USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 872 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 105 HIS : no HD1:sc= 0.315 K(o=0.66,f=-2.4) USER MOD Set 1.2: A 106 HIS : no HE2:sc= 0.347 K(o=0.66,f=-3) USER MOD Set 2.1: A 86 ASN : amide:sc= -0.753 K(o=-0.16,f=-9.3!) USER MOD Set 2.2: A 89 SER OG : rot -21:sc= 0.597 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -150:sc= -0.706 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.47 K(o=-1.5,f=-5.8!) USER MOD Single : A 16 GLN : amide:sc= -1.36! K(o=-1.4!,f=-0.014) USER MOD Single : A 19 ASN : amide:sc= -4.76! C(o=-4.8!,f=-5.1!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 0.0882 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0199 X(o=-0.02,f=-0.5) USER MOD Single : A 30 ASN : amide:sc= -2.22 K(o=-2.2,f=-3.9!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.495 X(o=-0.5,f=-0.56) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -176:sc= -4.9! USER MOD Single : A 37 GLN : amide:sc= -0.484 K(o=-0.48,f=-1.3) USER MOD Single : A 45 THR OG1 : rot -86:sc= 0.948 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= -0.0086 (180deg=-0.183) USER MOD Single : A 55 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.023) USER MOD Single : A 63 GLN : amide:sc= 0.473 K(o=0.47,f=-0.54) USER MOD Single : A 66 SER OG : rot 154:sc= -0.302 USER MOD Single : A 67 TYR OH : rot 130:sc= -0.493! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0514 K(o=-0.051,f=-2.1!) USER MOD Single : A 82 GLN : amide:sc= -5.92! X(o=-5.9!,f=-5.4) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0711 K(o=-0.071,f=-2.2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -149:sc= 0.816 (180deg=0.0547) USER MOD Single : A 95 SER OG : rot -32:sc= 0.172 USER MOD Single : A 104 HIS : no HE2:sc= 0.386 K(o=0.39,f=-2.6!) USER MOD Single : A 107 HIS : no HD1:sc= -0.388 X(o=-0.39,f=-0.16) USER MOD Single : A 108 HIS : no HD1:sc= -0.0535 X(o=-0.053,f=-0.47) USER MOD Single : A 109 HIS : no HD1:sc= -0.0205 X(o=-0.021,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.581 13.454 -14.196 1.00 0.00 N ATOM 2 CA MET A 1 -11.759 13.444 -15.440 1.00 0.00 C ATOM 3 C MET A 1 -10.367 12.903 -15.126 1.00 0.00 C ATOM 4 O MET A 1 -10.014 11.808 -15.512 1.00 0.00 O ATOM 5 CB MET A 1 -11.628 14.870 -15.979 1.00 0.00 C ATOM 6 CG MET A 1 -10.966 14.840 -17.362 1.00 0.00 C ATOM 7 SD MET A 1 -12.107 14.103 -18.563 1.00 0.00 S ATOM 8 CE MET A 1 -12.621 15.628 -19.394 1.00 0.00 C ATOM 0 H1 MET A 1 -13.530 13.823 -14.410 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.661 12.486 -13.825 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.126 14.061 -13.484 1.00 0.00 H new ATOM 0 HA MET A 1 -12.242 12.812 -16.185 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.611 15.336 -16.046 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.034 15.475 -15.294 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.699 15.851 -17.671 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.041 14.264 -17.322 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.336 15.390 -20.182 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.087 16.297 -18.671 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.750 16.116 -19.831 1.00 0.00 H new ATOM 20 N GLU A 2 -9.563 13.669 -14.447 1.00 0.00 N ATOM 21 CA GLU A 2 -8.186 13.198 -14.133 1.00 0.00 C ATOM 22 C GLU A 2 -8.230 12.224 -12.939 1.00 0.00 C ATOM 23 O GLU A 2 -9.148 12.263 -12.144 1.00 0.00 O ATOM 24 CB GLU A 2 -7.308 14.415 -13.790 1.00 0.00 C ATOM 25 CG GLU A 2 -6.755 15.035 -15.080 1.00 0.00 C ATOM 26 CD GLU A 2 -6.100 16.380 -14.762 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.938 16.376 -14.389 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.771 17.390 -14.894 1.00 0.00 O ATOM 0 H GLU A 2 -9.797 14.598 -14.096 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.767 12.678 -14.994 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.892 15.154 -13.242 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.487 14.112 -13.140 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.027 14.363 -15.536 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.559 15.172 -15.803 1.00 0.00 H new ATOM 35 N PRO A 3 -7.236 11.363 -12.797 1.00 0.00 N ATOM 36 CA PRO A 3 -7.180 10.395 -11.656 1.00 0.00 C ATOM 37 C PRO A 3 -7.405 11.080 -10.298 1.00 0.00 C ATOM 38 O PRO A 3 -6.978 12.194 -10.074 1.00 0.00 O ATOM 39 CB PRO A 3 -5.752 9.819 -11.728 1.00 0.00 C ATOM 40 CG PRO A 3 -5.325 9.983 -13.152 1.00 0.00 C ATOM 41 CD PRO A 3 -6.078 11.200 -13.707 1.00 0.00 C ATOM 0 HA PRO A 3 -7.961 9.639 -11.734 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.080 10.350 -11.053 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.737 8.770 -11.432 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.247 10.133 -13.217 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.557 9.089 -13.730 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.448 12.089 -13.711 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.401 11.033 -14.735 1.00 0.00 H new ATOM 49 N GLN A 4 -8.072 10.415 -9.392 1.00 0.00 N ATOM 50 CA GLN A 4 -8.327 11.016 -8.052 1.00 0.00 C ATOM 51 C GLN A 4 -7.061 10.917 -7.198 1.00 0.00 C ATOM 52 O GLN A 4 -6.599 9.840 -6.872 1.00 0.00 O ATOM 53 CB GLN A 4 -9.468 10.256 -7.374 1.00 0.00 C ATOM 54 CG GLN A 4 -10.772 10.540 -8.118 1.00 0.00 C ATOM 55 CD GLN A 4 -11.911 9.737 -7.490 1.00 0.00 C ATOM 56 OE1 GLN A 4 -11.908 8.522 -7.526 1.00 0.00 O ATOM 57 NE2 GLN A 4 -12.895 10.370 -6.912 1.00 0.00 N ATOM 0 H GLN A 4 -8.452 9.478 -9.524 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.601 12.065 -8.163 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.260 9.186 -7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.556 10.562 -6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.000 11.605 -8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.666 10.277 -9.170 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.898 11.390 -6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.661 9.845 -6.491 1.00 0.00 H new ATOM 66 N LEU A 5 -6.490 12.035 -6.839 1.00 0.00 N ATOM 67 CA LEU A 5 -5.244 12.018 -6.019 1.00 0.00 C ATOM 68 C LEU A 5 -5.604 12.023 -4.534 1.00 0.00 C ATOM 69 O LEU A 5 -6.354 12.858 -4.071 1.00 0.00 O ATOM 70 CB LEU A 5 -4.426 13.272 -6.340 1.00 0.00 C ATOM 71 CG LEU A 5 -4.146 13.342 -7.846 1.00 0.00 C ATOM 72 CD1 LEU A 5 -3.400 14.642 -8.156 1.00 0.00 C ATOM 73 CD2 LEU A 5 -3.293 12.138 -8.283 1.00 0.00 C ATOM 0 H LEU A 5 -6.835 12.964 -7.080 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.667 11.122 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.968 14.162 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.487 13.255 -5.787 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.090 13.319 -8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.197 14.699 -9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.012 15.493 -7.857 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.459 14.661 -7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.100 12.198 -9.354 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.346 12.148 -7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.827 11.214 -8.062 1.00 0.00 H new ATOM 85 N THR A 6 -5.067 11.090 -3.789 1.00 0.00 N ATOM 86 CA THR A 6 -5.355 11.015 -2.320 1.00 0.00 C ATOM 87 C THR A 6 -4.038 11.130 -1.555 1.00 0.00 C ATOM 88 O THR A 6 -3.037 10.555 -1.935 1.00 0.00 O ATOM 89 CB THR A 6 -6.030 9.684 -2.003 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.252 9.600 -2.725 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.316 9.597 -0.504 1.00 0.00 C ATOM 0 H THR A 6 -4.435 10.369 -4.137 1.00 0.00 H new ATOM 0 HA THR A 6 -6.020 11.827 -2.025 1.00 0.00 H new ATOM 0 HB THR A 6 -5.374 8.863 -2.291 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.892 9.054 -2.222 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.798 8.645 -0.280 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.380 9.669 0.050 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.974 10.415 -0.211 1.00 0.00 H new ATOM 99 N LYS A 7 -4.020 11.882 -0.488 1.00 0.00 N ATOM 100 CA LYS A 7 -2.763 12.055 0.292 1.00 0.00 C ATOM 101 C LYS A 7 -2.736 11.072 1.462 1.00 0.00 C ATOM 102 O LYS A 7 -3.757 10.641 1.957 1.00 0.00 O ATOM 103 CB LYS A 7 -2.717 13.481 0.843 1.00 0.00 C ATOM 104 CG LYS A 7 -2.849 14.498 -0.300 1.00 0.00 C ATOM 105 CD LYS A 7 -1.623 14.432 -1.218 1.00 0.00 C ATOM 106 CE LYS A 7 -1.577 15.683 -2.098 1.00 0.00 C ATOM 107 NZ LYS A 7 -0.366 15.628 -2.960 1.00 0.00 N ATOM 0 H LYS A 7 -4.827 12.387 -0.122 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.906 11.869 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.522 13.626 1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.780 13.642 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.753 14.294 -0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.951 15.503 0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.713 14.360 -0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.669 13.538 -1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.474 15.743 -2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.556 16.579 -1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.329 16.476 -3.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.484 15.590 -2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.405 14.780 -3.560 1.00 0.00 H new ATOM 121 N ILE A 8 -1.565 10.690 1.875 1.00 0.00 N ATOM 122 CA ILE A 8 -1.435 9.701 2.983 1.00 0.00 C ATOM 123 C ILE A 8 -2.189 10.227 4.207 1.00 0.00 C ATOM 124 O ILE A 8 -2.930 9.513 4.853 1.00 0.00 O ATOM 125 CB ILE A 8 0.046 9.563 3.350 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.880 9.306 2.088 1.00 0.00 C ATOM 127 CG2 ILE A 8 0.225 8.399 4.323 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.284 8.158 1.277 1.00 0.00 C ATOM 0 H ILE A 8 -0.681 11.022 1.490 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.841 8.738 2.672 1.00 0.00 H new ATOM 0 HB ILE A 8 0.383 10.488 3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.916 10.209 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.907 9.068 2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.279 8.301 4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.356 8.587 5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.120 7.477 3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.888 7.990 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.272 7.252 1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.734 8.411 0.982 1.00 0.00 H new ATOM 140 N VAL A 9 -2.018 11.478 4.508 1.00 0.00 N ATOM 141 CA VAL A 9 -2.733 12.076 5.667 1.00 0.00 C ATOM 142 C VAL A 9 -4.244 12.060 5.392 1.00 0.00 C ATOM 143 O VAL A 9 -5.051 12.186 6.292 1.00 0.00 O ATOM 144 CB VAL A 9 -2.262 13.518 5.870 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.623 14.354 4.639 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.945 14.107 7.107 1.00 0.00 C ATOM 0 H VAL A 9 -1.410 12.119 3.999 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.520 11.499 6.567 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.181 13.531 6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.287 15.381 4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.136 13.935 3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.703 14.343 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.610 15.134 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.026 14.094 6.967 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.686 13.513 7.983 1.00 0.00 H new ATOM 156 N ASP A 10 -4.630 11.908 4.149 1.00 0.00 N ATOM 157 CA ASP A 10 -6.086 11.883 3.803 1.00 0.00 C ATOM 158 C ASP A 10 -6.621 10.451 3.931 1.00 0.00 C ATOM 159 O ASP A 10 -7.787 10.193 3.705 1.00 0.00 O ATOM 160 CB ASP A 10 -6.273 12.369 2.360 1.00 0.00 C ATOM 161 CG ASP A 10 -7.763 12.553 2.060 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.546 12.530 2.995 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.096 12.716 0.896 1.00 0.00 O ATOM 0 H ASP A 10 -3.997 11.800 3.356 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.632 12.536 4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.745 13.311 2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.840 11.649 1.666 1.00 0.00 H new ATOM 168 N ILE A 11 -5.779 9.518 4.290 1.00 0.00 N ATOM 169 CA ILE A 11 -6.238 8.102 4.432 1.00 0.00 C ATOM 170 C ILE A 11 -6.805 7.879 5.837 1.00 0.00 C ATOM 171 O ILE A 11 -6.110 8.008 6.824 1.00 0.00 O ATOM 172 CB ILE A 11 -5.048 7.161 4.215 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.565 7.271 2.762 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.469 5.719 4.516 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.248 6.505 2.583 1.00 0.00 C ATOM 0 H ILE A 11 -4.791 9.674 4.492 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.013 7.899 3.693 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.236 7.443 4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.322 6.870 2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.424 8.319 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.621 5.052 4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.803 5.646 5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.283 5.431 3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.915 6.590 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.490 6.925 3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.402 5.454 2.829 1.00 0.00 H new ATOM 187 N VAL A 12 -8.063 7.534 5.934 1.00 0.00 N ATOM 188 CA VAL A 12 -8.681 7.289 7.272 1.00 0.00 C ATOM 189 C VAL A 12 -9.674 6.117 7.164 1.00 0.00 C ATOM 190 