420 6.078 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.198 11.182 7.685 1.00 0.00 H new ATOM 588 N HIS A 54 -19.825 8.190 3.534 1.00 0.00 N ATOM 589 CA HIS A 54 -21.004 8.561 2.765 1.00 0.00 C ATOM 590 C HIS A 54 -20.996 10.057 2.463 1.00 0.00 C ATOM 591 O HIS A 54 -22.004 10.743 2.631 1.00 0.00 O ATOM 592 CB HIS A 54 -22.277 8.186 3.527 1.00 0.00 C ATOM 593 CG HIS A 54 -22.755 6.795 3.243 1.00 0.00 C ATOM 594 ND1 HIS A 54 -22.964 5.855 4.228 1.00 0.00 N ATOM 595 CD2 HIS A 54 -23.068 6.188 2.073 1.00 0.00 C ATOM 596 CE1 HIS A 54 -23.383 4.728 3.678 1.00 0.00 C ATOM 597 NE2 HIS A 54 -23.455 4.905 2.372 1.00 0.00 N ATOM 0 H HIS A 54 -19.220 7.508 3.077 1.00 0.00 H new ATOM 0 HA HIS A 54 -20.985 8.014 1.822 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.094 8.288 4.597 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.066 8.893 3.270 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -23.022 6.631 1.089 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -23.625 3.818 4.207 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.750 4.202 1.694 1.00 0.00 H new ATOM 606 N GLY A 55 -19.848 10.551 2.018 1.00 0.00 N ATOM 607 CA GLY A 55 -19.717 11.960 1.700 1.00 0.00 C ATOM 608 C GLY A 55 -18.328 12.304 1.202 1.00 0.00 C ATOM 609 O GLY A 55 -18.170 13.116 0.291 1.00 0.00 O ATOM 0 H GLY A 55 -19.003 9.999 1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.451 12.230 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.942 12.554 2.586 1.00 0.00 H new ATOM 613 N GLY A 56 -17.322 11.675 1.799 1.00 0.00 N ATOM 614 CA GLY A 56 -15.953 11.923 1.395 1.00 0.00 C ATOM 615 C GLY A 56 -15.705 11.518 -0.045 1.00 0.00 C ATOM 616 O GLY A 56 -16.640 11.143 -0.753 1.00 0.00 O ATOM 0 H GLY A 56 -17.431 10.999 2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.724 12.982 1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.276 11.372 2.048 1.00 0.00 H new ATOM 620 N PRO A 57 -14.449 11.579 -0.513 1.00 0.00 N ATOM 621 CA PRO A 57 -14.106 11.209 -1.888 1.00 0.00 C ATOM 622 C PRO A 57 -14.594 9.811 -2.250 1.00 0.00 C ATOM 623 O PRO A 57 -14.800 9.501 -3.424 1.00 0.00 O ATOM 624 CB PRO A 57 -12.577 11.261 -1.903 1.00 0.00 C ATOM 625 CG PRO A 57 -12.216 12.195 -0.801 1.00 0.00 C ATOM 626 CD PRO A 57 -13.269 12.014 0.256 1.00 0.00 C ATOM 0 HA PRO A 57 -14.574 11.872 -2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.146 10.273 -1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.203 11.618 -2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.225 11.970 -0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.191 13.226 -1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -12.973 11.269 0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.460 12.941 0.796 1.00 0.00 H new ATOM 634 N ALA A 58 -14.781 8.969 -1.237 1.00 0.00 N ATOM 635 CA ALA A 58 -15.245 7.611 -1.457 1.00 0.00 C ATOM 636 C ALA A 58 -16.665 7.609 -2.009 1.00 0.00 C ATOM 637 O ALA A 58 -16.956 6.945 -3.003 1.00 0.00 O ATOM 638 CB ALA A 58 -15.175 6.812 -0.164 1.00 0.00 C ATOM 0 H ALA A 58 -14.617 9.207 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.593 7.140 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.526 5.796 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.145 6.782 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.804 7.285 0.590 1.00 0.00 H new ATOM 644 N GLU A 59 -17.541 8.366 -1.357 1.00 0.00 N ATOM 645 CA GLU A 59 -18.930 8.464 -1.782 1.00 0.00 C ATOM 646 C GLU A 59 -19.055 9.382 -2.994 1.00 0.00 C ATOM 647 O GLU A 59 -19.831 9.115 -3.912 1.00 0.00 O ATOM 648 CB GLU A 59 -19.799 8.987 -0.638 1.00 0.00 C ATOM 649 CG GLU A 59 -21.289 8.780 -0.860 1.00 0.00 C ATOM 650 CD GLU A 59 -22.061 10.084 -0.906 1.00 0.00 C ATOM 651 OE1 GLU A 59 -21.640 10.997 -1.645 1.00 0.00 O ATOM 652 OE2 GLU A 59 -23.088 10.191 -0.202 1.00 0.00 O ATOM 0 H GLU A 59 -17.312 8.920 -0.532 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.275 7.468 -2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.506 8.490 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -19.605 10.051 -0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.441 8.239 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.688 8.155 -0.061 1.00 0.00 H new ATOM 659 N LYS A 60 -18.283 10.465 -2.987 1.00 0.00 N ATOM 660 CA LYS A 60 -18.299 11.429 -4.078 1.00 0.00 C ATOM 661 C LYS A 60 -18.006 10.749 -5.413 1.00 0.00 C ATOM 662 O LYS A 60 -18.705 10.971 -6.402 1.00 0.00 O ATOM 663 CB LYS A 60 -17.277 12.538 -3.824 1.00 0.00 C ATOM 664 CG LYS A 60 -17.692 13.506 -2.728 1.00 0.00 C ATOM 665 CD LYS A 60 -17.153 14.904 -2.987 1.00 0.00 C ATOM 666 CE LYS A 60 -17.505 15.858 -1.857 1.00 0.00 C ATOM 667 NZ LYS A 60 -18.120 17.117 -2.363 1.00 0.00 N ATOM 0 H LYS A 60 -17.636 10.696 -2.233 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.296 11.867 -4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.322 12.086 -3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.119 13.094 -4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -18.780 13.540 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -17.327 13.146 -1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.070 14.861 -3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.560 15.284 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.195 15.368 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.605 16.096 -1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.345 17.740 -1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.452 17.598 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.992 16.893 -2.883 1.00 0.00 H new ATOM 681 N SER A 61 -16.969 9.918 -5.431 1.00 0.00 N ATOM 682 CA SER A 61 -16.582 9.204 -6.643 1.00 0.00 C ATOM 683 C SER A 61 -17.668 8.220 -7.061 1.00 0.00 C ATOM 684 O SER A 61 -18.275 8.363 -8.122 1.00 0.00 O ATOM 685 CB SER A 61 -15.263 8.461 -6.422 1.00 0.00 C ATOM 686 OG SER A 61 -14.731 7.991 -7.648 1.00 0.00 O ATOM 0 H SER A 61 -16.382 9.722 -4.620 1.00 0.00 H new ATOM 0 HA SER A 61 -16.450 9.935 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.544 9.124 -5.941 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.424 7.621 -5.746 1.00 0.00 H new ATOM 0 HG SER A 61 -13.816 8.325 -7.757 1.00 0.00 H new ATOM 692 N GLY A 62 -17.904 7.218 -6.222 1.00 0.00 N ATOM 693 CA GLY A 62 -18.912 6.218 -6.522 1.00 0.00 C ATOM 694 C GLY A 62 -18.297 4.873 -6.846 1.00 0.00 C ATOM 695 O GLY A 62 -18.938 3.834 -6.685 1.00 0.00 O ATOM 0 H GLY A 62 -17.414 7.080 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.584 6.114 -5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.516 6.553 -7.365 1.00 0.00 H new ATOM 699 N LYS A 63 -17.049 4.895 -7.298 1.00 0.00 N ATOM 700 CA LYS A 63 -16.334 3.676 -7.644 1.00 0.00 C ATOM 701 C LYS A 63 -16.256 2.731 -6.448 1.00 0.00 C