USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 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 Single : A 7 ASN : amide:sc= 1.06 K(o=1.1,f=-0.13) USER MOD Single : A 12 THR OG1 : rot 55:sc= 0.276 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc=-0.00864 F(o=-1.2,f=-0.0086) USER MOD Single : A 27 LYS NZ :NH3+ 137:sc= 0.775 (180deg=0.575) USER MOD Single : A 29 TYR OH : rot -140:sc= -0.799 USER MOD Single : A 31 SER OG : rot -99:sc= -0.123 USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= -0.0291 (180deg=-0.163) USER MOD Single : A 38 TYR OH : rot 180:sc=-0.00474 USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= -0.869 (180deg=-1.47!) USER MOD Single : A 43 MET CE :methyl -154:sc= -0.153 (180deg=-1.32) USER MOD Single : A 46 HIS : no HE2:sc= 0.62 K(o=0.62,f=-4.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 150:sc= -0.0389 USER MOD Single : A 63 ASN : amide:sc= -0.484 K(o=-0.48,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 2.511 -3.663 -12.609 1.00 0.00 N ATOM 2 CA ASN A 7 2.496 -2.710 -11.521 1.00 0.00 C ATOM 3 C ASN A 7 1.911 -1.371 -11.942 1.00 0.00 C ATOM 4 O ASN A 7 2.563 -0.555 -12.578 1.00 0.00 O ATOM 5 CB ASN A 7 3.863 -2.576 -10.773 1.00 0.00 C ATOM 6 CG ASN A 7 5.132 -2.305 -11.615 1.00 0.00 C ATOM 7 OD1 ASN A 7 6.213 -2.731 -11.232 1.00 0.00 O ATOM 8 ND2 ASN A 7 5.039 -1.589 -12.704 1.00 0.00 N ATOM 0 HA ASN A 7 1.819 -3.126 -10.775 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.767 -1.770 -10.046 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.026 -3.495 -10.210 1.00 0.00 H new ATOM 0 HD21 ASN A 7 5.875 -1.378 -13.248 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.130 -1.241 -13.010 1.00 0.00 H new ATOM 15 N ARG A 8 0.660 -1.184 -11.599 1.00 0.00 N ATOM 16 CA ARG A 8 -0.107 0.009 -11.938 1.00 0.00 C ATOM 17 C ARG A 8 -1.442 0.140 -11.143 1.00 0.00 C ATOM 18 O ARG A 8 -1.765 1.242 -10.722 1.00 0.00 O ATOM 19 CB ARG A 8 -0.335 0.159 -13.473 1.00 0.00 C ATOM 20 CG ARG A 8 -0.901 -1.077 -14.165 1.00 0.00 C ATOM 21 CD ARG A 8 -1.184 -0.835 -15.635 1.00 0.00 C ATOM 22 NE ARG A 8 -2.223 0.179 -15.832 1.00 0.00 N ATOM 23 CZ ARG A 8 -3.144 0.174 -16.800 1.00 0.00 C ATOM 24 NH1 ARG A 8 -3.250 -0.860 -17.635 1.00 0.00 N ATOM 25 NH2 ARG A 8 -3.984 1.199 -16.893 1.00 0.00 N ATOM 0 H ARG A 8 0.126 -1.868 -11.063 1.00 0.00 H new ATOM 0 HA ARG A 8 0.517 0.844 -11.621 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.013 0.995 -13.644 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.614 0.417 -13.943 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.196 -1.902 -14.064 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.821 -1.381 -13.665 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.268 -0.518 -16.134 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.495 -1.769 -16.103 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.245 0.957 -15.173 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.624 -1.659 -17.539 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.957 -0.852 -18.370 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.919 1.973 -16.232 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.693 1.212 -17.626 1.00 0.00 H new ATOM 39 N PRO A 9 -2.236 -0.960 -10.907 1.00 0.00 N ATOM 40 CA PRO A 9 -3.500 -0.860 -10.208 1.00 0.00 C ATOM 41 C PRO A 9 -3.360 -1.222 -8.716 1.00 0.00 C ATOM 42 O PRO A 9 -2.400 -0.811 -8.063 1.00 0.00 O ATOM 43 CB PRO A 9 -4.352 -1.901 -10.953 1.00 0.00 C ATOM 44 CG PRO A 9 -3.387 -2.836 -11.612 1.00 0.00 C ATOM 45 CD PRO A 9 -2.012 -2.357 -11.271 1.00 0.00 C ATOM 0 HA PRO A 9 -3.920 0.146 -10.209 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.003 -2.437 -10.263 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.995 -1.422 -11.691 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.538 -3.857 -11.261 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.535 -2.845 -12.692 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.579 -2.925 -10.448 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.330 -2.450 -12.116 1.00 0.00 H new ATOM 53 N GLY A 10 -4.328 -1.968 -8.188 1.00 0.00 N ATOM 54 CA GLY A 10 -4.328 -2.323 -6.791 1.00 0.00 C ATOM 55 C GLY A 10 -3.298 -3.384 -6.410 1.00 0.00 C ATOM 56 O GLY A 10 -2.530 -3.857 -7.257 1.00 0.00 O ATOM 0 H GLY A 10 -5.120 -2.334 -8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.143 -1.426 -6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.320 -2.684 -6.520 1.00 0.00 H new ATOM 60 N ILE A 11 -3.328 -3.763 -5.115 1.00 0.00 N ATOM 61 CA ILE A 11 -2.390 -4.718 -4.488 1.00 0.00 C ATOM 62 C ILE A 11 -2.060 -5.927 -5.355 1.00 0.00 C ATOM 63 O ILE A 11 -2.888 -6.833 -5.567 1.00 0.00 O ATOM 64 CB ILE A 11 -2.872 -5.213 -3.082 1.00 0.00 C ATOM 65 CG1 ILE A 11 -3.067 -4.030 -2.121 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.875 -6.218 -2.483 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.596 -4.424 -0.750 1.00 0.00 C ATOM 0 H ILE A 11 -4.023 -3.404 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.477 -4.135 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.831 -5.713 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.114 -3.516 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.757 -3.318 -2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.232 -6.547 -1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.784 -7.079 -3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.901 -5.742 -2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.706 -3.533 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.565 -4.911 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.897 -5.112 -0.274 1.00 0.00 H new ATOM 79 N THR A 12 -0.878 -5.891 -5.869 1.00 0.00 N ATOM 80 CA THR A 12 -0.288 -6.962 -6.571 1.00 0.00 C ATOM 81 C THR A 12 0.798 -7.497 -5.638 1.00 0.00 C ATOM 82 O THR A 12 1.600 -6.709 -5.130 1.00 0.00 O ATOM 83 CB THR A 12 0.319 -6.432 -7.883 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.715 -5.746 -8.636 1.00 0.00 O ATOM 85 CG2 THR A 12 0.894 -7.565 -8.721 1.00 0.00 C ATOM 0 H THR A 12 -0.274 -5.072 -5.804 1.00 0.00 H new ATOM 0 HA THR A 12 -1.000 -7.744 -6.837 1.00 0.00 H new ATOM 0 HB THR A 12 1.131 -5.746 -7.641 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.119 -5.050 -8.077 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.315 -7.160 -9.641 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.676 -8.074 -8.157 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.103 -8.274 -8.966 1.00 0.00 H new ATOM 93 N PHE A 13 0.804 -8.791 -5.374 1.00 0.00 N ATOM 94 CA PHE A 13 1.711 -9.367 -4.382 1.00 0.00 C ATOM 95 C PHE A 13 3.125 -9.520 -4.914 1.00 0.00 C ATOM 96 O PHE A 13 3.590 -10.626 -5.158 1.00 0.00 O ATOM 97 CB PHE A 13 1.197 -10.711 -3.850 1.00 0.00 C ATOM 98 CG PHE A 13 -0.155 -10.648 -3.212 1.00 0.00 C ATOM 99 CD1 PHE A 13 -0.297 -10.212 -1.909 1.00 0.00 C ATOM 100 CD2 PHE A 13 -1.285 -11.036 -3.912 1.00 0.00 C ATOM 101 CE1 PHE A 13 -1.540 -10.163 -1.317 1.00 0.00 C ATOM 102 CE2 PHE A 13 -2.528 -10.988 -3.326 1.00 0.00 C ATOM 103 CZ PHE A 13 -2.655 -10.551 -2.025 1.00 0.00 C ATOM 0 H PHE A 13 0.193 -9.468 -5.830 1.00 0.00 H new ATOM 0 HA PHE A 13 1.740 -8.659 -3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.164 -11.425 -4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.911 -11.097 -3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.575 -9.907 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.189 -11.381 -4.931 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.640 -9.820 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.402 -11.292 -3.883 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.629 -10.513 -1.561 1.00 0.00 H new ATOM 113 N GLU A 14 3.768 -8.409 -5.137 1.00 0.00 N ATOM 114 CA GLU A 14 5.127 -8.355 -5.600 1.00 0.00 C ATOM 115 C GLU A 14 5.816 -7.194 -4.911 1.00 0.00 C ATOM 116 O GLU A 14 5.271 -6.085 -4.861 1.00 0.00 O ATOM 117 CB GLU A 14 5.191 -8.117 -7.121 1.00 0.00 C ATOM 118 CG GLU A 14 4.598 -9.209 -8.008 1.00 0.00 C ATOM 119 CD GLU A 14 5.358 -10.512 -7.943 1.00 0.00 C ATOM 120 OE1 GLU A 14 6.565 -10.531 -8.302 1.00 0.00 O ATOM 121 OE2 GLU A 14 4.776 -11.551 -7.554 1.00 0.00 O ATOM 0 H GLU A 14 3.350 -7.489 -4.998 1.00 0.00 H new ATOM 0 HA GLU A 14 5.611 -9.305 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.677 -7.182 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.235 -7.980 -7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.564 -9.385 -7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.580 -8.859 -9.040 1.00 0.00 H new ATOM 128 N ILE A 15 6.962 -7.439 -4.352 1.00 0.00 N ATOM 129 CA ILE A 15 7.754 -6.384 -3.769 1.00 0.00 C ATOM 130 C ILE A 15 8.279 -5.499 -4.893 1.00 0.00 C ATOM 131 O ILE A 15 9.094 -5.928 -5.710 1.00 0.00 O ATOM 132 CB ILE A 15 8.919 -6.951 -2.913 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.363 -7.632 -1.647 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.935 -5.864 -2.560 1.00 0.00 C ATOM 135 CD1 ILE A 15 9.417 -8.249 -0.744 1.00 0.00 C ATOM 0 H ILE A 15 7.378 -8.368 -4.284 1.00 0.00 H new ATOM 0 HA ILE A 15 7.131 -5.795 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 15 9.446 -7.700 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.798 -6.897 -1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.661 -8.410 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.736 -6.296 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.352 -5.445 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.442 -5.075 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.934 -8.705 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.968 -9.011 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.107 -7.475 -0.408 1.00 0.00 H new ATOM 147 N GLY A 16 7.782 -4.294 -4.941 1.00 0.00 N ATOM 148 CA GLY A 16 8.122 -3.386 -5.994 1.00 0.00 C ATOM 149 C GLY A 16 6.906 -3.050 -6.821 1.00 0.00 C ATOM 150 O GLY A 16 6.907 -2.084 -7.588 1.00 0.00 O ATOM 0 H GLY A 16 7.132 -3.917 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.545 -2.474 -5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.889 -3.829 -6.629 1.00 0.00 H new ATOM 154 N ALA A 17 5.856 -3.829 -6.652 1.00 0.00 N ATOM 155 CA ALA A 17 4.640 -3.617 -7.398 1.00 0.00 C ATOM 156 C ALA A 17 3.843 -2.468 -6.824 1.00 0.00 C ATOM 157 O ALA A 17 4.033 -2.073 -5.662 1.00 0.00 O ATOM 158 CB ALA A 17 3.793 -4.874 -7.447 1.00 0.00 C ATOM 0 H ALA A 17 5.824 -4.615 -6.003 1.00 0.00 H new ATOM 0 HA ALA A 17 4.926 -3.362 -8.418 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.885 -4.679 -8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.357 -5.674 -7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.528 -5.174 -6.433 1.00 0.00 H new ATOM 164 N ARG A 18 2.967 -1.946 -7.634 1.00 0.00 N ATOM 165 CA ARG A 18 2.139 -0.847 -7.279 1.00 0.00 C ATOM 166 C ARG A 18 0.795 -1.350 -6.810 1.00 0.00 C ATOM 167 O ARG A 18 0.264 -2.317 -7.355 1.00 0.00 O ATOM 168 CB ARG A 18 2.007 0.125 -8.469 1.00 0.00 C ATOM 169 CG ARG A 18 3.316 0.846 -8.786 1.00 0.00 C ATOM 170 CD ARG A 18 3.307 1.569 -10.134 1.00 0.00 C ATOM 171 NE ARG A 18 2.263 2.599 -10.276 1.00 0.00 N ATOM 172 CZ ARG A 18 2.505 3.899 -10.557 1.00 0.00 C ATOM 173 NH1 ARG A 18 3.742 4.381 -10.514 1.00 0.00 N ATOM 174 NH2 ARG A 18 1.515 4.693 -10.904 1.00 0.00 N ATOM 0 H ARG A 18 2.811 -2.287 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 18 2.594 -0.296 -6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.678 -0.427 -9.349 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.235 0.862 -8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.523 1.569 -7.997 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.131 0.122 -8.777 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.280 2.035 -10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.179 0.831 -10.926 1.00 0.00 H new ATOM 0 HE ARG A 18 1.292 2.312 -10.154 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.520 3.769 -10.267 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.914 5.363 -10.728 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.564 4.328 -10.961 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.698 5.674 -11.116 1.00 0.00 H new ATOM 188 N LEU A 19 0.315 -0.744 -5.768 1.00 0.00 N ATOM 189 CA LEU A 19 -0.980 -1.056 -5.175 1.00 0.00 C ATOM 190 C LEU A 19 -1.757 0.219 -5.029 1.00 0.00 C ATOM 191 O LEU A 19 -1.191 1.283 -5.241 1.00 0.00 O ATOM 192 CB LEU A 19 -0.835 -1.793 -3.791 1.00 0.00 C ATOM 193 CG LEU A 19 -0.006 -1.155 -2.612 1.00 0.00 C ATOM 194 CD1 LEU A 19 1.433 -1.008 -2.946 1.00 0.00 C ATOM 195 CD2 LEU A 19 -0.546 0.172 -2.141 1.00 0.00 C ATOM 0 H LEU A 19 0.814 0.002 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.513 -1.743 -5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.843 -1.966 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.399 -2.771 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.112 -1.867 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.959 -0.564 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.858 -1.988 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.540 -0.364 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.075 0.550 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.535 0.883 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.569 0.043 -1.786 1.00 0.00 H new ATOM 207 N GLU A 20 -3.009 0.171 -4.625 1.00 0.00 N ATOM 208 CA GLU A 20 -3.689 1.409 -4.421 1.00 0.00 C ATOM 209 C GLU A 20 -3.797 1.646 -2.952 1.00 0.00 C ATOM 210 O GLU A 20 -4.258 0.799 -2.237 1.00 0.00 O ATOM 211 CB GLU A 20 -5.042 1.424 -5.117 1.00 0.00 C ATOM 212 CG GLU A 20 -4.935 1.423 -6.637 1.00 0.00 C ATOM 213 CD GLU A 20 -6.271 1.414 -7.330 1.00 0.00 C ATOM 214 OE1 GLU A 20 -6.982 2.438 -7.290 1.00 0.00 O ATOM 215 OE2 GLU A 20 -6.636 0.394 -7.951 1.00 0.00 O ATOM 0 H GLU A 20 -3.547 -0.676 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.123 2.225 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.617 0.554 -4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.597 2.306 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.375 2.302 -6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.364 0.550 -6.953 1.00 0.00 H new ATOM 222 N ALA A 21 -3.282 2.731 -2.494 1.00 0.00 N ATOM 223 CA ALA A 21 -3.350 3.048 -1.091 1.00 0.00 C ATOM 224 C ALA A 21 -3.939 4.406 -0.942 1.00 0.00 C ATOM 225 O ALA A 21 -4.031 5.119 -1.913 1.00 0.00 O ATOM 226 CB ALA A 21 -1.972 2.995 -0.464 1.00 0.00 C ATOM 0 H ALA A 21 -2.803 3.426 -3.066 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.974 2.316 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.045 3.238 0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.558 1.993 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.320 3.716 -0.957 1.00 0.00 H new ATOM 232 N LEU A 22 -4.349 4.741 0.240 1.00 0.00 N ATOM 233 CA LEU A 22 -4.904 6.033 0.540 1.00 0.00 C ATOM 234 C LEU A 22 -3.878 6.702 1.379 1.00 0.00 C ATOM 235 O LEU A 22 -3.513 6.193 2.418 1.00 0.00 O ATOM 236 CB LEU A 22 -6.254 5.857 1.316 1.00 0.00 C ATOM 237 CG LEU A 22 -7.214 7.075 1.512 1.00 0.00 C ATOM 238 CD1 LEU A 22 -8.464 6.631 2.238 1.00 0.00 C ATOM 239 CD2 LEU A 22 -6.593 8.183 2.304 1.00 0.00 C ATOM 0 H LEU A 22 -4.309 4.115 1.044 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.130 6.619 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.821 5.078 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.009 5.476 2.307 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.442 7.450 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.129 7.484 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.971 5.863 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.194 6.225 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.306 9.001 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.318 7.814 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.701 8.542 1.790 1.00 0.00 H new ATOM 251 N ASP A 23 -3.334 7.759 0.914 1.00 0.00 N ATOM 252 CA ASP A 23 -2.440 8.492 1.756 1.00 0.00 C ATOM 253 C ASP A 23 -3.167 9.645 2.294 1.00 0.00 C ATOM 254 O ASP A 23 -4.259 9.966 1.784 1.00 0.00 O ATOM 255 CB ASP A 23 -1.162 8.963 1.063 1.00 0.00 C ATOM 256 CG ASP A 23 -1.320 10.140 0.102 1.00 0.00 C ATOM 257 OD1 ASP A 23 -2.403 10.342 -0.466 1.00 0.00 O ATOM 258 OD2 ASP A 23 -0.307 10.858 -0.135 1.00 0.00 O ATOM 0 H ASP A 23 -3.479 8.139 -0.021 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.108 7.814 2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.437 9.239 1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.740 8.123 0.512 1.00 0.00 H new ATOM 263 N TYR A 24 -2.533 10.293 3.275 1.00 0.00 N ATOM 264 CA TYR A 24 -3.004 11.467 4.030 1.00 0.00 C ATOM 265 C TYR A 24 -3.582 12.563 3.138 1.00 0.00 C ATOM 266 O TYR A 24 -4.414 13.368 3.567 1.00 0.00 O ATOM 267 CB TYR A 24 -1.812 12.011 4.823 1.00 0.00 C ATOM 268 CG TYR A 24 -2.044 13.333 5.512 1.00 0.00 C ATOM 269 CD1 TYR A 24 -2.685 13.400 6.733 1.00 0.00 C ATOM 270 CD2 TYR A 24 -1.629 14.516 4.921 1.00 0.00 C ATOM 271 CE1 TYR A 24 -2.906 14.605 7.349 1.00 0.00 C ATOM 272 CE2 TYR A 24 -1.846 15.724 5.522 1.00 0.00 C ATOM 273 CZ TYR A 24 -2.490 15.766 6.744 1.00 0.00 C ATOM 274 OH TYR A 24 -2.714 16.970 7.366 1.00 0.00 O ATOM 0 H TYR A 24 -1.610 9.993 3.588 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.818 11.155 4.685 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.530 11.273 5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.964 12.117 4.146 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.017 12.490 7.210 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.124 14.482 3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.405 14.641 8.306 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.518 16.637 5.047 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.360 17.696 6.811 1.00 0.00 H new ATOM 284 N LEU A 25 -3.162 12.573 1.916 1.00 0.00 N ATOM 285 CA LEU A 25 -3.602 13.525 0.941 1.00 0.00 C ATOM 286 C LEU A 25 -4.984 13.135 0.406 1.00 0.00 C ATOM 287 O LEU A 25 -5.550 13.806 -0.464 1.00 0.00 O ATOM 288 CB LEU A 25 -2.527 13.645 -0.164 1.00 0.00 C ATOM 289 CG LEU A 25 -1.283 14.501 0.197 1.00 0.00 C ATOM 290 CD1 LEU A 25 -1.695 15.900 0.612 1.00 0.00 C ATOM 291 CD2 LEU A 25 -0.432 13.854 1.291 1.00 0.00 C ATOM 0 H LEU A 25 -2.484 11.902 1.555 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.720 14.511 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.191 12.642 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.992 14.070 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.669 14.562 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.808 16.482 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.227 16.381 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.348 15.844 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.426 14.490 1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.031 13.732 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.084 12.878 0.952 1.00 0.00 H new ATOM 303 N GLN A 26 -5.495 12.023 0.949 1.00 0.00 N ATOM 304 CA GLN A 26 -6.795 11.474 0.703 1.00 0.00 C ATOM 305 C GLN A 26 -6.848 10.904 -0.618 1.00 0.00 C ATOM 306 O GLN A 26 -7.868 10.962 -1.328 1.00 0.00 O ATOM 307 CB GLN A 26 -7.910 12.441 0.983 1.00 0.00 C ATOM 308 CG GLN A 26 -8.535 12.210 2.349 1.00 0.00 C ATOM 309 CD GLN A 26 -7.564 12.446 3.499 1.00 0.00 C ATOM 310 OE1 GLN A 26 -6.794 11.433 3.860 1.00 0.00 O flip ATOM 311 NE2 GLN A 26 -7.475 13.550 4.040 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.961 11.461 1.612 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.959 10.668 1.418 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.528 13.460 0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.676 12.344 0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.394 12.871 2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.910 11.188 2.402 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.081 14.314 3.742 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.795 13.699 4.786 1.00 0.00 H new ATOM 320 N LYS A 27 -5.776 10.273 -0.950 1.00 0.00 N ATOM 321 CA LYS A 27 -5.671 9.786 -2.279 1.00 0.00 C ATOM 322 C LYS A 27 -5.520 8.333 -2.338 1.00 0.00 C ATOM 323 O LYS A 27 -4.632 7.794 -1.717 1.00 0.00 O ATOM 324 CB LYS A 27 -4.523 10.437 -3.007 1.00 0.00 C ATOM 325 CG LYS A 27 -4.662 11.929 -3.144 1.00 0.00 C ATOM 326 CD LYS A 27 -5.812 12.274 -4.065 1.00 0.00 C ATOM 327 CE LYS A 27 -5.956 13.774 -4.275 1.00 0.00 C ATOM 328 NZ LYS A 27 -6.283 14.505 -3.027 1.00 0.00 N ATOM 0 H LYS A 27 -4.981 10.086 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.609 10.046 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.596 10.214 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.437 9.996 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.827 12.376 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.736 12.352 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.661 11.788 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.738 11.877 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.027 14.168 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.737 13.959 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.714 15.374 -2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.293 14.752 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.071 13.903 -2.206 1.00 0.00 H new ATOM 342 N TRP A 28 -6.411 7.711 -3.078 1.00 0.00 N ATOM 343 CA TRP A 28 -6.300 6.330 -3.426 1.00 0.00 C ATOM 344 C TRP A 28 -5.464 6.296 -4.648 1.00 0.00 C ATOM 345 O TRP A 28 -5.947 6.451 -5.777 1.00 0.00 O ATOM 346 CB TRP A 28 -7.648 5.695 -3.688 1.00 0.00 C ATOM 347 CG TRP A 28 -8.466 5.529 -2.468 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.468 6.329 -2.039 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.324 4.493 -1.507 1.00 0.00 C ATOM 350 NE1 TRP A 28 -9.997 5.821 -0.871 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.297 4.691 -0.525 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.468 3.410 -1.395 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.438 3.829 0.572 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.596 2.567 -0.317 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.570 2.772 0.654 1.00 0.00 C ATOM 0 H TRP A 28 -7.242 8.166 -3.456 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.861 5.761 -2.606 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.197 6.307 -4.404 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.498 4.720 -4.151 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.803 7.228 -2.535 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.779 6.219 -0.350 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.711 3.230 -2.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.199 3.991 1.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.925 1.726 -0.222 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.643 2.087 1.486 1.00 0.00 H new ATOM 366 N TYR A 29 -4.224 6.182 -4.431 1.00 0.00 N ATOM 367 CA TYR A 29 -3.273 6.363 -5.445 1.00 0.00 C ATOM 368 C TYR A 29 -2.315 5.176 -5.491 1.00 0.00 C ATOM 369 O TYR A 29 -2.099 4.499 -4.465 1.00 0.00 O ATOM 370 CB TYR A 29 -2.556 7.724 -5.189 1.00 0.00 C ATOM 371 CG TYR A 29 -1.606 7.811 -3.969 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.751 7.002 -2.818 1.00 0.00 C ATOM 373 CD2 TYR A 29 -0.549 8.696 -4.001 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.873 7.093 -1.762 1.00 0.00 C ATOM 375 CE2 TYR A 29 0.338 8.790 -2.966 1.00 0.00 C ATOM 376 CZ TYR A 29 0.188 8.005 -1.853 1.00 0.00 C ATOM 377 OH TYR A 29 1.117 8.123 -0.835 1.00 0.00 O ATOM 0 H TYR A 29 -3.826 5.954 -3.520 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.742 6.402 -6.428 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.982 7.975 -6.081 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.321 8.492 -5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.568 6.298 -2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.419 9.330 -4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.998 6.477 -0.884 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.161 9.486 -3.025 1.00 0.00 H new ATOM 0 HH TYR A 29 1.341 9.068 -0.704 1.00 0.00 H new ATOM 387 N PRO A 30 -1.795 4.845 -6.673 1.00 0.00 N ATOM 388 CA PRO A 30 -0.828 3.774 -6.821 1.00 0.00 C ATOM 389 C PRO A 30 0.440 4.051 -6.022 1.00 0.00 C ATOM 390 O PRO A 30 1.184 5.006 -6.297 1.00 0.00 O ATOM 391 CB PRO A 30 -0.532 3.736 -8.319 1.00 0.00 C ATOM 392 CG PRO A 30 -1.706 4.397 -8.946 1.00 0.00 C ATOM 393 CD PRO A 30 -2.144 5.448 -7.972 1.00 0.00 C ATOM 0 HA PRO A 30 -1.209 2.824 -6.445 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.393 4.263 -8.555 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.416 2.712 -8.675 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.441 4.839 -9.906 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.505 3.680 -9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.625 6.393 -8.133 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.212 5.654 -8.050 1.00 0.00 H new ATOM 401 N SER A 31 0.629 3.261 -5.017 1.00 0.00 N ATOM 402 CA SER A 31 1.771 3.320 -4.150 1.00 0.00 C ATOM 403 C SER A 31 2.586 2.060 -4.418 1.00 0.00 C ATOM 404 O SER A 31 2.200 1.287 -5.283 1.00 0.00 O ATOM 405 CB SER A 31 1.270 3.362 -2.721 1.00 0.00 C ATOM 406 OG SER A 31 0.319 4.390 -2.582 1.00 0.00 O ATOM 0 H SER A 31 -0.031 2.526 -4.763 1.00 0.00 H new ATOM 0 HA SER A 31 2.391 4.200 -4.321 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.826 2.404 -2.453 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.103 