USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 664 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 47 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 50 GLN : amide:sc= 0 X(o=0,f=0.28) USER MOD Set 2.1: A 18 GLN : amide:sc= -4.65! C(o=-7.2!,f=-16!) USER MOD Set 2.2: A 44 THR OG1 : rot 53:sc= -2.55! USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.0505 (180deg=-0.281) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= -0.498 K(o=-0.5,f=-2!) USER MOD Single : A 4 MET CE :methyl -121:sc=-0.000344 (180deg=-0.0656) USER MOD Single : A 9 LYS NZ :NH3+ 143:sc= -0.567 (180deg=-0.85) USER MOD Single : A 10 LYS NZ :NH3+ 161:sc= -0.0879 (180deg=-0.583) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0332! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.143 (180deg=-0.674) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 105:sc= 0.988 USER MOD Single : A 29 ASN : amide:sc= -1.08 K(o=-1.1,f=-4) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 170:sc= -4.03! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 147:sc= 0.944 USER MOD Single : A 43 THR OG1 : rot 47:sc= -1.76 USER MOD Single : A 45 ASN : amide:sc= -0.0208 X(o=-0.021,f=-0.45) USER MOD Single : A 52 THR OG1 : rot -130:sc= -1.34 USER MOD Single : A 56 GLN : amide:sc=-0.00764 X(o=-0.0076,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.1!) USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= -0.0697 (180deg=-0.468) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= -0.471 (180deg=-1.1) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.179 F(o=-0.99,f=-0.18) USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= -0.119 (180deg=-0.736) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 37:sc= 1.02 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0708 USER MOD Single : A 73 SER OG : rot -3:sc= 0.882 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -32.788 -13.270 -13.520 1.00 0.00 N ATOM 2 CA MET A 1 -31.991 -12.017 -13.410 1.00 0.00 C ATOM 3 C MET A 1 -31.107 -12.070 -12.164 1.00 0.00 C ATOM 4 O MET A 1 -30.811 -11.054 -11.567 1.00 0.00 O ATOM 5 CB MET A 1 -32.659 -11.172 -13.340 1.00 0.00 C ATOM 0 H1 MET A 1 -33.548 -13.138 -14.217 1.00 0.00 H new ATOM 0 H2 MET A 1 -32.170 -14.049 -13.825 1.00 0.00 H new ATOM 0 H3 MET A 1 -33.203 -13.500 -12.595 1.00 0.00 H new ATOM 0 HA MET A 1 -31.360 -11.915 -14.293 1.00 0.00 H new ATOM 7 N SER A 2 -30.701 -13.254 -11.795 1.00 0.00 N ATOM 8 CA SER A 2 -29.840 -13.385 -10.595 1.00 0.00 C ATOM 9 C SER A 2 -28.550 -12.592 -10.769 1.00 0.00 C ATOM 10 O SER A 2 -27.635 -13.028 -11.438 1.00 0.00 O ATOM 11 CB SER A 2 -29.492 -14.870 -10.404 1.00 0.00 C ATOM 12 OG SER A 2 -30.613 -15.401 -9.712 1.00 0.00 O ATOM 0 H SER A 2 -30.928 -14.127 -12.271 1.00 0.00 H new ATOM 0 HA SER A 2 -30.374 -12.997 -9.728 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.340 -15.370 -11.360 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.574 -14.994 -9.830 1.00 0.00 H new ATOM 0 HG SER A 2 -30.474 -16.357 -9.549 1.00 0.00 H new ATOM 18 N HIS A 3 -28.504 -11.437 -10.162 1.00 0.00 N ATOM 19 CA HIS A 3 -27.288 -10.597 -10.277 1.00 0.00 C ATOM 20 C HIS A 3 -27.136 -9.702 -9.050 1.00 0.00 C ATOM 21 O HIS A 3 -28.112 -9.258 -8.479 1.00 0.00 O ATOM 22 CB HIS A 3 -27.430 -9.705 -11.521 1.00 0.00 C ATOM 23 CG HIS A 3 -26.612 -10.295 -12.675 1.00 0.00 C ATOM 24 ND1 HIS A 3 -26.951 -11.284 -13.360 1.00 0.00 N ATOM 25 CD2 HIS A 3 -25.399 -9.886 -13.196 1.00 0.00 C ATOM 26 CE1 HIS A 3 -26.091 -11.545 -14.256 1.00 0.00 C ATOM 27 NE2 HIS A 3 -25.059 -10.702 -14.231 1.00 0.00 N ATOM 0 H HIS A 3 -29.255 -11.044 -9.595 1.00 0.00 H new ATOM 0 HA HIS A 3 -26.413 -11.243 -10.355 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -28.479 -9.628 -11.808 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -27.086 -8.695 -11.298 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -27.810 -11.814 -13.217 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -24.814 -9.052 -12.839 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -26.185 -12.359 -14.960 1.00 0.00 H new ATOM 35 N MET A 4 -25.914 -9.455 -8.668 1.00 0.00 N ATOM 36 CA MET A 4 -25.682 -8.592 -7.482 1.00 0.00 C ATOM 37 C MET A 4 -24.247 -8.093 -7.456 1.00 0.00 C ATOM 38 O MET A 4 -23.985 -6.956 -7.114 1.00 0.00 O ATOM 39 CB MET A 4 -25.933 -9.426 -6.216 1.00 0.00 C ATOM 40 CG MET A 4 -25.415 -8.655 -4.994 1.00 0.00 C ATOM 41 SD MET A 4 -26.423 -8.704 -3.492 1.00 0.00 S ATOM 42 CE MET A 4 -27.776 -7.664 -4.096 1.00 0.00 C ATOM 0 H MET A 4 -25.073 -9.811 -9.123 1.00 0.00 H new ATOM 0 HA MET A 4 -26.355 -7.736 -7.528 1.00 0.00 H new ATOM 0 HB2 MET A 4 -26.998 -9.632 -6.107 1.00 0.00 H new ATOM 0 HB3 MET A 4 -25.428 -10.389 -6.294 1.00 0.00 H new ATOM 0 HG2 MET A 4 -24.425 -9.039 -4.748 1.00 0.00 H new ATOM 0 HG3 MET A 4 -25.290 -7.611 -5.282 1.00 0.00 H new ATOM 0 HE1 MET A 4 -27.880 -6.792 -3.451 1.00 0.00 H new ATOM 0 HE2 MET A 4 -27.559 -7.339 -5.113 1.00 0.00 H new ATOM 0 HE3 MET A 4 -28.705 -8.234 -4.088 1.00 0.00 H new ATOM 52 N LEU A 5 -23.340 -8.953 -7.819 1.00 0.00 N ATOM 53 CA LEU A 5 -21.917 -8.549 -7.822 1.00 0.00 C ATOM 54 C LEU A 5 -21.403 -8.394 -6.399 1.00 0.00 C ATOM 55 O LEU A 5 -20.504 -7.618 -6.140 1.00 0.00 O ATOM 56 CB LEU A 5 -21.800 -7.199 -8.542 1.00 0.00 C ATOM 57 CG LEU A 5 -20.612 -7.245 -9.501 1.00 0.00 C ATOM 58 CD1 LEU A 5 -20.686 -6.045 -10.447 1.00 0.00 C ATOM 59 CD2 LEU A 5 -19.313 -7.173 -8.696 1.00 0.00 C ATOM 0 H LEU A 5 -23.525 -9.912 -8.112 1.00 0.00 H new ATOM 0 HA LEU A 5 -21.326 -9.313 -8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -22.717 -6.984 -9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -21.667 -6.396 -7.817 1.00 0.00 H new ATOM 0 HG LEU A 5 -20.637 -8.170 -10.076 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -19.841 -6.071 -11.135 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -21.616 -6.085 -11.014 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -20.654 -5.122 -9.868 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.461 -7.205 -9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.288 -6.243 -8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -19.262 -8.019 -8.010 1.00 0.00 H new ATOM 71 N GLU A 6 -21.985 -9.137 -5.498 1.00 0.00 N ATOM 72 CA GLU A 6 -21.544 -9.048 -4.086 1.00 0.00 C ATOM 73 C GLU A 6 -21.948 -7.714 -3.477 1.00 0.00 C ATOM 74 O GLU A 6 -22.529 -6.876 -4.138 1.00 0.00 O ATOM 75 CB GLU A 6 -20.015 -9.162 -4.051 1.00 0.00 C ATOM 76 CG GLU A 6 -19.608 -10.121 -2.933 1.00 0.00 C ATOM 77 CD GLU A 6 -18.123 -9.927 -2.616 1.00 0.00 C ATOM 78 OE1 GLU A 6 -17.336 -10.552 -3.308 1.00 0.00 O ATOM 79 OE2 GLU A 6 -17.860 -9.163 -1.702 1.00 0.00 O ATOM 0 H GLU A 6 -22.741 -9.796 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 6 -22.012 -9.849 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.643 -9.524 -5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -19.569 -8.181 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.209 -9.936 -2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.796 -11.151 -3.236 1.00 0.00 H new ATOM 86 N GLY A 7 -21.635 -7.540 -2.223 1.00 0.00 N ATOM 87 CA GLY A 7 -21.996 -6.261 -1.551 1.00 0.00 C ATOM 88 C GLY A 7 -21.637 -5.073 -2.445 1.00 0.00 C ATOM 89 O GLY A 7 -20.819 -5.189 -3.337 1.00 0.00 O ATOM 0 H GLY A 7 -21.149 -8.221 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.063 -6.248 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.470 -6.181 -0.599 1.00 0.00 H new ATOM 93 N ARG A 8 -22.257 -3.954 -2.188 1.00 0.00 N ATOM 94 CA ARG A 8 -21.964 -2.755 -3.010 1.00 0.00 C ATOM 95 C ARG A 8 -20.560 -2.239 -2.729 1.00 0.00 C ATOM 96 O ARG A 8 -20.295 -1.696 -1.674 1.00 0.00 O ATOM 97 CB ARG A 8 -22.975 -1.652 -2.650 1.00 0.00 C ATOM 98 CG ARG A 8 -24.320 -2.289 -2.285 1.00 0.00 C ATOM 99 CD ARG A 8 -24.780 -3.194 -3.430 1.00 0.00 C ATOM 100 NE ARG A 8 -25.051 -2.353 -4.630 1.00 0.00 N ATOM 101 CZ ARG A 8 -25.888 -2.778 -5.535 1.00 0.00 C ATOM 102 NH1 ARG A 8 -27.123 -3.020 -5.190 1.00 0.00 N ATOM 103 NH2 ARG A 8 -25.462 -2.947 -6.758 1.00 0.00 N ATOM 0 H ARG A 8 -22.948 -3.822 -1.449 1.00 0.00 H new ATOM 0 HA ARG A 8 -22.038 -3.023 -4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -22.602 -1.061 -1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -23.100 -0.970 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.224 -2.867 -1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -25.063 -1.514 -2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -24.014 -3.936 -3.655 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.678 -3.740 -3.142 1.00 0.00 H new ATOM 0 HE ARG A 8 -24.586 -1.452 -4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -27.420 -2.876 -4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -27.791 -3.353 -5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -24.489 -2.747 -6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -26.102 -3.279 -7.480 1.00 0.00 H new ATOM 117 N LYS A 9 -19.684 -2.417 -3.678 1.00 0.00 N ATOM 118 CA LYS A 9 -18.294 -1.942 -3.482 1.00 0.00 C ATOM 119 C LYS A 9 -18.202 -0.438 -3.702 1.00 0.00 C ATOM 120 O LYS A 9 -17.439 0.026 -4.525 1.00 0.00 O ATOM 121 CB LYS A 9 -17.394 -2.647 -4.509 1.00 0.00 C ATOM 122 CG LYS A 9 -17.623 -4.160 -4.426 1.00 0.00 C ATOM 123 CD LYS A 9 -16.356 -4.891 -4.883 1.00 0.00 C ATOM 124 CE LYS A 9 -16.182 -4.707 -6.395 1.00 0.00 C ATOM 125 NZ LYS A 9 -17.080 -5.632 -7.143 1.00 0.00 N ATOM 0 H LYS A 9 -19.872 -2.868 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 9 -17.979 -2.167 -2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -17.618 -2.288 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -16.347 -2.414 -4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.873 -4.446 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.468 -4.446 -5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.486 -4.500 -4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.426 -5.951 -4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.404 -3.676 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.145 -4.895 -6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.441 -5.154 -7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.549 -6.481 -7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.878 -5.907 -6.536 1.00 0.00 H new ATOM 139 N LYS A 10 -18.981 0.301 -2.958 1.00 0.00 N ATOM 140 CA LYS A 10 -18.949 1.775 -3.114 1.00 0.00 C ATOM 141 C LYS A 10 -17.611 2.337 -2.649 1.00 0.00 C ATOM 142 O LYS A 10 -17.185 2.092 -1.536 1.00 0.00 O ATOM 143 CB LYS A 10 -20.069 2.383 -2.256 1.00 0.00 C ATOM 144 CG LYS A 10 -19.900 3.904 -2.219 1.00 0.00 C ATOM 145 CD LYS A 10 -21.234 4.554 -1.848 1.00 0.00 C ATOM 146 CE LYS A 10 -21.671 4.053 -0.469 1.00 0.00 C ATOM 147 NZ LYS A 10 -20.633 4.369 0.553 1.00 0.00 N ATOM 0 H LYS A 10 -19.631 -0.053 -2.256 1.00 0.00 H new ATOM 0 HA LYS A 10 -19.087 2.024 -4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -21.043 2.123 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -20.032 1.976 -1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -19.135 4.178 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -19.563 4.267 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -21.133 5.639 -1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -21.991 4.310 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -22.617 4.516 -0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -21.841 2.977 -0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -21.056 4.326 1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.859 3.677 0.