USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 445 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.051) USER MOD Single : A 10 MET CE :methyl -149:sc= -1.83 (180deg=-4.55!) USER MOD Single : A 12 MET CE :methyl -179:sc= -1.65 (180deg=-1.7) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.51 K(o=-1.5,f=-5.6!) USER MOD Single : A 25 TYR OH : rot 130:sc= -0.341 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.538 X(o=-0.54,f=-0.063) USER MOD Single : A 39 THR OG1 : rot 86:sc= 1.07 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc=0.000464 X(o=0.00046,f=-0.03) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 18:sc= 0.908 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.29 K(o=-0.29,f=-6.3!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ALA A 5 -3.737 -11.372 1.142 1.00 0.00 N ATOM 48 CA ALA A 5 -2.847 -11.759 0.060 1.00 0.00 C ATOM 49 C ALA A 5 -3.097 -10.856 -1.148 1.00 0.00 C ATOM 50 O ALA A 5 -2.168 -10.521 -1.881 1.00 0.00 O ATOM 51 CB ALA A 5 -3.053 -13.240 -0.266 1.00 0.00 C ATOM 0 HA ALA A 5 -1.806 -11.632 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.386 -13.530 -1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.834 -13.841 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.087 -13.405 -0.570 1.00 0.00 H new ATOM 57 N GLU A 6 -4.358 -10.487 -1.321 1.00 0.00 N ATOM 58 CA GLU A 6 -4.742 -9.629 -2.428 1.00 0.00 C ATOM 59 C GLU A 6 -4.187 -8.217 -2.224 1.00 0.00 C ATOM 60 O GLU A 6 -3.665 -7.611 -3.158 1.00 0.00 O ATOM 61 CB GLU A 6 -6.263 -9.600 -2.597 1.00 0.00 C ATOM 62 CG GLU A 6 -6.703 -8.371 -3.395 1.00 0.00 C ATOM 63 CD GLU A 6 -7.882 -8.703 -4.310 1.00 0.00 C ATOM 64 OE1 GLU A 6 -9.024 -8.663 -3.804 1.00 0.00 O ATOM 65 OE2 GLU A 6 -7.615 -8.991 -5.497 1.00 0.00 O ATOM 0 H GLU A 6 -5.127 -10.767 -0.712 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.314 -10.038 -3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.593 -10.506 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.741 -9.592 -1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.984 -7.570 -2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.868 -8.003 -3.991 1.00 0.00 H new ATOM 70 N LEU A 7 -4.318 -7.737 -0.996 1.00 0.00 N ATOM 71 CA LEU A 7 -3.836 -6.408 -0.657 1.00 0.00 C ATOM 72 C LEU A 7 -2.332 -6.334 -0.925 1.00 0.00 C ATOM 73 O LEU A 7 -1.844 -5.346 -1.472 1.00 0.00 O ATOM 74 CB LEU A 7 -4.224 -6.048 0.778 1.00 0.00 C ATOM 75 CG LEU A 7 -5.483 -5.193 0.938 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.731 -6.072 1.052 1.00 0.00 C ATOM 77 CD2 LEU A 7 -5.348 -4.233 2.121 1.00 0.00 C ATOM 0 H LEU A 7 -4.751 -8.244 -0.224 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.310 -5.657 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.363 -6.972 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.389 -5.519 1.237 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.598 -4.584 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.612 -5.440 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.832 -6.679 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.639 -6.724 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.256 -3.638 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.195 -4.804 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.496 -3.573 1.958 1.00 0.00 H new ATOM 88 N LYS A 8 -1.639 -7.390 -0.526 1.00 0.00 N ATOM 89 CA LYS A 8 -0.200 -7.455 -0.716 1.00 0.00 C ATOM 90 C LYS A 8 0.114 -7.446 -2.214 1.00 0.00 C ATOM 91 O LYS A 8 0.972 -6.690 -2.668 1.00 0.00 O ATOM 92 CB LYS A 8 0.385 -8.659 0.026 1.00 0.00 C ATOM 93 CG LYS A 8 1.390 -8.213 1.089 1.00 0.00 C ATOM 94 CD LYS A 8 1.143 -8.935 2.415 1.00 0.00 C ATOM 95 CE LYS A 8 -0.041 -8.318 3.163 1.00 0.00 C ATOM 96 NZ LYS A 8 -0.683 -9.325 4.038 1.00 0.00 N ATOM 0 H LYS A 8 -2.047 -8.207 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 8 0.280 -6.578 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.418 -9.227 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.874 -9.326 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.404 -8.416 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.313 -7.136 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.949 -9.991 2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.038 -8.881 3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.300 -7.472 3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.768 -7.931 2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.484 -8.890 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.025 -10.119 3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.009 -9.674 4.731 1.00 0.00 H new ATOM 106 N GLN A 9 -0.599 -8.293 -2.940 1.00 0.00 N ATOM 107 CA GLN A 9 -0.408 -8.391 -4.378 1.00 0.00 C ATOM 108 C GLN A 9 -0.670 -7.039 -5.042 1.00 0.00 C ATOM 109 O GLN A 9 0.069 -6.628 -5.936 1.00 0.00 O ATOM 110 CB GLN A 9 -1.303 -9.479 -4.977 1.00 0.00 C ATOM 111 CG GLN A 9 -0.557 -10.812 -5.072 1.00 0.00 C ATOM 112 CD GLN A 9 0.033 -11.012 -6.470 1.00 0.00 C ATOM 113 OE1 GLN A 9 -0.671 -11.076 -7.465 1.00 0.00 O ATOM 114 NE2 GLN A 9 1.360 -11.108 -6.489 1.00 0.00 N ATOM 0 H GLN A 9 -1.310 -8.918 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 9 0.628 -8.672 -4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.195 -9.600 -4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.638 -9.174 -5.968 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.240 -10.840 -4.329 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.238 -11.631 -4.840 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.888 -11.046 -5.619 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.849 -11.244 -7.374 1.00 0.00 H new ATOM 121 N MET A 10 -1.725 -6.382 -4.580 1.00 0.00 N ATOM 122 CA MET A 10 -2.093 -5.084 -5.118 1.00 0.00 C ATOM 123 C MET A 10 -1.099 -4.007 -4.682 1.00 0.00 C ATOM 124 O MET A 10 -0.655 -3.200 -5.497 1.00 0.00 O ATOM 125 CB MET A 10 -3.495 -4.710 -4.633 1.00 0.00 C ATOM 126 CG MET A 10 -4.527 -5.744 -5.087 1.00 0.00 C ATOM 127 SD MET A 10 -5.768 -4.963 -6.105 1.00 0.00 S ATOM 128 CE MET A 10 -6.271 -3.639 -5.020 1.00 0.00 C ATOM 0 H MET A 10 -2.336 -6.725 -3.839 1.00 0.00 H new ATOM 0 HA MET A 10 -2.079 -5.146 -6.206 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.500 -4.639 -3.545 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.766 -3.727 -5.018 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.035 -6.540 -5.646 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.996 -6.207 -4.219 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.322 -3.407 -5.192 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.132 -3.946 -3.983 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.666 -2.755 -5.221 1.00 0.00 H new ATOM 136 N VAL A 11 -0.776 -4.030 -3.396 1.00 0.00 N ATOM 137 CA VAL A 11 0.159 -3.065 -2.843 1.00 0.00 C ATOM 138 C VAL A 11 1.545 -3.301 -3.445 1.00 0.00 C ATOM 139 O VAL A 11 2.285 -2.352 -3.701 1.00 0.00 O ATOM 140 CB VAL A 11 0.150 -3.146 -1.315 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.489 -2.689 -0.734 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.008 -2.333 -0.730 1.00 0.00 C ATOM 0 H VAL A 11 -1.145 -4.701 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.140 -2.050 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 11 0.002 -4.189 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.456 -2.756 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.287 -3.328 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.680 -1.657 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.992 -2.407 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.904 -1.289 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.953 -2.724 -1.106 1.00 0.00 H new ATOM 152 N MET A 12 1.856 -4.571 -3.655 