3.529 -2.038 1.00 0.00 H new ATOM 0 HG SER A 31 0.748 5.183 -2.199 1.00 0.00 H new ATOM 412 N ARG A 32 3.671 1.818 -3.718 1.00 0.00 N ATOM 413 CA ARG A 32 4.455 0.619 -4.024 1.00 0.00 C ATOM 414 C ARG A 32 4.667 -0.233 -2.781 1.00 0.00 C ATOM 415 O ARG A 32 4.648 0.271 -1.671 1.00 0.00 O ATOM 416 CB ARG A 32 5.804 0.984 -4.647 1.00 0.00 C ATOM 417 CG ARG A 32 5.697 1.790 -5.930 1.00 0.00 C ATOM 418 CD ARG A 32 7.062 2.175 -6.464 1.00 0.00 C ATOM 419 NE ARG A 32 7.844 1.022 -6.921 1.00 0.00 N ATOM 420 CZ ARG A 32 9.040 0.665 -6.433 1.00 0.00 C ATOM 421 NH1 ARG A 32 9.521 1.257 -5.342 1.00 0.00 N ATOM 422 NH2 ARG A 32 9.745 -0.290 -7.034 1.00 0.00 N ATOM 0 H ARG A 32 4.029 2.401 -2.962 1.00 0.00 H new ATOM 0 HA ARG A 32 3.886 0.037 -4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.385 1.552 -3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.358 0.068 -4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.163 1.209 -6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.110 2.690 -5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.939 2.874 -7.291 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.617 2.698 -5.685 1.00 0.00 H new ATOM 0 HE ARG A 32 7.448 0.449 -7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.979 1.984 -4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.432 0.983 -4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.375 -0.750 -7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.655 -0.562 -6.663 1.00 0.00 H new ATOM 436 N ILE A 33 4.808 -1.526 -2.967 1.00 0.00 N ATOM 437 CA ILE A 33 5.084 -2.424 -1.858 1.00 0.00 C ATOM 438 C ILE A 33 6.591 -2.529 -1.674 1.00 0.00 C ATOM 439 O ILE A 33 7.329 -2.703 -2.651 1.00 0.00 O ATOM 440 CB ILE A 33 4.517 -3.855 -2.087 1.00 0.00 C ATOM 441 CG1 ILE A 33 3.000 -3.824 -2.257 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.881 -4.737 -0.914 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.359 -5.181 -2.469 1.00 0.00 C ATOM 0 H ILE A 33 4.737 -1.984 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 33 4.597 -2.010 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 33 4.955 -4.257 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.558 -3.363 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.756 -3.185 -3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.484 -5.739 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.966 -4.788 -0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.456 -4.321 -0.000 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.281 -5.061 -2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.767 -5.640 -3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.567 -5.820 -1.610 1.00 0.00 H new ATOM 455 N GLU A 34 7.054 -2.401 -0.458 1.00 0.00 N ATOM 456 CA GLU A 34 8.465 -2.509 -0.201 1.00 0.00 C ATOM 457 C GLU A 34 8.785 -3.877 0.442 1.00 0.00 C ATOM 458 O GLU A 34 9.819 -4.466 0.176 1.00 0.00 O ATOM 459 CB GLU A 34 8.919 -1.355 0.681 1.00 0.00 C ATOM 460 CG GLU A 34 10.403 -1.128 0.703 1.00 0.00 C ATOM 461 CD GLU A 34 10.927 -0.817 -0.660 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.740 0.327 -1.128 1.00 0.00 O ATOM 463 OE2 GLU A 34 11.539 -1.693 -1.301 1.00 0.00 O ATOM 0 H GLU A 34 6.478 -2.223 0.365 1.00 0.00 H new ATOM 0 HA GLU A 34 9.013 -2.449 -1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.431 -0.442 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.578 -1.538 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.637 -0.307 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.902 -2.015 1.093 1.00 0.00 H new ATOM 470 N LYS A 35 7.878 -4.372 1.282 1.00 0.00 N ATOM 471 CA LYS A 35 7.999 -5.696 1.929 1.00 0.00 C ATOM 472 C LYS A 35 6.592 -6.227 2.126 1.00 0.00 C ATOM 473 O LYS A 35 5.663 -5.429 2.244 1.00 0.00 O ATOM 474 CB LYS A 35 8.692 -5.602 3.315 1.00 0.00 C ATOM 475 CG LYS A 35 10.150 -5.130 3.313 1.00 0.00 C ATOM 476 CD LYS A 35 11.098 -6.105 2.602 1.00 0.00 C ATOM 477 CE LYS A 35 11.150 -7.473 3.280 1.00 0.00 C ATOM 478 NZ LYS A 35 11.547 -7.385 4.704 1.00 0.00 N ATOM 0 H LYS A 35 7.029 -3.869 1.541 1.00 0.00 H new ATOM 0 HA LYS A 35 8.605 -6.348 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.113 -4.924 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.651 -6.584 3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.209 -4.156 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.483 -4.994 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.778 -6.228 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.100 -5.678 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.172 -7.948 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.855 -8.112 2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.732 -8.340 5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.408 -6.808 4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.780 -6.945 5.252 1.00 0.00 H new ATOM 492 N ILE A 36 6.403 -7.534 2.153 1.00 0.00 N ATOM 493 CA ILE A 36 5.053 -8.081 2.318 1.00 0.00 C ATOM 494 C ILE A 36 5.049 -9.133 3.413 1.00 0.00 C ATOM 495 O ILE A 36 5.945 -9.969 3.472 1.00 0.00 O ATOM 496 CB ILE A 36 4.501 -8.768 1.029 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.832 -7.960 -0.222 1.00 0.00 C ATOM 498 CG2 ILE A 36 2.982 -8.917 1.152 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.315 -8.554 -1.514 1.00 0.00 C ATOM 0 H ILE A 36 7.144 -8.230 2.066 1.00 0.00 H new ATOM 0 HA ILE A 36 4.419 -7.228 2.561 1.00 0.00 H new ATOM 0 HB ILE A 36 4.973 -9.746 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.421 -6.957 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.915 -7.855 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.590 -9.396 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.746 -9.528 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.528 -7.933 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.598 -7.912 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.745 -9.545 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.229 -8.633 -1.469 1.00 0.00 H new ATOM 511 N ASP A 37 4.066 -9.083 4.263 1.00 0.00 N ATOM 512 CA ASP A 37 3.881 -10.076 5.289 1.00 0.00 C ATOM 513 C ASP A 37 2.522 -10.694 5.065 1.00 0.00 C ATOM 514 O ASP A 37 1.533 -10.013 5.118 1.00 0.00 O ATOM 515 CB ASP A 37 3.940 -9.454 6.690 1.00 0.00 C ATOM 516 CG ASP A 37 3.928 -10.499 7.743 1.00 0.00 C ATOM 517 OD1 ASP A 37 2.849 -10.896 8.153 1.00 0.00 O ATOM 518 OD2 ASP A 37 5.012 -10.910 8.203 1.00 0.00 O ATOM 0 H ASP A 37 3.361 -8.346 4.267 1.00 0.00 H new ATOM 0 HA ASP A 37 4.676 -10.820 5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.842 -8.849 6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.091 -8.784 6.829 1.00 0.00 H new ATOM 523 N TYR A 38 2.462 -11.953 4.814 1.00 0.00 N ATOM 524 CA TYR A 38 1.193 -12.578 4.491 1.00 0.00 C ATOM 525 C TYR A 38 0.690 -13.337 5.708 1.00 0.00 C ATOM 526 O TYR A 38 -0.499 -13.661 5.823 1.00 0.00 O ATOM 527 CB TYR A 38 1.333 -13.564 3.320 1.00 0.00 C ATOM 528 CG TYR A 38 2.201 -13.120 2.153 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.572 -13.349 2.161 1.00 0.00 C ATOM 530 CD2 TYR A 38 1.649 -12.513 1.034 1.00 0.00 C ATOM 531 CE1 TYR A 38 4.368 -12.988 1.098 1.00 0.00 C ATOM 532 CE2 TYR A 38 2.444 -12.143 -0.040 1.00 0.00 C ATOM 533 CZ TYR A 38 3.804 -12.387 0.000 1.00 0.00 C ATOM 534 OH TYR A 38 4.602 -12.026 -1.065 1.00 0.00 O ATOM 0 H TYR A 38 3.264 -12.584 4.821 1.00 0.00 H new ATOM 0 HA TYR A 38 0.492 -11.794 4.202 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.738 -14.499 3.709 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.336 -13.783 2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.023 -13.821 3.021 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.586 -12.326 0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.431 -13.177 1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.003 -11.667 -0.903 1.00 0.00 H new ATOM 0 HH TYR A 38 4.050 -11.614 -1.762 1.00 0.00 H new ATOM 544 N GLU A 39 1.609 -13.610 6.617 1.00 0.00 N ATOM 545 CA GLU A 39 1.334 -14.374 7.827 1.00 0.00 C ATOM 546 C GLU A 39 0.441 -13.580 8.774 1.00 0.00 C ATOM 547 O GLU A 39 -0.545 -14.099 9.319 1.00 0.00 O ATOM 548 CB GLU A 39 2.646 -14.757 8.477 1.00 0.00 C ATOM 549 CG GLU A 39 3.512 -15.617 7.575 1.00 0.00 C ATOM 550 CD GLU A 39 4.872 -15.864 8.137 1.00 0.00 C ATOM 551 OE1 GLU A 39 5.047 -16.825 8.898 1.00 0.00 O ATOM 552 OE2 GLU A 39 5.800 -15.095 7.823 1.00 0.00 O ATOM 0 H GLU A 39 2.579 -13.305 6.537 1.00 0.00 H new ATOM 0 HA GLU A 