USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 700 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 89 SER OG : rot 61:sc= 1.19 USER MOD Set 1.2: A 95 GLN : amide:sc= -2.43! C(o=-1.2!,f=-7.7!) USER MOD Set 2.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 70 GLN :FLIP amide:sc= -7.87! C(o=-11!,f=-7.9!) USER MOD Set 2.3: A 71 TYR OH : rot 180:sc= 0.00773 USER MOD Set 3.1: A 45 CYS SG : rot 180:sc= -0.167 USER MOD Set 3.2: A 48 HIS :FLIP no HD1:sc= -7.28! C(o=-8!,f=-7.4!) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.342 F(o=-1.3,f=-0.34) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS :FLIP no HD1:sc= -1.48 F(o=-4.2!,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -119:sc= -0.0201 (180deg=-0.224) USER MOD Single : A 55 MET CE :methyl -141:sc= -2.5 (180deg=-7.68!) USER MOD Single : A 57 LYS NZ :NH3+ -107:sc=-0.00466 (180deg=-0.424) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -148:sc= -0.605 (180deg=-2.29!) USER MOD Single : A 65 ASN : amide:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : A 72 SER OG : rot 31:sc= 0.521 USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.269) USER MOD Single : A 78 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.023) USER MOD Single : A 85 MET CE :methyl 136:sc= -3.77! (180deg=-4.86!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.173! USER MOD Single : A 90 MET CE :methyl 155:sc= -0.157 (180deg=-0.442) USER MOD Single : A 112 THR OG1 : rot -130:sc= -1.83! USER MOD Single : A 117 LYS NZ :NH3+ -105:sc= -1.98 (180deg=-3.32!) USER MOD Single : A 118 THR OG1 : rot 123:sc= 0.0725! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 0:sc= -1.42 USER MOD Single : A 123 HIS : no HD1:sc= -15.8! C(o=-16!,f=-17!) USER MOD Single : A 126 MET CE :methyl -154:sc= -0.361 (180deg=-1.25) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 -1.409 -18.135 -11.673 1.00 0.00 N ATOM 2 CA ASN A 36 -2.043 -18.383 -13.001 1.00 0.00 C ATOM 3 C ASN A 36 -2.266 -17.081 -13.781 1.00 0.00 C ATOM 4 O ASN A 36 -2.160 -17.054 -14.992 1.00 0.00 O ATOM 5 CB ASN A 36 -3.388 -19.029 -12.671 1.00 0.00 C ATOM 6 CG ASN A 36 -3.950 -19.725 -13.915 1.00 0.00 C ATOM 7 OD1 ASN A 36 -3.375 -19.546 -15.076 1.00 0.00 O flip ATOM 8 ND2 ASN A 36 -4.928 -20.439 -13.831 1.00 0.00 N flip ATOM 0 HA ASN A 36 -1.410 -19.007 -13.631 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.266 -19.751 -11.863 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.089 -18.272 -12.319 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.379 -20.581 -12.927 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.298 -20.897 -14.664 1.00 0.00 H new ATOM 15 N ALA A 37 -2.599 -16.009 -13.116 1.00 0.00 N ATOM 16 CA ALA A 37 -2.855 -14.738 -13.853 1.00 0.00 C ATOM 17 C ALA A 37 -1.870 -13.640 -13.444 1.00 0.00 C ATOM 18 O ALA A 37 -1.044 -13.813 -12.570 1.00 0.00 O ATOM 19 CB ALA A 37 -4.277 -14.339 -13.466 1.00 0.00 C ATOM 0 H ALA A 37 -2.704 -15.957 -12.103 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.732 -14.872 -14.928 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.544 -13.409 -13.969 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.970 -15.125 -13.766 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.334 -14.197 -12.387 1.00 0.00 H new ATOM 25 N VAL A 38 -1.968 -12.508 -14.083 1.00 0.00 N ATOM 26 CA VAL A 38 -1.059 -11.368 -13.766 1.00 0.00 C ATOM 27 C VAL A 38 -1.895 -10.157 -13.330 1.00 0.00 C ATOM 28 O VAL A 38 -3.022 -9.994 -13.747 1.00 0.00 O ATOM 29 CB VAL A 38 -0.305 -11.089 -15.077 1.00 0.00 C ATOM 30 CG1 VAL A 38 -1.240 -11.297 -16.273 1.00 0.00 C ATOM 31 CG2 VAL A 38 0.211 -9.647 -15.087 1.00 0.00 C ATOM 0 H VAL A 38 -2.647 -12.321 -14.821 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.367 -11.583 -12.952 1.00 0.00 H new ATOM 0 HB VAL A 38 0.537 -11.777 -15.149 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.698 -11.097 -17.197 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.600 -12.326 -16.279 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.088 -10.616 -16.195 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.744 -9.458 -16.019 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.630 -8.959 -15.004 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.887 -9.497 -14.245 1.00 0.00 H new ATOM 41 N LYS A 39 -1.352 -9.305 -12.501 1.00 0.00 N ATOM 42 CA LYS A 39 -2.124 -8.106 -12.044 1.00 0.00 C ATOM 43 C LYS A 39 -1.689 -6.869 -12.830 1.00 0.00 C ATOM 44 O LYS A 39 -0.526 -6.505 -12.842 1.00 0.00 O ATOM 45 CB LYS A 39 -1.782 -7.960 -10.561 1.00 0.00 C ATOM 46 CG LYS A 39 -2.646 -6.863 -9.936 1.00 0.00 C ATOM 47 CD LYS A 39 -1.743 -5.755 -9.391 1.00 0.00 C ATOM 48 CE LYS A 39 -1.372 -6.061 -7.937 1.00 0.00 C ATOM 49 NZ LYS A 39 -1.386 -4.740 -7.250 1.00 0.00 N ATOM 0 H LYS A 39 -0.409 -9.385 -12.120 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.197 -8.215 -12.202 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.949 -8.905 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.726 -7.715 -10.444 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.331 -6.456 -10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.256 -7.278 -9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.841 -5.676 -9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.253 -4.794 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.086 -6.749 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.390 -6.530 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.141 -4.868 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.692 -4.108 -7.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.335 -4.320 -7.324 1.00 0.00 H new ATOM 63 N VAL A 40 -2.611 -6.225 -13.505 1.00 0.00 N ATOM 64 CA VAL A 40 -2.226 -5.025 -14.310 1.00 0.00 C ATOM 65 C VAL A 40 -3.285 -3.916 -14.271 1.00 0.00 C ATOM 66 O VAL A 40 -4.474 -4.162 -14.223 1.00 0.00 O ATOM 67 CB VAL A 40 -2.102 -5.549 -15.738 1.00 0.00 C ATOM 68 CG1 VAL A 40 -3.481 -5.954 -16.252 1.00 0.00 C ATOM 69 CG2 VAL A 40 -1.529 -4.452 -16.638 1.00 0.00 C ATOM 0 H VAL A 40 -3.600 -6.474 -13.533 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.312 -4.579 -13.918 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.438 -6.414 -15.750 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.394 -6.328 -17.272 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.893 -6.735 -15.613 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.143 -5.088 -16.239 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.441 -4.827 -17.658 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.193 -3.588 -16.626 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.545 -4.159 -16.273 1.00 0.00 H new ATOM 79 N ARG A 41 -2.833 -2.694 -14.348 1.00 0.00 N ATOM 80 CA ARG A 41 -3.754 -1.520 -14.381 1.00 0.00 C ATOM 81 C ARG A 41 -3.326 -0.645 -15.560 1.00 0.00 C ATOM 82 O ARG A 41 -2.148 -0.464 -15.793 1.00 0.00 O ATOM 83 CB ARG A 41 -3.538 -0.791 -13.051 1.00 0.00 C ATOM 84 CG ARG A 41 -3.853 -1.736 -11.891 1.00 0.00 C ATOM 85 CD ARG A 41 -4.006 -0.930 -10.597 1.00 0.00 C ATOM 86 NE ARG A 41 -5.231 -0.109 -10.797 1.00 0.00 N ATOM 87 CZ ARG A 41 -5.646 0.685 -9.848 1.00 0.00 C ATOM 88 NH1 ARG A 41 -5.157 0.572 -8.642 1.00 0.00 N ATOM 89 NH2 ARG A 41 -6.549 1.591 -10.104 1.00 0.00 N ATOM 0 H ARG A 41 -1.842 -2.454 -14.390 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.804 -1.785 -14.502 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.508 -0.442 -12.979 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.178 0.090 -13.000 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.770 -2.288 -12.098 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.056 -2.471 -11.781 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.108 -1.586 -9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.134 -0.301 -10.419 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.746 -0.167 -11.675 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.451 -0.137 -8.442 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.481 1.192 -7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.931 1.679 -11.046 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.873 2.212 -9.362 1.00 0.00 H new ATOM 103 N HIS A 42 -4.235 -0.125 -16.337 1.00 0.00 N ATOM 104 CA HIS A 42 -3.778 0.685 -17.503 1.00 0.00 C ATOM 105 C HIS A 42 -4.673 1.898 -17.779 1.00 0.00 C ATOM 106 O HIS A 42 -5.769 2.024 -17.269 1.00 0.00 O ATOM 107 CB HIS A 42 -3.802 -0.299 -18.685 1.00 0.00 C ATOM 108 CG HIS A 42 -5.100 -0.192 -19.453 1.00 0.00 C ATOM 109 ND1 HIS A 42 -6.399 -0.489 -19.114 1.00 0.00 N flip ATOM 110 CD2 HIS A 42 -5.152 0.287 -20.754 1.00 0.00 C flip ATOM 111 CE1 HIS A 42 -7.242 -0.200 -20.184 1.00 0.00 C flip ATOM 112 NE2 HIS A 42 -6.442 0.266 -21.146 1.00 0.00 N flip ATOM 0 H HIS A 42 -5.244 -0.220 -16.223 1.00 0.00 H new ATOM 0 HA HIS A 42 -2.791 1.111 -17.321 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.964 -0.094 -19.351 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.676 -1.317 -18.318 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.311 0.617 -21.346 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -8.314 -0.326 -20.227 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.767 0.569 -22.064 1.00 0.00 H new ATOM 120 N ILE A 43 -4.193 2.776 -18.618 1.00 0.00 N ATOM 121 CA ILE A 43 -4.969 3.986 -18.999 1.00 0.00 C ATOM 122 C ILE A 43 -5.033 4.061 -20.526 1.00 0.00 C ATOM 123 O ILE A 43 -4.029 3.934 -21.203 1.00 0.00 O ATOM 124 CB ILE A 43 -4.182 5.170 -18.434 1.00 0.00 C ATOM 125 CG1 ILE A 43 -4.448 5.293 -16.933 1.00 0.00 C ATOM 126 CG2 ILE A 43 -4.622 6.458 -19.132 1.00 0.00 C ATOM 127 CD1 ILE A 43 -3.156 5.689 -16.215 1.00 0.00 C ATOM 0 H ILE A 43 -3.278 2.702 -19.062 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.990 3.976 -18.617 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.118 5.008 -18.604 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.221 6.039 -16.750 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.819 4.346 -16.540 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.061 7.301 -18.728 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.433 6.375 -20.202 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.687 6.618 -18.963 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.346 5.776 -15.145 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.396 4.927 -16.387 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.804 6.646 -16.600 1.00 0.00 H new ATOM 139 N LEU A 44 -6.202 4.247 -21.076 1.00 0.00 N ATOM 140 CA LEU A 44 -6.324 4.310 -22.561 1.00 0.00 C ATOM 141 C LEU A 44 -6.754 5.712 -23.008 1.00 0.00 C ATOM 142 O LEU A 44 -7.812 6.193 -22.653 1.00 0.00 O ATOM 143 CB LEU A 44 -7.399 3.276 -22.899 1.00 0.00 C ATOM 144 CG LEU A 44 -7.333 2.938 -24.387 1.00 0.00 C ATOM 145 CD1 LEU A 44 -7.867 1.523 -24.615 1.00 0.00 C ATOM 146 CD2 LEU A 44 -8.189 3.930 -25.169 1.00 0.00 C ATOM 0 H LEU A 44 -7.076 4.358 -20.563 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.380 4.105 -23.067 