1.00 0.00 N ATOM 153 CA MET A 12 3.140 -4.944 -4.222 1.00 0.00 C ATOM 154 C MET A 12 3.300 -4.380 -5.635 1.00 0.00 C ATOM 155 O MET A 12 4.414 -4.287 -6.150 1.00 0.00 O ATOM 156 CB MET A 12 3.257 -6.469 -4.266 1.00 0.00 C ATOM 157 CG MET A 12 3.858 -7.010 -2.966 1.00 0.00 C ATOM 158 SD MET A 12 5.226 -8.097 -3.333 1.00 0.00 S ATOM 159 CE MET A 12 6.593 -7.022 -2.928 1.00 0.00 C ATOM 0 H MET A 12 1.240 -5.356 -3.442 1.00 0.00 H new ATOM 0 HA MET A 12 3.927 -4.528 -3.593 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.273 -6.909 -4.426 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.880 -6.765 -5.110 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.197 -6.184 -2.341 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.097 -7.547 -2.400 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.533 -7.541 -3.118 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.544 -6.123 -3.543 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.538 -6.744 -1.875 1.00 0.00 H new ATOM 167 N SER A 13 2.170 -4.017 -6.224 1.00 0.00 N ATOM 168 CA SER A 13 2.170 -3.464 -7.568 1.00 0.00 C ATOM 169 C SER A 13 2.197 -1.935 -7.505 1.00 0.00 C ATOM 170 O SER A 13 2.871 -1.289 -8.306 1.00 0.00 O ATOM 171 CB SER A 13 0.951 -3.941 -8.361 1.00 0.00 C ATOM 172 OG SER A 13 1.277 -5.004 -9.252 1.00 0.00 O ATOM 0 H SER A 13 1.248 -4.095 -5.795 1.00 0.00 H new ATOM 0 HA SER A 13 3.064 -3.816 -8.082 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.176 -4.272 -7.670 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.538 -3.107 -8.928 1.00 0.00 H new ATOM 0 HG SER A 13 0.473 -5.282 -9.738 1.00 0.00 H new ATOM 177 N LEU A 14 1.455 -1.402 -6.546 1.00 0.00 N ATOM 178 CA LEU A 14 1.385 0.039 -6.368 1.00 0.00 C ATOM 179 C LEU A 14 2.783 0.638 -6.537 1.00 0.00 C ATOM 180 O LEU A 14 3.784 -0.032 -6.284 1.00 0.00 O ATOM 181 CB LEU A 14 0.728 0.383 -5.030 1.00 0.00 C ATOM 182 CG LEU A 14 -0.751 0.013 -4.895 1.00 0.00 C ATOM 183 CD1 LEU A 14 -1.215 0.128 -3.441 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.614 0.851 -5.840 1.00 0.00 C ATOM 0 H LEU A 14 0.897 -1.941 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 14 0.750 0.486 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.282 -0.119 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.831 1.455 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.870 -1.030 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.269 -0.140 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.628 -0.546 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.079 1.153 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.660 0.568 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.495 1.908 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.302 0.675 -6.870 1.00 0.00 H new ATOM 195 N ARG A 15 2.806 1.891 -6.965 1.00 0.00 N ATOM 196 CA ARG A 15 4.065 2.588 -7.172 1.00 0.00 C ATOM 197 C ARG A 15 4.552 3.205 -5.858 1.00 0.00 C ATOM 198 O ARG A 15 3.803 3.274 -4.885 1.00 0.00 O ATOM 199 CB ARG A 15 3.919 3.691 -8.221 1.00 0.00 C ATOM 200 CG ARG A 15 2.962 4.784 -7.739 1.00 0.00 C ATOM 201 CD ARG A 15 2.226 5.427 -8.917 1.00 0.00 C ATOM 202 NE ARG A 15 2.126 6.889 -8.712 1.00 0.00 N ATOM 203 CZ ARG A 15 1.380 7.704 -9.470 1.00 0.00 C ATOM 204 NH1 ARG A 15 0.665 7.205 -10.487 1.00 0.00 N ATOM 205 NH2 ARG A 15 1.349 9.019 -9.211 1.00 0.00 N ATOM 0 H ARG A 15 1.974 2.442 -7.174 1.00 0.00 H new ATOM 0 HA ARG A 15 4.793 1.859 -7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.895 4.126 -8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.549 3.264 -9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.239 4.359 -7.043 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.519 5.546 -7.194 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.756 5.217 -9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.230 4.996 -9.013 1.00 0.00 H new ATOM 0 HE ARG A 15 2.658 7.302 -7.946 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.688 6.205 -10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.097 7.825 -11.064 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.893 9.399 -8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.781 9.639 -9.788 1.00 0.00 H new ATOM 216 N VAL A 16 5.804 3.637 -5.874 1.00 0.00 N ATOM 217 CA VAL A 16 6.400 4.246 -4.696 1.00 0.00 C ATOM 218 C VAL A 16 5.499 5.381 -4.204 1.00 0.00 C ATOM 219 O VAL A 16 5.225 5.485 -3.008 1.00 0.00 O ATOM 220 CB VAL A 16 7.825 4.708 -5.011 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.419 5.487 -3.836 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.715 3.522 -5.388 1.00 0.00 C ATOM 0 H VAL A 16 6.422 3.578 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 16 6.479 3.519 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 16 7.779 5.378 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.432 5.804 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.804 6.364 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.445 4.849 -2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.722 3.878 -5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.752 2.817 -4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.306 3.026 -6.268 1.00 0.00 H new ATOM 232 N SER A 17 5.064 6.201 -5.148 1.00 0.00 N ATOM 233 CA SER A 17 4.201 7.324 -4.824 1.00 0.00 C ATOM 234 C SER A 17 2.912 6.821 -4.170 1.00 0.00 C ATOM 235 O SER A 17 2.385 7.457 -3.258 1.00 0.00 O ATOM 236 CB SER A 17 3.875 8.147 -6.072 1.00 0.00 C ATOM 237 OG SER A 17 4.363 9.482 -5.973 1.00 0.00 O ATOM 0 H SER A 17 5.293 6.111 -6.138 1.00 0.00 H new ATOM 0 HA SER A 17 4.730 7.970 -4.123 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.310 7.666 -6.948 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.796 8.166 -6.222 1.00 0.00 H new ATOM 0 HG SER A 17 4.137 9.974 -6.789 1.00 0.00 H new ATOM 242 N GLU A 18 2.442 5.683 -4.660 1.00 0.00 N ATOM 243 CA GLU A 18 1.226 5.087 -4.134 1.00 0.00 C ATOM 244 C GLU A 18 1.470 4.534 -2.728 1.00 0.00 C ATOM 245 O GLU A 18 0.615 4.655 -1.853 1.00 0.00 O ATOM 246 CB GLU A 18 0.701 3.996 -5.069 1.00 0.00 C ATOM 247 CG GLU A 18 -0.062 4.604 -6.248 1.00 0.00 C ATOM 248 CD GLU A 18 -0.368 3.544 -7.308 1.00 0.00 C ATOM 249 OE1 GLU A 18 0.577 2.806 -7.660 1.00 0.00 O ATOM 250 OE2 GLU A 18 -1.539 3.497 -7.742 1.00 0.00 O ATOM 0 H GLU A 18 2.882 5.158 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 18 0.463 5.863 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.534 3.398 -5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.046 3.322 -4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.992 5.048 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.526 5.407 -6.691 1.00 0.00 H new ATOM 255 N LEU A 19 2.642 3.939 -2.556 1.00 0.00 N ATOM 256 CA LEU A 19 3.009 3.367 -1.273 1.00 0.00 C ATOM 257 C LEU A 19 3.161 4.489 -0.244 1.00 0.00 C ATOM 258 O LEU A 19 2.868 4.298 0.936 1.00 0.00 O ATOM 259 CB LEU A 19 4.254 2.490 -1.414 1.00 0.00 C ATOM 260 CG LEU A 19 4.070 1.180 -2.182 1.00 0.00 C ATOM 261 CD1 LEU A 19 5.239 0.934 -3.138 1.00 0.00 C ATOM 262 CD2 LEU A 19 3.857 0.007 -1.223 1.00 0.00 C ATOM 0 H LEU A 19 3.349 3.841 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 19 2.221 2.706 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.030 3.073 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.622 2.254 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 19 3.170 1.266 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.082 -0.004 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.301 1.753 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.168 0.878 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.729 -0.912 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.724 -0.090 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.966 