O VAL A 12 -10.265 5.706 8.143 1.00 0.00 O ATOM 191 CB VAL A 12 -9.399 8.573 7.727 1.00 0.00 C ATOM 192 CG1 VAL A 12 -10.098 9.219 6.533 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.439 8.252 8.804 1.00 0.00 C ATOM 0 H VAL A 12 -8.692 7.411 5.140 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.918 7.030 8.006 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.658 9.258 8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.606 10.128 6.857 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.360 9.468 5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.828 8.523 6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.937 9.171 9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.177 7.557 8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.945 7.799 9.664 1.00 0.00 H new ATOM 203 N GLU A 13 -9.856 5.572 5.984 1.00 0.00 N ATOM 204 CA GLU A 13 -10.806 4.424 5.810 1.00 0.00 C ATOM 205 C GLU A 13 -10.150 3.344 4.944 1.00 0.00 C ATOM 206 O GLU A 13 -9.457 3.632 3.988 1.00 0.00 O ATOM 207 CB GLU A 13 -12.083 4.926 5.129 1.00 0.00 C ATOM 208 CG GLU A 13 -13.087 3.778 5.016 1.00 0.00 C ATOM 209 CD GLU A 13 -14.397 4.300 4.418 1.00 0.00 C ATOM 210 OE1 GLU A 13 -14.569 5.507 4.381 1.00 0.00 O ATOM 211 OE2 GLU A 13 -15.205 3.483 4.010 1.00 0.00 O ATOM 0 H GLU A 13 -9.386 5.873 5.130 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.054 4.001 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.515 5.746 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.850 5.318 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.679 2.985 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.271 3.344 5.999 1.00 0.00 H new ATOM 218 N ASN A 14 -10.356 2.097 5.280 1.00 0.00 N ATOM 219 CA ASN A 14 -9.738 0.989 4.489 1.00 0.00 C ATOM 220 C ASN A 14 -10.701 0.516 3.397 1.00 0.00 C ATOM 221 O ASN A 14 -11.884 0.784 3.436 1.00 0.00 O ATOM 222 CB ASN A 14 -9.417 -0.179 5.421 1.00 0.00 C ATOM 223 CG ASN A 14 -10.716 -0.767 5.976 1.00 0.00 C ATOM 224 OD1 ASN A 14 -11.738 -0.110 5.992 1.00 0.00 O ATOM 225 ND2 ASN A 14 -10.718 -1.989 6.430 1.00 0.00 N ATOM 0 H ASN A 14 -10.927 1.797 6.070 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.823 1.354 4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.861 -0.945 4.881 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.781 0.160 6.239 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.578 -2.395 6.799 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.860 -2.540 6.416 1.00 0.00 H new ATOM 232 N GLY A 15 -10.198 -0.191 2.421 1.00 0.00 N ATOM 233 CA GLY A 15 -11.084 -0.684 1.330 1.00 0.00 C ATOM 234 C GLY A 15 -11.497 0.491 0.444 1.00 0.00 C ATOM 235 O GLY A 15 -12.472 0.427 -0.277 1.00 0.00 O ATOM 0 H GLY A 15 -9.215 -0.447 2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.565 -1.437 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.967 -1.164 1.752 1.00 0.00 H new ATOM 239 N GLN A 16 -10.764 1.571 0.497 1.00 0.00 N ATOM 240 CA GLN A 16 -11.115 2.760 -0.336 1.00 0.00 C ATOM 241 C GLN A 16 -10.328 2.721 -1.647 1.00 0.00 C ATOM 242 O GLN A 16 -9.165 2.361 -1.679 1.00 0.00 O ATOM 243 CB GLN A 16 -10.774 4.037 0.438 1.00 0.00 C ATOM 244 CG GLN A 16 -11.224 5.255 -0.369 1.00 0.00 C ATOM 245 CD GLN A 16 -11.127 6.517 0.496 1.00 0.00 C ATOM 246 OE1 GLN A 16 -11.402 7.605 0.031 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.746 6.421 1.744 1.00 0.00 N ATOM 0 H GLN A 16 -9.936 1.682 1.082 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.181 2.747 -0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.267 4.029 1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.701 4.087 0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.602 5.364 -1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.249 5.116 -0.712 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.514 5.509 2.138 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.681 7.258 2.323 1.00 0.00 H new ATOM 256 N TRP A 17 -10.962 3.089 -2.730 1.00 0.00 N ATOM 257 CA TRP A 17 -10.275 3.083 -4.057 1.00 0.00 C ATOM 258 C TRP A 17 -9.755 4.488 -4.367 1.00 0.00 C ATOM 259 O TRP A 17 -10.486 5.457 -4.318 1.00 0.00 O ATOM 260 CB TRP A 17 -11.274 2.658 -5.135 1.00 0.00 C ATOM 261 CG TRP A 17 -11.592 1.209 -4.965 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.681 0.720 -4.328 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.835 0.054 -5.427 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.638 -0.663 -4.366 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.519 -1.120 -5.034 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.632 -0.086 -6.141 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -11.027 -2.390 -5.339 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.133 -1.362 -6.449 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.829 -2.511 -6.049 1.00 0.00 C ATOM 0 H TRP A 17 -11.934 3.396 -2.752 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.438 2.385 -4.036 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.184 3.254 -5.060 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.857 2.837 -6.126 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.457 1.312 -3.866 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.346 -1.270 -3.952 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.088 0.793 -6.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.568 -3.272 -5.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.208 -1.459 -6.997 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.440 -3.489 -6.289 1.00 0.00 H new ATOM 280 N ALA A 18 -8.500 4.601 -4.704 1.00 0.00 N ATOM 281 CA ALA A 18 -7.937 5.940 -5.041 1.00 0.00 C ATOM 282 C ALA A 18 -6.636 5.770 -5.838 1.00 0.00 C ATOM 283 O ALA A 18 -6.245 4.670 -6.180 1.00 0.00 O ATOM 284 CB ALA A 18 -7.661 6.723 -3.753 1.00 0.00 C ATOM 0 H ALA A 18 -7.840 3.825 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.656 6.491 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.250 7.701 -4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.591 6.851 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.946 6.174 -3.140 1.00 0.00 H new ATOM 290 N ASN A 19 -5.962 6.860 -6.118 1.00 0.00 N ATOM 291 CA ASN A 19 -4.665 6.801 -6.870 1.00 0.00 C ATOM 292 C ASN A 19 -3.576 7.415 -5.987 1.00 0.00 C ATOM 293 O ASN A 19 -3.803 8.410 -5.320 1.00 0.00 O ATOM 294 CB ASN A 19 -4.792 7.595 -8.169 1.00 0.00 C ATOM 295 CG ASN A 19 -6.029 7.111 -8.921 1.00 0.00 C ATOM 296 OD1 ASN A 19 -6.295 5.927 -8.982 1.00 0.00 O ATOM 297 ND2 ASN A 19 -6.807 7.983 -9.492 1.00 0.00 N ATOM 0 H ASN A 19 -6.258 7.800 -5.855 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.411 5.770 -7.115 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.874 8.660 -7.954 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.901 7.461 -8.782 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.641 7.673 -9.991 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.583 8.977 -9.441 1.00 0.00 H new ATOM 304 N LEU A 20 -2.397 6.837 -5.963 1.00 0.00 N ATOM 305 CA LEU A 20 -1.294 7.383 -5.107 1.00 0.00 C ATOM 306 C LEU A 20 -0.135 7.843 -5.991 1.00 0.00 C ATOM 307 O LEU A 20 0.150 7.273 -7.026 1.00 0.00 O ATOM 308 CB LEU A 20 -0.801 6.278 -4.154 1.00 0.00 C ATOM 309 CG LEU A 20 -1.642 6.251 -2.864 1.00 0.00 C ATOM 310 CD1 LEU A 20 -1.388 7.517 -2.021 1.00 0.00 C ATOM 311 CD2 LEU A 20 -3.134 6.139 -3.213 1.00 0.00 C ATOM 0 H LEU A 20 -2.151 6.007 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.666 8.230 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.860 5.310 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.247 6.446 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.346 5.382 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.992 7.478 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.333 7.570 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.659 8.400 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.722 6.120 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.432 6.996 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.308 5.221 -3.774 1.00 0.00 H new ATOM 323 N LYS A 21 0.543 8.875 -5.571 1.00 0.00 N ATOM 324 CA LYS A 21 1.698 9.401 -6.349 1.00 0.00 C ATOM 325 C LYS A 21 2.818 9.758 -5.374 1.00 0.00 C ATOM 326 O LYS A 21 2.627 10.514 -4.442 1.00 0.00 O ATOM 327 CB LYS A 21 1.255 10.647 -7.115 1.00 0.00 C ATOM 328 CG LYS A 21 2.397 11.131 -8.011 1.00 0.00 C ATOM 329 CD LYS A 21 1.986 12.414 -8.745 1.00 0.00 C ATOM 330 CE LYS A 21 1.039 12.095 -9.908 1.00 0.00 C ATOM 331 NZ LYS A 21 0.848 13.324 -10.731 1.00 0.00 N ATOM 0 H LYS A 21 0.342 9.383 -4.709 1.00 0.00 H new ATOM 0 HA LYS A 21 2.055 8.654 -7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.376 10.422 -7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.969 11.433 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.287 11.316 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.656 10.357 -8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.498 13.096 -8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.873 12.923 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.451 11.293 -10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.080 11.744 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.206 13.116 -11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.438 14.076 -10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.767 13.638 -11.104 1.00 0.00 H new ATOM 345 N ALA A 22 3.978 9.217 -5.589 1.00 0.00 N ATOM 346 CA ALA A 22 5.107 9.529 -4.675 1.00 0.00 C ATOM 347 C ALA A 22 6.417 8.921 -5.186 1.00 0.00 C ATOM 348 O ALA A 22 6.489 8.362 -6.262 1.00 0.00 O ATOM 349 CB ALA A 22 4.787 8.991 -3.277 1.00 0.00 C ATOM 0 H ALA A 22 4.195 8.576 -6.352 1.00 0.00 H new ATOM 0 HA ALA A 22 5.235 10.611 -4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.613 9.217 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.876 9.461 -2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.644 7.911 -3.326 1.00 0.00 H new ATOM 355 N LYS A 23 7.448 9.060 -4.395 1.00 0.00 N ATOM 356 CA LYS A 23 8.797 8.529 -4.777 1.00 0.00 C ATOM 357 C LYS A 23 9.159 7.345 -3.886 1.00 0.00 C ATOM 358 O LYS A 23 8.716 7.243 -2.764 1.00 0.00 O ATOM 359 CB LYS A 23 9.847 9.636 -4.625 1.00 0.00 C ATOM 360 CG LYS A 23 11.069 9.297 -5.486 1.00 0.00 C ATOM 361 CD LYS A 23 12.223 10.245 -5.157 1.00 0.00 C ATOM 362 CE LYS A 23 11.877 11.662 -5.614 1.00 0.00 C ATOM 363 NZ LYS A 23 13.109 12.496 -5.604 1.00 0.00 N ATOM 0 H LYS A 23 7.416 9.525 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 23 8.772 8.197 -5.815 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.428 10.595 -4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.140 9.734 -3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.374 8.266 -5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.813 9.377 -6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.418 10.237 -4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.135 9.907 -5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.448 11.639 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.125 12.096 -4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.863 13.476 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.777 12.120 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.550 12.476 -6.546 1.00 0.00 H new ATOM 377 N VAL A 24 9.956 6.438 -4.387 1.00 0.00 N ATOM 378 CA VAL A 24 10.336 5.245 -3.565 1.00 0.00 C ATOM 379 C VAL A 24 11.611 5.519 -2.765 1.00 0.00 C ATOM 380 O VAL A 24 12.690 5.640 -3.309 1.00 0.00 O ATOM 381 CB VAL A 24 10.557 4.049 -4.491 1.00 0.00 C ATOM 382 CG1 VAL A 24 11.009 2.839 -3.669 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.243 3.717 -5.205 1.00 0.00 C ATOM 0 H VAL A 24 10.359 6.468 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 24 9.531 5.030 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 24 11.325 4.293 -5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.166 1.987 -4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.941 3.076 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.243 2.591 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.394 2.865 -5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.479 3.472 -4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.919 4.578 -5.790 1.00 0.00 H new ATOM 393 N ILE A 25 11.489 5.618 -1.467 1.00 0.00 N ATOM 394 CA ILE A 25 12.688 5.881 -0.618 1.00 0.00 C ATOM 395 C ILE A 25 13.344 4.563 -0.204 1.00 0.00 C ATOM 396 O ILE A 25 14.523 4.515 0.088 1.00 0.00 O ATOM 397 CB ILE A 25 12.267 6.640 0.635 1.00 0.00 C ATOM 398 CG1 ILE A 25 11.098 5.912 1.303 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.844 8.059 0.250 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.833 6.537 2.671 1.00 0.00 C ATOM 0 H ILE A 25 10.610 5.528 -0.958 1.00 0.00 H new ATOM 0 HA ILE A 25 13.401 6.473 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 25 13.103 6.690 1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.207 5.981 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.329 4.852 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.542 8.604 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.681 8.573 -0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.007 8.013 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.001 6.022 3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.724 6.445 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.585 7.591 2.547 1.00 0.00 H new ATOM 412 N GLN A 26 12.598 3.490 -0.181 1.00 0.00 N ATOM 413 CA GLN A 26 13.191 2.174 0.211 1.00 0.00 C ATOM 414 C GLN A 26 12.349 1.040 -0.378 1.00 0.00 C ATOM 415 O GLN A 26 11.149 1.156 -0.523 1.00 