USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 ASN :FLIP amide:sc= -5.1! C(o=-19!,f=-10!) USER MOD Set 1.2: A 19 GLN :FLIP amide:sc= -4.91! C(o=-18!,f=-10!) USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.614) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.383 USER MOD Single : A 21 LYS NZ :NH3+ -148:sc= -3.7! (180deg=-6.22!) USER MOD Single : A 25 TYR OH : rot 150:sc= -1.22! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= -0.128 (180deg=-0.128) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.482 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.24) USER MOD Single : A 40 TYR OH : rot -54:sc= 0.0368 USER MOD Single : A 41 SER OG : rot 120:sc= -0.135 USER MOD Single : A 43 LYS NZ :NH3+ 140:sc= 0.642 (180deg=-1.01!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 54 LYS NZ :NH3+ -136:sc= -4.53! (180deg=-6.63!) USER MOD Single : A 59 SER OG : rot -130:sc= -0.588 USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0926) USER MOD Single : A 68 GLN : amide:sc= -0.482 K(o=-0.48,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 12.828 -3.978 11.222 1.00 0.00 N ATOM 63 CA ARG A 6 12.498 -2.979 12.288 1.00 0.00 C ATOM 64 C ARG A 6 11.817 -1.764 11.653 1.00 0.00 C ATOM 65 O ARG A 6 11.817 -1.600 10.449 1.00 0.00 O ATOM 66 CB ARG A 6 13.794 -2.537 12.984 1.00 0.00 C ATOM 67 CG ARG A 6 14.536 -3.771 13.576 1.00 0.00 C ATOM 68 CD ARG A 6 14.956 -3.500 15.027 1.00 0.00 C ATOM 69 NE ARG A 6 15.912 -4.551 15.473 1.00 0.00 N ATOM 70 CZ ARG A 6 16.629 -4.369 16.550 1.00 0.00 C ATOM 71 NH1 ARG A 6 16.512 -3.264 17.234 1.00 0.00 N ATOM 72 NH2 ARG A 6 17.462 -5.293 16.943 1.00 0.00 N ATOM 0 HA ARG A 6 11.826 -3.429 13.019 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.440 -2.022 12.273 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.565 -1.826 13.778 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.888 -4.646 13.536 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.415 -3.998 12.973 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.419 -2.516 15.105 1.00 0.00 H new ATOM 0 HD3 ARG A 6 14.080 -3.492 15.675 1.00 0.00 H new ATOM 0 HE ARG A 6 16.007 -5.414 14.937 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.860 -2.541 16.928 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.072 -3.123 18.075 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.554 -6.157 16.409 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.022 -5.151 17.784 1.00 0.00 H new ATOM 86 N ASP A 7 11.233 -0.912 12.452 1.00 0.00 N ATOM 87 CA ASP A 7 10.547 0.290 11.894 1.00 0.00 C ATOM 88 C ASP A 7 11.571 1.396 11.637 1.00 0.00 C ATOM 89 O ASP A 7 12.764 1.186 11.729 1.00 0.00 O ATOM 90 CB ASP A 7 9.497 0.787 12.889 1.00 0.00 C ATOM 91 CG ASP A 7 10.172 1.123 14.219 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.161 0.482 14.538 1.00 0.00 O ATOM 93 OD2 ASP A 7 9.689 2.014 14.898 1.00 0.00 O ATOM 0 H ASP A 7 11.201 -0.996 13.468 1.00 0.00 H new ATOM 0 HA ASP A 7 10.061 0.024 10.955 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.993 1.668 12.492 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.733 0.024 13.039 1.00 0.00 H new ATOM 98 N ASN A 8 11.113 2.574 11.311 1.00 0.00 N ATOM 99 CA ASN A 8 12.060 3.694 11.042 1.00 0.00 C ATOM 100 C ASN A 8 12.840 4.032 12.314 1.00 0.00 C ATOM 101 O ASN A 8 13.789 4.789 12.285 1.00 0.00 O ATOM 102 CB ASN A 8 11.282 4.928 10.583 1.00 0.00 C ATOM 103 CG ASN A 8 10.320 4.539 9.462 1.00 0.00 C ATOM 104 OD1 ASN A 8 10.795 4.287 8.276 1.00 0.00 O flip ATOM 105 ND2 ASN A 8 9.125 4.463 9.669 1.00 0.00 N flip ATOM 0 H ASN A 8 10.125 2.809 11.219 1.00 0.00 H new ATOM 0 HA ASN A 8 12.756 3.390 10.260 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.728 5.353 11.420 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.972 5.696 10.234 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.755 4.661 10.599 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.492 4.201 8.913 1.00 0.00 H new ATOM 112 N ARG A 9 12.444 3.479 13.434 1.00 0.00 N ATOM 113 CA ARG A 9 13.156 3.767 14.721 1.00 0.00 C ATOM 114 C ARG A 9 14.030 2.568 15.100 1.00 0.00 C ATOM 115 O ARG A 9 15.136 2.421 14.622 1.00 0.00 O ATOM 116 CB ARG A 9 12.124 4.015 15.824 1.00 0.00 C ATOM 117 CG ARG A 9 11.270 5.240 15.471 1.00 0.00 C ATOM 118 CD ARG A 9 12.140 6.505 15.425 1.00 0.00 C ATOM 119 NE ARG A 9 11.295 7.692 15.738 1.00 0.00 N ATOM 120 CZ ARG A 9 11.855 8.833 16.038 1.00 0.00 C ATOM 121 NH1 ARG A 9 13.156 8.937 16.059 1.00 0.00 N ATOM 122 NH2 ARG A 9 11.113 9.868 16.319 1.00 0.00 N ATOM 0 H ARG A 9 11.655 2.838 13.514 1.00 0.00 H new ATOM 0 HA ARG A 9 13.784 4.650 14.602 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.487 3.138 15.943 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.628 4.174 16.777 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.787 5.088 14.506 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.477 5.363 16.209 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.957 6.426 16.143 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.592 6.615 14.439 1.00 0.00 H new ATOM 0 HE ARG A 9 10.278 7.613 15.718 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.736 8.127 15.841 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.593 9.829 16.293 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.096 9.786 16.304 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.549 10.760 16.553 1.00 0.00 H new ATOM 136 N GLY A 10 13.544 1.712 15.958 1.00 0.00 N ATOM 137 CA GLY A 10 14.354 0.528 16.365 1.00 0.00 C ATOM 138 C GLY A 10 13.432 -0.559 16.918 1.00 0.00 C ATOM 139 O GLY A 10 13.872 -1.498 17.550 1.00 0.00 O ATOM 0 H GLY A 10 12.624 1.781 16.393 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.912 0.145 15.510 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.085 0.817 17.120 1.00 0.00 H new ATOM 143 N ARG A 11 12.154 -0.441 16.682 1.00 0.00 N ATOM 144 CA ARG A 11 11.201 -1.468 17.189 1.00 0.00 C ATOM 145 C ARG A 11 11.180 -2.647 16.214 1.00 0.00 C ATOM 146 O ARG A 11 11.926 -2.676 15.257 1.00 0.00 O ATOM 147 CB ARG A 11 9.804 -0.847 17.298 1.00 0.00 C ATOM 148 CG ARG A 11 9.714 -0.020 18.585 1.00 0.00 C ATOM 149 CD ARG A 11 8.332 0.628 18.695 1.00 0.00 C ATOM 150 NE ARG A 11 7.951 1.213 17.379 1.00 0.00 N ATOM 151 CZ ARG A 11 6.721 1.586 17.163 1.00 0.00 C ATOM 152 NH1 ARG A 11 5.825 1.457 18.104 1.00 0.00 N ATOM 153 NH2 ARG A 11 6.385 2.090 16.007 1.00 0.00 N ATOM 0 H ARG A 11 11.728 0.324 16.159 1.00 0.00 H new ATOM 0 HA ARG A 11 11.511 -1.820 18.173 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.606 -0.215 16.432 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.045 -1.630 17.302 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.896 -0.658 19.450 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.487 0.749 18.588 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.595 -0.113 19.003 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.342 1.404 19.461 1.00 0.00 H new ATOM 0 HE ARG A 11 8.653 1.322 16.647 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.088 1.064 19.008 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.862 1.749 17.935 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.085 2.192 15.272 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.422 2.382 15.838 1.00 0.00 H new ATOM 167 N ILE A 12 10.338 -3.624 16.454 1.00 0.00 N ATOM 168 CA ILE A 12 10.274 -4.818 15.547 1.00 0.00 C ATOM 169 C ILE A 12 8.886 -4.915 14.907 1.00 0.00 C ATOM 170 O ILE A 12 7.889 -5.074 15.583 1.00 0.00 O ATOM 171 CB ILE A 12 10.529 -6.093 16.360 1.00 0.00 C ATOM 172 CG1 ILE A 12 11.899 -6.002 17.078 1.00 0.00 C ATOM 173 CG2 ILE A 12 10.494 -7.308 15.425 1.00 0.00 C ATOM 174 CD1 ILE A 12 13.054 -6.397 16.141 1.00 0.00 C ATOM 0 H ILE A 12 9.690 -3.647 17.241 1.00 0.00 H new ATOM 0 HA ILE A 12 11.030 -4.710 14.770 1.00 0.00 H new ATOM 0 HB ILE A 12 9.752 -6.202 17.116 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.054 -4.986 17.440 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.898 -6.655 17.951 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.675 -8.216 16.001 