ATOM 702 O LYS A 63 -16.136 1.517 -6.612 1.00 0.00 O ATOM 703 CB LYS A 63 -14.934 4.019 -8.138 1.00 0.00 C ATOM 704 CG LYS A 63 -14.940 4.836 -9.417 1.00 0.00 C ATOM 705 CD LYS A 63 -13.543 4.996 -9.978 1.00 0.00 C ATOM 706 CE LYS A 63 -13.076 3.732 -10.684 1.00 0.00 C ATOM 707 NZ LYS A 63 -12.731 3.988 -12.111 1.00 0.00 N ATOM 0 H LYS A 63 -16.510 5.750 -7.434 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.880 3.169 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.406 4.573 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.378 3.097 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.577 4.352 -10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.369 5.818 -9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.524 5.832 -10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.852 5.240 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.206 3.328 -10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.859 2.975 -10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.417 3.102 -12.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.568 4.350 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.966 4.691 -12.163 1.00 0.00 H new ATOM 721 N LEU A 64 -16.329 3.298 -5.246 1.00 0.00 N ATOM 722 CA LEU A 64 -16.271 2.504 -4.024 1.00 0.00 C ATOM 723 C LEU A 64 -17.655 2.349 -3.408 1.00 0.00 C ATOM 724 O LEU A 64 -18.390 3.324 -3.248 1.00 0.00 O ATOM 725 CB LEU A 64 -15.323 3.148 -3.010 1.00 0.00 C ATOM 726 CG LEU A 64 -13.835 2.989 -3.319 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.990 3.517 -2.169 1.00 0.00 C ATOM 728 CD2 LEU A 64 -13.497 1.533 -3.604 1.00 0.00 C ATOM 0 H LEU A 64 -16.428 4.302 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.894 1.515 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.553 4.212 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.522 2.719 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.608 3.574 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.934 3.395 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.207 4.574 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.223 2.961 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.433 1.442 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.742 0.925 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.073 1.187 -4.462 1.00 0.00 H new ATOM 740 N ASN A 65 -17.999 1.117 -3.063 1.00 0.00 N ATOM 741 CA ASN A 65 -19.292 0.822 -2.456 1.00 0.00 C ATOM 742 C ASN A 65 -19.152 -0.283 -1.419 1.00 0.00 C ATOM 743 O ASN A 65 -18.501 -1.298 -1.668 1.00 0.00 O ATOM 744 CB ASN A 65 -20.303 0.412 -3.529 1.00 0.00 C ATOM 745 CG ASN A 65 -19.894 -0.852 -4.258 1.00 0.00 C ATOM 746 OD1 ASN A 65 -18.847 -0.757 -5.069 1.00 0.00 O flip ATOM 747 ND2 ASN A 65 -20.511 -1.905 -4.092 1.00 0.00 N flip ATOM 0 H ASN A 65 -17.400 0.302 -3.193 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.654 1.723 -1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -21.278 0.261 -3.066 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.413 1.223 -4.249 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -21.310 -1.933 -3.459 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -20.223 -2.749 -4.587 1.00 0.00 H new ATOM 754 N ILE A 66 -19.756 -0.082 -0.252 1.00 0.00 N ATOM 755 CA ILE A 66 -19.690 -1.059 0.823 1.00 0.00 C ATOM 756 C ILE A 66 -19.925 -2.480 0.317 1.00 0.00 C ATOM 757 O ILE A 66 -20.739 -2.708 -0.579 1.00 0.00 O ATOM 758 CB ILE A 66 -20.700 -0.714 1.924 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.286 0.601 2.570 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.792 -1.826 2.963 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.020 0.498 3.385 1.00 0.00 C ATOM 0 H ILE A 66 -20.298 0.753 -0.029 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.683 -1.019 1.237 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.691 -0.611 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.148 1.352 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.094 0.952 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.517 -1.549 3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.110 -2.750 2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.816 -1.975 3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -18.784 1.471 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.161 -0.229 4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.199 0.177 2.743 1.00 0.00 H new ATOM 773 N GLY A 67 -19.199 -3.424 0.898 1.00 0.00 N ATOM 774 CA GLY A 67 -19.327 -4.814 0.499 1.00 0.00 C ATOM 775 C GLY A 67 -18.269 -5.234 -0.507 1.00 0.00 C ATOM 776 O GLY A 67 -18.384 -6.293 -1.126 1.00 0.00 O ATOM 0 H GLY A 67 -18.521 -3.253 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.256 -5.449 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.316 -4.975 0.069 1.00 0.00 H new ATOM 780 N ASP A 68 -17.236 -4.410 -0.672 1.00 0.00 N ATOM 781 CA ASP A 68 -16.160 -4.712 -1.612 1.00 0.00 C ATOM 782 C ASP A 68 -14.922 -5.219 -0.877 1.00 0.00 C ATOM 783 O ASP A 68 -14.787 -5.032 0.333 1.00 0.00 O ATOM 784 CB ASP A 68 -15.804 -3.472 -2.432 1.00 0.00 C ATOM 785 CG ASP A 68 -16.981 -2.945 -3.228 1.00 0.00 C ATOM 786 OD1 ASP A 68 -17.934 -3.719 -3.464 1.00 0.00 O ATOM 787 OD2 ASP A 68 -16.952 -1.759 -3.617 1.00 0.00 O ATOM 0 H ASP A 68 -17.122 -3.530 -0.168 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.511 -5.495 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.442 -2.690 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.988 -3.713 -3.113 1.00 0.00 H new ATOM 792 N GLN A 69 -14.020 -5.860 -1.614 1.00 0.00 N ATOM 793 CA GLN A 69 -12.793 -6.393 -1.026 1.00 0.00 C ATOM 794 C GLN A 69 -11.560 -5.754 -1.659 1.00 0.00 C ATOM 795 O GLN A 69 -11.116 -6.168 -2.730 1.00 0.00 O ATOM 796 CB GLN A 69 -12.735 -7.912 -1.196 1.00 0.00 C ATOM 797 CG GLN A 69 -13.469 -8.676 -0.106 1.00 0.00 C ATOM 798 CD GLN A 69 -12.568 -9.067 1.046 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.856 -8.765 2.203 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.468 -9.743 0.734 1.00 0.00 N ATOM 0 H GLN A 69 -14.114 -6.023 -2.616 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.800 -6.153 0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.161 -8.177 -2.164 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.692 -8.228 -1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.288 -8.064 0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.913 -9.574 -0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.269 -9.972 -0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.822 -10.033 1.468 1.00 0.00 H new ATOM 809 N ILE A 70 -11.006 -4.748 -0.987 1.00 0.00 N ATOM 810 CA ILE A 70 -9.817 -4.062 -1.481 1.00 0.00 C ATOM 811 C ILE A 70 -8.588 -4.954 -1.347 1.00 0.00 C ATOM 812 O ILE A 70 -8.476 -5.710 -0.387 