USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 630 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 28 SER OG : rot 160:sc= 0.00136 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -172:sc= 0.786 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.801 X(o=-0.8,f=-0.51) USER MOD Single : A 25 CYS SG : rot -86:sc= -3.35! USER MOD Single : A 29 CYS SG : rot 180:sc= -0.251 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0942 X(o=-0.094,f=-0.5) USER MOD Single : A 51 ASN : amide:sc= -0.0237 X(o=-0.024,f=-0.022) USER MOD Single : A 54 ASN : amide:sc= -0.564 K(o=-0.56,f=-1.2) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 134:sc= 0.527 USER MOD Single : A 60 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-1.9) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -151:sc= 1.27 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-0.91) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -4.113 -6.738 -15.883 1.00 0.00 N ATOM 2 CA PRO A 1 -3.411 -6.143 -14.713 1.00 0.00 C ATOM 3 C PRO A 1 -2.385 -5.085 -15.133 1.00 0.00 C ATOM 4 O PRO A 1 -1.663 -5.267 -16.115 1.00 0.00 O ATOM 5 CB PRO A 1 -2.726 -7.279 -13.959 1.00 0.00 C ATOM 6 CG PRO A 1 -2.917 -8.472 -14.833 1.00 0.00 C ATOM 7 CD PRO A 1 -4.141 -8.197 -15.674 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.628 -6.507 -16.750 1.00 0.00 H new ATOM 0 H3 PRO A 1 -5.060 -6.367 -15.963 1.00 0.00 H new ATOM 0 HA PRO A 1 -4.136 -5.634 -14.078 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -1.668 -7.069 -13.799 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -3.173 -7.430 -12.977 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -2.042 -8.635 -15.463 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -3.052 -9.373 -14.235 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -4.104 -8.736 -16.621 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -5.053 -8.509 -15.165 1.00 0.00 H new ATOM 17 N ARG A 2 -2.334 -3.983 -14.383 1.00 0.00 N ATOM 18 CA ARG A 2 -1.402 -2.891 -14.670 1.00 0.00 C ATOM 19 C ARG A 2 -0.449 -2.664 -13.498 1.00 0.00 C ATOM 20 O ARG A 2 -0.724 -3.090 -12.376 1.00 0.00 O ATOM 21 CB ARG A 2 -2.174 -1.604 -14.975 1.00 0.00 C ATOM 22 CG ARG A 2 -2.642 -1.497 -16.415 1.00 0.00 C ATOM 23 CD ARG A 2 -1.559 -0.914 -17.313 1.00 0.00 C ATOM 24 NE ARG A 2 -0.919 -1.938 -18.142 1.00 0.00 N ATOM 25 CZ ARG A 2 -0.174 -1.671 -19.218 1.00 0.00 C ATOM 26 NH1 ARG A 2 0.041 -0.414 -19.599 1.00 0.00 N ATOM 27 NH2 ARG A 2 0.363 -2.666 -19.915 1.00 0.00 N ATOM 0 H ARG A 2 -2.929 -3.823 -13.570 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.812 -3.169 -15.543 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.040 -1.546 -14.316 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.540 -0.748 -14.744 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.926 -2.484 -16.780 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.532 -0.870 -16.463 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.995 -0.149 -17.955 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.805 -0.423 -16.698 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.050 -2.915 -17.882 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.365 0.356 -19.068 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.612 -0.221 -20.422 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.206 -3.632 -19.628 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.932 -2.464 -20.737 1.00 0.00 H new ATOM 41 N VAL A 3 0.669 -1.991 -13.764 1.00 0.00 N ATOM 42 CA VAL A 3 1.659 -1.712 -12.724 1.00 0.00 C ATOM 43 C VAL A 3 1.767 -0.208 -12.446 1.00 0.00 C ATOM 44 O VAL A 3 2.223 0.560 -13.293 1.00 0.00 O ATOM 45 CB VAL A 3 3.047 -2.285 -13.104 1.00 0.00 C ATOM 46 CG1 VAL A 3 3.583 -1.644 -14.378 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.034 -2.117 -11.955 1.00 0.00 C ATOM 0 H VAL A 3 0.912 -1.630 -14.686 1.00 0.00 H new ATOM 0 HA VAL A 3 1.319 -2.206 -11.814 1.00 0.00 H new ATOM 0 HB VAL A 3 2.925 -3.351 -13.297 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.558 -2.068 -14.616 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.893 -1.836 -15.200 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.682 -0.569 -14.231 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.002 -2.526 -12.244 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.143 -1.058 -11.721 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.664 -2.646 -11.077 1.00 0.00 H new ATOM 57 N ARG A 4 1.338 0.202 -11.251 1.00 0.00 N ATOM 58 CA ARG A 4 1.383 1.607 -10.859 1.00 0.00 C ATOM 59 C ARG A 4 2.280 1.812 -9.636 1.00 0.00 C ATOM 60 O ARG A 4 2.221 1.042 -8.677 1.00 0.00 O ATOM 61 CB ARG A 4 -0.030 2.116 -10.564 1.00 0.00 C ATOM 62 CG ARG A 4 -0.077 3.579 -10.157 1.00 0.00 C ATOM 63 CD ARG A 4 -1.406 4.220 -10.520 1.00 0.00 C ATOM 64 NE ARG A 4 -1.288 5.668 -10.683 1.00 0.00 N ATOM 65 CZ ARG A 4 -0.803 6.261 -11.780 1.00 0.00 C ATOM 66 NH1 ARG A 4 -0.394 5.532 -12.817 1.00 0.00 N ATOM 67 NH2 ARG A 4 -0.728 7.587 -11.837 1.00 0.00 N ATOM 