0.187 -0.621 1.00 0.00 H new ATOM 273 N GLN A 20 3.619 5.634 -0.728 1.00 0.00 N ATOM 274 CA GLN A 20 3.813 6.787 0.135 1.00 0.00 C ATOM 275 C GLN A 20 2.478 7.229 0.738 1.00 0.00 C ATOM 276 O GLN A 20 2.437 7.741 1.856 1.00 0.00 O ATOM 277 CB GLN A 20 4.480 7.935 -0.625 1.00 0.00 C ATOM 278 CG GLN A 20 5.969 7.660 -0.838 1.00 0.00 C ATOM 279 CD GLN A 20 6.770 8.965 -0.857 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.377 9.972 -0.291 1.00 0.00 O ATOM 281 NE2 GLN A 20 7.910 8.889 -1.536 1.00 0.00 N ATOM 0 H GLN A 20 3.861 5.788 -1.707 1.00 0.00 H new ATOM 0 HA GLN A 20 4.479 6.500 0.949 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.990 8.070 -1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.354 8.865 -0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.340 7.013 -0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.113 7.127 -1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.178 8.014 -1.986 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.517 9.706 -1.607 1.00 0.00 H new ATOM 288 N VAL A 21 1.419 7.017 -0.030 1.00 0.00 N ATOM 289 CA VAL A 21 0.086 7.388 0.414 1.00 0.00 C ATOM 290 C VAL A 21 -0.369 6.422 1.510 1.00 0.00 C ATOM 291 O VAL A 21 -1.014 6.831 2.473 1.00 0.00 O ATOM 292 CB VAL A 21 -0.870 7.431 -0.780 1.00 0.00 C ATOM 293 CG1 VAL A 21 -2.152 8.186 -0.428 1.00 0.00 C ATOM 294 CG2 VAL A 21 -0.190 8.046 -2.005 1.00 0.00 C ATOM 0 H VAL A 21 1.457 6.593 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 21 0.092 8.389 0.845 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.143 6.405 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.814 8.202 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.652 7.687 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.905 9.208 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.891 8.065 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.126 9.063 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.681 7.449 -2.276 1.00 0.00 H new ATOM 304 N LEU A 22 -0.015 5.159 1.325 1.00 0.00 N ATOM 305 CA LEU A 22 -0.379 4.132 2.286 1.00 0.00 C ATOM 306 C LEU A 22 0.203 4.491 3.655 1.00 0.00 C ATOM 307 O LEU A 22 -0.493 4.418 4.667 1.00 0.00 O ATOM 308 CB LEU A 22 0.047 2.751 1.781 1.00 0.00 C ATOM 309 CG LEU A 22 -0.405 2.387 0.366 1.00 0.00 C ATOM 310 CD1 LEU A 22 -0.216 0.893 0.097 1.00 0.00 C ATOM 311 CD2 LEU A 22 -1.847 2.836 0.117 1.00 0.00 C ATOM 0 H LEU A 22 0.520 4.823 0.524 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.462 4.085 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.135 2.691 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.339 1.999 2.469 1.00 0.00 H new ATOM 0 HG LEU A 22 0.226 2.924 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.545 0.661 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.837 0.634 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.805 0.317 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.143 2.565 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.509 2.347 0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.918 3.917 0.239 1.00 0.00 H new ATOM 322 N LEU A 23 1.471 4.872 3.643 1.00 0.00 N ATOM 323 CA LEU A 23 2.154 5.243 4.871 1.00 0.00 C ATOM 324 C LEU A 23 1.687 6.633 5.309 1.00 0.00 C ATOM 325 O LEU A 23 1.390 6.851 6.482 1.00 0.00 O ATOM 326 CB LEU A 23 3.669 5.130 4.696 1.00 0.00 C ATOM 327 CG LEU A 23 4.183 3.802 4.136 1.00 0.00 C ATOM 328 CD1 LEU A 23 5.669 3.613 4.450 1.00 0.00 C ATOM 329 CD2 LEU A 23 3.338 2.631 4.640 1.00 0.00 C ATOM 0 H LEU A 23 2.044 4.932 2.802 1.00 0.00 H new ATOM 0 HA LEU A 23 1.897 4.552 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.999 5.932 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.140 5.300 5.664 1.00 0.00 H new ATOM 0 HG LEU A 23 4.084 3.828 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.009 2.662 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.242 4.426 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.816 3.617 5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.725 1.699 4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.383 2.592 5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.304 2.766 4.324 1.00 0.00 H new ATOM 340 N GLY A 24 1.637 7.537 4.341 1.00 0.00 N ATOM 341 CA GLY A 24 1.210 8.900 4.612 1.00 0.00 C ATOM 342 C GLY A 24 -0.180 8.922 5.251 1.00 0.00 C ATOM 343 O GLY A 24 -0.404 9.627 6.234 1.00 0.00 O ATOM 0 H GLY A 24 1.885 7.353 3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.927 9.384 5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.197 9.472 3.684 1.00 0.00 H new ATOM 347 N TYR A 25 -1.078 8.144 4.666 1.00 0.00 N ATOM 348 CA TYR A 25 -2.440 8.066 5.166 1.00 0.00 C ATOM 349 C TYR A 25 -2.483 7.393 6.539 1.00 0.00 C ATOM 350 O TYR A 25 -3.279 7.774 7.395 1.00 0.00 O ATOM 351 CB TYR A 25 -3.208 7.202 4.163 1.00 0.00 C ATOM 352 CG TYR A 25 -4.721 7.184 4.388 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.379 8.344 4.745 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.428 6.009 4.233 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.804 8.327 4.957 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.853 5.992 4.444 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.470 7.152 4.796 1.00 0.00 C ATOM 358 OH TYR A 25 -8.815 7.137 4.996 1.00 0.00 O ATOM 0 H TYR A 25 -0.889 7.562 3.850 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.867 9.063 5.273 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.005 7.566 3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.831 6.181 4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.826 9.264 4.865 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.913 5.102 3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.331 9.227 5.237 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.418 5.079 4.325 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.254 6.707 4.233 1.00 0.00 H new ATOM 367 N ALA A 26 -1.616 6.405 6.706 1.00 0.00 N ATOM 368 CA ALA A 26 -1.545 5.676 7.960 1.00 0.00 C ATOM 369 C ALA A 26 -0.679 6.458 8.951 1.00 0.00 C ATOM 370 O ALA A 26 -0.573 6.081 10.118 1.00 0.00 O ATOM 371 CB ALA A 26 -1.007 4.267 7.701 1.00 0.00 C ATOM 0 H ALA A 26 -0.957 6.093 5.993 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.537 5.571 8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.953 3.719 8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.672 3.744 7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.011 4.333 7.262 1.00 0.00 H new ATOM 377 N GLY A 27 -0.083 7.529 8.450 1.00 0.00 N ATOM 378 CA GLY A 27 0.769 8.366 9.276 1.00 0.00 C ATOM 379 C GLY A 27 2.228 7.910 9.198 1.00 0.00 C ATOM 380 O GLY A 27 3.143 8.726 9.295 1.00 0.00 O ATOM 0 H GLY A 27 -0.173 7.837 7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.691 9.403 8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.428 8.329 10.311 1.00 0.00 H new ATOM 384 N ARG A 28 2.398 6.607 9.024 1.00 0.00 N ATOM 385 CA ARG A 28 3.729 6.033 8.931 1.00 0.00 C ATOM 386 C ARG A 28 4.636 6.929 8.085 1.00 0.00 C ATOM 387 O ARG A 28 4.192 7.511 7.097 1.00 0.00 O ATOM 388 CB ARG A 28 3.685 4.635 8.312 1.00 0.00 C ATOM 389 CG ARG A 28 2.976 3.647 9.241 1.00 0.00 C ATOM 390 CD ARG A 28 3.740 3.488 10.558 1.00 0.00 C ATOM 391 NE ARG A 28 3.329 2.238 11.234 1.00 0.00 N ATOM 392 CZ ARG A 28 3.793 1.842 12.427 1.00 0.00 C ATOM 393 NH1 ARG A 28 4.685 2.596 13.083 1.00 0.00 N ATOM 394 NH2 ARG A 28 3.365 0.691 12.964 1.00 0.00 N ATOM 0 H ARG A 28 1.636 5.933 8.945 1.00 0.00 H new ATOM 0 HA ARG A 28 4.128 5.957 9.943 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.168 4.674 7.353 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.699 4.289 8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.963 3.995 9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.887 