1.00 0.00 O ATOM 813 CB ILE A 70 -9.567 -2.749 -0.713 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.857 -1.926 -0.629 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.453 -1.947 -1.372 1.00 0.00 C ATOM 816 CD1 ILE A 70 -11.107 -1.337 0.742 1.00 0.00 C ATOM 0 H ILE A 70 -11.361 -4.391 -0.100 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.991 -3.831 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.252 -2.994 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.812 -1.119 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.701 -2.559 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.291 -1.024 -0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.535 -2.534 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.734 -1.708 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -12.036 -0.767 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.184 -2.140 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.281 -0.678 1.011 1.00 0.00 H new ATOM 828 N MET A 71 -7.676 -4.874 -2.310 1.00 0.00 N ATOM 829 CA MET A 71 -6.468 -5.695 -2.275 1.00 0.00 C ATOM 830 C MET A 71 -5.226 -4.864 -1.977 1.00 0.00 C ATOM 831 O MET A 71 -4.622 -4.994 -0.914 1.00 0.00 O ATOM 832 CB MET A 71 -6.283 -6.428 -3.603 1.00 0.00 C ATOM 833 CG MET A 71 -7.361 -7.458 -3.885 1.00 0.00 C ATOM 834 SD MET A 71 -7.516 -8.676 -2.568 1.00 0.00 S ATOM 835 CE MET A 71 -9.290 -8.916 -2.536 1.00 0.00 C ATOM 0 H MET A 71 -7.747 -4.256 -3.118 1.00 0.00 H new ATOM 0 HA MET A 71 -6.594 -6.419 -1.470 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.269 -5.698 -4.412 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.311 -6.922 -3.603 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.316 -6.951 -4.020 1.00 0.00 H new ATOM 0 HG3 MET A 71 -7.135 -7.968 -4.822 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.536 -9.721 -1.844 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.776 -7.996 -2.210 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.640 -9.177 -3.535 1.00 0.00 H new ATOM 845 N SER A 72 -4.838 -4.023 -2.928 1.00 0.00 N ATOM 846 CA SER A 72 -3.654 -3.189 -2.767 1.00 0.00 C ATOM 847 C SER A 72 -3.992 -1.712 -2.918 1.00 0.00 C ATOM 848 O SER A 72 -4.814 -1.332 -3.752 1.00 0.00 O ATOM 849 CB SER A 72 -2.588 -3.585 -3.789 1.00 0.00 C ATOM 850 OG SER A 72 -1.284 -3.445 -3.247 1.00 0.00 O ATOM 0 H SER A 72 -5.324 -3.901 -3.816 1.00 0.00 H new ATOM 0 HA SER A 72 -3.267 -3.348 -1.760 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.746 -4.617 -4.103 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.684 -2.963 -4.679 1.00 0.00 H new ATOM 0 HG SER A 72 -0.620 -3.550 -3.960 1.00 0.00 H new ATOM 856 N ILE A 73 -3.347 -0.882 -2.105 1.00 0.00 N ATOM 857 CA ILE A 73 -3.567 0.551 -2.143 1.00 0.00 C ATOM 858 C ILE A 73 -2.300 1.282 -2.579 1.00 0.00 C ATOM 859 O ILE A 73 -1.337 1.385 -1.821 1.00 0.00 O ATOM 860 CB ILE A 73 -4.018 1.073 -0.768 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.331 0.408 -0.358 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.170 2.583 -0.797 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.287 -0.208 1.023 1.00 0.00 C ATOM 0 H ILE A 73 -2.665 -1.184 -1.410 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.356 0.746 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.256 0.821 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.131 1.148 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.581 -0.365 -1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.490 2.935 0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.214 3.040 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.916 2.859 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.252 -0.662 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.510 -0.971 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.068 0.565 1.759 1.00 0.00 H new ATOM 875 N ASN A 74 -2.312 1.786 -3.808 1.00 0.00 N ATOM 876 CA ASN A 74 -1.167 2.507 -4.353 1.00 0.00 C ATOM 877 C ASN A 74 0.087 1.636 -4.345 1.00 0.00 C ATOM 878 O ASN A 74 1.206 2.145 -4.296 1.00 0.00 O ATOM 879 CB ASN A 74 -0.915 3.789 -3.554 1.00 0.00 C ATOM 880 CG ASN A 74 -2.069 4.768 -3.652 1.00 0.00 C ATOM 881 OD1 ASN A 74 -2.410 5.236 -4.738 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.673 5.086 -2.513 1.00 0.00 N ATOM 0 H ASN A 74 -3.103 1.708 -4.447 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.397 2.768 -5.386 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.746 3.534 -2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.005 4.267 -3.917 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.453 5.743 -2.516 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.357 4.673 -1.635 1.00 0.00 H new ATOM 889 N GLY A 75 -0.107 0.321 -4.397 1.00 0.00 N ATOM 890 CA GLY A 75 1.020 -0.595 -4.399 1.00 0.00 C ATOM 891 C GLY A 75 1.066 -1.469 -3.159 1.00 0.00 C ATOM 892 O GLY A 75 1.442 -2.638 -3.230 1.00 0.00 O ATOM 0 H GLY A 75 -1.023 -0.126 -4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.966 -1.229 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.946 -0.025 -4.471 1.00 0.00 H new ATOM 896 N THR A 76 0.686 -0.900 -2.019 1.00 0.00 N ATOM 897 CA THR A 76 0.691 -1.636 -0.761 1.00 0.00 C ATOM 898 C THR A 76 -0.366 -2.736 -0.765 1.00 0.00 C ATOM 899 O THR A 76 -1.563 -2.460 -0.685 1.00 0.00 O ATOM 900 CB THR A 76 0.447 -0.684 0.406 1.00 0.00 C ATOM 901 OG1 THR A 76 1.150 0.531 0.220 1.00 0.00 O ATOM 902 CG2 THR A 76 0.862 -1.258 1.742 1.00 0.00 C ATOM 0 H THR A 76 0.371 0.067 -1.941 1.00 0.00 H new ATOM 0 HA THR A 76 1.670 -2.102 -0.646 1.00 0.00 H new ATOM 0 HB THR A 76 -0.630 -0.516 0.421 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.978 1.128 0.978 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.662 -0.530 2.529 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.297 -2.169 1.938 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.927 -1.489 1.724 1.00 0.00 H new ATOM 910 N SER A 77 0.084 -3.983 -0.859 1.00 0.00 N ATOM 911 CA SER A 77 -0.822 -5.126 -0.876 1.00 0.00 C ATOM 912 C SER A 77 -1.423 -5.371 0.506 1.00 0.00 C ATOM 913 O SER A 77 -0.791 -5.099 1.526 1.00 0.00 O ATOM 914 CB SER A 77 -0.085 -6.380 -1.353 1.00 0.00 C ATOM 915 OG SER A 77 -0.825 -7.551 -1.052 1.00 0.00 O ATOM 0 H SER A 77 1.072 -4.228 -0.925 1.00 0.00 H new ATOM 0 HA SER A 77 -1.633 -4.902 -1.569 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.085 -6.319 -2.428 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.895 -6.433 -0.878 1.00 0.00 H new ATOM 0 HG SER A 77 -0.334 -8.338 -1.368 1.00 0.00 H new ATOM 921 N LEU A 78 -2.651 -5.882 0.529 1.00 0.00 N ATOM 922 CA LEU A 78 -3.342 -6.161 1.785 1.00 0.00 C ATOM 923 C LEU A 78 -3.665 -7.649 1.929 1.00 0.00 C ATOM 924 O LEU A 78 -4.042 -8.106 3.008 1.00 0.00 O ATOM 925 