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.251 2.375 -22.304 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.385 3.666 -22.647 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.299 2.996 -24.726 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.819 1.283 -25.677 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.261 0.811 -24.055 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.901 1.465 -24.276 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.144 3.691 -26.232 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.222 3.868 -24.827 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.814 4.941 -25.008 1.00 0.00 H new ATOM 158 N CYS A 45 -5.935 6.369 -23.786 1.00 0.00 N ATOM 159 CA CYS A 45 -6.284 7.740 -24.263 1.00 0.00 C ATOM 160 C CYS A 45 -6.110 7.830 -25.781 1.00 0.00 C ATOM 161 O CYS A 45 -5.336 7.103 -26.369 1.00 0.00 O ATOM 162 CB CYS A 45 -5.288 8.664 -23.559 1.00 0.00 C ATOM 163 SG CYS A 45 -5.699 10.389 -23.924 1.00 0.00 S ATOM 0 H CYS A 45 -5.036 6.014 -24.113 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.318 8.005 -24.043 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.315 8.493 -22.483 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.274 8.443 -23.891 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.853 11.173 -23.324 1.00 0.00 H new ATOM 169 N GLU A 46 -6.821 8.718 -26.424 1.00 0.00 N ATOM 170 CA GLU A 46 -6.685 8.847 -27.904 1.00 0.00 C ATOM 171 C GLU A 46 -5.242 9.210 -28.264 1.00 0.00 C ATOM 172 O GLU A 46 -4.471 9.629 -27.423 1.00 0.00 O ATOM 173 CB GLU A 46 -7.641 9.975 -28.295 1.00 0.00 C ATOM 174 CG GLU A 46 -7.676 10.111 -29.818 1.00 0.00 C ATOM 175 CD GLU A 46 -8.160 8.800 -30.439 1.00 0.00 C ATOM 176 OE1 GLU A 46 -9.016 8.165 -29.844 1.00 0.00 O ATOM 177 OE2 GLU A 46 -7.667 8.451 -31.499 1.00 0.00 O ATOM 0 H GLU A 46 -7.487 9.357 -25.990 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.921 7.920 -28.427 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.641 9.766 -27.915 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.318 10.913 -27.843 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.338 10.928 -30.105 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.683 10.359 -30.194 1.00 0.00 H new ATOM 184 N LYS A 47 -4.865 9.049 -29.503 1.00 0.00 N ATOM 185 CA LYS A 47 -3.467 9.384 -29.903 1.00 0.00 C ATOM 186 C LYS A 47 -3.410 10.782 -30.519 1.00 0.00 C ATOM 187 O LYS A 47 -3.678 10.967 -31.689 1.00 0.00 O ATOM 188 CB LYS A 47 -3.085 8.323 -30.937 1.00 0.00 C ATOM 189 CG LYS A 47 -1.692 8.628 -31.492 1.00 0.00 C ATOM 190 CD LYS A 47 -1.609 8.169 -32.949 1.00 0.00 C ATOM 191 CE LYS A 47 -2.373 9.151 -33.841 1.00 0.00 C ATOM 192 NZ LYS A 47 -2.066 8.721 -35.234 1.00 0.00 N ATOM 0 H LYS A 47 -5.461 8.701 -30.254 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.785 9.388 -29.053 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.097 7.334 -30.480 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.815 8.309 -31.746 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.488 9.697 -31.425 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.933 8.121 -30.896 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.567 8.111 -33.264 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.029 7.168 -33.050 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.444 9.114 -33.643 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.052 10.178 -33.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.554 9.347 -35.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.040 8.773 -35.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.389 7.743 -35.374 1.00 0.00 H new ATOM 206 N HIS A 48 -3.064 11.768 -29.739 1.00 0.00 N ATOM 207 CA HIS A 48 -2.993 13.158 -30.278 1.00 0.00 C ATOM 208 C HIS A 48 -1.675 13.827 -29.865 1.00 0.00 C ATOM 209 O HIS A 48 -1.559 15.036 -29.855 1.00 0.00 O ATOM 210 CB HIS A 48 -4.197 13.903 -29.679 1.00 0.00 C ATOM 211 CG HIS A 48 -4.543 13.343 -28.324 1.00 0.00 C ATOM 212 ND1 HIS A 48 -4.093 13.652 -27.069 1.00 0.00 N flip ATOM 213 CD2 HIS A 48 -5.465 12.322 -28.154 1.00 0.00 C flip ATOM 214 CE1 HIS A 48 -4.722 12.841 -26.129 1.00 0.00 C flip ATOM 215 NE2 HIS A 48 -5.539 12.057 -26.836 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.827 11.673 -28.751 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.023 13.170 -31.368 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.968 14.965 -29.592 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.055 13.815 -30.345 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.023 11.829 -28.936 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.580 12.845 -25.058 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.145 11.345 -26.428 1.00 0.00 H new ATOM 223 N GLY A 49 -0.677 13.049 -29.539 1.00 0.00 N ATOM 224 CA GLY A 49 0.638 13.641 -29.147 1.00 0.00 C ATOM 225 C GLY A 49 0.639 14.016 -27.662 1.00 0.00 C ATOM 226 O GLY A 49 1.254 14.982 -27.259 1.00 0.00 O ATOM 0 H GLY A 49 -0.714 12.030 -29.527 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.438 12.929 -29.348 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.839 14.526 -29.751 1.00 0.00 H new ATOM 230 N LYS A 50 -0.047 13.268 -26.841 1.00 0.00 N ATOM 231 CA LYS A 50 -0.075 13.598 -25.384 1.00 0.00 C ATOM 232 C LYS A 50 0.609 12.490 -24.573 1.00 0.00 C ATOM 233 O LYS A 50 0.419 12.375 -23.378 1.00 0.00 O ATOM 234 CB LYS A 50 -1.560 13.694 -25.036 1.00 0.00 C ATOM 235 CG LYS A 50 -1.732 14.073 -23.564 1.00 0.00 C ATOM 236 CD LYS A 50 -3.206 14.369 -23.285 1.00 0.00 C ATOM 237 CE LYS A 50 -3.349 15.796 -22.749 1.00 0.00 C ATOM 238 NZ LYS A 50 -4.782 15.919 -22.358 1.00 0.00 N ATOM 0 H LYS A 50 -0.587 12.446 -27.112 1.00 0.00 H new ATOM 0 HA LYS A 50 0.457 14.521 -25.155 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.043 14.438 -25.670 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.050 12.741 -25.234 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.385 13.261 -22.925 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.123 14.946 -23.328 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.790 14.252 -24.198 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.600 13.656 -22.561 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.691 15.965 -21.896 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.082 16.531 -23.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.958 16.872 -21.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.384 15.760 -23.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.005 15.211 -21.629 1.00 0.00 H new ATOM 252 N ILE A 51 1.401 11.673 -25.212 1.00 0.00 N ATOM 253 CA ILE A 51 2.092 10.575 -24.474 1.00 0.00 C ATOM 254 C ILE A 51 2.939 11.146 -23.334 1.00 0.00 C ATOM 255 O ILE A 51 2.968 10.613 -22.242 1.00 0.00 O ATOM 256 CB ILE A 51 2.990 9.902 -25.513 1.00 0.00 C ATOM 257 CG1 ILE A 51 2.124 9.278 -26.609 1.00 0.00 C ATOM 258 CG2 ILE A 51 3.821 8.811 -24.837 1.00 0.00 C ATOM 259 CD1 ILE A 51 2.643 9.711 -27.981 1.00 0.00 C ATOM 0 H ILE A 51 1.600 11.717 -26.211 1.00 0.00 H new ATOM 0 HA ILE A 51 1.385 9.877 -24.026 1.00 0.00 H new ATOM 0 HB ILE A 51 3.655 10.645 -25.955 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.144 8.191 -26.528 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.086 9.588 -26.487 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.461 8.331 -25.577 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.438 9.255 -24.056 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.156 8.068 -24.396 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.025 9.266 -28.761 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.600 10.797 -28.060 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.674 9.379 -28.101 1.00 0.00 H new ATOM 271 N MET A 52 3.636 12.220 -23.582 1.00 0.00 N ATOM 272 CA MET A 52 4.493 12.821 -22.518 1.00 0.00 C ATOM 273 C MET A 52 3.637 13.361 -21.368 1.00 0.00 C ATOM 274 O MET A 52 3.918 13.125 -20.210 1.00 0.00 O ATOM 275 CB MET A 52 5.238 13.962 -23.212 1.00 0.00 C ATOM 276 CG MET A 52 6.174 14.643 -22.213 1.00 0.00 C ATOM 277 SD MET A 52 7.243 15.813 -23.089 1.00 0.00 S ATOM 278 CE MET A 52 6.016 17.125 -23.302 1.00 0.00 C ATOM 0 H MET A 52 3.650 12.709 -24.477 1.00 0.00 H new ATOM 0 HA MET A 52 5.172 12.089 -22.081 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.809 13.577 -24.057 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.527 14.685 -23.611 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.594 15.164 -21.451 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.779 13.897 -21.698 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.859 17.307 -24.365 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.075 16.821 -22.843 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.373 18.038 -22.826 1.00 0.00 H new ATOM 288 N GLU A 53 2.600 14.090 -21.675 1.00 0.00 N ATOM 289 CA GLU A 53 1.739 14.648 -20.592 1.00 0.00 C ATOM 290 C GLU A 53 1.143 13.522 -19.742 1.00 0.00 C ATOM 291 O GLU A 53 1.167 13.569 -18.529 1.00 0.00 O ATOM 292 CB GLU A 53 0.636 15.413 -21.322 1.00 0.00 C ATOM 293 CG GLU A 53 1.204 16.717 -21.885 1.00 0.00 C ATOM 294 CD GLU A 53 1.680 17.605 -20.735 1.00 0.00 C ATOM 295 OE1 GLU A 53 1.030 17.603 -19.703 1.00 0.00 O ATOM 296 OE2 GLU A 53 2.687 18.274 -20.906 1.00 0.00 O ATOM 0 H GLU A 53 2.311 14.323 -22.625 1.00 0.00 H new ATOM 0 HA GLU A 53 2.300 15.287 -19.910 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.229 14.803 -22.129 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.186 15.627 -20.639 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.032 16.503 -22.560 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.443 17.236 -22.468 1.00 0.00 H new ATOM 303 N ALA A 54 0.601 12.513 -20.368 1.00 0.00 N ATOM 304 CA ALA A 54 -0.001 11.391 -19.590 1.00 0.00 C ATOM 305 C ALA A 54 1.021 10.809 -18.608 1.00 0.00 C ATOM 306 O ALA A 54 0.818 10.818 -17.408 1.00 0.00 O ATOM 307 CB ALA A 54 -0.391 10.346 -20.635 1.00 0.00 C ATOM 0 H ALA A 54 0.549 12.416 -21.382 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.856 11.718 -18.998 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.842 9.487 -20.139 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.107 10.779 -21.333 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.498 10.026 -21.179 1.00 0.00 H new ATOM 313 N MET A 55 2.116 10.299 -19.103 1.00 0.00 N ATOM 314 CA MET A 55 3.140 9.718 -18.190 1.00 0.00 C ATOM 315 C MET A 55 3.689 10.801 -17.259 1.00 0.00 C ATOM 316 O MET A 55 4.020 10.542 -16.119 1.00 0.00 O ATOM 317 CB MET A 55 4.238 9.176 -19.107 1.00 0.00 C ATOM 318 CG MET A 55 5.318 8.497 -18.263 1.00 0.00 C ATOM 319 SD MET A 55 6.809 9.524 -18.242 1.00 0.00 S ATOM 320 CE MET A 55 6.990 9.699 -20.034 1.00 0.00 C ATOM 0 H MET A 55 2.345 10.260 -20.096 1.00 0.00 H new ATOM 0 HA MET A 55 2.730 8.934 -17.553 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.816 8.465 -19.817 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.674 9.988 -19.690 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.956 8.343 -17.246 