2.679 8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.813 3.471 10.366 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.546 4.342 11.206 1.00 0.00 H new ATOM 0 HE ARG A 28 2.650 1.640 10.763 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.011 3.472 12.674 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.038 2.294 13.991 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.686 0.117 12.464 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.718 0.389 13.872 1.00 0.00 H new ATOM 405 N ASN A 29 5.890 7.011 8.504 1.00 0.00 N ATOM 406 CA ASN A 29 6.865 7.826 7.797 1.00 0.00 C ATOM 407 C ASN A 29 7.269 7.120 6.502 1.00 0.00 C ATOM 408 O ASN A 29 7.668 5.956 6.522 1.00 0.00 O ATOM 409 CB ASN A 29 8.126 8.030 8.638 1.00 0.00 C ATOM 410 CG ASN A 29 9.098 8.987 7.944 1.00 0.00 C ATOM 411 OD1 ASN A 29 8.721 10.017 7.410 1.00 0.00 O ATOM 412 ND2 ASN A 29 10.367 8.589 7.982 1.00 0.00 N ATOM 0 H ASN A 29 6.254 6.527 9.324 1.00 0.00 H new ATOM 0 HA ASN A 29 6.409 8.794 7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.855 8.427 9.616 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.614 7.070 8.808 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.093 9.158 7.547 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.614 7.715 8.446 1.00 0.00 H new ATOM 418 N LYS A 30 7.152 7.854 5.404 1.00 0.00 N ATOM 419 CA LYS A 30 7.500 7.312 4.102 1.00 0.00 C ATOM 420 C LYS A 30 8.853 7.878 3.665 1.00 0.00 C ATOM 421 O LYS A 30 8.930 8.999 3.166 1.00 0.00 O ATOM 422 CB LYS A 30 6.375 7.566 3.096 1.00 0.00 C ATOM 423 CG LYS A 30 6.286 9.050 2.737 1.00 0.00 C ATOM 424 CD LYS A 30 4.830 9.517 2.692 1.00 0.00 C ATOM 425 CE LYS A 30 4.598 10.683 3.656 1.00 0.00 C ATOM 426 NZ LYS A 30 3.555 11.591 3.130 1.00 0.00 N ATOM 0 H LYS A 30 6.821 8.819 5.390 1.00 0.00 H new ATOM 0 HA LYS A 30 7.608 6.229 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.550 6.980 2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.426 7.232 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.838 9.639 3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.757 9.223 1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.574 9.823 1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.171 8.689 2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.298 10.301 4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.528 11.233 3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.410 12.376 3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.856 11.969 2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.664 11.067 3.014 1.00 0.00 H new ATOM 436 N HIS A 31 9.887 7.074 3.867 1.00 0.00 N ATOM 437 CA HIS A 31 11.234 7.481 3.500 1.00 0.00 C ATOM 438 C HIS A 31 12.116 6.242 3.333 1.00 0.00 C ATOM 439 O HIS A 31 12.089 5.338 4.166 1.00 0.00 O ATOM 440 CB HIS A 31 11.796 8.476 4.516 1.00 0.00 C ATOM 441 CG HIS A 31 12.854 9.396 3.954 1.00 0.00 C ATOM 442 ND1 HIS A 31 14.203 9.088 3.974 1.00 0.00 N ATOM 443 CD2 HIS A 31 12.747 10.617 3.356 1.00 0.00 C ATOM 444 CE1 HIS A 31 14.868 10.086 3.411 1.00 0.00 C ATOM 445 NE2 HIS A 31 13.964 11.033 3.030 1.00 0.00 N ATOM 0 H HIS A 31 9.820 6.144 4.280 1.00 0.00 H new ATOM 0 HA HIS A 31 11.213 8.001 2.542 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.978 9.078 4.910 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.218 7.923 5.355 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.827 11.154 3.178 1.00 0.00 H new ATOM 0 HE1 HIS A 31 15.938 10.140 3.277 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.187 11.916 2.570 1.00 0.00 H new ATOM 452 N GLY A 32 12.877 6.239 2.248 1.00 0.00 N ATOM 453 CA GLY A 32 13.766 5.126 1.961 1.00 0.00 C ATOM 454 C GLY A 32 13.506 4.565 0.561 1.00 0.00 C ATOM 455 O GLY A 32 12.886 5.225 -0.271 1.00 0.00 O ATOM 0 H GLY A 32 12.896 6.989 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.803 5.454 2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.624 4.341 2.704 1.00 0.00 H new ATOM 459 N ARG A 33 13.993 3.351 0.346 1.00 0.00 N ATOM 460 CA ARG A 33 13.821 2.693 -0.939 1.00 0.00 C ATOM 461 C ARG A 33 12.438 2.045 -1.022 1.00 0.00 C ATOM 462 O ARG A 33 11.708 2.003 -0.033 1.00 0.00 O ATOM 463 CB ARG A 33 14.893 1.624 -1.157 1.00 0.00 C ATOM 464 CG ARG A 33 15.875 2.047 -2.251 1.00 0.00 C ATOM 465 CD ARG A 33 15.547 1.360 -3.579 1.00 0.00 C ATOM 466 NE ARG A 33 16.797 1.005 -4.287 1.00 0.00 N ATOM 467 CZ ARG A 33 17.582 1.890 -4.916 1.00 0.00 C ATOM 468 NH1 ARG A 33 17.250 3.189 -4.928 1.00 0.00 N ATOM 469 NH2 ARG A 33 18.697 1.478 -5.533 1.00 0.00 N ATOM 0 H ARG A 33 14.506 2.806 1.039 1.00 0.00 H new ATOM 0 HA ARG A 33 13.917 3.451 -1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 33 15.433 1.450 -0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.421 0.681 -1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.839 3.129 -2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.892 1.796 -1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.955 0.463 -3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.942 2.021 -4.200 1.00 0.00 H new ATOM 0 HE ARG A 33 17.079 0.025 -4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.401 3.503 -4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.847 3.864 -5.407 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.949 0.490 -5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 33 19.294 2.153 -6.012 1.00 0.00 H new ATOM 480 N LYS A 34 12.120 1.556 -2.211 1.00 0.00 N ATOM 481 CA LYS A 34 10.837 0.912 -2.437 1.00 0.00 C ATOM 482 C LYS A 34 10.745 -0.347 -1.571 1.00 0.00 C ATOM 483 O LYS A 34 9.693 -0.640 -1.006 1.00 0.00 O ATOM 484 CB LYS A 34 10.624 0.648 -3.929 1.00 0.00 C ATOM 485 CG LYS A 34 9.254 0.017 -4.184 1.00 0.00 C ATOM 486 CD LYS A 34 9.315 -0.972 -5.350 1.00 0.00 C ATOM 487 CE LYS A 34 9.523 -2.402 -4.847 1.00 0.00 C ATOM 488 NZ LYS A 34 10.614 -3.063 -5.599 1.00 0.00 N ATOM 0 H LYS A 34 12.729 1.593 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 34 10.022 1.570 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.706 1.583 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.407 -0.013 -4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.913 -0.496 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.525 0.797 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.392 -0.917 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.128 -0.697 -6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.763 -2.388 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.600 -2.971 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.742 -4.032 -5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.371 -3.093 -6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.497 -2.529 -5.471 1.00 0.00 H new ATOM 498 N HIS A 35 11.860 -1.057 -1.495 1.00 0.00 N ATOM 499 CA HIS A 35 11.919 -2.278 -0.709 1.00 0.00 C ATOM 500 C HIS A 35 11.562 -1.967 0.747 1.00 0.00 C ATOM 501 O HIS A 35 10.891 -2.758 1.407 1.00 0.00 O ATOM 502 CB HIS A 35 13.283 -2.953 -0.854 1.00 0.00 C ATOM 503 CG HIS A 35 13.534 -4.054 0.150 1.00 0.00 C ATOM 504 ND1 HIS A 35 13.489 -5.396 -0.181 1.00 0.00 N ATOM 505 CD2 HIS A 35 13.834 -3.995 1.479 1.00 0.00 C ATOM 506 CE1 HIS A 35 13.750 -6.105 0.907 1.00 0.00 C ATOM 507 NE2 HIS A 35 13.964 -5.235 1.936 1.00 0.00 N ATOM 0 H HIS A 35 12.731 -0.810 -1.965 1.00 0.00 H new ATOM 0 HA HIS A 35 11.185 -2.992 -1.083 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.368 -3.366 -1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 35 14.063 -2.198 -0.753 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.947 -3.092 2.061 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.787 -7.183 0.969 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.187 -5.494 2.897 1.00 0.00 H new