CB LEU A 78 -4.635 -5.346 1.870 1.00 0.00 C ATOM 926 CG LEU A 78 -4.460 -3.832 1.744 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.791 -3.127 1.952 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.427 -3.331 2.743 1.00 0.00 C ATOM 0 H LEU A 78 -3.188 -6.111 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.675 -5.875 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.311 -5.684 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.120 -5.562 2.822 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.103 -3.606 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.651 -2.050 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.504 -3.466 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.174 -3.359 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.315 -2.252 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.756 -3.567 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.470 -3.815 2.550 1.00 0.00 H new ATOM 940 N VAL A 79 -3.523 -8.400 0.840 1.00 0.00 N ATOM 941 CA VAL A 79 -3.809 -9.829 0.860 1.00 0.00 C ATOM 942 C VAL A 79 -2.773 -10.595 1.673 1.00 0.00 C ATOM 943 O VAL A 79 -1.669 -10.859 1.195 1.00 0.00 O ATOM 944 CB VAL A 79 -3.848 -10.412 -0.566 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.405 -11.829 -0.549 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.664 -9.521 -1.488 1.00 0.00 C ATOM 0 H VAL A 79 -3.213 -8.043 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.788 -9.943 1.326 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.828 -10.451 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.425 -12.224 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.772 -12.461 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.417 -11.817 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.679 -9.951 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.684 -9.444 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.215 -8.528 -1.526 1.00 0.00 H new ATOM 956 N GLY A 80 -3.132 -10.962 2.901 1.00 0.00 N ATOM 957 CA GLY A 80 -2.215 -11.706 3.747 1.00 0.00 C ATOM 958 C GLY A 80 -1.999 -11.066 5.106 1.00 0.00 C ATOM 959 O GLY A 80 -1.561 -11.731 6.044 1.00 0.00 O ATOM 0 H GLY A 80 -4.038 -10.758 3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.599 -12.717 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.255 -11.796 3.239 1.00 0.00 H new ATOM 963 N LEU A 81 -2.294 -9.774 5.219 1.00 0.00 N ATOM 964 CA LEU A 81 -2.116 -9.063 6.481 1.00 0.00 C ATOM 965 C LEU A 81 -3.452 -8.820 7.177 1.00 0.00 C ATOM 966 O LEU A 81 -4.506 -8.825 6.540 1.00 0.00 O ATOM 967 CB LEU A 81 -1.397 -7.731 6.252 1.00 0.00 C ATOM 968 CG LEU A 81 -1.853 -6.950 5.018 1.00 0.00 C ATOM 969 CD1 LEU A 81 -1.998 -5.472 5.349 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.873 -7.149 3.870 1.00 0.00 C ATOM 0 H LEU A 81 -2.655 -9.201 4.457 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.504 -9.691 7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.538 -7.104 7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.328 -7.923 6.166 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.826 -7.330 4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.323 -4.930 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.737 -5.347 6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.038 -5.078 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.212 -6.587 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.114 -6.795 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.818 -8.208 3.618 1.00 0.00 H new ATOM 982 N PRO A 82 -3.422 -8.600 8.502 1.00 0.00 N ATOM 983 CA PRO A 82 -4.631 -8.352 9.298 1.00 0.00 C ATOM 984 C PRO A 82 -5.286 -7.018 8.954 1.00 0.00 C ATOM 985 O PRO A 82 -4.888 -6.349 8.001 1.00 0.00 O ATOM 986 CB PRO A 82 -4.115 -8.335 10.739 1.00 0.00 C ATOM 987 CG PRO A 82 -2.681 -7.953 10.614 1.00 0.00 C ATOM 988 CD PRO A 82 -2.205 -8.578 9.336 1.00 0.00 C ATOM 0 HA PRO A 82 -5.398 -9.104 9.115 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.665 -7.619 11.350 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.227 -9.310 11.213 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.565 -6.869 10.587 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.104 -8.314 11.465 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.409 -7.994 8.873 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.810 -9.581 9.500 1.00 0.00 H new ATOM 996 N LEU A 83 -6.290 -6.637 9.737 1.00 0.00 N ATOM 997 CA LEU A 83 -6.998 -5.383 9.515 1.00 0.00 C ATOM 998 C LEU A 83 -6.193 -4.197 10.036 1.00 0.00 C ATOM 999 O LEU A 83 -6.083 -3.170 9.369 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.375 -5.423 10.189 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.046 -4.062 10.390 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.159 -3.322 9.066 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -10.414 -4.229 11.032 1.00 0.00 C ATOM 0 H LEU A 83 -6.631 -7.179 10.531 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.131 -5.257 8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.036 -6.050 9.591 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.271 -5.905 11.161 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.425 -3.468 11.061 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.638 -2.357 9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.164 -3.167 8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.756 -3.911 8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.875 -3.250 11.167 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.045 -4.842 10.389 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.304 -4.715 12.002 1.00 0.00 H new ATOM 1015 N SER A 84 -5.631 -4.342 11.232 1.00 0.00 N ATOM 1016 CA SER A 84 -4.837 -3.275 11.833 1.00 0.00 C ATOM 1017 C SER A 84 -3.744 -2.820 10.872 1.00 0.00 C ATOM 1018 O SER A 84 -3.480 -1.626 10.729 1.00 0.00 O ATOM 1019 CB SER A 84 -4.216 -3.749 13.149 1.00 0.00 C ATOM 1020 OG SER A 84 -4.868 -3.161 14.262 1.00 0.00 O ATOM 0 H SER A 84 -5.710 -5.184 11.802 1.00 0.00 H new ATOM 0 HA SER A 84 -5.495 -2.431 12.040 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.283 -4.835 13.216 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.157 -3.494 13.168 1.00 0.00 H new ATOM 0 HG SER A 84 -4.454 -3.481 15.090 1.00 0.00 H new ATOM 1026 N THR A 85 -3.123 -3.785 10.204 1.00 0.00 N ATOM 1027 CA THR A 85 -2.070 -3.490 9.248 1.00 0.00 C ATOM 1028 C THR A 85 -2.618 -2.690 8.072 1.00 0.00 C ATOM 1029 O THR A 85 -2.094 -1.628 7.739 1.00 0.00 O ATOM 1030 CB THR A 85 -1.427 -4.781 8.748 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.950 -5.557 9.831 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.267 -4.547 7.803 1.00 0.00 C ATOM 0 H THR A 85 -3.333 -4.778 10.309 1.00 0.00 H new ATOM 0 HA THR