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.548 7.513 -18.672 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.046 9.649 -20.300 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.451 8.894 -20.534 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.582 10.660 -20.349 1.00 0.00 H new ATOM 330 N GLU A 56 3.781 12.017 -17.728 1.00 0.00 N ATOM 331 CA GLU A 56 4.300 13.105 -16.851 1.00 0.00 C ATOM 332 C GLU A 56 3.415 13.232 -15.611 1.00 0.00 C ATOM 333 O GLU A 56 3.895 13.321 -14.499 1.00 0.00 O ATOM 334 CB GLU A 56 4.226 14.379 -17.691 1.00 0.00 C ATOM 335 CG GLU A 56 4.863 15.532 -16.913 1.00 0.00 C ATOM 336 CD GLU A 56 5.194 16.678 -17.870 1.00 0.00 C ATOM 337 OE1 GLU A 56 5.576 16.395 -18.993 1.00 0.00 O ATOM 338 OE2 GLU A 56 5.061 17.821 -17.461 1.00 0.00 O ATOM 0 H GLU A 56 3.521 12.302 -18.672 1.00 0.00 H new ATOM 0 HA GLU A 56 5.317 12.910 -16.510 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.744 14.234 -18.639 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.188 14.613 -17.927 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.182 15.879 -16.136 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.769 15.190 -16.413 1.00 0.00 H new ATOM 345 N LYS A 57 2.121 13.236 -15.794 1.00 0.00 N ATOM 346 CA LYS A 57 1.207 13.352 -14.624 1.00 0.00 C ATOM 347 C LYS A 57 1.435 12.177 -13.671 1.00 0.00 C ATOM 348 O LYS A 57 1.556 12.351 -12.475 1.00 0.00 O ATOM 349 CB LYS A 57 -0.204 13.309 -15.212 1.00 0.00 C ATOM 350 CG LYS A 57 -0.510 14.636 -15.911 1.00 0.00 C ATOM 351 CD LYS A 57 -1.025 15.650 -14.885 1.00 0.00 C ATOM 352 CE LYS A 57 -1.454 16.932 -15.605 1.00 0.00 C ATOM 353 NZ LYS A 57 -1.546 17.963 -14.534 1.00 0.00 N ATOM 0 H LYS A 57 1.660 13.164 -16.701 1.00 0.00 H new ATOM 0 HA LYS A 57 1.374 14.265 -14.052 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.289 12.485 -15.921 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.933 13.126 -14.422 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.388 15.019 -16.396 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.255 14.484 -16.692 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.867 15.230 -14.334 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.246 15.873 -14.156 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.729 17.218 -16.367 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.411 16.800 -16.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.546 18.175 -14.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.094 17.605 -13.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.062 18.830 -14.844 1.00 0.00 H new ATOM 367 N LEU A 58 1.503 10.980 -14.192 1.00 0.00 N ATOM 368 CA LEU A 58 1.734 9.797 -13.307 1.00 0.00 C ATOM 369 C LEU A 58 3.200 9.356 -13.378 1.00 0.00 C ATOM 370 O LEU A 58 3.523 8.213 -13.125 1.00 0.00 O ATOM 371 CB LEU A 58 0.799 8.691 -13.820 1.00 0.00 C ATOM 372 CG LEU A 58 1.141 8.311 -15.267 1.00 0.00 C ATOM 373 CD1 LEU A 58 2.411 7.463 -15.301 1.00 0.00 C ATOM 374 CD2 LEU A 58 -0.011 7.493 -15.853 1.00 0.00 C ATOM 0 H LEU A 58 1.409 10.770 -15.186 1.00 0.00 H new ATOM 0 HA LEU A 58 1.526 10.030 -12.263 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.883 7.813 -13.180 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.236 9.029 -13.764 1.00 0.00 H new ATOM 0 HG LEU A 58 1.297 9.220 -15.847 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.645 7.199 -16.332 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.239 8.030 -14.875 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.257 6.554 -14.720 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.224 7.219 -16.881 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.154 6.590 -15.260 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.925 8.087 -15.836 1.00 0.00 H new ATOM 386 N LYS A 59 4.084 10.265 -13.710 1.00 0.00 N ATOM 387 CA LYS A 59 5.539 9.923 -13.793 1.00 0.00 C ATOM 388 C LYS A 59 5.910 8.895 -12.722 1.00 0.00 C ATOM 389 O LYS A 59 6.177 7.747 -13.015 1.00 0.00 O ATOM 390 CB LYS A 59 6.260 11.245 -13.534 1.00 0.00 C ATOM 391 CG LYS A 59 7.744 11.096 -13.878 1.00 0.00 C ATOM 392 CD LYS A 59 8.104 12.046 -15.022 1.00 0.00 C ATOM 393 CE LYS A 59 9.618 12.017 -15.252 1.00 0.00 C ATOM 394 NZ LYS A 59 9.837 12.848 -16.467 1.00 0.00 N ATOM 0 H LYS A 59 3.859 11.236 -13.929 1.00 0.00 H new ATOM 0 HA LYS A 59 5.807 9.485 -14.754 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.815 12.038 -14.135 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.146 11.535 -12.489 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.355 11.317 -13.003 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.959 10.067 -14.165 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.581 11.751 -15.932 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.781 13.059 -14.783 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.156 12.422 -14.394 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.976 10.998 -15.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.853 12.877 -16.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.319 12.435 -17.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.493 13.814 -16.293 1.00 0.00 H new ATOM 408 N SER A 60 5.912 9.295 -11.482 1.00 0.00 N ATOM 409 CA SER A 60 6.243 8.337 -10.392 1.00 0.00 C ATOM 410 C SER A 60 4.956 7.688 -9.888 1.00 0.00 C ATOM 411 O SER A 60 4.866 7.246 -8.760 1.00 0.00 O ATOM 412 CB SER A 60 6.883 9.187 -9.296 1.00 0.00 C ATOM 413 OG SER A 60 8.064 9.794 -9.804 1.00 0.00 O ATOM 0 H SER A 60 5.699 10.244 -11.176 1.00 0.00 H new ATOM 0 HA SER A 60 6.909 7.538 -10.717 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.184 9.952 -8.957 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.121 8.567 -8.431 1.00 0.00 H new ATOM 0 HG SER A 60 8.477 10.342 -9.104 1.00 0.00 H new ATOM 419 N GLY A 61 3.951 7.640 -10.722 1.00 0.00 N ATOM 420 CA GLY A 61 2.659 7.036 -10.299 1.00 0.00 C ATOM 421 C GLY A 61 1.991 7.965 -9.287 1.00 0.00 C ATOM 422 O GLY A 61 1.314 7.529 -8.377 1.00 0.00 O ATOM 0 H GLY A 61 3.972 7.994 -11.678 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.010 6.889 -11.162 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.828 6.054 -9.856 1.00 0.00 H new ATOM 426 N MET A 62 2.188 9.248 -9.435 1.00 0.00 N ATOM 427 CA MET A 62 1.574 10.212 -8.478 1.00 0.00 C ATOM 428 C MET A 62 0.084 10.397 -8.782 1.00 0.00 C ATOM 429 O MET A 62 -0.735 10.474 -7.886 1.00 0.00 O ATOM 430 CB MET A 62 2.335 11.520 -8.703 1.00 0.00 C ATOM 431 CG MET A 62 1.773 12.608 -7.786 1.00 0.00 C ATOM 432 SD MET A 62 2.871 12.828 -6.365 1.00 0.00 S ATOM 433 CE MET A 62 2.290 11.406 -5.407 1.00 0.00 C ATOM 0 H MET A 62 2.747 9.669 -10.177 1.00 0.00 H new ATOM 0 HA MET A 62 1.640 9.868 -7.446 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.396 11.374 -8.502 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.248 11.828 -9.745 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.677 13.546 -8.333 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.774 12.333 -7.448 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.368 11.628 -4.343 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.250 11.198 -5.659 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.902 10.535 -5.641 1.00 0.00 H new ATOM 443 N ARG A 63 -0.273 10.495 -10.034 1.00 0.00 N ATOM 444 CA ARG A 63 -1.708 10.704 -10.383 1.00 0.00 C ATOM 445 C ARG A 63 -2.267 9.538 -11.209 1.00 0.00 C ATOM 446 O ARG A 63 -3.061 9.741 -12.106 1.00 0.00 O ATOM 447 CB ARG A 63 -1.712 11.981 -11.222 1.00 0.00 C ATOM 448 CG ARG A 63 -1.740 13.199 -10.298 1.00 0.00 C ATOM 449 CD ARG A 63 -1.474 14.464 -11.117 1.00 0.00 C ATOM 450 NE ARG A 63 -1.991 15.581 -10.277 1.00 0.00 N ATOM 451 CZ ARG A 63 -1.933 16.810 -10.715 1.00 0.00 C ATOM 452 NH1 ARG A 63 -2.791 17.226 -11.605 1.00 0.00 N ATOM 453 NH2 ARG A 63 -1.018 17.621 -10.261 1.00 0.00 N ATOM 0 H ARG A 63 0.365 10.440 -10.828 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.330 10.771 -9.491 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.827 12.014 -11.858 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.579 11.992 -11.882 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.708 13.271 -9.802 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.988 13.094 -9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.411 14.585 -11.323 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.983 14.425 -12.080 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.391 15.386 -9.359 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.507 16.592 -11.959 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.746 18.186 -11.947 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.348 17.295 -9.564 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.972 18.581 -10.603 1.00 0.00 H new ATOM 467 N PHE A 64 -1.875 8.326 -10.928 1.00 0.00 N ATOM 468 CA PHE A 64 -2.415 7.186 -11.729 1.00 0.00 C ATOM 469 C PHE A 64 -3.938 7.283 -11.815 1.00 0.00 C ATOM 470 O PHE A 64 -4.523 7.137 -12.869 1.00 0.00 O ATOM 471 CB PHE A 64 -2.013 5.914 -10.981 1.00 0.00 C ATOM 472 CG PHE A 64 -2.392 4.717 -11.823 1.00 0.00 C ATOM 473 CD1 PHE A 64 -3.728 4.296 -11.888 1.00 0.00 C ATOM 474 CD2 PHE A 64 -1.413 4.043 -12.558 1.00 0.00 C ATOM 475 CE1 PHE A 64 -4.079 3.198 -12.685 1.00 0.00 C ATOM 476 CE2 PHE A 64 -1.765 2.949 -13.358 1.00 0.00 C ATOM 477 CZ PHE A 64 -3.096 2.525 -13.423 1.00 0.00 C ATOM 0 H PHE A 64 -1.215 8.075 -10.192 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.024 7.192 -12.747 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.941 5.914 -10.785 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.514 5.870 -10.014 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.487 4.818 -11.324 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.384 4.366 -12.509 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.107 2.870 -12.730 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.007 2.431 -13.926 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.366 1.681 -14.040 1.00 0.00 H new ATOM 487 N ASN A 65 -4.584 7.519 -10.707 1.00 0.00 N ATOM 488 CA ASN A 65 -6.070 7.617 -10.712 1.00 0.00 C ATOM 489 C ASN A 65 -6.532 8.811 -11.554 1.00 0.00 C ATOM 490 O ASN A 65 -7.441 8.703 -12.354 1.00 0.00 O ATOM 491 CB ASN A 65 -6.452 7.812 -9.246 1.00 0.00 C ATOM 492 CG ASN A 65 -7.975 7.865 -9.115 1.00 0.00 C ATOM 493 OD1 ASN A 65 -8.621 6.844 -8.987 1.00 0.00 O ATOM 494 ND2 ASN A 65 -8.578 9.021 -9.143 1.00 0.00 N ATOM 0 H ASN A 65 -4.145 7.649 -9.795 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.539 6.734 -11.146 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.053 6.995 -8.644 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.012 8.733 -8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.593 9.069 -9.057 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.034 9.877 -9.250 1.00 0.00 H new ATOM 501 N GLU A 66 -5.920 9.951 -11.379 1.00 0.00 N ATOM 502 CA GLU A 66 -6.334 11.149 -12.167 1.00 0.00 C ATOM 503 C GLU A 66 -6.055 10.931 -13.658 1.00 0.00 C ATOM 504 O GLU A 