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.259 5.324 0.384 1.00 0.00 H new ATOM 161 N ARG A 11 -16.973 3.081 -3.509 1.00 0.00 N ATOM 162 CA ARG A 11 -15.662 3.668 -3.134 1.00 0.00 C ATOM 163 C ARG A 11 -15.848 4.899 -2.258 1.00 0.00 C ATOM 164 O ARG A 11 -16.904 5.499 -2.241 1.00 0.00 O ATOM 165 CB ARG A 11 -14.933 4.080 -4.421 1.00 0.00 C ATOM 166 CG ARG A 11 -14.371 2.830 -5.099 1.00 0.00 C ATOM 167 CD ARG A 11 -12.901 2.669 -4.709 1.00 0.00 C ATOM 168 NE ARG A 11 -12.804 2.566 -3.226 1.00 0.00 N ATOM 169 CZ ARG A 11 -11.996 3.363 -2.579 1.00 0.00 C ATOM 170 NH1 ARG A 11 -12.355 4.603 -2.390 1.00 0.00 N ATOM 171 NH2 ARG A 11 -10.859 2.894 -2.141 1.00 0.00 N ATOM 0 H ARG A 11 -17.302 3.305 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.087 2.929 -2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.619 4.596 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.127 4.777 -4.190 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.939 1.950 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.466 2.914 -6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.482 1.778 -5.177 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.321 3.520 -5.067 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.363 1.879 -2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.252 4.934 -2.745 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.739 5.241 -1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.612 1.918 -2.306 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.217 3.504 -1.634 1.00 0.00 H new ATOM 185 N VAL A 12 -14.816 5.255 -1.545 1.00 0.00 N ATOM 186 CA VAL A 12 -14.917 6.441 -0.666 1.00 0.00 C ATOM 187 C VAL A 12 -13.522 7.064 -0.433 1.00 0.00 C ATOM 188 O VAL A 12 -12.554 6.353 -0.237 1.00 0.00 O ATOM 189 CB VAL A 12 -15.495 5.970 0.685 1.00 0.00 C ATOM 190 CG1 VAL A 12 -14.581 4.898 1.278 1.00 0.00 C ATOM 191 CG2 VAL A 12 -15.578 7.150 1.657 1.00 0.00 C ATOM 0 H VAL A 12 -13.915 4.777 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.555 7.194 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.493 5.563 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.986 4.562 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.519 4.053 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.585 5.314 1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.987 6.810 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.581 7.561 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.225 7.921 1.239 1.00 0.00 H new ATOM 201 N PRO A 13 -13.446 8.394 -0.463 1.00 0.00 N ATOM 202 CA PRO A 13 -12.176 9.094 -0.255 1.00 0.00 C ATOM 203 C PRO A 13 -11.479 8.647 1.033 1.00 0.00 C ATOM 204 O PRO A 13 -12.058 7.957 1.847 1.00 0.00 O ATOM 205 CB PRO A 13 -12.564 10.585 -0.146 1.00 0.00 C ATOM 206 CG PRO A 13 -14.080 10.696 -0.495 1.00 0.00 C ATOM 207 CD PRO A 13 -14.606 9.268 -0.705 1.00 0.00 C ATOM 0 HA PRO A 13 -11.478 8.888 -1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -12.373 10.959 0.860 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.967 11.188 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -14.624 11.192 0.309 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -14.225 11.295 -1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -15.420 9.042 -0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.996 9.136 -1.714 1.00 0.00 H new ATOM 215 N TYR A 14 -10.243 9.060 1.189 1.00 0.00 N ATOM 216 CA TYR A 14 -9.485 8.675 2.411 1.00 0.00 C ATOM 217 C TYR A 14 -10.351 8.798 3.657 1.00 0.00 C ATOM 218 O TYR A 14 -10.757 7.804 4.228 1.00 0.00 O ATOM 219 CB TYR A 14 -8.279 9.618 2.552 1.00 0.00 C ATOM 220 CG TYR A 14 -7.206 9.226 1.531 1.00 0.00 C ATOM 221 CD1 TYR A 14 -7.367 9.520 0.190 1.00 0.00 C ATOM 222 CD2 TYR A 14 -6.057 8.580 1.939 1.00 0.00 C ATOM 223 CE1 TYR A 14 -6.393 9.175 -0.726 1.00 0.00 C ATOM 224 CE2 TYR A 14 -5.084 8.233 1.023 1.00 0.00 C ATOM 225 CZ TYR A 14 -5.244 8.529 -0.315 1.00 0.00 C ATOM 226 OH TYR A 14 -4.267 8.190 -1.230 1.00 0.00 O ATOM 0 H TYR A 14 -9.734 9.643 0.525 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.165 7.637 2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.590 10.650 2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.874 9.560 3.562 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.262 10.024 -0.144 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.918 8.344 2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.531 9.412 -1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.191 7.726 1.356 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.527 7.743 -0.768 1.00 0.00 H new ATOM 236 N THR A 15 -10.613 10.018 4.059 1.00 0.00 N ATOM 237 CA THR A 15 -11.452 10.233 5.267 1.00 0.00 C ATOM 238 C THR A 15 -12.482 11.324 5.015 1.00 0.00 C ATOM 239 O THR A 15 -12.689 11.740 3.894 1.00 0.00 O ATOM 240 CB THR A 15 -10.535 10.667 6.422 1.00 0.00 C ATOM 241 OG1 THR A 15 -11.405 11.050 7.468 1.00 0.00 O ATOM 242 CG2 THR A 15 -9.773 11.953 6.068 1.00 0.00 C ATOM 0 H THR A 15 -10.281 10.867 3.602 1.00 0.00 H new ATOM 0 HA THR A 15 -11.975 9.309 5.512 1.00 0.00 H new ATOM 0 HB THR A 15 -9.838 9.863 6.657 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.878 11.339 8.242 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.132 12.237 6.902 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.161 11.781 5.182 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.485 12.754 5.868 1.00 0.00 H new ATOM 250 N LYS A 16 -13.113 11.760 6.063 1.00 0.00 N ATOM 251 CA LYS A 16 -14.128 12.818 5.913 1.00 0.00 C ATOM 252 C LYS A 16 -13.484 14.185 6.064 1.00 0.00 C ATOM 253 O LYS A 16 -13.878 15.133 5.419 1.00 0.00 O ATOM 254 CB LYS A 16 -15.186 12.629 7.008 1.00 0.00 C ATOM 255 CG LYS A 16 -15.736 11.200 6.928 1.00 0.00 C ATOM 256 CD LYS A 16 -16.942 11.069 7.866 1.00 0.00 C ATOM 257 CE LYS A 16 -18.163 10.614 7.059 1.00 0.00 C ATOM 258 NZ LYS A 16 -18.656 11.719 6.189 1.00 0.00 N ATOM 0 H LYS A 16 -12.966 11.426 7.016 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.585 12.754 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.748 12.810 7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.993 13.351 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.030 10.968 5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.963 10.484 7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.726 10.351 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.147 12.024 8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -17.901 9.751 6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -18.955 10.295 7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -19.483 11.393 5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -18.926 12.532 6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -17.904 12.004 5.530 1.00 0.00 H new ATOM 272 N VAL A 17 -12.491 14.261 6.916 1.00 0.00 N ATOM 273 CA VAL A 17 -11.808 15.557 7.120 1.00 0.00 C ATOM 274 C VAL A 17 -11.169 15.970 5.817 1.00 0.00 C ATOM 275 O VAL A 17 -10.699 17.075 5.654 1.00 0.00 O ATOM 276 CB VAL A 17 -10.712 15.368 8.180 1.00 0.00 C ATOM 277 CG1 VAL A 17 -10.262 16.738 8.688 1.00 0.00 C ATOM 278 CG2 VAL A 17 -11.278 14.559 9.350 1.00 0.00 C ATOM 0 H VAL A 17 -12.133 13.484 7.471 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.516 16.318 7.447 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.864 14.841 7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.484 16.609 9.441 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.869 17.323 7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.111 17.259 9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -10.504 14.422 10.105 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.122 15.093 9.787 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.612 13.585 8.991 1.00 0.00 H new ATOM 288 N GLN A 18 -11.175 15.044 4.915 1.00 0.00 N ATOM 289 CA GLN A 18 -10.593 15.273 3.581 1.00 0.00 C ATOM 290 C GLN A 18 -11.559 16.059 2.708 1.00 0.00 C ATOM 291 O GLN A 18 -11.263 17.160 2.281 1.00 0.00 O ATOM 292 CB GLN A 18 -10.378 13.881 2.972 1.00 0.00 C ATOM 293 CG GLN A 18 -9.754 13.995 1.601 1.00 0.00 C ATOM 294 CD GLN A 18 -9.358 12.585 1.132 1.00 0.00 C ATOM 295 OE1 GLN A 18 -10.185 11.708 1.005 1.00 0.00 O ATOM 296 NE2 GLN A 18 -8.106 12.331 0.862 1.00 0.00 N ATOM 0 H GLN A 18 -11.570 14.114 5.052 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.666 15.842 3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.735 13.288 3.623 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.331 13.357 2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.457 