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.517 -7.371 14.946 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.265 -7.202 14.662 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.000 -6.322 16.678 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.911 -7.422 15.800 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.070 -5.727 15.281 1.00 0.00 H new ATOM 186 N LEU A 13 8.819 -4.837 13.603 1.00 0.00 N ATOM 187 CA LEU A 13 7.504 -4.941 12.907 1.00 0.00 C ATOM 188 C LEU A 13 7.223 -6.419 12.612 1.00 0.00 C ATOM 189 O LEU A 13 8.117 -7.173 12.283 1.00 0.00 O ATOM 190 CB LEU A 13 7.562 -4.156 11.584 1.00 0.00 C ATOM 191 CG LEU A 13 7.319 -2.652 11.843 1.00 0.00 C ATOM 192 CD1 LEU A 13 7.997 -1.821 10.748 1.00 0.00 C ATOM 193 CD2 LEU A 13 5.814 -2.351 11.827 1.00 0.00 C ATOM 0 H LEU A 13 9.623 -4.705 12.989 1.00 0.00 H new ATOM 0 HA LEU A 13 6.714 -4.529 13.535 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.534 -4.298 11.111 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.812 -4.539 10.893 1.00 0.00 H new ATOM 0 HG LEU A 13 7.735 -2.395 12.817 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.823 -0.761 10.935 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.069 -2.019 10.752 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.582 -2.091 9.777 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.653 -1.289 12.010 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.400 -2.618 10.855 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.318 -2.932 12.604 1.00 0.00 H new ATOM 205 N LYS A 14 5.992 -6.842 12.723 1.00 0.00 N ATOM 206 CA LYS A 14 5.667 -8.273 12.443 1.00 0.00 C ATOM 207 C LYS A 14 5.342 -8.429 10.954 1.00 0.00 C ATOM 208 O LYS A 14 5.047 -7.466 10.273 1.00 0.00 O ATOM 209 CB LYS A 14 4.451 -8.691 13.286 1.00 0.00 C ATOM 210 CG LYS A 14 4.892 -9.009 14.728 1.00 0.00 C ATOM 211 CD LYS A 14 5.350 -10.475 14.834 1.00 0.00 C ATOM 212 CE LYS A 14 6.289 -10.640 16.033 1.00 0.00 C ATOM 213 NZ LYS A 14 5.735 -9.899 17.201 1.00 0.00 N ATOM 0 H LYS A 14 5.199 -6.261 12.995 1.00 0.00 H new ATOM 0 HA LYS A 14 6.517 -8.905 12.699 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.710 -7.891 13.292 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.974 -9.565 12.842 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.704 -8.345 15.022 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.067 -8.828 15.417 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.485 -11.129 14.945 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.859 -10.774 13.918 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.401 -11.696 16.278 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.281 -10.263 15.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.144 -10.278 18.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.972 -8.890 17.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.701 -10.011 17.224 1.00 0.00 H new ATOM 227 N THR A 15 5.392 -9.630 10.437 1.00 0.00 N ATOM 228 CA THR A 15 5.084 -9.830 8.990 1.00 0.00 C ATOM 229 C THR A 15 3.791 -9.091 8.642 1.00 0.00 C ATOM 230 O THR A 15 3.006 -8.752 9.507 1.00 0.00 O ATOM 231 CB THR A 15 4.913 -11.326 8.698 1.00 0.00 C ATOM 232 OG1 THR A 15 6.167 -11.979 8.838 1.00 0.00 O ATOM 233 CG2 THR A 15 4.390 -11.523 7.270 1.00 0.00 C ATOM 0 H THR A 15 5.632 -10.477 10.952 1.00 0.00 H new ATOM 0 HA THR A 15 5.904 -9.439 8.388 1.00 0.00 H new ATOM 0 HB THR A 15 4.197 -11.750 9.402 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.060 -12.936 8.654 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.271 -12.588 7.070 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.427 -11.024 7.163 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.100 -11.098 6.561 1.00 0.00 H new ATOM 241 N GLY A 16 3.561 -8.835 7.385 1.00 0.00 N ATOM 242 CA GLY A 16 2.319 -8.117 6.992 1.00 0.00 C ATOM 243 C GLY A 16 2.482 -6.625 7.289 1.00 0.00 C ATOM 244 O GLY A 16 1.999 -5.782 6.560 1.00 0.00 O ATOM 0 H GLY A 16 4.178 -9.092 6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.118 -8.269 5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.465 -8.517 7.539 1.00 0.00 H new ATOM 248 N GLU A 17 3.151 -6.293 8.364 1.00 0.00 N ATOM 249 CA GLU A 17 3.338 -4.853 8.729 1.00 0.00 C ATOM 250 C GLU A 17 4.622 -4.305 8.101 1.00 0.00 C ATOM 251 O GLU A 17 5.598 -5.009 7.934 1.00 0.00 O ATOM 252 CB GLU A 17 3.431 -4.728 10.252 1.00 0.00 C ATOM 253 CG GLU A 17 2.180 -5.331 10.893 1.00 0.00 C ATOM 254 CD GLU A 17 2.260 -5.173 12.413 1.00 0.00 C ATOM 255 OE1 GLU A 17 3.275 -4.688 12.885 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.305 -5.540 13.078 1.00 0.00 O ATOM 0 H GLU A 17 3.578 -6.959 9.008 1.00 0.00 H new ATOM 0 HA GLU A 17 2.489 -4.281 8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.321 -5.241 10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.528 -3.680 10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.288 -4.835 10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.096 -6.385 10.630 1.00 0.00 H new ATOM 263 N SER A 18 4.623 -3.043 7.760 1.00 0.00 N ATOM 264 CA SER A 18 5.835 -2.425 7.150 1.00 0.00 C ATOM 265 C SER A 18 5.680 -0.902 7.161 1.00 0.00 C ATOM 266 O SER A 18 4.971 -0.353 7.980 1.00 0.00 O ATOM 267 CB SER A 18 5.992 -2.914 5.714 1.00 0.00 C ATOM 268 OG SER A 18 7.225 -2.437 5.196 1.00 0.00 O ATOM 0 H SER A 18 3.831 -2.411 7.879 1.00 0.00 H new ATOM 0 HA SER A 18 6.719 -2.708 7.722 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.966 -4.003 5.682 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.163 -2.558 5.102 1.00 0.00 H new ATOM 0 HG SER A 18 7.335 -2.748 4.273 1.00 0.00 H new ATOM 274 N GLN A 19 6.332 -0.207 6.259 1.00 0.00 N ATOM 275 CA GLN A 19 6.208 1.286 6.229 1.00 0.00 C ATOM 276 C GLN A 19 6.238 1.791 4.786 1.00 0.00 C ATOM 277 O GLN A 19 7.058 1.385 3.986 1.00 0.00 O ATOM 278 CB GLN A 19 7.358 1.916 7.020 1.00 0.00 C ATOM 279 CG GLN A 19 8.686 1.315 6.566 1.00 0.00 C ATOM 280 CD GLN A 19 9.824 1.903 7.403 1.00 0.00 C ATOM 281 OE1 GLN A 19 9.654 2.069 8.686 1.00 0.00 O flip ATOM 282 NE2 GLN A 19 10.878 2.215 6.884 1.00 0.00 N flip ATOM 0 H GLN A 19 6.942 -0.606 5.546 1.00 0.00 H new ATOM 0 HA GLN A 19 5.258 1.570 6.682 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.366 2.996 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.216 1.743 8.087 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.663 0.231 6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.851 1.526 5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.011 2.085 5.881 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.630 2.607 7.451 1.00 0.00 H new ATOM 291 N ARG A 20 5.341 2.682 4.455 1.00 0.00 N ATOM 292 CA ARG A 20 5.289 3.235 3.072 1.00 0.00 C ATOM 293 C ARG A 20 6.297 4.383 2.949 1.00 0.00 C ATOM 294 O ARG A 20 6.649 5.018 3.922 1.00 0.00 O ATOM 295 CB ARG A 20 3.871 3.762 2.803 1.00 0.00 C ATOM 296 CG ARG A 20 3.665 4.039 1.302 1.00 0.00 C ATOM 297 CD ARG A 20 3.312 2.741 0.549 1.00 0.00 C ATOM 298 NE ARG A 20 3.990 2.739 -0.786 1.00 0.00 N ATOM 299 CZ ARG A 20 3.929 3.779 -1.576 1.00 0.00 C ATOM 300 NH1 ARG A 20 3.142 4.781 -1.294 1.00 0.00 N ATOM 301 NH2 ARG A 20 4.622 3.795 -2.681 1.00 0.00 N ATOM 0 H ARG A 20 4.635 3.053 5.091 1.00 0.00 H new ATOM 0 HA ARG A 20 5.537 2.459 2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.136 3.034 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.704 4.676 3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.868 4.770 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.571 4.474 0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.626 1.874 1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.232 2.664 0.421 1.00 0.00 H new ATOM 0 HE ARG A 20 4.508 1.912 -1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.568 4.757 -0.451 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.101 5.588 -1.916 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.209 2.998 -2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.577 4.605 -3.300 1.00 0.00 H new ATOM 315 N LYS A 21 6.760 4.650 1.757 1.00 0.00 N ATOM 316 CA LYS A 21 7.744 