0.00 O ATOM 416 CB GLN A 26 13.216 2.036 1.740 1.00 0.00 C ATOM 417 CG GLN A 26 14.224 3.020 2.339 1.00 0.00 C ATOM 418 CD GLN A 26 14.446 2.686 3.813 1.00 0.00 C ATOM 419 OE1 GLN A 26 14.644 1.541 4.167 1.00 0.00 O ATOM 420 NE2 GLN A 26 14.422 3.647 4.692 1.00 0.00 N ATOM 0 H GLN A 26 11.606 3.466 -0.416 1.00 0.00 H new ATOM 0 HA GLN A 26 14.210 2.120 -0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.223 2.227 2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.483 1.016 2.017 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.168 2.966 1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.856 4.041 2.238 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.256 4.608 4.393 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.570 3.439 5.680 1.00 0.00 H new ATOM 429 N LEU A 27 12.973 -0.060 -0.725 1.00 0.00 N ATOM 430 CA LEU A 27 12.219 -1.211 -1.313 1.00 0.00 C ATOM 431 C LEU A 27 12.743 -2.517 -0.718 1.00 0.00 C ATOM 432 O LEU A 27 13.834 -2.576 -0.187 1.00 0.00 O ATOM 433 CB LEU A 27 12.418 -1.246 -2.835 1.00 0.00 C ATOM 434 CG LEU A 27 13.918 -1.071 -3.179 1.00 0.00 C ATOM 435 CD1 LEU A 27 14.270 -1.875 -4.438 1.00 0.00 C ATOM 436 CD2 LEU A 27 14.233 0.406 -3.440 1.00 0.00 C ATOM 0 H LEU A 27 13.977 -0.210 -0.626 1.00 0.00 H new ATOM 0 HA LEU A 27 11.159 -1.093 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.053 -2.192 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.834 -0.454 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 27 14.505 -1.430 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.327 -1.744 -4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.065 -2.931 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.668 -1.521 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 27 15.290 0.515 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.632 0.764 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.001 0.990 -2.550 1.00 0.00 H new ATOM 448 N TRP A 28 11.974 -3.572 -0.805 1.00 0.00 N ATOM 449 CA TRP A 28 12.426 -4.883 -0.254 1.00 0.00 C ATOM 450 C TRP A 28 11.986 -6.010 -1.196 1.00 0.00 C ATOM 451 O TRP A 28 10.819 -6.322 -1.306 1.00 0.00 O ATOM 452 CB TRP A 28 11.807 -5.092 1.126 1.00 0.00 C ATOM 453 CG TRP A 28 12.471 -6.251 1.793 1.00 0.00 C ATOM 454 CD1 TRP A 28 13.687 -6.213 2.383 1.00 0.00 C ATOM 455 CD2 TRP A 28 11.982 -7.612 1.949 1.00 0.00 C ATOM 456 NE1 TRP A 28 13.976 -7.466 2.891 1.00 0.00 N ATOM 457 CE2 TRP A 28 12.955 -8.362 2.649 1.00 0.00 C ATOM 458 CE3 TRP A 28 10.799 -8.260 1.554 1.00 0.00 C ATOM 459 CZ2 TRP A 28 12.762 -9.711 2.946 1.00 0.00 C ATOM 460 CZ3 TRP A 28 10.601 -9.617 1.852 1.00 0.00 C ATOM 461 CH2 TRP A 28 11.580 -10.342 2.547 1.00 0.00 C ATOM 0 H TRP A 28 11.049 -3.581 -1.236 1.00 0.00 H new ATOM 0 HA TRP A 28 13.512 -4.890 -0.167 1.00 0.00 H new ATOM 0 HB2 TRP A 28 11.925 -4.193 1.731 1.00 0.00 H new ATOM 0 HB3 TRP A 28 10.736 -5.275 1.033 1.00 0.00 H new ATOM 0 HD1 TRP A 28 14.328 -5.346 2.447 1.00 0.00 H new ATOM 0 HE1 TRP A 28 14.838 -7.699 3.384 1.00 0.00 H new ATOM 0 HE3 TRP A 28 10.039 -7.711 1.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 13.520 -10.264 3.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 9.689 -10.106 1.544 1.00 0.00 H new ATOM 0 HH2 TRP A 28 11.421 -11.386 2.774 1.00 0.00 H new ATOM 472 N GLU A 29 12.919 -6.610 -1.878 1.00 0.00 N ATOM 473 CA GLU A 29 12.563 -7.707 -2.823 1.00 0.00 C ATOM 474 C GLU A 29 12.059 -8.922 -2.035 1.00 0.00 C ATOM 475 O GLU A 29 12.687 -9.375 -1.100 1.00 0.00 O ATOM 476 CB GLU A 29 13.801 -8.091 -3.640 1.00 0.00 C ATOM 477 CG GLU A 29 14.963 -8.417 -2.698 1.00 0.00 C ATOM 478 CD GLU A 29 16.248 -8.582 -3.511 1.00 0.00 C ATOM 479 OE1 GLU A 29 16.423 -7.838 -4.463 1.00 0.00 O ATOM 480 OE2 GLU A 29 17.036 -9.446 -3.168 1.00 0.00 O ATOM 0 H GLU A 29 13.913 -6.390 -1.823 1.00 0.00 H new ATOM 0 HA GLU A 29 11.775 -7.370 -3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.579 -8.952 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.078 -7.272 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.084 -7.621 -1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.751 -9.331 -2.144 1.00 0.00 H new ATOM 487 N ASN A 30 10.915 -9.448 -2.407 1.00 0.00 N ATOM 488 CA ASN A 30 10.346 -10.635 -1.691 1.00 0.00 C ATOM 489 C ASN A 30 10.533 -11.881 -2.558 1.00 0.00 C ATOM 490 O ASN A 30 10.620 -11.798 -3.766 1.00 0.00 O ATOM 491 CB ASN A 30 8.851 -10.417 -1.449 1.00 0.00 C ATOM 492 CG ASN A 30 8.274 -11.634 -0.722 1.00 0.00 C ATOM 493 OD1 ASN A 30 8.471 -11.799 0.464 1.00 0.00 O ATOM 494 ND2 ASN A 30 7.572 -12.505 -1.394 1.00 0.00 N ATOM 0 H ASN A 30 10.348 -9.103 -3.181 1.00 0.00 H new ATOM 0 HA ASN A 30 10.857 -10.764 -0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.694 -9.516 -0.855 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.335 -10.267 -2.398 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.189 -13.324 -0.922 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.406 -12.366 -2.391 1.00 0.00 H new ATOM 501 N THR A 31 10.596 -13.039 -1.955 1.00 0.00 N ATOM 502 CA THR A 31 10.776 -14.292 -2.750 1.00 0.00 C ATOM 503 C THR A 31 9.995 -15.426 -2.087 1.00 0.00 C ATOM 504 O THR A 31 10.550 -16.439 -1.711 1.00 0.00 O ATOM 505 CB THR A 31 12.262 -14.649 -2.803 1.00 0.00 C ATOM 506 OG1 THR A 31 12.799 -14.629 -1.488 1.00 0.00 O ATOM 507 CG2 THR A 31 13.001 -13.629 -3.673 1.00 0.00 C ATOM 0 H THR A 31 10.531 -13.172 -0.946 1.00 0.00 H new ATOM 0 HA THR A 31 10.405 -14.143 -3.764 1.00 0.00 H new ATOM 0 HB THR A 31 12.383 -15.645 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.751 -14.859 -1.520 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.060 -13.883 -3.711 1.00 0.00 H new ATOM 0 HG22 THR A 31 12.588 -13.644 -4.682 1.00 0.00 H new ATOM 0 HG23 THR A 31 12.882 -12.633 -3.247 1.00 0.00 H new ATOM 515 N HIS A 32 8.705 -15.254 -1.942 1.00 0.00 N ATOM 516 CA HIS A 32 7.851 -16.306 -1.304 1.00 0.00 C ATOM 517 C HIS A 32 6.719 -16.677 -2.270 1.00 0.00 C ATOM 518 O HIS A 32 5.726 -17.260 -1.887 1.00 0.00 O ATOM 519 CB HIS A 32 7.269 -15.753 0.001 1.00 0.00 C ATOM 520 CG HIS A 32 6.587 -16.857 0.763 1.00 0.00 C ATOM 521 ND1 HIS A 32 7.272 -17.971 1.223 1.00 0.00 N ATOM 522 CD2 HIS A 32 5.284 -17.027 1.163 1.00 0.00 C ATOM 523 CE1 HIS A 32 6.387 -18.754 1.868 1.00 0.00 C ATOM 524 NE2 HIS A 32 5.160 -18.226 1.860 1.00 0.00 N ATOM 0 H HIS A 32 8.200 -14.420 -2.242 1.00 0.00 H new ATOM 0 HA HIS A 32 8.443 -17.194 -1.083 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.062 -15.316 0.608 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.558 -14.956 -0.216 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.478 -16.336 0.967 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.638 -19.695 2.335 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.314 -18.617 2.275 1.00 0.00 H new ATOM 532 N GLU A 33 6.879 -16.339 -3.524 1.00 0.00 N ATOM 533 CA GLU A 33 5.841 -16.661 -4.551 1.00 0.00 C ATOM 534 C GLU A 33 4.478 -16.093 -4.139 1.00 0.00 C ATOM 535 O GLU A 33 3.491 -16.284 -4.822 1.00 0.00 O ATOM 536 CB GLU A 33 5.732 -18.179 -4.715 1.00 0.00 C ATOM 537 CG GLU A 33 7.035 -18.726 -5.302 1.00 0.00 C ATOM 538 CD GLU A 33 7.191 -18.233 -6.742 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.185 -17.887 -7.339 1.00 0.00 O ATOM 540 OE2 GLU A 33 8.311 -18.218 -7.225 1.00 0.00 O ATOM 0 H GLU A 33 7.696 -15.847 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 33 6.138 -16.208 -5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.531 -18.646 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.895 -18.425 -5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.883 -18.399 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.028 -19.816 -5.278 1.00 0.00 H new ATOM 547 N SER A 34 4.417 -15.389 -3.038 1.00 0.00 N ATOM 548 CA SER A 34 3.117 -14.793 -2.580 1.00 0.00 C ATOM 549 C SER A 34 3.180 -13.273 -2.728 1.00 0.00 C ATOM 550 O SER A 34 2.287 -12.653 -3.273 1.00 0.00 O ATOM 551 CB SER A 34 2.892 -15.140 -1.109 1.00 0.00 C ATOM 552 OG SER A 34 1.643 -14.608 -0.688 1.00 0.00 O ATOM 0 H SER A 34 5.214 -15.198 -2.431 1.00 0.00 H new ATOM 0 HA SER A 34 2.301 -15.191 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.905 -16.221 -0.972 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.698 -14.732 -0.499 1.00 0.00 H new ATOM 0 HG SER A 34 1.494 -14.830 0.255 1.00 0.00 H new ATOM 558 N ILE A 35 4.236 -12.672 -2.240 1.00 0.00 N ATOM 559 CA ILE A 35 4.390 -11.184 -2.329 1.00 0.00 C ATOM 560 C ILE A 35 5.472 -10.843 -3.352 1.00 0.00 C ATOM 561 O ILE A 35 6.485 -11.509 -3.449 1.00 0.00 O ATOM 562 CB ILE A 35 4.788 -10.626 -0.964 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.679 -10.929 0.046 1.00 0.00 C ATOM 564 CG2 ILE A 35 4.976 -9.110 -1.073 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.170 -10.610 1.458 1.00 0.00 C ATOM 0 H ILE A 35 5.008 -13.153 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 35 3.443 -10.742 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 35 5.719 -11.087 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.793 -10.338 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.389 -11.978 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.260 -8.708 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.759 -8.892 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.043 -8.650 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.379 -10.826 2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.044 -11.220 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.438 -9.555 1.520 1.00 0.00 H new ATOM 577 N SER A 36 5.261 -9.814 -4.126 1.00 0.00 N ATOM 578 CA SER A 36 6.268 -9.427 -5.157 1.00 0.00 C ATOM 579 C SER A 36 7.339 -8.535 -4.518 1.00 0.00 C ATOM 580 O SER A 36 8.518 -8.838 -4.548 1.00 0.00 O ATOM 581 CB SER A 36 5.545 -8.661 -6.284 1.00 0.00 C ATOM 582 OG SER A 36 4.153 -8.910 -6.185 1.00 0.00 O ATOM 0 H SER A 36 4.431 -9.222 -4.089 1.00 0.00 H new ATOM 0 HA SER A 36 6.750 -10.315 -5.566 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.744 -7.592 -6.202 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.917 -8.981 -7.257 1.00 0.00 H new ATOM 0 HG SER A 36 3.690 -8.479 -6.933 1.00 0.00 H new ATOM 588 N GLN A 37 6.938 -7.428 -3.953 1.00 0.00 N ATOM 589 CA GLN A 37 7.927 -6.510 -3.326 1.00 0.00 C ATOM 590 C GLN A 37 7.262 -5.724 -2.193 1.00 0.00 C ATOM 591 O GLN A 37 6.074 -5.468 -2.214 1.00 0.00 O ATOM 592 CB GLN A 37 8.432 -5.536 -4.388 1.00 0.00 C ATOM 593 CG GLN A 37 9.533 -4.657 -3.798 1.00 0.00 C ATOM 594 CD GLN A 37 10.167 -3.826 -4.913 1.00 0.00 C ATOM 595 OE1 GLN A 37 10.929 -4.337 -5.709 1.00 0.00 O ATOM 596 NE2 GLN A 37 9.878 -2.558 -5.010 1.00 0.00 N ATOM 0 H GLN A 37 5.967 -7.121 -3.899 1.00 0.00 H new ATOM 0 HA GLN A 37 8.757 -7.087 -2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.814 -6.086 -5.248 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.611 -4.915 -4.746 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.120 -4.002 -3.031 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.289 -5.276 -3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.238 -2.128 -4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.292 -1.996 -5.754 1.00 0.00 H new ATOM 605 N VAL A 38 8.033 -5.328 -1.214 1.00 0.00 N ATOM 606 CA VAL A 38 7.482 -4.536 -0.067 1.00 0.00 C ATOM 607 C VAL A 38 8.362 -3.308 0.135 1.00 0.00 C ATOM 608 O VAL A 38 9.570 -3.405 0.147 1.00 0.00 O ATOM 609 CB VAL A 38 7.498 -5.392 1.198 1.00 0.00 C ATOM 610 CG1 VAL A 38 7.143 -4.530 2.413 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.475 -6.518 1.052 1.00 0.00 C ATOM 0 H VAL A 38 9.033 -5.521 -1.157 1.00 0.00 H new ATOM 0 HA VAL A 38 6.456 -4.232 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 38 8.493 -5.814 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.156 -5.146 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.871 -3.725 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.149 -4.104 2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.481 -7.134 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.482 -6.091 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.732 -7.133 0.190 1.00 0.00 H new ATOM 621 N GLY A 39 7.783 -2.150 0.282 1.00 0.00 N ATOM 622 CA GLY A 39 8.629 -0.939 0.465 1.00 0.00 C ATOM 623 C GLY A 39 7.813 0.196 1.066 1.00 0.00 C ATOM 624 O GLY A 39 6.804 -0.015 1.709 1.00 0.00 O ATOM 0 H GLY A 39 6.776 -1.990 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.472 -1.172 1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.043 -0.629 -0.495 1.00 0.00 H new ATOM 628 N LEU A 40 8.256 1.407 0.855 1.00 0.00 N ATOM 629 CA LEU A 40 7.530 2.588 1.403 1.00 0.00 C ATOM 630 C LEU A 40 7.460 3.676 0.341 1.00 0.00 C ATOM 631 O LEU A 40 8.294 3.756 -0.538 1.00 0.00 O ATOM 632 CB LEU A 40 8.262 3.122 2.645 1.00 0.00 C ATOM 633 CG LEU A 40 8.364 2.014 3.727 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.702 1.271 3.604 1.00 0.00 C ATOM 635 CD2 LEU A 40 8.276 2.635 5.127 1.00 0.00 C ATOM 0 H LEU A 40 9.097 1.629 0.322 1.00 0.00 H new ATOM 0 HA LEU A 40 6.520 2.291 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.260 3.463 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.730 3.984 3.047 1.00 0.00 H new ATOM 0 HG LEU A 40 7.541 1.316 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.760 0.497 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.774 0.813 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.523 1.975 3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.349 1.849 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.093 3.344 5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.324 3.154 5.236 1.00 