66 -6.878 11.226 -14.503 1.00 0.00 O ATOM 505 CB GLU A 66 -5.478 12.297 -11.629 1.00 0.00 C ATOM 506 CG GLU A 66 -6.086 13.633 -12.064 1.00 0.00 C ATOM 507 CD GLU A 66 -5.114 14.769 -11.734 1.00 0.00 C ATOM 508 OE1 GLU A 66 -4.406 14.649 -10.748 1.00 0.00 O ATOM 509 OE2 GLU A 66 -5.093 15.739 -12.474 1.00 0.00 O ATOM 0 H GLU A 66 -5.152 10.105 -10.726 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.400 11.353 -12.069 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.424 12.246 -10.541 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.458 12.210 -12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.295 13.618 -13.134 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.037 13.795 -11.556 1.00 0.00 H new ATOM 516 N VAL A 67 -4.900 10.425 -13.986 1.00 0.00 N ATOM 517 CA VAL A 67 -4.563 10.196 -15.420 1.00 0.00 C ATOM 518 C VAL A 67 -5.627 9.327 -16.095 1.00 0.00 C ATOM 519 O VAL A 67 -6.027 9.577 -17.209 1.00 0.00 O ATOM 520 CB VAL A 67 -3.214 9.484 -15.397 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.857 9.006 -16.804 1.00 0.00 C ATOM 522 CG2 VAL A 67 -2.146 10.460 -14.907 1.00 0.00 C ATOM 0 H VAL A 67 -4.172 10.159 -13.322 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.524 11.127 -15.986 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.267 8.624 -14.730 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.893 8.498 -16.782 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.622 8.316 -17.159 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.801 9.862 -17.476 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.178 9.960 -14.887 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.099 11.316 -15.580 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.398 10.802 -13.903 1.00 0.00 H new ATOM 532 N ALA A 68 -6.094 8.308 -15.438 1.00 0.00 N ATOM 533 CA ALA A 68 -7.134 7.450 -16.072 1.00 0.00 C ATOM 534 C ALA A 68 -8.409 8.269 -16.299 1.00 0.00 C ATOM 535 O ALA A 68 -8.883 8.420 -17.411 1.00 0.00 O ATOM 536 CB ALA A 68 -7.387 6.327 -15.066 1.00 0.00 C ATOM 0 H ALA A 68 -5.807 8.031 -14.499 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.824 7.060 -17.042 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.144 5.649 -15.460 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.462 5.777 -14.894 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.736 6.753 -14.125 1.00 0.00 H new ATOM 542 N ALA A 69 -8.962 8.793 -15.243 1.00 0.00 N ATOM 543 CA ALA A 69 -10.208 9.601 -15.356 1.00 0.00 C ATOM 544 C ALA A 69 -10.180 10.517 -16.586 1.00 0.00 C ATOM 545 O ALA A 69 -11.181 10.693 -17.251 1.00 0.00 O ATOM 546 CB ALA A 69 -10.245 10.434 -14.076 1.00 0.00 C ATOM 0 H ALA A 69 -8.600 8.695 -14.294 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.086 8.967 -15.474 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.136 11.062 -14.076 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.269 9.771 -13.211 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.357 11.064 -14.026 1.00 0.00 H new ATOM 552 N GLN A 70 -9.062 11.123 -16.889 1.00 0.00 N ATOM 553 CA GLN A 70 -9.031 12.040 -18.067 1.00 0.00 C ATOM 554 C GLN A 70 -8.398 11.378 -19.292 1.00 0.00 C ATOM 555 O GLN A 70 -8.741 11.693 -20.414 1.00 0.00 O ATOM 556 CB GLN A 70 -8.183 13.235 -17.629 1.00 0.00 C ATOM 557 CG GLN A 70 -8.209 14.304 -18.722 1.00 0.00 C ATOM 558 CD GLN A 70 -6.829 14.402 -19.364 1.00 0.00 C ATOM 559 OE1 GLN A 70 -6.442 13.474 -20.195 1.00 0.00 O flip ATOM 560 NE2 GLN A 70 -6.090 15.333 -19.109 1.00 0.00 N flip ATOM 0 H GLN A 70 -8.182 11.026 -16.382 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.042 12.323 -18.360 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.567 13.645 -16.695 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.158 12.917 -17.440 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.956 14.053 -19.475 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.495 15.267 -18.298 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.391 16.060 -18.459 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.169 15.387 -19.545 1.00 0.00 H new ATOM 569 N TYR A 71 -7.478 10.473 -19.108 1.00 0.00 N ATOM 570 CA TYR A 71 -6.842 9.825 -20.294 1.00 0.00 C ATOM 571 C TYR A 71 -7.457 8.448 -20.527 1.00 0.00 C ATOM 572 O TYR A 71 -6.818 7.550 -21.036 1.00 0.00 O ATOM 573 CB TYR A 71 -5.355 9.687 -19.954 1.00 0.00 C ATOM 574 CG TYR A 71 -4.732 11.045 -19.720 1.00 0.00 C ATOM 575 CD1 TYR A 71 -5.108 11.818 -18.613 1.00 0.00 C ATOM 576 CD2 TYR A 71 -3.759 11.525 -20.607 1.00 0.00 C ATOM 577 CE1 TYR A 71 -4.514 13.066 -18.395 1.00 0.00 C ATOM 578 CE2 TYR A 71 -3.167 12.775 -20.389 1.00 0.00 C ATOM 579 CZ TYR A 71 -3.544 13.546 -19.283 1.00 0.00 C ATOM 580 OH TYR A 71 -2.959 14.776 -19.066 1.00 0.00 O ATOM 0 H TYR A 71 -7.140 10.155 -18.200 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.991 10.412 -21.201 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.236 9.069 -19.064 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.837 9.179 -20.767 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.857 11.450 -17.927 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.466 10.930 -21.459 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.804 13.660 -17.541 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.419 13.145 -21.075 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.307 14.958 -19.774 1.00 0.00 H new ATOM 590 N SER A 72 -8.687 8.270 -20.142 1.00 0.00 N ATOM 591 CA SER A 72 -9.333 6.944 -20.326 1.00 0.00 C ATOM 592 C SER A 72 -10.516 7.025 -21.300 1.00 0.00 C ATOM 593 O SER A 72 -11.456 7.768 -21.092 1.00 0.00 O ATOM 594 CB SER A 72 -9.813 6.582 -18.929 1.00 0.00 C ATOM 595 OG SER A 72 -10.517 5.347 -18.975 1.00 0.00 O ATOM 0 H SER A 72 -9.272 8.984 -19.708 1.00 0.00 H new ATOM 0 HA SER A 72 -8.653 6.206 -20.751 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.964 6.504 -18.250 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.461 7.368 -18.540 1.00 0.00 H new ATOM 0 HG SER A 72 -10.149 4.787 -19.690 1.00 0.00 H new ATOM 601 N GLU A 73 -10.481 6.243 -22.346 1.00 0.00 N ATOM 602 CA GLU A 73 -11.607 6.239 -23.326 1.00 0.00 C ATOM 603 C GLU A 73 -12.486 5.009 -23.072 1.00 0.00 C ATOM 604 O GLU A 73 -13.553 4.861 -23.635 1.00 0.00 O ATOM 605 CB GLU A 73 -10.940 6.159 -24.702 1.00 0.00 C ATOM 606 CG GLU A 73 -12.003 6.249 -25.801 1.00 0.00 C ATOM 607 CD GLU A 73 -11.327 6.536 -27.143 1.00 0.00 C ATOM 608 OE1 GLU A 73 -10.184 6.963 -27.129 1.00 0.00 O ATOM 609 OE2 GLU A 73 -11.963 6.323 -28.163 1.00 0.00 O ATOM 0 H GLU A 73 -9.717 5.604 -22.565 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.244 7.120 -23.247 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.219 6.969 -24.814 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.387 5.224 -24.794 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.564 5.316 -25.856 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.718 7.037 -25.566 1.00 0.00 H new ATOM 616 N ASP A 74 -12.038 4.133 -22.212 1.00 0.00 N ATOM 617 CA ASP A 74 -12.827 2.912 -21.889 1.00 0.00 C ATOM 618 C ASP A 74 -13.402 3.048 -20.479 1.00 0.00 C ATOM 619 O ASP A 74 -13.551 2.083 -19.763 1.00 0.00 O ATOM 620 CB ASP A 74 -11.813 1.767 -21.953 1.00 0.00 C ATOM 621 CG ASP A 74 -10.669 2.046 -20.976 1.00 0.00 C ATOM 622 OD1 ASP A 74 -10.804 2.963 -20.183 1.00 0.00 O ATOM 623 OD2 ASP A 74 -9.677 1.337 -21.037 1.00 0.00 O ATOM 0 H ASP A 74 -11.150 4.214 -21.716 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.663 2.747 -22.569 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.297 0.823 -21.703 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.424 1.667 -22.966 1.00 0.00 H new ATOM 628 N LYS A 75 -13.716 4.247 -20.073 1.00 0.00 N ATOM 629 CA LYS A 75 -14.271 4.453 -18.704 1.00 0.00 C ATOM 630 C LYS A 75 -15.578 3.672 -18.529 1.00 0.00 C ATOM 631 O LYS A 75 -15.859 3.141 -17.474 1.00 0.00 O ATOM 632 CB LYS A 75 -14.527 5.957 -18.609 1.00 0.00 C ATOM 633 CG LYS A 75 -15.576 6.359 -19.646 1.00 0.00 C ATOM 634 CD LYS A 75 -15.576 7.878 -19.819 1.00 0.00 C ATOM 635 CE LYS A 75 -15.923 8.223 -21.270 1.00 0.00 C ATOM 636 NZ LYS A 75 -17.317 7.730 -21.467 1.00 0.00 N ATOM 0 H LYS A 75 -13.612 5.095 -20.630 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.592 4.101 -17.927 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.871 6.216 -17.608 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.601 6.506 -18.780 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.363 5.875 -20.599 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.562 6.020 -19.330 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.300 8.332 -19.142 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.598 8.285 -19.560 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.857 9.297 -21.446 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.234 7.743 -21.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.754 8.235 -22.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.299 6.710 -21.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.871 7.901 -20.603 1.00 0.00 H new ATOM 650 N ALA A 76 -16.381 3.602 -19.555 1.00 0.00 N ATOM 651 CA ALA A 76 -17.669 2.857 -19.445 1.00 0.00 C ATOM 652 C ALA A 76 -17.405 1.367 -19.213 1.00 0.00 C ATOM 653 O ALA A 76 -17.968 0.753 -18.329 1.00 0.00 O ATOM 654 CB ALA A 76 -18.361 3.072 -20.793 1.00 0.00 C ATOM 0 H ALA A 76 -16.202 4.028 -20.464 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.276 3.204 -18.609 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -19.320 2.554 -20.796 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.523 4.138 -20.953 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -17.733 2.677 -21.592 1.00 0.00 H new ATOM 660 N ARG A 77 -16.556 0.782 -20.009 1.00 0.00 N ATOM 661 CA ARG A 77 -16.256 -0.672 -19.847 1.00 0.00 C ATOM 662 C ARG A 77 -15.117 -0.885 -18.838 1.00 0.00 C ATOM 663 O ARG A 77 -15.214 -1.704 -17.947 1.00 0.00 O ATOM 664 CB ARG A 77 -15.855 -1.157 -21.247 1.00 0.00 C ATOM 665 CG ARG A 77 -14.597 -0.429 -21.730 1.00 0.00 C ATOM 666 CD ARG A 77 -14.529 -0.495 -23.257 1.00 0.00 C ATOM 667 NE ARG A 77 -15.684 0.323 -23.722 1.00 0.00 N ATOM 668 CZ ARG A 77 -15.837 0.577 -24.992 1.00 0.00 C ATOM 669 NH1 ARG A 77 -15.347 -0.239 -25.886 1.00 0.00 N ATOM 670 NH2 ARG A 77 -16.477 1.649 -25.370 1.00 0.00 N ATOM 0 H ARG A 77 -16.055 1.246 -20.767 1.00 0.00 H new ATOM 0 HA ARG A 77 -17.111 -1.226 -19.459 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.675 -2.232 -21.228 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.673 -0.983 -21.946 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -14.615 0.610 -21.400 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.709 -0.887 -21.295 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -13.585 -0.096 -23.629 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.603 -1.523 -23.613 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.356 0.685 -23.046 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -14.844 -1.076 -25.591 