USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=20 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 88 SER OG : rot 80:sc= 0.146 USER MOD Set 1.2: A 91 LYS NZ :NH3+ 158:sc= -0.66 (180deg=-1.64!) USER MOD Set 2.1: A 46 THR OG1 : rot 124:sc= -1.31! USER MOD Set 2.2: A 69 GLN : amide:sc= -8.26 K(o=-9.6,f=-13!) USER MOD Set 3.1: A 51 ASN : amide:sc= 0.85 K(o=1.9,f=0.06) USER MOD Set 3.2: B -1 TYR OH : rot 116:sc= 1.04 USER MOD Single : A 19 LYS NZ :NH3+ -158:sc=-0.000222 (180deg=-0.172) USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -0.053 (180deg=-0.351) USER MOD Single : A 26 GLN : amide:sc= -0.0018 X(o=-0.0018,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 48:sc= 1.23 USER MOD Single : A 42 SER OG : rot 90:sc= 0.013 USER MOD Single : A 52 MET CE :methyl -168:sc= -1.11 (180deg=-1.77!) USER MOD Single : A 53 MET CE :methyl -175:sc= -2.46! (180deg=-2.73!) USER MOD Single : A 54 HIS : no HD1:sc= -0.087 X(o=-0.087,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -130:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.2!) USER MOD Single : A 71 MET CE :methyl -141:sc= -14.3! (180deg=-17.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.01! C(o=-3!,f=-3.2!) USER MOD Single : A 76 THR OG1 : rot 86:sc= 0.43 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 85 THR OG1 : rot -170:sc= -1.05 USER MOD Single : A 86 CYS SG : rot 86:sc= -3.19! USER MOD Single : A 87 GLN : amide:sc= -4.45! C(o=-4.4!,f=-4.4!) USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= -0.0572 (180deg=-1.34!) USER MOD Single : A 95 ASN : amide:sc= -0.0043 K(o=-0.0043,f=-0.54) USER MOD Single : A 96 GLN : amide:sc= -10! C(o=-10!,f=-21!) USER MOD Single : A 97 SER OG : rot -19:sc= 0.299 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.472 -9.013 -8.894 1.00 0.00 N ATOM 2 CA GLU A 17 -15.073 -8.210 -10.044 1.00 0.00 C ATOM 3 C GLU A 17 -13.947 -7.247 -9.683 1.00 0.00 C ATOM 4 O GLU A 17 -14.189 -6.167 -9.145 1.00 0.00 O ATOM 5 CB GLU A 17 -16.273 -7.428 -10.583 1.00 0.00 C ATOM 6 CG GLU A 17 -15.994 -6.713 -11.894 1.00 0.00 C ATOM 7 CD GLU A 17 -16.127 -7.626 -13.098 1.00 0.00 C ATOM 8 OE1 GLU A 17 -16.989 -8.528 -13.064 1.00 0.00 O ATOM 9 OE2 GLU A 17 -15.368 -7.438 -14.071 1.00 0.00 O ATOM 0 HA GLU A 17 -14.707 -8.888 -10.815 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.109 -8.113 -10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.583 -6.695 -9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.683 -5.875 -12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.987 -6.296 -11.869 1.00 0.00 H new ATOM 16 N PHE A 18 -12.713 -7.641 -9.995 1.00 0.00 N ATOM 17 CA PHE A 18 -11.549 -6.805 -9.713 1.00 0.00 C ATOM 18 C PHE A 18 -11.679 -5.461 -10.419 1.00 0.00 C ATOM 19 O PHE A 18 -12.204 -5.387 -11.531 1.00 0.00 O ATOM 20 CB PHE A 18 -10.270 -7.507 -10.173 1.00 0.00 C ATOM 21 CG PHE A 18 -9.477 -8.118 -9.054 1.00 0.00 C ATOM 22 CD1 PHE A 18 -8.832 -7.319 -8.124 1.00 0.00 C ATOM 23 CD2 PHE A 18 -9.374 -9.494 -8.939 1.00 0.00 C ATOM 24 CE1 PHE A 18 -8.098 -7.884 -7.098 1.00 0.00 C ATOM 25 CE2 PHE A 18 -8.643 -10.064 -7.915 1.00 0.00 C ATOM 26 CZ PHE A 18 -8.003 -9.259 -6.993 1.00 0.00 C ATOM 0 H PHE A 18 -12.495 -8.532 -10.442 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.497 -6.637 -8.637 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.532 -8.287 -10.888 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.642 -6.789 -10.701 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -8.903 -6.244 -8.201 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -9.871 -10.129 -9.658 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.599 -7.251 -6.379 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.572 -11.139 -7.835 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.430 -9.703 -6.192 1.00 0.00 H new ATOM 36 N LYS A 19 -11.204 -4.398 -9.780 1.00 0.00 N ATOM 37 CA LYS A 19 -11.285 -3.072 -10.377 1.00 0.00 C ATOM 38 C LYS A 19 -10.375 -2.070 -9.675 1.00 0.00 C ATOM 39 O LYS A 19 -10.421 -1.909 -8.452 1.00 0.00 O ATOM 40 CB LYS A 19 -12.729 -2.568 -10.348 1.00 0.00 C ATOM 41 CG LYS A 19 -13.388 -2.689 -8.984 1.00 0.00 C ATOM 42 CD LYS A 19 -13.702 -1.324 -8.389 1.00 0.00 C ATOM 43 CE LYS A 19 -14.636 -0.523 -9.284 1.00 0.00 C ATOM 44 NZ LYS A 19 -14.059 0.803 -9.642 1.00 0.00 N ATOM 0 H LYS A 19 -10.764 -4.427 -8.860 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.947 -3.160 -11.409 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.747 -1.524 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.315 -3.128 -11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.308 -3.267 -9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.731 -3.238 -8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.158 -1.451 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.775 -0.770 -8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.840 -1.088 -10.194 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.590 -0.379 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.824 1.452 -9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.552 1.194 -8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.398 0.691 -10.437 1.00 0.00 H new ATOM 58 N ASP A 20 -9.562 -1.383 -10.472 1.00 0.00 N ATOM 59 CA ASP A 20 -8.648 -0.366 -9.960 1.00 0.00 C ATOM 60 C ASP A 20 -9.431 0.864 -9.518 1.00 0.00 C ATOM 61 O ASP A 20 -9.860 1.669 -10.344 1.00 0.00 O ATOM 62 CB ASP A 20 -7.629 0.024 -11.033 1.00 0.00 C ATOM 63 CG ASP A 20 -7.043 -1.181 -11.743 1.00 0.00 C ATOM 64 OD1 ASP A 20 -7.728 -1.741 -12.624 1.00 0.00 O ATOM 65 OD2 ASP A 20 -5.901 -1.566 -11.416 1.00 0.00 O ATOM 0 H ASP A 20 -9.518 -1.513 -11.483 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.115 -0.777 -9.103 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.108 0.675 -11.764 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.824 0.598 -10.574 1.00 0.00 H new ATOM 70 N VAL A 21 -9.628 0.996 -8.213 1.00 0.00 N ATOM 71 CA VAL A 21 -10.374 2.118 -7.661 1.00 0.00 C ATOM 72 C VAL A 21 -9.499 3.356 -7.520 1.00 0.00 C ATOM 73 O VAL A 21 -8.542 3.370 -6.746 1.00 0.00 O ATOM 74 CB VAL A 21 -10.973 1.776 -6.285 1.00 0.00 C ATOM 75 CG1 VAL A 21 -11.913 2.881 -5.826 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.697 0.439 -6.334 1.00 0.00 C ATOM 0 H VAL A 21 -9.280 0.338 -7.516 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.181 2.326 -8.364 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.160 1.696 -5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.328 2.624 -4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.363 3.819 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.723 2.993 -6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.114 0.215 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.502 0.488 -7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.995 -0.345 -6.618 1.00 0.00 H new ATOM 86 N PHE A 22 -9.846 4.397 -8.267 1.00 0.00 N ATOM 87 CA PHE A 22 -9.106 5.648 -8.222 1.00 0.00 C ATOM 88 C PHE A 22 -9.994 6.772 -7.703 1.00 0.00 C ATOM 89 O PHE A 22 -10.862 7.273 -8.418 1.00 0.00 O ATOM 90 CB PHE A 22 -8.577 6.002 -9.614 1.00 0.00 C ATOM 91 CG PHE A 22 -7.193 6.581 -9.597 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.212 6.032 -8.790 1.00 0.00 C ATOM 93 CD2 PHE A 22 -6.874 7.675 -10.384 1.00 0.00 C ATOM 94 CE1 PHE A 22 -4.938 6.558 -8.769 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.598 8.207 -10.367 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.631 7.645 -9.557 1.00 0.00 C ATOM 0 H PHE A 22 -10.637 4.398 -8.911 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.262 5.525 -7.543 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.580 5.106 -10.234 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.255 6.716 -10.082 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.448 5.181 -8.169 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.629 8.117 -11.017 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.182 6.118 -8.136 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.358 9.059 -10.985 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.633 8.058 -9.541 1.00 0.00 H new ATOM 106 N ILE A 23 -9.776 7.160 -6.454 1.00 0.00 N ATOM 107 CA ILE A 23 -10.560 8.219 -5.838 1.00 0.00 C ATOM 108 C ILE A 23 -9.769 9.521 -5.782 1.00 0.00 C ATOM 109 O ILE A 23 -8.936 9.717 -4.898 1.00 0.00 O ATOM 110 CB ILE A 23 -11.004 7.827 -4.413 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.797 6.516 -4.449 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.829 8.939 -3.775 1.00 0.00 C ATOM 113 CD1 ILE A 23 -13.205 6.668 -4.989 1.00 0.00 C ATOM 0 H ILE A 23 -9.062 6.756 -5.848 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.446 8.366 -6.455 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.113 7.679 -3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.259 5.793 -5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.847 6.104 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.130 8.639 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.231 9.849 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.717 9.126 -4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.703 5.699 -4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.761 7.366 -4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.164 7.049 -6.009 1.00 0.00 H new ATOM 125 N GLU A 24 -10.041 10.412 -6.730 1.00 0.00 N ATOM 126 CA GLU A 24 -9.360 11.698 -6.785 1.00 0.00 C ATOM 127 C GLU A 24 -9.939 12.645 -5.742 1.00 0.00 C ATOM 128 O GLU A 24 -11.078 13.096 -5.863 1.00 0.00 O ATOM 129 CB GLU A 24 -9.489 12.313 -8.180 1.00 0.00 C ATOM 130 CG GLU A 24 -9.204 11.333 -9.307 1.00 0.00 C ATOM 131 CD GLU A 24 -10.294 11.319 -10.359 1.00 0.00 C ATOM 132 OE1 GLU A 24 -11.003 12.338 -10.494 1.00 0.00 O ATOM 133 OE2 GLU A 24 -10.441 10.288 -11.050 1.00 0.00 O ATOM 0 H GLU A 24 -10.728 10.266 -7.470 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.303 11.539 -6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.497 12.710 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.803 13.156 -8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.255 11.592 -9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.092 10.331 -8.892 1.00 0.00 H new ATOM 140 N LYS A 25 -9.153 12.933 -4.711 1.00 0.00 N ATOM 141 CA LYS A 25 -9.597 13.816 -3.641 1.00 0.00 C ATOM 142 C LYS A 25 -8.505 14.810 -3.263 1.00 0.00 C ATOM 143 O LYS A 25 -7.482 14.910 -3.940 1.00 0.00 O ATOM 144 CB LYS A 25 -10.003 12.992 -2.419 1.00 0.00 C ATOM 145 CG LYS A 25 -8.883 12.115 -1.880 1.00 0.00 C ATOM 146 CD LYS A 25 -8.574 12.433 -0.425 1.00 0.00 C ATOM 147 CE LYS A 25 -7.083 12.340 -0.141 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.794 12.356 1.320 1.00 0.00 N ATOM 0 H LYS A 25 -8.208 12.569 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.460 14.379 -3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.337 13.666 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.853 12.362 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.165 11.066 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.986 12.258 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.929 13.436 -0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.113 11.741 0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.686 11.424 -0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.569 13.172 -0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.798 12.613 1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.408 13.053 