USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 860 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 106 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 SER OG : rot 68:sc= 0.601 USER MOD Set 2.1: A 54 HIS :FLIP no HD1:sc= -3.48! C(o=-5.3!,f=-2.5!) USER MOD Set 2.2: A 55 ASN :FLIP amide:sc= 1.01 F(o=-4.3,f=-2.5) USER MOD Set 3.1: A 24 THR OG1 : rot -103:sc= 0.106! USER MOD Set 3.2: A 27 ASN : amide:sc= -2.36! C(o=-2.3!,f=-15!) USER MOD Set 4.1: A 16 ASN : amide:sc= -0.819 K(o=-7.6,f=-14!) USER MOD Set 4.2: A 20 HIS : no HD1:sc= -6.28! C(o=-7.6!,f=-9.9!) USER MOD Set 4.3: A 22 ASN : amide:sc= -0.518 X(o=-7.6,f=-7.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.241 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 10 SER OG : rot 51:sc= 0.259 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.548 K(o=-0.55,f=-1.5!) USER MOD Single : A 34 GLN : amide:sc= -0.0548 X(o=-0.055,f=-0.048) USER MOD Single : A 35 TYR OH : rot 0:sc= -3.18! USER MOD Single : A 37 GLN : amide:sc= -0.42 K(o=-0.42,f=-3.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 110:sc= -5.85! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.311 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.77! X(o=-2.8!,f=-2.7) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -173:sc= -7.24! (180deg=-7.9!) USER MOD Single : A 63 THR OG1 : rot -85:sc= 0.204! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.516 K(o=0.52,f=-3.6!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -3.59! C(o=-3.6!,f=-15!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -7.15! C(o=-7.2!,f=-19!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 103:sc= -1.18 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.707 F(o=-2.2!,f=-0.71) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-5.9!) USER MOD Single : A 107 SER OG : rot 180:sc= -0.569 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -47.220 -2.751 6.989 1.00 0.00 N ATOM 2 CA GLY A 1 -46.445 -3.945 6.701 1.00 0.00 C ATOM 3 C GLY A 1 -46.373 -4.202 5.195 1.00 0.00 C ATOM 4 O GLY A 1 -47.401 -4.345 4.536 1.00 0.00 O ATOM 0 H1 GLY A 1 -47.254 -2.599 8.017 1.00 0.00 H new ATOM 0 H2 GLY A 1 -46.775 -1.930 6.532 1.00 0.00 H new ATOM 0 H3 GLY A 1 -48.187 -2.868 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -45.438 -3.835 7.103 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -46.895 -4.804 7.199 1.00 0.00 H new ATOM 8 N SER A 2 -45.147 -4.252 4.694 1.00 0.00 N ATOM 9 CA SER A 2 -44.927 -4.489 3.277 1.00 0.00 C ATOM 10 C SER A 2 -43.431 -4.646 2.999 1.00 0.00 C ATOM 11 O SER A 2 -42.678 -3.676 3.068 1.00 0.00 O ATOM 12 CB SER A 2 -45.507 -3.353 2.432 1.00 0.00 C ATOM 13 OG SER A 2 -45.844 -3.785 1.117 1.00 0.00 O ATOM 0 H SER A 2 -44.296 -4.132 5.244 1.00 0.00 H new ATOM 0 HA SER A 2 -45.440 -5.410 3.001 1.00 0.00 H new ATOM 0 HB2 SER A 2 -46.395 -2.954 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 2 -44.784 -2.540 2.372 1.00 0.00 H new ATOM 0 HG SER A 2 -46.212 -3.032 0.610 1.00 0.00 H new ATOM 19 N SER A 3 -43.044 -5.876 2.692 1.00 0.00 N ATOM 20 CA SER A 3 -41.651 -6.172 2.403 1.00 0.00 C ATOM 21 C SER A 3 -41.502 -7.640 1.995 1.00 0.00 C ATOM 22 O SER A 3 -42.416 -8.439 2.195 1.00 0.00 O ATOM 23 CB SER A 3 -40.761 -5.863 3.609 1.00 0.00 C ATOM 24 OG SER A 3 -39.395 -6.180 3.358 1.00 0.00 O ATOM 0 H SER A 3 -43.671 -6.679 2.637 1.00 0.00 H new ATOM 0 HA SER A 3 -41.330 -5.537 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 3 -40.848 -4.806 3.862 1.00 0.00 H new ATOM 0 HB3 SER A 3 -41.112 -6.428 4.473 1.00 0.00 H new ATOM 0 HG SER A 3 -38.859 -5.967 4.150 1.00 0.00 H new ATOM 30 N GLY A 4 -40.344 -7.949 1.431 1.00 0.00 N ATOM 31 CA GLY A 4 -40.064 -9.306 0.994 1.00 0.00 C ATOM 32 C GLY A 4 -38.849 -9.343 0.065 1.00 0.00 C ATOM 33 O GLY A 4 -38.388 -8.302 -0.402 1.00 0.00 O ATOM 0 H GLY A 4 -39.589 -7.283 1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -39.883 -9.941 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -40.934 -9.712 0.478 1.00 0.00 H new ATOM 37 N SER A 5 -38.364 -10.552 -0.175 1.00 0.00 N ATOM 38 CA SER A 5 -37.211 -10.738 -1.039 1.00 0.00 C ATOM 39 C SER A 5 -35.953 -10.194 -0.359 1.00 0.00 C ATOM 40 O SER A 5 -35.916 -9.034 0.049 1.00 0.00 O ATOM 41 CB SER A 5 -37.420 -10.054 -2.392 1.00 0.00 C ATOM 42 OG SER A 5 -37.422 -10.988 -3.468 1.00 0.00 O ATOM 0 H SER A 5 -38.749 -11.413 0.214 1.00 0.00 H new ATOM 0 HA SER A 5 -37.087 -11.806 -1.217 1.00 0.00 H new ATOM 0 HB2 SER A 5 -38.365 -9.511 -2.382 1.00 0.00 H new ATOM 0 HB3 SER A 5 -36.632 -9.318 -2.552 1.00 0.00 H new ATOM 0 HG SER A 5 -37.560 -10.512 -4.314 1.00 0.00 H new ATOM 48 N SER A 6 -34.953 -11.058 -0.257 1.00 0.00 N ATOM 49 CA SER A 6 -33.697 -10.678 0.367 1.00 0.00 C ATOM 50 C SER A 6 -32.691 -11.826 0.258 1.00 0.00 C ATOM 51 O SER A 6 -33.077 -12.979 0.076 1.00 0.00 O ATOM 52 CB SER A 6 -33.905 -10.292 1.833 1.00 0.00 C ATOM 53 OG SER A 6 -32.689 -9.888 2.456 1.00 0.00 O ATOM 0 H SER A 6 -34.987 -12.019 -0.596 1.00 0.00 H new ATOM 0 HA SER A 6 -33.304 -9.807 -0.157 1.00 0.00 H new ATOM 0 HB2 SER A 6 -34.631 -9.481 1.895 1.00 0.00 H new ATOM 0 HB3 SER A 6 -34.326 -11.139 2.375 1.00 0.00 H new ATOM 0 HG SER A 6 -32.864 -9.648 3.390 1.00 0.00 H new ATOM 59 N GLY A 7 -31.420 -11.469 0.373 1.00 0.00 N ATOM 60 CA GLY A 7 -30.356 -12.455 0.290 1.00 0.00 C ATOM 61 C GLY A 7 -29.365 -12.290 1.444 1.00 0.00 C ATOM 62 O GLY A 7 -29.174 -11.185 1.950 1.00 0.00 O ATOM 0 H GLY A 7 -31.103 -10.511 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.782 -13.458 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.833 -12.352 -0.661 1.00 0.00 H new ATOM 66 N LEU A 8 -28.760 -13.405 1.826 1.00 0.00 N ATOM 67 CA LEU A 8 -27.793 -13.399 2.911 1.00 0.00 C ATOM 68 C LEU A 8 -26.880 -14.619 2.781 1.00 0.00 C ATOM 69 O LEU A 8 -26.334 -15.099 3.774 1.00 0.00 O ATOM 70 CB LEU A 8 -28.505 -13.304 4.262 1.00 0.00 C ATOM 71 CG LEU A 8 -28.554 -14.592 5.086 1.00 0.00 C ATOM 72 CD1 LEU A 8 -27.404 -14.642 6.094 1.00 0.00 C ATOM 73 CD2 LEU A 8 -29.917 -14.759 5.761 1.00 0.00 C ATOM 0 H LEU A 8 -28.921 -14.319 1.403 1.00 0.00 H new ATOM 0 HA LEU A 8 -27.156 -12.516 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -28.013 -12.534 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -29.527 -12.968 4.089 1.00 0.00 H new ATOM 0 HG LEU A 8 -28.425 -15.436 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -27.462 -15.568 6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -26.453 -14.603 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -27.477 -13.791 6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -29.925 -15.682 6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -30.101 -13.913 6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -30.697 -14.801 5.001 1.00 0.00 H new ATOM 85 N GLU A 9 -26.740 -15.086 1.549 1.00 0.00 N ATOM 86 CA GLU A 9 -25.902 -16.241 1.277 1.00 0.00 C ATOM 87 C GLU A 9 -24.424 -15.866 1.402 1.00 0.00 C ATOM 88 O GLU A 9 -23.723 -15.747 0.399 1.00 0.00 O ATOM 89 CB GLU A 9 -26.204 -16.825 -0.105 1.00 0.00 C ATOM 90 CG GLU A 9 -25.753 -18.284 -0.195 1.00 0.00 C ATOM 91 CD GLU A 9 -25.824 -18.792 -1.636 1.00 0.00 C ATOM 92 OE1 GLU A 9 -26.937 -18.740 -2.202 1.00 0.00 O ATOM 93 OE2 GLU A 9 -24.763 -19.220 -2.139 1.00 0.00 O ATOM 0 H GLU A 9 -27.193 -14.685 0.728 1.00 0.00 H new ATOM 0 HA GLU A 9 -26.126 -17.009 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -27.273 -16.758 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -25.698 -16.237 -0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -24.733 -18.377 0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -26.383 -18.903 0.444 1.00 0.00 H new ATOM 100 N SER A 10 -23.995 -15.689 2.643 1.00 0.00 N ATOM 101 CA SER A 10 -22.613 -15.330 2.913 1.00 0.00 C ATOM 102 C SER A 10 -21.791 -16.588 3.196 1.00 0.00 C ATOM 103 O SER A 10 -21.618 -16.975 4.351 1.00 0.00 O ATOM 104 CB SER A 10 -22.517 -14.357 4.090 1.00 0.00 C ATOM 105 OG SER A 10 -23.234 -14.824 5.229 1.00 0.00 O ATOM 0 H SER A 10 -24.580 -15.787 3.473 1.00 0.00 H new ATOM 0 HA SER A 10 -22.210 -14.832 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 10 -21.470 -14.212 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 10 -22.908 -13.385 3.789 1.00 0.00 H new ATOM 0 HG SER A 10 -22.965 -15.745 5.430 1.00 0.00 H new ATOM 111 N GLU A 11 -21.304 -17.193 2.123 1.00 0.00 N ATOM 112 CA GLU A 11 -20.504 -18.400 2.241 1.00 0.00 C ATOM 113 C GLU A 11 -19.404 -18.415 1.177 1.00 0.00 C ATOM 114 O GLU A 11 -19.428 -19.240 0.266 1.00 0.00 O ATOM 115 CB GLU A 11 -21.380 -19.651 2.141 1.00 0.00 C ATOM 116 CG GLU A 11 -22.102 -19.921 3.463 1.00 0.00 C ATOM 117 CD GLU A 11 -22.489 -21.396 3.584 1.00 0.00 C ATOM 118 OE1 GLU A 11 -21.559 -22.214 3.758 1.00 0.00 O ATOM 119 OE2 GLU A 11 -23.705 -21.673 3.501 1.00 0.00 O ATOM 0 H GLU A 11 -21.448 -16.869 1.167 1.00 0.00 H new ATOM 0 HA GLU A 11 -20.032 -18.404 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.111 -19.525 1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -20.764 -20.511 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.459 -19.640 4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -22.996 -19.300 3.527 1.00 0.00 H new ATOM 126 N GLU A 12 -18.467 -17.491 1.329 1.00 0.00 N ATOM 127 CA GLU A 12 -17.360 -17.387 0.393 1.00 0.00 C ATOM 128 C GLU A 12 -16.049 -17.148 1.145 1.00 0.00 C ATOM 129 O GLU A 12 -15.643 -16.004 1.343 1.00 0.00 O ATOM 130 CB GLU A 12 -17.613 -16.282 -0.634 1.00 0.00 C ATOM 131 CG GLU A 12 -17.068 -16.675 -2.009 1.00 0.00 C ATOM 132 CD GLU A 12 -18.207 -16.915 -3.002 1.00 0.00 C ATOM 133 OE1 GLU A 12 -18.955 -17.892 -2.783 1.00 0.00 O ATOM 134 OE2 GLU A 12 -18.304 -16.115 -3.958 1.00 0.00 O ATOM 0 H GLU A 12 -18.451 -16.808 2.086 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.278 -18.329 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.683 -16.085 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -17.140 -15.357 -0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.414 -15.888 -2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.462 -17.577 -1.920 1.00 0.00 H new ATOM 141 N VAL A 13 -15.423 -18.246 1.542 1.00 0.00 N ATOM 142 CA VAL A 13 -14.167 -18.170 2.267 1.00 0.00 C ATOM 143 C VAL A 13 -13.035 -17.858 1.287 1.00 0.00 C ATOM 144 O VAL A 13 -13.281 -17.614 0.106 1.00 0.00 O ATOM 145 CB VAL A 13 -13.937 -19.463 3.053 1.00 0.00 C ATOM 146 CG1 VAL A 13 -14.838 -19.521 4.289 1.00 0.00 C ATOM 147 CG2 VAL A 13 -14.147 -20.690 2.164 1.00 0.00 C ATOM 0 H VAL A 13 -15.763 -19.193 1.375 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.197 -17.362 2.998 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.901 -19.469 3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.655 -20.450 4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.619 -18.674 4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.883 -19.481 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.977 -21.595 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.167 -20.691 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.446 -20.659 1.330 1.00 0.00 H new ATOM 157 N ASP A 14 -11.818 -17.876 1.811 1.00 0.00 N ATOM 158 CA ASP A 14 -10.647 -17.597 0.997 1.00 0.00 C ATOM 159 C ASP A 14 -9.534 -18.583 1.358 1.00 0.00 C ATOM 160 O ASP A 14 -9.684 -19.384 2.280 1.00 0.00 O ATOM 161 CB ASP A 14 -10.126 -16.181 1.248 1.00 0.00 C ATOM 162 CG ASP A 14 -10.719 -15.103 0.340 1.00 0.00 C ATOM 163 OD1 ASP A 14 -10.688 -15.318 -0.891 1.00 0.00 O ATOM 164 OD2 ASP A 14 -11.189 -14.087 0.896 1.00 0.00 O ATOM 0 H ASP A 14 -11.618 -18.080 2.790 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.933 -17.694 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.330 -15.914 2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.043 -16.182 1.126 1.00 0.00 H new ATOM 169 N LEU A 15 -8.442 -18.491 0.614 1.00 0.00 N ATOM 170 CA LEU A 15 -7.304 -19.364 0.845 1.00 0.00 C ATOM 171 C LEU A 15 -6.819 -19.194 2.286 1.00 0.00 C ATOM 172 O LEU A 15 -7.516 -18.610 3.114 1.00 0.00 O ATOM 173 CB LEU A 15 -6.217 -19.116 -0.203 1.00 0.00 C ATOM 174 CG LEU A 15 -5.918 -20.281 -1.149 1.00 0.00 C ATOM 175 CD1 LEU A 15 -5.672 -19.781 -2.574 1.00 0.00 C ATOM 176 CD2 LEU A 15 -4.753 -21.125 -0.628 1.00 0.00 C ATOM 0 H LEU A 15 -8.321 -17.825 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.595 -20.408 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.508 -18.253 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.296 -18.849 0.314 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.795 -20.928 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.462 -20.629 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.558 -19.257 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.821 -19.100 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.561 -21.946 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.861 -20.503 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.005 -21.528 0.353 1.00 0.00 H new ATOM 188 N ASN A 16 -5.628 -19.714 2.541 1.00 0.00 N ATOM 189 CA ASN A 16 -5.042 -19.627 3.868 1.00 0.00 C ATOM 190 C ASN A 16 -4.656 -18.175 4.156 1.00 0.00 C ATOM 191 O ASN A 16 -4.294 -17.836 5.281 1.00 0.00 O ATOM 192 CB ASN A 16 -3.777 -20.481 3.969 1.00 0.00 C ATOM 193 CG ASN A 16 -2.841 -20.218 2.787 1.00 0.00 C ATOM 194 OD1 ASN A 16 -2.972 -19.244 2.064 1.00 0.00 O ATOM 195 ND2 ASN A 16 -1.894 -21.137 2.631 1.00 0.00 N ATOM 0 H ASN A 16 -5.052 -20.197 1.851 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.779 -19.988 4.586 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.260 -20.262 4.903 