USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 501 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 998 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HD1 : A 61 HIS ND1 : A 999 ZNZN :(H bumps) USER MOD Set 1.1: A 26 SER OG : rot -39:sc= 0.914 USER MOD Set 1.2: A 27 ASN : amide:sc= -4.23! C(o=-2.4!,f=-12!) USER MOD Set 1.3: A 31 TYR OH : rot -22:sc= 0.885 USER MOD Set 2.1: A 9 THR OG1 : rot -100:sc= 1.04 USER MOD Set 2.2: A 14 LYS NZ :NH3+ -109:sc= 0.742 (180deg=-1.83!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0769 (180deg=-0.0558) USER MOD Single : A 3 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : A 7 SER OG : rot 1:sc= 0.433 USER MOD Single : A 22 LYS NZ :NH3+ -153:sc= -0.0404 (180deg=-0.387) USER MOD Single : A 25 ASN : amide:sc= -0.0262 K(o=-0.026,f=-1.5!) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 40 GLN : amide:sc= -7.13! C(o=-7.1!,f=-12!) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.263 F(o=-1.3,f=-0.26) USER MOD Single : A 44 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.119 USER MOD Single : A 57 LYS NZ :NH3+ -149:sc= -2.04! (180deg=-7.27!) USER MOD Single : A 58 TYR OH : rot 30:sc= -1.2 USER MOD Single : A 64 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.2) USER MOD Single : A 65 MET CE :methyl -179:sc= 0 (180deg=-0.00135) USER MOD Single : A 70 CYS SG : rot 41:sc= 0.567 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.742 -18.579 1.105 1.00 0.00 N ATOM 2 CA MET A 1 -3.083 -19.759 0.262 1.00 0.00 C ATOM 3 C MET A 1 -1.937 -20.036 -0.715 1.00 0.00 C ATOM 4 O MET A 1 -1.115 -19.181 -0.981 1.00 0.00 O ATOM 5 CB MET A 1 -4.366 -19.472 -0.526 1.00 0.00 C ATOM 6 CG MET A 1 -5.571 -19.527 0.417 1.00 0.00 C ATOM 7 SD MET A 1 -7.092 -19.292 -0.537 1.00 0.00 S ATOM 8 CE MET A 1 -8.257 -19.695 0.788 1.00 0.00 C ATOM 0 H1 MET A 1 -2.628 -18.880 2.094 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.854 -18.156 0.768 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.506 -17.876 1.043 1.00 0.00 H new ATOM 0 HA MET A 1 -3.236 -20.629 0.901 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.304 -18.491 -0.996 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.484 -20.202 -1.326 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.598 -20.486 0.935 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.485 -18.754 1.181 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.277 -19.613 0.413 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.078 -20.714 1.132 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.118 -19.002 1.618 1.00 0.00 H new ATOM 18 N ALA A 2 -1.878 -21.228 -1.252 1.00 0.00 N ATOM 19 CA ALA A 2 -0.790 -21.568 -2.214 1.00 0.00 C ATOM 20 C ALA A 2 -1.025 -20.831 -3.535 1.00 0.00 C ATOM 21 O ALA A 2 -2.029 -20.169 -3.718 1.00 0.00 O ATOM 22 CB ALA A 2 -0.786 -23.078 -2.464 1.00 0.00 C ATOM 0 H ALA A 2 -2.539 -21.982 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 2 0.171 -21.265 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.009 -23.328 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.617 -23.602 -1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.747 -23.380 -2.880 1.00 0.00 H new ATOM 28 N ASN A 3 -0.103 -20.939 -4.458 1.00 0.00 N ATOM 29 CA ASN A 3 -0.267 -20.247 -5.769 1.00 0.00 C ATOM 30 C ASN A 3 0.216 -21.165 -6.896 1.00 0.00 C ATOM 31 O ASN A 3 1.359 -21.113 -7.307 1.00 0.00 O ATOM 32 CB ASN A 3 0.556 -18.954 -5.770 1.00 0.00 C ATOM 33 CG ASN A 3 0.046 -18.022 -4.669 1.00 0.00 C ATOM 34 OD1 ASN A 3 0.606 -17.973 -3.592 1.00 0.00 O ATOM 35 ND2 ASN A 3 -1.000 -17.277 -4.895 1.00 0.00 N ATOM 0 H ASN A 3 0.757 -21.478 -4.358 1.00 0.00 H new ATOM 0 HA ASN A 3 -1.319 -20.007 -5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.610 -19.181 -5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.480 -18.463 -6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.348 -16.653 -4.167 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.470 -17.318 -5.799 1.00 0.00 H new ATOM 42 N ALA A 4 -0.652 -22.005 -7.399 1.00 0.00 N ATOM 43 CA ALA A 4 -0.251 -22.927 -8.502 1.00 0.00 C ATOM 44 C ALA A 4 0.005 -22.112 -9.771 1.00 0.00 C ATOM 45 O ALA A 4 1.067 -22.177 -10.358 1.00 0.00 O ATOM 46 CB ALA A 4 -1.376 -23.936 -8.757 1.00 0.00 C ATOM 0 H ALA A 4 -1.621 -22.092 -7.093 1.00 0.00 H new ATOM 0 HA ALA A 4 0.657 -23.462 -8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.085 -24.610 -9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.560 -24.512 -7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.284 -23.404 -9.040 1.00 0.00 H new ATOM 52 N LEU A 5 -0.961 -21.335 -10.191 1.00 0.00 N ATOM 53 CA LEU A 5 -0.778 -20.505 -11.416 1.00 0.00 C ATOM 54 C LEU A 5 0.058 -19.273 -11.062 1.00 0.00 C ATOM 55 O LEU A 5 -0.389 -18.395 -10.346 1.00 0.00 O ATOM 56 CB LEU A 5 -2.149 -20.067 -11.944 1.00 0.00 C ATOM 57 CG LEU A 5 -2.001 -19.498 -13.360 1.00 0.00 C ATOM 58 CD1 LEU A 5 -1.987 -20.643 -14.378 1.00 0.00 C ATOM 59 CD2 LEU A 5 -3.179 -18.565 -13.660 1.00 0.00 C ATOM 0 H LEU A 5 -1.869 -21.241 -9.736 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.267 -21.085 -12.185 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.834 -20.915 -11.952 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.581 -19.315 -11.283 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.066 -18.942 -13.429 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.882 -20.235 -15.383 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.149 -21.308 -14.167 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.920 -21.202 -14.309 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.075 -18.160 -14.666 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.113 -19.123 -13.588 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.189 -17.748 -12.939 1.00 0.00 H new ATOM 71 N ALA A 6 1.270 -19.206 -11.551 1.00 0.00 N ATOM 72 CA ALA A 6 2.151 -18.037 -11.243 1.00 0.00 C ATOM 73 C ALA A 6 2.426 -17.984 -9.737 1.00 0.00 C ATOM 74 O ALA A 6 2.045 -18.870 -8.995 1.00 0.00 O ATOM 75 CB ALA A 6 1.465 -16.739 -11.689 1.00 0.00 C ATOM 0 H ALA A 6 1.690 -19.914 -12.153 1.00 0.00 H new ATOM 0 HA ALA A 6 3.094 -18.146 -11.779 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.110 -15.890 -11.463 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.278 -16.777 -12.762 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.519 -16.627 -11.159 1.00 0.00 H new ATOM 81 N SER A 7 3.088 -16.953 -9.278 1.00 0.00 N ATOM 82 CA SER A 7 3.391 -16.842 -7.821 1.00 0.00 C ATOM 83 C SER A 7 3.519 -15.365 -7.437 1.00 0.00 C ATOM 84 O SER A 7 4.141 -15.021 -6.448 1.00 0.00 O ATOM 85 CB SER A 7 4.705 -17.567 -7.517 1.00 0.00 C ATOM 86 OG SER A 7 4.536 -18.962 -7.741 1.00 0.00 O ATOM 0 H SER A 7 3.432 -16.182 -9.851 1.00 0.00 H new ATOM 0 HA SER A 7 2.585 -17.297 -7.246 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.502 -17.179 -8.151 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.003 -17.386 -6.484 1.00 0.00 H new ATOM 0 HG SER A 7 3.624 -19.135 -8.056 1.00 0.00 H new ATOM 92 N ALA A 8 2.932 -14.489 -8.210 1.00 0.00 N ATOM 93 CA ALA A 8 3.014 -13.032 -7.898 1.00 0.00 C ATOM 94 C ALA A 8 1.804 -12.316 -8.502 1.00 0.00 C ATOM 95 O ALA A 8 1.512 -12.455 -9.676 1.00 0.00 O ATOM 96 CB ALA A 8 4.302 -12.454 -8.490 1.00 0.00 C ATOM 0 H ALA A 8 2.397 -14.721 -9.047 1.00 0.00 H new ATOM 0 HA ALA A 8 3.019 -12.889 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.362 -11.390 -8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.162 -12.966 -8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.300 -12.594 -9.571 1.00 0.00 H new ATOM 102 N THR A 9 1.096 -11.549 -7.710 1.00 0.00 N ATOM 103 CA THR A 9 -0.098 -10.824 -8.235 1.00 0.00 C ATOM 104 C THR A 9 0.046 -9.324 -7.958 1.00 0.00 C ATOM 105 O THR A 9 0.797 -8.910 -7.096 1.00 0.00 O ATOM 106 CB THR A 9 -1.365 -11.351 -7.551 1.00 0.00 C ATOM 107 OG1 THR A 9 -1.354 -10.980 -6.178 1.00 0.00 O ATOM 108 CG2 THR A 9 -1.419 -12.875 -7.668 1.00 0.00 C ATOM 0 H THR A 9 1.295 -11.395 -6.722 1.00 0.00 H new ATOM 0 HA THR A 9 -0.172 -10.988 -9.310 1.00 0.00 H new ATOM 0 HB THR A 9 -2.241 -10.921 -8.037 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.062 -11.742 -5.636 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.321 -13.246 -7.181 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.432 -13.159 -8.720 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.542 -13.308 -7.186 1.00 0.00 H new ATOM 116 N CYS A 10 -0.667 -8.513 -8.695 1.00 0.00 N ATOM 117 CA CYS A 10 -0.581 -7.031 -8.506 1.00 0.00 C ATOM 118 C CYS A 10 -1.022 -6.644 -7.097 1.00 0.00 C ATOM 119 O CYS A 10 -1.724 -7.365 -6.423 1.00 0.00 O ATOM 120 CB CYS A 10 -1.476 -6.345 -9.535 1.00 0.00 C ATOM 121 SG CYS A 10 -1.213 -4.556 -9.498 1.00 0.00 S ATOM 0 H CYS A 10 -1.311 -8.815 -9.426 1.00 0.00 H new ATOM 0 HA CYS A 10 0.453 -6.713 -8.642 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.259 -6.731 -10.531 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.522 -6.571 -9.326 1.00 0.00 H new ATOM 126 N GLU A 11 -0.599 -5.502 -6.652 1.00 0.00 N ATOM 127 CA GLU A 11 -0.968 -5.040 -5.293 1.00 0.00 C ATOM 128 C GLU A 11 -2.440 -4.605 -5.280 1.00 0.00 C ATOM 129 O GLU A 11 -3.271 -5.203 -4.623 1.00 0.00 O ATOM 130 CB GLU A 11 -0.062 -3.854 -4.940 1.00 0.00 C ATOM 131 CG GLU A 11 -0.131 -3.525 -3.438 1.00 0.00 C ATOM 132 CD GLU A 11 -1.570 -3.635 -2.916 1.00 0.00 C ATOM 133 OE1 GLU A 11 -2.345 -2.726 -3.164 1.00 0.00 O ATOM 134 OE2 GLU A 11 -1.869 -4.627 -2.269 1.00 0.00 O ATOM 0 H GLU A 11 -0.006 -4.860 -7.178 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.840 -5.840 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.967 -4.084 -5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.360 -2.981 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.514 -4.206 -2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.246 -2.517 -3.265 1.00 0.00 H new ATOM 141 N ARG A 12 -2.755 -3.554 -5.985 1.00 0.00 N ATOM 142 CA ARG A 12 -4.160 -3.038 -6.006 1.00 0.00 C ATOM 143 C ARG A 12 -5.105 -3.984 -6.759 1.00 0.00 C ATOM 144 O ARG A 12 -6.210 -4.238 -6.317 1.00 0.00 O ATOM 145 CB ARG A 12 -4.195 -1.665 -6.696 1.00 0.00 C ATOM 146 CG ARG A 12 -3.038 -1.540 -7.696 1.00 0.00 C ATOM 147 CD ARG A 12 -1.838 -0.812 -7.060 1.00 0.00 C ATOM 148 NE ARG A 12 -1.932 -0.843 -5.565 1.00 0.00 N ATOM 149 CZ ARG A 12 -0.899 -0.525 -4.829 1.00 0.00 C ATOM 150 NH1 ARG A 12 0.241 -0.239 -5.385 1.00 0.00 N ATOM 151 NH2 ARG A 12 -1.008 -0.505 -3.531 1.00 0.00 N ATOM 0 H ARG A 12 -2.095 -3.023 -6.554 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.495 -2.962 -4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.146 -1.534 -7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.126 -0.874 -5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.732 -2.531 -8.030 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.372 -0.996 -8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.909 -1.283 -7.381 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.808 0.221 -7.406 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.808 -1.114 -5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.333 -0.262 -6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.043 0.008 -4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.898 -0.737 -3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.203 -0.257 -2.955 1.00 0.00 H new ATOM 165 N CYS A 13 -4.712 -4.469 -7.908 1.00 0.00 N ATOM 166 CA CYS A 13 -5.630 -5.349 -8.699 1.00 0.00 C ATOM 167 C CYS A 13 -5.386 -6.839 -8.414 1.00 0.00 C ATOM 168 O CYS A 13 -6.241 -7.662 -8.678 1.00 0.00 O ATOM 169 CB CYS A 13 -5.425 -5.065 -10.190 1.00 0.00 C ATOM 170 SG CYS A 13 -4.312 -6.300 -10.901 1.00 0.00 S ATOM 0 H CYS A 13 -3.801 -4.297 -8.333 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.656 -5.126 -8.405 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.384 -5.085 -10.708 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.009 -4.066 -10.326 1.00 0.00 H new ATOM 175 N LYS A 14 -4.242 -7.200 -7.888 1.00 0.00 N ATOM 176 CA LYS A 14 -3.972 -8.646 -7.604 1.00 0.00 C ATOM 177 C LYS A 14 -4.082 -9.456 -8.899 1.00 0.00 C ATOM 178 O LYS A 14 -4.655 -10.529 -8.927 1.00 0.00 O ATOM 179 CB LYS A 14 -4.977 -9.175 -6.570 1.00 0.00 C ATOM 180 CG LYS A 14 -4.870 -8.358 -5.277 1.00 0.00 C ATOM 181 CD LYS A 14 -3.664 -8.834 -4.457 1.00 0.00 C ATOM 182 CE LYS A 14 -4.001 -10.150 -3.749 1.00 0.00 C ATOM 183 NZ LYS A 14 -3.441 -11.291 -4.527 1.00 0.00 N ATOM 0 H LYS A 14 -3.486 -6.561 -7.643 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.964 -8.748 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.990 -9.112 -6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.781 -10.227 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.765 -7.299 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.784 -8.465 -4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.802 -8.972 -5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.390 -8.076 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.590 -10.148 -2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.081 -10.257 -3.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.216 -11.819 -4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.799 -10.929 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.917 -11.922 -3.888 1.00 0.00 H new ATOM 197 N GLY A 15 -3.521 -8.954 -9.967 1.00 0.00 N ATOM 198 CA GLY A 15 -3.573 -9.693 -11.261 1.00 0.00 C ATOM 199 C GLY A 15 -2.297 -10.521 -11.405 1.00 0.00 C ATOM 200 O GLY A 15 -1.200 -9.998 -11.346 1.00 0.00 O ATOM 0 H GLY A 15 -3.028 -8.062 -9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.449 -10.341 -11.291 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.665 -8.994 -12.092 1.00 0.00 H new ATOM 204 N GLY A 16 -2.431 -11.809 -11.582 1.00 0.00 N ATOM 205 CA GLY A 16 -1.227 -12.679 -11.719 1.00 0.00 C ATOM 206 C GLY A 16 -0.367 -12.198 -12.889 1.00 0.00 C ATOM 207 O GLY A 16 -0.660 -12.467 -14.038 1.00 0.00 O ATOM 0 H GLY A 16 -3.325 -12.297 -11.638 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.646 -12.659 -10.797 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.531 -13.713 -11.881 1.00 0.00 H new ATOM 211 N PHE A 17 0.696 -11.491 -12.602 1.00 0.00 N ATOM 212 CA PHE A 17 1.589 -10.992 -13.691 1.00 0.00 C ATOM 213 C PHE A 17 2.948 -11.693 -13.602 1.00 0.00 C ATOM 214 O PHE A 17 3.129 -12.619 -12.833 1.00 0.00 O ATOM 215 CB PHE A 17 1.775 -9.466 -13.578 1.00 0.00 C ATOM 216 CG PHE A 17 1.925 -9.018 -12.132 1.00 0.00 C ATOM 217 CD1 PHE A 17 2.396 -9.900 -11.147 1.00 0.00 C ATOM 218 CD2 PHE A 17 1.603 -7.697 -11.783 1.00 0.00 C ATOM 219 CE1 PHE A 17 2.539 -9.464 -9.829 1.00 0.00 C ATOM 220 CE2 PHE A 17 1.752 -7.264 -10.462 1.00 0.00 C ATOM 221 CZ PHE A 17 2.220 -8.150 -9.487 1.00 0.00 C ATOM 0 H PHE A 17 0.985 -11.237 -11.657 1.00 0.00 H new ATOM 0 HA PHE A 17 1.130 -11.214 -14.654 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.656 -9.165 -14.145 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.919 -8.962 -14.027 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.648 -10.917 -11.409 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.239 -7.014 -12.536 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.898 -10.146 -9.072 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.506 -6.247 -10.195 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.335 -7.816 -8.466 1.00 0.00 H new ATOM 231 N ALA A 18 3.905 -11.262 -14.383 1.00 0.00 N ATOM 232 CA ALA A 18 5.252 -11.905 -14.345 1.00 0.00 C ATOM 233 C ALA A 18 6.223 -11.157 -15.274 1.00 0.00 C ATOM 234 O ALA A 18 7.264 -10.714 -14.831 1.00 0.00 O ATOM 235 CB ALA A 18 5.142 -13.373 -14.780 1.00 0.00 C ATOM 0 H ALA A 18 3.811 -10.492 -15.046 1.00 0.00 H new ATOM 0 HA ALA A 18 5.635 -11.861 -13.325 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.128 -13.836 -14.750 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.471 -13.903 -14.104 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.748 -13.423 -15.795 1.00 0.00 H new ATOM 241 N PRO A 19 5.865 -11.037 -16.539 1.00 0.00 N ATOM 242 CA PRO A 19 6.717 -10.342 -17.526 1.00 0.00 C ATOM 243 C PRO A 19 6.981 -8.899 -17.084 1.00 0.00 C ATOM 244 O PRO A 19 6.151 -8.274 -16.455 