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.467 -0.039 -26.879 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -16.858 2.288 -24.672 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.597 1.848 -26.363 1.00 0.00 H new ATOM 684 N GLN A 78 -14.047 -0.153 -18.970 1.00 0.00 N ATOM 685 CA GLN A 78 -12.904 -0.305 -18.020 1.00 0.00 C ATOM 686 C GLN A 78 -12.347 1.078 -17.654 1.00 0.00 C ATOM 687 O GLN A 78 -13.078 1.959 -17.244 1.00 0.00 O ATOM 688 CB GLN A 78 -11.858 -1.123 -18.782 1.00 0.00 C ATOM 689 CG GLN A 78 -12.464 -2.448 -19.245 1.00 0.00 C ATOM 690 CD GLN A 78 -11.532 -3.095 -20.270 1.00 0.00 C ATOM 691 OE1 GLN A 78 -11.140 -4.234 -20.118 1.00 0.00 O ATOM 692 NE2 GLN A 78 -11.155 -2.408 -21.315 1.00 0.00 N ATOM 0 H GLN A 78 -13.912 0.548 -19.698 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.196 -0.792 -17.089 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.499 -0.558 -19.642 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.996 -1.312 -18.142 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -12.607 -3.114 -18.394 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.447 -2.278 -19.685 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -11.485 -1.451 -21.442 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.531 -2.828 -22.004 1.00 0.00 H new ATOM 701 N GLY A 79 -11.062 1.285 -17.806 1.00 0.00 N ATOM 702 CA GLY A 79 -10.481 2.617 -17.475 1.00 0.00 C ATOM 703 C GLY A 79 -9.810 2.577 -16.101 1.00 0.00 C ATOM 704 O GLY A 79 -9.687 3.587 -15.436 1.00 0.00 O ATOM 0 H GLY A 79 -10.395 0.591 -18.144 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.753 2.903 -18.234 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.264 3.375 -17.483 1.00 0.00 H new ATOM 708 N GLY A 80 -9.371 1.428 -15.665 1.00 0.00 N ATOM 709 CA GLY A 80 -8.710 1.355 -14.332 1.00 0.00 C ATOM 710 C GLY A 80 -7.903 0.061 -14.218 1.00 0.00 C ATOM 711 O GLY A 80 -7.189 -0.323 -15.123 1.00 0.00 O ATOM 0 H GLY A 80 -9.440 0.544 -16.169 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.055 2.215 -14.194 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.460 1.396 -13.542 1.00 0.00 H new ATOM 715 N ASP A 81 -8.010 -0.613 -13.105 1.00 0.00 N ATOM 716 CA ASP A 81 -7.250 -1.882 -12.914 1.00 0.00 C ATOM 717 C ASP A 81 -7.876 -3.007 -13.739 1.00 0.00 C ATOM 718 O ASP A 81 -9.069 -3.029 -13.972 1.00 0.00 O ATOM 719 CB ASP A 81 -7.372 -2.188 -11.419 1.00 0.00 C ATOM 720 CG ASP A 81 -6.510 -3.404 -11.059 1.00 0.00 C ATOM 721 OD1 ASP A 81 -6.141 -4.137 -11.959 1.00 0.00 O ATOM 722 OD2 ASP A 81 -6.236 -3.580 -9.883 1.00 0.00 O ATOM 0 H ASP A 81 -8.594 -0.338 -12.316 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.212 -1.794 -13.235 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.056 -1.323 -10.836 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.414 -2.382 -11.163 1.00 0.00 H new ATOM 727 N LEU A 82 -7.082 -3.947 -14.167 1.00 0.00 N ATOM 728 CA LEU A 82 -7.628 -5.082 -14.957 1.00 0.00 C ATOM 729 C LEU A 82 -7.777 -6.297 -14.042 1.00 0.00 C ATOM 730 O LEU A 82 -8.454 -7.255 -14.361 1.00 0.00 O ATOM 731 CB LEU A 82 -6.581 -5.345 -16.037 1.00 0.00 C ATOM 732 CG LEU A 82 -6.634 -4.242 -17.097 1.00 0.00 C ATOM 733 CD1 LEU A 82 -6.296 -2.892 -16.459 1.00 0.00 C ATOM 734 CD2 LEU A 82 -5.613 -4.548 -18.194 1.00 0.00 C ATOM 0 H LEU A 82 -6.076 -3.978 -14.003 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.606 -4.873 -15.390 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.588 -5.384 -15.590 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.760 -6.315 -16.500 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.636 -4.200 -17.523 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.335 -2.111 -17.218 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.018 -2.670 -15.673 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.294 -2.932 -16.031 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.647 -3.765 -18.951 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.614 -4.590 -17.760 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.849 -5.508 -18.653 1.00 0.00 H new ATOM 746 N GLY A 83 -7.147 -6.256 -12.898 1.00 0.00 N ATOM 747 CA GLY A 83 -7.243 -7.396 -11.948 1.00 0.00 C ATOM 748 C GLY A 83 -6.249 -8.484 -12.348 1.00 0.00 C ATOM 749 O GLY A 83 -5.167 -8.204 -12.835 1.00 0.00 O ATOM 0 H GLY A 83 -6.568 -5.478 -12.582 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.035 -7.055 -10.934 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.256 -7.798 -11.948 1.00 0.00 H new ATOM 753 N TRP A 84 -6.611 -9.723 -12.148 1.00 0.00 N ATOM 754 CA TRP A 84 -5.698 -10.841 -12.514 1.00 0.00 C ATOM 755 C TRP A 84 -6.242 -11.586 -13.734 1.00 0.00 C ATOM 756 O TRP A 84 -7.411 -11.910 -13.804 1.00 0.00 O ATOM 757 CB TRP A 84 -5.675 -11.754 -11.289 1.00 0.00 C ATOM 758 CG TRP A 84 -4.843 -11.121 -10.223 1.00 0.00 C ATOM 759 CD1 TRP A 84 -3.569 -11.461 -9.925 1.00 0.00 C ATOM 760 CD2 TRP A 84 -5.202 -10.043 -9.312 1.00 0.00 C ATOM 761 NE1 TRP A 84 -3.123 -10.661 -8.889 1.00 0.00 N ATOM 762 CE2 TRP A 84 -4.094 -9.771 -8.477 1.00 0.00 C ATOM 763 CE3 TRP A 84 -6.372 -9.282 -9.133 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -4.144 -8.778 -7.498 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -6.426 -8.283 -8.148 1.00 0.00 C ATOM 766 CH2 TRP A 84 -5.313 -8.031 -7.333 1.00 0.00 C ATOM 0 H TRP A 84 -7.504 -10.008 -11.745 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.699 -10.491 -12.776 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -6.689 -11.921 -10.925 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.267 -12.729 -11.555 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.993 -12.232 -10.416 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -2.191 -10.721 -8.480 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -7.234 -9.468 -9.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.285 -8.588 -6.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -7.329 -7.706 -8.017 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -5.359 -7.260 -6.578 1.00 0.00 H new ATOM 777 N MET A 85 -5.407 -11.856 -14.698 1.00 0.00 N ATOM 778 CA MET A 85 -5.884 -12.574 -15.914 1.00 0.00 C ATOM 779 C MET A 85 -4.830 -13.578 -16.389 1.00 0.00 C ATOM 780 O MET A 85 -3.652 -13.421 -16.138 1.00 0.00 O ATOM 781 CB MET A 85 -6.090 -11.477 -16.959 1.00 0.00 C ATOM 782 CG MET A 85 -4.768 -10.743 -17.191 1.00 0.00 C ATOM 783 SD MET A 85 -5.015 -9.418 -18.399 1.00 0.00 S ATOM 784 CE MET A 85 -5.990 -8.327 -17.336 1.00 0.00 C ATOM 0 H MET A 85 -4.417 -11.611 -14.697 1.00 0.00 H new ATOM 0 HA MET A 85 -6.796 -13.141 -15.728 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.447 -11.911 -17.893 1.00 0.00 H new ATOM 0 HB3 MET A 85 -6.854 -10.776 -16.621 1.00 0.00 H new ATOM 0 HG2 MET A 85 -4.400 -10.329 -16.252 1.00 0.00 H new ATOM 0 HG3 MET A 85 -4.011 -11.440 -17.550 1.00 0.00 H new ATOM 0 HE1 MET A 85 -5.639 -7.301 -17.448 1.00 0.00 H new ATOM 0 HE2 MET A 85 -7.040 -8.385 -17.621 1.00 0.00 H new ATOM 0 HE3 MET A 85 -5.879 -8.637 -16.297 1.00 0.00 H new ATOM 794 N THR A 86 -5.247 -14.608 -17.075 1.00 0.00 N ATOM 795 CA THR A 86 -4.269 -15.621 -17.565 1.00 0.00 C ATOM 796 C THR A 86 -4.240 -15.637 -19.097 1.00 0.00 C ATOM 797 O THR A 86 -3.249 -15.296 -19.711 1.00 0.00 O ATOM 798 CB THR A 86 -4.780 -16.959 -17.029 1.00 0.00 C ATOM 799 OG1 THR A 86 -5.989 -17.305 -17.694 1.00 0.00 O ATOM 800 CG2 THR A 86 -5.034 -16.847 -15.525 1.00 0.00 C ATOM 0 H THR A 86 -6.221 -14.791 -17.317 1.00 0.00 H new ATOM 0 HA THR A 86 -3.254 -15.406 -17.230 1.00 0.00 H new ATOM 0 HB THR A 86 -4.033 -17.732 -17.210 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.316 -18.163 -17.352 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.398 -17.802 -15.145 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.105 -16.585 -15.018 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.780 -16.074 -15.339 1.00 0.00 H new ATOM 808 N ARG A 87 -5.318 -16.038 -19.717 1.00 0.00 N ATOM 809 CA ARG A 87 -5.345 -16.082 -21.210 1.00 0.00 C ATOM 810 C ARG A 87 -6.158 -14.911 -21.772 1.00 0.00 C ATOM 811 O ARG A 87 -6.869 -15.051 -22.747 1.00 0.00 O ATOM 812 CB ARG A 87 -6.015 -17.414 -21.549 1.00 0.00 C ATOM 813 CG ARG A 87 -5.111 -18.566 -21.104 1.00 0.00 C ATOM 814 CD ARG A 87 -4.318 -19.090 -22.303 1.00 0.00 C ATOM 815 NE ARG A 87 -4.787 -20.491 -22.497 1.00 0.00 N ATOM 816 CZ ARG A 87 -4.110 -21.485 -21.987 1.00 0.00 C ATOM 817 NH1 ARG A 87 -2.869 -21.681 -22.342 1.00 0.00 N ATOM 818 NH2 ARG A 87 -4.676 -22.284 -21.125 1.00 0.00 N ATOM 0 H ARG A 87 -6.178 -16.336 -19.257 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.347 -16.001 -21.641 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.983 -17.484 -21.052 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.202 -17.477 -22.621 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.429 -18.226 -20.325 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.712 -19.368 -20.674 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.502 -18.486 -23.192 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.246 -19.056 -22.111 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.638 -20.674 -23.029 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.427 -21.058 -23.018 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.341 -22.457 -21.943 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.646 -22.132 -20.850 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.148 -23.060 -20.726 1.00 0.00 H new ATOM 832 N GLY A 88 -6.057 -13.757 -21.170 1.00 0.00 N ATOM 833 CA GLY A 88 -6.823 -12.580 -21.675 1.00 0.00 C ATOM 834 C GLY A 88 -6.088 -11.949 -22.855 1.00 0.00 C ATOM 835 O GLY A 88 -5.176 -11.165 -22.685 1.00 0.00 O ATOM 0 H GLY A 88 -5.477 -13.578 -20.350 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.822 -12.890 -21.981 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.947 -11.847 -20.878 1.00 0.00 H new ATOM 839 N SER A 89 -6.484 -12.280 -24.052 1.00 0.00 N ATOM 840 CA SER A 89 -5.816 -11.694 -25.246 1.00 0.00 C ATOM 841 C SER A 89 -6.679 -10.574 -25.829 1.00 0.00 C ATOM 842 O SER A 89 -7.767 -10.803 -26.318 1.00 0.00 O ATOM 843 CB SER A 89 -5.689 -12.847 -26.241 1.00 0.00 C ATOM 844 OG SER A 89 -4.935 -12.415 -27.367 1.00 0.00 O ATOM 0 H SER A 89 -7.242 -12.932 -24.255 1.00 0.00 H new ATOM 0 HA SER A 89 -4.845 -11.260 -25.006 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.201 -13.699 -25.768 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.677 -13.180 -26.557 1.00 0.00 H new ATOM 0 HG SER A 89 -4.036 -12.153 -27.078 1.00 0.00 H new ATOM 850 N MET A 90 -6.196 -9.367 -25.790 1.00 0.00 N ATOM 851 CA MET A 90 -6.986 -8.233 -26.353 1.00 0.00 C ATOM 852 C MET A 90 -6.465 -7.871 -27.749 1.00 0.00 C ATOM 853 O MET A 90 -6.695 -8.583 -28.708 1.00 0.00 O ATOM 854 CB MET A 90 -6.785 -7.072 -25.374 1.00 0.00 C ATOM 855 CG MET A 90 -7.431 -7.407 -24.030 1.00 0.00 C ATOM 856 SD MET A 90 -9.214 -7.620 -24.253 1.00 0.00 S ATOM 857 CE MET A 90 -9.321 -9.298 -23.588 1.00 0.00 C ATOM 0 H MET A 90 -5.291 -9.113 -25.394 1.00 0.00 H new ATOM 0 HA MET A 90 -8.042 -8.480 -26.465 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.721 -6.880 -25.238 1.00 0.00 H new ATOM 0 HB3 MET A 90 -7.224 -6.161 -25.781 1.00 0.00 H new ATOM 0 HG2 MET A 90 -6.994 -8.318 -23.621 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.236 -6.610 -23.312 1.00 0.00 H new ATOM 0 HE1 MET A 90 -10.329 -9.478 -23.215 1.00 0.00 H new ATOM 0 HE2 MET A 90 -9.092 -10.017 -24.375 1.00 0.00 H new ATOM 0 HE3 MET A 90 -8.607 -9.412 -22.773 1.00 0.00 H new ATOM 867 N VAL A 91 -5.769 -6.772 -27.880 1.00 0.00 N ATOM 868 CA VAL A 91 -5.245 -6.373 -29.217 1.00 0.00 C ATOM 869 C VAL A 91 -4.223 -7.399 -29.718 1.00 0.00 C ATOM 870 O VAL A 91 -4.318 -7.892 -30.825 1.00 0.00 O ATOM 871 CB VAL A 91 -4.577 -5.020 -28.981 1.00 0.00 C ATOM 872 CG1 VAL A 91 -3.857 -4.572 -30.252 1.00 0.00 C ATOM 873 CG2 VAL A 91 -5.643 -3.988 -28.606 1.00 0.00 C ATOM 0 H VAL A 91 -5.541 -6.134 -27.117 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.029 -6.319 -29.972 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.853 -5.109 -28.171 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.382 -3.606 -30.080 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.098 -5.308 -30.519 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.577 -4.482 -31.065 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.170 -3.021 -28.437 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.366 -3.901 -29.417 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.153 -4.306 -27.697 1.00 0.00 H new ATOM 883 N GLY A 92 -3.248 -7.725 -28.913 1.00 0.00 N ATOM 884 CA GLY A 92 -2.222 -8.719 -29.346 1.00 0.00 C ATOM 885 C GLY A 92 -0.855 -8.311 -28.792 1.00 0.00 C ATOM 886 O GLY A 92 -0.301 -8.984 -27.943 1.00 0.00 O ATOM 0 H GLY A 92 -3.117 -7.347 -27.975 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.489 -9.714 -28.989 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.185 -8.770 -30.434 1.00 0.00 H new ATOM 890 N PRO A 93 -0.361 -7.210 -29.291 1.00 0.00 N ATOM 891 CA PRO A 93 0.953 -6.689 -28.838 1.00 0.00 C ATOM 892 C PRO A 93 0.831 -6.163 -27.410 1.00 0.00 C ATOM 893 O PRO A 93 1.790 -6.109 -26.667 1.00 0.00 O ATOM 894 CB PRO A 93 1.244 -5.552 -29.814 1.00 0.00 C ATOM 895 CG PRO A 93 -0.100 -5.122 -30.306 1.00 0.00 C ATOM 896 CD PRO A 93 -0.972 -6.350 -30.310 1.00 0.00 C ATOM 0 HA PRO A 93 1.742 -7.441 -28.829 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.767 -4.732 -29.322 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.878 -5.887 -30.635 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.520 -4.351 -29.660 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.028 -4.695 -31.306 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.006 -6.108 -30.063 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.982 -6.832 -31.288 1.00 0.00 H new ATOM 904 N PHE A 94 -0.352 -5.777 -27.023 1.00 0.00 N ATOM 905 CA PHE A 94 -0.556 -5.257 -25.645 1.00 0.00 C ATOM 906 C PHE A 94 -0.430 -6.406 -24.639 1.00 0.00 C ATOM 907 O PHE A 94 0.048 -6.231 -23.535 1.00 0.00 O ATOM 908 CB PHE A 94 -1.976 -4.689 -25.653 1.00 0.00 C ATOM 909 CG PHE A 94 -2.226 -3.933 -24.375 1.00 0.00 C ATOM 910 CD1 PHE A 94 -1.602 -2.698 -24.157 1.00 0.00 C ATOM 911 CD2 PHE A 94 -3.084 -4.463 -23.404 1.00 0.00 C ATOM 912 CE1 PHE A 94 -1.836 -1.995 -22.970 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.318 -3.761 -22.217 1.00 0.00 C ATOM 914 CZ PHE A 94 -2.695 -2.527 -22.000 1.00 0.00 C ATOM 0 H PHE A 94 -1.189 -5.800 -27.605 1.00 0.00 H new ATOM 0 HA PHE A 94 0.178 -4.503 -25.360 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.109 -4.029 -26.510 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.701 -5.496 -25.757 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.940 -2.288 -24.905 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -3.566 -5.415 -23.572 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.355 -1.043 -22.802 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.979 -4.171 -21.468 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.877 -1.984 -21.084 1.00 0.00 H new ATOM 924 N GLN A 95 -0.849 -7.582 -25.023 1.00 0.00 N ATOM 925 CA GLN A 95 -0.754 -8.755 -24.104 1.00 0.00 C ATOM 926 C GLN A 95 0.703 -9.210 -23.978 1.00 0.00 C ATOM 927 O GLN A 95 1.242 -9.310 -22.893 1.00 0.00 O ATOM 928 CB GLN A 95 -1.591 -9.844 -24.777 1.00 0.00 C ATOM 929 CG GLN A 95 -1.724 -11.051 -23.847 1.00 0.00 C ATOM 930 CD GLN A 95 -2.682 -12.066 -24.476 1.00 0.00 C ATOM 931 OE1 GLN A 95 -2.953 -12.007 -25.659 1.00 0.00 O ATOM 932 NE2 GLN A 95 -3.210 -12.998 -23.733 1.00 0.00 N ATOM 0 H GLN A 95 -1.255 -7.782 -25.937 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.106 -8.524 -23.098 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.579 -9.454 -25.024 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.124 -10.146 -25.714 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.748 -11.508 -23.682 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.097 -10.735 -22.873 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.983 -13.048 -22.740 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.850 -13.677 -24.145 1.00 0.00 H new ATOM 941 N GLU A 96 1.345 -9.490 -25.082 1.00 0.00 N ATOM 942 CA GLU A 96 2.766 -9.943 -25.025 1.00 0.00 C ATOM 943 C GLU A 96 3.583 -9.021 -24.114 1.00 0.00 C ATOM 944 O GLU A 96 4.129 -9.443 -23.116 1.00 0.00 O ATOM 945 CB GLU A 96 3.271 -9.846 -26.466 1.00 0.00 C ATOM 946 CG GLU A 96 4.620 -10.559 -26.591 1.00 0.00 C ATOM 947 CD GLU A 96 4.438 -12.048 -26.301 1.00 0.00 C ATOM 948 OE1 GLU A 96 3.427 -12.591 -26.713 1.00 0.00 O ATOM 949 OE2 GLU A 96 5.312 -12.621 -25.672 1.00 0.00 O ATOM 0 H GLU A 96 0.947 -9.425 -26.019 1.00 0.00 H new ATOM 0 HA GLU A 96 2.858 -10.952 -24.623 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.547 -10.295 -27.146 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.374 -8.800 -26.756 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.026 -10.420 -27.593 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.338 -10.127 -25.894 1.00 0.00 H new ATOM 956 N ALA A 97 3.677 -7.768 -24.462 1.00 0.00 N ATOM 957 CA ALA A 97 4.470 -6.810 -23.634 1.00 0.00 C ATOM 958 C ALA A 97 3.891 -6.676 -22.220 1.00 0.00 C ATOM 959 O ALA A 97 4.517 -7.043 -21.244 1.00 0.00 O ATOM 960 CB ALA A 97 4.359 -5.475 -24.376 1.00 0.00 C ATOM 0 H ALA A 97 3.237 -7.362 -25.288 1.00 0.00 H new ATOM 0 HA ALA A 97 5.500 -7.144 -23.511 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.916 -4.710 -23.834 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.771 -5.581 -25.380 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.311 -5.182 -24.443 1.00 0.00 H new ATOM 966 N ALA A 98 2.712 -6.127 -22.105 1.00 0.00 N ATOM 967 CA ALA A 98 2.093 -5.929 -20.758 1.00 0.00 C ATOM 968 C ALA A 98 2.028 -7.229 -19.955 1.00 0.00 C ATOM 969 O ALA A 98 2.625 -7.341 -18.901 1.00 0.00 O ATOM 970 CB ALA A 98 0.677 -5.435 -21.050 1.00 0.00 C ATOM 0 H ALA A 98 2.146 -5.804 -22.890 1.00 0.00 H new ATOM 0 HA ALA A 98 2.680 -5.233 -20.159 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.150 -5.264 -20.111 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.726 -4.503 -21.614 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.143 -6.185 -21.634 1.00 0.00 H new ATOM 976 N PHE A 99 1.291 -8.201 -20.426 1.00 0.00 N ATOM 977 CA PHE A 99 1.176 -9.477 -19.664 1.00 0.00 C ATOM 978 C PHE A 99 2.540 -9.866 -19.115 1.00 0.00 C ATOM 979 O PHE A 99 2.677 -10.264 -17.974 1.00 0.00 O ATOM 980 CB PHE A 99 0.686 -10.517 -20.664 1.00 0.00 C ATOM 981 CG PHE A 99 0.256 -11.744 -19.904 1.00 0.00 C ATOM 982 CD1 PHE A 99 1.219 -12.605 -19.368 1.00 0.00 C ATOM 983 CD2 PHE A 99 -1.103 -12.009 -19.723 1.00 0.00 C ATOM 984 CE1 PHE A 99 0.821 -13.735 -18.649 1.00 0.00 C ATOM 985 CE2 PHE A 99 -1.504 -13.141 -19.006 1.00 0.00 C ATOM 986 CZ PHE A 99 -0.541 -14.005 -18.468 1.00 0.00 C ATOM 0 H PHE A 99 0.767 -8.166 -21.300 1.00 0.00 H new ATOM 0 HA PHE A 99 0.493 -9.391 -18.819 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.146 -10.121 -21.246 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.478 -10.767 -21.370 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.269 -12.397 -19.510 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.844 -11.341 -20.136 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.564 -14.400 -18.233 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.555 -13.349 -18.867 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.849 -14.879 -17.914 1.00 0.00 H new ATOM 996 N ALA A 100 3.552 -9.729 -19.914 1.00 0.00 N ATOM 997 CA ALA A 100 4.912 -10.060 -19.437 1.00 0.00 C ATOM 998 C ALA A 100 5.597 -8.769 -18.984 1.00 0.00 C ATOM 999 O ALA A 100 5.532 -8.393 -17.830 1.00 0.00 O ATOM 1000 CB ALA A 100 5.621 -10.675 -20.643 1.00 0.00 C ATOM 0 H ALA A 100 3.495 -9.401 -20.878 1.00 0.00 H new ATOM 0 HA ALA A 100 4.920 -10.749 -18.592 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.640 -10.947 -20.366 1.00 0.00 H new ATOM 0 HB2 ALA A 100 5.082 -11.566 -20.967 1.00 0.00 H new ATOM 0 HB3 ALA A 100 5.648 -9.951 -21.458 1.00 0.00 H new ATOM 1006 N LEU A 101 6.272 -8.099 -19.874 1.00 0.00 N ATOM 1007 CA LEU A 101 6.977 -6.847 -19.477 1.00 0.00 C ATOM 1008 C LEU A 101 6.455 -5.636 -20.260 1.00 0.00 C ATOM 1009 O LEU A 101 6.564 -5.596 -21.470 1.00 0.00 O ATOM 1010 CB LEU A 101 8.438 -7.104 -19.840 1.00 0.00 C ATOM 1011 CG LEU A 101 9.324 -6.648 -18.682 1.00 0.00 C ATOM 1012 CD1 LEU A 101 9.029 -5.180 -18.365 1.00 0.00 C ATOM 1013 CD2 LEU A 101 9.021 -7.501 -17.448 1.00 0.00 C ATOM 0 H LEU A 101 6.367 -8.361 -20.855 1.00 0.00 H new ATOM 0 HA LEU A 101 6.828 -6.620 -18.421 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.596 -8.164 -20.040 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.701 -6.565 -20.750 1.00 0.00 H new ATOM 0 HG LEU A 101 10.373 -6.760 -18.958 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.660 -4.852 -17.539 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.236 -4.569 -19.244 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.981 -5.072 -18.086 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.651 -7.179 -16.619 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.973 -7.384 -17.173 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.223 -8.549 -17.671 1.00 0.00 H new ATOM 1138 N VAL A 110 7.119 -1.427 -13.666 1.00 0.00 N ATOM 1139 CA VAL A 110 5.977 -0.697 -13.044 1.00 0.00 C ATOM 1140 C VAL A 110 5.068 -0.102 -14.121 1.00 0.00 C ATOM 1141 O VAL A 110 4.186 -0.762 -14.625 1.00 0.00 O ATOM 1142 CB VAL A 110 6.598 0.417 -12.191 1.00 0.00 C ATOM 1143 CG1 VAL A 110 6.881 -0.117 -10.785 1.00 0.00 C ATOM 1144 CG2 VAL A 110 7.906 0.908 -12.824 1.00 0.00 C ATOM 0 HA VAL A 110 5.362 -1.365 -12.441 1.00 0.00 H new ATOM 0 HB VAL A 110 5.899 1.251 -12.136 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.322 0.673 -10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.949 -0.449 -10.327 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.574 -0.956 -10.847 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.334 1.698 -12.207 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.610 0.079 -12.893 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.704 1.296 -13.822 1.00 0.00 H new ATOM 1154 N PHE A 111 5.284 1.134 -14.490 1.00 0.00 N ATOM 1155 CA PHE A 111 4.423 1.751 -15.541 1.00 0.00 C ATOM 1156 C PHE A 111 5.143 1.736 -16.892 1.00 0.00 C ATOM 1157 O PHE A 111 6.353 1.800 -16.963 1.00 0.00 O ATOM 1158 CB PHE A 111 4.185 3.193 -15.077 1.00 0.00 C ATOM 1159 CG PHE A 111 2.712 3.530 -15.123 1.00 0.00 C ATOM 1160 CD1 PHE A 111 1.837 2.811 -15.951 1.00 0.00 C ATOM 1161 CD2 PHE A 111 2.222 4.577 -14.334 1.00 0.00 C ATOM 1162 CE1 PHE A 111 0.478 3.140 -15.985 1.00 0.00 C ATOM 1163 CE2 PHE A 111 0.864 4.906 -14.372 1.00 0.00 C ATOM 1164 CZ PHE A 111 -0.009 4.187 -15.195 1.00 0.00 C ATOM 0 H PHE A 111 6.014 1.738 -14.112 1.00 0.00 H new ATOM 0 HA PHE A 111 3.487 1.208 -15.672 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.561 3.321 -14.062 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.741 3.882 -15.713 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.213 2.004 -16.562 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.894 5.131 -13.695 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.196 2.586 -16.621 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.488 5.716 -13.765 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.059 4.440 -15.221 1.00 0.00 H new ATOM 1174 N THR A 112 4.403 1.648 -17.967 1.00 0.00 N ATOM 1175 CA THR A 112 5.041 1.625 -19.312 1.00 0.00 C ATOM 1176 C THR A 112 5.525 3.024 -19.697 1.00 0.00 C ATOM 1177 O THR A 112 4.754 3.869 -20.107 1.00 0.00 O ATOM 1178 CB THR A 112 3.941 1.156 -20.262 1.00 0.00 C ATOM 1179 OG1 THR A 112 3.339 -0.017 -19.739 1.00 0.00 O ATOM 1180 CG2 THR A 112 4.544 0.854 -21.633 1.00 0.00 C ATOM 0 H THR A 112 3.385 1.591 -17.969 1.00 0.00 H new ATOM 0 HA THR A 112 5.913 0.972 -19.343 1.00 0.00 H new ATOM 0 HB THR A 112 3.189 1.938 -20.364 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.304 -0.705 -20.436 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.758 0.519 -22.310 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.008 1.756 -22.033 1.00 0.00 H new ATOM 0 HG23 THR A 112 5.296 0.071 -21.535 1.00 0.00 H new ATOM 1188 N ASP A 113 6.800 3.272 -19.570 1.00 0.00 N ATOM 1189 CA ASP A 113 7.340 4.615 -19.928 1.00 0.00 C ATOM 1190 C ASP A 113 8.592 4.465 -20.808 1.00 0.00 C ATOM 1191 O ASP A 113 9.611 3.997 -20.340 1.00 0.00 O ATOM 1192 CB ASP A 113 7.701 5.256 -18.590 1.00 0.00 C ATOM 1193 CG ASP A 113 8.159 6.698 -18.821 1.00 0.00 C ATOM 1194 OD1 ASP A 113 7.981 7.183 -19.926 1.00 0.00 O ATOM 1195 OD2 ASP A 113 8.679 7.290 -17.890 1.00 0.00 O ATOM 0 H ASP A 113 7.492 2.602 -19.234 1.00 0.00 H new ATOM 0 HA ASP A 113 6.626 5.215 -20.492 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.839 5.240 -17.923 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.492 4.686 -18.103 1.00 0.00 H new ATOM 1200 N PRO A 114 8.484 4.858 -22.057 1.00 0.00 N ATOM 1201 CA PRO A 114 7.220 5.425 -22.594 1.00 0.00 C ATOM 1202 C PRO A 114 6.171 4.323 -22.755 1.00 0.00 C ATOM 1203 O PRO A 114 6.502 3.155 -22.805 1.00 0.00 O ATOM 1204 CB PRO A 114 7.628 5.996 -23.950 1.00 0.00 C ATOM 1205 CG PRO A 114 8.838 5.216 -24.350 1.00 0.00 C ATOM 1206 CD PRO A 114 9.535 4.803 -23.080 1.00 0.00 C ATOM 0 HA PRO A 114 6.774 6.176 -21.942 1.00 0.00 H new ATOM 0 HB2 PRO A 114 6.828 5.886 -24.682 1.00 0.00 H new ATOM 0 HB3 PRO A 114 7.850 7.061 -23.879 1.00 0.00 H new ATOM 0 HG2 PRO A 114 8.557 4.342 -24.937 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.498 5.820 -24.973 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.956 3.801 -23.165 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.359 5.476 -22.841 1.00 0.00 H new ATOM 1214 N PRO A 115 4.936 4.734 -22.831 1.00 0.00 N ATOM 1215 CA PRO A 115 3.821 3.770 -22.989 1.00 0.00 C ATOM 1216 C PRO A 115 3.823 3.192 -24.405 1.00 0.00 C ATOM 1217 O PRO A 115 4.758 3.377 -25.159 1.00 0.00 O ATOM 1218 CB PRO A 115 2.575 4.618 -22.749 1.00 0.00 C ATOM 1219 CG PRO A 115 2.990 6.014 -23.080 1.00 0.00 C ATOM 1220 CD PRO A 115 4.463 6.121 -22.778 1.00 0.00 C ATOM 0 HA PRO A 115 3.886 2.920 -22.310 1.00 0.00 H new ATOM 0 HB2 PRO A 115 1.748 4.292 -23.379 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.238 4.541 -21.715 1.00 0.00 H new ATOM 0 HG2 PRO A 115 2.795 6.236 -24.129 1.00 0.00 H new ATOM 0 HG3 PRO A 115 2.423 6.735 -22.491 1.00 0.00 H new ATOM 0 HD2 PRO A 115 4.976 6.746 -23.509 1.00 0.00 H new ATOM 0 HD3 PRO A 115 4.639 6.566 -21.799 1.00 0.00 H new ATOM 1228 N VAL A 116 2.783 2.500 -24.777 1.00 0.00 N ATOM 1229 CA VAL A 116 2.730 1.924 -26.150 1.00 0.00 C ATOM 1230 C VAL A 116 1.842 2.799 -27.038 1.00 0.00 C ATOM 1231 O VAL A 116 0.740 3.159 -26.668 1.00 0.00 O ATOM 1232 CB VAL A 116 2.129 0.527 -25.975 1.00 0.00 C ATOM 1233 CG1 VAL A 116 1.628 0.011 -27.324 1.00 0.00 C ATOM 1234 CG2 VAL A 116 3.201 -0.422 -25.434 1.00 0.00 C ATOM 0 H VAL A 116 1.970 2.308 -24.192 1.00 0.00 H new ATOM 0 HA VAL A 116 3.709 1.876 -26.626 1.00 0.00 H new ATOM 0 HB VAL A 116 1.295 0.576 -25.274 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.201 -0.984 -27.197 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.866 0.687 -27.712 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.460 -0.039 -28.026 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.776 -1.418 -25.308 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.033 -0.469 -26.136 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.559 -0.056 -24.471 1.00 0.00 H new ATOM 1244 N LYS A 117 2.315 3.152 -28.203 1.00 0.00 N ATOM 1245 CA LYS A 117 1.500 4.011 -29.110 1.00 0.00 C ATOM 1246 C LYS A 117 0.864 3.165 -30.212 1.00 0.00 C ATOM 1247 O LYS A 117 1.540 2.478 -30.952 1.00 0.00 O ATOM 1248 CB LYS A 117 2.485 5.020 -29.707 1.00 0.00 C ATOM 1249 CG LYS A 117 3.099 5.869 -28.590 1.00 0.00 C ATOM 1250 CD LYS A 117 4.213 6.746 -29.168 1.00 0.00 C ATOM 1251 CE LYS A 117 5.538 6.411 -28.478 1.00 0.00 C ATOM 1252 NZ LYS A 117 5.337 6.793 -27.053 1.00 0.00 N ATOM 0 H LYS A 117 3.230 2.883 -28.566 1.00 0.00 H new ATOM 0 HA LYS A 117 0.686 4.506 -28.581 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.271 4.496 -30.252 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.973 5.661 -30.424 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.333 6.493 -28.130 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.498 5.225 -27.807 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.299 6.582 -30.242 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.972 7.799 -29.024 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.776 5.351 -28.573 1.00 0.00 H new ATOM 0 HE3 LYS A 117 6.365 6.964 -28.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 5.845 7.679 -26.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.322 6.928 -26.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.703 6.040 -26.437 1.00 0.00 H new ATOM 1266 N THR A 118 -0.435 3.207 -30.324 1.00 0.00 N ATOM 1267 CA THR A 118 -1.117 2.403 -31.375 1.00 0.00 C ATOM 1268 C THR A 118 -2.172 3.250 -32.092 1.00 0.00 C ATOM 1269 O THR A 118 -2.329 4.424 -31.822 1.00 0.00 O ATOM 1270 CB THR A 118 -1.767 1.246 -30.618 1.00 0.00 C ATOM 1271 OG1 THR A 118 -2.587 1.764 -29.580 1.00 0.00 O ATOM 1272 CG2 THR A 118 -0.676 0.360 -30.014 1.00 0.00 C ATOM 0 H THR A 118 -1.053 3.763 -29.733 1.00 0.00 H new ATOM 0 HA THR A 118 -0.429 2.051 -32.144 1.00 0.00 H new ATOM 0 HB THR A 118 -2.377 0.656 -31.302 1.00 0.00 H new ATOM 0 HG1 THR A 118 -3.503 1.435 -29.692 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.137 -0.467 -29.473 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.045 -0.034 -30.811 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.068 0.949 -29.327 1.00 0.00 H new ATOM 1280 N LYS A 119 -2.882 2.665 -33.017 1.00 0.00 N ATOM 1281 CA LYS A 119 -3.913 3.436 -33.770 1.00 0.00 C ATOM 1282 C LYS A 119 -5.140 3.726 -32.899 1.00 0.00 C ATOM 1283 O LYS A 119 -5.944 4.577 -33.226 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.299 2.537 -34.943 1.00 0.00 C ATOM 1285 CG LYS A 119 -5.401 3.213 -35.761 1.00 0.00 C ATOM 1286 CD LYS A 119 -5.676 2.395 -37.024 1.00 0.00 C ATOM 1287 CE LYS A 119 -6.570 1.204 -36.676 1.00 0.00 C ATOM 1288 NZ LYS A 119 -6.870 0.555 -37.983 1.00 0.00 N ATOM 0 H LYS A 119 -2.793 1.685 -33.285 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.530 4.404 -34.093 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.429 2.347 -35.572 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.644 1.570 -34.576 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.310 3.298 -35.165 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.100 4.226 -36.029 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.159 3.019 -37.776 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.738 2.045 -37.455 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.064 0.515 -36.000 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.483 1.528 -36.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.480 -0.273 -37.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.357 1.233 -38.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.982 0.251 -38.432 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.306 3.037 -31.801 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.506 3.315 -30.954 1.00 0.00 C ATOM 1304 C PHE A 120 -6.158 4.268 -29.805 1.00 0.00 C ATOM 1305 O PHE A 120 -7.006 4.611 -29.005 1.00 0.00 O ATOM 1306 CB PHE A 120 -7.009 1.961 -30.425 1.00 0.00 C ATOM 1307 CG PHE A 120 -5.859 1.042 -30.087 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.336 0.182 -31.062 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -5.329 1.037 -28.795 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.279 -0.678 -30.741 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -4.272 0.174 -28.473 1.00 0.00 C ATOM 1312 CZ PHE A 120 -3.748 -0.683 -29.447 1.00 0.00 C ATOM 0 H PHE A 120 -4.679 2.309 -31.458 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.284 3.807 -31.537 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -7.623 2.120 -29.538 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.646 1.490 -31.173 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -5.748 0.183 -32.060 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -5.734 1.698 -28.043 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.873 -1.338 -31.493 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.862 0.171 -27.474 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.934 -1.348 -29.200 1.00 0.00 H new ATOM 1322 N GLY A 121 -4.936 4.726 -29.723 1.00 0.00 N ATOM 1323 CA GLY A 121 -4.589 5.681 -28.630 1.00 0.00 C ATOM 1324 C GLY A 121 -3.305 5.260 -27.908 1.00 0.00 C ATOM 1325 O GLY A 121 -2.617 4.342 -28.310 1.00 0.00 O ATOM 0 H GLY A 121 -4.173 4.484 -30.356 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.464 6.681 -29.045 