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.048 -21.537 3.995 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.220 -21.051 1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.841 -21.928 3.272 1.00 0.00 H new ATOM 202 N ALA A 17 -4.746 -17.355 3.118 1.00 0.00 N ATOM 203 CA ALA A 17 -4.411 -15.947 3.245 1.00 0.00 C ATOM 204 C ALA A 17 -5.120 -15.367 4.471 1.00 0.00 C ATOM 205 O ALA A 17 -4.516 -14.633 5.252 1.00 0.00 O ATOM 206 CB ALA A 17 -4.784 -15.215 1.955 1.00 0.00 C ATOM 0 H ALA A 17 -5.046 -17.639 2.186 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.339 -15.819 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.533 -14.159 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.232 -15.645 1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.854 -15.318 1.774 1.00 0.00 H new ATOM 212 N GLY A 18 -6.390 -15.719 4.601 1.00 0.00 N ATOM 213 CA GLY A 18 -7.188 -15.242 5.719 1.00 0.00 C ATOM 214 C GLY A 18 -6.357 -15.192 7.003 1.00 0.00 C ATOM 215 O GLY A 18 -6.635 -14.391 7.895 1.00 0.00 O ATOM 0 H GLY A 18 -6.887 -16.329 3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.578 -14.249 5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.047 -15.897 5.863 1.00 0.00 H new ATOM 219 N LEU A 19 -5.355 -16.057 7.056 1.00 0.00 N ATOM 220 CA LEU A 19 -4.483 -16.121 8.216 1.00 0.00 C ATOM 221 C LEU A 19 -3.367 -15.085 8.067 1.00 0.00 C ATOM 222 O LEU A 19 -3.144 -14.274 8.965 1.00 0.00 O ATOM 223 CB LEU A 19 -3.973 -17.548 8.425 1.00 0.00 C ATOM 224 CG LEU A 19 -5.023 -18.582 8.836 1.00 0.00 C ATOM 225 CD1 LEU A 19 -6.016 -18.836 7.700 1.00 0.00 C ATOM 226 CD2 LEU A 19 -4.361 -19.875 9.318 1.00 0.00 C ATOM 0 H LEU A 19 -5.128 -16.719 6.314 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.035 -15.869 9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.504 -17.884 7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.195 -17.526 9.188 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.589 -18.178 9.675 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.752 -19.575 8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.523 -17.905 7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.482 -19.209 6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.130 -20.593 9.604 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.754 -20.294 8.516 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.727 -19.660 10.178 1.00 0.00 H new ATOM 238 N HIS A 20 -2.695 -15.146 6.927 1.00 0.00 N ATOM 239 CA HIS A 20 -1.607 -14.223 6.649 1.00 0.00 C ATOM 240 C HIS A 20 -2.129 -13.050 5.816 1.00 0.00 C ATOM 241 O HIS A 20 -2.097 -11.905 6.262 1.00 0.00 O ATOM 242 CB HIS A 20 -0.436 -14.948 5.983 1.00 0.00 C ATOM 243 CG HIS A 20 -0.731 -15.436 4.585 1.00 0.00 C ATOM 244 ND1 HIS A 20 -0.517 -14.660 3.459 1.00 0.00 N ATOM 245 CD2 HIS A 20 -1.225 -16.628 4.142 1.00 0.00 C ATOM 246 CE1 HIS A 20 -0.870 -15.363 2.393 1.00 0.00 C ATOM 247 NE2 HIS A 20 -1.309 -16.582 2.818 1.00 0.00 N ATOM 0 H HIS A 20 -2.883 -15.820 6.185 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.222 -13.817 7.584 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.422 -14.276 5.949 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.150 -15.799 6.601 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.501 -17.467 4.763 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.819 -15.029 1.367 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.646 -17.334 2.218 1.00 0.00 H new ATOM 255 N GLY A 21 -2.599 -13.377 4.621 1.00 0.00 N ATOM 256 CA GLY A 21 -3.127 -12.366 3.722 1.00 0.00 C ATOM 257 C GLY A 21 -2.136 -12.061 2.597 1.00 0.00 C ATOM 258 O GLY A 21 -1.029 -11.589 2.851 1.00 0.00 O ATOM 0 H GLY A 21 -2.625 -14.329 4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.070 -12.709 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.341 -11.454 4.280 1.00 0.00 H new ATOM 262 N ASN A 22 -2.570 -12.343 1.377 1.00 0.00 N ATOM 263 CA ASN A 22 -1.735 -12.104 0.212 1.00 0.00 C ATOM 264 C ASN A 22 -1.975 -10.682 -0.299 1.00 0.00 C ATOM 265 O ASN A 22 -2.595 -10.491 -1.344 1.00 0.00 O ATOM 266 CB ASN A 22 -2.076 -13.077 -0.918 1.00 0.00 C ATOM 267 CG ASN A 22 -1.086 -14.243 -0.956 1.00 0.00 C ATOM 268 OD1 ASN A 22 0.121 -14.065 -0.997 1.00 0.00 O ATOM 269 ND2 ASN A 22 -1.661 -15.442 -0.940 1.00 0.00 N ATOM 0 H ASN A 22 -3.489 -12.735 1.170 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.695 -12.244 0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.088 -13.459 -0.781 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.060 -12.551 -1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.086 -16.284 -0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.677 -15.520 -0.905 1.00 0.00 H new ATOM 276 N TRP A 23 -1.470 -9.721 0.460 1.00 0.00 N ATOM 277 CA TRP A 23 -1.621 -8.323 0.097 1.00 0.00 C ATOM 278 C TRP A 23 -0.224 -7.731 -0.097 1.00 0.00 C ATOM 279 O TRP A 23 0.408 -7.294 0.864 1.00 0.00 O ATOM 280 CB TRP A 23 -2.449 -7.571 1.141 1.00 0.00 C ATOM 281 CG TRP A 23 -3.953 -7.840 1.053 1.00 0.00 C ATOM 282 CD1 TRP A 23 -4.777 -8.249 2.028 1.00 0.00 C ATOM 283 CD2 TRP A 23 -4.784 -7.700 -0.118 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.072 -8.382 1.573 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.077 -8.038 0.226 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.455 -7.301 -1.426 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.144 -8.012 -0.681 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.532 -7.281 -2.320 1.00 0.00 C ATOM 289 CH2 TRP A 23 -6.839 -7.618 -1.989 1.00 0.00 C ATOM 0 H TRP A 23 -0.955 -9.883 1.326 1.00 0.00 H new ATOM 0 HA TRP A 23 -2.173 -8.225 -0.838 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.098 -7.847 2.136 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.274 -6.501 1.027 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.466 -8.449 3.043 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.878 -8.678 2.123 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.451 -7.031 -1.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.148 -8.281 -0.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.333 -6.983 -3.339 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.616 -7.576 -2.738 1.00 0.00 H new ATOM 300 N THR A 24 0.218 -7.735 -1.346 1.00 0.00 N ATOM 301 CA THR A 24 1.529 -7.203 -1.678 1.00 0.00 C ATOM 302 C THR A 24 1.416 -5.745 -2.125 1.00 0.00 C ATOM 303 O THR A 24 0.376 -5.326 -2.631 1.00 0.00 O ATOM 304 CB THR A 24 2.156 -8.116 -2.734 1.00 0.00 C ATOM 305 OG1 THR A 24 1.453 -7.796 -3.931 1.00 0.00 O ATOM 306 CG2 THR A 24 1.834 -9.593 -2.497 1.00 0.00 C ATOM 0 H THR A 24 -0.308 -8.098 -2.141 1.00 0.00 H new ATOM 0 HA THR A 24 2.184 -7.192 -0.807 1.00 0.00 H new ATOM 0 HB THR A 24 3.237 -7.976 -2.739 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.796 -8.498 -4.122 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.303 -10.197 -3.274 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.215 -9.897 -1.522 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.754 -9.739 -2.526 1.00 0.00 H new ATOM 314 N LEU A 25 2.500 -5.011 -1.923 1.00 0.00 N ATOM 315 CA LEU A 25 2.536 -3.608 -2.300 1.00 0.00 C ATOM 316 C LEU A 25 1.739 -3.411 -3.591 1.00 0.00 C ATOM 317 O LEU A 25 0.977 -2.454 -3.714 1.00 0.00 O ATOM 318 CB LEU A 25 3.981 -3.113 -2.387 1.00 0.00 C ATOM 319 CG LEU A 25 4.612 -2.652 -1.072 1.00 0.00 C ATOM 320 CD1 LEU A 25 6.127 -2.870 -1.085 1.00 0.00 C ATOM 321 CD2 LEU A 25 4.245 -1.198 -0.768 1.00 0.00 C ATOM 0 H LEU A 25 3.361 -5.362 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 25 2.060 -2.995 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.594 -3.914 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.019 -2.285 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 25 4.205 -3.262 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.551 -2.534 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.341 -3.930 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.569 -2.301 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.706 -0.895 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.605 -0.556 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.162 -1.105 -0.687 1.00 0.00 H new ATOM 333 N GLU A 26 1.943 -4.332 -4.521 1.00 0.00 N ATOM 334 CA GLU A 26 1.253 -4.272 -5.798 1.00 0.00 C ATOM 335 C GLU A 26 -0.246 -4.510 -5.604 1.00 0.00 C ATOM 336 O GLU A 26 -1.055 -3.610 -5.822 1.00 0.00 O ATOM 337 CB GLU A 26 1.845 -5.276 -6.789 1.00 0.00 C ATOM 338 CG GLU A 26 3.132 -4.736 -7.415 1.00 0.00 C ATOM 339 CD GLU A 26 3.733 -5.748 -8.393 1.00 0.00 C ATOM 340 OE1 GLU A 26 4.272 -6.762 -7.900 1.00 0.00 O ATOM 341 OE2 GLU A 26 3.640 -5.484 -9.611 1.00 0.00 O ATOM 0 H GLU A 26 2.577 -5.124 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 26 1.391 -3.275 -6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.052 -6.217 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.118 -5.491 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.923 -3.802 -7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.855 -4.509 -6.631 1.00 0.00 H new ATOM 348 N ASN A 27 -0.570 -5.728 -5.196 1.00 0.00 N ATOM 349 CA ASN A 27 -1.958 -6.097 -4.970 1.00 0.00 C ATOM 350 C ASN A 27 -2.681 -4.941 -4.278 1.00 0.00 C ATOM 351 O ASN A 27 -3.635 -4.386 -4.821 1.00 0.00 O ATOM 352 CB ASN A 27 -2.060 -7.328 -4.068 1.00 0.00 C ATOM 353 CG ASN A 27 -1.332 -8.523 -4.686 1.00 0.00 C ATOM 354 OD1 ASN A 27 -0.493 -9.158 -4.069 1.00 0.00 O ATOM 355 ND2 ASN A 27 -1.699 -8.794 -5.935 1.00 0.00 N ATOM 0 H ASN A 27 0.104 -6.472 -5.016 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.410 -6.320 -5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.633 -7.103 -3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.108 -7.580 -3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.271 -9.574 -6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.408 -8.222 -6.394 1.00 0.00 H new ATOM 362 N ALA A 28 -2.200 -4.611 -3.088 1.00 0.00 N ATOM 363 CA ALA A 28 -2.790 -3.531 -2.315 1.00 0.00 C ATOM 364 C ALA A 28 -3.163 -2.383 -3.255 1.00 0.00 C ATOM 365 O ALA A 28 -4.324 -1.980 -3.318 1.00 0.00 O ATOM 366 CB ALA A 28 -1.814 -3.095 -1.221 1.00 0.00 C ATOM 0 H ALA A 28 -1.408 -5.073 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.704 -3.865 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.256 -2.285 -0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.603 -3.939 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.886 -2.750 -1.677 1.00 0.00 H new ATOM 372 N LYS A 29 -2.158 -1.888 -3.961 1.00 0.00 N ATOM 373 CA LYS A 29 -2.367 -0.794 -4.894 1.00 0.00 C ATOM 374 C LYS A 29 -3.581 -1.102 -5.772 1.00 0.00 C ATOM 375 O LYS A 29 -4.619 -0.452 -5.653 1.00 0.00 O ATOM 376 CB LYS A 29 -1.089 -0.516 -5.689 1.00 0.00 C ATOM 377 CG LYS A 29 -1.363 0.440 -6.852 1.00 0.00 C ATOM 378 CD LYS A 29 -0.158 1.346 -7.112 1.00 0.00 C ATOM 379 CE LYS A 29 -0.554 2.822 -7.031 1.00 0.00 C ATOM 380 NZ LYS A 29 0.217 3.620 -8.011 1.00 0.00 N ATOM 0 H LYS A 29 -1.197 -2.224 -3.906 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.588 0.128 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.333 -0.087 -5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.683 -1.453 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.593 -0.132 -7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.239 1.049 -6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.624 1.135 -6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.258 1.131 -8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.621 2.929 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.373 3.198 -6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.064 4.619 -7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.233 3.531 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.024 3.271 -8.971 1.00 0.00 H new ATOM 394 N ALA A 30 -3.412 -2.094 -6.634 1.00 0.00 N ATOM 395 CA ALA A 30 -4.481 -2.496 -7.532 1.00 0.00 C ATOM 396 C ALA A 30 -5.800 -2.546 -6.757 1.00 0.00 C ATOM 397 O ALA A 30 -6.714 -1.770 -7.030 1.00 0.00 O ATOM 398 CB ALA A 30 -4.131 -3.840 -8.173 1.00 0.00 C ATOM 0 H ALA A 30 -2.550 -2.631 -6.729 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.599 -1.771 -8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.933 -4.142 -8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.202 -3.744 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.008 -4.593 -7.395 1.00 0.00 H new ATOM 404 N ARG A 31 -5.856 -3.467 -5.806 1.00 0.00 N ATOM 405 CA ARG A 31 -7.047 -3.628 -4.989 1.00 0.00 C ATOM 406 C ARG A 31 -7.654 -2.263 -4.661 1.00 0.00 C ATOM 407 O ARG A 31 -8.809 -1.998 -4.991 1.00 0.00 O ATOM 408 CB ARG A 31 -6.726 -4.363 -3.686 1.00 0.00 C ATOM 409 CG ARG A 31 -7.978 -4.515 -2.820 1.00 0.00 C ATOM 410 CD ARG A 31 -9.194 -4.881 -3.674 1.00 0.00 C ATOM 411 NE ARG A 31 -10.393 -5.012 -2.816 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.605 -5.363 -3.268 1.00 0.00 C ATOM 413 NH1 ARG A 31 -11.786 -5.621 -4.570 1.00 0.00 N ATOM 414 NH2 ARG A 31 -12.636 -5.457 -2.417 1.00 0.00 N ATOM 0 H ARG A 31 -5.096 -4.109 -5.583 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.763 -4.220 -5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.314 -5.346 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.962 -3.816 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.813 -5.286 -2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.171 -3.584 -2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.361 -4.115 -4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.010 -5.817 -4.202 