0.00 H new ATOM 647 N LEU A 41 6.462 4.515 0.419 1.00 0.00 N ATOM 648 CA LEU A 41 6.310 5.614 -0.577 1.00 0.00 C ATOM 649 C LEU A 41 6.613 6.941 0.117 1.00 0.00 C ATOM 650 O LEU A 41 6.081 7.241 1.173 1.00 0.00 O ATOM 651 CB LEU A 41 4.873 5.622 -1.096 1.00 0.00 C ATOM 652 CG LEU A 41 4.500 4.227 -1.606 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.055 4.241 -2.118 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.451 3.809 -2.737 1.00 0.00 C ATOM 0 H LEU A 41 5.739 4.485 1.138 1.00 0.00 H new ATOM 0 HA LEU A 41 6.994 5.468 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.191 5.923 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.770 6.353 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 41 4.588 3.510 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.788 3.249 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.384 4.523 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.964 4.962 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.178 2.816 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.376 4.522 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.475 3.792 -2.364 1.00 0.00 H new ATOM 666 N GLY A 42 7.482 7.724 -0.467 1.00 0.00 N ATOM 667 CA GLY A 42 7.858 9.037 0.133 1.00 0.00 C ATOM 668 C GLY A 42 6.957 10.137 -0.418 1.00 0.00 C ATOM 669 O GLY A 42 7.186 10.659 -1.492 1.00 0.00 O ATOM 0 H GLY A 42 7.953 7.506 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.767 8.990 1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.901 9.263 -0.090 1.00 0.00 H new ATOM 673 N ASP A 43 5.933 10.499 0.312 1.00 0.00 N ATOM 674 CA ASP A 43 5.007 11.576 -0.156 1.00 0.00 C ATOM 675 C ASP A 43 5.340 12.882 0.566 1.00 0.00 C ATOM 676 O ASP A 43 5.959 12.890 1.610 1.00 0.00 O ATOM 677 CB ASP A 43 3.566 11.178 0.154 1.00 0.00 C ATOM 678 CG ASP A 43 2.611 12.226 -0.423 1.00 0.00 C ATOM 679 OD1 ASP A 43 3.063 13.043 -1.209 1.00 0.00 O ATOM 680 OD2 ASP A 43 1.444 12.193 -0.070 1.00 0.00 O ATOM 0 H ASP A 43 5.697 10.093 1.217 1.00 0.00 H new ATOM 0 HA ASP A 43 5.123 11.714 -1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.348 10.199 -0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.424 11.095 1.232 1.00 0.00 H new ATOM 685 N GLU A 44 4.928 13.985 0.013 1.00 0.00 N ATOM 686 CA GLU A 44 5.210 15.302 0.651 1.00 0.00 C ATOM 687 C GLU A 44 4.406 15.439 1.944 1.00 0.00 C ATOM 688 O GLU A 44 4.670 16.301 2.760 1.00 0.00 O ATOM 689 CB GLU A 44 4.806 16.416 -0.310 1.00 0.00 C ATOM 690 CG GLU A 44 5.733 16.394 -1.523 1.00 0.00 C ATOM 691 CD GLU A 44 5.272 17.443 -2.533 1.00 0.00 C ATOM 692 OE1 GLU A 44 4.300 18.123 -2.247 1.00 0.00 O ATOM 693 OE2 GLU A 44 5.898 17.549 -3.574 1.00 0.00 O ATOM 0 H GLU A 44 4.404 14.033 -0.861 1.00 0.00 H new ATOM 0 HA GLU A 44 6.273 15.371 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.771 16.283 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.865 17.383 0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.759 16.596 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.727 15.405 -1.981 1.00 0.00 H new ATOM 700 N THR A 45 3.425 14.600 2.141 1.00 0.00 N ATOM 701 CA THR A 45 2.596 14.687 3.383 1.00 0.00 C ATOM 702 C THR A 45 3.098 13.669 4.406 1.00 0.00 C ATOM 703 O THR A 45 2.661 13.653 5.541 1.00 0.00 O ATOM 704 CB THR A 45 1.136 14.382 3.035 1.00 0.00 C ATOM 705 OG1 THR A 45 1.045 13.069 2.501 1.00 0.00 O ATOM 706 CG2 THR A 45 0.630 15.394 2.003 1.00 0.00 C ATOM 0 H THR A 45 3.160 13.856 1.496 1.00 0.00 H new ATOM 0 HA THR A 45 2.673 15.689 3.804 1.00 0.00 H new ATOM 0 HB THR A 45 0.525 14.452 3.935 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.215 13.096 1.536 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.409 15.175 1.757 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.701 16.400 2.415 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.238 15.328 1.101 1.00 0.00 H new ATOM 714 N GLY A 46 4.017 12.826 4.021 1.00 0.00 N ATOM 715 CA GLY A 46 4.546 11.818 4.985 1.00 0.00 C ATOM 716 C GLY A 46 5.016 10.571 4.238 1.00 0.00 C ATOM 717 O GLY A 46 5.489 10.641 3.121 1.00 0.00 O ATOM 0 H GLY A 46 4.423 12.791 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.373 12.245 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.772 11.550 5.704 1.00 0.00 H new ATOM 721 N ILE A 47 4.891 9.426 4.861 1.00 0.00 N ATOM 722 CA ILE A 47 5.326 8.145 4.219 1.00 0.00 C ATOM 723 C ILE A 47 4.267 7.065 4.442 1.00 0.00 C ATOM 724 O ILE A 47 3.387 7.201 5.267 1.00 0.00 O ATOM 725 CB ILE A 47 6.665 7.682 4.827 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.672 7.884 6.360 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.821 8.482 4.207 1.00 0.00 C ATOM 728 CD1 ILE A 47 5.671 6.945 7.052 1.00 0.00 C ATOM 0 H ILE A 47 4.502 9.322 5.798 1.00 0.00 H new ATOM 0 HA ILE A 47 5.453 8.312 3.149 1.00 0.00 H new ATOM 0 HB ILE A 47 6.789 6.621 4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.674 7.701 6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.424 8.919 6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.765 8.152 4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.839 8.320 3.129 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.680 9.543 4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.700 7.112 8.129 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.666 7.147 6.681 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.936 5.910 6.838 1.00 0.00 H new ATOM 740 N ILE A 48 4.346 5.986 3.710 1.00 0.00 N ATOM 741 CA ILE A 48 3.348 4.889 3.890 1.00 0.00 C ATOM 742 C ILE A 48 3.928 3.568 3.380 1.00 0.00 C ATOM 743 O ILE A 48 4.659 3.531 2.411 1.00 0.00 O ATOM 744 CB ILE A 48 2.064 5.223 3.133 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.090 4.050 3.250 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.379 5.494 1.661 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.299 4.497 2.796 1.00 0.00 C ATOM 0 H ILE A 48 5.055 5.816 2.997 1.00 0.00 H new ATOM 0 HA ILE A 48 3.117 4.789 4.951 1.00 0.00 H new ATOM 0 HB ILE A 48 1.612 6.116 3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.433 3.215 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.052 3.696 4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.457 5.731 1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.068 6.335 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.836 4.609 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.995 3.662 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.641 5.318 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.253 4.830 1.759 1.00 0.00 H new ATOM 759 N LYS A 49 3.606 2.479 4.030 1.00 0.00 N ATOM 760 CA LYS A 49 4.131 1.152 3.591 1.00 0.00 C ATOM 761 C LYS A 49 3.132 0.490 2.640 1.00 0.00 C ATOM 762 O LYS A 49 1.947 0.415 2.924 1.00 0.00 O ATOM 763 CB LYS A 49 4.330 0.260 4.817 1.00 0.00 C ATOM 764 CG LYS A 49 4.910 -1.088 4.387 1.00 0.00 C ATOM 765 CD LYS A 49 5.149 -1.957 5.621 1.00 0.00 C ATOM 766 CE LYS A 49 5.742 -3.296 5.189 1.00 0.00 C ATOM 767 NZ LYS A 49 6.006 -4.131 6.393 1.00 0.00 N ATOM 0 H LYS A 49 2.999 2.452 4.850 1.00 0.00 H new ATOM 0 HA LYS A 49 5.081 1.290 3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.000 0.745 5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.379 0.111 5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.225 -1.589 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.845 -0.938 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.826 -1.452 6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.212 -2.117 6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.054 -3.812 4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.667 -3.135 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.410 -5.044 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.677 -3.639 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.115 -4.295 6.904 1.00 0.00 H new ATOM 781 N PHE A 50 3.583 0.017 1.498 1.00 0.00 N ATOM 782 CA PHE A 50 2.652 -0.638 0.526 1.00 0.00 C ATOM 783 C PHE A 50 3.231 -2.001 0.138 1.00 0.00 C ATOM 784 O PHE A 50 4.428 -2.225 0.214 1.00 0.00 O ATOM 785 CB PHE A 50 2.517 0.241 -0.728 1.00 0.00 C ATOM 786 CG PHE A 50 3.804 0.225 -1.533 1.00 0.00 C ATOM 787 CD1 PHE A 50 4.956 0.846 -1.033 1.00 0.00 C ATOM 788 CD2 PHE A 50 3.840 -0.408 -2.784 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.141 0.833 -1.784 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.022 -0.420 -3.532 1.00 0.00 C ATOM 791 CZ PHE A 50 6.172 0.200 -3.033 1.00 0.00 C ATOM 0 H PHE A 50 4.558 0.058 1.200 1.00 0.00 H new ATOM 0 HA PHE A 50 1.669 -0.766 0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.692 -0.118 -1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.276 1.264 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.932 1.334 -0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.953 -0.887 -3.171 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.029 1.311 -1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.047 -0.908 -4.495 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.084 0.191 -3.611 1.00 0.00 H new ATOM 801 N THR A 51 2.387 -2.914 -0.273 1.00 0.00 N ATOM 802 CA THR A 51 2.861 -4.276 -0.666 1.00 0.00 C ATOM 803 C THR A 51 2.253 -4.651 -2.020 1.00 0.00 C ATOM 804 O THR A 51 1.061 -4.531 -2.232 1.00 0.00 O ATOM 805 CB THR A 51 2.417 -5.284 0.396 1.00 0.00 C ATOM 806 OG1 THR A 51 3.007 -4.946 1.644 1.00 0.00 O ATOM 807 CG2 THR A 51 2.846 -6.695 -0.009 1.00 0.00 C ATOM 0 H THR A 51 1.380 -2.772 -0.354 1.00 0.00 H new ATOM 0 HA THR A 51 3.948 -4.284 -0.745 1.00 0.00 H new ATOM 0 HB THR A 51 1.331 -5.255 0.485 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.722 -5.590 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.526 -7.405 0.753 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.388 -6.955 -0.963 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.931 -6.732 -0.106 1.00 0.00 H new ATOM 815 N ILE A 52 3.065 -5.101 -2.940 1.00 0.00 N ATOM 816 CA ILE A 52 2.553 -5.487 -4.292 1.00 0.00 C ATOM 817 C ILE A 52 2.397 -7.006 -4.367 1.00 0.00 C ATOM 818 O ILE A 52 3.296 -7.750 -4.030 1.00 0.00 O ATOM 819 CB ILE A 52 3.547 -5.026 -5.357 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.673 -3.497 -5.303 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.048 -5.453 -6.738 1.00 0.00 C ATOM 822 CD1 ILE A 52 4.843 -3.030 -6.178 1.00 0.00 C ATOM 0 H ILE A 52 4.070 -5.219 -2.813 1.00 0.00 H new ATOM 0 HA ILE A 52 1.585 -5.016 -4.463 1.00 0.00 H new ATOM 0 HB ILE A 52 4.521 -5.478 -5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.747 -3.036 -5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.828 -3.174 -4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.756 -5.125 -7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.956 -6.539 -6.772 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.075 -5.001 -6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.922 -1.944 -6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.769 -3.477 -5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.671 -3.337 -7.210 1.00 0.00 H new ATOM 834 N TRP A 53 1.256 -7.477 -4.795 1.00 0.00 N ATOM 835 CA TRP A 53 1.040 -8.950 -4.879 1.00 0.00 C ATOM 836 C TRP A 53 1.646 -9.503 -6.171 1.00 0.00 C ATOM 837 O TRP A 53 1.565 -8.898 -7.222 1.00 0.00 O ATOM 838 CB TRP A 53 -0.460 -9.234 -4.854 1.00 0.00 C ATOM 839 CG TRP A 53 -0.993 -8.935 -3.490 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.708 -7.838 -3.155 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.855 -9.723 -2.274 1.00 0.00 C ATOM 842 NE1 TRP A 53 -2.024 -7.904 -1.810 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.519 -9.049 -1.223 1.00 0.00 C ATOM 844 CE3 TRP A 53 -0.227 -10.947 -1.987 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.557 -9.571 0.070 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -0.262 -11.476 -0.687 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.926 -10.790 0.340 1.00 0.00 C ATOM 0 H TRP A 53 0.465 -6.905 -5.090 1.00 0.00 H new ATOM 0 HA TRP A 53 1.525 -9.434 -4.031 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.970 -8.624 -5.599 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.650 -10.276 -5.111 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.987 -7.040 -3.828 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.563 -7.195 -1.313 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.286 -11.484 -2.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.070 -9.038 0.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.225 -12.417 -0.477 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.950 -11.202 1.338 1.00 0.00 H new ATOM 858 N LYS A 54 2.263 -10.652 -6.092 1.00 0.00 N ATOM 859 CA LYS A 54 2.893 -11.261 -7.301 1.00 0.00 C ATOM 860 C LYS A 54 1.822 -11.486 -8.365 1.00 0.00 C ATOM 861 O LYS A 54 2.055 -11.311 -9.544 1.00 0.00 O ATOM 862 CB LYS A 54 3.516 -12.604 -6.911 1.00 0.00 C ATOM 863 CG LYS A 54 4.316 -13.169 -8.086 1.00 0.00 C ATOM 864 CD LYS A 54 5.012 -14.460 -7.646 1.00 0.00 C ATOM 865 CE LYS A 54 5.843 -15.018 -8.803 1.00 0.00 C ATOM 866 NZ LYS A 54 4.937 -15.529 -9.869 1.00 0.00 N ATOM 0 H LYS A 54 2.358 -11.199 -5.236 1.00 0.00 H new ATOM 0 HA LYS A 54 3.663 -10.598 -7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.166 -12.475 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.735 -13.306 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.655 -13.367 -8.930 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.054 -12.441 -8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.653 -14.264 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.271 -15.195 -7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.492 -14.241 -9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.489 -15.820 -8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.480 -16.114 -10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.184 -16.103 -9.