0 H ARG A 4 0.956 -0.421 -10.540 1.00 0.00 H new ATOM 0 HA ARG A 4 1.805 2.176 -11.688 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.651 1.974 -11.449 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.466 1.512 -9.768 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.087 3.663 -9.083 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.733 4.119 -10.646 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.780 3.780 -11.444 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.139 4.001 -9.743 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.594 6.263 -9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.449 4.514 -12.778 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.025 5.992 -13.650 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.040 8.150 -11.046 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.359 8.041 -12.672 1.00 0.00 H new ATOM 81 N SER A 5 3.107 2.857 -9.683 1.00 0.00 N ATOM 82 CA SER A 5 4.017 3.176 -8.583 1.00 0.00 C ATOM 83 C SER A 5 3.349 4.118 -7.584 1.00 0.00 C ATOM 84 O SER A 5 2.789 5.148 -7.969 1.00 0.00 O ATOM 85 CB SER A 5 5.306 3.814 -9.120 1.00 0.00 C ATOM 86 OG SER A 5 5.506 3.505 -10.490 1.00 0.00 O ATOM 0 H SER A 5 3.165 3.499 -10.474 1.00 0.00 H new ATOM 0 HA SER A 5 4.268 2.246 -8.072 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.259 4.896 -8.993 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.158 3.462 -8.538 1.00 0.00 H new ATOM 0 HG SER A 5 6.333 3.927 -10.803 1.00 0.00 H new ATOM 92 N VAL A 6 3.406 3.757 -6.301 1.00 0.00 N ATOM 93 CA VAL A 6 2.804 4.568 -5.241 1.00 0.00 C ATOM 94 C VAL A 6 3.819 4.892 -4.144 1.00 0.00 C ATOM 95 O VAL A 6 4.571 4.019 -3.705 1.00 0.00 O ATOM 96 CB VAL A 6 1.589 3.855 -4.603 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.875 4.777 -3.623 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.628 3.361 -5.677 1.00 0.00 C ATOM 0 H VAL A 6 3.863 2.907 -5.970 1.00 0.00 H new ATOM 0 HA VAL A 6 2.470 5.494 -5.709 1.00 0.00 H new ATOM 0 HB VAL A 6 1.955 2.990 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.024 4.255 -3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.565 5.072 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.525 5.665 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.219 2.863 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.271 4.208 -6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.144 2.659 -6.332 1.00 0.00 H new ATOM 108 N GLU A 7 3.832 6.152 -3.706 1.00 0.00 N ATOM 109 CA GLU A 7 4.750 6.600 -2.660 1.00 0.00 C ATOM 110 C GLU A 7 4.015 7.429 -1.603 1.00 0.00 C ATOM 111 O GLU A 7 3.605 8.561 -1.865 1.00 0.00 O ATOM 112 CB GLU A 7 5.888 7.421 -3.275 1.00 0.00 C ATOM 113 CG GLU A 7 6.809 6.606 -4.169 1.00 0.00 C ATOM 114 CD GLU A 7 7.655 7.468 -5.084 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.463 8.269 -4.568 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.511 7.342 -6.319 1.00 0.00 O ATOM 0 H GLU A 7 3.214 6.882 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 7 5.167 5.719 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.462 8.240 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.476 7.870 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.463 5.994 -3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.211 5.923 -4.772 1.00 0.00 H new ATOM 123 N VAL A 8 3.853 6.857 -0.408 1.00 0.00 N ATOM 124 CA VAL A 8 3.165 7.539 0.688 1.00 0.00 C ATOM 125 C VAL A 8 4.162 8.094 1.707 1.00 0.00 C ATOM 126 O VAL A 8 5.196 7.482 1.976 1.00 0.00 O ATOM 127 CB VAL A 8 2.173 6.598 1.410 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.271 7.387 2.348 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.343 5.811 0.403 1.00 0.00 C ATOM 0 H VAL A 8 4.189 5.923 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 8 2.608 8.364 0.243 1.00 0.00 H new ATOM 0 HB VAL A 8 2.749 5.889 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.580 6.707 2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.880 7.897 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.706 8.123 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.652 5.156 0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.779 6.502 -0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.003 5.211 -0.223 1.00 0.00 H new ATOM 139 N ALA A 9 3.833 9.254 2.273 1.00 0.00 N ATOM 140 CA ALA A 9 4.677 9.907 3.266 1.00 0.00 C ATOM 141 C ALA A 9 4.028 9.862 4.643 1.00 0.00 C ATOM 142 O ALA A 9 3.103 10.623 4.928 1.00 0.00 O ATOM 143 CB ALA A 9 4.950 11.349 2.858 1.00 0.00 C ATOM 0 H ALA A 9 2.977 9.764 2.056 1.00 0.00 H new ATOM 0 HA ALA A 9 5.624 9.369 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.581 11.826 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.457 11.364 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.007 11.890 2.781 1.00 0.00 H new ATOM 149 N ARG A 10 4.521 8.962 5.486 1.00 0.00 N ATOM 150 CA ARG A 10 3.997 8.800 6.845 1.00 0.00 C ATOM 151 C ARG A 10 3.956 10.137 7.585 1.00 0.00 C ATOM 152 O ARG A 10 4.988 