5.754 1.549 1.00 0.00 C ATOM 317 C LYS A 21 7.320 6.991 2.349 1.00 0.00 C ATOM 318 O LYS A 21 8.110 7.880 2.599 1.00 0.00 O ATOM 319 CB LYS A 21 7.782 6.110 0.060 1.00 0.00 C ATOM 320 CG LYS A 21 8.184 4.869 -0.768 1.00 0.00 C ATOM 321 CD LYS A 21 7.600 4.958 -2.184 1.00 0.00 C ATOM 322 CE LYS A 21 8.269 6.094 -2.955 1.00 0.00 C ATOM 323 NZ LYS A 21 7.864 7.404 -2.369 1.00 0.00 N ATOM 0 H LYS A 21 6.496 4.146 0.910 1.00 0.00 H new ATOM 0 HA LYS A 21 8.729 5.429 1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.805 6.471 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.493 6.918 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.270 4.795 -0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.826 3.964 -0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.750 4.014 -2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.524 5.127 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.353 5.986 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.984 6.051 -4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.831 8.124 -3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.924 7.314 -1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.554 7.689 -1.645 1.00 0.00 H new ATOM 337 N ASP A 22 6.079 7.057 2.741 1.00 0.00 N ATOM 338 CA ASP A 22 5.602 8.240 3.515 1.00 0.00 C ATOM 339 C ASP A 22 5.986 8.086 4.991 1.00 0.00 C ATOM 340 O ASP A 22 5.738 8.961 5.797 1.00 0.00 O ATOM 341 CB ASP A 22 4.082 8.350 3.391 1.00 0.00 C ATOM 342 CG ASP A 22 3.713 8.707 1.951 1.00 0.00 C ATOM 343 OD1 ASP A 22 4.529 9.326 1.287 1.00 0.00 O ATOM 344 OD2 ASP A 22 2.621 8.356 1.535 1.00 0.00 O ATOM 0 H ASP A 22 5.373 6.344 2.560 1.00 0.00 H new ATOM 0 HA ASP A 22 6.067 9.142 3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.614 7.407 3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.705 9.111 4.074 1.00 0.00 H new ATOM 349 N GLY A 23 6.592 6.988 5.354 1.00 0.00 N ATOM 350 CA GLY A 23 6.994 6.790 6.778 1.00 0.00 C ATOM 351 C GLY A 23 5.819 6.215 7.572 1.00 0.00 C ATOM 352 O GLY A 23 5.999 5.615 8.614 1.00 0.00 O ATOM 0 H GLY A 23 6.827 6.219 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.848 6.115 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.309 7.739 7.212 1.00 0.00 H new ATOM 356 N ARG A 24 4.618 6.385 7.091 1.00 0.00 N ATOM 357 CA ARG A 24 3.441 5.838 7.825 1.00 0.00 C ATOM 358 C ARG A 24 3.488 4.313 7.775 1.00 0.00 C ATOM 359 O ARG A 24 4.139 3.733 6.929 1.00 0.00 O ATOM 360 CB ARG A 24 2.148 6.328 7.168 1.00 0.00 C ATOM 361 CG ARG A 24 2.042 5.753 5.751 1.00 0.00 C ATOM 362 CD ARG A 24 1.010 6.549 4.949 1.00 0.00 C ATOM 363 NE ARG A 24 1.424 7.981 4.893 1.00 0.00 N ATOM 364 CZ ARG A 24 0.862 8.794 4.040 1.00 0.00 C ATOM 365 NH1 ARG A 24 -0.064 8.357 3.232 1.00 0.00 N ATOM 366 NH2 ARG A 24 1.229 10.045 3.998 1.00 0.00 N ATOM 0 H ARG A 24 4.401 6.877 6.224 1.00 0.00 H new ATOM 0 HA ARG A 24 3.468 6.177 8.861 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.287 6.020 7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.137 7.417 7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.013 5.796 5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.752 4.703 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.925 6.144 3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.027 6.461 5.412 1.00 0.00 H new ATOM 0 HE ARG A 24 2.148 8.326 5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.350 7.379 3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.502 8.994 2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.953 10.386 4.630 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.792 10.683 3.333 1.00 0.00 H new ATOM 380 N TYR A 25 2.807 3.653 8.673 1.00 0.00 N ATOM 381 CA TYR A 25 2.825 2.164 8.664 1.00 0.00 C ATOM 382 C TYR A 25 1.845 1.645 7.612 1.00 0.00 C ATOM 383 O TYR A 25 0.864 2.288 7.288 1.00 0.00 O ATOM 384 CB TYR A 25 2.440 1.634 10.046 1.00 0.00 C ATOM 385 CG TYR A 25 3.541 1.978 11.030 1.00 0.00 C ATOM 386 CD1 TYR A 25 4.822 1.430 10.868 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.284 2.851 12.094 1.00 0.00 C ATOM 388 CE1 TYR A 25 5.844 1.755 11.769 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.306 3.177 12.994 1.00 0.00 C ATOM 390 CZ TYR A 25 5.586 2.630 12.831 1.00 0.00 C ATOM 391 OH TYR A 25 6.592 2.950 13.719 1.00 0.00 O ATOM 0 H TYR A 25 2.242 4.079 9.408 1.00 0.00 H new ATOM 0 HA TYR A 25 3.828 1.816 8.418 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.496 2.073 10.368 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.293 0.555 10.008 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.021 0.757 10.047 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.298 3.273 12.221 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.830 1.331 11.645 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.108 3.851 13.815 1.00 0.00 H new ATOM 0 HH TYR A 25 6.444 3.853 14.069 1.00 0.00 H new ATOM 401 N LEU A 26 2.113 0.484 7.074 1.00 0.00 N ATOM 402 CA LEU A 26 1.217 -0.102 6.031 1.00 0.00 C ATOM 403 C LEU A 26 1.073 -1.596 6.295 1.00 0.00 C ATOM 404 O LEU A 26 2.012 -2.355 6.154 1.00 0.00 O ATOM 405 CB LEU A 26 1.846 0.112 4.647 1.00 0.00 C ATOM 406 CG LEU A 26 0.822 -0.179 3.535 1.00 0.00 C ATOM 407 CD1 LEU A 26 1.377 0.336 2.204 1.00 0.00 C ATOM 408 CD2 LEU A 26 0.542 -1.696 3.424 1.00 0.00 C ATOM 0 H LEU A 26 2.922 -0.089 7.314 1.00 0.00 H new ATOM 0 HA LEU A 26 0.239 0.378 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.204 1.138 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.712 -0.539 4.531 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.114 0.325 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.659 0.135 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.551 1.410 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.317 -0.170 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.185 -1.875 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.469 -2.221 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.144 -2.063 4.370 1.00 0.00 H new ATOM 420 N TYR A 27 -0.102 -2.024 6.677 1.00 0.00 N ATOM 421 CA TYR A 27 -0.330 -3.472 6.956 1.00 0.00 C ATOM 422 C TYR A 27 -1.077 -4.088 5.779 1.00 0.00 C ATOM 423 O TYR A 27 -2.270 -3.906 5.609 1.00 0.00 O ATOM 424 CB TYR A 27 -1.144 -3.616 8.242 1.00 0.00 C ATOM 425 CG TYR A 27 -1.620 -5.043 8.415 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.687 -6.071 8.586 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.991 -5.335 8.414 1.00 0.00 C ATOM 428 CE1 TYR A 27 -1.124 -7.392 8.756 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.426 -6.654 8.583 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.492 -7.683 8.753 1.00 0.00 C ATOM 431 OH TYR A 27 -2.921 -8.983 8.919 1.00 0.00 O ATOM 0 H TYR A 27 -0.919 -1.428 6.808 1.00 0.00 H new ATOM 0 HA TYR A 27 0.621 -3.988 7.085 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.536 -3.323 9.098 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.000 -2.942 8.214 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.370 -5.847 8.587 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.712 -4.542 8.283 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.404 -8.186 8.889 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.482 -6.878 8.582 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.900 -9.010 8.893 1.00 0.00 H new ATOM 441 N LYS A 28 -0.363 -4.807 4.958 1.00 0.00 N ATOM 442 CA LYS A 28 -0.982 -5.456 3.772 1.00 0.00 C ATOM 443 C LYS A 28 -1.363 -6.890 4.134 1.00 0.00 C ATOM 444 O LYS A 28 -0.594 -7.611 4.740 1.00 0.00 O ATOM 445 CB LYS A 28 0.038 -5.463 2.627 1.00 0.00 C ATOM 446 CG LYS A 28 -0.663 -5.689 1.285 1.00 0.00 C ATOM 447 CD LYS A 28 0.308 -5.348 0.147 1.00 0.00 C ATOM 448 CE LYS A 28 -0.398 -5.492 -1.207 1.00 0.00 C ATOM 449 NZ LYS A 28 -0.315 -6.910 -1.661 1.00 0.00 N ATOM 0 H LYS A 28 0.638 -4.974 5.062 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.875 -4.912 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.578 -4.516 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.776 -6.247 2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.991 -6.725 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.555 -5.066 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.678 -4.330 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.174 -6.009 0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.441 -5.187 -1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.066 -4.835 -1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.793 -7.009 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.683 -7.185 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.777 -7.526 -0.962 1.00 0.00 H new ATOM 463 N TYR A 29 -2.531 -7.318 3.758 1.00 0.00 N ATOM 464 CA TYR A 29 -2.944 -8.715 4.073 1.00 0.00 C ATOM 465 C TYR A 29 -4.002 -9.171 3.067 1.00 0.00 C ATOM 466 O TYR A 29 -5.106 -8.664 3.026 1.00 0.00 O ATOM 467 CB TYR A 29 -3.474 -8.797 5.515 1.00 0.00 C ATOM 468 CG TYR A 29 -4.905 -8.315 5.607 1.00 0.00 C ATOM 469 CD1 TYR A 29 -5.957 -9.222 5.438 1.00 0.00 C ATOM 470 CD2 TYR A 29 -5.177 -6.968 5.876 1.00 0.00 C ATOM 471 CE1 TYR A 29 -7.283 -8.785 5.539 1.00 0.00 C ATOM 472 CE2 TYR A 29 -6.505 -6.530 5.974 1.00 0.00 C ATOM 473 CZ TYR A 29 -7.558 -7.439 5.806 1.00 0.00 C ATOM 474 OH TYR A 29 -8.865 -7.010 5.910 1.00 0.00 O ATOM 0 H TYR A 29 -3.219 -6.765 3.247 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.083 -9.379 3.996 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.412 -9.826 5.869 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.844 -8.196 6.170 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.746 -10.260 5.229 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.365 -6.268 6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.094 -9.487 5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.717 -5.491 6.179 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.880 -6.049 6.099 1.00 0.00 H new ATOM 484 N ILE A 30 -3.660 -10.123 2.249 1.00 0.00 N ATOM 485 CA ILE A 30 -4.622 -10.623 1.233 1.00 0.00 C ATOM 486 C ILE A 30 -5.775 -11.333 1.941 1.00 0.00 C ATOM 487 O ILE A 30 -5.587 -12.028 2.920 1.00 0.00 O ATOM 488 CB ILE A 30 -3.881 -11.583 0.286 1.00 0.00 C ATOM 489 CG1 ILE A 30 -2.735 -10.799 -0.450 1.00 0.00 C ATOM 490 CG2 ILE A 30 -4.874 -12.213 -0.713 1.00 0.00 C ATOM 491 CD1 ILE A 30 -2.815 -10.959 -1.976 1.00 0.00 C ATOM 0 H ILE A 30 -2.748 -10.580 2.241 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.033 -9.798 0.650 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.431 -12.396 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.796 -9.742 -0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.767 -11.157 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.340 -12.891 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.637 -12.768 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.348 -11.426 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.004 -10.401 -2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.727 -12.014 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.771 -10.576 -2.332 1.00 0.00 H new ATOM 503 N ASP A 31 -6.970 -11.150 1.455 1.00 0.00 N ATOM 504 CA ASP A 31 -8.151 -11.800 2.098 1.00 0.00 C ATOM 505 C ASP A 31 -8.310 -13.230 1.575 1.00 0.00 C ATOM 506 O ASP A 31 -7.674 -13.630 0.621 1.00 0.00 O ATOM 507 CB ASP A 31 -9.411 -10.997 1.772 1.00 0.00 C ATOM 508 CG ASP A 31 -9.467 -10.723 0.267 1.00 0.00 C ATOM 509 OD1 ASP A 31 -8.795 -11.427 -0.469 1.00 0.00 O ATOM 510 OD2 ASP A 31 -10.182 -9.816 -0.123 1.00 0.00 O ATOM 0 H ASP A 31 -7.183 -10.577 0.638 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.001 -11.829 3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.298 -11.548 2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.409 -10.057 2.324 1.00 0.00 H new ATOM 515 N SER A 32 -9.158 -14.003 2.198 1.00 0.00 N ATOM 516 CA SER A 32 -9.364 -15.409 1.745 1.00 0.00 C ATOM 517 C SER A 32 -9.910 -15.415 0.316 1.00 0.00 C ATOM 518 O SER A 32 -10.189 -16.454 -0.246 1.00 0.00 O ATOM 519 CB SER A 32 -10.365 -16.097 2.673 1.00 0.00 C ATOM 520 OG SER A 32 -9.991 -15.862 4.024 1.00 0.00 O ATOM 0 H SER A 32 -9.718 -13.721 3.003 1.00 0.00 H new ATOM 0 HA SER A 32 -8.413 -15.941 1.770 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.370 -15.716 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.389 -17.168 2.471 1.00 0.00 H new ATOM 0 HG SER A 32 -10.632 -16.300 4.622 1.00 0.00 H new ATOM 526 N PHE A 33 -10.062 -14.261 -0.279 1.00 0.00 N ATOM 527 CA PHE A 33 -10.586 -14.190 -1.673 1.00 0.00 C ATOM 528 C PHE A 33 -9.407 -14.063 -2.638 1.00 0.00 C ATOM 529 O PHE A 33 -9.454 -14.530 -3.759 1.00 0.00 O ATOM 530 CB PHE A 33 -11.485 -12.956 -1.804 1.00 0.00 C ATOM 531 CG PHE A 33 -12.857 -13.257 -1.245 1.00 0.00 C ATOM 532 CD1 PHE A 33 -13.847 -13.800 -2.072 1.00 0.00 C ATOM 533 CD2 PHE A 33 -13.139 -12.988 0.100 1.00 0.00 C ATOM 534 CE1 PHE A 33 -15.118 -14.075 -1.556 1.00 0.00 C ATOM 535 CE2 PHE A 33 -14.411 -13.263 0.617 1.00 0.00 C ATOM 536 CZ PHE A 33 -15.401 -13.806 -0.210 1.00 0.00 C ATOM 0 H PHE A 33 -9.844 -13.359 0.145 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.158 -15.088 -1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.042 -12.115 -1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.565 -12.663 -2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -13.630 -14.007 -3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.376 -12.569 0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.881 -14.495 -2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -14.628 -13.056 1.654 1.00 0.00 H new ATOM 0 HZ PHE A 33 -16.382 -14.018 0.189 1.00 0.00 H new ATOM 546 N GLY A 34 -8.352 -13.426 -2.204 1.00 0.00 N ATOM 547 CA GLY A 34 -7.150 -13.243 -3.076 1.00 0.00 C ATOM 548 C GLY A 34 -7.055 -11.777 -3.493 1.00 0.00 C ATOM 549 O GLY A 34 -6.293 -11.419 -4.367 1.00 0.00 O ATOM 0 H GLY A 34 -8.269 -13.019 -1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.248 -13.541 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.224 -13.881 -3.957 1.00 0.00 H new ATOM 553 N GLU A 35 -7.831 -10.924 -2.872 1.00 0.00 N ATOM 554 CA GLU A 35 -7.801 -9.472 -3.224 1.00 0.00 C ATOM 555 C GLU A 35 -6.960 -8.707 -2.183 1.00 0.00 C ATOM 556 O GLU A 35 -7.391 -8.529 -1.061 1.00 0.00 O ATOM 557 CB GLU A 35 -9.232 -8.925 -3.204 1.00 0.00 C ATOM 558 CG GLU A 35 -10.152 -9.876 -3.972 1.00 0.00 C ATOM 559 CD GLU A 35 -9.606 -10.084 -5.385 1.00 0.00 C ATOM 560 OE1 GLU A 35 -9.913 -9.273 -6.244 1.00 0.00 O ATOM 561 OE2 GLU A 35 -8.889 -11.051 -5.586 1.00 0.00 O ATOM 0 H GLU A 35 -8.488 -11.173 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.363 -9.345 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.578 -8.819 -2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.260 -7.933 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.220 -10.832 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.161 -9.466 -4.017 1.00 0.00 H new ATOM 568 N PRO A 36 -5.771 -8.254 -2.532 1.00 0.00 N ATOM 569 CA PRO A 36 -4.896 -7.506 -1.579 1.00 0.00 C ATOM 570 C PRO A 36 -5.665 -6.440 -0.785 1.00 0.00 C ATOM 571 O PRO A 36 -6.274 -5.553 -1.351 1.00 0.00 O ATOM 572 CB PRO A 36 -3.848 -6.861 -2.492 1.00 0.00 C ATOM 573 CG PRO A 36 -3.728 -7.799 -3.647 1.00 0.00 C ATOM 574 CD PRO A 36 -5.123 -8.396 -3.854 1.00 0.00 C ATOM 0 HA PRO A 36 -4.469 -8.159 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.162 -5.869 -2.817 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.894 -6.741 -1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.391 -7.275 -4.542 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.996 -8.580 -3.441 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.675 -7.863 -4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.069 -9.440 -4.162 1.00 0.00 H new ATOM 582 N GLN A 37 -5.636 -6.523 0.525 1.00 0.00 N ATOM 583 CA GLN A 37 -6.358 -5.521 1.374 1.00 0.00 C ATOM 584 C GLN A 37 -5.334 -4.563 1.996 1.00 0.00 C ATOM 585 O GLN A 37 -4.301 -4.981 2.483 1.00 0.00 O ATOM 586 CB GLN A 37 -7.125 -6.260 2.478 1.00 0.00 C ATOM 587 CG GLN A 37 -8.235 -5.358 3.026 1.00 0.00 C ATOM 588 CD GLN A 37 -9.349 -5.226 1.985 1.00 0.00 C ATOM 589 OE1 GLN A 37 -9.720 -4.130 1.612 