14.445 0.900 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.879 14.644 1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.403 13.063 0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.831 11.401 0.547 1.00 0.00 H new ATOM 305 N LEU A 19 -12.705 15.489 2.464 1.00 0.00 N ATOM 306 CA LEU A 19 -13.694 16.203 1.619 1.00 0.00 C ATOM 307 C LEU A 19 -14.267 17.394 2.374 1.00 0.00 C ATOM 308 O LEU A 19 -14.889 18.270 1.794 1.00 0.00 O ATOM 309 CB LEU A 19 -14.836 15.230 1.268 1.00 0.00 C ATOM 310 CG LEU A 19 -14.716 14.802 -0.207 1.00 0.00 C ATOM 311 CD1 LEU A 19 -15.202 15.937 -1.108 1.00 0.00 C ATOM 312 CD2 LEU A 19 -13.253 14.494 -0.537 1.00 0.00 C ATOM 0 H LEU A 19 -12.995 14.574 2.808 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.206 16.560 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.793 14.354 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.800 15.708 1.441 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.324 13.912 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.117 15.635 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.243 16.163 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.592 16.824 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.171 14.192 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.647 15.384 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.898 13.687 0.103 1.00 0.00 H new ATOM 324 N LYS A 20 -14.034 17.418 3.660 1.00 0.00 N ATOM 325 CA LYS A 20 -14.557 18.541 4.466 1.00 0.00 C ATOM 326 C LYS A 20 -13.612 19.715 4.383 1.00 0.00 C ATOM 327 O LYS A 20 -14.033 20.835 4.217 1.00 0.00 O ATOM 328 CB LYS A 20 -14.665 18.100 5.936 1.00 0.00 C ATOM 329 CG LYS A 20 -16.061 17.524 6.190 1.00 0.00 C ATOM 330 CD LYS A 20 -16.039 16.697 7.480 1.00 0.00 C ATOM 331 CE LYS A 20 -15.625 17.596 8.648 1.00 0.00 C ATOM 332 NZ LYS A 20 -16.502 18.799 8.717 1.00 0.00 N ATOM 0 H LYS A 20 -13.509 16.712 4.176 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.536 18.830 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.904 17.352 6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.483 18.948 6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.790 18.330 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.369 16.901 5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.023 16.267 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.342 15.865 7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.687 17.039 9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.586 17.903 8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.422 19.233 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.207 19.485 7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.489 18.519 8.547 1.00 0.00 H new ATOM 346 N GLU A 21 -12.338 19.445 4.489 1.00 0.00 N ATOM 347 CA GLU A 21 -11.380 20.558 4.413 1.00 0.00 C ATOM 348 C GLU A 21 -11.397 21.151 3.018 1.00 0.00 C ATOM 349 O GLU A 21 -11.086 22.309 2.825 1.00 0.00 O ATOM 350 CB GLU A 21 -9.974 20.026 4.716 1.00 0.00 C ATOM 351 CG GLU A 21 -9.072 21.199 5.105 1.00 0.00 C ATOM 352 CD GLU A 21 -7.810 20.665 5.783 1.00 0.00 C ATOM 353 OE1 GLU A 21 -7.000 20.109 5.059 1.00 0.00 O ATOM 354 OE2 GLU A 21 -7.727 20.841 6.987 1.00 0.00 O ATOM 0 H GLU A 21 -11.936 18.517 4.622 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.654 21.326 5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.013 19.297 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.569 19.513 3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.806 21.777 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.603 21.873 5.778 1.00 0.00 H new ATOM 361 N LEU A 22 -11.770 20.340 2.065 1.00 0.00 N ATOM 362 CA LEU A 22 -11.820 20.830 0.669 1.00 0.00 C ATOM 363 C LEU A 22 -12.975 21.809 0.478 1.00 0.00 C ATOM 364 O LEU A 22 -12.791 22.904 -0.013 1.00 0.00 O ATOM 365 CB LEU A 22 -12.053 19.618 -0.262 1.00 0.00 C ATOM 366 CG LEU A 22 -10.976 19.565 -1.356 1.00 0.00 C ATOM 367 CD1 LEU A 22 -10.706 20.979 -1.904 1.00 0.00 C ATOM 368 CD2 LEU A 22 -9.693 18.985 -0.757 1.00 0.00 C ATOM 0 H LEU A 22 -12.040 19.365 2.197 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.883 21.337 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.035 18.696 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.040 19.687 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.319 18.936 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.941 20.929 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.624 21.387 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.362 21.623 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.920 18.942 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.355 19.619 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.888 17.980 -0.382 1.00 0.00 H new ATOM 380 N GLU A 23 -14.148 21.395 0.880 1.00 0.00 N ATOM 381 CA GLU A 23 -15.331 22.285 0.729 1.00 0.00 C ATOM 382 C GLU A 23 -15.259 23.450 1.701 1.00 0.00 C ATOM 383 O GLU A 23 -15.990 24.414 1.581 1.00 0.00 O ATOM 384 CB GLU A 23 -16.595 21.459 1.033 1.00 0.00 C ATOM 385 CG GLU A 23 -17.841 22.294 0.717 1.00 0.00 C ATOM 386 CD GLU A 23 -19.086 21.408 0.823 1.00 0.00 C ATOM 387 OE1 GLU A 23 -18.939 20.230 0.542 1.00 0.00 O ATOM 388 OE2 GLU A 23 -20.113 21.962 1.178 1.00 0.00 O ATOM 0 H GLU A 23 -14.335 20.486 1.303 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.355 22.682 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.597 20.545 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.602 21.158 2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.917 23.132 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.765 22.716 -0.285 1.00 0.00 H new ATOM 395 N ARG A 24 -14.372 23.348 2.639 1.00 0.00 N ATOM 396 CA ARG A 24 -14.237 24.436 3.629 1.00 0.00 C ATOM 397 C ARG A 24 -13.321 25.525 3.107 1.00 0.00 C ATOM 398 O ARG A 24 -13.677 26.686 3.081 1.00 0.00 O ATOM 399 CB ARG A 24 -13.622 23.843 4.905 1.00 0.00 C ATOM 400 CG ARG A 24 -14.735 23.517 5.911 1.00 0.00 C ATOM 401 CD ARG A 24 -15.920 22.864 5.190 1.00 0.00 C ATOM 402 NE ARG A 24 -17.015 23.857 5.062 1.00 0.00 N ATOM 403 CZ ARG A 24 -18.198 23.456 4.685 1.00 0.00 C ATOM 404 NH1 ARG A 24 -18.309 22.315 4.060 1.00 0.00 N ATOM 405 NH2 ARG A 24 -19.229 24.205 4.952 1.00 0.00 N ATOM 0 H ARG A 24 -13.736 22.560 2.763 1.00 0.00 H new ATOM 0 HA ARG A 24 -15.217 24.870 3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -13.060 22.941 4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.917 24.550 5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.354 22.847 6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -15.061 24.428 6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -15.614 22.512 4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -16.265 21.993 5.746 1.00 0.00 H new ATOM 0 HE ARG A 24 -16.845 24.842 5.266 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -17.479 21.753 3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.226 21.986 3.758 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -19.103 25.088 5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -20.162 23.909 4.666 1.00 0.00 H new ATOM 419 N GLU A 25 -12.156 25.128 2.694 1.00 0.00 N ATOM 420 CA GLU A 25 -11.196 26.119 2.169 1.00 0.00 C ATOM 421 C GLU A 25 -11.672 26.663 0.834 1.00 0.00 C ATOM 422 O GLU A 25 -11.214 27.692 0.381 1.00 0.00 O ATOM 423 CB GLU A 25 -9.841 25.425 1.966 1.00 0.00 C ATOM 424 CG GLU A 25 -9.490 24.601 3.216 1.00 0.00 C ATOM 425 CD GLU A 25 -8.531 25.404 4.098 1.00 0.00 C ATOM 426 OE1 GLU A 25 -7.393 25.539 3.677 1.00 0.00 O ATOM 427 OE2 GLU A 25 -8.990 25.840 5.142 1.00 0.00 O ATOM 0 H GLU A 25 -11.830 24.161 2.698 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.108 26.944 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.881 24.777 1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.065 26.168 1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.396 24.358 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.031 23.656 2.926 1.00 0.00 H new ATOM 434 N TYR A 26 -12.586 25.963 0.225 1.00 0.00 N ATOM 435 CA TYR A 26 -13.100 26.432 -1.081 1.00 0.00 C ATOM 436 C TYR A 26 -14.301 27.334 -0.867 1.00 0.00 C ATOM 437 O TYR A 26 -14.488 28.310 -1.567 1.00 0.00 O ATOM 438 CB TYR A 26 -13.526 25.209 -1.910 1.00 0.00 C ATOM 439 CG TYR A 26 -13.634 25.606 -3.385 1.00 0.00 C ATOM 440 CD1 TYR A 26 -14.665 26.414 -3.816 1.00 0.00 C ATOM 441 CD2 TYR A 26 -12.703 25.161 -4.303 1.00 0.00 C ATOM 442 CE1 TYR A 26 -14.766 26.772 -5.145 1.00 0.00 C ATOM 443 CE2 TYR A 26 -12.805 25.519 -5.633 1.00 0.00 C ATOM 444 CZ TYR A 26 -13.838 26.329 -6.063 1.00 0.00 C ATOM 445 OH TYR A 26 -13.938 26.690 -7.392 1.00 0.00 O ATOM 0 H TYR A 26 -12.993 25.095 0.574 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.323 26.990 -1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.800 24.405 -1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -14.484 24.830 -1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -15.399 26.769 -3.108 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.890 24.529 -3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -15.579 27.405 -5.469 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.072 25.163 -6.342 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.199 26.289 -7.896 1.00 0.00 H new ATOM 455 N ALA A 27 -15.095 26.992 0.112 1.00 0.00 N ATOM 456 CA ALA A 27 -16.292 27.809 0.402 1.00 0.00 C ATOM 457 C ALA A 27 -15.909 29.039 1.217 1.00 0.00 C ATOM 458 O ALA A 27 -16.710 29.931 1.416 1.00 0.00 O ATOM 459 CB ALA A 27 -17.275 26.954 1.219 1.00 0.00 C ATOM 0 H ALA A 27 -14.961 26.183 0.718 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.746 28.134 -0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.167 27.539 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.556 26.072 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.801 26.644 2.150 1.00 0.00 H new ATOM 465 N THR A 28 -14.683 29.065 1.678 1.00 0.00 N ATOM 466 CA THR A 28 -14.232 30.224 2.478 1.00 0.00 C ATOM 467 C THR A 28 -13.899 31.401 1.573 1.00 0.00 C ATOM 468 O THR