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.513 -14.727 -10.378 1.00 0.00 H new ATOM 880 N ASN A 55 0.648 -11.873 -7.957 1.00 0.00 N ATOM 881 CA ASN A 55 -0.440 -12.112 -8.943 1.00 0.00 C ATOM 882 C ASN A 55 -0.743 -10.814 -9.697 1.00 0.00 C ATOM 883 O ASN A 55 -1.570 -10.780 -10.587 1.00 0.00 O ATOM 884 CB ASN A 55 -1.691 -12.579 -8.200 1.00 0.00 C ATOM 885 CG ASN A 55 -1.420 -13.935 -7.545 1.00 0.00 C ATOM 886 OD1 ASN A 55 -1.957 -14.234 -6.498 1.00 0.00 O ATOM 887 ND2 ASN A 55 -0.602 -14.774 -8.120 1.00 0.00 N ATOM 0 H ASN A 55 0.394 -12.034 -6.982 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.130 -12.876 -9.657 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.971 -11.847 -7.443 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.529 -12.659 -8.892 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.415 -15.680 -7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.150 -14.524 -9.000 1.00 0.00 H new ATOM 894 N ALA A 56 -0.075 -9.745 -9.356 1.00 0.00 N ATOM 895 CA ALA A 56 -0.321 -8.454 -10.062 1.00 0.00 C ATOM 896 C ALA A 56 0.535 -8.415 -11.330 1.00 0.00 C ATOM 897 O ALA A 56 0.230 -7.718 -12.278 1.00 0.00 O ATOM 898 CB ALA A 56 0.058 -7.290 -9.144 1.00 0.00 C ATOM 0 H ALA A 56 0.630 -9.710 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.375 -8.368 -10.327 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.122 -6.347 -9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.547 -7.329 -8.238 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.113 -7.364 -8.879 1.00 0.00 H new ATOM 904 N GLU A 57 1.604 -9.165 -11.351 1.00 0.00 N ATOM 905 CA GLU A 57 2.490 -9.191 -12.552 1.00 0.00 C ATOM 906 C GLU A 57 2.913 -7.767 -12.918 1.00 0.00 C ATOM 907 O GLU A 57 2.832 -7.364 -14.062 1.00 0.00 O ATOM 908 CB GLU A 57 1.740 -9.822 -13.729 1.00 0.00 C ATOM 909 CG GLU A 57 1.387 -11.273 -13.392 1.00 0.00 C ATOM 910 CD GLU A 57 2.664 -12.117 -13.332 1.00 0.00 C ATOM 911 OE1 GLU A 57 3.707 -11.613 -13.714 1.00 0.00 O ATOM 912 OE2 GLU A 57 2.575 -13.252 -12.896 1.00 0.00 O ATOM 0 H GLU A 57 1.904 -9.765 -10.583 1.00 0.00 H new ATOM 0 HA GLU A 57 3.378 -9.782 -12.328 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.833 -9.256 -13.941 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.356 -9.786 -14.628 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.866 -11.317 -12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.709 -11.676 -14.144 1.00 0.00 H new ATOM 919 N LEU A 58 3.364 -7.004 -11.953 1.00 0.00 N ATOM 920 CA LEU A 58 3.798 -5.597 -12.232 1.00 0.00 C ATOM 921 C LEU A 58 5.330 -5.493 -12.099 1.00 0.00 C ATOM 922 O LEU A 58 5.929 -6.178 -11.292 1.00 0.00 O ATOM 923 CB LEU A 58 3.136 -4.664 -11.218 1.00 0.00 C ATOM 924 CG LEU A 58 1.622 -4.894 -11.209 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.986 -4.027 -10.119 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.026 -4.520 -12.575 1.00 0.00 C ATOM 0 H LEU A 58 3.451 -7.295 -10.979 1.00 0.00 H new ATOM 0 HA LEU A 58 3.505 -5.315 -13.243 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.546 -4.843 -10.224 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.353 -3.626 -11.470 1.00 0.00 H new ATOM 0 HG LEU A 58 1.419 -5.946 -11.008 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.092 -4.188 -10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.402 -4.299 -9.149 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.194 -2.977 -10.322 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.051 -4.687 -12.560 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.228 -3.470 -12.785 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.478 -5.138 -13.351 1.00 0.00 H new ATOM 938 N PRO A 59 5.967 -4.642 -12.882 1.00 0.00 N ATOM 939 CA PRO A 59 7.454 -4.465 -12.833 1.00 0.00 C ATOM 940 C PRO A 59 7.931 -3.826 -11.519 1.00 0.00 C ATOM 941 O PRO A 59 7.184 -3.168 -10.823 1.00 0.00 O ATOM 942 CB PRO A 59 7.761 -3.561 -14.042 1.00 0.00 C ATOM 943 CG PRO A 59 6.487 -2.823 -14.311 1.00 0.00 C ATOM 944 CD PRO A 59 5.352 -3.763 -13.894 1.00 0.00 C ATOM 0 HA PRO A 59 7.976 -5.421 -12.873 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.577 -2.872 -13.822 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.066 -4.150 -14.907 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.449 -1.892 -13.745 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.406 -2.558 -15.365 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.508 -3.210 -13.482 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.975 -4.334 -14.742 1.00 0.00 H new ATOM 952 N LEU A 60 9.175 -4.037 -11.173 1.00 0.00 N ATOM 953 CA LEU A 60 9.714 -3.468 -9.903 1.00 0.00 C ATOM 954 C LEU A 60 9.926 -1.961 -10.052 1.00 0.00 C ATOM 955 O LEU A 60 10.239 -1.463 -11.115 1.00 0.00 O ATOM 956 CB LEU A 60 11.046 -4.147 -9.574 1.00 0.00 C ATOM 957 CG LEU A 60 10.851 -5.667 -9.524 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.194 -6.338 -9.223 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.828 -6.036 -8.433 1.00 0.00 C ATOM 0 H LEU A 60 9.843 -4.582 -11.719 1.00 0.00 H new ATOM 0 HA LEU A 60 9.002 -3.645 -9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.792 -3.891 -10.326 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.422 -3.787 -8.616 1.00 0.00 H new ATOM 0 HG LEU A 60 10.475 -6.013 -10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.060 -7.419 -9.186 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.910 -6.087 -10.006 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.569 -5.986 -8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.698 -7.118 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.189 -5.691 -7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.872 -5.561 -8.655 1.00 0.00 H new ATOM 971 N LEU A 61 9.750 -1.234 -8.984 1.00 0.00 N ATOM 972 CA LEU A 61 9.928 0.245 -9.031 1.00 0.00 C ATOM 973 C LEU A 61 11.406 0.590 -8.829 1.00 0.00 C ATOM 974 O LEU A 61 12.154 -0.166 -8.240 1.00 0.00 O ATOM 975 CB LEU A 61 9.094 0.887 -7.925 1.00 0.00 C ATOM 976 CG LEU A 61 7.616 0.881 -8.326 1.00 0.00 C ATOM 977 CD1 LEU A 61 7.138 -0.563 -8.530 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.792 1.548 -7.219 1.00 0.00 C ATOM 0 H LEU A 61 9.488 -1.605 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 61 9.601 0.623 -10.000 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.230 0.342 -6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.429 1.909 -7.750 1.00 0.00 H new ATOM 0 HG LEU A 61 7.489 1.431 -9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.086 -0.561 -8.815 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.727 -1.033 -9.318 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.261 -1.122 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.738 1.547 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.921 0.997 -6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.130 2.575 -7.083 1.00 0.00 H new ATOM 990 N GLU A 62 11.834 1.728 -9.315 1.00 0.00 N ATOM 991 CA GLU A 62 13.268 2.130 -9.158 1.00 0.00 C ATOM 992 C GLU A 62 13.395 3.134 -8.005 1.00 0.00 C ATOM 993 O GLU A 62 12.593 4.034 -7.856 1.00 0.00 O ATOM 994 CB GLU A 62 13.750 2.780 -10.457 1.00 0.00 C ATOM 995 CG GLU A 62 15.261 3.013 -10.392 1.00 0.00 C ATOM 996 CD GLU A 62 15.984 1.666 -10.451 1.00 0.00 C ATOM 997 OE1 GLU A 62 15.321 0.672 -10.694 1.00 0.00 O ATOM 998 OE2 GLU A 62 17.187 1.652 -10.251 1.00 0.00 O ATOM 0 H GLU A 62 11.251 2.399 -9.816 1.00 0.00 H new ATOM 0 HA GLU A 62 13.875 1.251 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.508 2.140 -11.306 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.233 3.727 -10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.579 3.646 -11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.520 3.538 -9.473 1.00 0.00 H new ATOM 1005 N GLN A 63 14.392 2.967 -7.178 1.00 0.00 N ATOM 1006 CA GLN A 63 14.577 3.888 -6.017 1.00 0.00 C ATOM 1007 C GLN A 63 15.043 5.266 -6.495 1.00 0.00 C ATOM 1008 O GLN A 63 15.891 5.381 -7.358 1.00 0.00 O ATOM 1009 CB GLN A 63 15.636 3.311 -5.078 1.00 0.00 C ATOM 1010 CG GLN A 63 15.551 4.018 -3.725 1.00 0.00 C ATOM 1011 CD GLN A 63 16.599 3.439 -2.778 1.00 0.00 C ATOM 1012 OE1 GLN A 63 17.724 3.198 -3.170 1.00 0.00 O ATOM 1013 NE2 GLN A 63 16.275 3.205 -1.537 1.00 0.00 N ATOM 0 H GLN A 63 15.091 2.228 -7.257 1.00 0.00 H new ATOM 0 HA GLN A 63 13.624 3.991 -5.498 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.481 2.239 -4.952 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.629 3.441 -5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.713 5.088 -3.852 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.555 3.894 -3.301 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.331 3.408 -1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.966 2.819 -0.894 1.00 0.00 H new ATOM 1022 N GLY A 64 14.513 6.316 -5.923 1.00 0.00 N ATOM 1023 CA GLY A 64 14.939 7.689 -6.327 1.00 0.00 C ATOM 1024 C GLY A 64 14.036 8.194 -7.446 1.00 0.00 C ATOM 1025 O GLY A 64 14.024 9.368 -7.763 1.00 0.00 O ATOM 0 H GLY A 64 13.802 6.282 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.888 8.363 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.977 7.676 -6.661 1.00 0.00 H new ATOM 1029 N GLU A 65 13.287 7.316 -8.061 1.00 0.00 N ATOM 1030 CA GLU A 65 12.384 7.740 -9.176 1.00 0.00 C ATOM 1031 C GLU A 65 10.945 7.908 -8.673 1.00 0.00 C ATOM 1032 O GLU A 65 10.545 7.355 -7.652 1.00 0.00 O ATOM 1033 CB GLU A 65 12.421 6.697 -10.296 1.00 0.00 C ATOM 1034 CG GLU A 65 13.798 6.724 -10.967 1.00 0.00 C ATOM 1035 CD GLU A 65 13.825 5.729 -12.129 1.00 0.00 C ATOM 1036 OE1 GLU A 65 12.791 5.148 -12.412 1.00 0.00 O ATOM 1037 OE2 GLU A 65 14.880 5.570 -12.721 1.00 0.00 O ATOM 0 H GLU A 65 13.261 6.321 -7.840 1.00 0.00 H new ATOM 0 HA GLU A 65 12.732 8.699 -9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.220 5.705 -9.892 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.642 6.906 -11.029 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.017 7.728 -11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.572 6.472 -10.242 1.00 0.00 H new ATOM 1044 N SER A 66 10.175 8.673 -9.405 1.00 0.00 N ATOM 1045 CA SER A 66 8.750 8.918 -9.038 1.00 0.00 C ATOM 1046 C SER A 66 7.870 7.829 -9.654 1.00 0.00 C ATOM 1047 O SER A 66 8.191 7.265 -10.683 1.00 0.00 O ATOM 1048 CB SER A 66 8.314 10.290 -9.557 1.00 0.00 C ATOM 1049 OG SER A 66 8.843 11.300 -8.708 1.00 0.00 O ATOM 0 H SER A 66 10.481 9.145 -10.256 1.00 0.00 H new ATOM 0 HA SER A 66 8.646 8.896 -7.953 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.667 10.435 -10.578 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.226 10.353 -9.584 1.00 0.00 H new ATOM 0 HG SER A 66 8.938 12.135 -9.213 1.00 0.00 H new ATOM 1055 N TYR A 67 6.761 7.531 -9.033 1.00 0.00 N ATOM 1056 CA TYR A 67 5.849 6.482 -9.578 1.00 0.00 C ATOM 1057 C TYR A 67 4.394 6.897 -9.346 1.00 0.00 C ATOM 1058 O TYR A 67 4.048 7.470 -8.333 1.00 0.00 O ATOM 1059 CB TYR A 67 6.121 5.141 -8.875 1.00 0.00 C ATOM 1060 CG TYR A 67 7.299 4.452 -9.523 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.098 3.630 -10.640 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.586 4.633 -9.009 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.188 2.991 -11.243 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.674 3.993 -9.612 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.476 3.172 -10.729 1.00 0.00 C ATOM 1066 OH TYR A 67 10.551 2.544 -11.322 1.00 0.00 O ATOM 0 H TYR A 67 6.445 7.970 -8.168 1.00 0.00 H new ATOM 0 HA TYR A 67 6.028 6.370 -10.647 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.323 5.309 -7.817 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.238 4.504 -8.933 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.103 3.490 -11.035 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.740 5.266 -8.148 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.034 2.359 -12.105 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.669 4.132 -9.215 1.00 0.00 H new ATOM 0 HH TYR A 67 11.261 3.199 -11.489 1.00 0.00 H new ATOM 1076 N LEU A 68 3.546 6.582 -10.288 1.00 0.00 N ATOM 1077 CA LEU A 68 2.092 6.913 -10.169 1.00 0.00 C ATOM 1078 C LEU A 68 1.321 5.604 -10.058 1.00 0.00 C ATOM 1079 O LEU A 68 1.508 4.701 -10.847 1.00 0.00 O ATOM 1080 CB LEU A 68 1.639 7.691 -11.413 1.00 0.00 C ATOM 1081 CG LEU A 68 0.107 7.788 -11.473 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.422 8.454 -10.199 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.289 8.635 -12.686 1.00 0.00 C ATOM 0 H LEU A 68 3.802 6.101 -11.150 1.00 0.00 H new ATOM 0 HA LEU A 68 1.908 7.531 -9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.070 8.692 -11.397 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.011 7.197 -12.311 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.318 6.788 -11.558 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.509 8.520 -10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.133 7.861 -9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.001 9.456 -10.110 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.375 8.710 -12.738 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.140 9.632 -12.589 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.086 8.166 -13.595 1.00 0.00 H new ATOM 1095 N LEU A 69 0.458 5.494 -9.083 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.340 4.242 -8.903 1.00 0.00 C ATOM 1097 C LEU A 69 -1.826 4.556 -9.079 1.00 0.00 C