1.00 0.00 O ATOM 590 NE2 GLN A 37 -9.905 -6.302 1.500 1.00 0.00 N ATOM 0 H GLN A 37 -5.140 -7.247 1.045 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.062 -4.951 0.768 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.553 -7.181 2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.444 -6.544 3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.634 -5.776 3.950 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.832 -4.375 3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.594 -7.222 1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.650 -6.223 0.808 1.00 0.00 H new ATOM 599 N PHE A 38 -5.604 -3.279 1.960 1.00 0.00 N ATOM 600 CA PHE A 38 -4.641 -2.275 2.522 1.00 0.00 C ATOM 601 C PHE A 38 -5.202 -1.616 3.792 1.00 0.00 C ATOM 602 O PHE A 38 -6.365 -1.277 3.875 1.00 0.00 O ATOM 603 CB PHE A 38 -4.410 -1.174 1.472 1.00 0.00 C ATOM 604 CG PHE A 38 -3.365 -1.605 0.467 1.00 0.00 C ATOM 605 CD1 PHE A 38 -3.647 -2.624 -0.447 1.00 0.00 C ATOM 606 CD2 PHE A 38 -2.119 -0.962 0.430 1.00 0.00 C ATOM 607 CE1 PHE A 38 -2.693 -3.002 -1.388 1.00 0.00 C ATOM 608 CE2 PHE A 38 -1.160 -1.345 -0.510 1.00 0.00 C ATOM 609 CZ PHE A 38 -1.447 -2.365 -1.420 1.00 0.00 C ATOM 0 H PHE A 38 -6.455 -2.880 1.563 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.713 -2.790 2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.346 -0.952 0.959 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.091 -0.256 1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.607 -3.119 -0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.901 -0.169 1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.915 -3.788 -2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.199 -0.854 -0.533 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.707 -2.662 -2.149 1.00 0.00 H new ATOM 619 N VAL A 39 -4.348 -1.384 4.756 1.00 0.00 N ATOM 620 CA VAL A 39 -4.766 -0.689 6.014 1.00 0.00 C ATOM 621 C VAL A 39 -3.651 0.304 6.361 1.00 0.00 C ATOM 622 O VAL A 39 -2.512 -0.078 6.544 1.00 0.00 O ATOM 623 CB VAL A 39 -4.946 -1.702 7.147 1.00 0.00 C ATOM 624 CG1 VAL A 39 -5.588 -1.012 8.356 1.00 0.00 C ATOM 625 CG2 VAL A 39 -5.852 -2.840 6.675 1.00 0.00 C ATOM 0 H VAL A 39 -3.364 -1.650 4.725 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.718 -0.176 5.879 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.973 -2.103 7.430 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.716 -1.735 9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.945 -0.200 8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.561 -0.610 8.072 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.980 -3.562 7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.824 -2.437 6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.398 -3.334 5.816 1.00 0.00 H new ATOM 635 N TYR A 40 -3.954 1.580 6.412 1.00 0.00 N ATOM 636 CA TYR A 40 -2.891 2.601 6.698 1.00 0.00 C ATOM 637 C TYR A 40 -2.964 3.077 8.153 1.00 0.00 C ATOM 638 O TYR A 40 -3.972 2.947 8.819 1.00 0.00 O ATOM 639 CB TYR A 40 -3.098 3.809 5.777 1.00 0.00 C ATOM 640 CG TYR A 40 -2.668 3.473 4.366 1.00 0.00 C ATOM 641 CD1 TYR A 40 -3.551 2.816 3.502 1.00 0.00 C ATOM 642 CD2 TYR A 40 -1.391 3.836 3.916 1.00 0.00 C ATOM 643 CE1 TYR A 40 -3.160 2.522 2.189 1.00 0.00 C ATOM 644 CE2 TYR A 40 -0.999 3.538 2.605 1.00 0.00 C ATOM 645 CZ TYR A 40 -1.884 2.883 1.740 1.00 0.00 C ATOM 646 OH TYR A 40 -1.499 2.595 0.444 1.00 0.00 O ATOM 0 H TYR A 40 -4.890 1.960 6.268 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.917 2.143 6.525 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.147 4.105 5.784 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.525 4.659 6.147 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.535 2.535 3.848 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.709 4.346 4.581 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.843 2.017 1.523 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.013 3.814 2.261 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.625 1.639 0.270 1.00 0.00 H new ATOM 656 N SER A 41 -1.886 3.643 8.633 1.00 0.00 N ATOM 657 CA SER A 41 -1.842 4.157 10.034 1.00 0.00 C ATOM 658 C SER A 41 -0.488 4.837 10.258 1.00 0.00 C ATOM 659 O SER A 41 0.430 4.659 9.483 1.00 0.00 O ATOM 660 CB SER A 41 -1.999 2.998 11.017 1.00 0.00 C ATOM 661 OG SER A 41 -1.821 3.479 12.341 1.00 0.00 O ATOM 0 H SER A 41 -1.023 3.772 8.105 1.00 0.00 H new ATOM 0 HA SER A 41 -2.653 4.868 10.194 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.986 2.547 10.911 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.268 2.220 10.799 1.00 0.00 H new ATOM 0 HG SER A 41 -2.635 3.315 12.861 1.00 0.00 H new ATOM 667 N TRP A 42 -0.350 5.611 11.311 1.00 0.00 N ATOM 668 CA TRP A 42 0.953 6.301 11.583 1.00 0.00 C ATOM 669 C TRP A 42 1.547 5.729 12.871 1.00 0.00 C ATOM 670 O TRP A 42 2.748 5.606 13.017 1.00 0.00 O ATOM 671 CB TRP A 42 0.698 7.800 11.769 1.00 0.00 C ATOM 672 CG TRP A 42 0.513 8.466 10.442 1.00 0.00 C ATOM 673 CD1 TRP A 42 -0.681 8.833 9.917 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.527 8.863 9.471 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.462 9.429 8.687 1.00 0.00 N ATOM 676 CE2 TRP A 42 0.882 9.470 8.369 1.00 0.00 C ATOM 677 CE3 TRP A 42 2.931 8.755 9.443 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.603 9.955 7.275 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.659 9.241 8.342 1.00 0.00 C ATOM 680 CH2 TRP A 42 2.997 9.840 7.261 1.00 0.00 C ATOM 0 H TRP A 42 -1.085 5.794 11.994 1.00 0.00 H new ATOM 0 HA TRP A 42 1.641 6.148 10.752 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.188 7.951 12.385 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.535 8.255 12.298 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.645 8.685 10.382 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.203 9.794 8.088 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.451 8.297 10.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.087 10.416 6.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.735 9.152 8.329 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.562 10.212 6.419 1.00 0.00 H new ATOM 691 N LYS A 43 0.707 5.390 13.810 1.00 0.00 N ATOM 692 CA LYS A 43 1.196 4.832 15.106 1.00 0.00 C ATOM 693 C LYS A 43 1.197 3.303 15.043 1.00 0.00 C ATOM 694 O LYS A 43 0.207 2.692 14.693 1.00 0.00 O ATOM 695 CB LYS A 43 0.256 5.267 16.243 1.00 0.00 C ATOM 696 CG LYS A 43 -0.151 6.736 16.084 1.00 0.00 C ATOM 697 CD LYS A 43 -1.236 7.073 17.116 1.00 0.00 C ATOM 698 CE LYS A 43 -2.543 6.321 16.806 1.00 0.00 C ATOM 699 NZ LYS A 43 -3.698 7.134 17.284 1.00 0.00 N ATOM 0 H LYS A 43 -0.307 5.476 13.736 1.00 0.00 H new ATOM 0 HA LYS A 43 2.205 5.201 15.289 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.634 4.637 16.246 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.751 5.124 17.204 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.715 7.383 16.224 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.523 6.916 15.075 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.888 6.809 18.115 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.421 8.147 17.117 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.628 6.140 15.734 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.541 5.347 17.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.472 7.079 16.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.026 6.766 18.