A 28 -14.178 32.537 1.900 1.00 0.00 O ATOM 469 CB THR A 28 -12.972 29.818 3.253 1.00 0.00 C ATOM 470 OG1 THR A 28 -13.399 28.835 4.174 1.00 0.00 O ATOM 471 CG2 THR A 28 -12.474 30.975 4.132 1.00 0.00 C ATOM 0 H THR A 28 -13.986 28.335 1.532 1.00 0.00 H new ATOM 0 HA THR A 28 -15.028 30.522 3.161 1.00 0.00 H new ATOM 0 HB THR A 28 -12.196 29.505 2.555 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.105 27.951 3.869 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.580 30.663 4.672 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.238 31.834 3.504 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.251 31.250 4.845 1.00 0.00 H new ATOM 479 N ASN A 29 -13.307 31.107 0.446 1.00 0.00 N ATOM 480 CA ASN A 29 -12.948 32.200 -0.496 1.00 0.00 C ATOM 481 C ASN A 29 -13.072 31.730 -1.939 1.00 0.00 C ATOM 482 O ASN A 29 -14.079 31.941 -2.583 1.00 0.00 O ATOM 483 CB ASN A 29 -11.489 32.614 -0.233 1.00 0.00 C ATOM 484 CG ASN A 29 -11.040 33.610 -1.306 1.00 0.00 C ATOM 485 OD1 ASN A 29 -10.412 33.248 -2.282 1.00 0.00 O ATOM 486 ND2 ASN A 29 -11.341 34.873 -1.164 1.00 0.00 N ATOM 0 H ASN A 29 -13.059 30.166 0.141 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.625 33.040 -0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.400 33.064 0.756 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.843 31.736 -0.243 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.049 35.549 -1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.868 35.183 -0.347 1.00 0.00 H new ATOM 493 N LYS A 30 -12.041 31.101 -2.415 1.00 0.00 N ATOM 494 CA LYS A 30 -12.060 30.602 -3.809 1.00 0.00 C ATOM 495 C LYS A 30 -10.921 29.629 -4.004 1.00 0.00 C ATOM 496 O LYS A 30 -11.114 28.516 -4.451 1.00 0.00 O ATOM 497 CB LYS A 30 -11.877 31.795 -4.765 1.00 0.00 C ATOM 498 CG LYS A 30 -11.523 31.273 -6.166 1.00 0.00 C ATOM 499 CD LYS A 30 -12.373 32.005 -7.207 1.00 0.00 C ATOM 500 CE LYS A 30 -12.197 31.324 -8.569 1.00 0.00 C ATOM 501 NZ LYS A 30 -13.209 30.244 -8.750 1.00 0.00 N ATOM 0 H LYS A 30 -11.184 30.911 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.007 30.102 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.791 32.387 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.088 32.452 -4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.464 31.430 -6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.702 30.199 -6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.422 31.991 -6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.073 33.051 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.297 32.061 -9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.193 30.906 -8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.074 29.794 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.095 29.532 -8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.164 30.651 -8.698 1.00 0.00 H new ATOM 515 N PHE A 31 -9.746 30.067 -3.665 1.00 0.00 N ATOM 516 CA PHE A 31 -8.584 29.196 -3.814 1.00 0.00 C ATOM 517 C PHE A 31 -7.547 29.546 -2.781 1.00 0.00 C ATOM 518 O PHE A 31 -7.496 30.664 -2.306 1.00 0.00 O ATOM 519 CB PHE A 31 -7.985 29.349 -5.218 1.00 0.00 C ATOM 520 CG PHE A 31 -7.625 27.952 -5.709 1.00 0.00 C ATOM 521 CD1 PHE A 31 -6.611 27.241 -5.094 1.00 0.00 C ATOM 522 CD2 PHE A 31 -8.365 27.340 -6.700 1.00 0.00 C ATOM 523 CE1 PHE A 31 -6.350 25.947 -5.451 1.00 0.00 C ATOM 524 CE2 PHE A 31 -8.098 26.039 -7.058 1.00 0.00 C ATOM 525 CZ PHE A 31 -7.089 25.344 -6.425 1.00 0.00 C ATOM 0 H PHE A 31 -9.552 30.996 -3.291 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.900 28.162 -3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.700 29.821 -5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.102 29.987 -5.192 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.019 27.713 -4.324 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.156 27.884 -7.196 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.557 25.402 -4.961 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.678 25.562 -7.834 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.884 24.320 -6.701 1.00 0.00 H new ATOM 535 N ILE A 32 -6.738 28.588 -2.456 1.00 0.00 N ATOM 536 CA ILE A 32 -5.688 28.815 -1.454 1.00 0.00 C ATOM 537 C ILE A 32 -4.305 28.910 -2.112 1.00 0.00 C ATOM 538 O ILE A 32 -4.106 28.466 -3.224 1.00 0.00 O ATOM 539 CB ILE A 32 -5.743 27.650 -0.459 1.00 0.00 C ATOM 540 CG1 ILE A 32 -6.716 26.575 -0.945 1.00 0.00 C ATOM 541 CG2 ILE A 32 -6.281 28.189 0.874 1.00 0.00 C ATOM 542 CD1 ILE A 32 -6.087 25.817 -2.110 1.00 0.00 C ATOM 0 H ILE A 32 -6.764 27.647 -2.850 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.855 29.762 -0.941 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.746 27.222 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.951 25.887 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.655 27.032 -1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.330 27.378 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.617 28.970 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.278 28.602 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.777 25.049 -2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.874 26.511 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.160 25.348 -1.781 1.00 0.00 H new ATOM 554 N THR A 33 -3.377 29.485 -1.403 1.00 0.00 N ATOM 555 CA THR A 33 -2.004 29.632 -1.951 1.00 0.00 C ATOM 556 C THR A 33 -1.283 28.304 -2.036 1.00 0.00 C ATOM 557 O THR A 33 -1.640 27.351 -1.374 1.00 0.00 O ATOM 558 CB THR A 33 -1.216 30.560 -1.025 1.00 0.00 C ATOM 559 OG1 THR A 33 -1.647 30.236 0.282 1.00 0.00 O ATOM 560 CG2 THR A 33 -1.642 32.020 -1.221 1.00 0.00 C ATOM 0 H THR A 33 -3.512 29.861 -0.464 1.00 0.00 H new ATOM 0 HA THR A 33 -2.078 30.038 -2.960 1.00 0.00 H new ATOM 0 HB THR A 33 -0.148 30.447 -1.211 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.068 30.679 0.937 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.067 32.660 -0.551 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.458 32.317 -2.253 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.704 32.122 -0.998 1.00 0.00 H new ATOM 568 N LYS A 34 -0.267 28.271 -2.854 1.00 0.00 N ATOM 569 CA LYS A 34 0.506 27.025 -3.012 1.00 0.00 C ATOM 570 C LYS A 34 0.823 26.418 -1.655 1.00 0.00 C ATOM 571 O LYS A 34 0.752 25.217 -1.471 1.00 0.00 O ATOM 572 CB LYS A 34 1.818 27.366 -3.729 1.00 0.00 C ATOM 573 CG LYS A 34 1.502 28.091 -5.047 1.00 0.00 C ATOM 574 CD LYS A 34 0.596 27.199 -5.922 1.00 0.00 C ATOM 575 CE LYS A 34 -0.894 27.530 -5.673 1.00 0.00 C ATOM 576 NZ LYS A 34 -1.551 27.954 -6.943 1.00 0.00 N ATOM 0 H LYS A 34 0.055 29.058 -3.417 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.076 26.305 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.440 27.997 -3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.385 26.456 -3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.007 29.040 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.426 28.321 -5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.837 27.348 -6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.784 26.149 -5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.404 26.657 -5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.978 28.323 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.551 28.173 -6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.074 28.800 -7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.487 27.185 -7.640 1.00 0.00 H new ATOM 590 N ASP A 35 1.166 27.262 -0.725 1.00 0.00 N ATOM 591 CA ASP A 35 1.489 26.755 0.621 1.00 0.00 C ATOM 592 C ASP A 35 0.223 26.325 1.332 1.00 0.00 C ATOM 593 O ASP A 35 0.216 25.369 2.076 1.00 0.00 O ATOM 594 CB ASP A 35 2.140 27.890 1.424 1.00 0.00 C ATOM 595 CG ASP A 35 3.647 27.654 1.503 1.00 0.00 C ATOM 596 OD1 ASP A 35 4.303 28.025 0.544 1.00 0.00 O ATOM 597 OD2 ASP A 35 4.059 27.120 2.519 1.00 0.00 O ATOM 0 H ASP A 35 1.234 28.273 -0.844 1.00 0.00 H new ATOM 0 HA ASP A 35 2.162 25.902 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.935 28.850 0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.714 27.932 2.426 1.00 0.00 H new ATOM 602 N LYS A 36 -0.835 27.035 1.079 1.00 0.00 N ATOM 603 CA LYS A 36 -2.111 26.689 1.729 1.00 0.00 C ATOM 604 C LYS A 36 -2.692 25.381 1.168 1.00 0.00 C ATOM 605 O LYS A 36 -3.133 24.518 1.925 1.00 0.00 O ATOM 606 CB LYS A 36 -3.086 27.842 1.497 1.00 0.00 C ATOM 607 CG LYS A 36 -2.726 28.984 2.456 1.00 0.00 C ATOM 608 CD LYS A 36 -3.516 30.238 2.081 1.00 0.00 C ATOM 609 CE LYS A 36 -4.731 30.361 3.003 1.00 0.00 C ATOM 610 NZ LYS A 36 -4.375 31.113 4.234 1.00 0.00 N ATOM 0 H LYS A 36 -0.866 27.838 0.450 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.944 26.535 2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.030 28.183 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.111 27.512 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.950 28.694 3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.656 29.188 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.884 31.121 2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.838 30.182 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.541 30.869 2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.096 29.369 3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.210 31.188 4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.617 30.612 4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.049 32.066 3.976 1.00 0.00 H new ATOM 624 N ARG A 37 -2.679 25.229 -0.137 1.00 0.00 N ATOM 625 CA ARG A 37 -3.231 23.979 -0.692 1.00 0.00 C ATOM 626 C ARG A 37 -2.411 22.827 -0.172 1.00 0.00 C ATOM 627 O ARG A 37 -2.909 21.736 0.020 1.00 0.00 O ATOM 628 CB ARG A 37 -3.140 24.006 -2.226 1.00 0.00 C ATOM 629 CG ARG A 37 -1.700 24.232 -2.634 1.00 0.00 C ATOM 630 CD ARG A 37 -1.569 24.022 -4.143 1.00 0.00 C ATOM 631 NE ARG A 37 -0.150 24.238 -4.541 1.00 0.00 N ATOM 632 CZ ARG A 37 0.286 23.724 -5.657 1.00 0.00 C ATOM 633 NH1 ARG A 37 -0.544 23.593 -6.655 1.00 0.00 N ATOM 634 NH2 ARG A 37 1.536 23.357 -5.738 1.00 0.00 N ATOM 0 H ARG A 37 -2.319 25.902 -0.814 