1.00 0.00 O ATOM 245 CB PRO A 19 5.915 -10.374 -18.835 1.00 0.00 C ATOM 246 CG PRO A 19 4.609 -11.165 -18.568 1.00 0.00 C ATOM 247 CD PRO A 19 4.600 -11.571 -17.086 1.00 0.00 C ATOM 0 HA PRO A 19 7.692 -10.816 -17.635 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.688 -9.362 -19.169 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.494 -10.848 -19.627 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.738 -10.553 -18.802 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.560 -12.047 -19.206 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.737 -11.153 -16.567 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.546 -12.654 -16.973 1.00 0.00 H new ATOM 255 N ALA A 20 8.134 -8.372 -17.411 1.00 0.00 N ATOM 256 CA ALA A 20 8.467 -6.970 -17.013 1.00 0.00 C ATOM 257 C ALA A 20 7.410 -6.006 -17.562 1.00 0.00 C ATOM 258 O ALA A 20 7.285 -4.886 -17.108 1.00 0.00 O ATOM 259 CB ALA A 20 9.839 -6.595 -17.577 1.00 0.00 C ATOM 0 H ALA A 20 8.862 -8.854 -17.938 1.00 0.00 H new ATOM 0 HA ALA A 20 8.484 -6.900 -15.925 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.084 -5.573 -17.288 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.593 -7.275 -17.181 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.818 -6.670 -18.664 1.00 0.00 H new ATOM 265 N GLU A 21 6.645 -6.437 -18.530 1.00 0.00 N ATOM 266 CA GLU A 21 5.592 -5.554 -19.104 1.00 0.00 C ATOM 267 C GLU A 21 4.392 -5.544 -18.161 1.00 0.00 C ATOM 268 O GLU A 21 3.756 -4.529 -17.959 1.00 0.00 O ATOM 269 CB GLU A 21 5.161 -6.087 -20.474 1.00 0.00 C ATOM 270 CG GLU A 21 6.399 -6.397 -21.323 1.00 0.00 C ATOM 271 CD GLU A 21 6.792 -7.867 -21.144 1.00 0.00 C ATOM 272 OE1 GLU A 21 6.152 -8.710 -21.752 1.00 0.00 O ATOM 273 OE2 GLU A 21 7.726 -8.125 -20.402 1.00 0.00 O ATOM 0 H GLU A 21 6.706 -7.366 -18.948 1.00 0.00 H new ATOM 0 HA GLU A 21 5.982 -4.543 -19.222 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.558 -6.987 -20.351 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.536 -5.351 -20.981 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.193 -6.191 -22.373 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.226 -5.751 -21.028 1.00 0.00 H new ATOM 280 N LYS A 22 4.085 -6.673 -17.580 1.00 0.00 N ATOM 281 CA LYS A 22 2.930 -6.745 -16.641 1.00 0.00 C ATOM 282 C LYS A 22 3.424 -6.488 -15.216 1.00 0.00 C ATOM 283 O LYS A 22 2.712 -5.953 -14.388 1.00 0.00 O ATOM 284 CB LYS A 22 2.293 -8.137 -16.721 1.00 0.00 C ATOM 285 CG LYS A 22 1.892 -8.442 -18.169 1.00 0.00 C ATOM 286 CD LYS A 22 0.532 -7.804 -18.476 1.00 0.00 C ATOM 287 CE LYS A 22 -0.582 -8.832 -18.260 1.00 0.00 C ATOM 288 NZ LYS A 22 -0.533 -9.854 -19.344 1.00 0.00 N ATOM 0 H LYS A 22 4.586 -7.551 -17.716 1.00 0.00 H new ATOM 0 HA LYS A 22 2.189 -5.993 -16.912 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.995 -8.890 -16.362 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.417 -8.184 -16.074 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.648 -8.057 -18.854 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.841 -9.520 -18.323 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.372 -6.939 -17.832 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.513 -7.443 -19.504 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.465 -9.312 -17.288 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.553 -8.337 -18.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.482 -10.254 -19.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.209 -9.409 -20.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.126 -10.613 -19.076 1.00 0.00 H new ATOM 302 N ILE A 23 4.642 -6.865 -14.927 1.00 0.00 N ATOM 303 CA ILE A 23 5.198 -6.648 -13.562 1.00 0.00 C ATOM 304 C ILE A 23 5.885 -5.279 -13.508 1.00 0.00 C ATOM 305 O ILE A 23 6.784 -4.991 -14.275 1.00 0.00 O ATOM 306 CB ILE A 23 6.210 -7.765 -13.240 1.00 0.00 C ATOM 307 CG1 ILE A 23 5.526 -8.845 -12.387 1.00 0.00 C ATOM 308 CG2 ILE A 23 7.419 -7.200 -12.480 1.00 0.00 C ATOM 309 CD1 ILE A 23 5.341 -8.346 -10.950 1.00 0.00 C ATOM 0 H ILE A 23 5.278 -7.317 -15.584 1.00 0.00 H new ATOM 0 HA ILE A 23 4.395 -6.673 -12.825 1.00 0.00 H new ATOM 0 HB ILE A 23 6.560 -8.199 -14.176 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.558 -9.101 -12.818 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.126 -9.755 -12.389 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.121 -8.005 -12.263 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.912 -6.444 -13.091 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.083 -6.749 -11.546 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.855 -9.120 -10.356 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.314 -8.113 -10.517 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.722 -7.449 -10.953 1.00 0.00 H new ATOM 321 N VAL A 24 5.464 -4.439 -12.602 1.00 0.00 N ATOM 322 CA VAL A 24 6.080 -3.087 -12.471 1.00 0.00 C ATOM 323 C VAL A 24 6.304 -2.806 -10.987 1.00 0.00 C ATOM 324 O VAL A 24 5.544 -2.099 -10.364 1.00 0.00 O ATOM 325 CB VAL A 24 5.134 -2.027 -13.051 1.00 0.00 C ATOM 326 CG1 VAL A 24 5.916 -0.745 -13.346 1.00 0.00 C ATOM 327 CG2 VAL A 24 4.502 -2.546 -14.348 1.00 0.00 C ATOM 0 H VAL A 24 4.712 -4.633 -11.940 1.00 0.00 H new ATOM 0 HA VAL A 24 7.025 -3.053 -13.013 1.00 0.00 H new ATOM 0 HB VAL A 24 4.348 -1.817 -12.325 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.242 0.006 -13.758 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.359 -0.369 -12.424 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.705 -0.958 -14.067 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.832 -1.789 -14.754 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.286 -2.763 -15.073 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.938 -3.455 -14.140 1.00 0.00 H new ATOM 337 N ASN A 25 7.331 -3.367 -10.409 1.00 0.00 N ATOM 338 CA ASN A 25 7.578 -3.141 -8.956 1.00 0.00 C ATOM 339 C ASN A 25 8.200 -1.764 -8.737 1.00 0.00 C ATOM 340 O ASN A 25 9.047 -1.318 -9.487 1.00 0.00 O ATOM 341 CB ASN A 25 8.511 -4.228 -8.417 1.00 0.00 C ATOM 342 CG ASN A 25 9.172 -3.752 -7.120 1.00 0.00 C ATOM 343 OD1 ASN A 25 8.555 -3.750 -6.074 1.00 0.00 O ATOM 344 ND2 ASN A 25 10.411 -3.345 -7.144 1.00 0.00 N ATOM 0 H ASN A 25 8.007 -3.970 -10.878 1.00 0.00 H new ATOM 0 HA ASN A 25 6.629 -3.186 -8.422 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.949 -5.144 -8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.274 -4.465 -9.158 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.860 -3.026 -6.285 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.931 -3.346 -8.021 1.00 0.00 H new ATOM 351 N SER A 26 7.774 -1.095 -7.703 1.00 0.00 N ATOM 352 CA SER A 26 8.308 0.257 -7.393 1.00 0.00 C ATOM 353 C SER A 26 8.003 0.569 -5.926 1.00 0.00 C ATOM 354 O SER A 26 6.968 0.191 -5.417 1.00 0.00 O ATOM 355 CB SER A 26 7.630 1.286 -8.303 1.00 0.00 C ATOM 356 OG SER A 26 6.429 1.744 -7.693 1.00 0.00 O ATOM 0 H SER A 26 7.067 -1.434 -7.050 1.00 0.00 H new ATOM 0 HA SER A 26 9.384 0.294 -7.561 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.301 2.126 -8.483 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.410 0.840 -9.273 1.00 0.00 H new ATOM 0 HG SER A 26 5.977 0.993 -7.255 1.00 0.00 H new ATOM 362 N ASN A 27 8.895 1.240 -5.240 1.00 0.00 N ATOM 363 CA ASN A 27 8.653 1.564 -3.796 1.00 0.00 C ATOM 364 C ASN A 27 8.616 0.269 -2.971 1.00 0.00 C ATOM 365 O ASN A 27 8.575 0.298 -1.756 1.00 0.00 O ATOM 366 CB ASN A 27 7.317 2.324 -3.656 1.00 0.00 C ATOM 367 CG ASN A 27 6.311 1.511 -2.823 1.00 0.00 C ATOM 368 OD1 ASN A 27 5.968 0.403 -3.173 1.00 0.00 O ATOM 369 ND2 ASN A 27 5.822 2.015 -1.728 1.00 0.00 N ATOM 0 H ASN A 27 9.781 1.578 -5.616 1.00 0.00 H new ATOM 0 HA ASN A 27 9.462 2.193 -3.424 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.491 3.290 -3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.901 2.523 -4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.156 1.478 -1.172 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.105 2.947 -1.425 1.00 0.00 H new ATOM 376 N GLY A 28 8.614 -0.863 -3.627 1.00 0.00 N ATOM 377 CA GLY A 28 8.559 -2.165 -2.900 1.00 0.00 C ATOM 