ATOM 514 N GLU A 36 12.029 -0.814 1.204 1.00 0.00 N ATOM 515 CA GLU A 36 11.769 -0.390 2.568 1.00 0.00 C ATOM 516 C GLU A 36 10.288 -0.052 2.745 1.00 0.00 C ATOM 517 O GLU A 36 9.664 -0.469 3.720 1.00 0.00 O ATOM 518 CB GLU A 36 12.653 0.799 2.951 1.00 0.00 C ATOM 519 CG GLU A 36 14.092 0.350 3.215 1.00 0.00 C ATOM 520 CD GLU A 36 14.459 0.525 4.690 1.00 0.00 C ATOM 521 OE1 GLU A 36 14.428 1.688 5.147 1.00 0.00 O ATOM 522 OE2 GLU A 36 14.763 -0.507 5.326 1.00 0.00 O ATOM 0 H GLU A 36 12.586 -0.161 0.653 1.00 0.00 H new ATOM 0 HA GLU A 36 12.016 -1.214 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.640 1.539 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.251 1.284 3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.209 -0.695 2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.777 0.929 2.595 1.00 0.00 H new ATOM 527 N LEU A 37 9.768 0.703 1.789 1.00 0.00 N ATOM 528 CA LEU A 37 8.372 1.103 1.826 1.00 0.00 C ATOM 529 C LEU A 37 7.487 -0.132 1.641 1.00 0.00 C ATOM 530 O LEU A 37 6.451 -0.261 2.292 1.00 0.00 O ATOM 531 CB LEU A 37 8.103 2.211 0.806 1.00 0.00 C ATOM 532 CG LEU A 37 8.971 3.464 0.934 1.00 0.00 C ATOM 533 CD1 LEU A 37 9.177 4.128 -0.429 1.00 0.00 C ATOM 534 CD2 LEU A 37 8.386 4.434 1.961 1.00 0.00 C ATOM 0 H LEU A 37 10.289 1.049 0.983 1.00 0.00 H new ATOM 0 HA LEU A 37 8.125 1.531 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.240 1.799 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.057 2.507 0.888 1.00 0.00 H new ATOM 0 HG LEU A 37 9.953 3.164 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.797 5.016 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.670 3.428 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.211 4.413 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.023 5.316 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.385 4.733 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.333 3.945 2.934 1.00 0.00 H new ATOM 545 N LEU A 38 7.927 -1.007 0.749 1.00 0.00 N ATOM 546 CA LEU A 38 7.189 -2.227 0.470 1.00 0.00 C ATOM 547 C LEU A 38 7.047 -3.039 1.758 1.00 0.00 C ATOM 548 O LEU A 38 5.945 -3.449 2.121 1.00 0.00 O ATOM 549 CB LEU A 38 7.845 -3.001 -0.676 1.00 0.00 C ATOM 550 CG LEU A 38 7.174 -2.870 -2.044 1.00 0.00 C ATOM 551 CD1 LEU A 38 5.916 -3.737 -2.123 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.881 -1.405 -2.375 1.00 0.00 C ATOM 0 H LEU A 38 8.786 -0.895 0.210 1.00 0.00 H new ATOM 0 HA LEU A 38 6.181 -1.992 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.879 -2.669 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.872 -4.057 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 38 7.868 -3.238 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.458 -3.625 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.183 -4.782 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.209 -3.423 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.404 -1.341 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.216 -0.987 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.814 -0.842 -2.389 1.00 0.00 H new ATOM 563 N THR A 39 8.178 -3.248 2.416 1.00 0.00 N ATOM 564 CA THR A 39 8.195 -4.005 3.656 1.00 0.00 C ATOM 565 C THR A 39 7.326 -3.316 4.712 1.00 0.00 C ATOM 566 O THR A 39 6.634 -3.982 5.481 1.00 0.00 O ATOM 567 CB THR A 39 9.652 -4.175 4.088 1.00 0.00 C ATOM 568 OG1 THR A 39 10.245 -4.915 3.024 1.00 0.00 O ATOM 569 CG2 THR A 39 9.800 -5.089 5.305 1.00 0.00 C ATOM 0 H THR A 39 9.090 -2.906 2.113 1.00 0.00 H new ATOM 0 HA THR A 39 7.764 -4.997 3.519 1.00 0.00 H new ATOM 0 HB THR A 39 10.079 -3.198 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.547 -4.298 2.325 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.854 -5.175 5.569 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.248 -4.668 6.146 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.403 -6.076 5.069 1.00 0.00 H new ATOM 577 N LYS A 40 7.388 -1.993 4.713 1.00 0.00 N ATOM 578 CA LYS A 40 6.616 -1.208 5.660 1.00 0.00 C ATOM 579 C LYS A 40 5.126 -1.360 5.347 1.00 0.00 C ATOM 580 O LYS A 40 4.306 -1.482 6.256 1.00 0.00 O ATOM 581 CB LYS A 40 7.098 0.244 5.671 1.00 0.00 C ATOM 582 CG LYS A 40 7.970 0.524 6.896 1.00 0.00 C ATOM 583 CD LYS A 40 8.839 1.764 6.678 1.00 0.00 C ATOM 584 CE LYS A 40 10.195 1.385 6.078 1.00 0.00 C ATOM 585 NZ LYS A 40 11.286 2.109 6.767 1.00 0.00 N ATOM 0 H LYS A 40 7.962 -1.445 4.072 1.00 0.00 H new ATOM 0 HA LYS A 40 6.768 -1.577 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.664 0.450 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.240 0.916 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.337 0.668 7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.605 -0.338 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.326 2.460 6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.988 2.279 7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.351 0.310 6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.208 1.622 5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.199 1.841 6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.144 3.134 6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.283 1.862 7.777 1.00 0.00 H new ATOM 595 N ALA A 41 4.821 -1.349 4.058 1.00 0.00 N ATOM 596 CA ALA A 41 3.445 -1.484 3.614 1.00 0.00 C ATOM 597 C ALA A 41 2.912 -2.857 4.029 1.00 0.00 C ATOM 598 O ALA A 41 1.787 -2.969 4.516 1.00 0.00 O ATOM 599 CB ALA A 41 3.372 -1.264 2.101 1.00 0.00 C ATOM 0 H ALA A 41 5.504 -1.249 3.307 1.00 0.00 H new ATOM 0 HA ALA A 41 2.815 -0.729 4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.339 -1.365 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.734 -0.264 1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.991 -2.005 1.595 1.00 0.00 H new ATOM 605 N LEU A 42 3.744 -3.867 3.822 1.00 0.00 N ATOM 606 CA LEU A 42 3.371 -5.228 4.169 1.00 0.00 C ATOM 607 C LEU A 42 3.228 -5.341 5.688 1.00 0.00 C ATOM 608 O LEU A 42 2.246 -5.892 6.184 1.00 0.00 O ATOM 609 CB LEU A 42 4.362 -6.225 3.568 1.00 0.00 C ATOM 610 CG LEU A 42 4.580 -6.126 2.056 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.731 -7.516 1.433 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.462 -5.319 1.393 1.00 0.00 C ATOM 0 H LEU A 42 4.676 -3.770 3.418 1.00 0.00 H new ATOM 0 HA LEU A 42 2.402 -5.479 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.324 -6.094 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.019 -7.233 3.800 1.00 0.00 H new ATOM 0 HG LEU A 42 5.512 -5.590 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.885 -7.418 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.588 -8.023 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.828 -8.098 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.641 -5.264 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.504 -5.805 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.444 -4.312 1.810 1.00 0.00 H new ATOM 623 N HIS A 43 4.223 -4.811 6.385 1.00 0.00 N ATOM 624 CA HIS A 43 4.221 -4.846 7.837 1.00 0.00 C ATOM 625 C HIS A 43 2.980 -4.125 8.367 1.00 0.00 C ATOM 626 O HIS A 43 2.478 -4.454 9.440 1.00 0.00 O ATOM 627 CB HIS A 43 5.524 -4.270 8.396 1.00 0.00 C ATOM 628 CG HIS A 43 6.017 -4.965 9.644 1.00 0.00 C ATOM 629 ND1 HIS A 43 5.261 -5.054 10.800 1.00 0.00 N ATOM 630 CD2 HIS A 43 7.195 -5.600 9.904 1.00 0.00 C ATOM 631 CE1 HIS A 43 5.962 -5.716 11.709 1.00 0.00 C ATOM 632 NE2 HIS A 43 7.161 -6.054 11.151 1.00 0.00 N ATOM 0 H HIS A 43 5.036 -4.355 5.970 1.00 0.00 H new ATOM 0 HA HIS A 43 4.172 -5.880 8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.296 -4.332 7.629 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.377 -3.212 8.615 1.00 0.00 H new ATOM 0 HD1 HIS A 43 4.323 -4.674 10.930 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.017 -5.714 9.213 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.641 -5.947 12.714 1.00 0.00 H new ATOM 639 N LEU A 44 2.521 -3.157 7.588 1.00 0.00 N ATOM 640 CA LEU A 44 1.347 -2.387 7.965 1.00 0.00 C ATOM 641 C LEU A 44 0.132 -3.314 8.024 1.00 0.00 C ATOM 642 O LEU A 44 -0.694 -3.205 8.929 1.00 0.00 O ATOM 643 CB LEU A 44 1.165 -1.193 7.026 1.00 0.00 C ATOM 644 CG LEU A 44 1.462 0.183 7.625 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.975 1.300 6.700 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.876 0.307 9.032 1.00 0.00 C ATOM 0 H LEU A 44 2.940 -2.888 6.698 1.00 0.00 H new ATOM 0 HA LEU A 44 1.473 -1.963 8.961 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.810 -1.337 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.137 -1.195 6.663 1.00 0.00 H new ATOM 0 HG LEU A 44 2.543 0.289 7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.198 2.268 7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.480 1.222 5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.101 1.208 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.102 1.295 9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.205 0.171 8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.313 -0.456 9.677 1.00 0.00 H new ATOM 657 N LEU A 45 0.060 -4.206 7.047 1.00 0.00 N ATOM 658 CA LEU A 45 -1.041 -5.152 6.976 1.00 0.00 C ATOM 659 C LEU A 45 -0.963 -6.109 8.167 1.00 0.00 C ATOM 660 O LEU A 45 -1.988 -6.581 8.657 1.00 0.00 O ATOM 661 CB LEU A 45 -1.054 -5.858 5.619 1.00 0.00 C ATOM 662 CG LEU A 45 -1.537 -5.022 4.432 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.451 -4.911 3.361 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.845 -5.578 3.866 1.00 0.00 C ATOM 0 H LEU A 45 0.746 -4.294 6.298 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.996 -4.631 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.044 -6.208 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.688 -6.741 5.697 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.743 -4.012 4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.821 -4.312 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.432 -4.435 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.190 -5.907 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.166 -4.966 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.690 -6.603 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.612 -5.562 4.640 1.00 0.00 H new ATOM 675 N LYS A 46 0.263 -6.366 8.599 1.00 0.00 N ATOM 676 CA LYS A 46 0.488 -7.259 9.723 1.00 0.00 C ATOM 677 C LYS A 46 0.351 -6.472 11.028 1.00 0.00 C ATOM 678 O LYS A 46 0.047 -7.045 12.074 1.00 0.00 O ATOM 679 CB LYS A 46 1.831 -7.977 9.577 1.00 0.00 C ATOM 680 CG LYS A 46 1.808 -9.333 10.285 1.00 0.00 C ATOM 681 CD LYS A 46 2.227 -10.456 9.334 1.00 0.00 C ATOM 682 CE LYS A 46 3.710 -10.345 8.974 1.00 0.00 C ATOM 683 NZ LYS A 46 4.429 -11.581 9.356 1.00 0.00 N ATOM 0 H LYS A 46 1.111 -5.972 8.191 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.267 -8.045 9.742 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.059 -8.118 8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.625 -7.358 9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.479 -9.310 11.144 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.807 -9.530 10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.033 -11.423 9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.625 -10.413 8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.819 -10.170 7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.151 -9.488 9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.434 -11.490 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.340 -11.731 10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.018 -12.392 8.850 1.00 0.00 H new ATOM 693 N ALA A 47 0.581 -5.172 10.925 1.00 0.00 N ATOM 694 CA ALA A 47 0.488 -4.301 12.085 1.00 0.00 C ATOM 695 C ALA A 47 -0.957 -3.824 12.243 1.00 0.00 C ATOM 696 O ALA A 47 -1.235 -2.922 13.032 1.00 0.00 O ATOM 697 CB ALA A 47 1.472 -3.139 11.933 1.00 0.00 C ATOM 0 H ALA A 47 0.832 -4.700 10.056 1.00 0.00 H new ATOM 0 HA ALA A 47 0.759 -4.840 12.992 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.402 -2.486 12.803 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.487 -3.529 11.853 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.230 -2.572 11.034 1.00 0.00 H new ATOM 703 N GLY A 48 -1.841 -4.450 11.479 1.00 0.00 N ATOM 704 CA GLY A 48 -3.251 -4.101 11.524 1.00 0.00 C ATOM 705 C GLY A 48 -3.516 -2.794 10.775 1.00 0.00 C ATOM 706 O GLY A 48 -3.400 -1.711 11.347 1.00 0.00 O ATOM 0 H GLY A 48 -1.608 -5.197 10.825 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.842 -4.903 11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.572 -4.002 12.561 1.00 0.00 H new ATOM 710 N CYS A 49 -3.867 -2.937 9.506 1.00 0.00 N ATOM 711 CA CYS A 49 -4.150 -1.781 8.671 1.00 0.00 C ATOM 712 C CYS A 49 -5.666 -1.584 8.623 1.00 0.00 C ATOM 713 O CYS A 49 -6.407 -2.511 8.302 1.00 0.00 O ATOM 714 CB CYS A 49 -3.550 -1.933 7.272 1.00 0.00 C ATOM 715 SG CYS A 49 -4.536 -3.122 6.293 1.00 0.00 S ATOM 0 H CYS A 49 -3.962 -3.837 9.035 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.682 -0.895 9.101 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.528 -0.966 6.770 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.518 -2.277 7.345 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.706 -3.269 6.840 1.00 0.00 H new ATOM 720 N SER A 50 -6.083 -0.368 8.948 1.00 0.00 N ATOM 721 CA SER A 50 -7.498 -0.036 8.945 1.00 0.00 C ATOM 722 C SER A 50 -8.107 -0.357 7.579 1.00 0.00 C ATOM 723 O SER A 50 -7.386 -0.550 6.602 1.00 0.00 O ATOM 724 CB SER A 50 -7.718 1.437 9.292 1.00 0.00 C ATOM 725 OG SER A 50 -8.001 1.622 10.676 1.00 0.00 O ATOM 0 H SER A 50 -5.466 0.399 9.215 1.00 0.00 H new ATOM 0 HA SER A 50 -7.993 -0.638 9.707 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.830 2.009 9.024 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.542 1.830 8.697 1.00 0.00 H new ATOM 0 HG SER A 50 -8.134 2.576 10.858 1.00 0.00 H new ATOM 730 N PRO A 51 -9.467 -0.405 7.554 1.00 0.00 N ATOM 731 CA PRO A 51 -10.182 -0.699 6.323 1.00 0.00 C ATOM 732 C PRO A 51 -10.172 0.507 5.382 1.00 0.00 C ATOM 733 O PRO A 51 -10.446 0.371 4.190 1.00 0.00 O ATOM 734 CB PRO A 51 -11.582 -1.095 6.767 1.00 0.00 C ATOM 735 CG PRO A 51 -11.735 -0.563 8.182 1.00 0.00 C ATOM 736 CD PRO A 51 -10.354 -0.181 8.690 1.00 0.00 C ATOM 0 HA PRO A 51 -9.719 -1.501 5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.337 -0.669 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.709 -2.177 6.741 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.399 0.302 8.195 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.183 -1.319 8.827 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.325 0.859 9.016 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.064 -0.791 9.545 1.00 0.00 H new ATOM 741 N ALA A 52 -9.855 1.660 5.952 1.00 0.00 N ATOM 742 CA ALA A 52 -9.806 2.889 5.179 1.00 0.00 C ATOM 743 C ALA A 52 -8.604 2.844 4.234 1.00 0.00 C ATOM 744 O ALA A 52 -8.685 3.308 3.097 1.00 0.00 O ATOM 745 CB ALA A 52 -9.758 4.088 6.128 1.00 0.00 C ATOM 0 H ALA A 52 -9.629 1.769 6.941 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.702 2.994 4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.721 5.010 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.648 4.090 6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.870 4.019 6.757 1.00 0.00 H new ATOM 751 N VAL A 53 -7.515 2.283 4.739 1.00 0.00 N ATOM 752 CA VAL A 53 -6.297 2.172 3.954 1.00 0.00 C ATOM 753 C VAL A 53 -6.453 1.040 2.938 1.00 0.00 C ATOM 754 O VAL A 53 -5.937 1.125 1.824 1.00 0.00 O ATOM 755 CB VAL A 53 -5.094 1.983 4.880 