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.275 23.872 -0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.505 23.066 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.773 24.798 -2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.387 25.241 -2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.045 23.543 -2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.886 23.014 -4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.220 24.714 -4.677 1.00 0.00 H new ATOM 0 HE ARG A 37 0.474 24.783 -3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.514 23.890 -6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.223 23.193 -7.537 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.155 23.474 -4.936 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.894 22.953 -6.604 1.00 0.00 H new ATOM 648 N ARG A 38 -1.148 23.094 0.052 1.00 0.00 N ATOM 649 CA ARG A 38 -0.276 22.031 0.562 1.00 0.00 C ATOM 650 C ARG A 38 -0.750 21.591 1.931 1.00 0.00 C ATOM 651 O ARG A 38 -0.625 20.438 2.285 1.00 0.00 O ATOM 652 CB ARG A 38 1.168 22.555 0.670 1.00 0.00 C ATOM 653 CG ARG A 38 2.062 21.454 1.253 1.00 0.00 C ATOM 654 CD ARG A 38 3.517 21.728 0.862 1.00 0.00 C ATOM 655 NE ARG A 38 4.369 21.672 2.083 1.00 0.00 N ATOM 656 CZ ARG A 38 4.432 20.566 2.770 1.00 0.00 C ATOM 657 NH1 ARG A 38 4.943 19.505 2.208 1.00 0.00 N ATOM 658 NH2 ARG A 38 3.987 20.559 3.997 1.00 0.00 N ATOM 0 H ARG A 38 -0.701 23.998 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.309 21.184 -0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.533 22.854 -0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.200 23.440 1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.964 21.425 2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.750 20.479 0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.856 20.992 0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.601 22.706 0.389 1.00 0.00 H new ATOM 0 HE ARG A 38 4.898 22.492 2.379 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.284 19.551 1.248 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.001 18.630 2.729 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.598 21.410 4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.028 19.703 4.550 1.00 0.00 H new ATOM 672 N ARG A 39 -1.297 22.518 2.697 1.00 0.00 N ATOM 673 CA ARG A 39 -1.770 22.116 4.035 1.00 0.00 C ATOM 674 C ARG A 39 -2.797 21.061 3.838 1.00 0.00 C ATOM 675 O ARG A 39 -2.820 20.069 4.532 1.00 0.00 O ATOM 676 CB ARG A 39 -2.421 23.310 4.757 1.00 0.00 C ATOM 677 CG ARG A 39 -1.505 24.518 4.669 1.00 0.00 C ATOM 678 CD ARG A 39 -0.198 24.233 5.413 1.00 0.00 C ATOM 679 NE ARG A 39 -0.507 23.832 6.813 1.00 0.00 N ATOM 680 CZ ARG A 39 0.401 23.987 7.736 1.00 0.00 C ATOM 681 NH1 ARG A 39 1.368 23.117 7.819 1.00 0.00 N ATOM 682 NH2 ARG A 39 0.315 25.010 8.542 1.00 0.00 N ATOM 0 H ARG A 39 -1.426 23.499 2.449 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.934 21.760 4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.386 23.539 4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.609 23.059 5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.296 24.752 3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.996 25.391 5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.355 23.441 4.909 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.437 25.119 5.408 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.419 23.440 7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.405 22.332 7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.088 23.221 8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.454 25.673 8.444 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.017 25.146 9.270 1.00 0.00 H new ATOM 696 N ILE A 40 -3.648 21.289 2.875 1.00 0.00 N ATOM 697 CA ILE A 40 -4.693 20.288 2.612 1.00 0.00 C ATOM 698 C ILE A 40 -4.021 18.995 2.203 1.00 0.00 C ATOM 699 O ILE A 40 -4.037 18.024 2.922 1.00 0.00 O ATOM 700 CB ILE A 40 -5.576 20.743 1.453 1.00 0.00 C ATOM 701 CG1 ILE A 40 -5.747 22.263 1.439 1.00 0.00 C ATOM 702 CG2 ILE A 40 -6.946 20.106 1.645 1.00 0.00 C ATOM 703 CD1 ILE A 40 -6.376 22.686 0.097 1.00 0.00 C ATOM 0 H ILE A 40 -3.658 22.113 2.274 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.300 20.157 3.508 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.112 20.445 0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.381 22.578 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.782 22.751 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.606 20.410 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.846 19.021 1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.368 20.431 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.501 23.769 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.724 22.383 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.348 22.206 -0.016 1.00 0.00 H new ATOM 715 N SER A 41 -3.457 18.997 1.032 1.00 0.00 N ATOM 716 CA SER A 41 -2.782 17.780 0.574 1.00 0.00 C ATOM 717 C SER A 41 -1.906 17.194 1.686 1.00 0.00 C ATOM 718 O SER A 41 -1.787 15.992 1.819 1.00 0.00 O ATOM 719 CB SER A 41 -1.885 18.143 -0.633 1.00 0.00 C ATOM 720 OG SER A 41 -0.587 18.314 -0.080 1.00 0.00 O ATOM 0 H SER A 41 -3.439 19.785 0.385 1.00 0.00 H new ATOM 0 HA SER A 41 -3.531 17.039 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.894 17.354 -1.385 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.230 19.054 -1.123 1.00 0.00 H new ATOM 0 HG SER A 41 0.087 18.027 -0.732 1.00 0.00 H new ATOM 726 N ALA A 42 -1.308 18.057 2.469 1.00 0.00 N ATOM 727 CA ALA A 42 -0.442 17.560 3.566 1.00 0.00 C ATOM 728 C ALA A 42 -1.271 16.982 4.706 1.00 0.00 C ATOM 729 O ALA A 42 -0.764 16.236 5.522 1.00 0.00 O ATOM 730 CB ALA A 42 0.387 18.736 4.109 1.00 0.00 C ATOM 0 H ALA A 42 -1.384 19.071 2.393 1.00 0.00 H new ATOM 0 HA ALA A 42 0.201 16.774 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.029 18.386 4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.002 19.148 3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.282 19.509 4.487 1.00 0.00 H new ATOM 736 N THR A 43 -2.535 17.331 4.744 1.00 0.00 N ATOM 737 CA THR A 43 -3.395 16.799 5.832 1.00 0.00 C ATOM 738 C THR A 43 -4.074 15.549 5.346 1.00 0.00 C ATOM 739 O THR A 43 -4.278 14.610 6.087 1.00 0.00 O ATOM 740 CB THR A 43 -4.464 17.845 6.226 1.00 0.00 C ATOM 741 OG1 THR A 43 -4.670 18.634 5.089 1.00 0.00 O ATOM 742 CG2 THR A 43 -3.915 18.828 7.276 1.00 0.00 C ATOM 0 H THR A 43 -2.996 17.951 4.078 1.00 0.00 H new ATOM 0 HA THR A 43 -2.781 16.578 6.705 1.00 0.00 H new ATOM 0 HB THR A 43 -5.347 17.329 6.604 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.786 18.056 4.306 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.687 19.552 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.619 18.278 8.169 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.050 19.350 6.868 1.00 0.00 H new ATOM 750 N THR A 44 -4.412 15.561 4.087 1.00 0.00 N ATOM 751 CA THR A 44 -5.080 14.390 3.508 1.00 0.00 C ATOM 752 C THR A 44 -4.047 13.283 3.212 1.00 0.00 C ATOM 753 O THR A 44 -4.392 12.121 3.125 1.00 0.00 O ATOM 754 CB THR A 44 -5.789 14.848 2.245 1.00 0.00 C ATOM 755 OG1 THR A 44 -6.794 13.892 2.023 1.00 0.00 O ATOM 756 CG2 THR A 44 -4.901 14.750 1.042 1.00 0.00 C ATOM 0 H THR A 44 -4.250 16.336 3.444 1.00 0.00 H new ATOM 0 HA THR A 44 -5.807 13.968 4.202 1.00 0.00 H new ATOM 0 HB THR A 44 -6.127 15.877 2.372 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.335 13.791 2.834 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.445 15.087 0.160 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.021 15.377 1.187 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.590 13.715 0.903 1.00 0.00 H new ATOM 764 N ASN A 45 -2.793 13.700 3.040 1.00 0.00 N ATOM 765 CA ASN A 45 -1.670 12.721 2.756 1.00 0.00 C ATOM 766 C ASN A 45 -1.409 12.341 1.262 1.00 0.00 C ATOM 767 O ASN A 45 -1.384 11.170 0.937 1.00 0.00 O ATOM 768 CB ASN A 45 -1.946 11.425 3.553 1.00 0.00 C ATOM 769 CG ASN A 45 -0.612 10.788 3.956 1.00 0.00 C ATOM 770 OD1 ASN A 45 0.296 11.454 4.410 1.00 0.00 O ATOM 771 ND2 ASN A 45 -0.453 9.502 3.803 1.00 0.00 N ATOM 0 H ASN A 45 -2.503 14.677 3.085 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.764 13.246 3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.539 11.649 4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.527 10.729 2.948 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.430 9.063 4.064 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.211 8.936 3.422 1.00 0.00 H new ATOM 778 N LEU A 46 -1.222 13.319 0.374 1.00 0.00 N ATOM 779 CA LEU A 46 -0.951 12.929 -1.090 1.00 0.00 C ATOM 780 C LEU A 46 0.042 13.924 -1.747 1.00 0.00 C ATOM 781 O LEU A 46 1.057 14.236 -1.156 1.00 0.00 O ATOM 782 CB LEU A 46 -2.274 12.859 -1.898 1.00 0.00 C ATOM 783 CG LEU A 46 -3.290 13.692 -1.217 1.00 0.00 C ATOM 784 CD1 LEU A 46 -2.861 15.146 -1.299 1.00 0.00 C ATOM 785 CD2 LEU A 46 -4.648 13.516 -1.907 1.00 0.00 C ATOM 0 H LEU A 46 -1.242 14.319 0.575 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.498 11.938 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.114 13.214 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.618 11.827 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.380 13.389 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.601 15.772 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.894 15.268 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.779 15.443 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.394 14.130 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.569 13.823 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.948 12.469 -1.859 1.00 0.00 H new ATOM 797 N SER A 47 -0.253 14.406 -2.946 1.00 0.00 N ATOM 798 CA SER A 47 0.680 15.356 -3.595 1.00 0.00 C ATOM 799 C SER A 47 0.244 16.775 -3.364 1.00 0.00 C ATOM 800 O SER A 47 0.277 17.270 -2.259 1.00 0.00 O ATOM 801 CB SER A 47 0.680 15.086 -5.114 1.00 0.00 C ATOM 802 OG SER A 47 1.015 13.712 -5.226 1.00 0.00 O ATOM 0 H SER A 47 -1.090 14.177 -3.482 1.00 0.00 H new ATOM 0 