39 0.793 -15.286 7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.192 -13.853 8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.445 -15.295 9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.015 -16.572 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.609 -15.132 6.603 1.00 0.00 H new ATOM 559 N GLU A 40 0.784 -12.340 8.977 1.00 0.00 N ATOM 560 CA GLU A 40 -0.050 -11.433 9.708 1.00 0.00 C ATOM 561 C GLU A 40 -0.990 -10.816 8.698 1.00 0.00 C ATOM 562 O GLU A 40 -2.170 -10.564 8.971 1.00 0.00 O ATOM 563 CB GLU A 40 0.797 -10.343 10.343 1.00 0.00 C ATOM 564 CG GLU A 40 0.033 -9.354 11.176 1.00 0.00 C ATOM 565 CD GLU A 40 -0.646 -9.992 12.372 1.00 0.00 C ATOM 566 OE1 GLU A 40 0.033 -10.290 13.374 1.00 0.00 O ATOM 567 OE2 GLU A 40 -1.877 -10.218 12.324 1.00 0.00 O ATOM 0 H GLU A 40 1.654 -11.929 8.638 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.591 -11.947 10.502 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.558 -10.811 10.968 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.321 -9.804 9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.713 -8.576 11.523 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.718 -8.867 10.555 1.00 0.00 H new ATOM 574 N GLY A 41 -0.460 -10.631 7.517 1.00 0.00 N ATOM 575 CA GLY A 41 -1.207 -10.068 6.450 1.00 0.00 C ATOM 576 C GLY A 41 -1.143 -8.576 6.487 1.00 0.00 C ATOM 577 O GLY A 41 -2.135 -7.904 6.757 1.00 0.00 O ATOM 0 H GLY A 41 0.503 -10.870 7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.819 -10.430 5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.245 -10.394 6.515 1.00 0.00 H new ATOM 581 N LYS A 42 0.039 -8.076 6.235 1.00 0.00 N ATOM 582 CA LYS A 42 0.345 -6.672 6.254 1.00 0.00 C ATOM 583 C LYS A 42 1.299 -6.440 5.122 1.00 0.00 C ATOM 584 O LYS A 42 2.049 -7.339 4.767 1.00 0.00 O ATOM 585 CB LYS A 42 1.156 -6.296 7.504 1.00 0.00 C ATOM 586 CG LYS A 42 0.684 -6.837 8.827 1.00 0.00 C ATOM 587 CD LYS A 42 1.546 -6.297 9.961 1.00 0.00 C ATOM 588 CE LYS A 42 3.006 -6.739 9.861 1.00 0.00 C ATOM 589 NZ LYS A 42 3.217 -8.183 10.128 1.00 0.00 N ATOM 0 H LYS A 42 0.843 -8.658 6.003 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.586 -6.107 6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.183 -6.629 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.180 -5.209 7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.357 -6.559 8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.726 -7.926 8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.500 -5.208 9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.135 -6.631 10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.378 -6.506 8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.600 -6.159 10.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.230 -8.364 10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.687 -8.460 10.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.882 -8.739 9.315 1.00 0.00 H new ATOM 603 N MET A 43 1.316 -5.304 4.568 1.00 0.00 N ATOM 604 CA MET A 43 2.358 -5.020 3.651 1.00 0.00 C ATOM 605 C MET A 43 3.033 -3.769 4.101 1.00 0.00 C ATOM 606 O MET A 43 2.410 -2.912 4.763 1.00 0.00 O ATOM 607 CB MET A 43 1.903 -4.920 2.165 1.00 0.00 C ATOM 608 CG MET A 43 1.265 -3.598 1.729 1.00 0.00 C ATOM 609 SD MET A 43 -0.268 -3.201 2.579 1.00 0.00 S ATOM 610 CE MET A 43 -1.278 -4.585 2.080 1.00 0.00 C ATOM 0 H MET A 43 0.638 -4.557 4.721 1.00 0.00 H new ATOM 0 HA MET A 43 3.048 -5.864 3.657 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.770 -5.105 1.530 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.190 -5.722 1.973 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.979 -2.791 1.896 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.073 -3.637 0.657 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.329 -4.298 2.109 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.011 -4.883 1.066 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.111 -5.421 2.760 1.00 0.00 H new ATOM 620 N LEU A 44 4.292 -3.686 3.832 1.00 0.00 N ATOM 621 CA LEU A 44 5.020 -2.507 4.098 1.00 0.00 C ATOM 622 C LEU A 44 4.793 -1.665 2.881 1.00 0.00 C ATOM 623 O LEU A 44 5.466 -1.838 1.838 1.00 0.00 O ATOM 624 CB LEU A 44 6.524 -2.826 4.320 1.00 0.00 C ATOM 625 CG LEU A 44 7.437 -1.724 4.933 1.00 0.00 C ATOM 626 CD1 LEU A 44 7.609 -0.529 4.034 1.00 0.00 C ATOM 627 CD2 LEU A 44 6.913 -1.277 6.267 1.00 0.00 C ATOM 0 H LEU A 44 4.841 -4.441 3.420 1.00 0.00 H new ATOM 0 HA LEU A 44 4.701 -1.999 5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.585 -3.703 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.948 -3.109 3.357 1.00 0.00 H new ATOM 0 HG LEU A 44 8.418 -2.183 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.256 0.202 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.060 -0.844 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.636 -0.078 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.567 -0.507 6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.908 -0.873 6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.883 -2.127 6.949 1.00 0.00 H new ATOM 639 N VAL A 45 3.776 -0.873 2.957 1.00 0.00 N ATOM 640 CA VAL A 45 3.391 -0.056 1.878 1.00 0.00 C ATOM 641 C VAL A 45 4.209 1.202 1.882 1.00 0.00 C ATOM 642 O VAL A 45 4.378 1.873 2.919 1.00 0.00 O ATOM 643 CB VAL A 45 1.850 0.199 1.829 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.320 0.687 3.154 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.477 1.166 0.713 1.00 0.00 C ATOM 0 H VAL A 45 3.188 -0.781 3.785 1.00 0.00 H new ATOM 0 HA VAL A 45 3.602 -0.586 0.949 1.00 0.00 H new ATOM 0 HB VAL A 45 1.380 -0.761 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.245 0.852 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.518 -0.060 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.813 1.622 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.398 1.319 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.978 2.120 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.788 0.752 -0.246 1.00 0.00 H new ATOM 655 N HIS A 46 4.782 1.453 0.756 1.00 0.00 N ATOM 656 CA HIS A 46 5.638 2.548 0.545 1.00 0.00 C ATOM 657 C HIS A 46 4.830 3.623 -0.171 1.00 0.00 C ATOM 658 O HIS A 46 4.505 3.491 -1.368 1.00 0.00 O ATOM 659 CB HIS A 46 6.840 2.062 -0.300 1.00 0.00 C ATOM 660 CG HIS A 46 8.007 2.983 -0.381 1.00 0.00 C ATOM 661 ND1 HIS A 46 9.305 2.527 -0.487 1.00 0.00 N ATOM 662 CD2 HIS A 46 8.088 4.326 -0.383 1.00 0.00 C ATOM 663 CE1 HIS A 46 10.114 3.537 -0.536 1.00 0.00 C ATOM 664 NE2 HIS A 46 9.410 4.650 -0.481 1.00 0.00 N ATOM 0 H HIS A 46 4.656 0.871 -0.072 1.00 0.00 H new ATOM 0 HA HIS A 46 6.027 2.964 1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.183 1.111 0.108 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.489 1.866 -1.313 1.00 0.00 H new ATOM 0 HD1 HIS A 46 9.584 1.547 -0.521 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.261 5.018 -0.319 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.190 3.477 -0.610 1.00 0.00 H new ATOM 673 N PHE A 47 4.470 4.630 0.581 1.00 0.00 N ATOM 674 CA PHE A 47 3.694 5.749 0.100 1.00 0.00 C ATOM 675 C PHE A 47 4.639 6.788 -0.449 1.00 0.00 C ATOM 676 O PHE A 47 5.867 6.686 -0.274 1.00 0.00 O ATOM 677 CB PHE A 47 2.887 6.402 1.239 1.00 0.00 C ATOM 678 CG PHE A 47 1.868 5.542 1.896 1.00 0.00 C ATOM 679 CD1 PHE A 47 2.197 4.764 2.985 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.566 5.538 1.440 1.00 0.00 C ATOM 681 CE1 PHE A 47 1.245 3.996 3.601 1.00 0.00 C ATOM 682 CE2 PHE A 47 -0.391 4.776 2.052 1.00 0.00 C ATOM 683 CZ PHE A 47 -0.054 4.002 3.131 1.00 0.00 C ATOM 0 H PHE A 47 4.713 4.699 1.569 1.00 0.00 H new ATOM 0 HA PHE A 47 3.005 5.385 -0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.586 6.748 2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.386 7.285 0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.212 4.760 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.299 6.145 0.588 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.509 3.387 4.453 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.407 4.784 1.686 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.805 3.395 3.615 1.00 0.00 H new ATOM 693 N GLU A 48 4.097 7.804 -1.051 1.00 0.00 N ATOM 694 CA GLU A 48 4.911 8.853 -1.593 1.00 0.00 C ATOM 695 C GLU A 48 5.175 9.911 -0.510 1.00 0.00 C ATOM 696 O GLU A 48 4.575 11.002 -0.518 1.00 0.00 O ATOM 697 CB GLU A 48 4.261 9.450 -2.840 1.00 0.00 C ATOM 698 CG GLU A 48 5.118 10.456 -3.579 1.00 0.00 C ATOM 699 CD GLU A 48 4.417 10.994 -4.775 1.00 0.00 C ATOM 700 OE1 GLU A 48 3.589 11.900 -4.628 1.00 0.00 O ATOM 701 OE2 GLU A 48 4.653 10.504 -5.898 1.00 0.00 O ATOM 0 H GLU A 48 3.093 7.930 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 48 5.873 8.446 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.005 8.640 -3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.327 9.931 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.378 11.276 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.052 9.985 -3.885 1.00 0.00 H new ATOM 708 N ARG A 49 5.994 9.494 0.475 1.00 0.00 N ATOM 709 CA ARG A 49 6.436 10.293 1.639 1.00 0.00 C ATOM 710 C ARG A 49 5.304 11.121 2.265 1.00 0.00 C ATOM 711 O ARG A 49 5.111 12.297 1.934 1.00 0.00 O ATOM 712 CB ARG A 49 7.685 11.142 1.303 1.00 0.00 C ATOM 713 CG ARG A 49 8.219 11.999 2.449 1.00 0.00 C ATOM 714 CD ARG A 49 9.501 12.721 2.049 1.00 0.00 C ATOM 715 NE ARG A 49 9.918 13.716 3.056 1.00 0.00 N ATOM 716 CZ ARG A 49 11.173 14.155 3.258 1.00 0.00 C ATOM 717 NH1 ARG A 49 12.186 13.673 2.543 1.00 0.00 N ATOM 718 NH2 ARG A 49 11.404 15.099 4.173 1.00 0.00 N ATOM 0 H ARG A 49 6.383 8.551 0.483 1.00 0.00 H new ATOM 0 HA ARG A 49 6.732 9.583 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.479 10.474 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.445 11.795 0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.464 12.729 2.743 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.409 11.370 3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.299 11.991 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.352 13.217 1.090 1.00 0.00 H new ATOM 0 HE ARG A 49 9.188 14.106 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.015 12.962 1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.133 14.014 2.706 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.630 15.484 4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.354 15.435 4.330 1.00 0.00 H new ATOM 732 N TRP A 50 4.546 10.512 3.143 1.00 0.00 N ATOM 733 CA TRP A 50 3.435 11.200 3.733 1.00 0.00 C ATOM 734 C TRP A 50 3.807 11.879 5.051 1.00 0.00 C ATOM 735 O TRP A 50 3.688 11.312 6.128 1.00 0.00 O ATOM 736 CB TRP A 50 2.131 10.344 3.801 1.00 0.00 C ATOM 737 CG TRP A 50 2.141 9.046 4.627 1.00 0.00 C ATOM 738 CD1 TRP A 50 3.196 8.403 5.237 1.00 0.00 C ATOM 739 CD2 TRP A 50 0.998 8.244 4.908 1.00 0.00 C ATOM 740 NE1 TRP A 50 2.750 7.291 5.894 1.00 0.00 N ATOM 741 CE2 TRP A 50 1.414 7.166 5.703 1.00 0.00 C ATOM 742 CE3 TRP A 50 -0.335 8.342 4.571 1.00 0.00 C ATOM 743 CZ2 TRP A 50 0.534 6.196 6.163 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -1.205 7.385 5.017 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.771 6.322 5.807 1.00 0.00 C ATOM 0 H TRP A 50 4.679 9.552 3.460 1.00 0.00 H new ATOM 0 HA TRP A 50 3.181 12.009 3.048 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.338 10.980 4.195 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.853 10.084 2.780 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.225 8.730 5.201 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.331 6.656 6.441 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.688 9.162 3.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.873 5.375 6.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.250 7.455 4.751 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.485 5.585 6.142 1.00 0.00 H new ATOM 756 N SER A 51 4.320 13.086 4.912 1.00 0.00 N ATOM 757 CA SER A 51 4.743 13.946 6.003 1.00 0.00 C ATOM 758 C SER A 51 6.014 13.431 6.712 1.00 0.00 C ATOM 759 O SER A 51 7.122 13.856 6.371 1.00 0.00 O ATOM 760 CB SER A 51 3.588 14.235 6.980 1.00 0.00 C ATOM 761 OG SER A 51 2.457 14.790 6.283 1.00 0.00 O ATOM 0 H SER A 51 4.460 13.514 3.997 1.00 0.00 H new ATOM 0 HA SER A 51 5.025 14.901 5.560 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.294 13.315 7.485 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.923 14.929 7.751 1.00 0.00 H new ATOM 0 HG SER A 51 1.734 14.965 6.920 1.00 0.00 H new ATOM 767 N HIS A 52 5.877 12.492 7.630 1.00 0.00 N ATOM 768 CA HIS A 52 7.023 12.022 8.401 1.00 0.00 C ATOM 769 C HIS A 52 7.609 10.775 7.775 1.00 0.00 C ATOM 770 O HIS A 52 8.811 10.696 7.493 1.00 0.00 O ATOM 771 CB HIS A 52 6.617 11.717 9.859 1.00 0.00 C ATOM 772 CG HIS A 52 7.778 11.363 10.754 1.00 0.00 C ATOM 773 ND1 HIS A 52 7.818 10.234 11.543 1.00 0.00 N ATOM 774 CD2 HIS A 52 8.944 12.007 10.975 1.00 0.00 C ATOM 775 CE1 HIS A 52 8.955 10.201 12.200 1.00 0.00 C ATOM 776 NE2 HIS A 52 9.651 11.263 11.872 1.00 0.00 N ATOM 0 H HIS A 52 4.993 12.040 7.862 1.00 0.00 H new ATOM 0 HA HIS A 52 7.772 12.814 8.398 1.00 0.00 H new ATOM 0 HB2 HIS A 52 6.104 12.585 10.272 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.903 10.893 9.863 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.258 12.937 10.525 1.00 0.00 H new ATOM 0 HE1 HIS A 52 9.264 9.431 12.892 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.577 11.496 12.232 1.00 0.00 H new ATOM 785 N ARG A 53 6.768 9.813 7.588 1.00 0.00 N ATOM 786 CA ARG A 53 7.142 8.531 7.070 1.00 0.00 C ATOM 787 C ARG A 53 6.882 8.465 5.589 1.00 0.00 C ATOM 788 O ARG A 53 6.186 9.300 5.030 1.00 0.00 O ATOM 789 CB ARG A 53 6.307 7.453 7.752 1.00 0.00 C ATOM 790 CG ARG A 53 6.520 7.327 9.242 1.00 0.00 C ATOM 791 CD ARG A 53 7.881 6.753 9.575 1.00 0.00 C ATOM 792 NE ARG A 53 8.028 5.365 9.100 1.00 0.00 N ATOM 793 CZ ARG A 53 8.316 4.325 9.893 1.00 0.00 C ATOM 794 NH1 ARG A 53 8.500 4.515 11.190 1.00 0.00 N ATOM 795 NH2 ARG A 53 8.431 3.111 9.384 1.00 0.00 N ATOM 0 H ARG A 53 5.773 9.895 7.796 1.00 0.00 H new ATOM 0 HA ARG A 53 8.204 8.375 7.259 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.253 7.660 7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.530 6.493 7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.417 8.307 9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.744 6.690 9.666 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.656 7.374 9.125 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.033 6.785 10.654 1.00 0.00 H new ATOM 0 HE ARG A 53 7.902 5.185 8.104 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.422 5.453 11.584 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.719 3.724 11.795 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.300 2.963 8.383 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.650 2.322 9.992 1.00 0.00 H new ATOM 809 N TYR A 54 7.457 7.496 4.963 1.00 0.00 N ATOM 810 CA TYR A 54 7.185 7.209 3.585 1.00 0.00 C ATOM 811 C TYR A 54 6.736 5.765 3.464 1.00 0.00 C ATOM 812 O TYR A 54 6.520 5.255 2.375 1.00 0.00 O ATOM 813 CB TYR A 54 8.412 7.499 2.682 1.00 0.00 C ATOM 814 CG TYR A 54 9.689 6.730 3.010 1.00 0.00 C ATOM 815 CD1 TYR A 54 9.839 5.403 2.639 1.00 0.00 C ATOM 816 CD2 TYR A 54 10.750 7.344 3.663 1.00 0.00 C ATOM 817 CE1 TYR A 54 10.988 4.707 2.911 1.00 0.00 C ATOM 818 CE2 TYR A 54 11.916 6.650 3.933 1.00 0.00 C ATOM 819 CZ TYR A 54 12.025 5.329 3.552 1.00 0.00 C ATOM 820 OH TYR A 54 13.189 4.620 3.805 1.00 0.00 O ATOM 0 H TYR A 54 8.138 6.870 5.393 1.00 0.00 H new ATOM 0 HA TYR A 54 6.388 7.866 3.237 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.137 7.281 1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.631 8.565 2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.031 4.905 2.123 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.664 8.378 3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.075 3.670 2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.735 7.139 4.439 1.00 0.00 H new ATOM 0 HH TYR A 54 13.832 5.199 4.265 1.00 0.00 H new ATOM 830 N ASP A 55 6.581 5.122 4.592 1.00 0.00 N ATOM 831 CA ASP A 55 6.223 3.724 4.627 1.00 0.00 C ATOM 832 C ASP A 55 5.415 3.454 5.856 1.00 0.00 C ATOM 833 O ASP A 55 5.477 4.241 6.825 1.00 0.00 O ATOM 834 CB ASP A 55 7.476 2.836 4.672 1.00 0.00 C ATOM 835 CG ASP A 55 8.217 2.885 6.008 1.00 0.00 C ATOM 836 OD1 ASP A 55 9.093 3.735 6.184 1.00 0.00 O ATOM 837 OD2 ASP A 55 7.935 2.066 6.906 1.00 0.00 O ATOM 0 H ASP A 55 6.698 5.549 5.511 1.00 0.00 H new ATOM 0 HA ASP A 55 5.653 3.495 3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.188 1.806 4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.157 3.143 3.878 1.00 0.00 H new ATOM 842 N GLU A 56 4.644 2.386 5.823 1.00 0.00 N ATOM 843 CA GLU A 56 3.892 1.935 6.979 1.00 0.00 C ATOM 844 C GLU A 56 3.370 0.510 6.760 1.00 0.00 C ATOM 845 O GLU A 56 3.207 0.081 5.620 1.00 0.00 O ATOM 846 CB GLU A 56 2.755 2.932 7.321 1.00 0.00 C ATOM 847 CG GLU A 56 1.914 2.529 8.514 1.00 0.00 C ATOM 848 CD GLU