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.291 -4.823 -1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.001 -5.550 -5.218 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.709 -5.888 -4.914 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.498 -5.261 -1.425 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.558 -5.724 -2.761 1.00 0.00 H new ATOM 428 N LEU A 32 -6.849 -1.433 -4.015 1.00 0.00 N ATOM 429 CA LEU A 32 -7.292 -0.101 -3.638 1.00 0.00 C ATOM 430 C LEU A 32 -8.098 0.507 -4.787 1.00 0.00 C ATOM 431 O LEU A 32 -9.226 0.957 -4.590 1.00 0.00 O ATOM 432 CB LEU A 32 -6.103 0.756 -3.200 1.00 0.00 C ATOM 433 CG LEU A 32 -6.445 2.034 -2.431 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.338 1.728 -1.227 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.175 2.785 -2.025 1.00 0.00 C ATOM 0 H LEU A 32 -5.892 -1.657 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.954 -0.150 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.450 0.145 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.532 1.031 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.011 2.690 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.566 2.654 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.265 1.268 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.820 1.044 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.446 3.689 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.563 2.147 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.611 3.055 -2.918 1.00 0.00 H new ATOM 447 N ASN A 33 -7.488 0.503 -5.963 1.00 0.00 N ATOM 448 CA ASN A 33 -8.134 1.049 -7.144 1.00 0.00 C ATOM 449 C ASN A 33 -9.447 0.304 -7.392 1.00 0.00 C ATOM 450 O ASN A 33 -10.457 0.916 -7.735 1.00 0.00 O ATOM 451 CB ASN A 33 -7.253 0.878 -8.383 1.00 0.00 C ATOM 452 CG ASN A 33 -7.786 1.707 -9.554 1.00 0.00 C ATOM 453 OD1 ASN A 33 -8.911 2.178 -9.553 1.00 0.00 O ATOM 454 ND2 ASN A 33 -6.918 1.857 -10.550 1.00 0.00 N ATOM 0 H ASN A 33 -6.552 0.130 -6.123 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.311 2.111 -6.971 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.232 1.182 -8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.216 -0.174 -8.665 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.179 2.393 -11.377 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.991 1.436 -10.487 1.00 0.00 H new ATOM 461 N GLN A 34 -9.391 -1.007 -7.209 1.00 0.00 N ATOM 462 CA GLN A 34 -10.563 -1.842 -7.408 1.00 0.00 C ATOM 463 C GLN A 34 -11.688 -1.410 -6.466 1.00 0.00 C ATOM 464 O GLN A 34 -12.844 -1.314 -6.877 1.00 0.00 O ATOM 465 CB GLN A 34 -10.222 -3.321 -7.214 1.00 0.00 C ATOM 466 CG GLN A 34 -10.047 -4.025 -8.561 1.00 0.00 C ATOM 467 CD GLN A 34 -11.404 -4.356 -9.187 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.198 -5.109 -8.648 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.624 -3.753 -10.351 1.00 0.00 N ATOM 0 H GLN A 34 -8.551 -1.512 -6.925 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.906 -1.714 -8.435 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.306 -3.413 -6.630 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.013 -3.809 -6.645 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.476 -3.388 -9.237 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.472 -4.941 -8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.916 -3.134 -10.747 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.501 -3.909 -10.849 1.00 0.00 H new ATOM 478 N TYR A 35 -11.312 -1.162 -5.220 1.00 0.00 N ATOM 479 CA TYR A 35 -12.275 -0.743 -4.216 1.00 0.00 C ATOM 480 C TYR A 35 -12.936 0.579 -4.609 1.00 0.00 C ATOM 481 O TYR A 35 -14.101 0.814 -4.290 1.00 0.00 O ATOM 482 CB TYR A 35 -11.478 -0.537 -2.927 1.00 0.00 C ATOM 483 CG TYR A 35 -12.289 0.079 -1.785 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.254 -0.670 -1.142 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.056 1.383 -1.399 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.017 -0.090 -0.067 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.820 1.963 -0.325 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.763 1.198 0.288 1.00 0.00 C ATOM 489 OH TYR A 35 -14.484 1.746 1.303 1.00 0.00 O ATOM 0 H TYR A 35 -10.353 -1.243 -4.883 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.063 -1.488 -4.106 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.081 -1.498 -2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.623 0.105 -3.139 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.437 -1.690 -1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.301 1.969 -1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.774 -0.665 0.446 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.648 2.983 -0.013 1.00 0.00 H new ATOM 0 HH TYR A 35 -15.120 1.085 1.646 1.00 0.00 H new ATOM 499 N PHE A 36 -12.165 1.408 -5.297 1.00 0.00 N ATOM 500 CA PHE A 36 -12.661 2.701 -5.738 1.00 0.00 C ATOM 501 C PHE A 36 -13.420 2.575 -7.060 1.00 0.00 C ATOM 502 O PHE A 36 -14.225 3.440 -7.403 1.00 0.00 O ATOM 503 CB PHE A 36 -11.442 3.601 -5.947 1.00 0.00 C ATOM 504 CG PHE A 36 -10.658 3.894 -4.666 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.303 3.941 -3.469 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.316 4.106 -4.724 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.575 4.213 -2.281 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.588 4.378 -3.535 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.233 4.425 -2.338 1.00 0.00 C ATOM 0 H PHE A 36 -11.200 1.209 -5.560 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.345 3.110 -4.995 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.775 3.130 -6.669 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.770 4.544 -6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.369 3.771 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.804 4.068 -5.674 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.087 4.252 -1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.522 4.548 -3.581 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.680 4.631 -1.434 1.00 0.00 H new ATOM 519 N GLN A 37 -13.137 1.491 -7.767 1.00 0.00 N ATOM 520 CA GLN A 37 -13.783 1.241 -9.045 1.00 0.00 C ATOM 521 C GLN A 37 -15.091 0.475 -8.837 1.00 0.00 C ATOM 522 O GLN A 37 -16.032 0.625 -9.615 1.00 0.00 O ATOM 523 CB GLN A 37 -12.849 0.486 -9.993 1.00 0.00 C ATOM 524 CG GLN A 37 -11.897 1.447 -10.706 1.00 0.00 C ATOM 525 CD GLN A 37 -12.158 1.460 -12.213 1.00 0.00 C ATOM 526 OE1 GLN A 37 -13.003 0.748 -12.729 1.00 0.00 O ATOM 527 NE2 GLN A 37 -11.387 2.308 -12.889 1.00 0.00 N ATOM 0 H GLN A 37 -12.469 0.776 -7.479 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.016 2.200 -9.507 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.274 -0.251 -9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.437 -0.061 -10.729 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.021 2.452 -10.303 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.865 1.151 -10.515 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.698 2.876 -12.395 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.485 2.390 -13.901 1.00 0.00 H new ATOM 536 N LYS A 38 -15.108 -0.328 -7.784 1.00 0.00 N ATOM 537 CA LYS A 38 -16.285 -1.118 -7.465 1.00 0.00 C ATOM 538 C LYS A 38 -17.316 -0.230 -6.765 1.00 0.00 C ATOM 539 O LYS A 38 -18.465 -0.147 -7.196 1.00 0.00 O ATOM 540 CB LYS A 38 -15.896 -2.359 -6.659 1.00 0.00 C ATOM 541 CG LYS A 38 -16.000 -3.623 -7.515 1.00 0.00 C ATOM 542 CD LYS A 38 -17.457 -4.062 -7.669 1.00 0.00 C ATOM 543 CE LYS A 38 -17.877 -4.981 -6.521 1.00 0.00 C ATOM 544 NZ LYS A 38 -19.261 -5.465 -6.723 1.00 0.00 N ATOM 0 H LYS A 38 -14.326 -0.449 -7.141 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.751 -1.491 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.877 -2.251 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.546 -2.450 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.566 -3.438 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.421 -4.425 -7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.104 -3.185 -7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.586 -4.579 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.195 -5.829 -6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.808 -4.445 -5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.530 -6.088 -5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.911 -4.654 -6.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.317 -5.994 -7.616 1.00 0.00 H new ATOM 558 N GLU A 39 -16.868 0.412 -5.696 1.00 0.00 N ATOM 559 CA GLU A 39 -17.736 1.292 -4.932 1.00 0.00 C ATOM 560 C GLU A 39 -17.965 2.601 -5.690 1.00 0.00 C ATOM 561 O GLU A 39 -18.881 3.356 -5.368 1.00 0.00 O ATOM 562 CB GLU A 39 -17.160 1.557 -3.540 1.00 0.00 C ATOM 563 CG GLU A 39 -17.648 0.511 -2.535 1.00 0.00 C ATOM 564 CD GLU A 39 -19.047 0.857 -2.020 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.970 0.888 -2.863 1.00 0.00 O ATOM 566 OE2 GLU A 39 -19.162 1.082 -0.796 1.00 0.00 O ATOM 0 H GLU A 39 -15.915 0.340 -5.341 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.699 0.798 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.071 1.543 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.452 2.552 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.663 -0.472 -3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.952 0.453 -1.698 1.00 0.00 H new ATOM 573 N LYS A 40 -17.117 2.830 -6.681 1.00 0.00 N ATOM 574 CA LYS A 40 -17.215 4.035 -7.487 1.00 0.00 C ATOM 575 C LYS A 40 -16.641 5.216 -6.703 1.00 0.00 C ATOM 576 O LYS A 40 -16.934 6.371 -7.009 1.00 0.00 O ATOM 577 CB LYS A 40 -18.656 4.250 -7.956 1.00 0.00 C ATOM 578 CG LYS A 40 -19.270 2.942 -8.459 1.00 0.00 C ATOM 579 CD LYS A 40 -18.808 2.632 -9.884 1.00 0.00 C ATOM 580 CE LYS A 40 -19.691 3.342 -10.913 1.00 0.00 C ATOM 581 NZ LYS A 40 -18.912 4.362 -11.649 1.00 0.00 N ATOM 0 H LYS A 40 -16.358 2.201 -6.945 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.620 3.936 -8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.254 4.645 -7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.676 4.995 -8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.988 2.125 -7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.357 3.013 -8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.772 2.946 -10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.838 1.556 -10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.101 2.614 -11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.536 3.813 -10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.526 4.834 -12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.542 5.066 -10.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.120 3.904 -12.143 1.00 0.00 H new ATOM 595 N ILE A 41 -15.833 4.887 -5.706 1.00 0.00 N ATOM 596 CA ILE A 41 -15.214 5.906 -4.875 1.00 0.00 C ATOM 597 C ILE A 41 -14.008 6.494 -5.610 1.00 0.00 C ATOM 598 O ILE A 41 -13.525 5.914 -6.581 1.00 0.00 O ATOM 599 CB ILE A 41 -14.877 5.340 -3.495 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.144 4.903 -2.756 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.053 6.339 -2.679 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.857 3.722 -1.827 1.00 0.00 C ATOM 0 H ILE A 41 -15.592 3.928 -5.455 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.910 6.726 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.262 4.451 -3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.538 5.738 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.912 4.625 -3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.827 5.912 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.123 6.558 -3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.622 7.260 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.774 3.431 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.486 2.880 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.106 4.012 -1.092 1.00 0.00 H new ATOM 614 N GLN A 42 -13.558 7.639 -5.119 1.00 0.00 N ATOM 615 CA GLN A 42 -12.417 8.313 -5.717 1.00 0.00 C ATOM 616 C GLN A 42 -11.421 8.733 -4.635 1.00 0.00 C ATOM 617 O GLN A 42 -11.807 9.325 -3.628 1.00 0.00 O ATOM 618 CB GLN A 42 -12.866 9.517 -6.548 1.00 0.00 C ATOM 619 CG GLN A 42 -13.539 9.068 -7.846 1.00 0.00 C ATOM 620 CD GLN A 42 -13.723 10.247 -8.805 1.00 0.00 C ATOM 621 OE1 GLN A 42 -14.709 10.964 -8.764 1.00 0.00 O ATOM 622 NE2 GLN A 42 -12.722 10.405 -9.666 1.00 0.00 N ATOM 0 H GLN A 42 -13.962 8.117 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.918 7.615 -6.389 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -13.559 10.126 -5.967 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.006 10.145 -6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.936 8.296 -8.324 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.508 8.622 -7.622 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.926 9.768 -9.645 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.750 11.164 -10.347 1.00 0.00 H new ATOM 631 N GLY A 43 -10.160 8.411 -4.879 1.00 0.00 N ATOM 632 CA GLY A 43 -9.105 8.749 -3.938 1.00 0.00 C ATOM 633 C GLY A 43 -7.795 9.051 -4.667 1.00 0.00 C ATOM 634 O GLY A 43 -7.333 8.250 -5.479 1.00 0.00 O ATOM 0 H GLY A 43 -9.844 7.919 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.404 9.615 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.956 7.924 -3.242 1.00 0.00 H new ATOM 638 N GLU A 44 -7.232 10.208 -4.351 1.00 0.00 N ATOM 639 CA GLU A 44 -5.984 10.626 -4.967 1.00 0.00 C ATOM 640 C GLU A 44 -4.834 10.512 -3.964 1.00 0.00 C ATOM 641 O GLU A 44 -5.060 10.482 -2.755 