378 C GLY A 28 7.248 -2.871 -3.253 1.00 0.00 C ATOM 379 O GLY A 28 7.160 -4.084 -3.236 1.00 0.00 O ATOM 0 H GLY A 28 8.648 -0.941 -4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.410 -2.788 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.621 -2.000 -1.824 1.00 0.00 H new ATOM 383 N GLU A 29 6.229 -2.115 -3.579 1.00 0.00 N ATOM 384 CA GLU A 29 4.915 -2.728 -3.941 1.00 0.00 C ATOM 385 C GLU A 29 4.957 -3.208 -5.393 1.00 0.00 C ATOM 386 O GLU A 29 5.868 -2.896 -6.135 1.00 0.00 O ATOM 387 CB GLU A 29 3.801 -1.685 -3.802 1.00 0.00 C ATOM 388 CG GLU A 29 3.129 -1.813 -2.433 1.00 0.00 C ATOM 389 CD GLU A 29 2.566 -0.451 -2.015 1.00 0.00 C ATOM 390 OE1 GLU A 29 1.508 -0.094 -2.508 1.00 0.00 O ATOM 391 OE2 GLU A 29 3.204 0.214 -1.216 1.00 0.00 O ATOM 0 H GLU A 29 6.252 -1.096 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 29 4.721 -3.568 -3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.213 -0.683 -3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.063 -1.822 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.329 -2.552 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.849 -2.164 -1.693 1.00 0.00 H new ATOM 398 N LEU A 30 3.965 -3.953 -5.802 1.00 0.00 N ATOM 399 CA LEU A 30 3.918 -4.452 -7.205 1.00 0.00 C ATOM 400 C LEU A 30 2.686 -3.864 -7.887 1.00 0.00 C ATOM 401 O LEU A 30 1.585 -3.953 -7.382 1.00 0.00 O ATOM 402 CB LEU A 30 3.817 -5.978 -7.203 1.00 0.00 C ATOM 403 CG LEU A 30 5.194 -6.599 -7.456 1.00 0.00 C ATOM 404 CD1 LEU A 30 6.181 -6.131 -6.384 1.00 0.00 C ATOM 405 CD2 LEU A 30 5.081 -8.126 -7.410 1.00 0.00 C ATOM 0 H LEU A 30 3.179 -4.239 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 30 4.821 -4.154 -7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.425 -6.323 -6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.116 -6.304 -7.971 1.00 0.00 H new ATOM 0 HG LEU A 30 5.553 -6.286 -8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.158 -6.576 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.265 -5.045 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.823 -6.438 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.061 -8.569 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.718 -8.435 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.384 -8.463 -8.178 1.00 0.00 H new ATOM 417 N TYR A 31 2.860 -3.268 -9.032 1.00 0.00 N ATOM 418 CA TYR A 31 1.700 -2.678 -9.749 1.00 0.00 C ATOM 419 C TYR A 31 1.784 -3.051 -11.228 1.00 0.00 C ATOM 420 O TYR A 31 2.829 -3.410 -11.734 1.00 0.00 O ATOM 421 CB TYR A 31 1.690 -1.131 -9.665 1.00 0.00 C ATOM 422 CG TYR A 31 2.471 -0.570 -8.480 1.00 0.00 C ATOM 423 CD1 TYR A 31 3.788 -0.973 -8.220 1.00 0.00 C ATOM 424 CD2 TYR A 31 1.872 0.399 -7.660 1.00 0.00 C ATOM 425 CE1 TYR A 31 4.498 -0.417 -7.152 1.00 0.00 C ATOM 426 CE2 TYR A 31 2.583 0.952 -6.586 1.00 0.00 C ATOM 427 CZ TYR A 31 3.894 0.546 -6.335 1.00 0.00 C ATOM 428 OH TYR A 31 4.594 1.099 -5.285 1.00 0.00 O ATOM 0 H TYR A 31 3.759 -3.164 -9.503 1.00 0.00 H new ATOM 0 HA TYR A 31 0.797 -3.067 -9.279 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.106 -0.724 -10.587 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.658 -0.787 -9.602 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.256 -1.717 -8.848 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.860 0.720 -7.857 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.513 -0.730 -6.957 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.116 1.692 -5.953 1.00 0.00 H new ATOM 0 HH TYR A 31 5.323 0.498 -5.026 1.00 0.00 H new ATOM 438 N HIS A 32 0.692 -2.926 -11.926 1.00 0.00 N ATOM 439 CA HIS A 32 0.684 -3.216 -13.388 1.00 0.00 C ATOM 440 C HIS A 32 1.013 -1.918 -14.109 1.00 0.00 C ATOM 441 O HIS A 32 1.362 -0.929 -13.493 1.00 0.00 O ATOM 442 CB HIS A 32 -0.711 -3.664 -13.830 1.00 0.00 C ATOM 443 CG HIS A 32 -0.833 -5.154 -13.746 1.00 0.00 C ATOM 444 ND1 HIS A 32 -1.587 -5.763 -12.765 1.00 0.00 N ATOM 445 CD2 HIS A 32 -0.333 -6.168 -14.524 1.00 0.00 C ATOM 446 CE1 HIS A 32 -1.526 -7.091 -12.970 1.00 0.00 C ATOM 447 NE2 HIS A 32 -0.775 -7.391 -14.032 1.00 0.00 N ATOM 0 H HIS A 32 -0.206 -2.632 -11.543 1.00 0.00 H new ATOM 0 HA HIS A 32 1.403 -4.003 -13.615 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.467 -3.195 -13.200 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.899 -3.335 -14.852 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.305 -6.036 -15.385 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.023 -7.824 -12.352 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.569 -8.319 -14.403 1.00 0.00 H new ATOM 455 N GLU A 33 0.880 -1.896 -15.400 1.00 0.00 N ATOM 456 CA GLU A 33 1.159 -0.642 -16.139 1.00 0.00 C ATOM 457 C GLU A 33 -0.030 0.300 -15.962 1.00 0.00 C ATOM 458 O GLU A 33 0.052 1.483 -16.235 1.00 0.00 O ATOM 459 CB GLU A 33 1.372 -0.945 -17.626 1.00 0.00 C ATOM 460 CG GLU A 33 2.018 -2.326 -17.781 1.00 0.00 C ATOM 461 CD GLU A 33 0.948 -3.361 -18.149 1.00 0.00 C ATOM 462 OE1 GLU A 33 0.332 -3.895 -17.242 1.00 0.00 O ATOM 463 OE2 GLU A 33 0.768 -3.603 -19.331 1.00 0.00 O ATOM 0 H GLU A 33 0.591 -2.689 -15.974 1.00 0.00 H new ATOM 0 HA GLU A 33 2.064 -0.175 -15.750 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.419 -0.917 -18.154 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.008 -0.182 -18.076 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.787 -2.294 -18.553 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.511 -2.613 -16.852 1.00 0.00 H new ATOM 470 N GLN A 34 -1.135 -0.225 -15.501 1.00 0.00 N ATOM 471 CA GLN A 34 -2.345 0.622 -15.294 1.00 0.00 C ATOM 472 C GLN A 34 -3.039 0.230 -13.985 1.00 0.00 C ATOM 473 O GLN A 34 -4.223 -0.046 -13.955 1.00 0.00 O ATOM 474 CB GLN A 34 -3.310 0.433 -16.471 1.00 0.00 C ATOM 475 CG GLN A 34 -2.607 0.808 -17.780 1.00 0.00 C ATOM 476 CD GLN A 34 -3.642 0.944 -18.899 1.00 0.00 C ATOM 477 OE1 GLN A 34 -4.070 2.035 -19.219 1.00 0.00 O ATOM 478 NE2 GLN A 34 -4.066 -0.127 -19.512 1.00 0.00 N ATOM 0 H GLN A 34 -1.251 -1.209 -15.258 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.046 1.669 -15.236 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.650 -0.602 -16.513 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.195 1.054 -16.331 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.064 1.745 -17.657 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.873 0.046 -18.041 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.707 -1.044 -19.244 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.756 -0.048 -20.259 1.00 0.00 H new ATOM 487 N CYS A 35 -2.309 0.221 -12.900 1.00 0.00 N ATOM 488 CA CYS A 35 -2.916 -0.132 -11.581 1.00 0.00 C ATOM 489 C CYS A 35 -2.440 0.874 -10.533 1.00 0.00 C ATOM 490 O CYS A 35 -3.070 1.050 -9.511 1.00 0.00 O ATOM 491 CB CYS A 35 -2.482 -1.535 -11.150 1.00 0.00 C ATOM 492 SG CYS A 35 -3.358 -2.797 -12.112 1.00 0.00 S ATOM 0 H CYS A 35 -1.314 0.444 -12.870 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.002 -0.108 -11.673 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.406 -1.647 -11.287 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.684 -1.674 -10.088 1.00 0.00 H new ATOM 497 N PHE A 36 -1.330 1.531 -10.784 1.00 0.00 N ATOM 498 CA PHE A 36 -0.797 2.534 -9.808 1.00 0.00 C ATOM 499 C PHE A 36 -1.950 3.391 -9.266 1.00 0.00 C ATOM 500 O PHE A 36 -2.335 4.374 -9.869 1.00 0.00 O ATOM 501 CB PHE A 36 0.214 3.439 -10.514 1.00 0.00 C ATOM 502 CG PHE A 36 1.548 2.740 -10.611 1.00 0.00 C ATOM 503 CD1 PHE A 36 1.730 1.701 -11.527 1.00 0.00 C ATOM 504 CD2 PHE A 36 2.601 3.137 -9.788 1.00 0.00 C ATOM 505 CE1 PHE A 36 2.971 1.059 -11.616 1.00 0.00 C ATOM 506 CE2 PHE A 36 3.841 2.497 -9.872 1.00 0.00 C ATOM 507 CZ PHE A 36 4.027 1.457 -10.787 1.00 0.00 C ATOM 0 H PHE A 36 -0.769 1.414 -11.628 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.313 2.013 -8.982 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.146 3.694 -11.511 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.323 4.375 -9.966 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.915 1.394 -12.165 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.458 3.942 -9.083 