A 85 -1.312 -2.891 9.752 1.00 0.00 H new ATOM 0 HB THR A 85 -2.215 -5.303 8.206 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.282 -6.196 9.506 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.143 -5.506 7.486 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.615 -3.995 6.930 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.506 -3.972 8.312 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.681 -3.201 7.451 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.299 -2.527 6.312 1.00 0.00 C ATOM 1042 C CYS A 86 -4.715 -1.109 6.682 1.00 0.00 C ATOM 1043 O CYS A 86 -4.390 -0.151 5.976 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.509 -3.320 5.818 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.145 -5.046 5.420 1.00 0.00 S ATOM 0 H CYS A 86 -4.130 -4.077 7.717 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.563 -2.470 5.510 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.286 -3.290 6.582 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.914 -2.831 4.932 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.319 -5.781 6.478 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.429 -0.974 7.798 1.00 0.00 N ATOM 1052 CA GLN A 87 -5.872 0.336 8.259 1.00 0.00 C ATOM 1053 C GLN A 87 -4.697 1.304 8.281 1.00 0.00 C ATOM 1054 O GLN A 87 -4.813 2.453 7.855 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.495 0.231 9.651 1.00 0.00 C ATOM 1056 CG GLN A 87 -7.988 -0.046 9.628 1.00 0.00 C ATOM 1057 CD GLN A 87 -8.546 -0.338 11.005 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -9.511 0.288 11.445 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -7.938 -1.293 11.697 1.00 0.00 N ATOM 0 H GLN A 87 -5.711 -1.752 8.395 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.628 0.711 7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.995 -0.563 10.205 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.314 1.160 10.192 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.507 0.814 9.204 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.187 -0.893 8.972 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.142 -1.787 11.294 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.267 -1.534 12.632 1.00 0.00 H new ATOM 1068 N SER A 88 -3.560 0.819 8.767 1.00 0.00 N ATOM 1069 CA SER A 88 -2.354 1.625 8.832 1.00 0.00 C ATOM 1070 C SER A 88 -1.931 2.062 7.431 1.00 0.00 C ATOM 1071 O SER A 88 -1.452 3.181 7.232 1.00 0.00 O ATOM 1072 CB SER A 88 -1.223 0.836 9.497 1.00 0.00 C ATOM 1073 OG SER A 88 -1.165 1.100 10.888 1.00 0.00 O ATOM 0 H SER A 88 -3.452 -0.131 9.122 1.00 0.00 H new ATOM 0 HA SER A 88 -2.563 2.513 9.429 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.374 -0.231 9.332 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.272 1.098 9.034 1.00 0.00 H new ATOM 0 HG SER A 88 -0.436 0.583 11.289 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.114 1.167 6.465 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.754 1.444 5.080 1.00 0.00 C ATOM 1081 C ILE A 89 -2.495 2.663 4.540 1.00 0.00 C ATOM 1082 O ILE A 89 -1.888 3.559 3.953 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.068 0.240 4.170 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.501 -1.050 4.767 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.518 0.472 2.772 1.00 0.00 C ATOM 1086 CD1 ILE A 89 0.009 -1.119 4.753 1.00 0.00 C ATOM 0 H ILE A 89 -2.511 0.240 6.618 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.682 1.641 5.073 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.151 0.135 4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.850 -1.147 5.795 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.899 -1.901 4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.749 -0.388 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.973 1.366 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.437 0.604 2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.334 -2.062 5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.367 -1.055 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.416 -0.290 5.331 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.812 2.685 4.724 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.632 3.777 4.241 1.00 0.00 C ATOM 1100 C ILE A 90 -4.373 5.070 5.007 1.00 0.00 C ATOM 1101 O ILE A 90 -4.147 6.118 4.405 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.121 3.419 4.340 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.384 2.038 3.729 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -6.948 4.472 3.640 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.711 1.437 4.138 1.00 0.00 C ATOM 0 H ILE A 90 -4.331 1.952 5.208 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.360 3.938 3.198 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.406 3.386 5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.351 2.118 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.582 1.361 4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.004 4.213 3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.778 5.440 4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.659 4.523 2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.829 0.461 3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.741 1.324 5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.521 2.093 3.819 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.407 5.003 6.335 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.170 6.190 7.149 1.00 0.00 C ATOM 1119 C LYS A 91 -2.822 6.814 6.814 1.00 0.00 C ATOM 1120 O LYS A 91 -2.615 8.014 6.999 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.244 5.860 8.638 1.00 0.00 C ATOM 1122 CG LYS A 91 -3.368 4.691 9.041 1.00 0.00 C ATOM 1123 CD LYS A 91 -1.994 5.154 9.498 1.00 0.00 C ATOM 1124 CE LYS A 91 -1.529 4.389 10.727 1.00 0.00 C ATOM 1125 NZ LYS A 91 -0.499 5.143 11.494 1.00 0.00 N ATOM 0 H LYS A 91 -4.594 4.151 6.864 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.954 6.911 6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.951 6.739 9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.278 5.637 8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.851 4.134 9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.261 4.008 8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.275 5.018 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.024 6.220 9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.384 4.184 11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.121 3.425 10.