1.00 0.00 O ATOM 642 CB GLU A 44 -6.093 12.050 -5.516 1.00 0.00 C ATOM 643 CG GLU A 44 -6.083 13.077 -4.383 1.00 0.00 C ATOM 644 CD GLU A 44 -5.947 14.499 -4.932 1.00 0.00 C ATOM 645 OE1 GLU A 44 -4.873 14.786 -5.503 1.00 0.00 O ATOM 646 OE2 GLU A 44 -6.920 15.266 -4.769 1.00 0.00 O ATOM 0 H GLU A 44 -7.617 10.869 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.776 9.963 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.264 12.246 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.011 12.151 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.003 12.994 -3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.258 12.865 -3.703 1.00 0.00 H new ATOM 653 N TYR A 45 -3.625 10.452 -4.503 1.00 0.00 N ATOM 654 CA TYR A 45 -2.439 10.342 -3.671 1.00 0.00 C ATOM 655 C TYR A 45 -1.664 11.660 -3.644 1.00 0.00 C ATOM 656 O TYR A 45 -1.327 12.208 -4.693 1.00 0.00 O ATOM 657 CB TYR A 45 -1.567 9.264 -4.319 1.00 0.00 C ATOM 658 CG TYR A 45 -2.136 7.849 -4.201 1.00 0.00 C ATOM 659 CD1 TYR A 45 -3.096 7.415 -5.093 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.690 7.007 -3.203 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.632 6.083 -4.982 1.00 0.00 C ATOM 662 CE2 TYR A 45 -2.225 5.675 -3.092 1.00 0.00 C ATOM 663 CZ TYR A 45 -3.170 5.278 -3.987 1.00 0.00 C ATOM 664 OH TYR A 45 -3.676 4.020 -3.882 1.00 0.00 O ATOM 0 H TYR A 45 -3.441 10.478 -5.506 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.712 10.097 -2.645 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.434 9.504 -5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.579 9.286 -3.860 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.445 8.074 -5.874 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.939 7.347 -2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.384 5.731 -5.673 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.884 5.006 -2.316 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.989 3.369 -4.136 1.00 0.00 H new ATOM 674 N LYS A 46 -1.404 12.132 -2.434 1.00 0.00 N ATOM 675 CA LYS A 46 -0.675 13.377 -2.256 1.00 0.00 C ATOM 676 C LYS A 46 0.806 13.067 -2.025 1.00 0.00 C ATOM 677 O LYS A 46 1.192 12.644 -0.936 1.00 0.00 O ATOM 678 CB LYS A 46 -1.309 14.216 -1.145 1.00 0.00 C ATOM 679 CG LYS A 46 -1.085 15.709 -1.390 1.00 0.00 C ATOM 680 CD LYS A 46 0.068 16.239 -0.535 1.00 0.00 C ATOM 681 CE LYS A 46 0.138 17.766 -0.594 1.00 0.00 C ATOM 682 NZ LYS A 46 0.889 18.296 0.566 1.00 0.00 N ATOM 0 H LYS A 46 -1.685 11.675 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.737 13.987 -3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.378 14.009 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.882 13.934 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.868 15.879 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.997 16.260 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.063 15.917 0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.009 15.815 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.620 18.078 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.869 18.182 -0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.927 19.334 0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.413 18.014 1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.856 17.913 0.558 1.00 0.00 H new ATOM 696 N TYR A 47 1.594 13.289 -3.066 1.00 0.00 N ATOM 697 CA TYR A 47 3.023 13.039 -2.990 1.00 0.00 C ATOM 698 C TYR A 47 3.776 14.292 -2.537 1.00 0.00 C ATOM 699 O TYR A 47 3.629 15.357 -3.134 1.00 0.00 O ATOM 700 CB TYR A 47 3.465 12.678 -4.409 1.00 0.00 C ATOM 701 CG TYR A 47 2.717 11.485 -5.009 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.111 10.199 -4.704 1.00 0.00 C ATOM 703 CD2 TYR A 47 1.648 11.697 -5.856 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.407 9.076 -5.268 1.00 0.00 C ATOM 705 CE2 TYR A 47 0.944 10.574 -6.421 1.00 0.00 C ATOM 706 CZ TYR A 47 1.359 9.320 -6.099 1.00 0.00 C ATOM 707 OH TYR A 47 0.694 8.260 -6.633 1.00 0.00 O ATOM 0 H TYR A 47 1.270 13.640 -3.967 1.00 0.00 H new ATOM 0 HA TYR A 47 3.236 12.247 -2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.323 13.545 -5.054 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.533 12.458 -4.401 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.948 10.034 -4.042 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.339 12.704 -6.095 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.705 8.064 -5.036 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.106 10.725 -7.085 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.032 8.584 -7.206 1.00 0.00 H new ATOM 717 N THR A 48 4.565 14.122 -1.487 1.00 0.00 N ATOM 718 CA THR A 48 5.341 15.226 -0.948 1.00 0.00 C ATOM 719 C THR A 48 6.836 14.983 -1.166 1.00 0.00 C ATOM 720 O THR A 48 7.439 14.151 -0.490 1.00 0.00 O ATOM 721 CB THR A 48 4.962 15.395 0.525 1.00 0.00 C ATOM 722 OG1 THR A 48 3.649 15.947 0.483 1.00 0.00 O ATOM 723 CG2 THR A 48 5.796 16.471 1.224 1.00 0.00 C ATOM 0 H THR A 48 4.684 13.237 -0.995 1.00 0.00 H new ATOM 0 HA THR A 48 5.116 16.158 -1.466 1.00 0.00 H new ATOM 0 HB THR A 48 5.087 14.445 1.044 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.324 16.088 1.397 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.487 16.551 2.266 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.851 16.201 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.645 17.429 0.726 1.00 0.00 H new ATOM 731 N GLN A 49 7.391 15.726 -2.112 1.00 0.00 N ATOM 732 CA GLN A 49 8.804 15.603 -2.428 1.00 0.00 C ATOM 733 C GLN A 49 9.650 16.288 -1.354 1.00 0.00 C ATOM 734 O GLN A 49 9.322 17.387 -0.907 1.00 0.00 O ATOM 735 CB GLN A 49 9.108 16.176 -3.814 1.00 0.00 C ATOM 736 CG GLN A 49 10.586 15.996 -4.169 1.00 0.00 C ATOM 737 CD GLN A 49 10.928 16.719 -5.474 1.00 0.00 C ATOM 738 OE1 GLN A 49 10.362 17.746 -5.811 1.00 0.00 O ATOM 739 NE2 GLN A 49 11.883 16.128 -6.185 1.00 0.00 N ATOM 0 H GLN A 49 6.888 16.416 -2.670 1.00 0.00 H new ATOM 0 HA GLN A 49 9.061 14.544 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.488 15.680 -4.561 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.851 17.235 -3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.207 16.382 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.814 14.935 -4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.315 15.269 -5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.184 16.533 -7.071 1.00 0.00 H new ATOM 748 N VAL A 50 10.723 15.612 -0.969 1.00 0.00 N ATOM 749 CA VAL A 50 11.618 16.143 0.045 1.00 0.00 C ATOM 750 C VAL A 50 13.012 15.541 -0.147 1.00 0.00 C ATOM 751 O VAL A 50 13.199 14.650 -0.974 1.00 0.00 O ATOM 752 CB VAL A 50 11.042 15.885 1.438 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.794 16.735 1.681 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.742 14.398 1.641 1.00 0.00 C ATOM 0 H VAL A 50 10.992 14.701 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 50 11.713 17.224 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 50 11.794 16.177 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.404 16.532 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.052 17.791 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.035 16.488 0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.334 14.242 2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.017 14.068 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.662 13.823 1.531 1.00 0.00 H new ATOM 764 N GLY A 51 13.954 16.052 0.632 1.00 0.00 N ATOM 765 CA GLY A 51 15.325 15.576 0.558 1.00 0.00 C ATOM 766 C GLY A 51 16.072 16.233 -0.604 1.00 0.00 C ATOM 767 O GLY A 51 15.487 16.999 -1.369 1.00 0.00 O ATOM 0 H GLY A 51 13.795 16.791 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.840 15.792 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.331 14.493 0.433 1.00 0.00 H new ATOM 771 N PRO A 52 17.388 15.902 -0.703 1.00 0.00 N ATOM 772 CA PRO A 52 18.221 16.452 -1.759 1.00 0.00 C ATOM 773 C PRO A 52 17.916 15.783 -3.101 1.00 0.00 C ATOM 774 O PRO A 52 17.613 14.592 -3.151 1.00 0.00 O ATOM 775 CB PRO A 52 19.649 16.223 -1.292 1.00 0.00 C ATOM 776 CG PRO A 52 19.571 15.146 -0.222 1.00 0.00 C ATOM 777 CD PRO A 52 18.114 14.999 0.185 1.00 0.00 C ATOM 0 HA PRO A 52 18.038 17.513 -1.931 1.00 0.00 H new ATOM 0 HB2 PRO A 52 20.284 15.906 -2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 52 20.081 17.140 -0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.958 14.201 -0.603 1.00 0.00 H new ATOM 0 HG3 PRO A 52 20.182 15.418 0.639 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.772 13.970 0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.966 15.268 1.231 1.00 0.00 H new ATOM 785 N ASP A 53 18.007 16.579 -4.156 1.00 0.00 N ATOM 786 CA ASP A 53 17.745 16.080 -5.496 1.00 0.00 C ATOM 787 C ASP A 53 18.435 14.726 -5.674 1.00 0.00 C ATOM 788 O ASP A 53 17.816 13.765 -6.130 1.00 0.00 O ATOM 789 CB ASP A 53 18.295 17.035 -6.557 1.00 0.00 C ATOM 790 CG ASP A 53 17.909 16.692 -7.997 1.00 0.00 C ATOM 791 OD1 ASP A 53 16.689 16.583 -8.247 1.00 0.00 O ATOM 792 OD2 ASP A 53 18.842 16.547 -8.816 1.00 0.00 O ATOM 0 H ASP A 53 18.259 17.566 -4.110 1.00 0.00 H new ATOM 0 HA ASP A 53 16.666 15.990 -5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 53 17.946 18.043 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 53 19.382 17.050 -6.482 1.00 0.00 H new ATOM 797 N HIS A 54 19.707 14.693 -5.306 1.00 0.00 N ATOM 798 CA HIS A 54 20.488 13.473 -5.420 1.00 0.00 C ATOM 799 C HIS A 54 19.701 12.303 -4.826 1.00 0.00 C ATOM 800 O HIS A 54 19.800 11.175 -5.308 1.00 0.00 O ATOM 801 CB HIS A 54 21.865 13.647 -4.778 1.00 0.00 C ATOM 802 CG HIS A 54 21.957 13.118 -3.367 1.00 0.00 C ATOM 803 ND1 HIS A 54 21.918 11.841 -2.889 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 22.105 13.943 -2.265 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 22.038 11.883 -1.568 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 22.153 13.186 -1.179 1.00 0.00 N flip ATOM 0 H HIS A 54 20.217 15.492 -4.928 1.00 0.00 H new ATOM 0 HA HIS A 54 20.668 13.249 -6.472 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.608 13.140 -5.394 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.122 14.706 -4.775 1.00 0.00 H new ATOM 0 HD2 HIS A 54 22.170 15.021 -2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.044 11.027 -0.909 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.258 13.519 -0.220 1.00 0.00 H new ATOM 814 N ASN A 55 18.936 12.611 -3.789 1.00 0.00 N ATOM 815 CA ASN A 55 18.132 11.600 -3.125 1.00 0.00 C ATOM 816 C ASN A 55 16.842 12.238 -2.608 1.00 0.00 C ATOM 817 O ASN A 55 16.775 12.667 -1.457 1.00 0.00 O ATOM 818 CB ASN A 55 18.877 11.003 -1.929 1.00 0.00 C ATOM 819 CG ASN A 55 19.320 9.568 -2.219 1.00 0.00 C ATOM 820 OD1 ASN A 55 18.468 8.641 -1.789 1.00 0.00 O flip ATOM 821 ND2 ASN A 55 20.366 9.318 -2.795 1.00 0.00 N flip ATOM 0 H ASN A 55 18.856 13.547 -3.392 1.00 0.00 H new ATOM 0 HA ASN A 55 17.918 10.812 -3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 55 19.748 11.616 -1.696 1.00 0.00 H new ATOM 0 HB3 ASN A 55 18.232 11.018 -1.050 1.00 0.00 H new ATOM 0 HD21 ASN A 55 20.975 10.078 -3.099 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.632 8.349 -2.973 1.00 0.00 H new ATOM 828 N ARG A 56 15.848 12.280 -3.483 1.00 0.00 N ATOM 829 CA ARG A 56 14.563 12.859 -3.129 1.00 0.00 C ATOM 830 C ARG A 56 13.588 11.762 -2.698 1.00 0.00 C ATOM 831 O ARG A 56 13.629 10.649 -3.219 1.00 0.00 O ATOM 832 CB ARG A 56 13.964 13.631 -4.307 1.00 0.00 C ATOM 833 CG ARG A 56 14.700 14.954 -4.527 1.00 0.00 C ATOM 834 CD ARG A 56 13.996 16.101 -3.799 1.00 0.00 C ATOM 835 NE ARG A 56 14.773 17.350 -3.953 1.00 0.00 N ATOM 836 CZ ARG A 56 14.512 18.484 -3.289 1.00 0.00 C ATOM 837 NH1 ARG A 56 13.491 18.533 -2.422 1.00 0.00 N ATOM 838 NH2 ARG A 56 15.271 19.570 -3.491 1.00 0.00 N ATOM 0 H ARG A 56 15.907 11.922 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 56 14.726 13.550 -2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 56 14.021 13.024 -5.211 1.00 0.00 H new ATOM 0 HB3 ARG A 56 12.908 13.825 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.726 14.867 -4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.751 15.173 -5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.992 16.236 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.887 15.859 -2.742 1.00 0.00 H new ATOM 0 HE ARG A 56 15.557 17.348 -4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.913 17.707 -2.268 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.292 19.396 -1.916 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.048 19.534 -4.151 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.072 20.433 -2.985 1.00 0.00 H new ATOM 852 N SER A 57 12.733 12.115 -1.749 1.00 0.00 N ATOM 853 CA SER A 57 11.749 11.175 -1.241 1.00 0.00 C ATOM 854 C SER A 57 10.351 11.792 -1.310 1.00 0.00 C ATOM 855 O SER A 57 10.055 12.749 -0.596 1.00 0.00 O ATOM 856 CB SER A 57 12.074 10.758 0.195 1.00 0.00 C ATOM 857 OG SER A 57 13.221 11.437 0.701 1.00 0.00 O ATOM 0 H SER A 57 12.702 13.039 -1.319 1.00 0.00 H new ATOM 0 HA SER A 57 11.777 10.282 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.217 10.966 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.245 9.682 0.230 1.00 0.00 H new ATOM 0 HG SER A 57 13.395 11.145 1.620 1.00 0.00 H new ATOM 863 N PHE A 58 9.528 11.219 -2.176 1.00 0.00 N ATOM 864 CA PHE A 58 8.168 11.701 -2.348 1.00 0.00 C ATOM 865 C PHE A 58 7.204 10.969 -1.412 1.00 0.00 C ATOM 866 O PHE A 58 6.814 9.834 -1.680 1.00 0.00 O ATOM 867 CB PHE A 58 7.770 11.412 -3.797 1.00 0.00 C ATOM 868 CG PHE A 58 8.479 12.296 -4.825 