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.114 0.256 -12.324 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.654 2.806 -9.231 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.984 0.961 -10.855 1.00 0.00 H new ATOM 517 N VAL A 37 -2.513 3.017 -8.141 1.00 0.00 N ATOM 518 CA VAL A 37 -3.653 3.802 -7.572 1.00 0.00 C ATOM 519 C VAL A 37 -3.143 4.847 -6.587 1.00 0.00 C ATOM 520 O VAL A 37 -1.971 4.926 -6.299 1.00 0.00 O ATOM 521 CB VAL A 37 -4.639 2.872 -6.849 1.00 0.00 C ATOM 522 CG1 VAL A 37 -5.772 2.483 -7.803 1.00 0.00 C ATOM 523 CG2 VAL A 37 -3.927 1.602 -6.378 1.00 0.00 C ATOM 0 H VAL A 37 -2.232 2.203 -7.594 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.162 4.300 -8.397 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.043 3.399 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.471 1.823 -7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.296 3.381 -8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.357 1.968 -8.669 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.639 0.954 -5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.511 1.078 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.123 1.869 -5.692 1.00 0.00 H new ATOM 533 N CYS A 38 -4.030 5.655 -6.076 1.00 0.00 N ATOM 534 CA CYS A 38 -3.629 6.708 -5.102 1.00 0.00 C ATOM 535 C CYS A 38 -3.971 6.244 -3.684 1.00 0.00 C ATOM 536 O CYS A 38 -5.100 5.906 -3.390 1.00 0.00 O ATOM 537 CB CYS A 38 -4.394 7.993 -5.418 1.00 0.00 C ATOM 538 SG CYS A 38 -3.856 9.327 -4.319 1.00 0.00 S ATOM 0 H CYS A 38 -5.026 5.630 -6.294 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.557 6.891 -5.173 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.227 8.278 -6.457 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.465 7.825 -5.301 1.00 0.00 H new ATOM 543 N ALA A 39 -3.004 6.220 -2.807 1.00 0.00 N ATOM 544 CA ALA A 39 -3.260 5.779 -1.402 1.00 0.00 C ATOM 545 C ALA A 39 -4.452 6.549 -0.808 1.00 0.00 C ATOM 546 O ALA A 39 -4.977 6.183 0.227 1.00 0.00 O ATOM 547 CB ALA A 39 -2.012 6.043 -0.550 1.00 0.00 C ATOM 0 H ALA A 39 -2.040 6.489 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.491 4.714 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.197 5.722 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.168 5.486 -0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.783 7.109 -0.561 1.00 0.00 H new ATOM 553 N GLN A 40 -4.878 7.613 -1.447 1.00 0.00 N ATOM 554 CA GLN A 40 -6.029 8.404 -0.910 1.00 0.00 C ATOM 555 C GLN A 40 -7.246 8.266 -1.834 1.00 0.00 C ATOM 556 O GLN A 40 -8.235 7.657 -1.479 1.00 0.00 O ATOM 557 CB GLN A 40 -5.632 9.882 -0.811 1.00 0.00 C ATOM 558 CG GLN A 40 -4.264 10.007 -0.130 1.00 0.00 C ATOM 559 CD GLN A 40 -3.321 10.845 -0.998 1.00 0.00 C ATOM 560 OE1 GLN A 40 -3.478 10.911 -2.198 1.00 0.00 O ATOM 561 NE2 GLN A 40 -2.334 11.486 -0.437 1.00 0.00 N ATOM 0 H GLN A 40 -4.478 7.967 -2.316 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.288 8.024 0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.595 10.326 -1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.383 10.433 -0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.378 10.470 0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.838 9.017 0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.199 11.432 0.573 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.696 12.041 -1.008 1.00 0.00 H new ATOM 570 N CYS A 41 -7.185 8.839 -3.010 1.00 0.00 N ATOM 571 CA CYS A 41 -8.349 8.752 -3.949 1.00 0.00 C ATOM 572 C CYS A 41 -8.424 7.356 -4.574 1.00 0.00 C ATOM 573 O CYS A 41 -9.393 7.011 -5.223 1.00 0.00 O ATOM 574 CB CYS A 41 -8.204 9.804 -5.054 1.00 0.00 C ATOM 575 SG CYS A 41 -6.955 9.276 -6.253 1.00 0.00 S ATOM 0 H CYS A 41 -6.383 9.362 -3.361 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.266 8.938 -3.389 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.161 9.951 -5.555 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.920 10.763 -4.620 1.00 0.00 H new ATOM 580 N PHE A 42 -7.411 6.551 -4.379 1.00 0.00 N ATOM 581 CA PHE A 42 -7.412 5.170 -4.953 1.00 0.00 C ATOM 582 C PHE A 42 -7.595 5.227 -6.473 1.00 0.00 C ATOM 583 O PHE A 42 -7.988 4.259 -7.094 1.00 0.00 O ATOM 584 CB PHE A 42 -8.542 4.346 -4.327 1.00 0.00 C ATOM 585 CG PHE A 42 -8.471 4.452 -2.819 1.00 0.00 C ATOM 586 CD1 PHE A 42 -7.307 4.063 -2.143 1.00 0.00 C ATOM 587 CD2 PHE A 42 -9.569 4.940 -2.098 1.00 0.00 C ATOM 588 CE1 PHE A 42 -7.241 4.163 -0.749 1.00 0.00 C ATOM 589 CE2 PHE A 42 -9.501 5.038 -0.703 1.00 0.00 C ATOM 590 CZ PHE A 42 -8.337 4.650 -0.029 1.00 0.00 C ATOM 0 H PHE A 42 -6.577 6.792 -3.843 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.455 4.698 -4.730 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.508 4.706 -4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.458 3.303 -4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.461 3.686 -2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.467 5.240 -2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.343 3.864 -0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.347 5.413 -0.147 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.285 4.727 1.047 1.00 0.00 H new ATOM 600 N GLN A 43 -7.302 6.348 -7.078 1.00 0.00 N ATOM 601 CA GLN A 43 -7.444 6.457 -8.558 1.00 0.00 C ATOM 602 C GLN A 43 -6.205 5.837 -9.204 1.00 0.00 C ATOM 603 O GLN A 43 -5.090 6.140 -8.823 1.00 0.00 O ATOM 604 CB GLN A 43 -7.556 7.933 -8.958 1.00 0.00 C ATOM 605 CG GLN A 43 -7.751 8.051 -10.474 1.00 0.00 C ATOM 606 CD GLN A 43 -9.018 7.302 -10.894 1.00 0.00 C ATOM 607 OE1 GLN A 43 -8.911 6.148 -11.494 1.00 0.00 O flip ATOM 608 NE2 GLN A 43 -10.117 7.770 -10.671 1.00 0.00 N flip ATOM 0 H GLN A 43 -6.971 7.192 -6.611 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.341 5.936 -8.891 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.394 8.397 -8.438 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.657 8.470 -8.656 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -7.826 9.100 -10.760 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -6.886 7.640 -10.994 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.202 8.672 -10.202 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.955 7.261 -10.953 1.00 0.00 H new ATOM 617 N GLN A 44 -6.389 4.963 -10.165 1.00 0.00 N ATOM 618 CA GLN A 44 -5.223 4.312 -10.821 1.00 0.00 C ATOM 619 C GLN A 44 -4.447 5.323 -11.661 1.00 0.00 C ATOM 620 O GLN A 44 -4.816 6.476 -11.777 1.00 0.00 O ATOM 621 CB GLN A 44 -5.707 3.173 -11.717 1.00 0.00 C ATOM 622 CG GLN A 44 -6.594 3.722 -12.842 1.00 0.00 C ATOM 623 CD GLN A 44 -6.028 3.290 -14.198 1.00 0.00 C ATOM 624 OE1 GLN A 44 -4.900 3.796 -14.613 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -6.619 2.482 -14.885 1.00 0.00 N flip ATOM 0 H GLN A 44 -7.301 4.675 -10.520 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.564 3.918 -10.047 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.852 2.647 -12.142 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.265 2.448 -11.125 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.614 3.354 -12.728 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.640 4.810 -12.785 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.501 2.086 -14.561 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.233 2.199 -15.786 1.00 0.00 H new ATOM 634 N PHE A 45 -3.370 4.883 -12.245 1.00 0.00 N ATOM 635 CA PHE A 45 -2.538 5.789 -13.087 1.00 0.00 C ATOM 636 C PHE A 45 -1.764 4.949 -14.114 1.00 0.00 C ATOM 637 O PHE A 45 -0.979 4.098 -13.743 1.00 0.00 O ATOM 638 CB PHE A 45 -1.558 6.551 -12.189 1.00 0.00 C ATOM 639 CG PHE A 45 -1.256 7.901 -12.797 1.00 0.00 C ATOM 640 CD1 PHE A 45 -0.370 7.999 -13.874 1.00 0.00 C ATOM 641 CD2 PHE A 45 -1.863 9.052 -12.281 1.00 0.00 C ATOM 642 CE1 PHE A 45 -0.088 9.249 -14.437 1.00 0.00 C ATOM 643 CE2 PHE A 45 -1.581 10.303 -12.843 1.00 0.00 C ATOM 644 CZ PHE A 45 -0.692 10.402 -13.921 1.00 0.00 C ATOM 0 H PHE A 45 -3.026 3.925 -12.175 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.174 6.503 -13.611 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.984 6.677 -11.194 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.637 