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.795 2.385 4.179 1.00 0.00 C ATOM 757 CG2 VAL A 53 -5.277 2.762 6.184 1.00 0.00 C ATOM 0 H VAL A 53 -7.451 1.900 5.682 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.118 3.090 3.394 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.027 0.924 5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.955 2.241 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.654 1.767 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.849 3.433 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.408 2.610 6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.383 3.824 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.171 2.408 6.697 1.00 0.00 H new ATOM 767 N GLN A 54 -7.166 0.005 3.356 1.00 0.00 N ATOM 768 CA GLN A 54 -7.396 -1.143 2.495 1.00 0.00 C ATOM 769 C GLN A 54 -8.124 -0.713 1.221 1.00 0.00 C ATOM 770 O GLN A 54 -7.845 -1.227 0.139 1.00 0.00 O ATOM 771 CB GLN A 54 -8.176 -2.234 3.232 1.00 0.00 C ATOM 772 CG GLN A 54 -7.315 -2.887 4.315 1.00 0.00 C ATOM 773 CD GLN A 54 -7.801 -4.307 4.618 1.00 0.00 C ATOM 774 OE1 GLN A 54 -7.418 -5.271 3.976 1.00 0.00 O ATOM 775 NE2 GLN A 54 -8.661 -4.380 5.629 1.00 0.00 N ATOM 0 H GLN A 54 -7.592 -0.063 4.280 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.430 -1.561 2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.071 -1.805 3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.509 -2.991 2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.275 -2.916 3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.348 -2.285 5.223 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.939 -3.533 6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.042 -5.283 5.910 1.00 0.00 H new ATOM 782 N MET A 55 -9.046 0.224 1.391 1.00 0.00 N ATOM 783 CA MET A 55 -9.817 0.728 0.268 1.00 0.00 C ATOM 784 C MET A 55 -8.954 1.608 -0.639 1.00 0.00 C ATOM 785 O MET A 55 -9.125 1.606 -1.857 1.00 0.00 O ATOM 786 CB MET A 55 -11.004 1.542 0.788 1.00 0.00 C ATOM 787 CG MET A 55 -11.913 0.683 1.669 1.00 0.00 C ATOM 788 SD MET A 55 -13.234 -0.011 0.690 1.00 0.00 S ATOM 789 CE MET A 55 -14.630 0.841 1.405 1.00 0.00 C ATOM 0 H MET A 55 -9.276 0.647 2.290 1.00 0.00 H new ATOM 0 HA MET A 55 -10.174 -0.122 -0.314 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.641 2.397 1.358 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.574 1.938 -0.052 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.334 -0.116 2.132 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.327 1.287 2.477 1.00 0.00 H new ATOM 0 HE1 MET A 55 -15.545 0.523 0.906 1.00 0.00 H new ATOM 0 HE2 MET A 55 -14.695 0.605 2.467 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.503 1.916 1.279 1.00 0.00 H new ATOM 797 N LYS A 56 -8.044 2.337 -0.010 1.00 0.00 N ATOM 798 CA LYS A 56 -7.153 3.219 -0.747 1.00 0.00 C ATOM 799 C LYS A 56 -6.296 2.389 -1.704 1.00 0.00 C ATOM 800 O LYS A 56 -5.882 2.877 -2.753 1.00 0.00 O ATOM 801 CB LYS A 56 -6.337 4.083 0.219 1.00 0.00 C ATOM 802 CG LYS A 56 -5.826 5.346 -0.475 1.00 0.00 C ATOM 803 CD LYS A 56 -6.961 6.348 -0.697 1.00 0.00 C ATOM 804 CE LYS A 56 -6.777 7.589 0.179 1.00 0.00 C ATOM 805 NZ LYS A 56 -8.077 8.032 0.730 1.00 0.00 N ATOM 0 H LYS A 56 -7.904 2.336 1.000 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.726 3.917 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.953 4.358 1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.494 3.508 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.044 5.806 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.376 5.082 -1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.992 6.641 -1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.917 5.876 -0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.087 7.368 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.331 8.392 -0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.934 8.875 1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.724 8.263 -0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.488 7.270 1.306 1.00 0.00 H new ATOM 815 N ILE A 57 -6.058 1.148 -1.307 1.00 0.00 N ATOM 816 CA ILE A 57 -5.257 0.244 -2.117 1.00 0.00 C ATOM 817 C ILE A 57 -6.021 -0.095 -3.400 1.00 0.00 C ATOM 818 O ILE A 57 -5.426 -0.189 -4.473 1.00 0.00 O ATOM 819 CB ILE A 57 -4.846 -0.984 -1.303 1.00 0.00 C ATOM 820 CG1 ILE A 57 -3.995 -0.583 -0.096 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.140 -2.015 -2.185 1.00 0.00 C ATOM 822 CD1 ILE A 57 -3.771 -1.774 0.837 1.00 0.00 C ATOM 0 H ILE A 57 -6.405 0.747 -0.436 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.326 0.724 -2.417 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.750 -1.456 -0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.034 -0.197 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.487 0.223 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.858 -2.878 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.812 -2.333 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.246 -1.570 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.163 -1.462 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.733 -2.142 1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.257 -2.568 0.296 1.00 0.00 H new ATOM 833 N LYS A 58 -7.324 -0.269 -3.246 1.00 0.00 N ATOM 834 CA LYS A 58 -8.174 -0.596 -4.379 1.00 0.00 C ATOM 835 C LYS A 58 -8.283 0.623 -5.297 1.00 0.00 C ATOM 836 O LYS A 58 -8.322 0.482 -6.519 1.00 0.00 O ATOM 837 CB LYS A 58 -9.527 -1.126 -3.898 1.00 0.00 C ATOM 838 CG LYS A 58 -9.350 -2.379 -3.038 1.00 0.00 C ATOM 839 CD LYS A 58 -10.702 -2.904 -2.549 1.00 0.00 C ATOM 840 CE LYS A 58 -11.156 -4.107 -3.378 1.00 0.00 C ATOM 841 NZ LYS A 58 -11.978 -5.023 -2.556 1.00 0.00 N ATOM 0 H LYS A 58 -7.813 -0.190 -2.354 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.733 -1.401 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.040 -0.355 -3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.158 -1.356 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.843 -3.152 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.714 -2.151 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.627 -3.189 -1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.448 -2.112 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.731 -3.766 -4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.287 -4.638 -3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.278 -5.834 -3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.417 -5.362 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.817 -4.518 -2.207 1.00 0.00 H new ATOM 851 N GLU A 59 -8.328 1.791 -4.674 1.00 0.00 N ATOM 852 CA GLU A 59 -8.431 3.033 -5.422 1.00 0.00 C ATOM 853 C GLU A 59 -7.113 3.334 -6.137 1.00 0.00 C ATOM 854 O GLU A 59 -7.103 3.623 -7.333 1.00 0.00 O ATOM 855 CB GLU A 59 -8.834 4.191 -4.506 1.00 0.00 C ATOM 856 CG GLU A 59 -10.034 3.811 -3.635 1.00 0.00 C ATOM 857 CD GLU A 59 -11.212 4.754 -3.883 1.00 0.00 C ATOM 858 OE1 GLU A 59 -11.700 4.763 -5.033 1.00 0.00 O ATOM 859 OE2 GLU A 59 -11.599 5.445 -2.916 1.00 0.00 O ATOM 0 H GLU A 59 -8.295 1.904 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.211 2.918 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.992 4.467 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.080 5.066 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.333 2.785 -3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.750 3.847 -2.583 1.00 0.00 H new ATOM 864 N LEU A 60 -6.032 3.255 -5.375 1.00 0.00 N ATOM 865 CA LEU A 60 -4.711 3.515 -5.923 1.00 0.00 C ATOM 866 C LEU A 60 -4.444 2.551 -7.079 1.00 0.00 C ATOM 867 O LEU A 60 -3.962 2.959 -8.134 1.00 0.00 O ATOM 868 CB LEU A 60 -3.653 3.459 -4.817 1.00 0.00 C ATOM 869 CG LEU A 60 -3.784 4.506 -3.709 1.00 0.00 C ATOM 870 CD1 LEU A 60 -3.171 