1.00 0.00 C ATOM 869 CD1 PHE A 58 9.809 12.132 -5.061 1.00 0.00 C ATOM 870 CD2 PHE A 58 7.780 13.245 -5.503 1.00 0.00 C ATOM 871 CE1 PHE A 58 10.467 12.953 -6.015 1.00 0.00 C ATOM 872 CE2 PHE A 58 8.438 14.065 -6.458 1.00 0.00 C ATOM 873 CZ PHE A 58 9.767 13.902 -6.693 1.00 0.00 C ATOM 0 H PHE A 58 9.777 10.425 -2.766 1.00 0.00 H new ATOM 0 HA PHE A 58 8.119 12.765 -2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.986 10.367 -4.021 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.693 11.544 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.364 11.378 -4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.724 13.375 -5.315 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.523 12.824 -6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.883 14.818 -6.997 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.267 14.526 -7.418 1.00 0.00 H new ATOM 883 N ILE A 59 6.848 11.649 -0.332 1.00 0.00 N ATOM 884 CA ILE A 59 5.938 11.078 0.646 1.00 0.00 C ATOM 885 C ILE A 59 4.529 11.019 0.051 1.00 0.00 C ATOM 886 O ILE A 59 3.910 12.053 -0.191 1.00 0.00 O ATOM 887 CB ILE A 59 6.016 11.849 1.965 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.256 11.443 2.765 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.730 11.679 2.777 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.876 12.653 3.467 1.00 0.00 C ATOM 0 H ILE A 59 7.174 12.590 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 59 6.228 10.055 0.884 1.00 0.00 H new ATOM 0 HB ILE A 59 6.114 12.910 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.986 10.689 3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.990 10.989 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.812 12.237 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.884 12.056 2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.577 10.623 2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.755 12.337 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.167 13.395 2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.148 13.090 4.150 1.00 0.00 H new ATOM 902 N ALA A 60 4.065 9.797 -0.167 1.00 0.00 N ATOM 903 CA ALA A 60 2.741 9.589 -0.728 1.00 0.00 C ATOM 904 C ALA A 60 1.748 9.316 0.404 1.00 0.00 C ATOM 905 O ALA A 60 1.808 8.269 1.047 1.00 0.00 O ATOM 906 CB ALA A 60 2.792 8.449 -1.747 1.00 0.00 C ATOM 0 H ALA A 60 4.582 8.941 0.035 1.00 0.00 H new ATOM 0 HA ALA A 60 2.403 10.482 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.799 8.293 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.488 8.705 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.125 7.535 -1.255 1.00 0.00 H new ATOM 912 N GLU A 61 0.859 10.276 0.613 1.00 0.00 N ATOM 913 CA GLU A 61 -0.145 10.152 1.656 1.00 0.00 C ATOM 914 C GLU A 61 -1.545 10.108 1.042 1.00 0.00 C ATOM 915 O GLU A 61 -1.840 10.849 0.105 1.00 0.00 O ATOM 916 CB GLU A 61 -0.026 11.291 2.670 1.00 0.00 C ATOM 917 CG GLU A 61 -0.352 12.638 2.022 1.00 0.00 C ATOM 918 CD GLU A 61 0.200 13.796 2.855 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.444 13.911 2.913 1.00 0.00 O ATOM 920 OE2 GLU A 61 -0.633 14.541 3.415 1.00 0.00 O ATOM 0 H GLU A 61 0.813 11.143 0.078 1.00 0.00 H new ATOM 0 HA GLU A 61 0.026 9.217 2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.703 11.112 3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.984 11.315 3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.071 12.674 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.432 12.743 1.917 1.00 0.00 H new ATOM 927 N MET A 62 -2.372 9.233 1.595 1.00 0.00 N ATOM 928 CA MET A 62 -3.735 9.084 1.114 1.00 0.00 C ATOM 929 C MET A 62 -4.704 8.849 2.275 1.00 0.00 C ATOM 930 O MET A 62 -4.370 8.160 3.238 1.00 0.00 O ATOM 931 CB MET A 62 -3.807 7.904 0.143 1.00 0.00 C ATOM 932 CG MET A 62 -5.259 7.523 -0.152 1.00 0.00 C ATOM 933 SD MET A 62 -5.316 6.259 -1.411 1.00 0.00 S ATOM 934 CE MET A 62 -5.361 7.281 -2.874 1.00 0.00 C ATOM 0 H MET A 62 -2.124 8.620 2.372 1.00 0.00 H new ATOM 0 HA MET A 62 -4.023 10.004 0.605 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.299 8.162 -0.786 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.282 7.048 0.566 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.741 7.164 0.757 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.814 8.401 -0.482 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.524 6.654 -3.751 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.173 8.003 -2.788 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.414 7.810 -2.977 1.00 0.00 H new ATOM 944 N THR A 63 -5.885 9.435 2.145 1.00 0.00 N ATOM 945 CA THR A 63 -6.905 9.298 3.171 1.00 0.00 C ATOM 946 C THR A 63 -8.237 8.879 2.547 1.00 0.00 C ATOM 947 O THR A 63 -8.678 9.469 1.562 1.00 0.00 O ATOM 948 CB THR A 63 -6.983 10.619 3.939 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.630 11.065 4.002 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.378 10.422 5.404 1.00 0.00 C ATOM 0 H THR A 63 -6.158 10.006 1.345 1.00 0.00 H new ATOM 0 HA THR A 63 -6.651 8.508 3.878 1.00 0.00 H new ATOM 0 HB THR A 63 -7.703 11.278 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.185 10.653 4.772 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.419 11.390 5.903 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.357 9.945 5.456 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.640 9.790 5.898 1.00 0.00 H new ATOM 958 N ILE A 64 -8.841 7.864 3.146 1.00 0.00 N ATOM 959 CA ILE A 64 -10.115 7.359 2.661 1.00 0.00 C ATOM 960 C ILE A 64 -11.079 7.204 3.838 1.00 0.00 C ATOM 961 O ILE A 64 -10.650 7.029 4.978 1.00 0.00 O ATOM 962 CB ILE A 64 -9.910 6.071 1.860 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.853 5.180 2.515 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.574 6.381 0.400 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.935 3.749 1.979 1.00 0.00 C ATOM 0 H ILE A 64 -8.472 7.377 3.963 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.568 8.069 1.969 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.847 5.514 1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.860 5.587 2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.994 5.176 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.433 5.449 -0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.391 6.946 -0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.658 6.970 0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.173 3.136 2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.921 3.336 2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.769 3.754 0.902 1.00 0.00 H new ATOM 977 N TYR A 65 -12.364 7.273 3.522 1.00 0.00 N ATOM 978 CA TYR A 65 -13.393 7.143 4.540 1.00 0.00 C ATOM 979 C TYR A 65 -14.322 5.966 4.234 1.00 0.00 C ATOM 980 O TYR A 65 -14.752 5.791 3.095 1.00 0.00 O ATOM 981 CB TYR A 65 -14.201 8.441 4.492 1.00 0.00 C ATOM 982 CG TYR A 65 -15.466 8.419 5.352 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.596 7.769 4.900 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.477 9.050 6.580 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.787 7.748 5.710 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.667 9.029 7.389 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.764 8.379 6.914 1.00 0.00 C ATOM 988 OH TYR A 65 -18.888 8.360 7.679 1.00 0.00 O ATOM 0 H TYR A 65 -12.716 7.417 2.576 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.945 6.966 5.518 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.566 9.264 4.819 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.480 8.645 3.458 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.588 7.276 3.939 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.593 9.559 6.933 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.678 7.242 5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.689 9.518 8.352 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.725 8.850 8.512 1.00 0.00 H new ATOM 998 N ILE A 66 -14.603 5.190 5.270 1.00 0.00 N ATOM 999 CA ILE A 66 -15.473 4.035 5.125 1.00 0.00 C ATOM 1000 C ILE A 66 -16.790 4.300 5.857 1.00 0.00 C ATOM 1001 O ILE A 66 -16.813 4.405 7.083 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.757 2.764 5.587 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.312 2.736 5.085 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.534 1.514 5.169 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.260 2.828 3.559 1.00 0.00 C ATOM 0 H ILE A 66 -14.244 5.338 6.213 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.718 3.871 4.076 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.719 2.770 6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.755 3.565 5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.827 1.817 5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.003 0.625 5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.528 1.537 5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.625 1.488 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.222 2.806 3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.797 1.984 3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.724 3.759 3.235 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.855 4.399 5.075 1.00 0.00 N ATOM 1018 CA LYS A 67 -19.173 4.649 5.634 1.00 0.00 C ATOM 1019 C LYS A 67 -19.647 3.405 6.388 1.00 0.00 C ATOM 1020 O LYS A 67 -20.335 3.514 7.402 1.00 0.00 O ATOM 1021 CB LYS A 67 -20.139 5.111 4.541 1.00 0.00 C ATOM 1022 CG LYS A 67 -20.080 4.181 3.328 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.576 4.926 2.090 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.480 4.661 0.884 1.00 0.00 C ATOM 1025 NZ LYS A 67 -19.970 5.370 -0.311 1.00 0.00 N ATOM 0 H LYS A 67 -17.832 4.311 4.059 1.00 0.00 H new ATOM 0 HA LYS A 67 -19.132 5.464 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -21.155 5.136 4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.890 6.128 4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.422 3.339 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -21.070 3.770 3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.541 5.996 2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.558 4.612 1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -20.528 3.590 0.686 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -21.496 4.990 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.595 5.180 -1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.947 6.393 -0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.009 5.036 -0.529 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.260 2.251 5.863 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.637 0.988 6.474 1.00 0.00 C ATOM 1041 C GLN A 68 -19.224 0.966 7.947 1.00 0.00 C ATOM 1042 O GLN A 68 -19.893 0.349 8.775 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.026 -0.192 5.716 1.00 0.00 C ATOM 1044 CG GLN A 68 -18.772 -1.374 6.653 1.00 0.00 C ATOM 1045 CD GLN A 68 -18.866 -2.702 5.899 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -19.937 -3.233 5.658 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.689 -3.206 5.542 1.00 0.00 N ATOM 0 H GLN A 68 -18.690 2.165 5.022 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.721 0.890 6.419 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.695 -0.498 4.912 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -18.089 0.116 5.251 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.785 -1.278 7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.498 -1.361 7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.829 -2.709 5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.645 -4.090 5.034 1.00 0.00 H new ATOM 1056 N LEU A 69 -18.123 1.647 8.230 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.612 1.714 9.588 1.00 0.00 C ATOM 1058 C LEU A 69 -17.981 3.066 10.202 1.00 0.00 C ATOM 1059 O LEU A 69 -18.218 3.162 11.405 1.00 0.00 O ATOM 1060 CB LEU A 69 -16.111 1.417 9.612 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.672 0.127 8.917 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -14.237 -0.242 9.301 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.653 -1.012 9.204 1.00 0.00 C ATOM 0 H LEU A 69 -17.571 2.157 7.541 1.00 0.00 H new ATOM 0 HA LEU A 69 -18.075 0.945 10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.588 2.253 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.785 1.375 10.651 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.683 0.298 7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.950 -1.163 8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.563 0.561 9.004 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.175 -0.388 10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.317 -1.917 8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.698 -1.192 10.278 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.644 -0.739 8.840 1.00 0.00 H new ATOM 1075 N GLY A 70 -18.018 4.078 9.346 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.354 5.420 9.789 1.00 0.00 C ATOM 1077 C GLY A 70 -17.095 6.206 10.162 1.00 0.00 C ATOM 1078 O GLY A 70 -17.181 7.275 10.764 1.00 0.00 O ATOM 0 H GLY A 70 -17.821 3.995 8.349 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.893 5.943 8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -19.022 5.366 10.649 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.954 5.645 9.789 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.679 6.280 10.076 1.00 0.00 C ATOM 1084 C ARG A 71 -13.841 6.390 8.801 1.00 0.00 C ATOM 1085 O ARG A 71 -14.312 6.059 7.714 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.895 5.490 11.127 