1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.974 11.413 1.720 1.00 0.00 H new ATOM 162 N GLN A 26 -8.729 15.539 -2.176 1.00 0.00 N ATOM 163 CA GLN A 26 -7.764 16.522 -1.707 1.00 0.00 C ATOM 164 C GLN A 26 -7.137 16.072 -0.393 1.00 0.00 C ATOM 165 O GLN A 26 -7.739 15.312 0.364 1.00 0.00 O ATOM 166 CB GLN A 26 -8.438 17.884 -1.526 1.00 0.00 C ATOM 167 CG GLN A 26 -8.975 18.472 -2.821 1.00 0.00 C ATOM 168 CD GLN A 26 -10.452 18.192 -3.020 1.00 0.00 C ATOM 169 OE1 GLN A 26 -11.306 18.828 -2.401 1.00 0.00 O ATOM 170 NE2 GLN A 26 -10.761 17.235 -3.888 1.00 0.00 N ATOM 0 H GLN A 26 -9.571 15.467 -1.604 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.977 16.614 -2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.258 17.783 -0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.721 18.580 -1.090 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.810 19.549 -2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.415 18.062 -3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.021 16.733 -4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.738 17.002 -4.064 1.00 0.00 H new ATOM 179 N LYS A 27 -5.927 16.546 -0.129 1.00 0.00 N ATOM 180 CA LYS A 27 -5.219 16.191 1.095 1.00 0.00 C ATOM 181 C LYS A 27 -6.046 16.548 2.320 1.00 0.00 C ATOM 182 O LYS A 27 -6.889 17.446 2.275 1.00 0.00 O ATOM 183 CB LYS A 27 -3.864 16.899 1.155 1.00 0.00 C ATOM 184 CG LYS A 27 -3.141 16.938 -0.181 1.00 0.00 C ATOM 185 CD LYS A 27 -1.635 16.860 -0.004 1.00 0.00 C ATOM 186 CE LYS A 27 -1.007 15.911 -1.010 1.00 0.00 C ATOM 187 NZ LYS A 27 -0.736 16.578 -2.313 1.00 0.00 N ATOM 0 H LYS A 27 -5.415 17.177 -0.745 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.054 15.114 1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.011 17.919 1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.232 16.396 1.887 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.478 16.108 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.399 17.856 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.202 17.854 -0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.403 16.526 1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.075 15.517 -0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.670 15.061 -1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.308 15.895 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.628 16.932 -2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.083 17.374 -2.166 1.00 0.00 H new ATOM 201 N GLY A 28 -5.806 15.837 3.411 1.00 0.00 N ATOM 202 CA GLY A 28 -6.542 16.087 4.634 1.00 0.00 C ATOM 203 C GLY A 28 -7.974 15.589 4.565 1.00 0.00 C ATOM 204 O GLY A 28 -8.788 15.910 5.430 1.00 0.00 O ATOM 0 H GLY A 28 -5.114 15.090 3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.032 15.602 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.543 17.157 4.841 1.00 0.00 H new ATOM 208 N GLU A 29 -8.284 14.794 3.541 1.00 0.00 N ATOM 209 CA GLU A 29 -9.623 14.249 3.382 1.00 0.00 C ATOM 210 C GLU A 29 -9.564 12.734 3.277 1.00 0.00 C ATOM 211 O GLU A 29 -10.389 12.116 2.608 1.00 0.00 O ATOM 212 CB GLU A 29 -10.306 14.841 2.147 1.00 0.00 C ATOM 213 CG GLU A 29 -10.583 16.332 2.262 1.00 0.00 C ATOM 214 CD GLU A 29 -11.563 16.824 1.217 1.00 0.00 C ATOM 215 OE1 GLU A 29 -11.245 16.734 0.013 1.00 0.00 O ATOM 216 OE2 GLU A 29 -12.653 17.300 1.602 1.00 0.00 O ATOM 0 H GLU A 29 -7.625 14.516 2.814 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.210 14.518 4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.678 14.663 1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.246 14.317 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.977 16.549 3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.646 16.881 2.163 1.00 0.00 H new ATOM 223 N ILE A 30 -8.574 12.161 3.963 1.00 0.00 N ATOM 224 CA ILE A 30 -8.345 10.711 4.004 1.00 0.00 C ATOM 225 C ILE A 30 -9.038 9.963 2.863 1.00 0.00 C ATOM 226 O ILE A 30 -8.418 9.634 1.852 1.00 0.00 O ATOM 227 CB ILE A 30 -8.802 10.098 5.345 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.642 11.089 6.146 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.609 9.635 6.165 1.00 0.00 C ATOM 230 CD1 ILE A 30 -10.519 10.418 7.173 1.00 0.00 C ATOM 0 H ILE A 30 -7.900 12.694 4.513 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.268 10.590 3.891 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.422 9.231 5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.981 11.797 6.646 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.266 11.664 5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.958 9.207 7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.054 8.881 5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.958 10.485 6.372 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.092 11.173 7.711 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.202 9.730 6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.897 9.865 7.877 1.00 0.00 H new ATOM 242 N LEU A 31 -10.327 9.705 3.050 1.00 0.00 N ATOM 243 CA LEU A 31 -11.139 8.994 2.068 1.00 0.00 C ATOM 244 C LEU A 31 -12.538 8.768 2.625 1.00 0.00 C ATOM 245 O LEU A 31 -13.538 8.955 1.934 1.00 0.00 O ATOM 246 CB LEU A 31 -10.502 7.649 1.706 1.00 0.00 C ATOM 247 CG LEU A 31 -11.015 7.016 0.412 1.00 0.00 C ATOM 248 CD1 LEU A 31 -10.546 7.814 -0.795 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.553 5.570 0.310 1.00 0.00 C ATOM 0 H LEU A 31 -10.840 9.983 3.887 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.199 9.601 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.424 7.786 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.672 6.951 2.526 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.105 7.030 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.921 7.349 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.924 8.834 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.456 7.832 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.926 5.133 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.464 5.535 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.938 5.004 1.159 1.00 0.00 H new ATOM 261 N GLY A 32 -12.591 8.374 3.894 1.00 0.00 N ATOM 262 CA GLY A 32 -13.861 8.137 4.554 1.00 0.00 C ATOM 263 C GLY A 32 -14.407 6.741 4.327 1.00 0.00 C ATOM 264 O GLY A 32 -15.460 6.577 3.711 1.00 0.00 O ATOM 0 H GLY A 32 -11.771 8.214 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.742 8.303 5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.589 8.866 4.198 1.00 0.00 H new ATOM 268 N VAL A 33 -13.704 5.729 4.834 1.00 0.00 N ATOM 269 CA VAL A 33 -14.159 4.346 4.679 1.00 0.00 C ATOM 270 C VAL A 33 -13.713 3.465 5.846 1.00 0.00 C ATOM 271 O VAL A 33 -12.731 3.758 6.523 1.00 0.00 O ATOM 272 CB VAL A 33 -13.700 3.720 3.331 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.555 4.786 2.256 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.399 2.934 3.480 1.00 0.00 C ATOM 0 H VAL A 33 -12.830 5.836 5.348 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.248 4.387 4.676 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.476 3.019 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.233 4.321 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.514 5.281 2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.814 5.521 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.115 2.514 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.611 3.599 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.542 2.127 4.199 1.00 0.00 H new ATOM 284 N VAL A 34 -14.448 2.379 6.065 1.00 0.00 N ATOM 285 CA VAL A 34 -14.136 1.439 7.136 1.00 0.00 C ATOM 286 C VAL A 34 -13.807 0.066 6.566 1.00 0.00 C ATOM 287 O VAL A 34 -14.556 -0.472 5.753 1.00 0.00 O ATOM 288 CB VAL A 34 -15.307 1.301 8.129 1.00 0.00 C ATOM 289 CG1 VAL A 34 -15.041 0.190 9.137 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.562 2.622 8.838 1.00 0.00 C ATOM 0 H VAL A 34 -15.267 2.128 5.512 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.270 1.835 7.667 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.201 1.034 7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.883 0.114 9.825 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.916 -0.756 8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.134 0.416 9.697 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.392 2.506 9.535 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.667 2.920 9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.810 3.388 8.103 1.00 0.00 H new ATOM 300 N ILE A 35 -12.685 -0.495 6.997 1.00 0.00 N ATOM 301 CA ILE A 35 -12.257 -1.801 6.531 1.00 0.00 C ATOM 302 C ILE A 35 -12.180 -2.804 7.678 1.00 0.00 C ATOM 303 O ILE A 35 -11.931 -2.435 8.824 1.00 0.00 O ATOM 304 CB ILE A 35 -10.894 -1.725 5.833 1.00 0.00 C ATOM 305 CG1 ILE A 35 -9.963 -0.770 6.572 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.063 -1.301 4.382 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.520 -1.203 6.527 1.00 0.00 C ATOM 0 H ILE A 35 -12.055 -0.061 7.671 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.005 -2.140 5.814 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.442 -2.717 5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.052 0.225 6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.281 -0.693 7.612 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.086 -1.252 3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.688 -2.027 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.537 -0.320 4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.907 -0.484 7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.420 -2.186 6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.187 -1.253 5.490 1.00 0.00 H new ATOM 319 N VAL A 36 -12.397 -4.076 7.357 1.00 0.00 N ATOM 320 CA VAL A 36 -12.354 -5.140 8.354 1.00 0.00 C ATOM 321 C VAL A 36 -11.843 -6.444 7.748 1.00 0.00 C ATOM 322 O VAL A 36 -11.765 -6.580 6.532 1.00 0.00 O ATOM 323 CB VAL A 36 -13.748 -5.385 8.967 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.255 -4.131 9.660 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.729 -5.847 7.899 1.00 0.00 C ATOM 0 H VAL A 36 -12.605 -4.395 6.411 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.669 -4.815 9.137 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.662 -6.175 9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.240 -4.324 10.086 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.564 -3.850 10.455 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.325 -3.319 8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.707 -6.015 8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.813 -5.083 7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.371 -6.775 7.454 1.00 0.00 H new ATOM 335 N GLU A 37 -11.500 -7.402 8.603 1.00 0.00 N ATOM 336 CA GLU A 37 -11.003 -8.696 8.140 1.00 0.00 C ATOM 337 C GLU A 37 -12.004 -9.355 7.194 1.00 0.00 C ATOM 338 O GLU A 37 -13.203 -9.397 7.472 1.00 0.00 O ATOM 339 CB GLU A 37 -10.727 -9.615 9.330 1.00 0.00 C ATOM 340 CG GLU A 37 -9.316 -9.494 9.880 1.00 0.00 C ATOM 341 CD GLU A 37 -9.015 -10.525 10.949 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.866 -10.717 11.844 1.00 0.00 O ATOM 343 OE2 GLU A 37 -7.931 -11.143 10.892 1.00 0.00 O ATOM 0 H GLU A 37 -11.556 -7.309 9.617 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.073 -8.528 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.438 -9.389 10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.903 -10.648 9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.602 -9.603 9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.176 -8.496 10.294 1.00 0.00 H new ATOM 350 N SER A 38 -11.503 -9.864 6.071 1.00 0.00 N ATOM 351 CA SER A 38 -12.351 -10.516 5.078 1.00 0.00 C ATOM 352 C SER A 38 -12.794 -11.899 5.545 1.00 0.00 C ATOM 353 O SER A 38 -12.190 -12.909 5.185 1.00 0.00 O ATOM 354 CB SER A 38 -11.617 -10.626 3.743 1.00 0.00 C ATOM 355 OG SER A 38 -10.592 -11.603 3.802 1.00 0.00 O ATOM 0 H SER A 38 -10.513 -9.837 5.826 1.00 0.00 H new ATOM 0 HA SER A 38 -13.242 -9.902 4.948 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.325 -10.885 2.956 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.187 -9.659 3.480 1.00 0.00 H new ATOM 0 HG SER A 38 -10.948 -12.427 4.196 1.00 0.00 H new ATOM 361 N GLY A 39 -13.855 -11.938 6.345 1.00 0.00 N ATOM 362 CA GLY A 39 -14.365 -13.205 6.843 1.00 0.00 C ATOM 363 C GLY A 39 -15.278 -13.903 5.853 1.00 0.00 C ATOM 364 O GLY A 39 -15.721 -15.025 6.095 1.00 0.00 O ATOM 0 H GLY A 39 -14.371 -11.116 6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.527 -13.860 7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.909 -13.032 7.772 1.00 0.00 H new ATOM 368 N TRP A 40 -15.545 -13.243 4.732 1.00 0.00 N ATOM 369 CA TRP A 40 -16.391 -13.801 3.684 1.00 0.00 C ATOM 370 C TRP A 40 -15.865 -15.166 3.240 1.00 0.00 C ATOM 371 O TRP A 40 -15.033 -15.769 3.919 1.00 0.00 O ATOM 372 CB TRP A 40 -16.408 -12.844 2.493 1.00 0.00 C ATOM 373 CG TRP A 40 -15.052 -12.658 1.884 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.843 -12.868 2.489 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.760 -12.224 0.552 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.824 -12.601 1.613 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.360 -12.202 0.421 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.547 -11.857 -0.539 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.730 -11.827 -0.756 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -14.920 -11.481 -1.713 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.523 -11.470 -1.815 1.00 0.00 C ATOM 0 H TRP A 40 -15.184 -12.312 4.525 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.401 -13.930 4.072 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.093 -13.225 1.736 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.794 -11.877 2.814 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.711 -13.197 3.509 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.828 -12.686 1.817 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.625 -11.866 -0.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.653 -11.817 -0.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.517 -11.191 -2.565 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.062 -11.175 -2.746 1.00 0.00 H new ATOM 392 N GLY A 41 -16.330 -15.644 2.088 1.00 0.00 N ATOM 393 CA GLY A 41 -15.862 -16.925 1.582 1.00 0.00 C ATOM 394 C GLY A 41 -14.345 -17.011 1.579 1.00 0.00 C ATOM 395 O GLY A 41 -13.775 -18.100 1.640 1.00 0.00 O ATOM 0 H GLY A 41 -17.017 -15.172 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -16.270 -17.729 2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -16.236 -17.074 0.569 1.00 0.00 H new ATOM 399 N SER A 42 -13.699 -15.846 1.517 1.00 0.00 N ATOM 400 CA SER A 42 -12.244 -15.748 1.513 1.00 0.00 C ATOM 401 C SER A 42 -11.683 -15.988 0.129 1.00 0.00 C ATOM 402 O SER A 42 -10.809 -16.830 -0.075 1.00 0.00 O ATOM 403 CB SER A 42 -11.607 -16.707 2.517 1.00 0.00 C ATOM 404 OG SER A 42 -12.507 -17.031 3.563 1.00 0.00 O ATOM 0 H SER A 42 -14.173 -14.944 1.468 1.00 0.00 H new ATOM 0 HA SER A 42 -11.994 -14.731 1.817 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.297 -17.618 2.006 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.708 -16.254 2.935 1.00 0.00 H new ATOM 0 HG SER A 42 -13.026 -17.824 3.314 1.00 0.00 H new ATOM 410 N ILE A 43 -12.180 -15.209 -0.810 1.00 0.00 N ATOM 411 CA ILE A 43 -11.730 -15.283 -2.179 1.00 0.00 C ATOM 412 C ILE A 43 -10.315 -14.729 -2.283 1.00 0.00 C ATOM 413 O ILE A 43 -9.480 -15.232 -3.035 1.00 0.00 O ATOM 414 CB ILE A 43 -12.664 -14.484 -3.078 1.00 0.00 C ATOM 415 CG1 ILE A 43 -14.102 -14.950 -2.875 1.00 0.00 C ATOM 416 CG2 ILE A 43 -12.249 -14.627 -4.518 1.00 0.00 C ATOM 417 CD1 ILE A 43 -15.114 -14.088 -3.584 1.00 0.00 C ATOM 0 H ILE A 43 -12.904 -14.510 -0.644 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.734 -16.324 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.603 -13.429 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -14.197 -15.976 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -14.326 -14.959 -1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.925 -14.051 -5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -11.232 -14.256 -4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -12.290 -15.678 -4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -16.116 -14.475 -3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -15.045 -13.066 -3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.914 -14.099 -4.655 1.00 0.00 H new ATOM 429 N LEU A 44 -10.064 -13.696 -1.488 1.00 0.00 N ATOM 430 CA LEU A 44 -8.769 -13.038 -1.418 1.00 0.00 C ATOM 431 C LEU A 44 -8.579 -12.474 -0.010 1.00 0.00 C ATOM 432 O LEU A 44 -9.267 -11.529 0.376 1.00 0.00 O ATOM 433 CB LEU A 44 -8.667 -11.904 -2.446 1.00 0.00 C ATOM 434 CG LEU A 44 -9.403 -12.136 -3.770 1.00 0.00 C ATOM 435 CD1 LEU A 44 -10.815 -11.574 -3.705 1.00 0.00 C ATOM 436 CD2 LEU A 44 -8.631 -11.512 -4.924 1.00 0.00 C ATOM 0 H LEU A 44 -10.763 -13.288 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.991 -13.767 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.054 -10.992 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.613 -11.730 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.471 -13.210 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.320 -11.749 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.366 -12.067 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.772 -10.503 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.167 -11.686 -5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.531 -10.439 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.641 -11.963 -4.985 1.00 0.00 H new ATOM 448 N PRO A 45 -7.666 -13.050 0.790 1.00 0.00 N ATOM 449 CA PRO A 45 -7.431 -12.593 2.164 1.00 0.00 C ATOM 450 C PRO A 45 -7.078 -11.111 2.237 1.00 0.00 C ATOM 451 O PRO A 45 -5.905 -10.741 2.247 1.00 0.00 O ATOM 452 CB PRO A 45 -6.257 -13.455 2.649 1.00 0.00 C ATOM 453 CG PRO A 45 -5.677 -14.067 1.418 1.00 0.00 C ATOM 454 CD PRO A 45 -6.808 -14.191 0.441 1.00 0.00 C ATOM 0 HA PRO A 45 -8.326 -12.699 2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.517 -12.851 3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.595 -14.221 3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.879 -13.445 1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.242 -15.042 1.636 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.460 -14.135 -0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.333 -15.140 0.549 1.00 0.00 H new ATOM 462 N THR A 46 -8.106 -10.268 2.293 1.00 0.00 N ATOM 463 CA THR A 46 -7.915 -8.821 2.370 1.00 0.00 C ATOM 464 C THR A 46 -8.899 -8.211 3.373 1.00 0.00 C ATOM 465 O THR A 46 -9.370 -8.897 4.280 1.00 0.00 O ATOM 466 CB THR A 46 -8.083 -8.177 0.977 1.00 0.00 C ATOM 467 OG1 THR A 46 -9.328 -7.510 0.865 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.003 -9.158 -0.176 1.00 0.00 C ATOM 0 H THR A 46 -9.083 -10.562 2.286 1.00 0.00 H new ATOM 0 HA THR A 46 -6.901 -8.620 2.715 1.00 0.00 H new ATOM 0 HB THR A 46 -7.245 -7.484 0.904 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.177 -6.576 0.608 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.131 -8.624 -1.118 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.031 -9.651 -0.168 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.790 -9.905 -0.073 1.00 0.00 H new ATOM 476 N VAL A 47 -9.215 -6.927 3.208 1.00 0.00 N ATOM 477 CA VAL A 47 -10.152 -6.252 4.101 1.00 0.00 C ATOM 478 C VAL A 47 -11.482 -5.992 3.394 1.00 0.00 C ATOM 479 O VAL A 47 -11.558 -6.033 2.165 1.00 0.00 O ATOM 480 CB VAL A 47 -9.596 -4.914 4.625 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.705 -5.142 5.838 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.843 -4.174 3.530 1.00 0.00 C ATOM 0 H VAL A 47 -8.837 -6.337 2.467 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.305 -6.918 4.950 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.437 -4.293 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.322 -4.185 6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.283 -5.618 6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.871 -5.786 5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.460 -3.233 3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.011 -4.787 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.517 -3.971 2.698 1.00 0.00 H new ATOM 492 N ILE A 48 -12.528 -5.733 4.176 1.00 0.00 N ATOM 493 CA ILE A 48 -13.854 -5.477 3.619 1.00 0.00 C ATOM 494 C ILE A 48 -14.373 -4.100 4.007 1.00 0.00 C ATOM 495 O ILE A 48 -14.338 -3.724 5.179 1.00 0.00 O ATOM 496 CB ILE A 48 -14.900 -6.515 4.094 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.244 -7.666 4.853 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.691 -7.047 2.915 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.247 -8.608 5.484 1.00 0.00 C ATOM 0 H ILE A 48 -12.483 -5.695 5.194 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.729 -5.545 2.538 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.580 -6.009 4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.607 -8.228 4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.597 -7.259 5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.422 -7.775 3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.208 -6.223 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.013 -7.525 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.719 -9.404 6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.868 -8.058 6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.878 -9.041 4.708 1.00 0.00 H new ATOM 511 N ILE A 49 -14.894 -3.369 3.028 1.00 0.00 N ATOM 512 CA ILE A 49 -15.459 -2.068 3.279 1.00 0.00 C ATOM 513 C ILE A 49 -16.791 -2.233 3.980 1.00 0.00 C ATOM 514 O ILE A 49 -17.834 -2.388 3.345 1.00 0.00 O ATOM 515 CB ILE A 49 -15.639 -1.289 1.975 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.305 -1.212 1.241 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.179 0.098 2.252 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.399 -0.528 -0.098 1.00 0.00 C ATOM 0 H ILE A 49 -14.932 -3.665 2.053 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.778 -1.502 3.914 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.362 -1.809 1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.586 -0.679 1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.918 -2.221 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.300 0.636 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.144 0.019 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.482 0.639 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.415 -0.508 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.094 -1.073 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.757 0.492 0.039 1.00 0.00 H new ATOM 530 N ALA A 50 -16.733 -2.237 5.298 1.00 0.00 N ATOM 531 CA ALA A 50 -17.911 -2.423 6.120 1.00 0.00 C ATOM 532 C ALA A 50 -18.629 -1.105 6.389 1.00 0.00 C ATOM 533 O ALA