5.980 -12.072 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.097 7.110 -14.272 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.548 8.975 -11.450 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.596 9.324 -15.270 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.049 11.192 -12.445 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.473 11.367 -14.354 1.00 0.00 H new ATOM 654 N PRO A 46 -2.014 5.206 -15.380 1.00 0.00 N ATOM 655 CA PRO A 46 -1.351 4.473 -16.479 1.00 0.00 C ATOM 656 C PRO A 46 0.159 4.744 -16.475 1.00 0.00 C ATOM 657 O PRO A 46 0.711 5.236 -15.510 1.00 0.00 O ATOM 658 CB PRO A 46 -1.994 5.021 -17.760 1.00 0.00 C ATOM 659 CG PRO A 46 -2.977 6.147 -17.352 1.00 0.00 C ATOM 660 CD PRO A 46 -2.974 6.238 -15.818 1.00 0.00 C ATOM 0 HA PRO A 46 -1.473 3.394 -16.386 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.231 5.407 -18.436 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.520 4.229 -18.292 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.674 7.097 -17.792 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.980 5.931 -17.720 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.670 7.229 -15.481 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.967 6.053 -15.409 1.00 0.00 H new ATOM 668 N GLU A 47 0.827 4.421 -17.555 1.00 0.00 N ATOM 669 CA GLU A 47 2.303 4.650 -17.641 1.00 0.00 C ATOM 670 C GLU A 47 3.043 3.661 -16.733 1.00 0.00 C ATOM 671 O GLU A 47 4.254 3.558 -16.777 1.00 0.00 O ATOM 672 CB GLU A 47 2.632 6.087 -17.213 1.00 0.00 C ATOM 673 CG GLU A 47 3.821 6.608 -18.027 1.00 0.00 C ATOM 674 CD GLU A 47 3.345 7.029 -19.421 1.00 0.00 C ATOM 675 OE1 GLU A 47 2.771 8.099 -19.532 1.00 0.00 O ATOM 676 OE2 GLU A 47 3.562 6.271 -20.353 1.00 0.00 O ATOM 0 H GLU A 47 0.409 4.005 -18.387 1.00 0.00 H new ATOM 0 HA GLU A 47 2.624 4.497 -18.671 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.765 6.730 -17.365 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.867 6.115 -16.149 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.280 7.455 -17.517 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.584 5.834 -18.111 1.00 0.00 H new ATOM 683 N GLY A 48 2.332 2.935 -15.908 1.00 0.00 N ATOM 684 CA GLY A 48 3.001 1.959 -15.001 1.00 0.00 C ATOM 685 C GLY A 48 3.884 2.708 -14.005 1.00 0.00 C ATOM 686 O GLY A 48 4.838 2.169 -13.480 1.00 0.00 O ATOM 0 H GLY A 48 1.316 2.977 -15.825 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.254 1.370 -14.469 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.603 1.260 -15.582 1.00 0.00 H new ATOM 690 N LEU A 49 3.569 3.948 -13.741 1.00 0.00 N ATOM 691 CA LEU A 49 4.382 4.743 -12.777 1.00 0.00 C ATOM 692 C LEU A 49 3.733 6.111 -12.569 1.00 0.00 C ATOM 693 O LEU A 49 3.162 6.685 -13.477 1.00 0.00 O ATOM 694 CB LEU A 49 5.802 4.938 -13.326 1.00 0.00 C ATOM 695 CG LEU A 49 6.728 5.420 -12.201 1.00 0.00 C ATOM 696 CD1 LEU A 49 8.090 4.732 -12.324 1.00 0.00 C ATOM 697 CD2 LEU A 49 6.915 6.938 -12.302 1.00 0.00 C ATOM 0 H LEU A 49 2.780 4.446 -14.154 1.00 0.00 H new ATOM 0 HA LEU A 49 4.431 4.209 -11.828 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.174 4.001 -13.741 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.792 5.664 -14.139 1.00 0.00 H new ATOM 0 HG LEU A 49 6.281 5.172 -11.238 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.745 5.076 -11.524 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.961 3.652 -12.248 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.535 4.977 -13.288 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.573 7.278 -11.502 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.358 7.187 -13.266 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.947 7.431 -12.210 1.00 0.00 H new ATOM 709 N PHE A 50 3.831 6.640 -11.381 1.00 0.00 N ATOM 710 CA PHE A 50 3.242 7.978 -11.100 1.00 0.00 C ATOM 711 C PHE A 50 3.912 8.562 -9.850 1.00 0.00 C ATOM 712 O PHE A 50 5.116 8.477 -9.700 1.00 0.00 O ATOM 713 CB PHE A 50 1.715 7.856 -10.923 1.00 0.00 C ATOM 714 CG PHE A 50 1.331 7.112 -9.650 1.00 0.00 C ATOM 715 CD1 PHE A 50 2.278 6.399 -8.898 1.00 0.00 C ATOM 716 CD2 PHE A 50 -0.002 7.147 -9.227 1.00 0.00 C ATOM 717 CE1 PHE A 50 1.882 5.732 -7.731 1.00 0.00 C ATOM 718 CE2 PHE A 50 -0.391 6.479 -8.061 1.00 0.00 C ATOM 719 CZ PHE A 50 0.552 5.773 -7.315 1.00 0.00 C ATOM 0 H PHE A 50 4.297 6.199 -10.588 1.00 0.00 H new ATOM 0 HA PHE A 50 3.420 8.653 -11.937 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.274 8.853 -10.904 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.293 7.337 -11.784 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.309 6.365 -9.218 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.734 7.692 -9.803 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.610 5.184 -7.151 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.421 6.510 -7.739 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.252 5.258 -6.415 1.00 0.00 H new ATOM 729 N TYR A 51 3.166 9.147 -8.952 1.00 0.00 N ATOM 730 CA TYR A 51 3.803 9.716 -7.731 1.00 0.00 C ATOM 731 C TYR A 51 3.869 8.638 -6.645 1.00 0.00 C ATOM 732 O TYR A 51 3.487 8.852 -5.509 1.00 0.00 O ATOM 733 CB TYR A 51 2.996 10.925 -7.243 1.00 0.00 C ATOM 734 CG TYR A 51 3.792 12.182 -7.503 1.00 0.00 C ATOM 735 CD1 TYR A 51 4.982 12.411 -6.803 1.00 0.00 C ATOM 736 CD2 TYR A 51 3.343 13.113 -8.446 1.00 0.00 C ATOM 737 CE1 TYR A 51 5.724 13.572 -7.045 1.00 0.00 C ATOM 738 CE2 TYR A 51 4.085 14.275 -8.688 1.00 0.00 C ATOM 739 CZ TYR A 51 5.275 14.504 -7.988 1.00 0.00 C ATOM 740 OH TYR A 51 6.007 15.650 -8.227 1.00 0.00 O ATOM 0 H TYR A 51 2.153 9.255 -9.010 1.00 0.00 H new ATOM 0 HA TYR A 51 4.816 10.046 -7.962 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.038 10.972 -7.760 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.780 10.829 -6.179 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.328 11.691 -6.076 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.425 12.935 -8.987 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.642 13.749 -6.505 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.739 14.995 -9.415 1.00 0.00 H new ATOM 0 HH TYR A 51 5.557 16.189 -8.910 1.00 0.00 H new ATOM 750 N GLU A 52 4.363 7.477 -6.989 1.00 0.00 N ATOM 751 CA GLU A 52 4.470 6.379 -5.989 1.00 0.00 C ATOM 752 C GLU A 52 5.506 6.776 -4.930 1.00 0.00 C ATOM 753 O GLU A 52 6.270 7.703 -5.122 1.00 0.00 O ATOM 754 CB GLU A 52 4.881 5.076 -6.702 1.00 0.00 C ATOM 755 CG GLU A 52 6.409 4.948 -6.760 1.00 0.00 C ATOM 756 CD GLU A 52 6.987 6.053 -7.650 1.00 0.00 C ATOM 757 OE1 GLU A 52 6.528 6.183 -8.776 1.00 0.00 O ATOM 758 OE2 GLU A 52 7.878 6.750 -7.194 1.00 0.00 O ATOM 0 H GLU A 52 4.698 7.244 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 52 3.510 6.213 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.459 4.219 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.471 5.064 -7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.828 5.020 -5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.687 3.970 -7.152 1.00 0.00 H new ATOM 765 N PHE A 53 5.536 6.097 -3.816 1.00 0.00 N ATOM 766 CA PHE A 53 6.524 6.458 -2.754 1.00 0.00 C ATOM 767 C PHE A 53 6.818 5.232 -1.895 1.00 0.00 C ATOM 768 O PHE A 53 5.949 4.433 -1.635 1.00 0.00 O ATOM 769 CB PHE A 53 5.941 7.571 -1.876 1.00 0.00 C ATOM 770 CG PHE A 53 6.875 8.760 -1.868 1.00 0.00 C ATOM 771 CD1 PHE A 53 7.951 8.797 -0.973 1.00 0.00 C ATOM 772 CD2 PHE A 53 6.665 9.825 -2.754 1.00 0.00 C ATOM 773 CE1 PHE A 53 8.816 9.897 -0.963 1.00 0.00 C ATOM 774 CE2 PHE A 53 7.531 10.926 -2.743 1.00 0.00 C ATOM 775 CZ PHE A 53 8.607 10.961 -1.848 1.00 0.00 C ATOM 0 H PHE A 53 4.924 5.312 -3.594 1.00 0.00 H new ATOM 0 HA PHE A 53 7.448 6.805 -3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.962 7.868 -2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.794 7.206 -0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.114 7.976 -0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.836 9.797 -3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.645 9.925 -0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.369 11.748 -3.425 