ATOM 1098 O LEU A 69 -2.373 5.401 -8.401 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.097 3.685 -7.495 1.00 0.00 C ATOM 1100 CG LEU A 69 1.405 3.353 -7.301 1.00 0.00 C ATOM 1101 CD1 LEU A 69 2.139 4.535 -6.653 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.555 2.127 -6.393 1.00 0.00 C ATOM 0 H LEU A 69 0.269 6.224 -8.396 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.036 3.504 -9.645 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.415 4.413 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.698 2.788 -7.342 1.00 0.00 H new ATOM 0 HG LEU A 69 1.838 3.150 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.192 4.283 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.051 5.413 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.696 4.749 -5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.613 1.899 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.105 2.336 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.054 1.273 -6.849 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.474 3.888 -10.002 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.930 4.141 -10.255 1.00 0.00 C ATOM 1116 C ARG A 70 -4.754 2.887 -9.950 1.00 0.00 C ATOM 1117 O ARG A 70 -4.279 1.774 -10.058 1.00 0.00 O ATOM 1118 CB ARG A 70 -4.128 4.522 -11.720 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.440 5.856 -11.994 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.639 6.239 -13.460 1.00 0.00 C ATOM 1121 NE ARG A 70 -2.901 5.278 -14.325 1.00 0.00 N ATOM 1122 CZ ARG A 70 -2.964 5.386 -15.622 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -3.669 6.341 -16.163 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -2.323 4.539 -16.378 1.00 0.00 N ATOM 0 H ARG A 70 -2.055 3.173 -10.596 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.263 4.951 -9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.716 3.748 -12.367 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.191 4.595 -11.948 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.851 6.630 -11.346 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.376 5.782 -11.767 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.700 6.229 -13.709 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.280 7.253 -13.635 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.346 4.534 -13.902 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.171 7.003 -15.571 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.719 6.426 -17.178 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.773 3.792 -15.954 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.372 4.623 -17.393 1.00 0.00 H new ATOM 1138 N SER A 71 -5.992 3.076 -9.577 1.00 0.00 N ATOM 1139 CA SER A 71 -6.891 1.925 -9.272 1.00 0.00 C ATOM 1140 C SER A 71 -6.287 1.038 -8.176 1.00 0.00 C ATOM 1141 O SER A 71 -6.140 -0.154 -8.347 1.00 0.00 O ATOM 1142 CB SER A 71 -7.120 1.103 -10.548 1.00 0.00 C ATOM 1143 OG SER A 71 -8.115 1.739 -11.342 1.00 0.00 O ATOM 0 H SER A 71 -6.424 3.993 -9.469 1.00 0.00 H new ATOM 0 HA SER A 71 -7.844 2.310 -8.911 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.190 1.015 -11.110 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.434 0.091 -10.292 1.00 0.00 H new ATOM 0 HG SER A 71 -8.264 1.219 -12.159 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.958 1.608 -7.042 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.380 0.797 -5.920 1.00 0.00 C ATOM 1151 C VAL A 72 -6.377 0.775 -4.762 1.00 0.00 C ATOM 1152 O VAL A 72 -7.311 1.552 -4.719 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.057 1.415 -5.452 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.941 1.046 -6.433 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.194 2.936 -5.393 1.00 0.00 C ATOM 0 H VAL A 72 -6.065 2.603 -6.843 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.189 -0.219 -6.265 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.813 1.032 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.002 1.486 -6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.838 -0.038 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.187 1.427 -7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.253 3.373 -5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.441 3.318 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.986 3.203 -4.693 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.186 -0.125 -3.833 1.00 0.00 N ATOM 1166 CA VAL A 73 -7.119 -0.236 -2.668 1.00 0.00 C ATOM 1167 C VAL A 73 -6.326 -0.097 -1.368 1.00 0.00 C ATOM 1168 O VAL A 73 -5.180 -0.490 -1.277 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.817 -1.600 -2.716 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.785 -2.720 -2.576 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.833 -1.691 -1.577 1.00 0.00 C ATOM 0 H VAL A 73 -5.417 -0.795 -3.830 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.868 0.555 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.330 -1.708 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.289 -3.686 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.066 -2.656 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.263 -2.617 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.330 -2.660 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.320 -1.578 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.574 -0.899 -1.686 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.936 0.471 -0.365 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.236 0.659 0.942 1.00 0.00 C ATOM 1183 C VAL A 74 -6.493 -0.558 1.836 1.00 0.00 C ATOM 1184 O VAL A 74 -7.614 -1.002 1.988 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.776 1.923 1.614 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -6.145 2.082 2.998 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.432 3.141 0.750 1.00 0.00 C ATOM 0 H VAL A 74 -7.895 0.816 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.163 0.761 0.781 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.858 1.844 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.532 2.983 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.390 1.215 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.063 2.161 2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.815 4.044 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.350 3.218 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.886 3.029 -0.235 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.459 -1.108 2.429 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.633 -2.304 3.317 1.00 0.00 C ATOM 1199 C GLY A 75 -5.509 -1.881 4.783 1.00 0.00 C ATOM 1200 O GLY A 75 -4.809 -0.942 5.114 1.00 0.00 O ATOM 0 H GLY A 75 -4.498 -0.779 2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.607 -2.761 3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.881 -3.057 3.081 1.00 0.00 H new ATOM 1204 N GLU A 76 -6.184 -2.564 5.670 1.00 0.00 N ATOM 1205 CA GLU A 76 -6.105 -2.206 7.118 1.00 0.00 C ATOM 1206 C GLU A 76 -4.988 -3.026 7.777 1.00 0.00 C ATOM 1207 O GLU A 76 -5.163 -4.185 8.098 1.00 0.00 O ATOM 1208 CB GLU A 76 -7.450 -2.533 7.786 1.00 0.00 C ATOM 1209 CG GLU A 76 -7.604 -1.726 9.076 1.00 0.00 C ATOM 1210 CD GLU A 76 -6.506 -2.124 10.061 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -6.284 -3.312 10.224 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -5.905 -1.232 10.635 1.00 0.00 O ATOM 0 H GLU A 76 -6.788 -3.357 5.454 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.890 -1.144 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.269 -2.304 7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.507 -3.599 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.544 -0.659 8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.585 -1.907 9.516 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.840 -2.436 7.972 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.706 -3.181 8.598 1.00 0.00 C ATOM 1221 C TYR A 77 -2.689 -2.900 10.103 1.00 0.00 C ATOM 1222 O TYR A 77 -2.269 -1.849 10.542 1.00 0.00 O ATOM 1223 CB TYR A 77 -1.393 -2.705 7.969 1.00 0.00 C ATOM 1224 CG TYR A 77 -0.255 -3.583 8.429 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.075 -4.737 7.708 1.00 0.00 C ATOM 1226 CD2 TYR A 77 0.474 -3.240 9.572 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.135 -5.548 8.131 1.00 0.00 C ATOM 1228 CE2 TYR A 77 1.533 -4.050 9.996 1.00 0.00 C ATOM 1229 CZ TYR A 77 1.864 -5.204 9.276 1.00 0.00 C ATOM 1230 OH TYR A 77 2.910 -6.001 9.693 1.00 0.00 O ATOM 0 H TYR A 77 -3.636 -1.468 7.725 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.824 -4.252 8.433 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.469 -2.733 6.882 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.200 -1.669 8.248 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.488 -5.002 6.825 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.219 -2.350 10.128 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.390 -6.438 7.575 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.095 -3.785 10.879 1.00 0.00 H new ATOM 0 HH TYR A 77 3.310 -5.619 10.502 1.00 0.00 H new ATOM 1240 N ASN A 78 -3.142 -3.839 10.893 1.00 0.00 N ATOM 1241 CA ASN A 78 -3.164 -3.653 12.378 1.00 0.00 C ATOM 1242 C ASN A 78 -3.591 -2.224 12.739 1.00 0.00 C ATOM 1243 O ASN A 78 -4.730 -1.846 12.567 1.00 0.00 O ATOM 1244 CB ASN A 78 -1.773 -3.930 12.948 1.00 0.00 C ATOM 1245 CG ASN A 78 -1.488 -5.430 12.872 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -2.395 -6.226 12.723 1.00 0.00 O ATOM 1247 ND2 ASN A 78 -0.259 -5.852 12.971 1.00 0.00 N ATOM 0 H ASN A 78 -3.502 -4.737 10.570 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.884 -4.350 12.806 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.020 -3.376 12.387 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.716 -3.589 13.982 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.057 -6.851 12.923 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.501 -5.184 13.096 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.687 -1.432 13.255 1.00 0.00 N ATOM 1255 CA ASP A 79 -3.039 -0.029 13.645 1.00 0.00 C ATOM 1256 C ASP A 79 -2.675 0.944 12.521 1.00 0.00 C ATOM 1257 O ASP A 79 -3.162 2.057 12.470 1.00 0.00 O ATOM 1258 CB ASP A 79 -2.261 0.351 14.904 1.00 0.00 C ATOM 1259 CG ASP A 79 -2.718 1.725 15.392 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -3.732 2.199 14.904 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -2.048 2.280 16.245 1.00 0.00 O ATOM 0 H ASP A 79 -1.716 -1.695 13.425 1.00 0.00 H new ATOM 0 HA ASP A 79 -4.111 0.028 13.831 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.422 -0.395 15.682 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.192 0.366 14.693 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.806 0.542 11.630 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.384 1.445 10.514 1.00 0.00 C ATOM 1268 C ARG A 80 -2.115 1.062 9.226 1.00 0.00 C ATOM 1269 O ARG A 80 -2.656 -0.018 9.096 1.00 0.00 O ATOM 1270 CB ARG A 80 0.130 1.302 10.301 1.00 0.00 C ATOM 1271 CG ARG A 80 0.889 1.693 11.576 1.00 0.00 C ATOM 1272 CD ARG A 80 0.986 3.218 11.701 1.00 0.00 C ATOM 1273 NE ARG A 80 1.827 3.558 12.884 1.00 0.00 N ATOM 1274 CZ ARG A 80 1.831 4.774 13.352 1.00 0.00 C ATOM 1275 NH1 ARG A 80 1.109 5.692 12.773 1.00 0.00 N ATOM 1276 NH2 ARG A 80 2.558 5.072 14.395 1.00 0.00 N ATOM 0 H ARG A 80 -1.367 -0.379 11.626 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.630 2.476 10.770 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.370 0.274 10.028 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.448 1.934 9.472 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.380 1.283 12.448 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.889 1.260 11.557 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.421 3.643 10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.009 3.650 11.810 1.00 0.00 H new ATOM 0 HE ARG A 80 2.399 2.839 13.327 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.544 5.457 11.957 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.109 6.645 13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.124 4.352 14.845 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.560 6.024 14.760 1.00 0.00 H new ATOM 1290 N PHE A 81 -2.126 1.952 8.269 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.807 1.679 6.969 1.00 0.00 C ATOM 1292 C PHE A 81 -1.745 1.355 5.918 1.00 0.00 C ATOM 1293 O PHE A 81 -0.617 1.795 6.009 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.586 2.925 6.547 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.711 3.157 7.525 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.934 2.503 7.346 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.529 4.020 8.613 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.977 2.709 8.256 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.573 4.228 9.522 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.797 3.572 9.344 1.00 0.00 C ATOM 0 H PHE A 81 -1.686 2.870 8.334 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.493 0.838 7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.925 3.791 6.521 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.983 2.797 5.540 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.074 1.839 6.506 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.584 4.525 8.751 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.921 2.202 8.119 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.434 4.894 10.360 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.602 3.732 10.046 1.00 0.00 H new ATOM 1310 N GLN A 82 -2.091 0.579 4.924 1.00 0.00 N ATOM 1311 CA GLN A 82 -1.098 0.218 3.867 