10.789 7.766 1.00 0.00 O ATOM 153 CB ARG A 10 4.850 7.800 7.633 1.00 0.00 C ATOM 154 CG ARG A 10 4.054 6.960 8.618 1.00 0.00 C ATOM 155 CD ARG A 10 4.312 7.393 10.055 1.00 0.00 C ATOM 156 NE ARG A 10 3.355 6.798 10.987 1.00 0.00 N ATOM 157 CZ ARG A 10 3.447 6.889 12.317 1.00 0.00 C ATOM 158 NH1 ARG A 10 4.459 7.548 12.882 1.00 0.00 N ATOM 159 NH2 ARG A 10 2.526 6.320 13.087 1.00 0.00 N ATOM 0 H ARG A 10 5.286 8.329 5.255 1.00 0.00 H new ATOM 0 HA ARG A 10 2.979 8.418 6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.358 7.138 6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.624 8.344 8.175 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.990 7.047 8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.320 5.909 8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.324 7.108 10.343 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.256 8.479 10.122 1.00 0.00 H new ATOM 0 HE ARG A 10 2.567 6.281 10.597 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.171 7.988 12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.522 7.613 13.898 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.749 5.814 12.663 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.596 6.389 14.102 1.00 0.00 H new ATOM 173 N GLY A 11 2.756 10.537 8.006 1.00 0.00 N ATOM 174 CA GLY A 11 2.593 11.792 8.720 1.00 0.00 C ATOM 175 C GLY A 11 2.933 11.674 10.194 1.00 0.00 C ATOM 176 O GLY A 11 4.050 11.295 10.550 1.00 0.00 O ATOM 0 H GLY A 11 1.893 10.012 7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.229 12.550 8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.564 12.134 8.615 1.00 0.00 H new ATOM 180 N ARG A 12 1.970 12.000 11.053 1.00 0.00 N ATOM 181 CA ARG A 12 2.171 11.930 12.501 1.00 0.00 C ATOM 182 C ARG A 12 1.280 10.865 13.129 1.00 0.00 C ATOM 183 O ARG A 12 1.716 10.127 14.015 1.00 0.00 O ATOM 184 CB ARG A 12 1.907 13.295 13.146 1.00 0.00 C ATOM 185 CG ARG A 12 3.148 14.167 13.257 1.00 0.00 C ATOM 186 CD ARG A 12 4.103 13.641 14.320 1.00 0.00 C ATOM 187 NE ARG A 12 5.115 14.629 14.693 1.00 0.00 N ATOM 188 CZ ARG A 12 6.168 14.366 15.471 1.00 0.00 C ATOM 189 NH1 ARG A 12 6.358 13.141 15.962 1.00 0.00 N ATOM 190 NH2 ARG A 12 7.035 15.329 15.763 1.00 0.00 N ATOM 0 H ARG A 12 1.041 12.316 10.773 1.00 0.00 H new ATOM 0 HA ARG A 12 3.209 11.652 12.683 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.153 13.823 12.562 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.490 13.142 14.142 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.657 14.202 12.294 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.856 15.188 13.501 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.536 13.353 15.205 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.595 12.741 13.950 1.00 0.00 H new ATOM 0 HE ARG A 12 5.010 15.579 14.336 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.696 12.396 15.744 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.165 12.949 16.555 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.896 16.269 15.393 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.839 15.128 16.357 1.00 0.00 H new ATOM 204 N ALA A 13 0.036 10.780 12.664 1.00 0.00 N ATOM 205 CA ALA A 13 -0.905 9.793 13.184 1.00 0.00 C ATOM 206 C ALA A 13 -1.126 8.648 12.189 1.00 0.00 C ATOM 207 O ALA A 13 -2.198 8.038 12.158 1.00 0.00 O ATOM 208 CB ALA A 13 -2.229 10.460 13.538 1.00 0.00 C ATOM 0 H ALA A 13 -0.342 11.380 11.931 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.474 9.364 14.089 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.921 9.712 13.925 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.060 11.224 14.296 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.654 10.921 12.646 1.00 0.00 H new ATOM 214 N GLY A 14 -0.103 8.357 11.379 1.00 0.00 N ATOM 215 CA GLY A 14 -0.204 7.285 10.401 1.00 0.00 C ATOM 216 C GLY A 14 -0.113 7.784 8.967 1.00 0.00 C ATOM 217 O GLY A 14 0.090 8.977 8.732 1.00 0.00 O ATOM 0 H GLY A 14 0.792 8.846 11.385 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.590 6.560 10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.150 6.761 10.539 1.00 0.00 H new ATOM 221 N TYR A 15 -0.261 6.868 8.010 1.00 0.00 N ATOM 222 CA TYR A 15 -0.197 7.214 6.589 1.00 0.00 C ATOM 223 C TYR A 15 -1.516 7.826 6.122 1.00 0.00 C ATOM 224 O TYR A 15 -1.596 9.024 5.851 1.00 0.00 O ATOM 225 CB TYR A 15 0.126 5.976 5.746 1.00 0.00 C ATOM 226 CG TYR A 15 1.557 5.498 5.858 1.00 0.00 C ATOM 227 CD1 TYR A 15 2.594 6.197 5.258 1.00 0.00 C ATOM 228 CD2 TYR A 15 1.867 4.337 6.557 1.00 0.00 C ATOM 229 CE1 TYR A 15 3.899 5.757 5.348 1.00 0.00 C ATOM 230 CE2 TYR A 15 3.171 3.890 6.653 1.00 0.00 C ATOM 231 CZ TYR A 15 4.184 4.603 6.045 1.00 0.00 C ATOM 232 OH TYR A 15 5.484 4.159 6.133 1.00 0.00 O ATOM 0 H TYR A 15 -0.426 5.878 8.193 1.00 0.00 H new ATOM 0 HA TYR A 15 0.598 7.948 6.458 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.539 5.165 6.044 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.089 6.197 4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.376 