HA SER A 47 1.674 15.217 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.295 15.295 -5.555 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.405 15.716 -5.630 1.00 0.00 H new ATOM 0 HG SER A 47 1.035 13.456 -6.172 1.00 0.00 H new ATOM 808 N GLU A 48 -0.168 17.394 -4.412 1.00 0.00 N ATOM 809 CA GLU A 48 -0.619 18.774 -4.334 1.00 0.00 C ATOM 810 C GLU A 48 -1.352 19.061 -5.612 1.00 0.00 C ATOM 811 O GLU A 48 -2.500 19.454 -5.602 1.00 0.00 O ATOM 812 CB GLU A 48 0.610 19.672 -4.216 1.00 0.00 C ATOM 813 CG GLU A 48 1.039 19.763 -2.741 1.00 0.00 C ATOM 814 CD GLU A 48 1.630 21.146 -2.475 1.00 0.00 C ATOM 815 OE1 GLU A 48 0.902 22.099 -2.698 1.00 0.00 O ATOM 816 OE2 GLU A 48 2.778 21.173 -2.064 1.00 0.00 O ATOM 0 H GLU A 48 -0.210 16.983 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.268 18.950 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.425 19.272 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.386 20.666 -4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.183 19.589 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.774 18.991 -2.515 1.00 0.00 H new ATOM 823 N ARG A 49 -0.669 18.865 -6.710 1.00 0.00 N ATOM 824 CA ARG A 49 -1.320 19.111 -7.987 1.00 0.00 C ATOM 825 C ARG A 49 -2.615 18.334 -7.959 1.00 0.00 C ATOM 826 O ARG A 49 -3.575 18.660 -8.631 1.00 0.00 O ATOM 827 CB ARG A 49 -0.423 18.576 -9.116 1.00 0.00 C ATOM 828 CG ARG A 49 0.678 19.599 -9.403 1.00 0.00 C ATOM 829 CD ARG A 49 1.317 19.292 -10.759 1.00 0.00 C ATOM 830 NE ARG A 49 1.145 17.845 -11.065 1.00 0.00 N ATOM 831 CZ ARG A 49 1.187 17.447 -12.307 1.00 0.00 C ATOM 832 NH1 ARG A 49 0.244 17.833 -13.123 1.00 0.00 N ATOM 833 NH2 ARG A 49 2.169 16.680 -12.693 1.00 0.00 N ATOM 0 H ARG A 49 0.300 18.549 -6.757 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.499 20.173 -8.154 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.016 17.621 -8.828 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.014 18.397 -10.014 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.262 20.606 -9.405 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.433 19.567 -8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.854 19.898 -11.538 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.376 19.549 -10.742 1.00 0.00 H new ATOM 0 HE ARG A 49 0.996 17.173 -10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.507 18.435 -12.786 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.259 17.533 -14.098 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.889 16.400 -12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.216 16.360 -13.660 1.00 0.00 H new ATOM 847 N GLN A 50 -2.603 17.293 -7.141 1.00 0.00 N ATOM 848 CA GLN A 50 -3.793 16.446 -7.006 1.00 0.00 C ATOM 849 C GLN A 50 -4.866 17.208 -6.264 1.00 0.00 C ATOM 850 O GLN A 50 -6.039 17.039 -6.519 1.00 0.00 O ATOM 851 CB GLN A 50 -3.417 15.198 -6.184 1.00 0.00 C ATOM 852 CG GLN A 50 -2.794 14.151 -7.109 1.00 0.00 C ATOM 853 CD GLN A 50 -2.720 12.809 -6.376 1.00 0.00 C ATOM 854 OE1 GLN A 50 -3.713 12.287 -5.910 1.00 0.00 O ATOM 855 NE2 GLN A 50 -1.563 12.217 -6.255 1.00 0.00 N ATOM 0 H GLN A 50 -1.806 17.013 -6.570 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.158 16.158 -7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.715 15.466 -5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.302 14.789 -5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.389 14.050 -8.017 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.797 14.467 -7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.725 12.650 -6.644 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.496 11.321 -5.771 1.00 0.00 H new ATOM 864 N VAL A 51 -4.451 18.051 -5.342 1.00 0.00 N ATOM 865 CA VAL A 51 -5.460 18.811 -4.601 1.00 0.00 C ATOM 866 C VAL A 51 -5.969 19.895 -5.480 1.00 0.00 C ATOM 867 O VAL A 51 -7.136 20.157 -5.539 1.00 0.00 O ATOM 868 CB VAL A 51 -4.861 19.438 -3.357 1.00 0.00 C ATOM 869 CG1 VAL A 51 -5.969 20.187 -2.597 1.00 0.00 C ATOM 870 CG2 VAL A 51 -4.290 18.328 -2.474 1.00 0.00 C ATOM 0 H VAL A 51 -3.479 18.229 -5.090 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.262 18.136 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.068 20.136 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.551 20.643 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.388 20.964 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.755 19.486 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.856 18.765 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.087 17.640 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.519 17.787 -3.023 1.00 0.00 H new ATOM 880 N THR A 52 -5.064 20.543 -6.133 1.00 0.00 N ATOM 881 CA THR A 52 -5.475 21.609 -7.019 1.00 0.00 C ATOM 882 C THR A 52 -6.560 21.045 -7.898 1.00 0.00 C ATOM 883 O THR A 52 -7.460 21.736 -8.337 1.00 0.00 O ATOM 884 CB THR A 52 -4.284 21.982 -7.870 1.00 0.00 C ATOM 885 OG1 THR A 52 -3.203 21.295 -7.291 1.00 0.00 O ATOM 886 CG2 THR A 52 -3.919 23.457 -7.712 1.00 0.00 C ATOM 0 H THR A 52 -4.060 20.370 -6.082 1.00 0.00 H new ATOM 0 HA THR A 52 -5.832 22.485 -6.478 1.00 0.00 H new ATOM 0 HB THR A 52 -4.497 21.759 -8.916 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.460 21.917 -7.147 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.058 23.688 -8.339 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.764 24.075 -8.014 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.674 23.662 -6.670 1.00 0.00 H new ATOM 894 N ILE A 53 -6.436 19.762 -8.137 1.00 0.00 N ATOM 895 CA ILE A 53 -7.419 19.075 -8.970 1.00 0.00 C ATOM 896 C ILE A 53 -8.690 18.938 -8.166 1.00 0.00 C ATOM 897 O ILE A 53 -9.780 18.948 -8.697 1.00 0.00 O ATOM 898 CB ILE A 53 -6.848 17.687 -9.328 1.00 0.00 C ATOM 899 CG1 ILE A 53 -6.640 17.596 -10.829 1.00 0.00 C ATOM 900 CG2 ILE A 53 -7.830 16.571 -8.894 1.00 0.00 C ATOM 901 CD1 ILE A 53 -7.999 17.658 -11.545 1.00 0.00 C ATOM 0 H ILE A 53 -5.684 19.174 -7.779 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.632 19.623 -9.888 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.900 17.557 -8.807 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.002 18.412 -11.168 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.128 16.667 -11.079 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.413 15.598 -9.153 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.987 16.623 -7.817 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.783 16.705 -9.406 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.846 17.592 -12.622 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.622 16.826 -11.216 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.494 18.599 -11.305 1.00 0.00 H new ATOM 913 N TRP A 54 -8.511 18.807 -6.880 1.00 0.00 N ATOM 914 CA TRP A 54 -9.667 18.675 -6.003 1.00 0.00 C ATOM 915 C TRP A 54 -10.499 19.879 -6.182 1.00 0.00 C ATOM 916 O TRP A 54 -11.701 19.807 -6.322 1.00 0.00 O ATOM 917 CB TRP A 54 -9.180 18.648 -4.549 1.00 0.00 C ATOM 918 CG TRP A 54 -9.969 17.643 -3.777 1.00 0.00 C ATOM 919 CD1 TRP A 54 -11.234 17.381 -4.005 1.00 0.00 C ATOM 920 CD2 TRP A 54 -9.449 16.823 -2.907 1.00 0.00 C ATOM 921 NE1 TRP A 54 -11.476 16.315 -3.228 1.00 0.00 N ATOM 922 CE2 TRP A 54 -10.375 15.889 -2.493 1.00 0.00 C ATOM 923 CE3 TRP A 54 -8.149 16.793 -2.390 1.00 0.00 C ATOM 924 CZ2 TRP A 54 -10.007 14.921 -1.589 1.00 0.00 C ATOM 925 CZ3 TRP A 54 -7.799 15.829 -1.493 1.00 0.00 C ATOM 926 CH2 TRP A 54 -8.717 14.895 -1.092 1.00 0.00 C ATOM 0 H TRP A 54 -7.604 18.788 -6.414 1.00 0.00 H new ATOM 0 HA TRP A 54 -10.225 17.767 -6.232 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.120 18.398 -4.514 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -9.290 19.635 -4.099 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -11.917 17.900 -4.661 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -12.386 15.858 -3.180 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.425 17.532 -2.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -10.725 14.181 -1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -6.795 15.801 -1.097 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -8.431 14.133 -0.382 1.00 0.00 H new ATOM 937 N PHE A 55 -9.832 20.994 -6.180 1.00 0.00 N ATOM 938 CA PHE A 55 -10.558 22.244 -6.350 1.00 0.00 C ATOM 939 C PHE A 55 -11.262 22.251 -7.694 1.00 0.00 C ATOM 940 O PHE A 55 -12.341 22.794 -7.838 1.00 0.00 O ATOM 941 CB PHE A 55 -9.549 23.379 -6.295 1.00 0.00 C ATOM 942 CG PHE A 55 -9.222 23.669 -4.835 1.00 0.00 C ATOM 943 CD1 PHE A 55 -8.653 22.691 -4.046 1.00 0.00 C ATOM 944 CD2 PHE A 55 -9.505 24.900 -4.280 1.00 0.00 C ATOM 945 CE1 PHE A 55 -8.371 22.936 -2.725 1.00 0.00 C ATOM 946 CE2 PHE A 55 -9.225 25.143 -2.955 1.00 0.00 C ATOM 947 CZ PHE A 55 -8.657 24.162 -2.176 1.00 0.00 C ATOM 0 H PHE A 55 -8.822 21.079 -6.068 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.306 22.359 -5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.644 23.107 -6.839 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.954 24.269 -6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.427 21.724 -4.471 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.948 25.675 -4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.924 22.164 -2.117 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.452 26.107 -2.525 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.437 24.355 -1.136 1.00 0.00 H new ATOM 957 N GLN A 56 -10.633 21.637 -8.655 1.00 0.00 N ATOM 958 CA GLN A 56 -11.233 21.583 -10.006 1.00 0.00 C ATOM 959 C GLN A 56 -12.412 20.631 -10.033 1.00 0.00 C ATOM 960 O GLN A 56 -13.365 20.849 -10.747 1.00 0.00 O ATOM 961 CB GLN A 56 -10.175 21.068 -10.970 1.00 0.00 C ATOM 962 CG GLN A 56 -10.234 21.876 -12.266 1.00 0.00 C ATOM 963 CD GLN A 56 -9.060 21.477 -13.163 1.00 0.00 C ATOM 964 OE1 GLN A 56 -9.240 20.918 -14.227 1.00 0.00 O ATOM 965 NE2 GLN A 56 -7.845 21.744 -12.774 1.00 0.00 N ATOM 0 H GLN A 56 -9.730 21.172 -8.559 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.579 22.578 -10.286 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.186 21.152 -10.521 