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.208 4.588 12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.327 5.317 10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.896 6.052 11.807 1.00 0.00 H new ATOM 1139 N GLY A 92 -1.915 5.992 6.306 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.600 6.476 5.934 1.00 0.00 C ATOM 1141 C GLY A 92 -0.664 7.471 4.792 1.00 0.00 C ATOM 1142 O GLY A 92 -0.034 8.527 4.843 1.00 0.00 O ATOM 0 H GLY A 92 -2.066 4.996 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.128 6.945 6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.029 5.633 5.646 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.433 7.133 3.759 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.587 8.008 2.601 1.00 0.00 C ATOM 1148 C LEU A 93 -2.743 8.982 2.812 1.00 0.00 C ATOM 1149 O LEU A 93 -3.765 8.909 2.129 1.00 0.00 O ATOM 1150 CB LEU A 93 -1.814 7.187 1.331 1.00 0.00 C ATOM 1151 CG LEU A 93 -2.876 6.090 1.447 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -4.040 6.371 0.509 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.270 4.721 1.160 1.00 0.00 C ATOM 0 H LEU A 93 -1.958 6.260 3.701 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.667 8.581 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.100 7.864 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.869 6.727 1.041 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.254 6.086 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.784 5.581 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.492 7.329 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.679 6.405 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.041 3.956 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.860 4.709 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.474 4.518 1.877 1.00 0.00 H new ATOM 1165 N LYS A 94 -2.573 9.890 3.769 1.00 0.00 N ATOM 1166 CA LYS A 94 -3.600 10.878 4.082 1.00 0.00 C ATOM 1167 C LYS A 94 -3.464 12.119 3.203 1.00 0.00 C ATOM 1168 O LYS A 94 -4.460 12.674 2.740 1.00 0.00 O ATOM 1169 CB LYS A 94 -3.519 11.272 5.557 1.00 0.00 C ATOM 1170 CG LYS A 94 -4.875 11.348 6.237 1.00 0.00 C ATOM 1171 CD LYS A 94 -5.082 12.688 6.926 1.00 0.00 C ATOM 1172 CE LYS A 94 -5.984 13.605 6.115 1.00 0.00 C ATOM 1173 NZ LYS A 94 -7.153 14.077 6.907 1.00 0.00 N ATOM 0 H LYS A 94 -1.732 9.962 4.342 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.572 10.426 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.896 10.549 6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.024 12.240 5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.662 11.192 5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.961 10.545 6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.519 12.527 7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.117 13.171 7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.410 14.464 5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.335 13.077 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.008 14.048 6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.284 13.460 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.985 15.053 7.226 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.227 12.554 2.982 1.00 0.00 N ATOM 1188 CA ASN A 95 -1.968 13.735 2.165 1.00 0.00 C ATOM 1189 C ASN A 95 -1.816 13.367 0.691 1.00 0.00 C ATOM 1190 O ASN A 95 -0.852 13.765 0.037 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.710 14.453 2.657 1.00 0.00 C ATOM 1192 CG ASN A 95 -0.813 14.868 4.112 1.00 0.00 C ATOM 1193 OD1 ASN A 95 -1.209 15.991 4.424 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -0.454 13.960 5.014 1.00 0.00 N ATOM 0 H ASN A 95 -1.390 12.107 3.356 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.824 14.403 2.261 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.152 13.799 2.529 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.535 15.336 2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.501 14.183 6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.131 13.041 4.712 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.771 12.603 0.171 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.737 12.185 -1.223 1.00 0.00 C ATOM 1203 C GLN A 96 -3.754 12.949 -2.060 1.00 0.00 C ATOM 1204 O GLN A 96 -4.806 13.353 -1.567 1.00 0.00 O ATOM 1205 CB GLN A 96 -3.008 10.685 -1.329 1.00 0.00 C ATOM 1206 CG GLN A 96 -1.742 9.860 -1.389 1.00 0.00 C ATOM 1207 CD GLN A 96 -1.983 8.443 -1.868 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -3.092 8.089 -2.268 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -0.940 7.622 -1.826 1.00 0.00 N ATOM 0 H GLN A 96 -3.577 12.262 0.695 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.742 12.406 -1.611 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.602 10.367 -0.472 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.604 10.491 -2.220 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.029 10.347 -2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.286 9.831 -0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.039 7.959 -1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.040 6.654 -2.133 1.00 0.00 H new ATOM 1218 N SER A 97 -3.434 13.126 -3.336 1.00 0.00 N ATOM 1219 CA SER A 97 -4.323 13.824 -4.256 1.00 0.00 C ATOM 1220 C SER A 97 -5.243 12.831 -4.967 1.00 0.00 C ATOM 1221 O SER A 97 -6.180 13.224 -5.663 1.00 0.00 O ATOM 1222 CB SER A 97 -3.507 14.630 -5.271 1.00 0.00 C ATOM 1223 OG SER A 97 -3.274 13.885 -6.454 1.00 0.00 O ATOM 0 H SER A 97 -2.566 12.796 -3.757 1.00 0.00 H new ATOM 0 HA SER A 97 -4.944 14.515 -3.686 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.036 15.551 -5.517 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.554 14.919 -4.827 1.00 0.00 H new ATOM 0 HG SER A 97 -2.753 14.426 -7.084 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.975 11.540 -4.770 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.778 10.478 -5.368 1.00 0.00 C ATOM 1231 C ARG A 98 -5.450 9.147 -4.703 1.00 0.00 C ATOM 1232 O ARG A 98 -4.311 8.913 -4.296 1.00 0.00 O ATOM 1233 CB ARG A 98 -5.555 10.398 -6.882 1.00 0.00 C ATOM 1234 CG ARG A 98 -4.109 10.567 -7.298 1.00 0.00 C ATOM 1235 CD ARG A 98 -3.260 9.407 -6.818 1.00 0.00 C ATOM 1236 NE ARG A 98 -2.367 9.807 -5.736 1.00 0.00 N ATOM 1237 CZ ARG A 98 -1.189 9.236 -5.492 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -0.774 8.208 -6.224 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -0.424 9.690 -4.510 1.00 0.00 N ATOM 0 H ARG A 98 -4.201 11.205 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.831 10.707 -5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.917 9.435 -7.242 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.155 11.166 -7.369 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.047 10.641 -8.384 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.718 11.500 -6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.907 8.599 -6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.673 9.016 -7.649 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.663 10.571 