7.102 4.710 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.076 3.776 7.032 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.693 6.315 4.874 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.396 2.987 7.201 1.00 0.00 H new ATOM 0 HH TYR A 15 5.499 3.269 6.542 1.00 0.00 H new ATOM 242 N GLY A 16 -2.544 6.984 6.027 1.00 0.00 N ATOM 243 CA GLY A 16 -3.854 7.441 5.593 1.00 0.00 C ATOM 244 C GLY A 16 -4.567 6.433 4.712 1.00 0.00 C ATOM 245 O GLY A 16 -5.076 6.783 3.645 1.00 0.00 O ATOM 0 H GLY A 16 -2.492 5.989 6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.469 7.650 6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.744 8.379 5.049 1.00 0.00 H new ATOM 249 N PHE A 17 -4.607 5.181 5.159 1.00 0.00 N ATOM 250 CA PHE A 17 -5.266 4.112 4.410 1.00 0.00 C ATOM 251 C PHE A 17 -5.579 2.922 5.317 1.00 0.00 C ATOM 252 O PHE A 17 -5.147 2.880 6.471 1.00 0.00 O ATOM 253 CB PHE A 17 -4.388 3.667 3.232 1.00 0.00 C ATOM 254 CG PHE A 17 -3.100 3.004 3.642 1.00 0.00 C ATOM 255 CD1 PHE A 17 -1.968 3.758 3.906 1.00 0.00 C ATOM 256 CD2 PHE A 17 -3.025 1.624 3.768 1.00 0.00 C ATOM 257 CE1 PHE A 17 -0.787 3.151 4.287 1.00 0.00 C ATOM 258 CE2 PHE A 17 -1.845 1.012 4.148 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.725 1.777 4.409 1.00 0.00 C ATOM 0 H PHE A 17 -4.189 4.880 6.040 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.207 4.500 4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.957 2.977 2.609 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.157 4.536 2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.009 4.833 3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.898 1.021 3.567 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.088 3.751 4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.799 -0.063 4.241 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.197 1.301 4.708 1.00 0.00 H new ATOM 269 N THR A 18 -6.334 1.958 4.788 1.00 0.00 N ATOM 270 CA THR A 18 -6.708 0.767 5.548 1.00 0.00 C ATOM 271 C THR A 18 -6.330 -0.504 4.790 1.00 0.00 C ATOM 272 O THR A 18 -6.598 -0.628 3.591 1.00 0.00 O ATOM 273 CB THR A 18 -8.211 0.774 5.850 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.662 2.090 6.134 1.00 0.00 O ATOM 275 CG2 THR A 18 -8.592 -0.103 7.025 1.00 0.00 C ATOM 0 H THR A 18 -6.698 1.980 3.835 1.00 0.00 H new ATOM 0 HA THR A 18 -6.160 0.782 6.490 1.00 0.00 H new ATOM 0 HB THR A 18 -8.685 0.378 4.952 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.624 2.073 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.669 -0.051 7.183 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.305 -1.134 6.818 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.077 0.244 7.920 1.00 0.00 H new ATOM 283 N LEU A 19 -5.704 -1.446 5.496 1.00 0.00 N ATOM 284 CA LEU A 19 -5.281 -2.711 4.899 1.00 0.00 C ATOM 285 C LEU A 19 -6.030 -3.891 5.516 1.00 0.00 C ATOM 286 O LEU A 19 -6.010 -4.081 6.734 1.00 0.00 O ATOM 287 CB LEU A 19 -3.771 -2.901 5.086 1.00 0.00 C ATOM 288 CG LEU A 19 -2.925 -2.736 3.821 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.445 -2.858 4.152 1.00 0.00 C ATOM 290 CD2 LEU A 19 -3.326 -3.762 2.773 1.00 0.00 C ATOM 0 H LEU A 19 -5.478 -1.355 6.487 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.515 -2.676 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.422 -2.186 5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.595 -3.897 5.492 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.105 -1.742 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.858 -2.738 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.167 -2.084 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.249 -3.839 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.714 -3.629 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.175 -4.766 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.377 -3.628 2.515 1.00 0.00 H new ATOM 302 N SER A 20 -6.682 -4.686 4.667 1.00 0.00 N ATOM 303 CA SER A 20 -7.435 -5.857 5.129 1.00 0.00 C ATOM 304 C SER A 20 -7.200 -7.080 4.240 1.00 0.00 C ATOM 305 O SER A 20 -7.958 -8.051 4.292 1.00 0.00 O ATOM 306 CB SER A 20 -8.925 -5.541 5.166 1.00 0.00 C ATOM 307 OG SER A 20 -9.264 -4.773 6.311 1.00 0.00 O ATOM 0 H SER A 20 -6.705 -4.543 3.657 1.00 0.00 H new ATOM 0 HA SER A 20 -7.077 -6.094 6.131 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.205 -4.996 4.265 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.495 -6.470 5.167 1.00 0.00 H new ATOM 0 HG SER A 20 -10.226 -4.585 6.306 1.00 0.00 H new ATOM 313 N GLY A 21 -6.149 -7.027 3.434 1.00 0.00 N ATOM 314 CA GLY A 21 -5.828 -8.131 2.548 1.00 0.00 C ATOM 315 C GLY A 21 -4.994 -9.198 3.231 1.00 0.00 C ATOM 316 O GLY A 21 -3.766 -9.181 3.137 1.00 0.00 O ATOM 0 H GLY A 21 -5.509 -6.235 3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.751 -8.577 2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.288 -7.752 1.681 1.00 0.00 H new ATOM 320 N GLN A 22 -5.666 -10.125 3.923 1.00 0.00 N ATOM 321 CA GLN A 22 -4.984 -11.215 4.632 1.00 0.00 