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.403 8.125 17.395 1.00 0.00 H new ATOM 713 N LEU A 44 2.277 2.674 15.413 1.00 0.00 N ATOM 714 CA LEU A 44 2.288 1.186 15.405 1.00 0.00 C ATOM 715 C LEU A 44 1.482 0.723 16.613 1.00 0.00 C ATOM 716 O LEU A 44 0.883 -0.329 16.607 1.00 0.00 O ATOM 717 CB LEU A 44 3.729 0.668 15.497 1.00 0.00 C ATOM 718 CG LEU A 44 3.740 -0.863 15.636 1.00 0.00 C ATOM 719 CD1 LEU A 44 2.971 -1.509 14.471 1.00 0.00 C ATOM 720 CD2 LEU A 44 5.192 -1.354 15.627 1.00 0.00 C ATOM 0 H LEU A 44 3.143 3.120 15.717 1.00 0.00 H new ATOM 0 HA LEU A 44 1.854 0.800 14.482 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.286 0.963 14.607 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.231 1.121 16.352 1.00 0.00 H new ATOM 0 HG LEU A 44 3.257 -1.143 16.572 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.987 -2.593 14.582 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.939 -1.158 14.477 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.442 -1.234 13.527 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.210 -2.439 15.725 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.667 -1.067 14.689 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.733 -0.905 16.460 1.00 0.00 H new ATOM 732 N VAL A 45 1.445 1.531 17.645 1.00 0.00 N ATOM 733 CA VAL A 45 0.660 1.180 18.869 1.00 0.00 C ATOM 734 C VAL A 45 -0.041 2.447 19.357 1.00 0.00 C ATOM 735 O VAL A 45 0.428 3.546 19.141 1.00 0.00 O ATOM 736 CB VAL A 45 1.591 0.634 19.969 1.00 0.00 C ATOM 737 CG1 VAL A 45 2.577 -0.376 19.373 1.00 0.00 C ATOM 738 CG2 VAL A 45 2.373 1.786 20.614 1.00 0.00 C ATOM 0 H VAL A 45 1.930 2.427 17.691 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.071 0.406 18.635 1.00 0.00 H new ATOM 0 HB VAL A 45 0.982 0.140 20.726 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.230 -0.755 20.159 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.025 -1.204 18.929 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.179 0.112 18.606 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.028 1.391 21.390 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.972 2.289 19.855 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.675 2.497 21.056 1.00 0.00 H new ATOM 748 N ALA A 46 -1.167 2.308 19.989 1.00 0.00 N ATOM 749 CA ALA A 46 -1.895 3.513 20.456 1.00 0.00 C ATOM 750 C ALA A 46 -1.150 4.154 21.626 1.00 0.00 C ATOM 751 O ALA A 46 -1.638 4.224 22.737 1.00 0.00 O ATOM 752 CB ALA A 46 -3.319 3.116 20.856 1.00 0.00 C ATOM 0 H ALA A 46 -1.614 1.416 20.202 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.950 4.248 19.653 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.859 3.998 21.200 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.833 2.689 19.995 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.280 2.379 21.658 1.00 0.00 H new ATOM 758 N THR A 47 0.031 4.645 21.360 1.00 0.00 N ATOM 759 CA THR A 47 0.840 5.317 22.415 1.00 0.00 C ATOM 760 C THR A 47 1.709 6.387 21.748 1.00 0.00 C ATOM 761 O THR A 47 1.956 7.440 22.299 1.00 0.00 O ATOM 762 CB THR A 47 1.731 4.292 23.127 1.00 0.00 C ATOM 763 OG1 THR A 47 0.990 3.102 23.355 1.00 0.00 O ATOM 764 CG2 THR A 47 2.199 4.864 24.465 1.00 0.00 C ATOM 0 H THR A 47 0.475 4.608 20.442 1.00 0.00 H new ATOM 0 HA THR A 47 0.182 5.774 23.154 1.00 0.00 H new ATOM 0 HB THR A 47 2.598 4.069 22.505 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.558 2.445 23.809 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.832 4.135 24.971 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.766 5.779 24.291 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.333 5.087 25.088 1.00 0.00 H new ATOM 772 N ASP A 48 2.164 6.117 20.554 1.00 0.00 N ATOM 773 CA ASP A 48 3.008 7.101 19.822 1.00 0.00 C ATOM 774 C ASP A 48 2.157 8.337 19.485 1.00 0.00 C ATOM 775 O ASP A 48 1.129 8.570 20.089 1.00 0.00 O ATOM 776 CB ASP A 48 3.528 6.435 18.535 1.00 0.00 C ATOM 777 CG ASP A 48 4.803 5.641 18.837 1.00 0.00 C ATOM 778 OD1 ASP A 48 5.675 6.185 19.495 1.00 0.00 O ATOM 779 OD2 ASP A 48 4.886 4.503 18.403 1.00 0.00 O ATOM 0 H ASP A 48 1.984 5.248 20.051 1.00 0.00 H new ATOM 0 HA ASP A 48 3.855 7.415 20.432 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.766 5.773 18.124 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.732 7.194 17.779 1.00 0.00 H new ATOM 784 N ARG A 49 2.580 9.134 18.531 1.00 0.00 N ATOM 785 CA ARG A 49 1.802 10.362 18.154 1.00 0.00 C ATOM 786 C ARG A 49 1.694 10.447 16.630 1.00 0.00 C ATOM 787 O ARG A 49 2.043 9.522 15.926 1.00 0.00 O ATOM 788 CB ARG A 49 2.531 11.609 18.672 1.00 0.00 C ATOM 789 CG ARG A 49 2.485 11.656 20.210 1.00 0.00 C ATOM 790 CD ARG A 49 1.179 12.304 20.687 1.00 0.00 C ATOM 791 NE ARG A 49 1.217 12.458 22.168 1.00 0.00 N ATOM 792 CZ ARG A 49 0.368 13.248 22.768 1.00 0.00 C ATOM 793 NH1 ARG A 49 -0.523 13.899 22.072 1.00 0.00 N ATOM 794 NH2 ARG A 49 0.412 13.385 24.065 1.00 0.00 N ATOM 0 H ARG A 49 3.435 8.987 17.994 1.00 0.00 H new ATOM 0 HA ARG A 49 0.806 10.307 18.594 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.567 11.600 18.333 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.069 12.506 18.260 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.566 10.647 20.613 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.338 12.220 20.588 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.048 13.276 20.212 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.327 11.689 20.396 1.00 0.00 H new ATOM 0 HE ARG A 49 1.908 11.945 22.715 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.557 13.791 21.058 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.186 14.516 22.542 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.109 12.875 24.608 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.250 14.002 24.535 1.00 0.00 H new ATOM 808 N VAL A 50 1.218 11.555 16.114 1.00 0.00 N ATOM 809 CA VAL A 50 1.085 11.705 14.631 1.00 0.00 C ATOM 810 C VAL A 50 1.099 13.201 14.272 1.00 0.00 C ATOM 811 O VAL A 50 0.434 13.987 14.915 1.00 0.00 O ATOM 812 CB VAL A 50 -0.260 11.130 14.161 1.00 0.00 C ATOM 813 CG1 VAL A 50 -0.351 9.648 14.514 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.407 11.887 14.843 1.00 0.00 C ATOM 0 H VAL A 50 0.915 12.363 16.658 1.00 0.00 H new ATOM 0 HA VAL A 50 1.909 11.177 14.152 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.335 11.244 13.080 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.308 9.252 14.176 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.459 9.107 14.025 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.268 9.525 15.594 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.361 11.479 14.510 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.323 11.777 15.924 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.352 12.944 14.580 1.00 0.00 H new ATOM 824 N PRO A 51 1.823 13.607 13.250 1.00 0.00 N ATOM 825 CA PRO A 51 1.857 15.036 12.834 1.00 0.00 C ATOM 826 C PRO A 51 0.470 15.683 12.904 1.00 0.00 C ATOM 827 O PRO A 51 -0.506 15.148 12.422 1.00 0.00 O ATOM 828 CB PRO A 51 2.363 14.968 11.393 1.00 0.00 C ATOM 829 CG PRO A 51 3.256 13.769 11.360 1.00 0.00 C ATOM 830 CD PRO A 51 2.684 12.775 12.383 1.00 0.00 C ATOM 0 HA PRO A 51 2.484 15.647 13.483 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.538 14.867 10.688 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.906 15.873 11.121 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.280 13.330 10.363 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.281 14.041 11.613 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.114 11.985 11.895 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.476 12.291 12.954 1.00 0.00 H new ATOM 838 N ALA A 52 0.378 16.822 13.515 1.00 0.00 N ATOM 839 CA ALA A 52 -0.938 17.501 13.633 1.00 0.00 C ATOM 840 C ALA A 52 -1.567 17.694 12.251 1.00 0.00 C ATOM 841 O ALA A 52 -2.774 17.727 12.112 1.00 0.00 O ATOM 842 CB ALA A 52 -0.728 18.857 14.305 1.00 0.00 C ATOM 0 H ALA A 52 1.161 17.318 13.942 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.613 16.888 14.231 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.686 19.369 14.399 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.297 18.710 15.295 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.052 19.462 13.701 1.00 0.00 H new ATOM 848 N GLY A 53 -0.769 17.832 11.230 1.00 0.00 N ATOM 849 CA GLY A 53 -1.338 18.034 9.867 1.00 0.00 C ATOM 850 C GLY A 53 -1.777 16.692 9.273 1.00 0.00 C ATOM 851 O GLY A 53 -2.354 16.639 8.205 1.00 0.00 O ATOM 0 H GLY A 53 0.250 17.814 11.279 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.189 18.714 9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.595 18.501 9.220 1.00 0.00 H new ATOM 855 N LYS A 54 -1.502 15.604 9.945 1.00 0.00 N ATOM 856 CA LYS A 54 -1.896 14.266 9.406 1.00 0.00 C ATOM 857 C LYS A 54 -3.278 13.871 9.945 1.00 0.00 C ATOM 858 O LYS A 54 -3.815 14.492 10.842 1.00 0.00 O ATOM 859 CB LYS A 54 -0.834 13.228 9.832 1.00 0.00 C ATOM 860 CG LYS A 54 0.299 13.080 8.779 1.00 0.00 C ATOM 861 CD LYS A 54 0.610 14.408 8.042 1.00 0.00 C ATOM 862 CE LYS A 54 2.069 14.415 7.536 1.00 0.00 C ATOM 863 NZ LYS A 54 2.941 15.093 8.537 1.00 0.00 N ATOM 0 H LYS A 54 -1.021 15.583 10.844 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.952 14.304 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.402 13.524 10.788 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.314 12.261 9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.203 12.723 9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.014 12.323 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.073 14.534 7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.448 15.251 8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.413 13.394 7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.130 14.930 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.595 15.737 8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.351 15.635 9.