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.276 11.809 -1.840 1.00 0.00 H new ATOM 785 N GLU A 54 8.036 5.075 -1.449 1.00 0.00 N ATOM 786 CA GLU A 54 8.375 3.889 -0.605 1.00 0.00 C ATOM 787 C GLU A 54 7.469 3.872 0.630 1.00 0.00 C ATOM 788 O GLU A 54 7.482 4.781 1.437 1.00 0.00 O ATOM 789 CB GLU A 54 9.844 3.967 -0.170 1.00 0.00 C ATOM 790 CG GLU A 54 10.224 5.421 0.133 1.00 0.00 C ATOM 791 CD GLU A 54 11.437 5.449 1.065 1.00 0.00 C ATOM 792 OE1 GLU A 54 12.549 5.439 0.561 1.00 0.00 O ATOM 793 OE2 GLU A 54 11.235 5.481 2.269 1.00 0.00 O ATOM 0 H GLU A 54 8.810 5.714 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 54 8.222 2.976 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.004 3.349 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.486 3.571 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.452 5.949 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.384 5.938 0.597 1.00 0.00 H new ATOM 800 N GLY A 55 6.675 2.843 0.772 1.00 0.00 N ATOM 801 CA GLY A 55 5.755 2.755 1.943 1.00 0.00 C ATOM 802 C GLY A 55 4.442 3.480 1.625 1.00 0.00 C ATOM 803 O GLY A 55 3.488 3.401 2.373 1.00 0.00 O ATOM 0 H GLY A 55 6.625 2.057 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.556 1.711 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.224 3.200 2.820 1.00 0.00 H new ATOM 807 N ARG A 56 4.388 4.187 0.522 1.00 0.00 N ATOM 808 CA ARG A 56 3.136 4.919 0.158 1.00 0.00 C ATOM 809 C ARG A 56 2.914 4.854 -1.358 1.00 0.00 C ATOM 810 O ARG A 56 3.594 4.141 -2.069 1.00 0.00 O ATOM 811 CB ARG A 56 3.250 6.389 0.579 1.00 0.00 C ATOM 812 CG ARG A 56 3.979 6.501 1.922 1.00 0.00 C ATOM 813 CD ARG A 56 4.042 7.970 2.342 1.00 0.00 C ATOM 814 NE ARG A 56 4.935 8.718 1.407 1.00 0.00 N ATOM 815 CZ ARG A 56 4.907 10.025 1.368 1.00 0.00 C ATOM 816 NH1 ARG A 56 4.097 10.688 2.147 1.00 0.00 N ATOM 817 NH2 ARG A 56 5.690 10.667 0.547 1.00 0.00 N ATOM 0 H ARG A 56 5.157 4.288 -0.141 1.00 0.00 H new ATOM 0 HA ARG A 56 2.297 4.452 0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.789 6.952 -0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.256 6.830 0.659 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.459 5.916 2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.986 6.091 1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.043 8.405 2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.416 8.052 3.363 1.00 0.00 H new ATOM 0 HE ARG A 56 5.571 8.206 0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.483 10.187 2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.078 11.707 2.114 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.323 10.150 -0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.670 11.686 0.515 1.00 0.00 H new ATOM 831 N LYS A 57 1.955 5.591 -1.854 1.00 0.00 N ATOM 832 CA LYS A 57 1.675 5.576 -3.318 1.00 0.00 C ATOM 833 C LYS A 57 0.648 6.664 -3.648 1.00 0.00 C ATOM 834 O LYS A 57 -0.451 6.665 -3.131 1.00 0.00 O ATOM 835 CB LYS A 57 1.119 4.206 -3.703 1.00 0.00 C ATOM 836 CG LYS A 57 0.155 3.729 -2.610 1.00 0.00 C ATOM 837 CD LYS A 57 -0.750 2.640 -3.172 1.00 0.00 C ATOM 838 CE LYS A 57 -1.525 3.205 -4.357 1.00 0.00 C ATOM 839 NZ LYS A 57 -0.921 2.702 -5.625 1.00 0.00 N ATOM 0 H LYS A 57 1.352 6.204 -1.305 1.00 0.00 H new ATOM 0 HA LYS A 57 2.592 5.767 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.601 4.266 -4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.933 3.491 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.716 3.347 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.444 4.565 -2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.157 1.781 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.439 2.289 -2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.572 2.908 -4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.501 4.295 -4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.043 3.413 -6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.093 2.523 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.391 1.818 -5.907 1.00 0.00 H new ATOM 853 N TYR A 58 0.995 7.599 -4.496 1.00 0.00 N ATOM 854 CA TYR A 58 0.032 8.689 -4.840 1.00 0.00 C ATOM 855 C TYR A 58 0.118 9.023 -6.325 1.00 0.00 C ATOM 856 O TYR A 58 1.114 8.780 -6.976 1.00 0.00 O ATOM 857 CB TYR A 58 0.375 9.954 -4.049 1.00 0.00 C ATOM 858 CG TYR A 58 0.541 9.614 -2.590 1.00 0.00 C ATOM 859 CD1 TYR A 58 -0.585 9.418 -1.783 1.00 0.00 C ATOM 860 CD2 TYR A 58 1.824 9.507 -2.043 1.00 0.00 C ATOM 861 CE1 TYR A 58 -0.426 9.114 -0.427 1.00 0.00 C ATOM 862 CE2 TYR A 58 1.984 9.207 -0.690 1.00 0.00 C ATOM 863 CZ TYR A 58 0.858 9.009 0.121 1.00 0.00 C ATOM 864 OH TYR A 58 1.012 8.714 1.459 1.00 0.00 O ATOM 0 H TYR A 58 1.900 7.655 -4.963 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.973 8.346 -4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.293 10.398 -4.435 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.414 10.696 -4.172 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.575 9.501 -2.206 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.691 9.657 -2.669 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.294 8.960 0.197 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.975 9.127 -0.268 1.00 0.00 H new ATOM 0 HH TYR A 58 0.259 8.165 1.762 1.00 0.00 H new ATOM 874 N CYS A 59 -0.917 9.612 -6.851 1.00 0.00 N ATOM 875 CA CYS A 59 -0.908 10.010 -8.280 1.00 0.00 C ATOM 876 C CYS A 59 -0.637 11.508 -8.344 1.00 0.00 C ATOM 877 O CYS A 59 -0.447 12.152 -7.331 1.00 0.00 O ATOM 878 CB CYS A 59 -2.267 9.703 -8.916 1.00 0.00 C ATOM 879 SG CYS A 59 -3.595 10.243 -7.812 1.00 0.00 S ATOM 0 H CYS A 59 -1.775 9.836 -6.346 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.141 9.458 -8.823 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.352 10.210 -9.877 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.355 8.634 -9.110 1.00 0.00 H new ATOM 884 N GLU A 60 -0.623 12.075 -9.515 1.00 0.00 N ATOM 885 CA GLU A 60 -0.371 13.537 -9.620 1.00 0.00 C ATOM 886 C GLU A 60 -1.588 14.299 -9.084 1.00 0.00 C ATOM 887 O GLU A 60 -1.702 15.489 -9.255 1.00 0.00 O ATOM 888 CB GLU A 60 -0.133 13.910 -11.090 1.00 0.00 C ATOM 889 CG GLU A 60 1.008 14.930 -11.191 1.00 0.00 C ATOM 890 CD GLU A 60 2.164 14.329 -11.996 1.00 0.00 C ATOM 891 OE1 GLU A 60 2.776 13.392 -11.509 1.00 0.00 O ATOM 892 OE2 GLU A 60 2.419 14.817 -13.084 1.00 0.00 O ATOM 0 H GLU A 60 -0.774 11.592 -10.401 1.00 0.00 H new ATOM 0 HA GLU A 60 0.510 13.802 -9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.113 13.018 -11.666 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.044 14.326 -11.521 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.653 15.842 -11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.351 15.207 -10.194 1.00 0.00 H new ATOM 899 N HIS A 61 -2.504 13.621 -8.442 1.00 0.00 N ATOM 900 CA HIS A 61 -3.710 14.323 -7.911 1.00 0.00 C ATOM 901 C HIS A 61 -3.394 14.945 -6.542 1.00 0.00 C ATOM 902 O HIS A 61 -3.247 16.146 -6.422 1.00 0.00 O ATOM 903 CB HIS A 61 -4.882 13.320 -7.822 1.00 0.00 C ATOM 904 CG HIS A 61 -5.561 13.390 -6.476 1.00 0.00 C ATOM 905 ND1 HIS A 61 -5.651 12.292 -5.626 1.00 0.00 N ATOM 906 CD2 HIS A 61 -6.180 14.424 -5.816 1.00 0.00 C ATOM 907 CE1 HIS A 61 -6.298 12.693 -4.518 1.00 0.00 C ATOM 908 NE2 HIS A 61 -6.641 13.982 -4.581 1.00 0.00 N ATOM 0 H HIS A 61 -2.470 12.617 -8.263 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.999 15.132 -8.582 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.606 13.532 -8.609 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.512 12.309 -7.993 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.292 15.428 -6.199 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.514 12.050 -3.678 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.136 14.526 -3.874 1.00 0.00 H new ATOM 916 N ASP A 62 -3.293 14.152 -5.512 1.00 0.00 N ATOM 917 CA ASP A 62 -2.993 14.720 -4.167 1.00 0.00 C ATOM 918 C ASP A 62 -1.623 15.383 -4.201 1.00 0.00 C ATOM 919 O ASP A 62 -1.375 16.371 -3.534 1.00 0.00 O ATOM 920 CB ASP A 62 -2.971 13.596 -3.128 1.00 0.00 C ATOM 921 CG ASP A 62 -4.013 13.877 -2.040 1.00 0.00 C ATOM 922 OD1 ASP A 62 -3.773 14.762 -1.235 1.00 0.00 