C ATOM 322 C GLN A 22 -3.869 -11.814 3.774 1.00 0.00 C ATOM 323 O GLN A 22 -2.687 -11.676 4.093 1.00 0.00 O ATOM 324 CB GLN A 22 -5.991 -12.303 5.032 1.00 0.00 C ATOM 325 CG GLN A 22 -5.626 -13.035 6.314 1.00 0.00 C ATOM 326 CD GLN A 22 -4.306 -13.777 6.206 1.00 0.00 C ATOM 327 OE1 GLN A 22 -4.247 -14.886 5.677 1.00 0.00 O ATOM 328 NE2 GLN A 22 -3.238 -13.165 6.706 1.00 0.00 N ATOM 0 H GLN A 22 -6.682 -10.143 4.007 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.533 -10.803 5.535 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.975 -11.849 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.071 -13.027 4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.570 -12.319 7.134 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.417 -13.742 6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.332 -12.245 7.136 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.324 -13.615 6.660 1.00 0.00 H new ATOM 337 N ALA A 23 -4.258 -12.457 2.678 1.00 0.00 N ATOM 338 CA ALA A 23 -3.300 -13.054 1.753 1.00 0.00 C ATOM 339 C ALA A 23 -2.936 -12.053 0.654 1.00 0.00 C ATOM 340 O ALA A 23 -1.770 -11.686 0.507 1.00 0.00 O ATOM 341 CB ALA A 23 -3.854 -14.344 1.156 1.00 0.00 C ATOM 0 H ALA A 23 -5.234 -12.579 2.407 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.394 -13.306 2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.123 -14.771 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.060 -15.056 1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.776 -14.128 0.616 1.00 0.00 H new ATOM 347 N PRO A 24 -3.938 -11.575 -0.122 1.00 0.00 N ATOM 348 CA PRO A 24 -3.720 -10.601 -1.187 1.00 0.00 C ATOM 349 C PRO A 24 -3.813 -9.167 -0.666 1.00 0.00 C ATOM 350 O PRO A 24 -4.906 -8.602 -0.573 1.00 0.00 O ATOM 351 CB PRO A 24 -4.864 -10.907 -2.148 1.00 0.00 C ATOM 352 CG PRO A 24 -5.989 -11.347 -1.269 1.00 0.00 C ATOM 353 CD PRO A 24 -5.368 -11.935 -0.020 1.00 0.00 C ATOM 0 HA PRO A 24 -2.731 -10.673 -1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.137 -10.028 -2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.587 -11.687 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.636 -10.506 -1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.609 -12.086 -1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.819 -11.521 0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.505 -13.016 0.022 1.00 0.00 H new ATOM 361 N CYS A 25 -2.665 -8.587 -0.315 1.00 0.00 N ATOM 362 CA CYS A 25 -2.620 -7.222 0.210 1.00 0.00 C ATOM 363 C CYS A 25 -3.380 -6.267 -0.706 1.00 0.00 C ATOM 364 O CYS A 25 -3.100 -6.184 -1.901 1.00 0.00 O ATOM 365 CB CYS A 25 -1.174 -6.750 0.375 1.00 0.00 C ATOM 366 SG CYS A 25 -0.126 -7.883 1.316 1.00 0.00 S ATOM 0 H CYS A 25 -1.754 -9.041 -0.385 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.099 -7.224 1.189 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.737 -6.604 -0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.175 -5.779 0.870 1.00 0.00 H new ATOM 0 HG CYS A 25 -0.245 -7.631 2.586 1.00 0.00 H new ATOM 372 N VAL A 26 -4.352 -5.557 -0.139 1.00 0.00 N ATOM 373 CA VAL A 26 -5.160 -4.617 -0.906 1.00 0.00 C ATOM 374 C VAL A 26 -5.723 -3.512 -0.016 1.00 0.00 C ATOM 375 O VAL A 26 -6.111 -3.758 1.129 1.00 0.00 O ATOM 376 CB VAL A 26 -6.314 -5.343 -1.637 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.215 -6.073 -0.650 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.116 -4.370 -2.489 1.00 0.00 C ATOM 0 H VAL A 26 -4.598 -5.616 0.849 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.506 -4.161 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.873 -6.087 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.017 -6.574 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.631 -6.812 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.643 -5.356 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.921 -4.905 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.539 -3.593 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.463 -3.914 -3.233 1.00 0.00 H new ATOM 388 N LEU A 27 -5.763 -2.294 -0.551 1.00 0.00 N ATOM 389 CA LEU A 27 -6.274 -1.145 0.193 1.00 0.00 C ATOM 390 C LEU A 27 -7.800 -1.127 0.180 1.00 0.00 C ATOM 391 O LEU A 27 -8.414 -0.534 -0.709 1.00 0.00 O ATOM 392 CB LEU A 27 -5.730 0.160 -0.392 1.00 0.00 C ATOM 393 CG LEU A 27 -4.323 0.543 0.068 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.297 0.183 -0.995 1.00 0.00 C ATOM 395 CD2 LEU A 27 -4.253 2.028 0.396 1.00 0.00 C ATOM 0 H LEU A 27 -5.448 -2.077 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.936 -1.235 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.730 0.080 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.413 0.969 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.093 -0.020 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.302 0.463 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.328 -0.890 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.525 0.718 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.244 2.282 