A 50 -19.775 -1.098 6.842 1.00 0.00 O ATOM 534 CB ALA A 50 -17.502 -3.092 7.415 1.00 0.00 C ATOM 0 H ALA A 50 -15.870 -2.112 5.827 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.617 -3.058 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.381 -3.237 8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.047 -4.059 7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.783 -2.462 7.938 1.00 0.00 H new ATOM 540 N ASN A 51 -17.961 0.008 6.106 1.00 0.00 N ATOM 541 CA ASN A 51 -18.559 1.324 6.320 1.00 0.00 C ATOM 542 C ASN A 51 -17.902 2.377 5.435 1.00 0.00 C ATOM 543 O ASN A 51 -16.787 2.187 4.948 1.00 0.00 O ATOM 544 CB ASN A 51 -18.448 1.726 7.793 1.00 0.00 C ATOM 545 CG ASN A 51 -19.798 2.030 8.414 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.346 3.117 8.235 1.00 0.00 O ATOM 547 ND2 ASN A 51 -20.340 1.068 9.151 1.00 0.00 N ATOM 0 H ASN A 51 -17.013 0.028 5.731 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.613 1.263 6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.968 0.922 8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.806 2.602 7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -21.246 1.215 9.595 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.850 0.182 9.273 1.00 0.00 H new ATOM 554 N MET A 52 -18.606 3.485 5.222 1.00 0.00 N ATOM 555 CA MET A 52 -18.096 4.566 4.388 1.00 0.00 C ATOM 556 C MET A 52 -18.697 5.907 4.791 1.00 0.00 C ATOM 557 O MET A 52 -19.914 6.040 4.923 1.00 0.00 O ATOM 558 CB MET A 52 -18.400 4.290 2.919 1.00 0.00 C ATOM 559 CG MET A 52 -17.425 4.950 1.959 1.00 0.00 C ATOM 560 SD MET A 52 -18.110 5.153 0.303 1.00 0.00 S ATOM 561 CE MET A 52 -19.319 3.831 0.268 1.00 0.00 C ATOM 0 H MET A 52 -19.531 3.657 5.616 1.00 0.00 H new ATOM 0 HA MET A 52 -17.017 4.615 4.533 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.389 3.213 2.751 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.409 4.637 2.694 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.139 5.926 2.352 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.516 4.351 1.901 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.673 3.689 -0.753 1.00 0.00 H new ATOM 0 HE2 MET A 52 -18.860 2.909 0.625 1.00 0.00 H new ATOM 0 HE3 MET A 52 -20.160 4.090 0.911 1.00 0.00 H new ATOM 571 N MET A 53 -17.838 6.905 4.972 1.00 0.00 N ATOM 572 CA MET A 53 -18.289 8.241 5.342 1.00 0.00 C ATOM 573 C MET A 53 -19.125 8.842 4.220 1.00 0.00 C ATOM 574 O MET A 53 -18.586 9.435 3.287 1.00 0.00 O ATOM 575 CB MET A 53 -17.093 9.146 5.645 1.00 0.00 C ATOM 576 CG MET A 53 -16.298 8.723 6.869 1.00 0.00 C ATOM 577 SD MET A 53 -15.618 10.128 7.776 1.00 0.00 S ATOM 578 CE MET A 53 -13.939 10.160 7.150 1.00 0.00 C ATOM 0 H MET A 53 -16.827 6.814 4.869 1.00 0.00 H new ATOM 0 HA MET A 53 -18.903 8.162 6.239 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.430 9.159 4.780 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.449 10.166 5.789 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.940 8.144 7.532 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.484 8.067 6.560 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.367 10.920 7.682 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.476 9.185 7.300 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.952 10.395 6.086 1.00 0.00 H new ATOM 588 N HIS A 54 -20.440 8.674 4.311 1.00 0.00 N ATOM 589 CA HIS A 54 -21.353 9.193 3.297 1.00 0.00 C ATOM 590 C HIS A 54 -21.198 10.702 3.140 1.00 0.00 C ATOM 591 O HIS A 54 -21.985 11.476 3.688 1.00 0.00 O ATOM 592 CB HIS A 54 -22.799 8.852 3.663 1.00 0.00 C ATOM 593 CG HIS A 54 -23.331 7.649 2.949 1.00 0.00 C ATOM 594 ND1 HIS A 54 -23.940 6.595 3.598 1.00 0.00 N ATOM 595 CD2 HIS A 54 -23.345 7.337 1.632 1.00 0.00 C ATOM 596 CE1 HIS A 54 -24.303 5.686 2.712 1.00 0.00 C ATOM 597 NE2 HIS A 54 -23.954 6.112 1.510 1.00 0.00 N ATOM 0 H HIS A 54 -20.899 8.182 5.078 1.00 0.00 H new ATOM 0 HA HIS A 54 -21.103 8.722 2.346 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.863 8.684 4.738 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.434 9.709 3.436 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.951 7.939 0.827 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -24.801 4.753 2.932 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -24.111 5.612 0.635 1.00 0.00 H new ATOM 606 N GLY A 55 -20.180 11.117 2.396 1.00 0.00 N ATOM 607 CA GLY A 55 -19.942 12.530 2.187 1.00 0.00 C ATOM 608 C GLY A 55 -18.540 12.794 1.696 1.00 0.00 C ATOM 609 O GLY A 55 -18.293 13.763 0.978 1.00 0.00 O ATOM 0 H GLY A 55 -19.514 10.498 1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.660 12.917 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.108 13.069 3.120 1.00 0.00 H new ATOM 613 N GLY A 56 -17.619 11.917 2.078 1.00 0.00 N ATOM 614 CA GLY A 56 -16.244 12.063 1.656 1.00 0.00 C ATOM 615 C GLY A 56 -16.067 11.734 0.188 1.00 0.00 C ATOM 616 O GLY A 56 -17.048 11.531 -0.529 1.00 0.00 O ATOM 0 H GLY A 56 -17.803 11.109 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.914 13.085 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.609 11.409 2.254 1.00 0.00 H new ATOM 620 N PRO A 57 -14.819 11.672 -0.291 1.00 0.00 N ATOM 621 CA PRO A 57 -14.521 11.364 -1.691 1.00 0.00 C ATOM 622 C PRO A 57 -14.832 9.915 -2.064 1.00 0.00 C ATOM 623 O PRO A 57 -14.862 9.569 -3.244 1.00 0.00 O ATOM 624 CB PRO A 57 -13.019 11.632 -1.804 1.00 0.00 C ATOM 625 CG PRO A 57 -12.498 11.438 -0.423 1.00 0.00 C ATOM 626 CD PRO A 57 -13.592 11.899 0.497 1.00 0.00 C ATOM 0 HA PRO A 57 -15.131 11.961 -2.369 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.546 10.946 -2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.822 12.642 -2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.250 10.392 -0.242 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.586 12.014 -0.265 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.601 11.331 1.427 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.475 12.949 0.766 1.00 0.00 H new ATOM 634 N ALA A 58 -15.036 9.060 -1.060 1.00 0.00 N ATOM 635 CA ALA A 58 -15.308 7.653 -1.319 1.00 0.00 C ATOM 636 C ALA A 58 -16.619 7.464 -2.072 1.00 0.00 C ATOM 637 O ALA A 58 -16.658 6.808 -3.113 1.00 0.00 O ATOM 638 CB ALA A 58 -15.332 6.874 -0.013 1.00 0.00 C ATOM 0 H ALA A 58 -15.018 9.317 -0.073 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.506 7.269 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.536 5.823 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.366 6.965 0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.111 7.274 0.635 1.00 0.00 H new ATOM 644 N GLU A 59 -17.690 8.049 -1.549 1.00 0.00 N ATOM 645 CA GLU A 59 -18.998 7.951 -2.190 1.00 0.00 C ATOM 646 C GLU A 59 -19.108 8.928 -3.354 1.00 0.00 C ATOM 647 O GLU A 59 -19.666 8.604 -4.401 1.00 0.00 O ATOM 648 CB GLU A 59 -20.124 8.199 -1.181 1.00 0.00 C ATOM 649 CG GLU A 59 -19.862 9.358 -0.236 1.00 0.00 C ATOM 650 CD GLU A 59 -20.976 10.388 -0.252 1.00 0.00 C ATOM 651 OE1 GLU A 59 -22.079 10.077 0.244 1.00 0.00 O ATOM 652 OE2 GLU A 59 -20.744 11.505 -0.762 1.00 0.00 O ATOM 0 H GLU A 59 -17.680 8.594 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.101 6.938 -2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.050 8.389 -1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.279 7.293 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -19.741 8.975 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.923 9.840 -0.509 1.00 0.00 H new ATOM 659 N LYS A 60 -18.574 10.132 -3.158 1.00 0.00 N ATOM 660 CA LYS A 60 -18.612 11.169 -4.184 1.00 0.00 C ATOM 661 C LYS A 60 -18.105 10.646 -5.525 1.00 0.00 C ATOM 662 O LYS A 60 -18.729 10.861 -6.564 1.00 0.00 O ATOM 663 CB LYS A 60 -17.780 12.374 -3.748 1.00 0.00 C ATOM 664 CG LYS A 60 -18.516 13.317 -2.811 1.00 0.00 C ATOM 665 CD LYS A 60 -18.077 14.759 -3.012 1.00 0.00 C ATOM 666 CE LYS A 60 -18.090 15.531 -1.704 1.00 0.00 C ATOM 667 NZ LYS A 60 -18.546 16.937 -1.893 1.00 0.00 N ATOM 0 H LYS A 60 -18.109 10.413 -2.295 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.651 11.474 -4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.874 12.020 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.466 12.927 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.590 13.236 -2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.333 13.021 -1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -17.074 14.779 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -18.738 15.245 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.746 15.029 -0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.090 15.529 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.541 17.430 -0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.906 17.424 -2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -19.511 16.940 -2.282 1.00 0.00 H new ATOM 681 N SER A 61 -16.967 9.958 -5.495 1.00 0.00 N ATOM 682 CA SER A 61 -16.375 9.406 -6.707 1.00 0.00 C ATOM 683 C SER A 61 -17.326 8.419 -7.376 1.00 0.00 C ATOM 684 O SER A 61 -17.878 8.696 -8.441 1.00 0.00 O ATOM 685 CB SER A 61 -15.047 8.717 -6.382 1.00 0.00 C ATOM 686 OG SER A 61 -13.957 9.417 -6.956 1.00 0.00 O ATOM 0 H SER A 61 -16.437 9.770 -4.644 1.00 0.00 H new ATOM 0 HA SER A 61 -16.189 10.227 -7.399 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.918 8.660 -5.301 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.064 7.693 -6.756 1.00 0.00 H new ATOM 0 HG SER A 61 -13.387 8.789 -7.447 1.00 0.00 H new ATOM 692 N GLY A 62 -17.508 7.264 -6.746 1.00 0.00 N ATOM 693 CA GLY A 62 -18.388 6.249 -7.295 1.00 0.00 C ATOM 694 C GLY A 62 -17.642 4.984 -7.677 1.00 0.00 C ATOM 695 O GLY A 62 -18.158 4.152 -8.424 1.00 0.00 O ATOM 0 H GLY A 62 -17.062 7.012 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.159 6.006 -6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -18.895 6.648 -8.173 1.00 0.00 H new ATOM 699 N LYS A 63 -16.425 4.839 -7.162 1.00 0.00 N ATOM 700 CA LYS A 63 -15.603 3.671 -7.448 1.00 0.00 C ATOM 701 C LYS A 63 -15.647 2.684 -6.287 1.00 0.00 C ATOM 702 O LYS A 63 -15.491 1.477 -6.478 1.00 0.00 O ATOM 703 CB LYS A 63 -14.157 4.095 -7.717 1.00 0.00 C ATOM 704 CG LYS A 63 -14.033 5.352 -8.565 1.00 0.00 C ATOM 705 CD LYS A 63 -14.227 5.050 -10.040 1.00 0.00 C ATOM 706 CE LYS A 63 -13.029 4.314 -10.621 1.00 0.00 C ATOM 707 NZ LYS A 63 -12.242 5.176 -11.545 1.00 0.00 N ATOM 0 H LYS A 63 -15.986 5.520 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.002 3.181 -8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.653 4.260 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.636 3.278 -8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.773 6.084 -8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.052 5.801 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.125 4.447 -10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.383 5.981 -10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.387 3.970 -9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.372 3.428 -11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.435 4.637 -11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.847 5.484 -12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.893 6.009 -11.030 1.00 0.00 H new ATOM 721 N LEU A 64 -15.859 3.206 -5.082 1.00 0.00 N ATOM 722 CA LEU A 64 -15.921 2.373 -3.888 1.00 0.00 C ATOM 723 C LEU A 64 -17.361 2.189 -3.424 1.00 0.00 C ATOM 724 O LEU A 64 -18.131 3.146 -3.358 1.00 0.00 O ATOM 725 CB LEU A 64 -15.093 2.991 -2.760 1.00 0.00 C ATOM 726 CG LEU A 64 -13.581 2.954 -2.976 