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.835 4.005 10.764 1.00 0.00 C ATOM 1088 CD ARG A 71 -12.395 3.490 10.799 1.00 0.00 C ATOM 1089 NE ARG A 71 -11.675 3.915 9.578 1.00 0.00 N ATOM 1090 CZ ARG A 71 -11.742 3.272 8.404 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -12.497 2.171 8.285 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -11.055 3.730 7.349 1.00 0.00 N ATOM 0 H ARG A 71 -15.886 4.758 9.291 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.885 7.277 10.466 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.884 5.889 11.208 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.365 5.611 12.103 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -14.447 3.432 11.460 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.255 3.853 9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.885 3.872 11.683 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.391 2.403 10.874 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.091 4.750 9.633 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -13.021 1.822 9.088 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.548 1.682 7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.481 4.568 7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.106 3.240 6.456 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.613 6.856 8.976 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.705 7.014 7.853 1.00 0.00 C ATOM 1108 C ARG A 72 -10.267 6.724 8.288 1.00 0.00 C ATOM 1109 O ARG A 72 -9.898 6.977 9.434 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.781 8.430 7.278 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.790 9.476 8.395 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.558 10.379 8.310 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.958 10.545 9.653 1.00 0.00 N ATOM 1114 CZ ARG A 72 -10.517 11.254 10.643 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -11.692 11.868 10.447 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -9.900 11.350 11.829 1.00 0.00 N ATOM 0 H ARG A 72 -12.226 7.129 9.879 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.005 6.304 7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.931 8.605 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.681 8.532 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.694 10.081 8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.814 8.978 9.364 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.827 9.947 7.627 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.837 11.352 7.905 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.063 10.091 9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.161 11.796 9.544 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.117 12.408 11.201 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.005 10.883 11.978 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.325 11.890 12.583 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.494 6.197 7.350 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.105 5.870 7.622 1.00 0.00 C ATOM 1132 C ILE A 73 -7.199 6.753 6.760 1.00 0.00 C ATOM 1133 O ILE A 73 -7.563 7.117 5.643 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.861 4.371 7.435 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.212 3.932 6.012 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.614 3.557 8.489 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.708 2.514 5.736 1.00 0.00 C ATOM 0 H ILE A 73 -9.803 5.988 6.401 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.861 6.082 8.663 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.798 4.177 7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.292 3.972 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.771 4.625 5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.423 2.495 8.333 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.273 3.845 9.483 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.683 3.750 8.402 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.970 2.226 4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.625 2.483 5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.169 1.821 6.439 1.00 0.00 H new ATOM 1149 N PHE A 74 -6.038 7.071 7.312 1.00 0.00 N ATOM 1150 CA PHE A 74 -5.078 7.904 6.608 1.00 0.00 C ATOM 1151 C PHE A 74 -3.730 7.192 6.473 1.00 0.00 C ATOM 1152 O PHE A 74 -3.362 6.384 7.325 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.890 9.173 7.442 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.631 9.968 7.091 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.415 9.547 7.533 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.727 11.095 6.337 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.247 10.285 7.207 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.558 11.833 6.011 1.00 0.00 C ATOM 1159 CZ PHE A 74 -1.343 11.412 6.453 1.00 0.00 C ATOM 0 H PHE A 74 -5.740 6.767 8.239 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.443 8.127 5.605 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.761 9.815 7.310 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.853 8.900 8.497 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.338 8.651 8.132 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.692 11.429 5.986 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.282 9.951 7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.634 12.728 5.412 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.454 11.973 6.205 1.00 0.00 H new ATOM 1169 N ALA A 75 -3.030 7.519 5.396 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.731 6.921 5.139 1.00 0.00 C ATOM 1171 C ALA A 75 -0.735 8.019 4.761 1.00 0.00 C ATOM 1172 O ALA A 75 -1.131 9.092 4.307 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.866 5.856 4.048 1.00 0.00 C ATOM 0 H ALA A 75 -3.338 8.190 4.692 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.353 6.426 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.892 5.407 3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.562 5.084 4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.241 6.317 3.134 1.00 0.00 H new ATOM 1179 N ARG A 76 0.538 7.713 4.961 1.00 0.00 N ATOM 1180 CA ARG A 76 1.594 8.661 4.647 1.00 0.00 C ATOM 1181 C ARG A 76 2.961 7.979 4.729 1.00 0.00 C ATOM 1182 O ARG A 76 3.633 8.048 5.757 1.00 0.00 O ATOM 1183 CB ARG A 76 1.568 9.853 5.607 1.00 0.00 C ATOM 1184 CG ARG A 76 2.478 10.978 5.109 1.00 0.00 C ATOM 1185 CD ARG A 76 3.503 11.366 6.176 1.00 0.00 C ATOM 1186 NE ARG A 76 3.206 12.720 6.694 1.00 0.00 N ATOM 1187 CZ ARG A 76 2.264 12.984 7.610 1.00 0.00 C ATOM 1188 NH1 ARG A 76 1.522 11.988 8.114 1.00 0.00 N ATOM 1189 NH2 ARG A 76 2.064 14.243 8.022 1.00 0.00 N ATOM 0 H ARG A 76 0.863 6.822 5.337 1.00 0.00 H new ATOM 0 HA ARG A 76 1.424 9.022 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.547 10.223 5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.889 9.533 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.994 10.660 4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.876 11.847 4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.483 10.643 6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.507 11.342 5.753 1.00 0.00 H new ATOM 0 HE ARG A 76 3.752 13.501 6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.674 11.029 7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.805 12.189 8.811 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.629 15.001 7.638 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.347 14.444 8.719 1.00 0.00 H new ATOM 1203 N GLU A 77 3.333 7.337 3.631 1.00 0.00 N ATOM 1204 CA GLU A 77 4.608 6.643 3.566 1.00 0.00 C ATOM 1205 C GLU A 77 5.614 7.458 2.751 1.00 0.00 C ATOM 1206 O GLU A 77 5.291 8.538 2.259 1.00 0.00 O ATOM 1207 CB GLU A 77 4.439 5.239 2.982 1.00 0.00 C ATOM 1208 CG GLU A 77 3.454 4.414 3.813 1.00 0.00 C ATOM 1209 CD GLU A 77 4.148 3.794 5.028 1.00 0.00 C ATOM 1210 OE1 GLU A 77 4.813 4.562 5.755 1.00 0.00 O ATOM 1211 OE2 GLU A 77 3.997 2.565 5.201 1.00 0.00 O ATOM 0 H GLU A 77 2.774 7.283 2.780 1.00 0.00 H new ATOM 0 HA GLU A 77 4.993 6.535 4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.083 5.309 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.405 4.735 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.631 5.048 4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.022 3.627 3.195 1.00 0.00 H new ATOM 1218 N HIS A 78 6.815 6.910 2.634 1.00 0.00 N ATOM 1219 CA HIS A 78 7.871 7.573 1.888 1.00 0.00 C ATOM 1220 C HIS A 78 8.611 6.548 1.026 1.00 0.00 C ATOM 1221 O HIS A 78 9.519 5.869 1.505 1.00 0.00 O ATOM 1222 CB HIS A 78 8.802 8.340 2.828 1.00 0.00 C ATOM 1223 CG HIS A 78 9.142 7.596 4.098 1.00 0.00 C ATOM 1224 ND1 HIS A 78 9.324 6.224 4.137 1.00 0.00 N ATOM 1225 CD2 HIS A 78 9.331 8.046 5.371 1.00 0.00 C ATOM 1226 CE1 HIS A 78 9.609 5.875 5.383 1.00 0.00 C ATOM 1227 NE2 HIS A 78 9.613 7.006 6.146 1.00 0.00 N ATOM 0 H HIS A 78 7.080 6.014 3.043 1.00 0.00 H new ATOM 0 HA HIS A 78 7.437 8.315 1.217 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.725 8.573 2.298 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.336 9.290 3.089 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.251 5.590 3.342 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.263 9.074 5.694 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.804 4.872 5.733 1.00 0.00 H new ATOM 1235 N GLY A 79 8.197 6.468 -0.230 1.00 0.00 N ATOM 1236 CA GLY A 79 8.809 5.537 -1.162 1.00 0.00 C ATOM 1237 C GLY A 79 9.877 6.233 -2.009 1.00 0.00 C ATOM 1238 O GLY A 79 10.107 7.432 -1.862 1.00 0.00 O ATOM 0 H GLY A 79 7.445 7.033 -0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.257 4.709 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.044 5.112 -1.812 1.00 0.00 H new ATOM 1242 N SER A 80 10.500 5.450 -2.878 1.00 0.00 N ATOM 1243 CA SER A 80 11.537 5.976 -3.749 1.00 0.00 C ATOM 1244 C SER A 80 10.923 6.925 -4.780 1.00 0.00 C ATOM 1245 O SER A 80 11.317 8.087 -4.871 1.00 0.00 O ATOM 1246 CB SER A 80 12.292 4.846 -4.452 1.00 0.00 C ATOM 1247 OG SER A 80 13.037 4.051 -3.534 1.00 0.00 O ATOM 0 H SER A 80 10.306 4.456 -2.997 1.00 0.00 H new ATOM 0 HA SER A 80 12.250 6.527 -3.136 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.583 4.214 -4.987 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.967 5.269 -5.196 1.00 0.00 H new ATOM 0 HG SER A 80 13.503 3.340 -4.021 1.00 0.00 H new ATOM 1253 N ASN A 81 9.969 6.396 -5.531 1.00 0.00 N ATOM 1254 CA ASN A 81 9.297 7.181 -6.552 1.00 0.00 C ATOM 1255 C ASN A 81 7.785 7.119 -6.324 1.00 0.00 C ATOM 1256 O ASN A 81 7.309 6.342 -5.498 1.00 0.00 O ATOM 1257 CB ASN A 81 9.587 6.632 -7.950 1.00 0.00 C ATOM 1258 CG ASN A 81 9.243 5.143 -8.036 1.00 0.00 C ATOM 1259 OD1 ASN A 81 8.153 4.711 -7.699 1.00 0.00 O ATOM 1260 ND2 ASN A 81 10.230 4.386 -8.506 1.00 0.00 N ATOM 0 H ASN A 81 9.645 5.432 -5.453 1.00 0.00 H new ATOM 0 HA ASN A 81 9.663 8.205 -6.484 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.009 7.186 -8.689 1.00 0.00 H new ATOM 0 HB3 ASN A 81 10.639 6.780 -8.192 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.099 3.379 -8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.118 4.812 -8.770 1.00 0.00 H new ATOM 1267 N LYS A 82 7.072 7.949 -7.072 1.00 0.00 N ATOM 1268 CA LYS A 82 5.624 7.998 -6.962 1.00 0.00 C ATOM 1269 C LYS A 82 5.078 6.575 -6.830 1.00 0.00 C ATOM 1270 O LYS A 82 4.372 6.263 -5.872 1.00 0.00 O ATOM 1271 CB LYS A 82 5.024 8.780 -8.132 1.00 0.00 C ATOM 1272 CG LYS A 82 5.086 10.287 -7.873 1.00 0.00 C ATOM 1273 CD LYS A 82 4.135 11.043 -8.803 1.00 0.00 C ATOM 1274 CE LYS A 82 3.871 12.458 -8.285 1.00 0.00 C ATOM 1275 NZ LYS A 82 4.251 13.462 -9.304 1.00 0.00 N ATOM 0 H LYS A 82 7.470 8.592 -7.756 1.00 0.00 H new ATOM 0 HA LYS A 82 5.329 8.538 -6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.564 8.542 -9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.988 8.476 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.825 10.492 -6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.105 10.643 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.563 11.092 -9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.193 10.500 -8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.816 12.568 -8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.437 12.628 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.065 14.417 -8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.263 13.367 -9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.692 13.309 -10.168 1.00 0.00 H new ATOM 1289 N LYS A 83 5.425 5.749 -7.806 1.00 0.00 N ATOM 1290 CA LYS A 83 4.979 4.366 -7.810 1.00 0.00 C ATOM 1291 C LYS A 83 5.110 3.788 -6.400 1.00 0.00 C ATOM 1292 O LYS A 83 4.110 3.572 -5.718 1.00 0.00 O ATOM 1293 CB LYS A 83 5.729 3.564 -8.876 1.00 0.00 C ATOM 1294 CG LYS A 83 4.753 2.892 -9.844 1.00 0.00 C ATOM 1295 CD LYS A 83 4.676 3.658 -11.166 1.00 0.00 C ATOM 1296 CE LYS A 83 4.530 2.699 -12.348 1.00 0.00 C ATOM 1297 NZ LYS A 83 3.596 3.253 -13.353 1.00 0.00 N ATOM 0 H LYS A 83 6.010 6.011 -8.600 1.00 0.00 H new ATOM 0 HA LYS A 83 3.925 4.307 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.398 4.223 -9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.350 2.807 -8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.070 1.866 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.763 2.841 -9.391 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.830 4.345 -11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.574 4.263 -11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.504 2.525 -12.805 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.165 1.733 -11.