A 56 0.987 3.600 8.990 1.00 0.00 C ATOM 849 OE1 GLU A 56 1.473 4.610 9.576 1.00 0.00 O ATOM 850 OE2 GLU A 56 -0.242 3.434 8.871 1.00 0.00 O ATOM 0 H GLU A 56 4.520 1.805 4.994 1.00 0.00 H new ATOM 0 HA GLU A 56 4.558 1.906 7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.192 3.912 7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.106 3.037 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.330 1.646 8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.575 2.244 9.332 1.00 0.00 H new ATOM 857 N TRP A 57 3.180 -0.238 7.844 1.00 0.00 N ATOM 858 CA TRP A 57 2.607 -1.568 7.755 1.00 0.00 C ATOM 859 C TRP A 57 1.106 -1.460 7.814 1.00 0.00 C ATOM 860 O TRP A 57 0.543 -1.039 8.841 1.00 0.00 O ATOM 861 CB TRP A 57 3.066 -2.490 8.898 1.00 0.00 C ATOM 862 CG TRP A 57 4.505 -2.889 8.877 1.00 0.00 C ATOM 863 CD1 TRP A 57 5.517 -2.323 9.582 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.086 -3.968 8.133 1.00 0.00 C ATOM 865 NE1 TRP A 57 6.693 -2.975 9.326 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.457 -3.990 8.438 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.580 -4.916 7.236 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.329 -4.920 7.882 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.446 -5.838 6.685 1.00 0.00 C ATOM 870 CH2 TRP A 57 6.805 -5.835 7.010 1.00 0.00 C ATOM 0 H TRP A 57 3.416 0.059 8.791 1.00 0.00 H new ATOM 0 HA TRP A 57 2.945 -2.002 6.814 1.00 0.00 H new ATOM 0 HB2 TRP A 57 2.861 -1.991 9.845 1.00 0.00 H new ATOM 0 HB3 TRP A 57 2.458 -3.394 8.876 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.410 -1.480 10.249 1.00 0.00 H new ATOM 0 HE1 TRP A 57 7.599 -2.742 9.732 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.531 -4.926 6.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.380 -4.920 8.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.067 -6.574 5.991 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.456 -6.571 6.563 1.00 0.00 H new ATOM 881 N ILE A 58 0.460 -1.793 6.745 1.00 0.00 N ATOM 882 CA ILE A 58 -0.981 -1.774 6.714 1.00 0.00 C ATOM 883 C ILE A 58 -1.455 -3.165 6.329 1.00 0.00 C ATOM 884 O ILE A 58 -0.754 -3.871 5.627 1.00 0.00 O ATOM 885 CB ILE A 58 -1.533 -0.663 5.750 1.00 0.00 C ATOM 886 CG1 ILE A 58 -1.001 0.719 6.187 1.00 0.00 C ATOM 887 CG2 ILE A 58 -3.059 -0.650 5.728 1.00 0.00 C ATOM 888 CD1 ILE A 58 -1.536 1.889 5.392 1.00 0.00 C ATOM 0 H ILE A 58 0.902 -2.084 5.873 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.372 -1.516 7.698 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.186 -0.888 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.246 0.870 7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.086 0.714 6.111 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.406 0.130 5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.426 -1.617 5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.436 -0.454 6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.105 2.815 5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.268 1.769 4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.621 1.928 5.487 1.00 0.00 H new ATOM 900 N TYR A 59 -2.592 -3.578 6.833 1.00 0.00 N ATOM 901 CA TYR A 59 -3.092 -4.918 6.591 1.00 0.00 C ATOM 902 C TYR A 59 -3.876 -4.949 5.279 1.00 0.00 C ATOM 903 O TYR A 59 -3.997 -3.912 4.609 1.00 0.00 O ATOM 904 CB TYR A 59 -3.993 -5.357 7.743 1.00 0.00 C ATOM 905 CG TYR A 59 -3.388 -5.240 9.122 1.00 0.00 C ATOM 906 CD1 TYR A 59 -2.595 -6.242 9.640 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.622 -4.118 9.906 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.045 -6.134 10.902 1.00 0.00 C ATOM 909 CE2 TYR A 59 -3.078 -4.000 11.163 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.292 -5.011 11.657 1.00 0.00 C ATOM 911 OH TYR A 59 -1.739 -4.896 12.913 1.00 0.00 O ATOM 0 H TYR A 59 -3.197 -3.003 7.419 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.248 -5.604 6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.906 -4.762 7.714 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.283 -6.395 7.579 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.401 -7.125 9.049 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.243 -3.323 9.521 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.425 -6.926 11.294 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.268 -3.118 11.757 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.010 -4.043 13.313 1.00 0.00 H new ATOM 921 N TRP A 60 -4.421 -6.121 4.916 1.00 0.00 N ATOM 922 CA TRP A 60 -5.203 -6.252 3.680 1.00 0.00 C ATOM 923 C TRP A 60 -6.473 -5.393 3.821 1.00 0.00 C ATOM 924 O TRP A 60 -7.418 -5.807 4.519 1.00 0.00 O ATOM 925 CB TRP A 60 -5.651 -7.713 3.414 1.00 0.00 C ATOM 926 CG TRP A 60 -4.619 -8.819 3.544 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.783 -9.963 4.269 1.00 0.00 C ATOM 928 CD2 TRP A 60 -3.299 -8.916 2.958 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.684 -10.765 4.163 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.758 -10.154 3.376 1.00 0.00 C ATOM 931 CE3 TRP A 60 -2.521 -8.100 2.128 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.494 -10.587 2.997 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -1.258 -8.548 1.759 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.764 -9.775 2.193 1.00 0.00 C ATOM 0 H TRP A 60 -4.335 -6.982 5.456 1.00 0.00 H new ATOM 0 HA TRP A 60 -4.571 -5.931 2.852 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.469 -7.940 4.098 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.059 -7.757 2.404 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.663 -10.201 4.848 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.574 -11.678 4.604 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.893 -7.146 1.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.106 -11.538 3.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.645 -7.929 1.120 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.222 -10.087 1.883 1.00 0.00 H new ATOM 945 N ASP A 61 -6.458 -4.200 3.207 1.00 0.00 N ATOM 946 CA ASP A 61 -7.537 -3.183 3.298 1.00 0.00 C ATOM 947 C ASP A 61 -8.074 -2.980 4.700 1.00 0.00 C ATOM 948 O ASP A 61 -9.237 -3.253 4.998 1.00 0.00 O ATOM 949 CB ASP A 61 -8.686 -3.282 2.234 1.00 0.00 C ATOM 950 CG ASP A 61 -9.428 -4.613 2.150 1.00 0.00 C ATOM 951 OD1 ASP A 61 -10.377 -4.850 2.926 1.00 0.00 O ATOM 952 OD2 ASP A 61 -9.107 -5.439 1.261 1.00 0.00 O ATOM 0 H ASP A 61 -5.681 -3.901 2.618 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.003 -2.274 3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.414 -2.499 2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.262 -3.066 1.253 1.00 0.00 H new ATOM 957 N SER A 62 -7.222 -2.531 5.580 1.00 0.00 N ATOM 958 CA SER A 62 -7.622 -2.323 6.929 1.00 0.00 C ATOM 959 C SER A 62 -8.156 -0.917 7.150 1.00 0.00 C ATOM 960 O SER A 62 -8.968 -0.695 8.047 1.00 0.00 O ATOM 961 CB SER A 62 -6.454 -2.634 7.827 1.00 0.00 C ATOM 962 OG SER A 62 -5.295 -1.962 7.379 1.00 0.00 O ATOM 0 H SER A 62 -6.248 -2.304 5.380 1.00 0.00 H new ATOM 0 HA SER A 62 -8.448 -2.992 7.171 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.683 -2.334 8.850 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.275 -3.709 7.843 1.00 0.00 H new ATOM 0 HG SER A 62 -4.717 -1.761 8.144 1.00 0.00 H new ATOM 968 N ASN A 63 -7.746 0.021 6.296 1.00 0.00 N ATOM 969 CA ASN A 63 -8.140 1.425 6.451 1.00 0.00 C ATOM 970 C ASN A 63 -7.683 2.298 5.289 1.00 0.00 C ATOM 971 O ASN A 63 -8.423 3.180 4.833 1.00 0.00 O ATOM 972 CB ASN A 63 -7.678 2.019 7.825 1.00 0.00 C ATOM 973 CG ASN A 63 -6.168 1.933 8.133 1.00 0.00 C ATOM 974 OD1 ASN A 63 -5.306 2.027 7.261 1.00 0.00 O ATOM 975 ND2 ASN A 63 -5.854 1.681 9.371 1.00 0.00 N ATOM 0 H ASN A 63 -7.144 -0.162 5.493 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.230 1.432 6.440 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.976 3.067 7.862 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.219 1.505 8.619 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.876 1.557 9.634 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.586 1.607 10.078 1.00 0.00 H new ATOM 982 N ARG A 64 -6.497 2.047 4.789 1.00 0.00 N ATOM 983 CA ARG A 64 -5.928 2.866 3.738 1.00 0.00 C ATOM 984 C ARG A 64 -5.326 2.066 2.621 1.00 0.00 C ATOM 985 O ARG A 64 -4.439 2.540 1.929 1.00 0.00 O ATOM 986 CB ARG A 64 -4.889 3.779 4.336 1.00 0.00 C ATOM 987 CG ARG A 64 -5.402 5.161 4.515 1.00 0.00 C ATOM 988 CD ARG A 64 -4.434 6.034 5.261 1.00 0.00 C ATOM 989 NE ARG A 64 -4.191 