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.857 3.581 -1.794 1.00 0.00 C ATOM 728 CD2 LEU A 64 -13.111 1.524 -3.195 1.00 0.00 C ATOM 0 H LEU A 64 -15.991 4.202 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.509 1.397 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.401 4.028 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.325 2.470 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.345 3.534 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.781 3.546 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.173 4.618 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.098 3.029 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.032 1.515 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.359 0.922 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.605 1.109 -4.074 1.00 0.00 H new ATOM 740 N ASN A 65 -17.713 0.952 -3.094 1.00 0.00 N ATOM 741 CA ASN A 65 -19.055 0.634 -2.626 1.00 0.00 C ATOM 742 C ASN A 65 -18.995 -0.423 -1.532 1.00 0.00 C ATOM 743 O ASN A 65 -18.382 -1.476 -1.713 1.00 0.00 O ATOM 744 CB ASN A 65 -19.924 0.143 -3.784 1.00 0.00 C ATOM 745 CG ASN A 65 -19.838 1.048 -4.999 1.00 0.00 C ATOM 746 OD1 ASN A 65 -19.882 2.272 -4.878 1.00 0.00 O ATOM 747 ND2 ASN A 65 -19.715 0.447 -6.176 1.00 0.00 N ATOM 0 H ASN A 65 -17.084 0.150 -3.143 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.501 1.540 -2.216 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.616 -0.865 -4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.961 0.080 -3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.653 1.003 -7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.683 -0.571 -6.228 1.00 0.00 H new ATOM 754 N ILE A 66 -19.624 -0.138 -0.396 1.00 0.00 N ATOM 755 CA ILE A 66 -19.633 -1.061 0.727 1.00 0.00 C ATOM 756 C ILE A 66 -19.876 -2.501 0.284 1.00 0.00 C ATOM 757 O ILE A 66 -20.652 -2.759 -0.637 1.00 0.00 O ATOM 758 CB ILE A 66 -20.687 -0.637 1.756 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.237 0.664 2.406 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.902 -1.718 2.807 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.043 0.497 3.314 1.00 0.00 C ATOM 0 H ILE A 66 -20.135 0.729 -0.231 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.645 -1.023 1.187 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.641 -0.488 1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -19.994 1.386 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.065 1.081 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.655 -1.386 3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.240 -2.634 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.965 -1.909 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -18.775 1.462 3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.289 -0.201 4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.201 0.109 2.740 1.00 0.00 H new ATOM 773 N GLY A 67 -19.196 -3.427 0.946 1.00 0.00 N ATOM 774 CA GLY A 67 -19.332 -4.832 0.613 1.00 0.00 C ATOM 775 C GLY A 67 -18.290 -5.293 -0.391 1.00 0.00 C ATOM 776 O GLY A 67 -18.446 -6.341 -1.018 1.00 0.00 O ATOM 0 H GLY A 67 -18.550 -3.230 1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.246 -5.428 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.328 -5.012 0.207 1.00 0.00 H new ATOM 780 N ASP A 68 -17.224 -4.509 -0.548 1.00 0.00 N ATOM 781 CA ASP A 68 -16.158 -4.848 -1.483 1.00 0.00 C ATOM 782 C ASP A 68 -14.931 -5.374 -0.746 1.00 0.00 C ATOM 783 O ASP A 68 -14.914 -5.448 0.483 1.00 0.00 O ATOM 784 CB ASP A 68 -15.779 -3.626 -2.320 1.00 0.00 C ATOM 785 CG ASP A 68 -16.896 -3.191 -3.250 1.00 0.00 C ATOM 786 OD1 ASP A 68 -17.864 -3.963 -3.418 1.00 0.00 O ATOM 787 OD2 ASP A 68 -16.802 -2.079 -3.810 1.00 0.00 O ATOM 0 H ASP A 68 -17.078 -3.637 -0.040 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.526 -5.634 -2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.521 -2.801 -1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.889 -3.853 -2.907 1.00 0.00 H new ATOM 792 N GLN A 69 -13.902 -5.737 -1.507 1.00 0.00 N ATOM 793 CA GLN A 69 -12.669 -6.259 -0.928 1.00 0.00 C ATOM 794 C GLN A 69 -11.446 -5.606 -1.570 1.00 0.00 C ATOM 795 O GLN A 69 -11.188 -5.788 -2.758 1.00 0.00 O ATOM 796 CB GLN A 69 -12.599 -7.775 -1.109 1.00 0.00 C ATOM 797 CG GLN A 69 -13.191 -8.553 0.054 1.00 0.00 C ATOM 798 CD GLN A 69 -12.204 -8.748 1.186 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.445 -8.323 2.314 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.083 -9.394 0.889 1.00 0.00 N ATOM 0 H GLN A 69 -13.898 -5.679 -2.525 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.670 -6.024 0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.125 -8.048 -2.024 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.558 -8.069 -1.240 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.069 -8.027 0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.530 -9.527 -0.300 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.924 -9.730 -0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.380 -9.555 1.611 1.00 0.00 H new ATOM 809 N ILE A 70 -10.696 -4.850 -0.774 1.00 0.00 N ATOM 810 CA ILE A 70 -9.500 -4.176 -1.269 1.00 0.00 C ATOM 811 C ILE A 70 -8.277 -5.080 -1.160 1.00 0.00 C ATOM 812 O ILE A 70 -7.970 -5.593 -0.085 1.00 0.00 O ATOM 813 CB ILE A 70 -9.232 -2.868 -0.498 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.501 -2.014 -0.450 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.087 -2.096 -1.139 1.00 0.00 C ATOM 816 CD1 ILE A 70 -10.686 -1.278 0.859 1.00 0.00 C ATOM 0 H ILE A 70 -10.894 -4.689 0.214 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.680 -3.938 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 70 -8.944 -3.117 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.472 -1.289 -1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.366 -2.654 -0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.912 -1.176 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.184 -2.706 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.344 -1.853 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.605 -0.694 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.747 -1.998 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.839 -0.612 1.025 1.00 0.00 H new ATOM 828 N MET A 71 -7.589 -5.281 -2.279 1.00 0.00 N ATOM 829 CA MET A 71 -6.407 -6.136 -2.305 1.00 0.00 C ATOM 830 C MET A 71 -5.141 -5.358 -1.957 1.00 0.00 C ATOM 831 O MET A 71 -4.310 -5.830 -1.182 1.00 0.00 O ATOM 832 CB MET A 71 -6.251 -6.787 -3.680 1.00 0.00 C ATOM 833 CG MET A 71 -7.221 -7.929 -3.924 1.00 0.00 C ATOM 834 SD MET A 71 -8.939 -7.384 -3.975 1.00 0.00 S ATOM 835 CE MET A 71 -9.751 -8.755 -3.158 1.00 0.00 C ATOM 0 H MET A 71 -7.829 -4.864 -3.179 1.00 0.00 H new ATOM 0 HA MET A 71 -6.547 -6.910 -1.550 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.394 -6.029 -4.450 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.232 -7.159 -3.784 1.00 0.00 H new ATOM 0 HG2 MET A 71 -6.971 -8.418 -4.866 1.00 0.00 H new ATOM 0 HG3 MET A 71 -7.104 -8.674 -3.137 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.698 -8.966 -3.655 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.112 -9.637 -3.205 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.938 -8.498 -2.115 1.00 0.00 H new ATOM 845 N SER A 72 -4.992 -4.172 -2.538 1.00 0.00 N ATOM 846 CA SER A 72 -3.813 -3.345 -2.284 1.00 0.00 C ATOM 847 C SER A 72 -4.086 -1.880 -2.604 1.00 0.00 C ATOM 848 O SER A 72 -4.815 -1.562 -3.542 1.00 0.00 O ATOM 849 CB SER A 72 -2.629 -3.845 -3.113 1.00 0.00 C ATOM 850 OG SER A 72 -2.765 -3.469 -4.473 1.00 0.00 O ATOM 0 H SER A 72 -5.667 -3.762 -3.184 1.00 0.00 H new ATOM 0 HA SER A 72 -3.571 -3.424 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.701 -3.438 -2.711 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.560 -4.930 -3.037 1.00 0.00 H new ATOM 0 HG SER A 72 -1.995 -3.799 -4.982 1.00 0.00 H new ATOM 856 N ILE A 73 -3.490 -0.991 -1.813 1.00 0.00 N ATOM 857 CA ILE A 73 -3.660 0.439 -2.003 1.00 0.00 C ATOM 858 C ILE A 73 -2.324 1.114 -2.304 1.00 0.00 C ATOM 859 O ILE A 73 -1.360 0.967 -1.551 1.00 0.00 O ATOM 860 CB ILE A 73 -4.286 1.089 -0.755 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.638 0.446 -0.439 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.436 2.584 -0.956 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.682 -0.226 0.914 1.00 0.00 C ATOM 0 H ILE A 73 -2.883 -1.242 -1.032 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.329 0.576 -2.853 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.622 0.923 0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.414 1.210 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.871 -0.289 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.880 3.028 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.456 3.027 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.080 2.773 -1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.669 -0.660 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.929 -1.013 0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.480 0.510 1.692 1.00 0.00 H new ATOM 875 N ASN A 74 -2.275 1.858 -3.403 1.00 0.00 N ATOM 876 CA ASN A 74 -1.060 2.562 -3.802 1.00 0.00 C ATOM 877 C ASN A 74 0.132 1.611 -3.885 1.00 0.00 C ATOM 878 O ASN A 74 1.279 2.024 -3.718 1.00 0.00 O ATOM 879 CB ASN A 74 -0.756 3.692 -2.817 1.00 0.00 C ATOM 880 CG ASN A 74 -1.675 4.883 -3.004 1.00 0.00 C ATOM 881 OD1 ASN A 74 -2.174 5.131 -4.101 1.00 0.00 O ATOM 882 ND2 ASN A 74 -1.904 5.629 -1.929 1.00 0.00 N ATOM 0 H ASN A 74 -3.064 1.990 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.229 2.983 -4.793 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.853 3.318 -1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.279 4.011 -2.942 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.514 6.444 -1.994 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.470 5.387 -1.038 1.00 0.00 H new ATOM 889 N GLY A 75 -0.144 0.337 -4.146 1.00 0.00 N ATOM 890 CA GLY A 75 0.919 -0.645 -4.249 1.00 0.00 C ATOM 891 C GLY A 75 1.051 -1.501 -3.002 1.00 0.00 C ATOM 892 O GLY A 75 1.595 -2.603 -3.055 1.00 0.00 O ATOM 0 H GLY A 75 -1.084 -0.032 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.731 -1.289 -5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.863 -0.133 -4.435 1.00 0.00 H new ATOM 896 N THR A 76 0.550 -0.995 -1.878 1.00 0.00 N ATOM 897 CA THR A 76 0.617 -1.726 -0.619 1.00 0.00 C ATOM 898 C THR A 76 -0.270 -2.965 -0.663 1.00 0.00 C ATOM 899 O THR A 76 -1.488 -2.875 -0.515 1.00 0.00 O ATOM 900 CB THR A 76 0.201 -0.826 0.539 1.00 0.00 C ATOM 901 OG1 THR A 76 0.740 0.476 0.384 1.00 0.00 O ATOM 902 CG2 THR A 76 0.639 -1.347 1.890 1.00 0.00 C ATOM 0 H THR A 76 0.095 -0.084 -1.815 1.00 0.00 H new ATOM 0 HA THR A 76 1.648 -2.046 -0.467 1.00 0.00 H new ATOM 0 HB THR A 76 -0.888 -0.807 0.511 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.141 1.013 -0.176 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.311 -0.659 2.669 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.197 -2.328 2.062 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.726 -1.430 1.913 1.00 0.00 H new ATOM 910 N SER A 77 0.350 -4.121 -0.872 1.00 0.00 N ATOM 911 CA SER A 77 -0.379 -5.380 -0.943 1.00 0.00 C ATOM 912 C SER A 77 -1.016 -5.727 0.399 1.00 0.00 C ATOM 913 O SER A 77 -0.319 -6.043 1.364 1.00 0.00 O ATOM 914 CB SER A 77 0.556 -6.509 -1.382 1.00 0.00 C ATOM 915 OG SER A 77 1.417 -6.081 -2.423 1.00 0.00 O ATOM 0 H SER A 77 1.358 -4.211 -0.995 1.00 0.00 H new ATOM 0 HA SER A 77 -1.175 -5.264 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.148 -6.847 -0.531 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.032 -7.362 -1.720 1.00 0.00 H new ATOM 0 HG SER A 77 2.006 -6.819 -2.685 1.00 0.00 H new ATOM 921 N LEU A 78 -2.342 -5.674 0.449 1.00 0.00 N ATOM 922 CA LEU A 78 -3.076 -5.991 1.670 1.00 0.00 C ATOM 923 C LEU A 78 -3.440 -7.472 1.716 1.00 0.00 C ATOM 924 O LEU A 78 -3.715 -8.019 2.783 1.00 0.00 O ATOM 925 CB LEU A 78 -4.349 -5.147 1.766 1.00 0.00 C ATOM 926 CG LEU A 78 -4.125 -3.643 1.920 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.450 -2.933 2.161 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.152 -3.363 3.058 1.00 0.00 C ATOM 0 H LEU A 78 -2.932 -5.414 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.430 -5.761 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.948 -5.319 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.936 -5.499 2.615 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.691 -3.260 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.275 -1.863 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.116 -3.109 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.909 -3.319 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.004 -2.287 3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.558 -3.758 3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.197 -3.843 2.846 1.00 0.00 H new ATOM 940 N VAL A 79 -3.444 -8.114 0.550 1.00 0.00 N ATOM 941 CA VAL A 79 -3.779 -9.530 0.454 1.00 0.00 C ATOM 942 C VAL A 79 -2.905 -10.372 1.379 1.00 0.00 C ATOM 943 O VAL A 79 -1.847 -10.857 0.977 1.00 0.00 O ATOM 944 CB VAL A 79 -3.625 -10.046 -0.989 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.154 -11.466 -1.110 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.333 -9.118 -1.965 1.00 0.00 C ATOM 0 H VAL A 79 -3.218 -7.674 -0.342 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.821 -9.627 0.760 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.564 -10.059 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.036 -11.812 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.596 -12.120 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.210 -11.485 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.214 -9.498 -2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.393 -9.070 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.900 -8.120 -1.898 1.00 0.00 H new ATOM 956 N GLY A 80 -3.355 -10.544 2.618 1.00 0.00 N ATOM 957 CA GLY A 80 -2.601 -11.329 3.579 1.00 0.00 C ATOM 958 C GLY A 80 -2.359 -10.587 4.879 1.00 0.00 C ATOM 959 O GLY A 80 -2.182 -11.206 5.929 1.00 0.00 O ATOM 0 H GLY A 80 -4.228 -10.154 2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.138 -12.254 3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.643 -11.609 3.141 1.00 0.00 H new ATOM 963 N LEU A 81 -2.351 -9.259 4.811 1.00 0.00 N ATOM 964 CA LEU A 81 -2.125 -8.437 5.997 1.00 0.00 C ATOM 965 C LEU A 81 -3.382 -8.362 6.860 1.00 0.00 C ATOM 966 O LEU A 81 -4.500 -8.482 6.356 1.00 0.00 O ATOM 967 CB LEU A 81 -1.693 -7.023 5.596 1.00 0.00 C ATOM 968 CG LEU A 81 -0.791 -6.934 4.363 1.00 0.00 C ATOM 969 CD1 LEU A 81 -0.226 -5.529 4.220 1.00 0.00 C ATOM 970 CD2 LEU A 81 0.335 -7.955 4.449 1.00 0.00 C ATOM 0 H LEU A 81 -2.498 -8.730 3.951 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.330 -8.905 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.587 -6.427 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.173 -6.568 6.439 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.390 -7.158 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.413 -5.482 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.044 -4.817 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.358 -5.280 5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.966 -7.877 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.934 -7.762 5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.087 -8.958 4.506 1.00 0.00 H new ATOM 982 N PRO A 82 -3.214 -8.156 8.177 1.00 0.00 N ATOM 983 CA PRO A 82 -4.339 -8.057 9.110 1.00 0.00 C ATOM 984 C PRO A 82 -5.106 -6.751 8.941 1.00 0.00 C ATOM 985 O PRO A 82 -4.887 -6.014 7.980 1.00 0.00 O ATOM 986 CB PRO A 82 -3.664 -8.109 10.482 1.00 0.00 C ATOM 987 CG PRO A 82 -2.298 -7.566 10.247 1.00 0.00 C ATOM 988 CD PRO A 82 -1.915 -7.995 8.857 1.00 0.00 C ATOM 0 HA PRO A 82 -5.076 -8.845 8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.208 -7.512 11.214 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.625 -9.128 10.867 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.289 -6.480 10.336 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.593 -7.952 10.983 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.293 -7.248 8.363 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.348 -8.926 8.866 1.00 0.00 H new ATOM 996 N LEU A 83 -6.006 -6.467 9.876 1.00 0.00 N ATOM 997 CA LEU A 83 -6.801 -5.247 9.817 1.00 0.00 C ATOM 998 C LEU A 83 -5.996 -4.041 10.284 1.00 0.00 C ATOM 999 O LEU A 83 -5.917 -3.030 9.587 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.066 -5.383 10.671 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.316 -4.698 10.109 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -10.324 -4.439 11.219 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -8.957 -3.397 9.404 1.00 0.00 C ATOM 0 H LEU A 83 -6.202 -7.063 10.680 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.087 -5.093 8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.282 -6.443 10.803 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.862 -4.973 11.660 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.767 -5.367 9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.206 -3.952 10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.613 -5.385 11.676 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.876 -3.794 11.974 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.863 -2.932 9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.477 -2.721 10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.274 -3.606 8.581 1.00 0.00 H new ATOM 1015 N SER A 84 -5.399 -4.150 11.466 1.00 0.00 N ATOM 1016 CA SER A 84 -4.603 -3.059 12.017 1.00 0.00 C ATOM 1017 C SER A 84 -3.549 -2.611 11.012 1.00 0.00 C ATOM 1018 O SER A 84 -3.303 -1.414 10.840 1.00 0.00 O ATOM 1019 CB SER A 84 -3.931 -3.498 13.320 1.00 0.00 C ATOM 1020 OG SER A 84 -3.619 -4.879 13.294 1.00 0.00 O ATOM 0 H SER A 84 -5.451 -4.979 12.059 1.00 0.00 H new ATOM 0 HA SER A 84 -5.266 -2.220 12.228 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.020 -2.919 13.476 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.591 -3.287 14.162 1.00 0.00 H new ATOM 0 HG SER A 84 -3.189 -5.133 14.137 1.00 0.00 H new ATOM 1026 N THR A 85 -2.940 -3.579 10.340 1.00 0.00 N ATOM 1027 CA THR A 85 -1.924 -3.288 9.344 1.00 0.00 C ATOM 1028 C THR A 85 -2.529 -2.531 8.166 1.00 0.00 C ATOM 1029 O THR A 85 -2.012 -1.492 7.761 1.00 0.00 O ATOM 1030 CB THR A 85 -1.265 -4.581 8.862 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.537 -5.197 9.913 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.310 -4.381 7.704 1.00 0.00 C ATOM 0 H THR A 85 -3.134 -4.572 10.468 1.00 0.00 H new ATOM 0 HA THR A 85 -1.162 -2.659 9.804 1.00 0.00 H new ATOM 0 HB THR A 85 -2.089 -5.210 8.525 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.003 -5.931 9.551 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.119 -5.341 7.416 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.849 -3.956 6.857 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.488 -3.702 8.004 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.632 -3.051 7.625 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.299 -2.412 6.495 1.00 0.00 C ATOM 1042 C CYS A 86 -4.722 -0.992 6.851 1.00 0.00 C ATOM 1043 O CYS A 86 -4.427 -0.047 6.120 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.519 -3.227 6.063 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.116 -4.824 5.320 1.00 0.00 S ATOM 0 H CYS A 86 -4.079 -3.908 7.951 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.593 -2.368 5.666 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.157 -3.393 6.931 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.098 -2.642 5.349 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.984 -5.717 6.256 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.404 -0.844 7.983 1.00 0.00 N ATOM 1052 CA GLN A 87 -5.854 0.468 8.435 1.00 0.00 C ATOM 1053 C GLN A 87 -4.702 1.463 8.389 1.00 0.00 C ATOM 1054 O GLN A 87 -4.861 2.596 7.935 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.418 0.378 9.854 1.00 0.00 C ATOM 1056 CG GLN A 87 -7.897 0.030 9.896 1.00 0.00 C ATOM 1057 CD GLN A 87 -8.330 -0.517 11.241 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -9.267 -0.009 11.859 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -7.650 -1.560 11.703 1.00 0.00 N ATOM 0 H GLN A 87 -5.656 -1.614 8.602 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.644 0.814 7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.860 -0.374 10.412 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.262 1.331 10.360 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.482 0.920 9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.115 -0.705 9.122 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.881 -1.949 11.158 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.897 -1.972 12.603 1.00 0.00 H new ATOM 1068 N SER A 88 -3.536 1.023 8.852 1.00 0.00 N ATOM 1069 CA SER A 88 -2.351 1.862 8.854 1.00 0.00 C ATOM 1070 C SER A 88 -1.976 2.269 7.429 1.00 0.00 C ATOM 1071 O SER A 88 -1.556 3.402 7.182 1.00 0.00 O ATOM 1072 CB SER A 88 -1.181 1.128 9.512 1.00 0.00 C ATOM 1073 OG SER A 88 -1.358 1.042 10.914 1.00 0.00 O ATOM 0 H SER A 88 -3.390 0.087 9.231 1.00 0.00 H new ATOM 0 HA SER A 88 -2.572 2.763 9.427 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.093 0.126 9.091 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.250 1.650 9.291 1.00 0.00 H new ATOM 0 HG SER A 88 -1.977 0.311 11.121 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.127 1.333 6.495 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.803 1.584 5.096 1.00 0.00 C ATOM 1081 C ILE A 89 -2.602 2.752 4.532 1.00 0.00 C ATOM 1082 O ILE A 89 -2.044 3.656 3.914 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.092 0.343 4.234 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.523 -0.912 4.890 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.526 0.521 2.837 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.034 -0.842 5.145 1.00 0.00 C ATOM 0 H ILE A 89 -2.473 0.392 6.684 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.741 1.825 5.063 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.173 0.225 4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.037 -1.082 5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.734 -1.771 4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.740 -0.367 2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.983 1.392 2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.447 0.666 2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.299 -1.769 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.491 -0.704 4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.183 -0.003 5.807 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.913 2.716 4.735 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.792 3.753 4.235 1.00 0.00 C ATOM 1100 C