1.00 0.00 C ATOM 1312 C GLN A 82 -1.798 0.187 2.513 1.00 0.00 C ATOM 1313 O GLN A 82 -3.000 0.026 2.435 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.522 -1.164 4.167 1.00 0.00 C ATOM 1315 CG GLN A 82 0.309 -1.092 5.445 1.00 0.00 C ATOM 1316 CD GLN A 82 0.917 -2.460 5.745 1.00 0.00 C ATOM 1317 OE1 GLN A 82 1.828 -2.567 6.540 1.00 0.00 O ATOM 1318 NE2 GLN A 82 0.446 -3.517 5.146 1.00 0.00 N ATOM 0 H GLN A 82 -3.021 0.178 4.798 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.294 0.954 3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.327 -1.890 4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.096 -1.503 3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.099 -0.349 5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.316 -0.771 6.278 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.320 -3.426 4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.843 -4.435 5.345 1.00 0.00 H new ATOM 1327 N VAL A 83 -1.057 0.332 1.442 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.687 0.302 0.079 1.00 0.00 C ATOM 1329 C VAL A 83 -1.348 -1.028 -0.601 1.00 0.00 C ATOM 1330 O VAL A 83 -0.196 -1.384 -0.747 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.140 1.463 -0.764 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.076 1.743 -1.946 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -1.035 2.716 0.106 1.00 0.00 C ATOM 0 H VAL A 83 -0.046 0.470 1.449 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.768 0.402 0.172 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.155 1.193 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.679 2.568 -2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.151 0.852 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.065 2.008 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.647 3.542 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.022 2.977 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.361 2.524 0.941 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.348 -1.766 -1.011 1.00 0.00 N ATOM 1344 CA GLN A 84 -2.102 -3.082 -1.682 1.00 0.00 C ATOM 1345 C GLN A 84 -2.344 -2.943 -3.184 1.00 0.00 C ATOM 1346 O GLN A 84 -3.388 -2.498 -3.619 1.00 0.00 O ATOM 1347 CB GLN A 84 -3.058 -4.131 -1.113 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.669 -4.442 0.331 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.662 -5.443 0.921 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -4.548 -5.915 0.237 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.549 -5.790 2.173 1.00 0.00 N ATOM 0 H GLN A 84 -3.331 -1.513 -0.910 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.072 -3.390 -1.505 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.084 -3.765 -1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.020 -5.039 -1.715 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.659 -4.851 0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.664 -3.527 0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.805 -5.393 2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.205 -6.458 2.578 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.383 -3.328 -3.982 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.536 -3.234 -5.466 1.00 0.00 C ATOM 1362 C VAL A 85 -1.936 -4.603 -6.017 1.00 0.00 C ATOM 1363 O VAL A 85 -1.379 -5.617 -5.637 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.206 -2.810 -6.079 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.406 -2.509 -7.562 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.306 -1.559 -5.364 1.00 0.00 C ATOM 0 H VAL A 85 -0.490 -3.707 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.304 -2.501 -5.714 1.00 0.00 H new ATOM 0 HB VAL A 85 0.522 -3.613 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.544 -2.206 -8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.772 -3.402 -8.068 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.132 -1.704 -7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.257 -1.254 -5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.420 -0.753 -5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.446 -1.777 -4.305 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.903 -4.647 -6.902 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.355 -5.955 -7.475 1.00 0.00 C ATOM 1378 C ASN A 86 -3.384 -5.872 -9.004 1.00 0.00 C ATOM 1379 O ASN A 86 -2.879 -4.942 -9.602 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.762 -6.265 -6.964 1.00 0.00 C ATOM 1381 CG ASN A 86 -5.671 -5.061 -7.216 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -5.642 -4.475 -8.281 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -6.480 -4.661 -6.275 1.00 0.00 N ATOM 0 H ASN A 86 -3.401 -3.829 -7.254 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.664 -6.741 -7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.158 -7.146 -7.469 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.732 -6.495 -5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -7.088 -3.857 -6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.505 -5.152 -5.381 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.972 -6.849 -9.635 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.047 -6.861 -11.125 1.00 0.00 C ATOM 1392 C LYS A 87 -4.874 -5.672 -11.624 1.00 0.00 C ATOM 1393 O LYS A 87 -4.537 -5.036 -12.603 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.715 -8.162 -11.568 1.00 0.00 C ATOM 1395 CG LYS A 87 -3.796 -9.341 -11.244 1.00 0.00 C ATOM 1396 CD LYS A 87 -4.515 -10.662 -11.544 1.00 0.00 C ATOM 1397 CE LYS A 87 -4.560 -10.913 -13.056 1.00 0.00 C ATOM 1398 NZ LYS A 87 -4.991 -12.320 -13.306 1.00 0.00 N ATOM 0 H LYS A 87 -4.409 -7.649 -9.178 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.042 -6.788 -11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.672 -8.283 -11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.922 -8.131 -12.638 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.881 -9.273 -11.833 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.503 -9.307 -10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.001 -11.485 -11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.528 -10.631 -11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.252 -10.218 -13.532 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.578 -10.737 -13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.023 -12.496 -14.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.314 -12.974 -12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.936 -12.471 -12.899 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.963 -5.377 -10.968 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.822 -4.241 -11.411 1.00 0.00 C ATOM 1414 C ASN A 88 -6.064 -2.922 -11.239 1.00 0.00 C ATOM 1415 O ASN A 88 -6.393 -1.922 -11.844 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.098 -4.207 -10.564 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.065 -5.295 -11.038 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.930 -5.811 -12.130 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -10.042 -5.664 -10.258 1.00 0.00 N ATOM 0 H ASN A 88 -6.296 -5.875 -10.142 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.082 -4.374 -12.461 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.852 -4.359 -9.513 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.571 -3.228 -10.642 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.694 -6.386 -10.564 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.155 -5.230 -9.342 1.00 0.00 H new ATOM 1426 N SER A 89 -5.053 -2.912 -10.417 1.00 0.00 N ATOM 1427 CA SER A 89 -4.275 -1.657 -10.204 1.00 0.00 C ATOM 1428 C SER A 89 -3.265 -1.475 -11.339 1.00 0.00 C ATOM 1429 O SER A 89 -2.971 -2.395 -12.077 1.00 0.00 O ATOM 1430 CB SER A 89 -3.542 -1.724 -8.866 1.00 0.00 C ATOM 1431 OG SER A 89 -4.492 -1.836 -7.812 1.00 0.00 O ATOM 0 H SER A 89 -4.730 -3.718 -9.882 1.00 0.00 H new ATOM 0 HA SER A 89 -4.960 -0.809 -10.195 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.865 -2.578 -8.852 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.932 -0.831 -8.728 1.00 0.00 H new ATOM 0 HG SER A 89 -5.366 -1.522 -8.125 1.00 0.00 H new ATOM 1437 N SER A 90 -2.734 -0.288 -11.487 1.00 0.00 N ATOM 1438 CA SER A 90 -1.739 -0.019 -12.571 1.00 0.00 C ATOM 1439 C SER A 90 -0.602 0.834 -12.001 1.00 0.00 C ATOM 1440 O SER A 90 -0.744 1.455 -10.966 1.00 0.00 O ATOM 1441 CB SER A 90 -2.427 0.736 -13.708 1.00 0.00 C ATOM 1442 OG SER A 90 -3.371 -0.121 -14.333 1.00 0.00 O ATOM 0 H SER A 90 -2.949 0.515 -10.897 1.00 0.00 H new ATOM 0 HA SER A 90 -1.337 -0.958 -12.952 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.925 1.625 -13.321 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.689 1.075 -14.435 1.00 0.00 H new ATOM 0 HG SER A 90 -3.816 0.359 -15.062 1.00 0.00 H new ATOM 1448 N ILE A 91 0.525 0.883 -12.669 1.00 0.00 N ATOM 1449 CA ILE A 91 1.671 1.710 -12.172 1.00 0.00 C ATOM 1450 C ILE A 91 2.319 2.421 -13.361 1.00 0.00 C ATOM 1451 O ILE A 91 2.632 1.805 -14.359 1.00 0.00 O ATOM 1452 CB ILE A 91 2.709 0.806 -11.500 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.101 0.172 -10.243 1.00 0.00 C ATOM 1454 CG2 ILE A 91 3.942 1.634 -11.118 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.048 -0.893 -9.691 1.00 0.00 C ATOM 0 H ILE A 91 0.702 0.384 -13.541 1.00 0.00 H new ATOM 0 HA ILE A 91 1.308 2.441 -11.449 1.00 0.00 H new ATOM 0 HB ILE A 91 3.006 0.018 -12.192 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.921 0.938 -9.489 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.135 -0.275 -10.480 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.679 0.989 -10.640 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.375 2.077 -12.015 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.649 2.425 -10.427 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.612 -1.340 -8.798 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.206 -1.665 -10.444 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.003 -0.434 -9.437 1.00 0.00 H new ATOM 1467 N GLU A 92 2.530 3.711 -13.265 1.00 0.00 N ATOM 1468 CA GLU A 92 3.172 4.464 -14.392 1.00 0.00 C ATOM 1469 C GLU A 92 4.322 5.307 -13.837 1.00 0.00 C ATOM 1470 O GLU A 92 4.195 5.960 -12.822 1.00 0.00 O ATOM 1471 CB GLU A 92 2.136 5.378 -15.056 1.00 0.00 C ATOM 1472 CG GLU A 92 2.781 6.106 -16.238 1.00 0.00 C ATOM 1473 CD GLU A 92 1.731 6.972 -16.937 1.00 0.00 C ATOM 1474 OE1 GLU A 92 0.671 7.161 -16.364 1.00 0.00 O ATOM 1475 OE2 GLU A 92 2.004 7.426 -18.036 1.00 0.00 O ATOM 0 H GLU A 92 2.285 4.278 -12.453 1.00 0.00 H new ATOM 0 HA GLU A 92 3.555 3.762 -15.133 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.284 4.791 -15.398 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.756 6.100 -14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.607 6.727 -15.890 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.198 5.384 -16.940 1.00 0.00 H new ATOM 1482 N LYS A 93 5.445 5.284 -14.496 1.00 0.00 N ATOM 1483 CA LYS A 93 6.616 6.072 -14.018 1.00 0.00 C ATOM 1484 C LYS A 93 6.409 7.555 -14.332 1.00 0.00 C ATOM 1485 O LYS A 93 5.922 7.915 -15.385 1.00 0.00 O ATOM 1486 CB LYS A 93 7.874 5.570 -14.724 1.00 0.00 C ATOM 1487 CG LYS A 93 9.103 6.290 -14.161 1.00 0.00 C ATOM 1488 CD LYS A 93 10.366 5.811 -14.885 1.00 0.00 C ATOM 1489 CE LYS A 93 10.752 4.401 -14.421 1.00 0.00 C ATOM 1490 NZ LYS A 93 12.139 4.101 -14.880 1.00 0.00 N ATOM 0 H LYS A 93 5.604 4.750 -15.351 1.00 0.00 H new ATOM 0 HA LYS A 93 6.722 5.950 -12.940 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.976 4.494 -14.585 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.796 5.747 -15.797 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.991 7.367 -14.282 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.191 6.096 -13.092 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.197 5.812 -15.962 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.187 6.501 -14.691 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.692 4.333 -13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.055 3.667 -14.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.233 3.081 -15.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.336 4.625 -15.