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.341 20.011 -11.179 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -11.178 21.693 -12.780 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -10.192 22.943 -12.046 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.686 22.213 -11.882 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.053 21.484 -13.361 1.00 0.00 H new ATOM 974 N ASN A 57 -12.330 19.591 -9.245 1.00 0.00 N ATOM 975 CA ASN A 57 -13.439 18.625 -9.219 1.00 0.00 C ATOM 976 C ASN A 57 -14.542 19.248 -8.465 1.00 0.00 C ATOM 977 O ASN A 57 -15.707 18.985 -8.686 1.00 0.00 O ATOM 978 CB ASN A 57 -12.983 17.351 -8.493 1.00 0.00 C ATOM 979 CG ASN A 57 -12.539 16.313 -9.521 1.00 0.00 C ATOM 980 OD1 ASN A 57 -13.146 16.155 -10.561 1.00 0.00 O ATOM 981 ND2 ASN A 57 -11.484 15.587 -9.272 1.00 0.00 N ATOM 0 H ASN A 57 -11.546 19.380 -8.628 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.755 18.364 -10.229 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.162 17.580 -7.814 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.797 16.954 -7.887 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.173 14.891 -9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.971 15.716 -8.400 1.00 0.00 H new ATOM 988 N ARG A 58 -14.146 20.077 -7.573 1.00 0.00 N ATOM 989 CA ARG A 58 -15.110 20.767 -6.762 1.00 0.00 C ATOM 990 C ARG A 58 -15.735 21.852 -7.617 1.00 0.00 C ATOM 991 O ARG A 58 -16.827 22.328 -7.350 1.00 0.00 O ATOM 992 CB ARG A 58 -14.358 21.385 -5.583 1.00 0.00 C ATOM 993 CG ARG A 58 -14.563 20.503 -4.341 1.00 0.00 C ATOM 994 CD ARG A 58 -15.892 20.867 -3.677 1.00 0.00 C ATOM 995 NE ARG A 58 -16.267 19.785 -2.725 1.00 0.00 N ATOM 996 CZ ARG A 58 -17.527 19.576 -2.455 1.00 0.00 C ATOM 997 NH1 ARG A 58 -18.411 19.738 -3.402 1.00 0.00 N ATOM 998 NH2 ARG A 58 -17.861 19.203 -1.248 1.00 0.00 N ATOM 0 H ARG A 58 -13.171 20.302 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.890 20.103 -6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.296 21.467 -5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.722 22.395 -5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.561 19.450 -4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.741 20.646 -3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.803 21.818 -3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.669 20.991 -4.431 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.545 19.212 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.113 20.023 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.400 19.579 -3.209 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.142 19.080 -0.535 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.841 19.035 -1.019 1.00 0.00 H new ATOM 1012 N ARG A 59 -15.024 22.203 -8.672 1.00 0.00 N ATOM 1013 CA ARG A 59 -15.538 23.248 -9.576 1.00 0.00 C ATOM 1014 C ARG A 59 -16.385 22.579 -10.629 1.00 0.00 C ATOM 1015 O ARG A 59 -17.222 23.193 -11.261 1.00 0.00 O ATOM 1016 CB ARG A 59 -14.344 23.941 -10.252 1.00 0.00 C ATOM 1017 CG ARG A 59 -14.850 25.128 -11.072 1.00 0.00 C ATOM 1018 CD ARG A 59 -13.657 25.985 -11.504 1.00 0.00 C ATOM 1019 NE ARG A 59 -13.373 25.727 -12.943 1.00 0.00 N ATOM 1020 CZ ARG A 59 -12.686 26.602 -13.627 1.00 0.00 C ATOM 1021 NH1 ARG A 59 -11.640 27.155 -13.074 1.00 0.00 N ATOM 1022 NH2 ARG A 59 -13.069 26.899 -14.838 1.00 0.00 N ATOM 0 H ARG A 59 -14.121 21.805 -8.930 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.128 23.982 -9.027 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.632 24.280 -9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.817 23.237 -10.896 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.396 24.775 -11.947 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.546 25.723 -10.481 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.875 27.041 -11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.783 25.746 -10.899 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.712 24.875 -13.390 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.372 26.901 -12.123 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.091 27.841 -13.593 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.894 26.450 -15.237 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.544 27.580 -15.386 1.00 0.00 H new ATOM 1036 N VAL A 60 -16.136 21.312 -10.782 1.00 0.00 N ATOM 1037 CA VAL A 60 -16.880 20.517 -11.768 1.00 0.00 C ATOM 1038 C VAL A 60 -18.153 19.981 -11.122 1.00 0.00 C ATOM 1039 O VAL A 60 -19.069 19.549 -11.794 1.00 0.00 O ATOM 1040 CB VAL A 60 -15.955 19.354 -12.201 1.00 0.00 C ATOM 1041 CG1 VAL A 60 -16.490 18.012 -11.685 1.00 0.00 C ATOM 1042 CG2 VAL A 60 -15.877 19.312 -13.729 1.00 0.00 C ATOM 0 H VAL A 60 -15.435 20.793 -10.253 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.166 21.114 -12.634 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.964 19.521 -11.778 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.824 17.209 -12.001 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.540 18.035 -10.596 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -17.487 17.838 -12.090 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -15.226 18.494 -14.038 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -16.875 19.157 -14.140 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.475 20.255 -14.099 1.00 0.00 H new ATOM 1052 N LYS A 61 -18.172 20.028 -9.814 1.00 0.00 N ATOM 1053 CA LYS A 61 -19.347 19.543 -9.075 1.00 0.00 C ATOM 1054 C LYS A 61 -20.321 20.685 -8.916 1.00 0.00 C ATOM 1055 O LYS A 61 -21.519 20.494 -8.918 1.00 0.00 O ATOM 1056 CB LYS A 61 -18.892 19.075 -7.684 1.00 0.00 C ATOM 1057 CG LYS A 61 -18.544 17.583 -7.739 1.00 0.00 C ATOM 1058 CD LYS A 61 -19.829 16.759 -7.606 1.00 0.00 C ATOM 1059 CE LYS A 61 -19.468 15.322 -7.218 1.00 0.00 C ATOM 1060 NZ LYS A 61 -18.969 15.267 -5.815 1.00 0.00 N ATOM 0 H LYS A 61 -17.413 20.386 -9.234 1.00 0.00 H new ATOM 0 HA LYS A 61 -19.821 18.720 -9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -18.025 19.651 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -19.682 19.249 -6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.044 17.349 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.851 17.329 -6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -20.481 17.199 -6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -20.379 16.767 -8.547 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.343 14.680 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.706 14.937 -7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.128 14.315 -5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.952 15.482 -5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.479 15.966 -5.238 1.00 0.00 H new ATOM 1074 N GLU A 62 -19.784 21.871 -8.778 1.00 0.00 N ATOM 1075 CA GLU A 62 -20.663 23.033 -8.622 1.00 0.00 C ATOM 1076 C GLU A 62 -21.600 23.069 -9.800 1.00 0.00 C ATOM 1077 O GLU A 62 -22.659 23.663 -9.755 1.00 0.00 O ATOM 1078 CB GLU A 62 -19.798 24.304 -8.632 1.00 0.00 C ATOM 1079 CG GLU A 62 -19.475 24.722 -7.193 1.00 0.00 C ATOM 1080 CD GLU A 62 -20.278 25.974 -6.841 1.00 0.00 C ATOM 1081 OE1 GLU A 62 -21.410 26.036 -7.292 1.00 0.00 O ATOM 1082 OE2 GLU A 62 -19.714 26.800 -6.143 1.00 0.00 O ATOM 0 H GLU A 62 -18.783 22.069 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.225 22.973 -7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -18.876 24.123 -9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -20.324 25.109 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.718 23.914 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.408 24.919 -7.090 1.00 0.00 H new ATOM 1089 N LYS A 63 -21.178 22.417 -10.847 1.00 0.00 N ATOM 1090 CA LYS A 63 -21.997 22.373 -12.064 1.00 0.00 C ATOM 1091 C LYS A 63 -23.285 21.631 -11.804 1.00 0.00 C ATOM 1092 O LYS A 63 -24.205 21.678 -12.596 1.00 0.00 O ATOM 1093 CB LYS A 63 -21.208 21.633 -13.143 1.00 0.00 C ATOM 1094 CG LYS A 63 -19.980 22.457 -13.489 1.00 0.00 C ATOM 1095 CD LYS A 63 -19.376 21.937 -14.797 1.00 0.00 C ATOM 1096 CE LYS A 63 -19.681 22.928 -15.922 1.00 0.00 C ATOM 1097 NZ LYS A 63 -18.897 22.585 -17.142 1.00 0.00 N ATOM 0 H LYS A 63 -20.293 21.913 -10.901 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.234 23.389 -12.381 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -20.914 20.645 -12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -21.826 21.483 -14.028 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -20.250 23.508 -13.592 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -19.246 22.393 -12.685 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.299 21.811 -14.689 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -19.789 20.957 -15.038 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -20.747 22.912 -16.150 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -19.439 23.941 -15.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.114 23.266 -17.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.881 22.623 -16.