4.001 -2.403 1.00 0.00 C ATOM 871 CD2 LEU A 60 -3.182 5.844 -4.146 1.00 0.00 C ATOM 0 H LEU A 60 -6.043 3.015 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.659 4.524 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.686 2.470 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.670 3.566 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.844 4.676 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.277 4.764 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.684 3.093 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.114 3.786 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.288 6.571 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.125 5.709 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.704 6.206 -5.032 1.00 0.00 H new ATOM 882 N TYR A 61 -4.769 1.288 -6.842 1.00 0.00 N ATOM 883 CA TYR A 61 -4.570 0.262 -7.851 1.00 0.00 C ATOM 884 C TYR A 61 -5.527 0.459 -9.029 1.00 0.00 C ATOM 885 O TYR A 61 -5.173 0.182 -10.174 1.00 0.00 O ATOM 886 CB TYR A 61 -4.888 -1.069 -7.167 1.00 0.00 C ATOM 887 CG TYR A 61 -4.572 -2.299 -8.022 1.00 0.00 C ATOM 888 CD1 TYR A 61 -3.318 -2.872 -7.969 1.00 0.00 C ATOM 889 CD2 TYR A 61 -5.542 -2.835 -8.845 1.00 0.00 C ATOM 890 CE1 TYR A 61 -3.021 -4.029 -8.773 1.00 0.00 C ATOM 891 CE2 TYR A 61 -5.244 -3.992 -9.648 1.00 0.00 C ATOM 892 CZ TYR A 61 -3.999 -4.532 -9.572 1.00 0.00 C ATOM 893 OH TYR A 61 -3.718 -5.625 -10.331 1.00 0.00 O ATOM 0 H TYR A 61 -5.169 0.952 -5.966 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.553 0.299 -8.241 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.324 -1.131 -6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.945 -1.086 -6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.559 -2.453 -7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.524 -2.387 -8.886 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.043 -4.487 -8.742 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.993 -4.421 -10.297 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.510 -5.875 -10.851 1.00 0.00 H new ATOM 902 N ARG A 62 -6.720 0.936 -8.707 1.00 0.00 N ATOM 903 CA ARG A 62 -7.730 1.173 -9.725 1.00 0.00 C ATOM 904 C ARG A 62 -7.324 2.352 -10.611 1.00 0.00 C ATOM 905 O ARG A 62 -7.318 2.239 -11.836 1.00 0.00 O ATOM 906 CB ARG A 62 -9.092 1.465 -9.091 1.00 0.00 C ATOM 907 CG ARG A 62 -9.922 0.187 -8.961 1.00 0.00 C ATOM 908 CD ARG A 62 -11.362 0.419 -9.423 1.00 0.00 C ATOM 909 NE ARG A 62 -11.430 0.401 -10.901 1.00 0.00 N ATOM 910 CZ ARG A 62 -12.518 0.736 -11.608 1.00 0.00 C ATOM 911 NH1 ARG A 62 -13.637 1.116 -10.976 1.00 0.00 N ATOM 912 NH2 ARG A 62 -12.487 0.690 -12.946 1.00 0.00 N ATOM 0 H ARG A 62 -7.010 1.165 -7.756 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.810 0.270 -10.330 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.951 1.913 -8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.631 2.193 -9.698 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.469 -0.607 -9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.919 -0.149 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.013 -0.352 -9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.724 1.376 -9.046 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.596 0.116 -11.414 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.661 1.150 -9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.465 1.371 -11.514 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.635 0.400 -13.427 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.315 0.945 -13.484 1.00 0.00 H new ATOM 923 N ARG A 63 -6.994 3.456 -9.958 1.00 0.00 N ATOM 924 CA ARG A 63 -6.588 4.655 -10.672 1.00 0.00 C ATOM 925 C ARG A 63 -5.530 4.313 -11.723 1.00 0.00 C ATOM 926 O ARG A 63 -5.425 4.990 -12.745 1.00 0.00 O ATOM 927 CB ARG A 63 -6.023 5.702 -9.711 1.00 0.00 C ATOM 928 CG ARG A 63 -7.147 6.437 -8.978 1.00 0.00 C ATOM 929 CD ARG A 63 -6.587 7.331 -7.870 1.00 0.00 C ATOM 930 NE ARG A 63 -5.998 8.556 -8.456 1.00 0.00 N ATOM 931 CZ ARG A 63 -5.220 9.413 -7.783 1.00 0.00 C ATOM 932 NH1 ARG A 63 -4.931 9.185 -6.495 1.00 0.00 N ATOM 933 NH2 ARG A 63 -4.730 10.499 -8.398 1.00 0.00 N ATOM 0 H ARG A 63 -6.999 3.546 -8.942 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.471 5.066 -11.161 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.367 5.219 -8.987 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.416 6.418 -10.264 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.713 7.042 -9.686 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.841 5.713 -8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.380 7.597 -7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.830 6.790 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.198 8.760 -9.435 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.304 8.359 -6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.338 9.838 -5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.950 10.672 -9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.137 11.152 -7.885 1.00 0.00 H new ATOM 944 N ARG A 64 -4.773 3.264 -11.436 1.00 0.00 N ATOM 945 CA ARG A 64 -3.728 2.825 -12.344 1.00 0.00 C ATOM 946 C ARG A 64 -4.331 2.405 -13.686 1.00 0.00 C ATOM 947 O ARG A 64 -3.658 2.448 -14.715 1.00 0.00 O ATOM 948 CB ARG A 64 -2.945 1.650 -11.755 1.00 0.00 C ATOM 949 CG ARG A 64 -2.317 2.027 -10.413 1.00 0.00 C ATOM 950 CD ARG A 64 -0.910 1.440 -10.281 1.00 0.00 C ATOM 951 NE ARG A 64 -0.958 -0.030 -10.440 1.00 0.00 N ATOM 952 CZ ARG A 64 -0.675 -0.673 -11.581 1.00 0.00 C ATOM 953 NH1 ARG A 64 -0.320 0.022 -12.670 1.00 0.00 N ATOM 954 NH2 ARG A 64 -0.744 -2.010 -11.632 1.00 0.00 N ATOM 0 H ARG A 64 -4.863 2.706 -10.587 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.047 3.663 -12.495 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.609 0.796 -11.622 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.165 1.342 -12.452 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.272 3.112 -10.321 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.944 1.663 -9.599 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.254 1.874 -11.035 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.490 1.695 -9.308 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.223 -0.590 -9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.265 1.040 -12.630 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.104 -0.467 -13.539 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.012 -2.539 -10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.529 -2.499 -12.501 1.00 0.00 H new ATOM 965 N PHE A 65 -5.595 2.010 -13.633 1.00 0.00 N ATOM 966 CA PHE A 65 -6.298 1.584 -14.831 1.00 0.00 C ATOM 967 C PHE A 65 -6.444 2.741 -15.822 1.00 0.00 C ATOM 968 O PHE A 65 -7.170 2.630 -16.809 1.00 0.00 O ATOM 969 CB PHE A 65 -7.689 1.124 -14.394 1.00 0.00 C ATOM 970 CG PHE A 65 -8.721 2.250 -14.314 1.00 0.00 C ATOM 971 CD1 PHE A 65 -8.357 3.473 -13.844 1.00 0.00 C ATOM 972 CD2 PHE A 65 -10.002 2.030 -14.714 1.00 0.00 C ATOM 973 CE1 PHE A 65 -9.315 4.519 -13.769 1.00 0.00 C ATOM 974 CE2 PHE A 65 -10.959 3.075 -14.640 1.00 0.00 C ATOM 975 CZ PHE A 65 -10.596 4.298 -14.170 1.00 0.00 C ATOM 0 H PHE A 65 -6.151 1.976 -12.778 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.742 0.786 -15.324 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.046 0.367 -15.092 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.612 0.646 -13.418 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.339 3.649 -13.528 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.291 1.059 -15.088 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.026 5.490 -13.394 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.976 2.899 -14.957 1.00 0.00 H new ATOM 0 HZ PHE A 65 -11.324 5.094 -14.115 1.00 0.00 H new