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.817 4.388 -14.146 1.00 0.00 H new ATOM 1504 N LEU A 94 6.772 8.422 -13.423 1.00 0.00 N ATOM 1505 CA LEU A 94 6.598 9.886 -13.668 1.00 0.00 C ATOM 1506 C LEU A 94 7.889 10.478 -14.242 1.00 0.00 C ATOM 1507 O LEU A 94 8.987 10.124 -13.854 1.00 0.00 O ATOM 1508 CB LEU A 94 6.223 10.587 -12.336 1.00 0.00 C ATOM 1509 CG LEU A 94 4.883 11.347 -12.473 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.985 12.413 -13.587 1.00 0.00 C ATOM 1511 CD2 LEU A 94 3.742 10.350 -12.786 1.00 0.00 C ATOM 0 H LEU A 94 7.182 8.180 -12.521 1.00 0.00 H new ATOM 0 HA LEU A 94 5.798 10.044 -14.391 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.147 9.847 -11.539 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.013 11.282 -12.051 1.00 0.00 H new ATOM 0 HG LEU A 94 4.663 11.850 -11.531 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.035 12.941 -13.673 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.774 13.123 -13.340 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.218 11.928 -14.535 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.801 10.892 -12.881 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.958 9.831 -13.720 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.662 9.623 -11.978 1.00 0.00 H new ATOM 1523 N SER A 95 7.748 11.388 -15.163 1.00 0.00 N ATOM 1524 CA SER A 95 8.939 12.032 -15.779 1.00 0.00 C ATOM 1525 C SER A 95 9.396 13.205 -14.907 1.00 0.00 C ATOM 1526 O SER A 95 10.441 13.783 -15.136 1.00 0.00 O ATOM 1527 CB SER A 95 8.568 12.560 -17.166 1.00 0.00 C ATOM 1528 OG SER A 95 9.737 13.062 -17.800 1.00 0.00 O ATOM 0 H SER A 95 6.850 11.716 -15.518 1.00 0.00 H new ATOM 0 HA SER A 95 9.743 11.300 -15.862 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.127 11.764 -17.766 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.819 13.347 -17.081 1.00 0.00 H new ATOM 0 HG SER A 95 10.345 13.427 -17.123 1.00 0.00 H new ATOM 1534 N GLU A 96 8.615 13.571 -13.913 1.00 0.00 N ATOM 1535 CA GLU A 96 8.994 14.723 -13.028 1.00 0.00 C ATOM 1536 C GLU A 96 9.363 14.210 -11.623 1.00 0.00 C ATOM 1537 O GLU A 96 8.650 13.400 -11.061 1.00 0.00 O ATOM 1538 CB GLU A 96 7.805 15.677 -12.912 1.00 0.00 C ATOM 1539 CG GLU A 96 7.529 16.299 -14.278 1.00 0.00 C ATOM 1540 CD GLU A 96 6.223 17.095 -14.229 1.00 0.00 C ATOM 1541 OE1 GLU A 96 5.185 16.509 -14.489 1.00 0.00 O ATOM 1542 OE2 GLU A 96 6.284 18.276 -13.931 1.00 0.00 O ATOM 0 H GLU A 96 7.731 13.121 -13.677 1.00 0.00 H new ATOM 0 HA GLU A 96 9.851 15.239 -13.460 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.925 15.140 -12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.018 16.456 -12.180 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.353 16.952 -14.564 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.462 15.519 -15.037 1.00 0.00 H new ATOM 1549 N PRO A 97 10.457 14.675 -11.041 1.00 0.00 N ATOM 1550 CA PRO A 97 10.876 14.237 -9.675 1.00 0.00 C ATOM 1551 C PRO A 97 10.012 14.870 -8.573 1.00 0.00 C ATOM 1552 O PRO A 97 9.450 15.932 -8.748 1.00 0.00 O ATOM 1553 CB PRO A 97 12.335 14.707 -9.579 1.00 0.00 C ATOM 1554 CG PRO A 97 12.402 15.914 -10.457 1.00 0.00 C ATOM 1555 CD PRO A 97 11.410 15.661 -11.601 1.00 0.00 C ATOM 0 HA PRO A 97 10.762 13.162 -9.532 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.606 14.949 -8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.024 13.933 -9.917 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.137 16.815 -9.903 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.411 16.061 -10.841 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.904 16.579 -11.900 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.913 15.271 -12.486 1.00 0.00 H new ATOM 1563 N ILE A 98 9.906 14.218 -7.440 1.00 0.00 N ATOM 1564 CA ILE A 98 9.084 14.759 -6.306 1.00 0.00 C ATOM 1565 C ILE A 98 10.017 15.158 -5.165 1.00 0.00 C ATOM 1566 O ILE A 98 10.913 14.425 -4.798 1.00 0.00 O ATOM 1567 CB ILE A 98 8.102 13.685 -5.831 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.118 13.392 -6.968 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.342 14.182 -4.594 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.241 12.189 -6.616 1.00 0.00 C ATOM 0 H ILE A 98 10.358 13.324 -7.249 1.00 0.00 H new ATOM 0 HA ILE A 98 8.520 15.632 -6.636 1.00 0.00 H new ATOM 0 HB ILE A 98 8.642 12.777 -5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.492 14.266 -7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.665 13.194 -7.890 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.645 13.413 -4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.051 14.400 -3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.790 15.087 -4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.547 11.993 -7.433 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.871 11.314 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.679 12.402 -5.706 1.00 0.00 H new ATOM 1582 N GLU A 99 9.823 16.320 -4.606 1.00 0.00 N ATOM 1583 CA GLU A 99 10.709 16.772 -3.493 1.00 0.00 C ATOM 1584 C GLU A 99 10.156 16.270 -2.159 1.00 0.00 C ATOM 1585 O GLU A 99 9.033 16.555 -1.793 1.00 0.00 O ATOM 1586 CB GLU A 99 10.760 18.302 -3.481 1.00 0.00 C ATOM 1587 CG GLU A 99 11.760 18.789 -2.425 1.00 0.00 C ATOM 1588 CD GLU A 99 13.184 18.439 -2.864 1.00 0.00 C ATOM 1589 OE1 GLU A 99 13.347 18.003 -3.991 1.00 0.00 O ATOM 1590 OE2 GLU A 99 14.088 18.618 -2.064 1.00 0.00 O ATOM 0 H GLU A 99 9.089 16.977 -4.871 1.00 0.00 H new ATOM 0 HA GLU A 99 11.712 16.371 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.050 18.671 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.770 18.705 -3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.665 19.866 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.542 18.326 -1.462 1.00 0.00 H new ATOM 1597 N VAL A 100 10.951 15.536 -1.424 1.00 0.00 N ATOM 1598 CA VAL A 100 10.508 15.012 -0.095 1.00 0.00 C ATOM 1599 C VAL A 100 11.260 15.769 1.002 1.00 0.00 C ATOM 1600 O VAL A 100 10.888 15.748 2.159 1.00 0.00 O ATOM 1601 CB VAL A 100 10.843 13.522 -0.014 1.00 0.00 C ATOM 1602 CG1 VAL A 100 10.267 12.927 1.272 1.00 0.00 C ATOM 1603 CG2 VAL A 100 10.238 12.803 -1.223 1.00 0.00 C ATOM 0 H VAL A 100 11.900 15.274 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 100 9.434 15.150 0.032 1.00 0.00 H new ATOM 0 HB VAL A 100 11.926 13.396 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.510 11.866 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.696 13.439 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 100 9.184 13.052 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 100 10.474 11.740 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.156 12.935 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.653 13.221 -2.140 1.00 0.00 H new ATOM 1613 N GLY A 101 12.319 16.447 0.636 1.00 0.00 N ATOM 1614 CA GLY A 101 13.110 17.222 1.633 1.00 0.00 C ATOM 1615 C GLY A 101 12.515 18.620 1.762 1.00 0.00 C ATOM 1616 O GLY A 101 12.407 19.354 0.800 1.00 0.00 O ATOM 0 H GLY A 101 12.670 16.495 -0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.097 16.717 2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.152 17.284 1.320 1.00 0.00 H new ATOM 1620 N LEU A 102 12.121 18.992 2.943 1.00 0.00 N ATOM 1621 CA LEU A 102 11.521 20.337 3.148 1.00 0.00 C ATOM 1622 C LEU A 102 12.629 21.339 3.458 1.00 0.00 C ATOM 1623 O LEU A 102 13.213 21.342 4.524 1.00 0.00 O ATOM 1624 CB LEU A 102 10.535 20.265 4.316 1.00 0.00 C ATOM 1625 CG LEU A 102 9.504 19.161 4.044 1.00 0.00 C ATOM 1626 CD1 LEU A 102 8.549 19.047 5.237 1.00 0.00 C ATOM 1627 CD2 LEU A 102 8.703 19.483 2.770 1.00 0.00 C ATOM 0 H LEU A 102 12.189 18.418 3.783 1.00 0.00 H new ATOM 0 HA LEU A 102 10.994 20.657 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.068 20.060 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.033 21.224 4.442 1.00 0.00 H new ATOM 0 HG LEU A 102 10.027 18.215 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.817 18.263 5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.116 18.801 6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.034 19.996 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.975 18.692 2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.183 20.432 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.383 19.553 1.921 1.00 0.00 H new ATOM 1639 N GLU A 103 12.919 22.186 2.517 1.00 0.00 N ATOM 1640 CA GLU A 103 13.988 23.205 2.708 1.00 0.00 C ATOM 1641 C GLU A 103 13.464 24.345 3.583 1.00 0.00 C ATOM 1642 O GLU A 103 14.184 25.265 3.918 1.00 0.00 O ATOM 1643 CB GLU A 103 14.397 23.763 1.343 1.00 0.00 C ATOM 1644 CG GLU A 103 15.091 22.669 0.532 1.00 0.00 C ATOM 1645 CD GLU A 103 15.413 23.192 -0.869 1.00 0.00 C ATOM 1646 OE1 GLU A 103 15.150 24.357 -1.122 1.00 0.00 O ATOM 1647 OE2 GLU A 103 15.920 22.420 -1.667 1.00 0.00 O ATOM 0 H GLU A 103 12.455 22.218 1.609 1.00 0.00 H new ATOM 0 HA GLU A 103 14.848 22.744 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.519 24.125 0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.065 24.614 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.007 22.357 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.449 21.791 0.464 1.00 0.00 H new ATOM 1654 N HIS A 104 12.211 24.302 3.949 1.00 0.00 N ATOM 1655 CA HIS A 104 11.644 25.393 4.794 1.00 0.00 C ATOM 1656 C HIS A 104 12.024 26.748 4.188 1.00 0.00 C ATOM 1657 O HIS A 104 12.404 27.669 4.882 1.00 0.00 O ATOM 1658 CB HIS A 104 12.209 25.283 6.211 1.00 0.00 C ATOM 1659 CG HIS A 104 11.688 24.027 6.856 1.00 0.00 C ATOM 1660 ND1 HIS A 104 12.261 22.785 6.626 1.00 0.00 N ATOM 1661 CD2 HIS A 104 10.644 23.803 7.719 1.00 0.00 C ATOM 1662 CE1 HIS A 104 11.566 21.880 7.336 1.00 0.00 C ATOM 1663 NE2 HIS A 104 10.569 22.446 8.022 1.00 0.00 N ATOM 0 H HIS A 104 11.557 23.560 3.700 1.00 0.00 H new ATOM 0 HA HIS A 104 10.558 25.305 4.833 1.00 0.00 H new ATOM 0 HB2 HIS A 104 13.298 25.265 6.180 1.00 0.00 H new ATOM 0 HB3 HIS A 104 11.921 26.154 6.799 1.00 0.00 H new ATOM 0 HD1 HIS A 104 13.064 22.593 6.027 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.981 24.564 8.104 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.787 20.823 7.350 1.00 0.00 H new ATOM 1671 N HIS A 105 11.920 26.868 2.892 1.00 0.00 N ATOM 1672 CA HIS A 105 12.268 28.154 2.223 1.00 0.00 C ATOM 1673 C HIS A 105 11.372 29.269 2.767 1.00 0.00 C ATOM 1674 O HIS A 105 11.825 30.354 3.071 1.00 0.00 O ATOM 1675 CB HIS A 105 12.043 28.008 0.715 1.00 0.00 C ATOM 1676 CG HIS A 105 12.470 29.265 0.010 1.00 0.00 C ATOM 1677 ND1 HIS A 105 11.603 30.323 -0.209 1.00 0.00 N ATOM 1678 CD2 HIS A 105 13.670 29.643 -0.540 1.00 0.00 C ATOM 1679 CE1 HIS A 105 12.287 31.278 -0.865 1.00 0.00 C ATOM 1680 NE2 HIS A 105 13.553 30.915 -1.093 1.00 0.00 N ATOM 0 H HIS A 105 11.607 26.127 2.265 1.00 0.00 H new ATOM 0 HA HIS A 105 13.311 28.402 2.418 1.00 0.00 H new ATOM 0 HB2 HIS A 105 12.609 27.157 0.335 1.00 0.00 H new ATOM 0 HB3 HIS A 105 10.991 27.807 0.513 1.00 0.00 H new ATOM 0 HD2 HIS A 105 14.569 29.044 -0.543 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.864 32.224 -1.170 1.00 0.00 H new ATOM 0 HE2 HIS A 105 14.277 31.453 -1.569 1.00 0.00 H new ATOM 1688 N HIS A 106 10.098 29.009 2.895 1.00 0.00 N ATOM 1689 CA HIS A 106 9.166 30.049 3.421 1.00 0.00 C ATOM 1690 C HIS A 106 8.000 29.368 4.138 1.00 0.00 C ATOM 1691 O HIS A 106 7.764 28.188 3.976 1.00 0.00 O ATOM 1692 CB HIS A 106 8.634 30.894 2.260 1.00 0.00 C ATOM 1693 CG HIS A 106 7.938 30.007 1.265 1.00 0.00 C ATOM 1694 ND1 HIS A 106 8.624 29.339 0.262 1.00 0.00 N ATOM 1695 CD2 HIS A 106 6.616 29.675 1.099 1.00 0.00 C ATOM 1696 CE1 HIS A 106 7.721 28.645 -0.454 1.00 0.00 C ATOM 1697 NE2 HIS A 106 6.481 28.814 0.014 1.00 0.00 N ATOM 0 H HIS A 106 9.661 28.118 2.657 1.00 0.00 H new ATOM 0 HA HIS A 106 9.696 30.694 4.122 1.00 0.00 H new ATOM 0 HB2 HIS A 106 7.943 31.649 2.634 1.00 0.00 H new ATOM 0 HB3 HIS A 106 9.455 31.424 1.777 1.00 0.00 H new ATOM 0 HD1 HIS A 106 9.630 29.368 0.097 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.804 30.029 1.717 1.00 0.00 H new ATOM 0 HE1 HIS A 106 7.968 28.026 -1.304 1.00 0.00 H new ATOM 1705 N HIS A 107 7.272 30.105 4.937 1.00 0.00 N ATOM 1706 CA HIS A 107 6.116 29.510 5.679 1.00 0.00 C ATOM 1707 C HIS A 107 4.937 30.483 5.644 1.00 0.00 C ATOM 1708 O HIS A 107 4.296 30.733 6.645 1.00 0.00 O ATOM 1709 CB HIS A 107 6.527 29.261 7.131 1.00 0.00 C ATOM 1710 CG HIS A 107 7.227 30.481 7.666 1.00 0.00 C ATOM 1711 ND1 HIS A 107 6.577 31.418 8.453 1.00 0.00 N ATOM 1712 CD2 HIS A 107 8.517 30.930 7.535 1.00 0.00 C ATOM 1713 CE1 HIS A 107 7.470 32.375 8.764 1.00 0.00 C ATOM 1714 NE2 HIS A 107 8.669 32.127 8.229 1.00 0.00 N ATOM 0 H HIS A 107 7.428 31.098 5.109 1.00 0.00 H new ATOM 0 HA HIS A 107 5.824 28.569 5.213 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.649 29.037 7.736 1.00 0.00 H new ATOM 0 HB3 HIS A 107 7.185 28.394 7.191 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.296 30.431 6.978 1.00 0.00 H new ATOM 0 HE1 HIS A 107 7.245 33.239 9.372 1.00 0.00 H new ATOM 0 HE2 HIS A 107 9.514 32.693 8.311 1.00 0.00 H new ATOM 1722 N HIS A 108 4.642 31.034 4.499 1.00 0.00 N ATOM 1723 CA HIS A 108 3.502 31.987 4.407 1.00 0.00 C ATOM 1724 C HIS A 108 2.202 31.249 4.730 1.00 0.00 C ATOM 1725 O HIS A 108 1.349 31.749 5.434 1.00 0.00 O ATOM 1726 CB HIS A 108 3.425 32.557 2.989 1.00 0.00 C ATOM 1727 CG HIS A 108 2.318 33.573 2.915 1.00 0.00 C ATOM 1728 ND1 HIS A 108 1.018 33.225 2.588 1.00 0.00 N ATOM 1729 CD2 HIS A 108 2.302 34.931 3.121 1.00 0.00 C ATOM 1730 CE1 HIS A 108 0.280 34.348 2.608 1.00 0.00 C ATOM 1731 NE2 HIS A 108 1.014 35.418 2.928 1.00 0.00 N ATOM 0 H HIS A 108 5.140 30.866 3.625 1.00 0.00 H new ATOM 0 HA HIS A 108 3.648 32.801 5.117 1.00 0.00 H new ATOM 0 HB2 HIS A 108 4.375 33.018 2.719 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.245 31.755 2.273 1.00 0.00 H new ATOM 0 HD2 HIS A 108 3.159 35.529 3.392 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -0.778 34.382 2.392 1.00 0.00 H new ATOM 0 HE2 HIS A 108 0.697 36.384 3.012 1.00 0.00 H new ATOM 1739 N HIS A 109 2.047 30.060 4.218 1.00 0.00 N ATOM 1740 CA HIS A 109 0.805 29.284 4.492 1.00 0.00 C ATOM 1741 C HIS A 109 0.611 29.143 6.003 1.00 0.00 C ATOM 1742 O HIS A 109 1.597 28.929 6.690 1.00 0.00 O ATOM 1743 CB HIS A 109 0.927 27.897 3.861 1.00 0.00 C ATOM 1744 CG HIS A 109 1.089 28.038 2.373 1.00 0.00 C ATOM 1745 ND1 HIS A 109 0.029 28.358 1.539 1.00 0.00 N ATOM 1746 CD2 HIS A 109 2.183 27.909 1.554 1.00 0.00 C ATOM 1747 CE1 HIS A 109 0.504 28.408 0.281 1.00 0.00 C ATOM 1748 NE2 HIS A 109 1.811 28.142 0.235 1.00 0.00 N ATOM 1749 OXT HIS A 109 -0.521 29.249 6.446 1.00 0.00 O ATOM 0 H HIS A 109 2.728 29.591 3.621 1.00 0.00 H new ATOM 0 HA HIS A 109 -0.052 29.806 4.066 1.00 0.00 H new ATOM 0 HB2 HIS A 109 1.782 27.368 4.282 1.00 0.00 H new ATOM 0 HB3 HIS A 109 0.041 27.303 4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 109 3.182 27.664 1.884 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -0.099 28.636 -0.586 1.00 0.00 H new ATOM 0 HE2 HIS A 109 2.409 28.115 -0.591 1.00 0.00 H new TER 1757 HIS A 109