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.359 7.851 -6.979 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.130 7.776 -6.031 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.738 10.477 -3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.478 9.253 -4.323 1.00 0.00 H new ATOM 1253 N VAL A 99 -6.450 8.285 -4.566 1.00 0.00 N ATOM 1254 CA VAL A 99 -6.251 6.992 -3.920 1.00 0.00 C ATOM 1255 C VAL A 99 -6.395 5.836 -4.904 1.00 0.00 C ATOM 1256 O VAL A 99 -7.505 5.468 -5.287 1.00 0.00 O ATOM 1257 CB VAL A 99 -7.242 6.783 -2.756 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.635 5.881 -1.694 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -7.660 8.118 -2.148 1.00 0.00 C ATOM 0 H VAL A 99 -7.402 8.455 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.233 7.001 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.133 6.298 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.348 5.745 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.396 4.912 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.725 6.338 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.359 7.942 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.780 8.637 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.141 8.730 -2.911 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.263 5.254 -5.290 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.252 4.128 -6.207 1.00 0.00 C ATOM 1271 C LYS A 100 -5.456 2.833 -5.438 1.00 0.00 C ATOM 1272 O LYS A 100 -4.686 2.507 -4.537 1.00 0.00 O ATOM 1273 CB LYS A 100 -3.927 4.083 -6.967 1.00 0.00 C ATOM 1274 CG LYS A 100 -3.915 3.080 -8.102 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.683 3.756 -9.444 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.994 4.163 -10.097 1.00 0.00 C ATOM 1277 NZ LYS A 100 -5.250 3.402 -11.351 1.00 0.00 N ATOM 0 H LYS A 100 -4.338 5.549 -4.977 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.064 4.247 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.713 5.074 -7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.125 3.840 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.134 2.341 -7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.863 2.543 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.056 4.637 -9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.141 3.079 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.814 3.998 -9.398 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.974 5.230 -10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.153 3.709 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.481 3.579 -12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.295 2.385 -11.137 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.507 2.104 -5.787 1.00 0.00 N ATOM 1292 CA LEU A 101 -6.814 0.855 -5.111 1.00 0.00 C ATOM 1293 C LEU A 101 -7.259 -0.211 -6.103 1.00 0.00 C ATOM 1294 O LEU A 101 -7.788 0.096 -7.168 1.00 0.00 O ATOM 1295 CB LEU A 101 -7.912 1.066 -4.059 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.153 2.517 -3.631 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.610 2.728 -3.253 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.240 2.888 -2.473 1.00 0.00 C ATOM 0 H LEU A 101 -7.158 2.356 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.903 0.515 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.846 0.662 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.658 0.483 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.921 3.168 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.761 3.765 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.245 2.503 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.870 2.068 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.424 3.922 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.441 2.231 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.200 2.777 -2.780 1.00 0.00 H new ATOM 1310 N ASN A 102 -7.060 -1.467 -5.730 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.463 -2.590 -6.564 1.00 0.00 C ATOM 1312 C ASN A 102 -8.386 -3.493 -5.764 1.00 0.00 C ATOM 1313 O ASN A 102 -7.934 -4.398 -5.064 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.243 -3.368 -7.058 1.00 0.00 C ATOM 1315 CG ASN A 102 -5.982 -3.145 -8.532 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -7.042 -3.197 -9.333 1.00 0.00 O flip ATOM 1317 ND2 ASN A 102 -4.844 -2.927 -8.949 1.00 0.00 N flip ATOM 0 H ASN A 102 -6.619 -1.735 -4.850 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.991 -2.215 -7.441 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.366 -3.067 -6.486 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.394 -4.432 -6.874 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.059 -2.896 -8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.686 -2.777 -9.946 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.683 -3.216 -5.838 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.660 -3.984 -5.082 1.00 0.00 C ATOM 1326 C ILE A 103 -11.491 -4.900 -5.974 1.00 0.00 C ATOM 1327 O ILE A 103 -11.421 -4.829 -7.200 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.585 -3.053 -4.262 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.822 -2.634 -5.055 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.826 -1.814 -3.810 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.818 -1.882 -4.212 1.00 0.00 C ATOM 0 H ILE A 103 -10.079 -2.470 -6.410 1.00 0.00 H new ATOM 0 HA ILE A 103 -10.097 -4.616 -4.395 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.918 -3.617 -3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.517 -2.010 -5.895 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.300 -3.520 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.491 -1.170 -3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.981 -2.111 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.461 -1.272 -4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.678 -1.607 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.146 -2.514 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.352 -0.980 -3.816 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.278 -5.761 -5.338 1.00 0.00 N ATOM 1344 CA VAL A 104 -13.132 -6.698 -6.053 1.00 0.00 C ATOM 1345 C VAL A 104 -14.590 -6.518 -5.647 1.00 0.00 C ATOM 1346 O VAL A 104 -14.963 -6.782 -4.504 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.717 -8.157 -5.786 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.364 -9.090 -6.797 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -11.203 -8.301 -5.813 1.00 0.00 C ATOM 0 H VAL A 104 -12.341 -5.828 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.017 -6.486 -7.116 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.066 -8.435 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.059 -10.116 