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.486 14.380 9.062 1.00 0.00 H new ATOM 877 N ARG A 55 -3.852 12.839 9.387 1.00 0.00 N ATOM 878 CA ARG A 55 -5.199 12.379 9.829 1.00 0.00 C ATOM 879 C ARG A 55 -5.059 11.571 11.123 1.00 0.00 C ATOM 880 O ARG A 55 -4.111 10.833 11.310 1.00 0.00 O ATOM 881 CB ARG A 55 -5.798 11.483 8.723 1.00 0.00 C ATOM 882 CG ARG A 55 -6.591 12.332 7.700 1.00 0.00 C ATOM 883 CD ARG A 55 -8.078 12.358 8.080 1.00 0.00 C ATOM 884 NE ARG A 55 -8.211 12.400 9.563 1.00 0.00 N ATOM 885 CZ ARG A 55 -9.355 12.710 10.110 1.00 0.00 C ATOM 886 NH1 ARG A 55 -10.388 12.972 9.358 1.00 0.00 N ATOM 887 NH2 ARG A 55 -9.467 12.753 11.410 1.00 0.00 N ATOM 0 H ARG A 55 -3.439 12.289 8.634 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.850 13.235 10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.000 10.943 8.214 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.454 10.736 9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.196 13.348 7.674 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.470 11.917 6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.563 13.228 7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.581 11.476 7.684 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.406 12.186 10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.302 12.935 8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.282 13.214 9.786 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.660 12.544 11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.361 12.995 11.837 1.00 0.00 H new ATOM 901 N ASP A 56 -6.005 11.698 12.015 1.00 0.00 N ATOM 902 CA ASP A 56 -5.937 10.928 13.288 1.00 0.00 C ATOM 903 C ASP A 56 -6.471 9.518 13.042 1.00 0.00 C ATOM 904 O ASP A 56 -7.291 9.299 12.171 1.00 0.00 O ATOM 905 CB ASP A 56 -6.788 11.622 14.353 1.00 0.00 C ATOM 906 CG ASP A 56 -6.603 10.914 15.696 1.00 0.00 C ATOM 907 OD1 ASP A 56 -7.054 9.786 15.816 1.00 0.00 O ATOM 908 OD2 ASP A 56 -6.014 11.511 16.582 1.00 0.00 O ATOM 0 H ASP A 56 -6.821 12.302 11.916 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.905 10.876 13.635 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.498 12.669 14.439 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.838 11.605 14.062 1.00 0.00 H new ATOM 913 N ALA A 57 -6.011 8.557 13.791 1.00 0.00 N ATOM 914 CA ALA A 57 -6.491 7.162 13.585 1.00 0.00 C ATOM 915 C ALA A 57 -5.934 6.266 14.690 1.00 0.00 C ATOM 916 O ALA A 57 -4.913 6.557 15.278 1.00 0.00 O ATOM 917 CB ALA A 57 -6.000 6.657 12.223 1.00 0.00 C ATOM 0 H ALA A 57 -5.325 8.676 14.536 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.580 7.140 13.614 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.348 5.636 12.066 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.392 7.299 11.434 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.910 6.676 12.199 1.00 0.00 H new ATOM 923 N ILE A 58 -6.582 5.168 14.965 1.00 0.00 N ATOM 924 CA ILE A 58 -6.066 4.258 16.017 1.00 0.00 C ATOM 925 C ILE A 58 -4.845 3.536 15.466 1.00 0.00 C ATOM 926 O ILE A 58 -4.772 3.224 14.294 1.00 0.00 O ATOM 927 CB ILE A 58 -7.137 3.231 16.387 1.00 0.00 C ATOM 928 CG1 ILE A 58 -7.446 2.339 15.170 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.409 3.952 16.816 1.00 0.00 C ATOM 930 CD1 ILE A 58 -8.671 1.437 15.436 1.00 0.00 C ATOM 0 H ILE A 58 -7.442 4.865 14.508 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.802 4.830 16.907 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.771 2.613 17.207 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.634 2.963 14.296 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.579 1.720 14.939 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.172 3.219 17.079 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.197 4.581 17.680 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.770 4.572 15.996 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.865 0.819 14.559 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.471 0.796 16.295 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.543 2.058 15.642 1.00 0.00 H new ATOM 942 N SER A 59 -3.886 3.263 16.294 1.00 0.00 N ATOM 943 CA SER A 59 -2.674 2.559 15.809 1.00 0.00 C ATOM 944 C SER A 59 -3.087 1.332 15.002 1.00 0.00 C ATOM 945 O SER A 59 -4.094 0.707 15.270 1.00 0.00 O ATOM 946 CB SER A 59 -1.835 2.140 17.010 1.00 0.00 C ATOM 947 OG SER A 59 -2.172 0.811 17.383 1.00 0.00 O ATOM 0 H SER A 59 -3.887 3.496 17.287 1.00 0.00 H new ATOM 0 HA SER A 59 -2.088 3.219 15.169 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.775 2.203 16.766 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.011 2.819 17.844 1.00 0.00 H new ATOM 0 HG SER A 59 -2.351 0.777 18.346 1.00 0.00 H new ATOM 953 N LEU A 60 -2.323 0.996 14.010 1.00 0.00 N ATOM 954 CA LEU A 60 -2.670 -0.178 13.170 1.00 0.00 C ATOM 955 C LEU A 60 -2.946 -1.389 14.073 1.00 0.00 C ATOM 956 O LEU A 60 -3.752 -2.239 13.754 1.00 0.00 O ATOM 957 CB LEU A 60 -1.486 -0.469 12.215 1.00 0.00 C ATOM 958 CG LEU A 60 -1.967 -0.564 10.764 1.00 0.00 C ATOM 959 CD1 LEU A 60 -0.749 -0.628 9.839 1.00 0.00 C ATOM 960 CD2 LEU A 60 -2.834 -1.814 10.576 1.00 0.00 C ATOM 0 H LEU A 60 -1.469 1.485 13.742 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.565 0.025 12.582 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.739 0.320 12.304 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.001 -1.401 12.504 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.567 0.313 10.521 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.082 -0.696 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.146 0.271 9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.150 -1.505 10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.170 -1.871 9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.250 -2.702 10.817 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.700 -1.759 11.236 1.00 0.00 H new ATOM 972 N ARG A 61 -2.278 -1.481 15.189 1.00 0.00 N ATOM 973 CA ARG A 61 -2.500 -2.643 16.096 1.00 0.00 C ATOM 974 C ARG A 61 -3.983 -2.727 16.474 1.00 0.00 C ATOM 975 O ARG A 61 -4.515 -3.800 16.677 1.00 0.00 O ATOM 976 CB ARG A 61 -1.648 -2.478 17.360 1.00 0.00 C ATOM 977 CG ARG A 61 -0.176 -2.826 17.058 1.00 0.00 C ATOM 978 CD ARG A 61 0.080 -4.327 17.255 1.00 0.00 C ATOM 979 NE ARG A 61 1.198 -4.763 16.368 1.00 0.00 N ATOM 980 CZ ARG A 61 1.791 -5.908 16.580 1.00 0.00 C ATOM 981 NH1 ARG A 61 1.398 -6.675 17.559 1.00 0.00 N ATOM 982 NH2 ARG A 61 2.775 -6.285 15.810 1.00 0.00 N ATOM 0 H ARG A 61 -1.588 -0.803 15.513 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.210 -3.561 15.586 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.720 -1.453 17.725 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.028 -3.125 18.151 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.067 -2.542 16.034 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.480 -2.252 17.712 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.328 -4.531 18.297 