ILE A 90 -4.565 5.086 4.940 1.00 0.00 C ATOM 1101 O ILE A 90 -4.403 6.117 4.288 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.260 3.334 4.396 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.480 1.933 3.819 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -7.156 4.340 3.710 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.746 1.267 4.309 1.00 0.00 C ATOM 0 H ILE A 90 -4.389 1.973 5.246 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.560 3.886 3.178 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.509 3.308 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.512 1.998 2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.627 1.305 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.197 4.039 3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.010 5.323 4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.908 4.385 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.835 0.279 3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.709 1.169 5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.608 1.873 4.028 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.555 5.071 6.269 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.345 6.299 7.029 1.00 0.00 C ATOM 1119 C LYS A 91 -2.999 6.927 6.686 1.00 0.00 C ATOM 1120 O LYS A 91 -2.790 8.123 6.887 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.437 6.032 8.529 1.00 0.00 C ATOM 1122 CG LYS A 91 -3.490 4.953 9.006 1.00 0.00 C ATOM 1123 CD LYS A 91 -2.156 5.538 9.439 1.00 0.00 C ATOM 1124 CE LYS A 91 -2.095 5.733 10.945 1.00 0.00 C ATOM 1125 NZ LYS A 91 -2.492 4.501 11.681 1.00 0.00 N ATOM 0 H LYS A 91 -4.688 4.234 6.837 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.133 7.000 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.226 6.955 9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.459 5.744 8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.940 4.414 9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.329 4.229 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.348 4.877 9.124 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.998 6.494 8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.083 6.018 11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.752 6.555 11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.098 4.529 12.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.529 4.447 11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.126 3.665 11.182 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.097 6.113 6.154 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.785 6.604 5.776 1.00 0.00 C ATOM 1141 C GLY A 92 -0.826 7.467 4.528 1.00 0.00 C ATOM 1142 O GLY A 92 -0.125 8.474 4.438 1.00 0.00 O ATOM 0 H GLY A 92 -2.250 5.120 5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.365 7.181 6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.118 5.758 5.607 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.654 7.071 3.561 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.784 7.819 2.312 1.00 0.00 C ATOM 1148 C LEU A 93 -2.930 8.823 2.393 1.00 0.00 C ATOM 1149 O LEU A 93 -3.739 8.936 1.470 1.00 0.00 O ATOM 1150 CB LEU A 93 -1.999 6.870 1.133 1.00 0.00 C ATOM 1151 CG LEU A 93 -3.088 5.819 1.340 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -4.164 5.944 0.275 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.486 4.422 1.333 1.00 0.00 C ATOM 0 H LEU A 93 -2.242 6.240 3.619 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.856 8.368 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.248 7.461 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.059 6.360 0.920 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.551 5.990 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.930 5.186 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.616 6.934 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.719 5.801 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.275 3.685 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.997 4.242 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.754 4.337 2.136 1.00 0.00 H new ATOM 1165 N LYS A 94 -2.991 9.554 3.500 1.00 0.00 N ATOM 1166 CA LYS A 94 -4.032 10.552 3.704 1.00 0.00 C ATOM 1167 C LYS A 94 -3.626 11.904 3.117 1.00 0.00 C ATOM 1168 O LYS A 94 -4.421 12.844 3.103 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.334 10.702 5.198 1.00 0.00 C ATOM 1170 CG LYS A 94 -5.324 11.810 5.517 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.616 13.088 5.943 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.874 13.410 7.406 1.00 0.00 C ATOM 1173 NZ LYS A 94 -4.784 14.871 7.682 1.00 0.00 N ATOM 0 H LYS A 94 -2.329 9.473 4.272 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.929 10.212 3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.726 9.758 5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.402 10.896 5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.942 12.010 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.994 11.482 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.544 12.983 5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.956 13.917 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.863 13.049 7.687 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.152 12.879 8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.428 15.021 8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.134 15.313 7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.727 15.300 7.590 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.386 12.004 2.640 1.00 0.00 N ATOM 1188 CA ASN A 95 -1.891 13.251 2.067 1.00 0.00 C ATOM 1189 C ASN A 95 -1.593 13.100 0.576 1.00 0.00 C ATOM 1190 O ASN A 95 -0.518 13.476 0.109 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.634 13.710 2.808 1.00 0.00 C ATOM 1192 CG ASN A 95 -0.940 14.213 4.205 1.00 0.00 C ATOM 1193 OD1 ASN A 95 -1.924 14.919 4.422 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -0.094 13.849 5.161 1.00 0.00 N ATOM 0 H ASN A 95 -1.710 11.240 2.640 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.671 14.004 2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.072 12.882 2.869 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.148 14.502 2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.247 14.156 6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.709 13.262 4.935 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.552 12.558 -0.168 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.391 12.373 -1.608 1.00 0.00 C ATOM 1203 C GLN A 96 -3.593 12.935 -2.361 1.00 0.00 C ATOM 1204 O GLN A 96 -4.656 13.146 -1.779 1.00 0.00 O ATOM 1205 CB GLN A 96 -2.195 10.895 -1.962 1.00 0.00 C ATOM 1206 CG GLN A 96 -2.478 9.941 -0.816 1.00 0.00 C ATOM 1207 CD GLN A 96 -1.265 9.719 0.067 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -1.093 10.386 1.088 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -0.412 8.777 -0.323 1.00 0.00 N ATOM 0 H GLN A 96 -3.448 12.239 0.201 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.497 12.918 -1.911 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.846 10.644 -2.799 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.169 10.746 -2.300 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.296 10.335 -0.213 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.811 8.984 -1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.592 8.247 -1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.423 8.584 0.231 1.00 0.00 H new ATOM 1218 N SER A 97 -3.415 13.179 -3.654 1.00 0.00 N ATOM 1219 CA SER A 97 -4.487 13.719 -4.484 1.00 0.00 C ATOM 1220 C SER A 97 -5.272 12.608 -5.179 1.00 0.00 C ATOM 1221 O SER A 97 -6.340 12.849 -5.741 1.00 0.00 O ATOM 1222 CB SER A 97 -3.916 14.684 -5.523 1.00 0.00 C ATOM 1223 OG SER A 97 -4.939 15.212 -6.349 1.00 0.00 O ATOM 0 H SER A 97 -2.540 13.012 -4.151 1.00 0.00 H new ATOM 0 HA SER A 97 -5.173 14.257 -3.830 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.395 15.498 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.179 14.167 -6.138 1.00 0.00 H new ATOM 0 HG SER A 97 -5.732 14.638 -6.295 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.743 11.391 -5.129 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.401 10.245 -5.750 1.00 0.00 C ATOM 1231 C ARG A 98 -5.256 9.004 -4.882 1.00 0.00 C ATOM 1232 O ARG A 98 -4.189 8.745 -4.324 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.813 9.965 -7.135 1.00 0.00 C ATOM 1234 CG ARG A 98 -4.720 11.189 -8.029 1.00 0.00 C ATOM 1235 CD ARG A 98 -6.080 11.575 -8.587 1.00 0.00 C ATOM 1236 NE ARG A 98 -6.109 12.961 -9.048 1.00 0.00 N ATOM 1237 CZ ARG A 98 -5.483 13.392 -10.141 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -4.781 12.549 -10.888 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -5.560 14.669 -10.488 1.00 0.00 N ATOM 0 H ARG A 98 -3.861 11.171 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.459 10.488 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.817 9.539 -7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.424 9.211 -7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.307 12.024 -7.463 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.032 10.990 -8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.334 10.912 -9.414 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.841 11.432 -7.819 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.640 13.638 -8.500 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.719 11.565 -10.626 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.303 12.885 -11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.099 15.321 -9.918 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.081 15.000 -11.325 1.00 0.00 H new ATOM 1253 N VAL A 99 -6.329 8.231 -4.778 1.00 0.00 N ATOM 1254 CA VAL A 99 -6.312 7.010 -3.986 1.00 0.00 C ATOM 1255 C VAL A 99 -6.452 5.786 -4.882 1.00 0.00 C ATOM 1256 O VAL A 99 -7.543 5.476 -5.361 1.00 0.00 O ATOM 1257 CB VAL A 99 -7.439 6.997 -2.938 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -7.240 5.856 -1.954 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -7.511 8.331 -2.211 1.00 0.00 C ATOM 0 H VAL A 99 -7.221 8.428 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.353 6.979 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.386 6.841 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.046 5.863 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.246 4.907 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.285 5.978 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.314 8.301 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.564 8.522 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.707 9.127 -2.930 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.341 5.094 -5.106 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.335 3.908 -5.942 1.00 0.00 C ATOM 1271 C LYS A 100 -5.585 2.663 -5.101 1.00 0.00 C ATOM 1272 O LYS A 100 -4.808 2.349 -4.199 1.00 0.00 O ATOM 1273 CB LYS A 100 -3.992 3.786 -6.657 1.00 0.00 C ATOM 1274 CG LYS A 100 -4.051 2.921 -7.900 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.513 3.648 -9.125 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.607 3.901 -10.149 1.00 0.00 C ATOM 1277 NZ LYS A 100 -4.549 2.931 -11.277 1.00 0.00 N ATOM 0 H LYS A 100 -4.431 5.339 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.132 3.998 -6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.643 4.781 -6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.258 3.370 