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.509 2.589 -14.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.663 3.396 -12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.960 4.163 -13.700 1.00 0.00 H new ATOM 1311 N LEU A 84 6.353 3.552 -6.005 1.00 0.00 N ATOM 1312 CA LEU A 84 6.628 3.003 -4.688 1.00 0.00 C ATOM 1313 C LEU A 84 5.692 3.649 -3.665 1.00 0.00 C ATOM 1314 O LEU A 84 4.749 3.015 -3.193 1.00 0.00 O ATOM 1315 CB LEU A 84 8.111 3.152 -4.344 1.00 0.00 C ATOM 1316 CG LEU A 84 9.047 2.098 -4.939 1.00 0.00 C ATOM 1317 CD1 LEU A 84 8.753 0.713 -4.359 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.980 2.104 -6.468 1.00 0.00 C ATOM 0 H LEU A 84 7.180 3.731 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 84 6.427 1.932 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.444 4.135 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.216 3.131 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 84 10.069 2.354 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.432 -0.017 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.893 0.734 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.724 0.434 -4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.655 1.346 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.961 1.887 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.276 3.084 -6.841 1.00 0.00 H new ATOM 1330 N ALA A 85 5.984 4.902 -3.351 1.00 0.00 N ATOM 1331 CA ALA A 85 5.181 5.641 -2.392 1.00 0.00 C ATOM 1332 C ALA A 85 3.718 5.211 -2.521 1.00 0.00 C ATOM 1333 O ALA A 85 3.150 4.643 -1.589 1.00 0.00 O ATOM 1334 CB ALA A 85 5.369 7.143 -2.618 1.00 0.00 C ATOM 0 H ALA A 85 6.767 5.425 -3.744 1.00 0.00 H new ATOM 0 HA ALA A 85 5.501 5.422 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.766 7.697 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.420 7.402 -2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.055 7.401 -3.629 1.00 0.00 H new ATOM 1340 N ALA A 86 3.150 5.498 -3.683 1.00 0.00 N ATOM 1341 CA ALA A 86 1.764 5.149 -3.946 1.00 0.00 C ATOM 1342 C ALA A 86 1.480 3.753 -3.386 1.00 0.00 C ATOM 1343 O ALA A 86 0.554 3.574 -2.597 1.00 0.00 O ATOM 1344 CB ALA A 86 1.490 5.241 -5.448 1.00 0.00 C ATOM 0 H ALA A 86 3.625 5.969 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 86 1.091 5.848 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.450 4.979 -5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.679 6.258 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.145 4.551 -5.980 1.00 0.00 H new ATOM 1350 N GLN A 87 2.295 2.801 -3.816 1.00 0.00 N ATOM 1351 CA GLN A 87 2.143 1.427 -3.368 1.00 0.00 C ATOM 1352 C GLN A 87 2.056 1.373 -1.841 1.00 0.00 C ATOM 1353 O GLN A 87 0.995 1.094 -1.285 1.00 0.00 O ATOM 1354 CB GLN A 87 3.287 0.552 -3.884 1.00 0.00 C ATOM 1355 CG GLN A 87 2.825 -0.325 -5.049 1.00 0.00 C ATOM 1356 CD GLN A 87 3.848 -1.422 -5.349 1.00 0.00 C ATOM 1357 OE1 GLN A 87 3.578 -2.606 -5.236 1.00 0.00 O ATOM 1358 NE2 GLN A 87 5.034 -0.963 -5.738 1.00 0.00 N ATOM 0 H GLN A 87 3.063 2.954 -4.470 1.00 0.00 H new ATOM 0 HA GLN A 87 1.214 1.032 -3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.115 1.183 -4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.661 -0.077 -3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.862 -0.776 -4.809 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.676 0.291 -5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.193 0.042 -5.811 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.785 -1.616 -5.963 1.00 0.00 H new ATOM 1367 N SER A 88 3.187 1.646 -1.207 1.00 0.00 N ATOM 1368 CA SER A 88 3.252 1.632 0.245 1.00 0.00 C ATOM 1369 C SER A 88 1.996 2.279 0.831 1.00 0.00 C ATOM 1370 O SER A 88 1.400 1.749 1.767 1.00 0.00 O ATOM 1371 CB SER A 88 4.505 2.354 0.746 1.00 0.00 C ATOM 1372 OG SER A 88 5.679 1.564 0.580 1.00 0.00 O ATOM 0 H SER A 88 4.065 1.878 -1.671 1.00 0.00 H new ATOM 0 HA SER A 88 3.306 0.595 0.576 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.622 3.294 0.207 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.382 2.604 1.800 1.00 0.00 H new ATOM 0 HG SER A 88 6.457 2.061 0.910 1.00 0.00 H new ATOM 1378 N CYS A 89 1.631 3.416 0.257 1.00 0.00 N ATOM 1379 CA CYS A 89 0.457 4.141 0.711 1.00 0.00 C ATOM 1380 C CYS A 89 -0.738 3.185 0.683 1.00 0.00 C ATOM 1381 O CYS A 89 -1.360 2.933 1.714 1.00 0.00 O ATOM 1382 CB CYS A 89 0.205 5.394 -0.130 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.675 6.651 0.868 1.00 0.00 S ATOM 0 H CYS A 89 2.128 3.853 -0.519 1.00 0.00 H new ATOM 0 HA CYS A 89 0.616 4.494 1.730 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.152 5.799 -0.487 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.385 5.139 -1.010 1.00 0.00 H new ATOM 0 HG CYS A 89 0.164 7.568 1.248 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.023 2.680 -0.508 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.132 1.758 -0.684 1.00 0.00 C ATOM 1391 C ALA A 90 -2.154 0.766 0.480 1.00 0.00 C ATOM 1392 O ALA A 90 -3.091 0.759 1.277 1.00 0.00 O ATOM 1393 CB ALA A 90 -2.008 1.063 -2.041 1.00 0.00 C ATOM 0 H ALA A 90 -0.505 2.892 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.081 2.294 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.840 0.371 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.027 1.809 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.068 0.512 -2.083 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.111 -0.049 0.541 1.00 0.00 N ATOM 1400 CA LEU A 91 -0.999 -1.043 1.594 1.00 0.00 C ATOM 1401 C LEU A 91 -1.504 -0.447 2.909 1.00 0.00 C ATOM 1402 O LEU A 91 -2.427 -0.980 3.523 1.00 0.00 O ATOM 1403 CB LEU A 91 0.431 -1.582 1.673 1.00 0.00 C ATOM 1404 CG LEU A 91 0.662 -2.964 1.058 1.00 0.00 C ATOM 1405 CD1 LEU A 91 2.157 -3.263 0.927 1.00 0.00 C ATOM 1406 CD2 LEU A 91 -0.072 -4.047 1.851 1.00 0.00 C ATOM 0 H LEU A 91 -0.336 -0.041 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.628 -1.905 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.094 -0.871 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.727 -1.619 2.721 1.00 0.00 H new ATOM 0 HG LEU A 91 0.244 -2.964 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.293 -4.251 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.623 -2.514 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.621 -3.238 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.109 -5.019 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.293 -4.056 2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.142 -3.838 1.848 1.00 0.00 H new ATOM 1418 N SER A 92 -0.877 0.652 3.303 1.00 0.00 N ATOM 1419 CA SER A 92 -1.252 1.327 4.534 1.00 0.00 C ATOM 1420 C SER A 92 -2.770 1.282 4.714 1.00 0.00 C ATOM 1421 O SER A 92 -3.263 0.845 5.753 1.00 0.00 O ATOM 1422 CB SER A 92 -0.759 2.776 4.540 1.00 0.00 C ATOM 1423 OG SER A 92 -0.608 3.283 5.863 1.00 0.00 O ATOM 0 H SER A 92 -0.112 1.092 2.791 1.00 0.00 H new ATOM 0 HA SER A 92 -0.778 0.807 5.367 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.196 2.836 4.018 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.463 3.401 3.990 1.00 0.00 H new ATOM 0 HG SER A 92 -0.290 4.209 5.824 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.470 1.741 3.687 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.923 1.759 3.719 1.00 0.00 C ATOM 1431 C LEU A 93 -5.447 0.322 3.664 1.00 0.00 C ATOM 1432 O LEU A 93 -6.276 -0.071 4.483 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.472 2.657 2.609 1.00 0.00 C ATOM 1434 CG LEU A 93 -4.994 4.110 2.624 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.917 4.647 4.054 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.663 4.257 1.884 1.00 0.00 C ATOM 0 H LEU A 93 -3.058 2.103 2.827 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.279 2.193 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.205 2.217 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.560 2.653 2.670 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.727 4.716 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.575 5.682 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.904 4.599 4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.217 4.043 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.346 5.299 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.908 3.636 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.786 3.940 0.848 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.942 -0.421 2.691 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.349 -1.806 2.519 1.00 0.00 C ATOM 1450 C VAL A 94 -5.289 -2.522 3.869 1.00 0.00 C ATOM 1451 O VAL A 94 -6.322 -2.775 4.488 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.486 -2.475 1.447 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -4.950 -3.910 1.188 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.484 -1.657 0.155 1.00 0.00 C ATOM 0 H VAL A 94 -4.255 -0.091 2.013 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.380 -1.861 2.168 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.462 -2.516 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.321 -4.363 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.875 -4.488 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.986 -3.902 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.863 -2.155 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.503 -1.569 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.084 -0.663 0.354 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.070 -2.830 4.286 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.862 -3.512 5.552 1.00 0.00 C ATOM 1466 C ARG A 95 -4.859 -3.009 6.597 1.00 0.00 C ATOM 1467 O ARG A 95 -5.610 -3.794 7.173 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.438 -3.293 6.068 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.405 -3.807 5.063 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.592 -2.653 4.473 1.00 0.00 C ATOM 1471 NE ARG A 95 0.850 -2.871 4.721 1.00 0.00 N ATOM 1472 CZ ARG A 95 1.398 -2.960 5.941 1.00 0.00 C ATOM 1473 NH1 ARG A 95 0.627 -2.849 7.032 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.717 -3.159 6.071 1.00 0.00 N ATOM 0 H ARG A 95 -3.216 -2.620 3.769 1.00 0.00 H new ATOM 0 HA ARG A 95 -4.015 -4.578 5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.274 -2.231 6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.310 -3.806 7.021 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.736 -4.514 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.909 -4.348 4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.778 -2.577 3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.908 -1.710 4.919 1.00 0.00 H new ATOM 0 HE ARG A 95 1.466 -2.959 3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.377 -2.697 6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.044 -2.917 7.960 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.304 -3.243 5.241 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.133 -3.227 7.000 1.00 0.00 H new ATOM 1488 N GLN A 96 -4.834 -1.701 6.810 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.727 -1.083 7.775 1.00 0.00 C ATOM 1490 C GLN A 96 -7.171 -1.521 7.519 1.00 0.00 C ATOM 1491 O GLN A 96 -7.865 -1.951 8.439 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.602 0.441 7.741 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.604 0.933 8.791 1.00 0.00 C ATOM 1494 CD GLN A 96 -4.688 2.452 8.958 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -4.784 3.118 7.811 1.00 0.00 O flip ATOM 1496 NE2 GLN A 96 -4.667 2.984 10.056 1.00 0.00 N flip ATOM 0 H GLN A 96 -4.209 -1.053 6.331 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.438 -1.416 8.772 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.280 0.761 6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.577 0.894 7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.806 0.447 9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.593 0.651 8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.592 2.413 10.898 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.725 4.000 10.132 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.580 -1.395 6.265 1.00 0.00 N ATOM 1506 CA LEU A 97 -8.928 -1.772 5.877 1.00 0.00 C ATOM 1507 C LEU A 97 -9.229 -3.180 6.395 1.00 0.00 C ATOM 1508 O LEU A 97 -10.233 -3.394 7.072 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.112 -1.620 4.365 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.180 -0.186 3.838 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.866 -0.136 2.342 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.532 0.454 4.162 1.00 0.00 C ATOM 0 H LEU A 97 -7.001 -1.037 5.505 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.657 -1.102 6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.288 -2.131 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.028 -2.136 4.077 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.416 0.401 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.921 0.895 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.863 -0.525 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.590 -0.743 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.554 1.473 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.330 -0.127 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.677 0.472 5.242 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.340 -4.102 6.057 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.498 -5.484 6.480 1.00 0.00 C ATOM 1526 C TYR A 98 -8.571 -5.586 8.004 1.00 0.00 C ATOM 1527 O TYR A 98 -9.504 -6.175 8.547 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.249 -6.220 5.990 1.00 0.00 C ATOM 1529 CG TYR A 98 -6.911 -7.475 6.797 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -7.475 -8.688 6.454 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -6.042 -7.395 7.866 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -7.156 -9.869 7.213 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -5.724 -8.577 8.625 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.297 -9.756 8.261 1.00 0.00 C ATOM 1535 OH TYR A 98 -5.996 -10.872 8.977 1.00 0.00 O ATOM 0 H TYR A 98 -7.508 -3.920 5.495 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.418 -5.907 6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.390 -6.499 4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.400 -5.538 6.026 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.155 -8.751 5.617 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.600 -6.446 8.133 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.590 -10.824 6.956 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.046 -8.528 9.464 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.370 -10.641 9.694 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.574 -5.002 8.653 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.513 -5.019 10.105 1.00 0.00 C ATOM 1547 C HIS A 99 -8.855 -4.561 10.680 1.00 0.00 C ATOM 1548 O HIS A 99 -9.457 -5.260 11.492 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.335 -4.184 10.609 1.00 0.00 C ATOM 1550 CG HIS A 99 -6.735 -3.032 11.500 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -7.563 -3.187 12.599 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.413 -1.708 11.444 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -7.725 -2.002 13.170 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.012 -1.087 12.452 1.00 0.00 N ATOM 0 H HIS A 99 -6.802 -4.514 8.200 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.336 -6.036 10.454 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.651 -4.833 11.156 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.787 -3.793 9.752 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.778 -1.243 10.704 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.317 -1.797 14.049 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.950 -0.090 12.656 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.283 -3.388 10.236 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.542 -2.828 10.696 1.00 0.00 C ATOM 1564 C LEU A 100 -11.676 -3.804 10.378 1.00 0.00 C ATOM 1565 O LEU A 100 -12.505 -4.099 11.238 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.751 -1.429 10.112 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.032 -0.287 10.831 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -9.947 0.955 9.940 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.693 0.017 12.177 1.00 0.00 C ATOM 0 H LEU A 100 -8.780 -2.810 9.563 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.529 -2.697 11.778 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.425 -1.439 9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.820 -1.214 10.109 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.010 -0.605 11.039 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.431 1.752 10.475 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.397 0.713 9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.953 1.285 9.679 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.162 0.833 12.667 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.732 0.305 12.015 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.657 -0.871 12.809 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.677 -4.278 9.141 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.696 -5.214 8.699 1.00 0.00 C ATOM 1583 C GLY A 101 -13.486 -4.648 7.518 1.00 0.00 C ATOM 1584 O GLY A 101 -14.706 -4.514 7.590 1.00 0.00 O ATOM 0 H GLY A 101 -10.988 -4.031 8.431 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.229 -6.156 8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.375 -5.434 9.523 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.757 -4.330 6.458 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.375 -3.780 5.263 1.00 0.00 C ATOM 1590 C VAL A 102 -13.081 -4.698 4.074 1.00 0.00 C ATOM 1591 O VAL A 102 -13.992 -5.088 3.346 1.00 0.00 O ATOM 1592 CB VAL A 102 -12.899 -2.343 5.041 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.502 -1.757 3.763 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.221 -1.466 6.252 1.00 0.00 C ATOM 0 H VAL A 102 -11.745 -4.443 6.402 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.458 -3.735 5.379 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.816 -2.363 4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.148 -0.735 3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.200 -2.361 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.589 -1.757 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.872 -0.450 6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.298 -1.456 6.418 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.722 -1.867 7.134 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.804 -5.016 3.915 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.379 -5.881 2.827 1.00 0.00 C ATOM 1606 C ILE A 103 -11.278 -7.320 3.335 1.00 0.00 C ATOM 1607 O ILE A 103 -11.673 -7.613 4.463 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.084 -5.357 2.202 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.088 -4.930 3.282 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.371 -4.230 1.209 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.678 -4.794 2.704 1.00 0.00 C ATOM 0 H ILE A 103 -11.051 -4.690 4.521 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.118 -5.877 2.026 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.622 -6.170 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.401 -3.980 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.085 -5.662 4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.434 -3.876 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.017 -4.602 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.867 -3.408 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.989 -4.490 3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.359 -5.752 2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.680 -4.043 1.914 1.00 0.00 H new ATOM 1623 N GLU A 104 -10.749 -8.181 2.478 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.592 -9.583 2.826 1.00 0.00 C ATOM 1625 C GLU A 104 -9.324 -10.150 2.183 1.00 0.00 C ATOM 1626 O GLU A 104 -8.955 -9.757 1.078 1.00 0.00 O ATOM 1627 CB GLU A 104 -11.824 -10.391 2.415 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.097 -10.250 0.916 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.595 -10.103 0.643 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -14.288 -11.141 0.704 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -14.013 -8.954 0.380 1.00 0.00 O ATOM 0 H GLU A 104 -10.424 -7.935 1.543 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.493 -9.660 3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.674 -11.442 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.692 -10.051 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.566 -9.382 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.712 -11.123 0.389 1.00 0.00 H new ATOM 1638 N ALA A 105 -8.693 -11.066 2.904 1.00 0.00 N ATOM 1639 CA ALA A 105 -7.475 -11.691 2.418 1.00 0.00 C ATOM 1640 C ALA A 105 -7.609 -11.962 0.918 1.00 0.00 C ATOM 1641 O ALA A 105 -8.708 -12.212 0.424 1.00 0.00 O ATOM 1642 CB ALA A 105 -7.201 -12.966 3.218 1.00 0.00 C ATOM 0 H ALA A 105 -9.003 -11.390 3.820 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.621 -11.028 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.287 -13.435 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.085 -12.716 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.036 -13.657 3.099 1.00 0.00 H new ATOM 1648 N TYR A 106 -6.476 -11.903 0.234 1.00 0.00 N ATOM 1649 CA TYR A 106 -6.453 -12.139 -1.199 1.00 0.00 C ATOM 1650 C TYR A 106 -6.192 -13.615 -1.508 1.00 0.00 C ATOM 1651 O TYR A 106 -5.701 -14.354 -0.656 1.00 0.00 O ATOM 1652 CB TYR A 106 -5.294 -11.304 -1.746 1.00 0.00 C ATOM 1653 CG TYR A 106 -5.327 -11.111 -3.263 1.00 0.00 C ATOM 1654 CD1 TYR A 106 -6.523 -11.207 -3.945 1.00 0.00 C ATOM 1655 CD2 TYR A 106 -4.161 -10.840 -3.950 1.00 0.00 C ATOM 1656 CE1 TYR A 106 -6.554 -11.025 -5.373 1.00 0.00 C ATOM 1657 CE2 TYR A 106 -4.192 -10.658 -5.378 1.00 0.00 C ATOM 1658 CZ TYR A 106 -5.387 -10.760 -6.019 1.00 0.00 C ATOM 1659 OH TYR A 106 -5.417 -10.588 -7.368 1.00 0.00 O ATOM 0 H TYR A 106 -5.567 -11.695 0.646 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.410 -11.870 -1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.306 -10.326 -1.265 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.354 -11.782 -1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.436 -11.419 -3.408 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.225 -10.764 -3.416 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -7.483 -11.097 -5.919 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.287 -10.445 -5.927 1.00 0.00 H new ATOM 0 HH TYR A 106 -4.511 -10.404 -7.695 1.00 0.00 H new ATOM 1669 N SER A 107 -6.533 -14.000 -2.729 1.00 0.00 N ATOM 1670 CA SER A 107 -6.342 -15.374 -3.161 1.00 0.00 C ATOM 1671 C SER A 107 -5.503 -15.409 -4.440 1.00 0.00 C ATOM 1672 O SER A 107 -5.689 -16.284 -5.285 1.00 0.00 O ATOM 1673 CB SER A 107 -7.684 -16.072 -3.388 1.00 0.00 C ATOM 1674 OG SER A 107 -7.794 -17.277 -2.635 1.00 0.00 O ATOM 0 H SER A 107 -6.940 -13.384 -3.433 1.00 0.00 H new ATOM 0 HA SER A 107 -5.813 -15.909 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.495 -15.397 -3.113 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.802 -16.295 -4.448 1.00 0.00 H new ATOM 0 HG SER A 107 -8.665 -17.691 -2.806 1.00 0.00 H new ATOM 1680 N SER A 108 -4.598 -14.447 -4.542 1.00 0.00 N ATOM 1681 CA SER A 108 -3.730 -14.356 -5.704 1.00 0.00 C ATOM 1682 C SER A 108 -3.077 -15.713 -5.976 1.00 0.00 C ATOM 1683 O SER A 108 -3.156 -16.232 -7.088 1.00 0.00 O ATOM 1684 CB SER A 108 -2.659 -13.281 -5.509 1.00 0.00 C ATOM 1685 OG SER A 108 -2.572 -12.405 -6.629 1.00 0.00 O ATOM 0 H SER A 108 -4.447 -13.724 -3.839 1.00 0.00 H new ATOM 0 HA SER A 108 -4.337 -14.073 -6.564 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.885 -12.703 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.692 -13.758 -5.346 1.00 0.00 H new ATOM 0 HG SER A 108 -3.389 -11.867 -6.688 1.00 0.00 H new ATOM 1691 N GLY A 109 -2.446 -16.248 -4.941 1.00 0.00 N ATOM 1692 CA GLY A 109 -1.779 -17.534 -5.054 1.00 0.00 C ATOM 1693 C GLY A 109 -0.507 -17.570 -4.205 1.00 0.00 C ATOM 1694 O GLY A 109 0.249 -16.600 -4.173 1.00 0.00 O ATOM 0 H GLY A 109 -2.383 -15.814 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.455 -18.327 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.529 -17.728 -6.097 1.00 0.00 H new ATOM 1698 N PRO A 110 -0.305 -18.727 -3.521 1.00 0.00 N ATOM 1699 CA PRO A 110 0.863 -18.901 -2.674 1.00 0.00 C ATOM 1700 C PRO A 110 2.119 -19.138 -3.514 1.00 0.00 C ATOM 1701 O PRO A 110 2.034 -19.321 -4.727 1.00 0.00 O ATOM 1702 CB PRO A 110 0.522 -20.076 -1.770 1.00 0.00 C ATOM 1703 CG PRO A 110 -0.623 -20.807 -2.452 1.00 0.00 C ATOM 1704 CD PRO A 110 -1.179 -19.896 -3.535 1.00 0.00 C ATOM 0 HA PRO A 110 1.090 -18.014 -2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.383 -20.732 -1.641 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.231 -19.733 -0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -0.274 -21.745 -2.884 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.399 -21.059 -1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.169 -20.386 -4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.213 -19.620 -3.328 1.00 0.00 H new ATOM 1712 N SER A 111 3.257 -19.128 -2.835 1.00 0.00 N ATOM 1713 CA SER A 111 4.530 -19.339 -3.503 1.00 0.00 C ATOM 1714 C SER A 111 5.549 -19.915 -2.519 1.00 0.00 C ATOM 1715 O SER A 111 6.076 -21.006 -2.732 1.00 0.00 O ATOM 1716 CB SER A 111 5.056 -18.037 -4.111 1.00 0.00 C ATOM 1717 OG SER A 111 5.219 -18.135 -5.523 1.00 0.00 O ATOM 0 H SER A 111 3.324 -18.977 -1.828 1.00 0.00 H new ATOM 0 HA SER A 111 4.376 -20.051 -4.314 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.366 -17.225 -3.881 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.012 -17.783 -3.652 1.00 0.00 H new ATOM 0 HG SER A 111 5.555 -17.284 -5.873 1.00 0.00 H new ATOM 1723 N SER A 112 5.796 -19.157 -1.461 1.00 0.00 N ATOM 1724 CA SER A 112 6.743 -19.579 -0.443 1.00 0.00 C ATOM 1725 C SER A 112 8.119 -19.809 -1.071 1.00 0.00 C ATOM 1726 O SER A 112 8.310 -20.762 -1.824 1.00 0.00 O ATOM 1727 CB SER A 112 6.263 -20.848 0.264 1.00 0.00 C ATOM 1728 OG SER A 112 5.852 -20.590 1.604 1.00 0.00 O ATOM 0 H SER A 112 5.357 -18.253 -1.287 1.00 0.00 H new ATOM 0 HA SER A 112 6.819 -18.787 0.302 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.432 -21.281 -0.293 1.00 0.00 H new ATOM 0 HB3 SER A 112 7.064 -21.587 0.267 1.00 0.00 H new ATOM 0 HG SER A 112 5.551 -21.425 2.020 1.00 0.00 H new ATOM 1734 N GLY A 113 9.043 -18.920 -0.737 1.00 0.00 N ATOM 1735 CA GLY A 113 10.396 -19.014 -1.259 1.00 0.00 C ATOM 1736 C GLY A 113 10.514 -18.302 -2.608 1.00 0.00 C ATOM 1737 O GLY A 113 10.785 -17.103 -2.659 1.00 0.00 O ATOM 0 H GLY A 113 8.881 -18.131 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 113 11.095 -18.573 -0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.674 -20.062 -1.371 1.00 0.00 H new TER 1741 GLY A 113