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.410 5.733 -27.915 1.00 0.00 H new ATOM 1329 N TYR A 122 -2.994 5.933 -26.826 1.00 0.00 N ATOM 1330 CA TYR A 122 -1.771 5.596 -26.039 1.00 0.00 C ATOM 1331 C TYR A 122 -2.170 4.778 -24.807 1.00 0.00 C ATOM 1332 O TYR A 122 -3.264 4.912 -24.298 1.00 0.00 O ATOM 1333 CB TYR A 122 -1.187 6.945 -25.609 1.00 0.00 C ATOM 1334 CG TYR A 122 -0.786 7.747 -26.823 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -0.060 7.141 -27.853 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -1.134 9.101 -26.915 1.00 0.00 C ATOM 1337 CE1 TYR A 122 0.320 7.886 -28.976 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -0.754 9.847 -28.038 1.00 0.00 C ATOM 1339 CZ TYR A 122 -0.028 9.240 -29.068 1.00 0.00 C ATOM 1340 OH TYR A 122 0.347 9.975 -30.174 1.00 0.00 O ATOM 0 H TYR A 122 -3.542 6.708 -26.453 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.054 5.008 -26.612 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -1.922 7.498 -25.024 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -0.321 6.787 -24.966 1.00 0.00 H new ATOM 0 HD1 TYR A 122 0.208 6.097 -27.782 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -1.695 9.570 -26.120 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.881 7.417 -29.771 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -1.022 10.891 -28.109 1.00 0.00 H new ATOM 0 HH TYR A 122 0.847 9.403 -30.793 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.308 3.917 -24.330 1.00 0.00 N ATOM 1351 CA HIS A 123 -1.683 3.094 -23.140 1.00 0.00 C ATOM 1352 C HIS A 123 -0.547 3.010 -22.116 1.00 0.00 C ATOM 1353 O HIS A 123 0.532 2.534 -22.408 1.00 0.00 O ATOM 1354 CB HIS A 123 -1.969 1.700 -23.696 1.00 0.00 C ATOM 1355 CG HIS A 123 -2.980 1.792 -24.802 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -4.235 1.213 -24.707 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -2.934 2.393 -26.034 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -4.888 1.477 -25.853 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -4.139 2.194 -26.695 1.00 0.00 N ATOM 0 H HIS A 123 -0.375 3.749 -24.706 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.534 3.534 -22.621 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.048 1.251 -24.069 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -2.342 1.051 -22.903 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -2.090 2.938 -26.430 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -5.895 1.149 -26.066 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.397 2.525 -27.625 1.00 0.00 H new ATOM 1367 N ILE A 124 -0.806 3.419 -20.903 1.00 0.00 N ATOM 1368 CA ILE A 124 0.237 3.308 -19.840 1.00 0.00 C ATOM 1369 C ILE A 124 -0.113 2.094 -18.971 1.00 0.00 C ATOM 1370 O ILE A 124 -1.196 2.008 -18.426 1.00 0.00 O ATOM 1371 CB ILE A 124 0.159 4.611 -19.036 1.00 0.00 C ATOM 1372 CG1 ILE A 124 0.129 5.807 -19.991 1.00 0.00 C ATOM 1373 CG2 ILE A 124 1.392 4.730 -18.140 1.00 0.00 C ATOM 1374 CD1 ILE A 124 -0.088 7.093 -19.191 1.00 0.00 C ATOM 0 H ILE A 124 -1.692 3.824 -20.602 1.00 0.00 H new ATOM 0 HA ILE A 124 1.245 3.171 -20.231 1.00 0.00 H new ATOM 0 HB ILE A 124 -0.746 4.601 -18.429 1.00 0.00 H new ATOM 0 HG12 ILE A 124 1.065 5.866 -20.547 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -0.669 5.682 -20.723 1.00 0.00 H new ATOM 0 HG21 ILE A 124 1.338 5.656 -17.568 1.00 0.00 H new ATOM 0 HG22 ILE A 124 1.428 3.882 -17.456 1.00 0.00 H new ATOM 0 HG23 ILE A 124 2.291 4.737 -18.757 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -0.109 7.945 -19.871 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -1.035 7.033 -18.655 1.00 0.00 H new ATOM 0 HD13 ILE A 124 0.726 7.219 -18.477 1.00 0.00 H new ATOM 1386 N ILE A 125 0.762 1.128 -18.876 1.00 0.00 N ATOM 1387 CA ILE A 125 0.425 -0.096 -18.086 1.00 0.00 C ATOM 1388 C ILE A 125 1.212 -0.184 -16.776 1.00 0.00 C ATOM 1389 O ILE A 125 2.425 -0.142 -16.759 1.00 0.00 O ATOM 1390 CB ILE A 125 0.806 -1.260 -19.000 1.00 0.00 C ATOM 1391 CG1 ILE A 125 0.219 -1.026 -20.393 1.00 0.00 C ATOM 1392 CG2 ILE A 125 0.253 -2.565 -18.428 1.00 0.00 C ATOM 1393 CD1 ILE A 125 0.557 -2.214 -21.296 1.00 0.00 C ATOM 0 H ILE A 125 1.687 1.131 -19.306 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.626 -0.095 -17.798 1.00 0.00 H new ATOM 0 HB ILE A 125 1.892 -1.326 -19.067 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.862 -0.902 -20.327 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.621 -0.106 -20.819 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.526 -3.393 -19.082 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.671 -2.733 -17.435 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.833 -2.501 -18.358 1.00 0.00 H new ATOM 0 HD11 ILE A 125 0.139 -2.047 -22.289 1.00 0.00 H new ATOM 0 HD12 ILE A 125 1.639 -2.318 -21.371 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.134 -3.125 -20.872 1.00 0.00 H new ATOM 1405 N MET A 126 0.517 -0.352 -15.683 1.00 0.00 N ATOM 1406 CA MET A 126 1.196 -0.493 -14.364 1.00 0.00 C ATOM 1407 C MET A 126 1.026 -1.937 -13.877 1.00 0.00 C ATOM 1408 O MET A 126 -0.010 -2.307 -13.364 1.00 0.00 O ATOM 1409 CB MET A 126 0.479 0.489 -13.438 1.00 0.00 C ATOM 1410 CG MET A 126 1.160 0.498 -12.068 1.00 0.00 C ATOM 1411 SD MET A 126 2.640 1.539 -12.137 1.00 0.00 S ATOM 1412 CE MET A 126 3.242 1.191 -10.466 1.00 0.00 C ATOM 0 H MET A 126 -0.501 -0.398 -15.648 1.00 0.00 H new ATOM 0 HA MET A 126 2.265 -0.282 -14.404 1.00 0.00 H new ATOM 0 HB2 MET A 126 0.496 1.490 -13.870 1.00 0.00 H new ATOM 0 HB3 MET A 126 -0.568 0.206 -13.332 1.00 0.00 H new ATOM 0 HG2 MET A 126 0.472 0.875 -11.311 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.430 -0.517 -11.777 1.00 0.00 H new ATOM 0 HE1 MET A 126 3.847 2.027 -10.116 1.00 0.00 H new ATOM 0 HE2 MET A 126 2.394 1.051 -9.796 1.00 0.00 H new ATOM 0 HE3 MET A 126 3.848 0.285 -10.479 1.00 0.00 H new ATOM 1422 N VAL A 127 2.022 -2.764 -14.064 1.00 0.00 N ATOM 1423 CA VAL A 127 1.893 -4.193 -13.642 1.00 0.00 C ATOM 1424 C VAL A 127 2.741 -4.490 -12.402 1.00 0.00 C ATOM 1425 O VAL A 127 3.866 -4.047 -12.286 1.00 0.00 O ATOM 1426 CB VAL A 127 2.403 -4.997 -14.837 1.00 0.00 C ATOM 1427 CG1 VAL A 127 2.050 -6.472 -14.648 1.00 0.00 C ATOM 1428 CG2 VAL A 127 1.743 -4.473 -16.115 1.00 0.00 C ATOM 0 H VAL A 127 2.915 -2.514 -14.488 1.00 0.00 H new ATOM 0 HA VAL A 127 0.866 -4.441 -13.374 1.00 0.00 H new ATOM 0 HB VAL A 127 3.485 -4.892 -14.914 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.414 -7.045 -15.501 1.00 0.00 H new ATOM 0 HG12 VAL A 127 2.516 -6.844 -13.735 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.968 -6.580 -14.573 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.104 -5.043 -16.971 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.661 -4.581 -16.037 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.994 -3.421 -16.249 1.00 0.00 H new ATOM 1438 N GLU A 128 2.205 -5.239 -11.473 1.00 0.00 N ATOM 1439 CA GLU A 128 2.983 -5.564 -10.239 1.00 0.00 C ATOM 1440 C GLU A 128 2.702 -7.001 -9.772 1.00 0.00 C ATOM 1441 O GLU A 128 3.191 -7.434 -8.747 1.00 0.00 O ATOM 1442 CB GLU A 128 2.500 -4.560 -9.192 1.00 0.00 C ATOM 1443 CG GLU A 128 2.971 -3.156 -9.580 1.00 0.00 C ATOM 1444 CD GLU A 128 2.847 -2.223 -8.374 1.00 0.00 C ATOM 1445 OE1 GLU A 128 2.480 -2.704 -7.313 1.00 0.00 O ATOM 1446 OE2 GLU A 128 3.121 -1.044 -8.530 1.00 0.00 O ATOM 0 H GLU A 128 1.267 -5.638 -11.514 1.00 0.00 H new ATOM 0 HA GLU A 128 4.057 -5.500 -10.411 1.00 0.00 H new ATOM 0 HB2 GLU A 128 1.412 -4.585 -9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 128 2.888 -4.827 -8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 128 4.005 -3.190 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 128 2.374 -2.777 -10.409 1.00 0.00 H new ATOM 1453 N GLY A 129 1.924 -7.743 -10.512 1.00 0.00 N ATOM 1454 CA GLY A 129 1.623 -9.145 -10.102 1.00 0.00 C ATOM 1455 C GLY A 129 1.975 -10.095 -11.246 1.00 0.00 C ATOM 1456 O GLY A 129 1.738 -9.804 -12.401 1.00 0.00 O ATOM 0 H GLY A 129 1.484 -7.440 -11.381 1.00 0.00 H new ATOM 0 HA2 GLY A 129 2.193 -9.405 -9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 129 0.568 -9.242 -9.846 1.00 0.00 H new ATOM 1460 N ARG A 130 2.546 -11.227 -10.939 1.00 0.00 N ATOM 1461 CA ARG A 130 2.915 -12.191 -12.016 1.00 0.00 C ATOM 1462 C ARG A 130 2.448 -13.601 -11.646 1.00 0.00 C ATOM 1463 O ARG A 130 2.656 -14.063 -10.541 1.00 0.00 O ATOM 1464 CB ARG A 130 4.442 -12.134 -12.086 1.00 0.00 C ATOM 1465 CG ARG A 130 4.942 -13.092 -13.169 1.00 0.00 C ATOM 1466 CD ARG A 130 6.402 -13.457 -12.891 1.00 0.00 C ATOM 1467 NE ARG A 130 6.341 -14.734 -12.128 1.00 0.00 N ATOM 1468 CZ ARG A 130 7.316 -15.062 -11.325 1.00 0.00 C ATOM 1469 NH1 ARG A 130 8.520 -15.243 -11.798 1.00 0.00 N ATOM 1470 NH2 ARG A 130 7.089 -15.209 -10.048 1.00 0.00 N ATOM 0 H ARG A 130 2.773 -11.527 -9.991 1.00 0.00 H new ATOM 0 HA ARG A 130 2.451 -11.944 -12.971 1.00 0.00 H new ATOM 0 HB2 ARG A 130 4.768 -11.118 -12.306 1.00 0.00 H new ATOM 0 HB3 ARG A 130 4.871 -12.404 -11.121 1.00 0.00 H new ATOM 0 HG2 ARG A 130 4.328 -13.992 -13.186 1.00 0.00 H new ATOM 0 HG3 ARG A 130 4.853 -12.627 -14.151 1.00 0.00 H new ATOM 0 HD2 ARG A 130 6.962 -13.578 -13.818 1.00 0.00 H new ATOM 0 HD3 ARG A 130 6.901 -12.677 -12.316 1.00 0.00 H new ATOM 0 HE ARG A 130 5.537 -15.353 -12.233 1.00 0.00 H new ATOM 0 HH11 ARG A 130 8.699 -15.128 -12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 130 9.282 -15.499 -11.170 1.00 0.00 H new ATOM 0 HH21 ARG A 130 6.149 -15.068 -9.677 1.00 0.00 H new ATOM 0 HH22 ARG A 130 7.851 -15.465 -9.421 1.00 0.00 H new ATOM 1484 N LYS A 131 1.821 -14.290 -12.559 1.00 0.00 N ATOM 1485 CA LYS A 131 1.348 -15.670 -12.249 1.00 0.00 C ATOM 1486 C LYS A 131 2.547 -16.595 -12.022 1.00 0.00 C ATOM 1487 O LYS A 131 2.368 -17.619 -11.384 1.00 0.00 O ATOM 1488 CB LYS A 131 0.557 -16.113 -13.481 1.00 0.00 C ATOM 1489 CG LYS A 131 1.440 -16.002 -14.724 1.00 0.00 C ATOM 1490 CD LYS A 131 1.160 -17.184 -15.652 1.00 0.00 C ATOM 1491 CE LYS A 131 2.482 -17.852 -16.037 1.00 0.00 C ATOM 1492 NZ LYS A 131 2.530 -17.785 -17.524 1.00 0.00 N ATOM 1493 OXT LYS A 131 3.623 -16.262 -12.490 1.00 0.00 O ATOM 0 H LYS A 131 1.616 -13.960 -13.502 1.00 0.00 H new ATOM 0 HA LYS A 131 0.739 -15.703 -11.346 1.00 0.00 H new ATOM 0 HB2 LYS A 131 0.215 -17.140 -13.356 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -0.332 -15.493 -13.597 1.00 0.00 H new ATOM 0 HG2 LYS A 131 1.242 -15.064 -15.242 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.492 -15.992 -14.437 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.507 -17.903 -15.157 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.638 -16.843 -16.546 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.331 -17.333 -15.591 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.519 -18.884 -15.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.410 -18.224 -17.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.714 -18.293 -17.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.500 -16.791 -17.828 1.00 0.00 H new