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.475 2.011 -7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.082 2.617 -8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.071 4.597 -8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.718 3.057 -9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.581 3.835 -9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.513 4.915 -10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.312 3.138 -11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.630 3.011 -11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.665 1.965 -10.910 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.672 1.956 -5.391 1.00 0.00 N ATOM 1292 CA LEU A 101 -7.004 0.751 -4.642 1.00 0.00 C ATOM 1293 C LEU A 101 -7.511 -0.347 -5.554 1.00 0.00 C ATOM 1294 O LEU A 101 -8.558 -0.216 -6.178 1.00 0.00 O ATOM 1295 CB LEU A 101 -8.060 1.032 -3.573 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.270 2.502 -3.222 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.724 2.890 -3.427 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.833 2.768 -1.794 1.00 0.00 C ATOM 0 H LEU A 101 -7.332 2.194 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.083 0.421 -4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.011 0.618 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.783 0.496 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.659 3.114 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.859 3.941 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.000 2.730 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.358 2.277 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.988 3.820 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.420 2.152 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.776 2.523 -1.685 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.780 -1.440 -5.593 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.172 -2.586 -6.400 1.00 0.00 C ATOM 1312 C ASN A 102 -8.109 -3.470 -5.593 1.00 0.00 C ATOM 1313 O ASN A 102 -7.663 -4.294 -4.795 1.00 0.00 O ATOM 1314 CB ASN A 102 -5.943 -3.377 -6.851 1.00 0.00 C ATOM 1315 CG ASN A 102 -5.581 -3.099 -8.296 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -4.418 -2.861 -8.622 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -6.579 -3.124 -9.171 1.00 0.00 N ATOM 0 H ASN A 102 -5.909 -1.564 -5.076 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.688 -2.234 -7.293 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.097 -3.126 -6.212 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.133 -4.443 -6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.397 -2.941 -10.158 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -7.528 -3.326 -8.856 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.410 -3.274 -5.776 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.397 -4.042 -5.025 1.00 0.00 C ATOM 1326 C ILE A 103 -11.272 -4.896 -5.938 1.00 0.00 C ATOM 1327 O ILE A 103 -11.223 -4.776 -7.161 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.276 -3.114 -4.145 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.533 -2.644 -4.881 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.476 -1.906 -3.679 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.579 -2.085 -3.948 1.00 0.00 C ATOM 0 H ILE A 103 -9.803 -2.598 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.843 -4.717 -4.372 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.591 -3.699 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.258 -1.882 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.957 -3.480 -5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.108 -1.266 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.619 -2.241 -3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.127 -1.345 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.448 -1.767 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.878 -2.853 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.168 -1.230 -3.411 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.076 -5.757 -5.320 1.00 0.00 N ATOM 1344 CA VAL A 104 -12.974 -6.637 -6.054 1.00 0.00 C ATOM 1345 C VAL A 104 -14.411 -6.456 -5.579 1.00 0.00 C ATOM 1346 O VAL A 104 -14.692 -6.519 -4.381 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.569 -8.115 -5.884 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.441 -9.015 -6.748 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -11.098 -8.310 -6.217 1.00 0.00 C ATOM 0 H VAL A 104 -12.122 -5.862 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.902 -6.369 -7.108 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.722 -8.393 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.138 -10.053 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.485 -8.900 -6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.325 -8.737 -7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.832 -9.360 -6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.916 -8.011 -7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.490 -7.699 -5.550 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.318 -6.225 -6.522 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.726 -6.030 -6.193 1.00 0.00 C ATOM 1361 C ARG A 105 -17.397 -7.363 -5.879 1.00 0.00 C ATOM 1362 O ARG A 105 -17.338 -8.301 -6.675 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.450 -5.334 -7.346 1.00 0.00 C ATOM 1364 CG ARG A 105 -17.561 -3.827 -7.172 1.00 0.00 C ATOM 1365 CD ARG A 105 -18.473 -3.208 -8.219 1.00 0.00 C ATOM 1366 NE ARG A 105 -18.224 -1.778 -8.381 1.00 0.00 N ATOM 1367 CZ ARG A 105 -18.713 -1.049 -9.382 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -19.478 -1.610 -10.309 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -18.437 0.246 -9.455 1.00 0.00 N ATOM 0 H ARG A 105 -15.105 -6.168 -7.518 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.785 -5.397 -5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.923 -5.546 -8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -18.451 -5.755 -7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -17.944 -3.602 -6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -16.570 -3.378 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -18.325 -3.713 -9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -19.513 -3.365 -7.933 1.00 0.00 H new ATOM 0 HE ARG A 105 -17.641 -1.310 -7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -19.695 -2.605 -10.257 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -19.850 -1.046 -11.073 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -17.850 0.683 -8.744 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -18.811 0.805 -10.222 1.00 0.00 H new ATOM 1384 N PRO B -3 -16.256 1.920 14.145 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.134 2.000 13.204 1.00 0.00 C ATOM 1386 C PRO B -3 -14.275 3.242 13.419 1.00 0.00 C ATOM 1387 O PRO B -3 -14.713 4.216 14.030 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.816 2.065 11.836 1.00 0.00 C ATOM 1389 CG PRO B -3 -17.159 1.458 12.047 1.00 0.00 C ATOM 1390 CD PRO B -3 -17.553 1.821 13.451 1.00 0.00 C ATOM 0 H2 PRO B -3 -16.255 2.745 14.745 1.00 0.00 H new ATOM 0 H3 PRO B -3 -16.133 1.109 14.751 1.00 0.00 H new ATOM 0 HA PRO B -3 -14.453 1.157 13.321 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -15.898 3.093 11.484 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -15.248 1.516 11.085 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -17.880 1.843 11.326 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.125 0.376 11.917 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -18.102 2.762 13.485 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.194 1.062 13.899 1.00 0.00 H new ATOM 1398 N VAL B -2 -13.054 3.198 12.900 1.00 0.00 N ATOM 1399 CA VAL B -2 -12.130 4.319 13.019 1.00 0.00 C ATOM 1400 C VAL B -2 -12.144 5.170 11.752 1.00 0.00 C ATOM 1401 O VAL B -2 -11.800 6.351 11.779 1.00 0.00 O ATOM 1402 CB VAL B -2 -10.690 3.837 13.288 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -10.616 3.098 14.615 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -10.194 2.958 12.148 1.00 0.00 C ATOM 0 H VAL B -2 -12.680 2.397 12.392 1.00 0.00 H new ATOM 0 HA VAL B -2 -12.463 4.920 13.865 1.00 0.00 H new ATOM 0 HB VAL B -2 -10.040 4.710 13.347 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -9.593 2.765 14.789 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -10.922 3.765 15.421 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -11.279 2.234 14.588 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -9.176 2.629 12.358 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -10.844 2.088 12.050 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -10.207 3.527 11.218 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.553 4.558 10.643 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.624 5.250 9.361 1.00 0.00 C ATOM 1416 C TYR B -1 -11.243 5.698 8.896 1.00 0.00 C ATOM 1417 O TYR B -1 -10.446 6.216 9.678 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.558 6.456 9.458 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.997 6.131 9.128 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.388 5.868 7.821 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.964 6.087 10.124 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.701 5.569 7.516 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -17.279 5.788 9.827 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.644 5.531 8.522 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.954 5.235 8.222 1.00 0.00 O ATOM 0 H TYR B -1 -12.841 3.580 10.608 1.00 0.00 H new ATOM 0 HA TYR B -1 -13.020 4.549 8.626 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.508 6.864 10.467 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -13.205 7.234 8.782 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.653 5.898 7.030 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.683 6.290 11.147 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -16.988 5.366 6.495 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -18.019 5.756 10.613 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.207 4.393 8.656 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.972 5.497 7.611 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.697 5.881 7.024 1.00 0.00 C ATOM 1437 C ILE B 0 -9.905 6.872 5.891 1.00 0.00 C ATOM 1438 O ILE B 0 -11.070 7.258 5.657 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.925 4.655 6.495 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.761 3.882 5.467 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.531 3.745 7.648 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -10.082 4.663 4.208 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.905 7.241 5.241 1.00 0.00 O ATOM 0 H ILE B 0 -11.624 5.068 6.954 1.00 0.00 H new ATOM 0 HA ILE B 0 -9.107 6.349 7.812 1.00 0.00 H new ATOM 0 HB ILE B 0 -8.021 5.008 5.999 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.226 2.974 5.190 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.695 3.571 5.936 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -7.987 2.883 7.262 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.896 4.293 8.344 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.428 3.405 8.166 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.675 4.043 3.536 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.647 5.558 4.469 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.155 4.951 3.712 1.00 0.00 H new