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.822 -4.894 17.025 1.00 0.00 H new ATOM 0 HE ARG A 61 1.499 -4.168 15.597 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.628 -6.381 18.159 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.861 -7.569 17.724 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.081 -5.686 15.043 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.238 -7.179 15.975 1.00 0.00 H new ATOM 996 N GLU A 62 -4.660 -1.612 16.564 1.00 0.00 N ATOM 997 CA GLU A 62 -6.104 -1.654 16.919 1.00 0.00 C ATOM 998 C GLU A 62 -6.900 -2.083 15.683 1.00 0.00 C ATOM 999 O GLU A 62 -7.750 -2.948 15.755 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.548 -0.271 17.389 1.00 0.00 C ATOM 1001 CG GLU A 62 -6.131 -0.059 18.848 1.00 0.00 C ATOM 1002 CD GLU A 62 -7.000 -0.928 19.759 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -8.208 -0.754 19.734 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -6.444 -1.753 20.465 1.00 0.00 O ATOM 0 H GLU A 62 -4.276 -0.680 16.407 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.279 -2.368 17.724 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.102 0.498 16.758 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.629 -0.174 17.293 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.080 -0.316 18.978 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.238 0.991 19.119 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.615 -1.507 14.544 1.00 0.00 N ATOM 1012 CA LYS A 63 -7.341 -1.914 13.307 1.00 0.00 C ATOM 1013 C LYS A 63 -7.099 -3.409 13.091 1.00 0.00 C ATOM 1014 O LYS A 63 -8.004 -4.166 12.795 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.807 -1.114 12.109 1.00 0.00 C ATOM 1016 CG LYS A 63 -7.480 0.264 12.067 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.675 1.211 11.174 1.00 0.00 C ATOM 1018 CE LYS A 63 -7.407 2.552 11.062 1.00 0.00 C ATOM 1019 NZ LYS A 63 -8.561 2.410 10.129 1.00 0.00 N ATOM 0 H LYS A 63 -5.915 -0.776 14.418 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.408 -1.717 13.405 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.726 -0.999 12.189 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.003 -1.654 11.182 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.498 0.170 11.688 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.552 0.674 13.074 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.679 1.362 11.590 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.544 0.772 10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.756 2.871 12.044 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.725 3.322 10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.934 3.352 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.248 1.933 9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.307 1.846 10.583 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.879 -3.834 13.259 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.547 -5.274 13.091 1.00 0.00 C ATOM 1035 C ILE A 64 -6.297 -6.079 14.158 1.00 0.00 C ATOM 1036 O ILE A 64 -6.812 -7.149 13.901 1.00 0.00 O ATOM 1037 CB ILE A 64 -4.024 -5.451 13.260 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -3.305 -5.021 11.963 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.678 -6.915 13.574 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.883 -4.544 12.285 1.00 0.00 C ATOM 0 H ILE A 64 -5.090 -3.238 13.508 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.842 -5.627 12.103 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.693 -4.827 14.091 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.268 -5.857 11.264 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.864 -4.222 11.475 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.599 -7.017 13.689 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.172 -7.215 14.498 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.018 -7.552 12.758 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.383 -4.243 11.364 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.930 -3.695 12.967 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.324 -5.355 12.752 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.353 -5.567 15.355 1.00 0.00 N ATOM 1053 CA ALA A 65 -7.056 -6.290 16.453 1.00 0.00 C ATOM 1054 C ALA A 65 -8.485 -6.630 16.030 1.00 0.00 C ATOM 1055 O ALA A 65 -9.048 -7.615 16.464 1.00 0.00 O ATOM 1056 CB ALA A 65 -7.100 -5.402 17.698 1.00 0.00 C ATOM 0 H ALA A 65 -5.940 -4.674 15.623 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.518 -7.212 16.671 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.614 -5.928 18.502 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.083 -5.164 18.011 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.634 -4.480 17.469 1.00 0.00 H new ATOM 1062 N GLU A 66 -9.083 -5.829 15.192 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.477 -6.126 14.760 1.00 0.00 C ATOM 1064 C GLU A 66 -10.455 -7.295 13.779 1.00 0.00 C ATOM 1065 O GLU A 66 -11.293 -8.174 13.819 1.00 0.00 O ATOM 1066 CB GLU A 66 -11.078 -4.894 14.082 1.00 0.00 C ATOM 1067 CG GLU A 66 -11.007 -3.702 15.039 1.00 0.00 C ATOM 1068 CD GLU A 66 -11.571 -2.458 14.351 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -12.285 -2.616 13.375 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -11.279 -1.367 14.812 1.00 0.00 O ATOM 0 H GLU A 66 -8.670 -4.987 14.790 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.084 -6.386 15.627 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.536 -4.670 13.163 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.113 -5.088 13.802 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.573 -3.916 15.946 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.975 -3.526 15.341 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.492 -7.312 12.903 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.397 -8.424 11.916 1.00 0.00 C ATOM 1079 C LEU A 67 -9.054 -9.717 12.659 1.00 0.00 C ATOM 1080 O LEU A 67 -9.374 -10.805 12.223 1.00 0.00 O ATOM 1081 CB LEU A 67 -8.294 -8.107 10.896 1.00 0.00 C ATOM 1082 CG LEU A 67 -8.366 -6.630 10.495 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -7.292 -6.332 9.444 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -9.749 -6.326 9.913 1.00 0.00 C ATOM 0 H LEU A 67 -8.764 -6.602 12.827 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.346 -8.541 11.393 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.316 -8.330 11.323 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.409 -8.738 10.015 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.196 -6.007 11.373 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.344 -5.281 9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.307 -6.548 9.859 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.460 -6.955 8.565 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.801 -5.275 9.628 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.919 -6.949 9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.513 -6.537 10.661 1.00 0.00 H new ATOM 1096 N GLN A 68 -8.399 -9.596 13.780 1.00 0.00 N ATOM 1097 CA GLN A 68 -8.020 -10.799 14.572 1.00 0.00 C ATOM 1098 C GLN A 68 -9.187 -11.210 15.464 1.00 0.00 C ATOM 1099 O GLN A 68 -9.002 -11.709 16.556 1.00 0.00 O ATOM 1100 CB GLN A 68 -6.821 -10.460 15.453 1.00 0.00 C ATOM 1101 CG GLN A 68 -5.645 -9.984 14.587 1.00 0.00 C ATOM 1102 CD GLN A 68 -4.914 -11.190 13.989 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -5.524 -12.049 13.384 1.00 0.00 O ATOM 1104 NE2 GLN A 68 -3.622 -11.287 14.131 1.00 0.00 N ATOM 0 H GLN A 68 -8.107 -8.706 14.185 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.769 -11.616 13.895 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.094 -9.684 16.168 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.526 -11.336 16.031 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.009 -9.336 13.789 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.956 -9.392 15.189 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.109 -10.566 14.639 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.124 -12.084 13.734 1.00 0.00 H new