5.591 6.644 1.00 0.00 N ATOM 990 CZ ARG A 64 -4.310 6.375 7.721 1.00 0.00 C ATOM 991 NH1 ARG A 64 -4.837 7.583 7.608 1.00 0.00 N ATOM 992 NH2 ARG A 64 -3.942 5.924 8.902 1.00 0.00 N ATOM 0 H ARG A 64 -5.901 1.277 5.094 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.743 3.441 3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.569 3.383 5.300 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.010 3.799 3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.606 5.600 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.349 5.128 5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.486 6.055 4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.815 7.055 5.276 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.913 4.621 6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.154 7.918 6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.927 8.179 8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.568 4.980 8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.031 6.519 9.726 1.00 0.00 H new ATOM 1006 N LEU A 65 -5.843 0.905 2.386 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.290 0.061 1.357 1.00 0.00 C ATOM 1008 C LEU A 65 -6.354 -0.472 0.415 1.00 0.00 C ATOM 1009 O LEU A 65 -7.466 -0.781 0.831 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.469 -1.074 1.964 1.00 0.00 C ATOM 1011 CG LEU A 65 -2.970 -1.034 1.654 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.733 -0.911 0.167 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -2.288 0.106 2.363 1.00 0.00 C ATOM 0 H LEU A 65 -6.642 0.513 2.884 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.623 0.682 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.600 -1.057 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.872 -2.022 1.609 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.544 -1.971 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.661 -0.884 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.175 -1.767 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.192 0.007 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.226 0.103 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.730 1.050 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.414 -0.008 3.440 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.021 -0.514 -0.849 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.874 -1.020 -1.888 1.00 0.00 C ATOM 1027 C ARG A 66 -6.138 -2.078 -2.721 1.00 0.00 C ATOM 1028 O ARG A 66 -5.095 -1.777 -3.440 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.370 0.103 -2.805 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.227 -0.388 -3.963 1.00 0.00 C ATOM 1031 CD ARG A 66 -8.604 0.733 -4.910 1.00 0.00 C ATOM 1032 NE ARG A 66 -9.467 1.740 -4.302 1.00 0.00 N ATOM 1033 CZ ARG A 66 -9.757 2.927 -4.861 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -9.100 3.347 -5.947 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -10.670 3.706 -4.306 1.00 0.00 N ATOM 0 H ARG A 66 -5.118 -0.186 -1.193 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.739 -1.476 -1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.946 0.815 -2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.510 0.642 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.686 -1.159 -4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.133 -0.851 -3.572 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.695 1.214 -5.271 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.108 0.310 -5.779 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.877 1.529 -3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.371 2.765 -6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.328 4.250 -6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.150 3.405 -3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.894 4.608 -4.726 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.631 -3.330 -2.608 1.00 0.00 N ATOM 1050 CA PRO A 67 -6.166 -4.469 -3.390 1.00 0.00 C ATOM 1051 C PRO A 67 -6.520 -4.322 -4.866 1.00 0.00 C ATOM 1052 O PRO A 67 -6.985 -3.268 -5.307 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.921 -5.657 -2.776 1.00 0.00 C ATOM 1054 CG PRO A 67 -8.127 -5.056 -2.173 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.685 -3.736 -1.650 1.00 0.00 C ATOM 0 HA PRO A 67 -5.082 -4.577 -3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.182 -6.396 -3.534 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.316 -6.168 -2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.921 -4.941 -2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.522 -5.684 -1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.505 -3.018 -1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.298 -3.814 -0.634 1.00 0.00 H new ATOM 1063 N LEU A 68 -6.300 -5.364 -5.621 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.559 -5.366 -7.043 1.00 0.00 C ATOM 1065 C LEU A 68 -8.081 -5.304 -7.294 1.00 0.00 C ATOM 1066 O LEU A 68 -8.890 -5.388 -6.348 1.00 0.00 O ATOM 1067 CB LEU A 68 -5.954 -6.654 -7.656 1.00 0.00 C ATOM 1068 CG LEU A 68 -5.948 -6.787 -9.187 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -5.079 -5.713 -9.820 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -5.470 -8.171 -9.595 1.00 0.00 C ATOM 0 H LEU A 68 -5.932 -6.247 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.100 -4.496 -7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.924 -6.738 -7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.498 -7.506 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.968 -6.651 -9.547 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.090 -5.828 -10.904 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.466 -4.729 -9.555 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.056 -5.811 -9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.471 -8.250 -10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.459 -8.332 -9.220 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.137 -8.924 -9.176 1.00 0.00 H new ATOM 1082 N GLU A 69 -8.461 -5.125 -8.548 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.862 -5.136 -8.976 1.00 0.00 C ATOM 1084 C GLU A 69 -10.526 -6.473 -8.619 1.00 0.00 C ATOM 1085 O GLU A 69 -11.750 -6.547 -8.458 1.00 0.00 O ATOM 1086 CB GLU A 69 -9.946 -4.878 -10.487 1.00 0.00 C ATOM 1087 CG GLU A 69 -9.152 -5.870 -11.332 1.00 0.00 C ATOM 1088 CD GLU A 69 -9.209 -5.566 -12.802 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -8.350 -4.823 -13.289 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -10.108 -6.081 -13.501 1.00 0.00 O ATOM 0 H GLU A 69 -7.803 -4.966 -9.311 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.396 -4.343 -8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.992 -4.911 -10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.585 -3.870 -10.694 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.112 -5.866 -11.006 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.536 -6.875 -11.159 1.00 0.00 H new ATOM 1097 N ARG A 70 -9.680 -7.507 -8.487 1.00 0.00 N ATOM 1098 CA ARG A 70 -10.053 -8.859 -8.091 1.00 0.00 C ATOM 1099 C ARG A 70 -10.766 -9.577 -9.219 1.00 0.00 C ATOM 1100 O ARG A 70 -11.966 -9.382 -9.438 1.00 0.00 O ATOM 1101 CB ARG A 70 -10.887 -8.859 -6.803 1.00 0.00 C ATOM 1102 CG ARG A 70 -11.157 -10.219 -6.203 1.00 0.00 C ATOM 1103 CD ARG A 70 -11.939 -10.064 -4.915 1.00 0.00 C ATOM 1104 NE ARG A 70 -12.092 -11.325 -4.189 1.00 0.00 N ATOM 1105 CZ ARG A 70 -12.600 -11.428 -2.954 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -13.142 -10.370 -2.361 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -12.577 -12.585 -2.322 1.00 0.00 N ATOM 0 H ARG A 70 -8.680 -7.412 -8.662 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.136 -9.408 -7.877 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.375 -8.248 -6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.842 -8.376 -7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.717 -10.833 -6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.216 -10.734 -6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.435 -9.340 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.925 -9.658 -5.141 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.792 -12.182 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.173 -9.473 -2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.527 -10.454 -1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.172 -13.405 -2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.965 -12.660 -1.382 1.00 0.00 H new TER 1121 ARG A 70