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.148 21.626 -17.458 1.00 0.00 H new ATOM 1111 N LYS A 64 -23.329 20.944 -10.696 1.00 0.00 N ATOM 1112 CA LYS A 64 -24.560 20.187 -10.363 1.00 0.00 C ATOM 1113 C LYS A 64 -25.761 21.124 -10.238 1.00 0.00 C ATOM 1114 O LYS A 64 -26.779 20.751 -9.690 1.00 0.00 O ATOM 1115 CB LYS A 64 -24.346 19.478 -9.017 1.00 0.00 C ATOM 1116 CG LYS A 64 -23.546 18.194 -9.248 1.00 0.00 C ATOM 1117 CD LYS A 64 -23.642 17.310 -8.004 1.00 0.00 C ATOM 1118 CE LYS A 64 -23.113 18.081 -6.793 1.00 0.00 C ATOM 1119 NZ LYS A 64 -22.698 17.136 -5.718 1.00 0.00 N ATOM 0 H LYS A 64 -22.572 20.876 -10.015 1.00 0.00 H new ATOM 0 HA LYS A 64 -24.759 19.469 -11.158 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -23.814 20.133 -8.327 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -25.307 19.245 -8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -23.933 17.662 -10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -22.504 18.434 -9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -24.677 17.011 -7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -23.065 16.396 -8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -22.266 18.700 -7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -23.884 18.754 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -22.008 17.601 -5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -23.531 16.854 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -22.265 16.293 -6.145 1.00 0.00 H new ATOM 1133 N VAL A 65 -25.614 22.332 -10.753 1.00 0.00 N ATOM 1134 CA VAL A 65 -26.736 23.313 -10.677 1.00 0.00 C ATOM 1135 C VAL A 65 -27.111 23.813 -12.066 1.00 0.00 C ATOM 1136 O VAL A 65 -28.170 23.506 -12.576 1.00 0.00 O ATOM 1137 CB VAL A 65 -26.277 24.514 -9.836 1.00 0.00 C ATOM 1138 CG1 VAL A 65 -27.152 25.723 -10.172 1.00 0.00 C ATOM 1139 CG2 VAL A 65 -26.431 24.180 -8.351 1.00 0.00 C ATOM 0 H VAL A 65 -24.771 22.670 -11.216 1.00 0.00 H new ATOM 0 HA VAL A 65 -27.602 22.826 -10.230 1.00 0.00 H new ATOM 0 HB VAL A 65 -25.233 24.739 -10.055 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -26.832 26.580 -9.579 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -27.055 25.959 -11.232 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -28.193 25.493 -9.945 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -26.106 25.030 -7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -27.476 23.961 -8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -25.820 23.310 -8.108 1.00 0.00 H new ATOM 1149 N ILE A 66 -26.233 24.580 -12.653 1.00 0.00 N ATOM 1150 CA ILE A 66 -26.520 25.110 -14.009 1.00 0.00 C ATOM 1151 C ILE A 66 -26.920 23.988 -14.954 1.00 0.00 C ATOM 1152 O ILE A 66 -27.923 24.074 -15.635 1.00 0.00 O ATOM 1153 CB ILE A 66 -25.255 25.781 -14.543 1.00 0.00 C ATOM 1154 CG1 ILE A 66 -24.025 25.174 -13.879 1.00 0.00 C ATOM 1155 CG2 ILE A 66 -25.311 27.277 -14.194 1.00 0.00 C ATOM 1156 CD1 ILE A 66 -22.770 25.667 -14.603 1.00 0.00 C ATOM 0 H ILE A 66 -25.337 24.859 -12.253 1.00 0.00 H new ATOM 0 HA ILE A 66 -27.343 25.822 -13.947 1.00 0.00 H new ATOM 0 HB ILE A 66 -25.194 25.636 -15.622 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -23.988 25.457 -12.827 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -24.077 24.086 -13.915 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -24.415 27.772 -14.568 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -26.192 27.725 -14.654 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -25.366 27.396 -13.112 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -21.886 25.236 -14.133 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -22.810 25.362 -15.649 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -22.719 26.754 -14.544 1.00 0.00 H new ATOM 1168 N ASN A 67 -26.128 22.953 -14.982 1.00 0.00 N ATOM 1169 CA ASN A 67 -26.448 21.819 -15.877 1.00 0.00 C ATOM 1170 C ASN A 67 -27.366 20.825 -15.172 1.00 0.00 C ATOM 1171 O ASN A 67 -26.978 19.711 -14.884 1.00 0.00 O ATOM 1172 CB ASN A 67 -25.136 21.108 -16.250 1.00 0.00 C ATOM 1173 CG ASN A 67 -24.488 21.832 -17.433 1.00 0.00 C ATOM 1174 OD1 ASN A 67 -25.242 22.242 -18.417 1.00 0.00 O flip ATOM 1175 ND2 ASN A 67 -23.289 22.028 -17.474 1.00 0.00 N flip ATOM 0 H ASN A 67 -25.279 22.848 -14.426 1.00 0.00 H new ATOM 0 HA ASN A 67 -26.953 22.194 -16.767 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -24.457 21.101 -15.397 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -25.333 20.068 -16.509 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -22.694 21.711 -16.709 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -22.878 22.510 -18.274 1.00 0.00 H new ATOM 1182 N LYS A 68 -28.573 21.250 -14.905 1.00 0.00 N ATOM 1183 CA LYS A 68 -29.523 20.342 -14.221 1.00 0.00 C ATOM 1184 C LYS A 68 -30.936 20.920 -14.227 1.00 0.00 C ATOM 1185 O LYS A 68 -31.590 20.955 -15.251 1.00 0.00 O ATOM 1186 CB LYS A 68 -29.060 20.168 -12.766 1.00 0.00 C ATOM 1187 CG LYS A 68 -29.920 19.099 -12.090 1.00 0.00 C ATOM 1188 CD LYS A 68 -29.279 18.707 -10.757 1.00 0.00 C ATOM 1189 CE LYS A 68 -30.255 17.831 -9.969 1.00 0.00 C ATOM 1190 NZ LYS A 68 -31.040 16.962 -10.891 1.00 0.00 N ATOM 0 H LYS A 68 -28.934 22.177 -15.130 1.00 0.00 H new ATOM 0 HA LYS A 68 -29.541 19.386 -14.745 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -28.010 19.878 -12.738 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -29.144 21.113 -12.229 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -30.929 19.478 -11.925 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -30.009 18.225 -12.735 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -28.348 18.168 -10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -29.028 19.600 -10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -29.706 17.214 -9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -30.931 18.460 -9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -31.517 16.217 -10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -31.751 17.536 -11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -30.400 16.526 -11.585 1.00 0.00 H new ATOM 1204 N LEU A 69 -31.385 21.365 -13.082 1.00 0.00 N ATOM 1205 CA LEU A 69 -32.751 21.941 -13.009 1.00 0.00 C ATOM 1206 C LEU A 69 -33.750 21.018 -13.698 1.00 0.00 C ATOM 1207 O LEU A 69 -34.194 21.281 -14.797 1.00 0.00 O ATOM 1208 CB LEU A 69 -32.744 23.309 -13.719 1.00 0.00 C ATOM 1209 CG LEU A 69 -32.519 24.406 -12.679 1.00 0.00 C ATOM 1210 CD1 LEU A 69 -32.206 25.722 -13.391 1.00 0.00 C ATOM 1211 CD2 LEU A 69 -33.792 24.574 -11.847 1.00 0.00 C ATOM 0 H LEU A 69 -30.866 21.353 -12.204 1.00 0.00 H new ATOM 0 HA LEU A 69 -33.044 22.056 -11.965 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -31.958 23.338 -14.473 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -33.689 23.469 -14.237 1.00 0.00 H new ATOM 0 HG LEU A 69 -31.686 24.134 -12.031 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -32.045 26.506 -12.652 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -31.307 25.604 -13.996 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -33.042 25.996 -14.034 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -33.640 25.355 -11.102 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -34.619 24.852 -12.500 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -34.025 23.635 -11.345 1.00 0.00 H new ATOM 1223 N LYS A 70 -34.084 19.945 -13.031 1.00 0.00 N ATOM 1224 CA LYS A 70 -35.051 18.988 -13.623 1.00 0.00 C ATOM 1225 C LYS A 70 -35.920 18.356 -12.542 1.00 0.00 C ATOM 1226 O LYS A 70 -35.442 17.584 -11.735 1.00 0.00 O ATOM 1227 CB LYS A 70 -34.257 17.877 -14.326 1.00 0.00 C ATOM 1228 CG LYS A 70 -34.171 18.186 -15.822 1.00 0.00 C ATOM 1229 CD LYS A 70 -35.322 17.488 -16.546 1.00 0.00 C ATOM 1230 CE LYS A 70 -35.086 17.565 -18.054 1.00 0.00 C ATOM 1231 NZ LYS A 70 -34.453 16.311 -18.546 1.00 0.00 N ATOM 0 H LYS A 70 -33.729 19.695 -12.108 1.00 0.00 H new ATOM 0 HA LYS A 70 -35.696 19.519 -14.324 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -33.256 17.804 -13.900 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -34.741 16.913 -14.169 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -34.221 19.262 -15.987 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -33.215 17.847 -16.221 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -35.389 16.447 -16.229 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -36.270 17.961 -16.289 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -36.033 17.728 -18.569 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -34.447 18.417 -18.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -34.299 16.379 -19.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -33.540 16.172 -18.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -35.077 15.504 -18.342 1.00 0.00 H new ATOM 1245 N THR A 71 -37.185 18.695 -12.553 1.00 0.00 N ATOM 1246 CA THR A 71 -38.110 18.126 -11.535 1.00 0.00 C ATOM 1247 C THR A 71 -38.946 17.005 -12.134 1.00 0.00 C ATOM 1248 O THR A 71 -39.816 17.245 -12.949 1.00 0.00 O ATOM 1249 CB THR A 71 -39.049 19.238 -11.062 1.00 0.00 C ATOM 1250 OG1 THR A 71 -39.700 19.700 -12.227 1.00 0.00 O ATOM 1251 CG2 THR A 71 -38.252 20.450 -10.558 1.00 0.00 C ATOM 0 H THR A 71 -37.612 19.338 -13.220 1.00 0.00 H new ATOM 0 HA THR A 71 -37.526 17.725 -10.707 1.00 0.00 H new ATOM 0 HB THR A 71 -39.703 18.858 -10.277 1.00 0.00 H new ATOM 0 HG1 THR A 71 -39.874 18.944 -12.826 1.00 0.00 H new ATOM 0 HG21 THR A 71 -38.941 21.227 -10.227 1.00 0.00 H new ATOM 0 HG22 THR A 71 -37.619 20.148 -9.724 1.00 0.00 H new ATOM 0 HG23 THR A 71 -37.629 20.837 -11.365 1.00 0.00 H new ATOM 1259 N THR A 72 -38.668 15.797 -11.721 1.00 0.00 N ATOM 1260 CA THR A 72 -39.437 14.644 -12.255 1.00 0.00 C ATOM 1261 C THR A 72 -40.582 14.275 -11.321 1.00 0.00 C ATOM 1262 O THR A 72 -40.613 13.192 -10.772 1.00 0.00 O ATOM 1263 CB THR A 72 -38.493 13.442 -12.367 1.00 0.00 C ATOM 1264 OG1 THR A 72 -37.693 13.485 -11.203 1.00 0.00 O ATOM 1265 CG2 THR A 72 -37.502 13.630 -13.526 1.00 0.00 C ATOM 0 H THR A 72 -37.945 15.563 -11.041 1.00 0.00 H new ATOM 0 HA THR A 72 -39.850 14.914 -13.227 1.00 0.00 H new ATOM 0 HB THR A 72 -39.073 12.529 -12.506 1.00 0.00 H new ATOM 0 HG1 THR A 72 -37.062 12.735 -11.212 1.00 0.00 H new ATOM 0 HG21 THR A 72 -36.843 12.764 -13.585 1.00 0.00 H new ATOM 0 HG22 THR A 72 -38.052 13.732 -14.462 1.00 0.00 H new ATOM 0 HG23 THR A 72 -36.908 14.527 -13.355 1.00 0.00 H new ATOM 1273 N SER A 73 -41.504 15.185 -11.154 1.00 0.00 N ATOM 1274 CA SER A 73 -42.654 14.901 -10.258 1.00 0.00 C ATOM 1275 C SER A 73 -43.829 14.330 -11.043 1.00 0.00 C ATOM 1276 O SER A 73 -44.763 13.902 -10.386 1.00 0.00 O ATOM 1277 CB SER A 73 -43.090 16.218 -9.602 1.00 0.00 C ATOM 1278 OG SER A 73 -44.235 15.863 -8.840 1.00 0.00 O ATOM 1279 OXT SER A 73 -43.730 14.354 -12.260 1.00 0.00 O ATOM 0 H SER A 73 -41.509 16.104 -11.596 1.00 0.00 H new ATOM 0 HA SER A 73 -42.350 14.170 -9.509 1.00 0.00 H new ATOM 0 HB2 SER A 73 -42.302 16.629 -8.970 1.00 0.00 H new ATOM 0 HB3 SER A 73 -43.327 16.976 -10.349 1.00 0.00 H new ATOM 0 HG SER A 73 -44.449 14.919 -8.991 1.00 0.00 H new TER 1285 SER A 73