O ATOM 923 OD2 ASP A 62 -5.028 13.203 -2.026 1.00 0.00 O ATOM 0 H ASP A 62 -3.405 13.139 -5.542 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.758 15.450 -3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.181 12.640 -3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.979 13.518 -2.683 1.00 0.00 H new ATOM 928 N PHE A 63 -0.729 14.822 -4.959 1.00 0.00 N ATOM 929 CA PHE A 63 0.645 15.366 -5.034 1.00 0.00 C ATOM 930 C PHE A 63 0.704 16.662 -5.851 1.00 0.00 C ATOM 931 O PHE A 63 1.442 17.563 -5.499 1.00 0.00 O ATOM 932 CB PHE A 63 1.549 14.287 -5.607 1.00 0.00 C ATOM 933 CG PHE A 63 2.188 13.581 -4.441 1.00 0.00 C ATOM 934 CD1 PHE A 63 1.382 12.977 -3.469 1.00 0.00 C ATOM 935 CD2 PHE A 63 3.572 13.548 -4.317 1.00 0.00 C ATOM 936 CE1 PHE A 63 1.967 12.338 -2.374 1.00 0.00 C ATOM 937 CE2 PHE A 63 4.160 12.904 -3.223 1.00 0.00 C ATOM 938 CZ PHE A 63 3.358 12.297 -2.252 1.00 0.00 C ATOM 0 H PHE A 63 -0.897 13.998 -5.537 1.00 0.00 H new ATOM 0 HA PHE A 63 0.988 15.636 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.976 13.587 -6.214 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.308 14.725 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.307 13.005 -3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.193 14.019 -5.065 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.345 11.876 -1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.235 12.876 -3.128 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.813 11.797 -1.409 1.00 0.00 H new ATOM 948 N GLN A 64 -0.065 16.810 -6.908 1.00 0.00 N ATOM 949 CA GLN A 64 0.009 18.112 -7.643 1.00 0.00 C ATOM 950 C GLN A 64 -0.585 19.191 -6.742 1.00 0.00 C ATOM 951 O GLN A 64 -0.241 20.353 -6.831 1.00 0.00 O ATOM 952 CB GLN A 64 -0.753 18.059 -8.974 1.00 0.00 C ATOM 953 CG GLN A 64 -2.267 18.094 -8.725 1.00 0.00 C ATOM 954 CD GLN A 64 -2.764 19.542 -8.753 1.00 0.00 C ATOM 955 OE1 GLN A 64 -3.357 20.012 -7.802 1.00 0.00 O ATOM 956 NE2 GLN A 64 -2.548 20.274 -9.810 1.00 0.00 N ATOM 0 H GLN A 64 -0.714 16.117 -7.280 1.00 0.00 H new ATOM 0 HA GLN A 64 1.050 18.332 -7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.462 18.902 -9.601 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.488 17.151 -9.516 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.783 17.508 -9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.497 17.640 -7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.050 19.881 -10.609 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.876 21.239 -9.838 1.00 0.00 H new ATOM 965 N MET A 65 -1.456 18.795 -5.849 1.00 0.00 N ATOM 966 CA MET A 65 -2.058 19.771 -4.904 1.00 0.00 C ATOM 967 C MET A 65 -0.931 20.312 -4.031 1.00 0.00 C ATOM 968 O MET A 65 -0.838 21.496 -3.773 1.00 0.00 O ATOM 969 CB MET A 65 -3.105 19.069 -4.031 1.00 0.00 C ATOM 970 CG MET A 65 -4.091 20.100 -3.474 1.00 0.00 C ATOM 971 SD MET A 65 -3.377 20.886 -2.007 1.00 0.00 S ATOM 972 CE MET A 65 -3.578 22.604 -2.544 1.00 0.00 C ATOM 0 H MET A 65 -1.775 17.833 -5.737 1.00 0.00 H new ATOM 0 HA MET A 65 -2.550 20.581 -5.443 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.639 18.321 -4.618 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.615 18.542 -3.213 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.314 20.852 -4.231 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.034 19.616 -3.218 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.179 23.273 -1.781 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.040 22.758 -3.479 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.636 22.817 -2.695 1.00 0.00 H new ATOM 982 N LEU A 66 -0.046 19.443 -3.608 1.00 0.00 N ATOM 983 CA LEU A 66 1.113 19.894 -2.784 1.00 0.00 C ATOM 984 C LEU A 66 2.038 20.692 -3.699 1.00 0.00 C ATOM 985 O LEU A 66 2.874 21.454 -3.255 1.00 0.00 O ATOM 986 CB LEU A 66 1.881 18.681 -2.240 1.00 0.00 C ATOM 987 CG LEU A 66 0.909 17.556 -1.879 1.00 0.00 C ATOM 988 CD1 LEU A 66 1.683 16.396 -1.245 1.00 0.00 C ATOM 989 CD2 LEU A 66 -0.141 18.071 -0.888 1.00 0.00 C ATOM 0 H LEU A 66 -0.078 18.442 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 66 0.766 20.494 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.594 18.329 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.456 18.970 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 66 0.409 17.211 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.991 15.594 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.423 16.023 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.186 16.744 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.830 17.265 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.354 18.422 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.696 18.893 -1.340 1.00 0.00 H new ATOM 1001 N PHE A 67 1.878 20.504 -4.986 1.00 0.00 N ATOM 1002 CA PHE A 67 2.718 21.218 -5.987 1.00 0.00 C ATOM 1003 C PHE A 67 4.141 20.651 -5.962 1.00 0.00 C ATOM 1004 O PHE A 67 5.052 21.211 -6.541 1.00 0.00 O ATOM 1005 CB PHE A 67 2.746 22.721 -5.674 1.00 0.00 C ATOM 1006 CG PHE A 67 2.532 23.508 -6.946 1.00 0.00 C ATOM 1007 CD1 PHE A 67 3.612 23.763 -7.801 1.00 0.00 C ATOM 1008 CD2 PHE A 67 1.255 23.980 -7.271 1.00 0.00 C ATOM 1009 CE1 PHE A 67 3.414 24.493 -8.979 1.00 0.00 C ATOM 1010 CE2 PHE A 67 1.057 24.709 -8.451 1.00 0.00 C ATOM 1011 CZ PHE A 67 2.137 24.966 -9.304 1.00 0.00 C ATOM 0 H PHE A 67 1.186 19.872 -5.389 1.00 0.00 H new ATOM 0 HA PHE A 67 2.292 21.074 -6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.971 22.966 -4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.701 22.991 -5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.597 23.397 -7.552 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.422 23.782 -6.612 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.247 24.691 -9.637 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.072 25.073 -8.702 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.985 25.529 -10.213 1.00 0.00 H new ATOM 1021 N ALA A 68 4.333 19.536 -5.298 1.00 0.00 N ATOM 1022 CA ALA A 68 5.690 18.913 -5.228 1.00 0.00 C ATOM 1023 C ALA A 68 6.721 19.956 -4.768 1.00 0.00 C ATOM 1024 O ALA A 68 7.522 20.423 -5.555 1.00 0.00 O ATOM 1025 CB ALA A 68 6.076 18.375 -6.611 1.00 0.00 C ATOM 0 H ALA A 68 3.602 19.029 -4.799 1.00 0.00 H new ATOM 0 HA ALA A 68 5.674 18.092 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.065 17.920 -6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.348 17.627 -6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.089 19.194 -7.330 1.00 0.00 H new ATOM 1031 N PRO A 69 6.666 20.291 -3.501 1.00 0.00 N ATOM 1032 CA PRO A 69 7.586 21.279 -2.909 1.00 0.00 C ATOM 1033 C PRO A 69 9.034 20.781 -3.011 1.00 0.00 C ATOM 1034 O PRO A 69 9.487 19.987 -2.210 1.00 0.00 O ATOM 1035 CB PRO A 69 7.148 21.394 -1.439 1.00 0.00 C ATOM 1036 CG PRO A 69 5.967 20.413 -1.222 1.00 0.00 C ATOM 1037 CD PRO A 69 5.686 19.714 -2.562 1.00 0.00 C ATOM 0 HA PRO A 69 7.550 22.242 -3.419 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.976 21.150 -0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.844 22.415 -1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.215 19.681 -0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 69 5.083 20.950 -0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.807 18.634 -2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 69 4.664 19.895 -2.896 1.00 0.00 H new ATOM 1045 N CYS A 70 9.757 21.242 -3.999 1.00 0.00 N ATOM 1046 CA CYS A 70 11.174 20.801 -4.164 1.00 0.00 C ATOM 1047 C CYS A 70 12.069 21.578 -3.193 1.00 0.00 C ATOM 1048 O CYS A 70 11.856 22.771 -3.046 1.00 0.00 O ATOM 1049 CB CYS A 70 11.624 21.067 -5.602 1.00 0.00 C ATOM 1050 SG CYS A 70 10.568 20.144 -6.746 1.00 0.00 S ATOM 0 H CYS A 70 9.426 21.906 -4.699 1.00 0.00 H new ATOM 0 HA CYS A 70 11.251 19.735 -3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.569 22.134 -5.820 1.00 0.00 H new ATOM 0 HB3 CYS A 70 12.665 20.769 -5.730 1.00 0.00 H new ATOM 0 HG CYS A 70 9.334 20.203 -6.341 1.00 0.00 H new TER 1056 CYS A 70 HETATM 1057 ZN ZN A 998 -2.598 -4.826 -11.319 1.00 0.00 ZN HETATM 1058 ZN ZN A 999 -4.986 10.436 -5.990 1.00 0.00 ZN