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.449 -9.012 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.049 -8.812 -7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.933 -9.340 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.826 -8.002 -6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.763 -7.665 -5.045 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.410 -6.067 -6.591 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.828 -5.855 -6.330 1.00 0.00 C ATOM 1361 C ARG A 105 -17.544 -7.188 -6.148 1.00 0.00 C ATOM 1362 O ARG A 105 -17.077 -8.221 -6.623 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.466 -5.065 -7.476 1.00 0.00 C ATOM 1364 CG ARG A 105 -17.990 -3.701 -7.057 1.00 0.00 C ATOM 1365 CD ARG A 105 -17.468 -2.599 -7.964 1.00 0.00 C ATOM 1366 NE ARG A 105 -18.271 -2.460 -9.177 1.00 0.00 N ATOM 1367 CZ ARG A 105 -19.360 -1.700 -9.267 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -19.790 -1.011 -8.218 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -20.025 -1.631 -10.412 1.00 0.00 N ATOM 0 H ARG A 105 -15.117 -5.842 -7.542 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.927 -5.280 -5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.730 -4.934 -8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -18.287 -5.647 -7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -19.080 -3.706 -7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -17.694 -3.497 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -17.465 -1.654 -7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -16.434 -2.813 -8.236 1.00 0.00 H new ATOM 0 HE ARG A 105 -17.979 -2.977 -10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -19.285 -1.061 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -20.626 -0.431 -8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -19.702 -2.160 -11.222 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -20.860 -1.049 -10.483 1.00 0.00 H new TER 1383 ARG A 105 ATOM 1384 N PRO B -3 -15.112 3.085 13.946 1.00 0.00 N ATOM 1385 CA PRO B -3 -14.155 2.114 13.421 1.00 0.00 C ATOM 1386 C PRO B -3 -12.980 2.777 12.707 1.00 0.00 C ATOM 1387 O PRO B -3 -12.633 2.404 11.586 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.003 1.319 12.434 1.00 0.00 C ATOM 1389 CG PRO B -3 -15.971 2.318 11.892 1.00 0.00 C ATOM 1390 CD PRO B -3 -16.219 3.322 12.995 1.00 0.00 C ATOM 0 H2 PRO B -3 -14.634 3.965 14.140 1.00 0.00 H new ATOM 0 H3 PRO B -3 -15.489 2.748 14.832 1.00 0.00 H new ATOM 0 HA PRO B -3 -13.696 1.514 14.207 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -14.391 0.887 11.642 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -15.517 0.493 12.926 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -15.567 2.808 11.006 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -16.901 1.834 11.593 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -16.208 4.344 12.615 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -17.190 3.167 13.465 1.00 0.00 H new ATOM 1398 N VAL B -2 -12.373 3.763 13.361 1.00 0.00 N ATOM 1399 CA VAL B -2 -11.236 4.480 12.789 1.00 0.00 C ATOM 1400 C VAL B -2 -11.667 5.340 11.605 1.00 0.00 C ATOM 1401 O VAL B -2 -11.634 6.569 11.673 1.00 0.00 O ATOM 1402 CB VAL B -2 -10.128 3.512 12.330 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -8.873 4.279 11.950 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -9.829 2.490 13.417 1.00 0.00 C ATOM 0 H VAL B -2 -12.649 4.085 14.289 1.00 0.00 H new ATOM 0 HA VAL B -2 -10.841 5.121 13.577 1.00 0.00 H new ATOM 0 HB VAL B -2 -10.480 2.978 11.447 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -8.102 3.579 11.629 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -9.100 4.968 11.136 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -8.515 4.842 12.812 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -9.044 1.815 13.076 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -9.498 3.005 14.319 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -10.730 1.918 13.636 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.074 4.686 10.520 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.516 5.390 9.318 1.00 0.00 C ATOM 1416 C TYR B -1 -11.356 6.113 8.641 1.00 0.00 C ATOM 1417 O TYR B -1 -10.968 7.206 9.053 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.623 6.392 9.661 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.975 6.018 9.098 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.180 5.950 7.726 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -16.044 5.733 9.935 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.413 5.611 7.206 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -17.282 5.391 9.424 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.461 5.331 8.058 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.692 4.991 7.544 1.00 0.00 O ATOM 0 H TYR B -1 -12.107 3.669 10.448 1.00 0.00 H new ATOM 0 HA TYR B -1 -12.908 4.646 8.624 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.701 6.477 10.745 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -13.341 7.375 9.284 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.362 6.166 7.055 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.906 5.779 11.005 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -16.556 5.565 6.137 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -18.104 5.172 10.090 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.319 4.824 8.279 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.814 5.501 7.592 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.709 6.097 6.851 1.00 0.00 C ATOM 1437 C ILE B 0 -10.224 7.078 5.808 1.00 0.00 C ATOM 1438 O ILE B 0 -11.395 7.496 5.924 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.840 5.028 6.160 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.657 4.225 5.141 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.224 4.099 7.195 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -9.954 4.976 3.858 1.00 0.00 C ATOM 1443 OXT ILE B 0 -9.456 7.419 4.886 1.00 0.00 O ATOM 0 H ILE B 0 -11.121 4.595 7.237 1.00 0.00 H new ATOM 0 HA ILE B 0 -9.092 6.628 7.576 1.00 0.00 H new ATOM 0 HB ILE B 0 -8.040 5.538 5.623 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.116 3.310 4.897 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.599 3.926 5.601 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -7.613 3.349 6.693 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.601 4.677 7.878 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.016 3.604 7.757 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.535 4.340 3.190 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.523 5.877 4.087 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.018 5.252 3.373 1.00 0.00 H new TER 1455 ILE B 0