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.505 2.609 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.960 2.258 1.193 1.00 0.00 H new ATOM 407 N SER A 28 -8.406 -1.782 1.168 1.00 0.00 N ATOM 408 CA SER A 28 -9.863 -1.844 1.277 1.00 0.00 C ATOM 409 C SER A 28 -10.482 -0.444 1.320 1.00 0.00 C ATOM 410 O SER A 28 -11.571 -0.225 0.785 1.00 0.00 O ATOM 411 CB SER A 28 -10.272 -2.634 2.524 1.00 0.00 C ATOM 412 OG SER A 28 -9.244 -2.627 3.501 1.00 0.00 O ATOM 0 H SER A 28 -7.909 -2.279 1.907 1.00 0.00 H new ATOM 0 HA SER A 28 -10.239 -2.354 0.390 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.181 -2.205 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.504 -3.662 2.245 1.00 0.00 H new ATOM 0 HG SER A 28 -9.624 -2.844 4.378 1.00 0.00 H new ATOM 418 N CYS A 29 -9.783 0.497 1.956 1.00 0.00 N ATOM 419 CA CYS A 29 -10.266 1.871 2.066 1.00 0.00 C ATOM 420 C CYS A 29 -9.107 2.857 2.212 1.00 0.00 C ATOM 421 O CYS A 29 -8.043 2.507 2.727 1.00 0.00 O ATOM 422 CB CYS A 29 -11.216 2.002 3.259 1.00 0.00 C ATOM 423 SG CYS A 29 -11.999 3.626 3.409 1.00 0.00 S ATOM 0 H CYS A 29 -8.881 0.331 2.402 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.803 2.112 1.149 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.993 1.243 3.175 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.663 1.792 4.174 1.00 0.00 H new ATOM 0 HG CYS A 29 -12.784 3.635 4.445 1.00 0.00 H new ATOM 429 N VAL A 30 -9.323 4.094 1.756 1.00 0.00 N ATOM 430 CA VAL A 30 -8.306 5.139 1.839 1.00 0.00 C ATOM 431 C VAL A 30 -8.838 6.352 2.601 1.00 0.00 C ATOM 432 O VAL A 30 -10.049 6.583 2.648 1.00 0.00 O ATOM 433 CB VAL A 30 -7.832 5.592 0.435 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.562 6.425 0.536 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.613 4.391 -0.479 1.00 0.00 C ATOM 0 H VAL A 30 -10.197 4.394 1.325 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.457 4.713 2.373 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.615 6.213 0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.248 6.732 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.754 7.309 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.773 5.831 0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.281 4.735 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.854 3.738 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.547 3.840 -0.586 1.00 0.00 H new ATOM 445 N MET A 31 -7.930 7.125 3.195 1.00 0.00 N ATOM 446 CA MET A 31 -8.305 8.310 3.951 1.00 0.00 C ATOM 447 C MET A 31 -8.134 9.560 3.102 1.00 0.00 C ATOM 448 O MET A 31 -7.025 10.073 2.934 1.00 0.00 O ATOM 449 CB MET A 31 -7.476 8.429 5.227 1.00 0.00 C ATOM 450 CG MET A 31 -7.535 7.197 6.117 1.00 0.00 C ATOM 451 SD MET A 31 -6.825 7.484 7.749 1.00 0.00 S ATOM 452 CE MET A 31 -7.470 6.076 8.650 1.00 0.00 C ATOM 0 H MET A 31 -6.926 6.947 3.165 1.00 0.00 H new ATOM 0 HA MET A 31 -9.354 8.212 4.229 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.437 8.621 4.957 1.00 0.00 H new ATOM 0 HB3 MET A 31 -7.823 9.292 5.795 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.573 6.882 6.227 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.003 6.378 5.633 1.00 0.00 H new ATOM 0 HE1 MET A 31 -7.118 6.111 9.681 1.00 0.00 H new ATOM 0 HE2 MET A 31 -8.560 6.104 8.637 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.125 5.155 8.180 1.00 0.00 H new ATOM 462 N ARG A 32 -9.250 10.034 2.570 1.00 0.00 N ATOM 463 CA ARG A 32 -9.272 11.227 1.726 1.00 0.00 C ATOM 464 C ARG A 32 -8.647 12.416 2.450 1.00 0.00 C ATOM 465 O ARG A 32 -9.081 12.787 3.543 1.00 0.00 O ATOM 466 CB ARG A 32 -10.709 11.568 1.319 1.00 0.00 C ATOM 467 CG ARG A 32 -11.527 10.373 0.854 1.00 0.00 C ATOM 468 CD ARG A 32 -12.698 10.101 1.788 1.00 0.00 C ATOM 469 NE ARG A 32 -13.795 9.410 1.112 1.00 0.00 N ATOM 470 CZ ARG A 32 -14.654 10.004 0.276 1.00 0.00 C ATOM 471 NH1 ARG A 32 -14.535 11.300 -0.009 1.00 0.00 N ATOM 472 NH2 ARG A 32 -15.631 9.296 -0.280 1.00 0.00 N ATOM 0 H ARG A 32 -10.166 9.607 2.708 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.687 11.016 0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.214 12.032 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.682 12.308 0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.899 10.556 -0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.888 9.491 0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.356 9.500 2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.062 11.044 2.196 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.913 8.412 1.289 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.784 11.848 0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.195 11.744 -0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.725 8.302 -0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.288 9.746 -0.918 1.00 0.00 H new ATOM 486 N GLY A 33 -7.625 13.006 1.835 1.00 0.00 N ATOM 487 CA GLY A 33 -6.946 14.142 2.437 1.00 0.00 C ATOM 488 C GLY A 33 -5.551 13.799 2.932 1.00 0.00 C ATOM 489 O GLY A 33 -4.719 14.687 3.117 1.00 0.00 O ATOM 0 H GLY A 33 -7.254 12.718 0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.879 14.948 1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.541 14.515 3.271 1.00 0.00 H new ATOM 493 N SER A 34 -5.293 12.507 3.134 1.00 0.00 N ATOM 494 CA SER A 34 -3.987 12.050 3.595 1.00 0.00 C ATOM 495 C SER A 34 -3.053 11.830 2.402 1.00 0.00 C ATOM 496 O SER A 34 -3.503 11.789 1.255 1.00 0.00 O ATOM 497 CB SER A 34 -4.135 10.752 4.397 1.00 0.00 C ATOM 498 OG SER A 34 -4.172 11.013 5.791 1.00 0.00 O ATOM 0 H SER A 34 -5.972 11.761 2.985 1.00 0.00 H new ATOM 0 HA SER A 34 -3.556 12.815 4.241 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.048 10.237 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.303 10.085 4.171 1.00 0.00 H new ATOM 0 HG SER A 34 -4.268 10.169 6.279 1.00 0.00 H new ATOM 504 N PRO A 35 -1.737 11.676 2.654 1.00 0.00 N ATOM 505 CA PRO A 35 -0.744 11.451 1.590 1.00 0.00 C ATOM 506 C PRO A 35 -1.083 10.241 0.714 1.00 0.00 C ATOM 507 O PRO A 35 -0.671 10.173 -0.445 1.00 0.00 O ATOM 508 CB PRO A 35 0.569 11.210 2.352 1.00 0.00 C ATOM 509 CG PRO A 35 0.169 10.948 3.765 1.00 0.00 C ATOM 510 CD PRO A 35 -1.108 11.704 3.983 1.00 0.00 C ATOM 0 HA PRO A 35 -0.700 12.296 0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.115 10.363 1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.226 12.077 2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.025 9.881 3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.942 11.281 4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.735 11.229 4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.921 12.724 4.320 1.00 0.00 H new ATOM 518 N ALA A 36 -1.843 9.296 1.274 1.00 0.00 N ATOM 519 CA ALA A 36 -2.246 8.096 0.544 1.00 0.00 C ATOM 520 C ALA A 36 -3.131 8.453 -0.651 1.00 0.00 C ATOM 521 O ALA A 36 -2.892 7.996 -1.770 1.00 0.00 O ATOM 522 CB ALA A 36 -2.967 7.127 1.471 1.00 0.00 C ATOM 0 H ALA A 36 -2.191 9.341 2.232 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.346 7.611 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.260 6.239 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.302 6.840 2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.855 7.608 1.880 1.00 0.00 H new ATOM 528 N ASP A 37 -4.147 9.277 -0.403 1.00 0.00 N ATOM 529 CA ASP A 37 -5.068 9.707 -1.455 1.00 0.00 C ATOM 530 C ASP A 37 -4.382 10.657 -2.440 1.00 0.00 C ATOM 531 O ASP A 37 -4.753 10.716 -3.614 1.00 0.00 O ATOM 532 CB ASP A 37 -6.297 10.385 -0.847 1.00 0.00 C ATOM 533 CG ASP A 37 -7.590 9.946 -1.505 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.977 10.560 -2.522 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.215 8.987 -1.006 1.00 0.00 O ATOM 0 H ASP A 37 -4.354 9.661 0.519 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.385 8.818 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.341 10.160 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.195 11.466 -0.941 1.00 0.00 H new ATOM 540 N PHE A 38 -3.385 11.402 -1.955 1.00 0.00 N ATOM 541 CA PHE A 38 -2.645 12.351 -2.791 1.00 0.00 C ATOM 542 C PHE A 38 -2.025 11.666 -4.011 1.00 0.00 C ATOM 543 O PHE A 38 -1.910 12.271 -5.077 1.00 0.00 O ATOM 544 CB PHE A 38 -1.543 13.034 -1.976 1.00 0.00 C ATOM 545 CG PHE A 38 -2.040 14.007 -0.935 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.391 14.301 -0.811 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.144 14.629 -0.080 1.00 0.00 C ATOM 548 CE1 PHE A 38 -3.835 15.194 0.145 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.584 15.523 0.877 1.00 0.00 C ATOM 550 CZ PHE A 38 -2.930 15.806 0.991 1.00 0.00 C ATOM 0 H PHE A 38 -3.071 11.366 -0.985 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.357 13.097 -3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.947 12.267 -1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.879 13.562 -2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.103 13.826 -1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.089 14.412 -0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.889 15.414 0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.874 16.001 1.536 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.275 16.504 1.739 1.00 0.00 H new ATOM 560 N VAL A 39 -1.625 10.405 -3.848 1.00 0.00 N ATOM 561 CA VAL A 39 -1.018 9.643 -4.938 1.00 0.00 C ATOM 562 C VAL A 39 -2.083 8.911 -5.755 1.00 0.00 C ATOM 563 O VAL A 39 -1.918 8.701 -6.958 1.00 0.00 O ATOM 564 CB VAL A 39 0.003 8.610 -4.410 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.756 7.960 -5.561 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.971 9.258 -3.428 1.00 0.00 C ATOM 0 H VAL A 39 -1.711 9.890 -2.972 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.500 10.362 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.546 7.831 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.469 7.236 -5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.049 7.452 -6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.290 8.725 -6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.680 8.512 -3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.512 10.062 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.415 9.665 -2.583 1.00 0.00 H new ATOM 576 N GLY A 40 -3.172 8.522 -5.092 1.00 0.00 N ATOM 577 CA GLY A 40 -4.242 7.814 -5.767 1.00 0.00 C ATOM 578 C GLY A 40 -4.153 6.314 -5.564 1.00 0.00 C ATOM 579 O GLY A 40 -4.177 5.549 -6.527 1.00 0.00 O ATOM 0 H GLY A 40 -3.329 8.686 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.203 8.173 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.207 8.037 -6.833 1.00 0.00 H new ATOM 583 N LEU A 41 -4.043 5.894 -4.301 1.00 0.00 N ATOM 584 CA LEU A 41 -3.948 4.473 -3.965 1.00 0.00 C ATOM 585 C LEU A 41 -5.172 3.696 -4.455 1.00 0.00 C ATOM 586 O LEU A 41 -5.085 2.495 -4.701 1.00 0.00 O ATOM 587 CB LEU A 41 -3.784 4.294 -2.453 1.00 0.00 C ATOM 588 CG LEU A 41 -2.336 4.287 -1.952 1.00 0.00 C ATOM 589 CD1 LEU A 41 -2.272 4.741 -0.501 1.00 0.00 C ATOM 590 CD2 LEU A 41 -1.723 2.904 -2.108 1.00 0.00 C ATOM 0 H LEU A 41 -4.018 6.519 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.070 4.072 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.323 5.095 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.258 3.357 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.759 4.987 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.236 4.730 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.670 5.752 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.864 4.066 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.695 2.919 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.300 2.183 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.734 2.618 -3.160 1.00 0.00 H new ATOM 602 N ARG A 42 -6.307 4.395 -4.595 1.00 0.00 N ATOM 603 CA ARG A 42 -7.553 3.786 -5.059 1.00 0.00 C ATOM 604 C ARG A 42 -8.098 2.777 -4.050 1.00 0.00 C ATOM 605 O ARG A 42 -7.448 1.779 -3.738 1.00 0.00 O ATOM 606 CB ARG A 42 -7.352 3.107 -6.418 1.00 0.00 C ATOM 607 CG ARG A 42 -7.639 4.013 -7.602 1.00 0.00 C ATOM 608 CD ARG A 42 -7.024 3.470 -8.880 1.00 0.00 C ATOM 609 NE ARG A 42 -7.789 3.859 -10.064 1.00 0.00 N ATOM 610 CZ ARG A 42 -7.720 5.062 -10.640 1.00 0.00 C ATOM 611 NH1 ARG A 42 -6.920 6.005 -10.142 1.00 0.00 N ATOM 612 NH2 ARG A 42 -8.450 5.322 -11.719 1.00 0.00 N ATOM 0 H ARG A 42 -6.383 5.391 -4.390 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.284 4.588 -5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.325 2.749 -6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.999 2.232 -6.476 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.717 4.115 -7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.246 5.010 -7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.001 3.834 -8.973 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.971 2.383 -8.824 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.415 3.167 -10.476 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.355 5.810 -9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.873 6.921 -10.588 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.062 4.604 -12.106 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.399 6.240 -12.160 1.00 0.00 H new ATOM 626 N ALA A 43 -9.311 3.041 -3.554 1.00 0.00 N ATOM 627 CA ALA A 43 -9.961 2.154 -2.593 1.00 0.00 C ATOM 628 C ALA A 43 -10.316 0.822 -3.250 1.00 0.00 C ATOM 629 O ALA A 43 -11.407 0.662 -3.805 1.00 0.00 O ATOM 630 CB ALA A 43 -11.209 2.815 -2.014 1.00 0.00 C ATOM 0 H ALA A 43 -9.860 3.863 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.265 1.960 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.680 2.140 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.930 3.740 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.909 3.038 -2.819 1.00 0.00 H new ATOM 636 N GLY A 44 -9.381 -0.123 -3.202 1.00 0.00 N ATOM 637 CA GLY A 44 -9.597 -1.428 -3.806 1.00 0.00 C ATOM 638 C GLY A 44 -8.419 -1.891 -4.655 1.00 0.00 C ATOM 639 O GLY A 44 -8.349 -3.061 -5.033 1.00 0.00 O ATOM 0 H GLY A 44 -8.472 -0.008 -2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.782 -2.160 -3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.493 -1.392 -4.426 1.00 0.00 H new ATOM 643 N ASP A 45 -7.491 -0.972 -4.950 1.00 0.00 N ATOM 644 CA ASP A 45 -6.312 -1.291 -5.751 1.00 0.00 C ATOM 645 C ASP A 45 -5.506 -2.410 -5.097 1.00 0.00 C ATOM 646 O ASP A 45 -5.170 -2.335 -3.912 1.00 0.00 O ATOM 647 CB ASP A 45 -5.442 -0.044 -5.928 1.00 0.00 C ATOM 648 CG ASP A 45 -4.805 0.039 -7.299 1.00 0.00 C ATOM 649 OD1 ASP A 45 -4.026 -0.868 -7.646 1.00 0.00 O ATOM 650 OD2 ASP A 45 -5.086 1.012 -8.028 1.00 0.00 O ATOM 0 H ASP A 45 -7.538 -0.000 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.642 -1.633 -6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.051 0.845 -5.761 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.660 -0.042 -5.169 1.00 0.00 H new ATOM 655 N GLN A 46 -5.216 -3.451 -5.870 1.00 0.00 N ATOM 656 CA GLN A 46 -4.464 -4.600 -5.367 1.00 0.00 C ATOM 657 C GLN A 46 -2.990 -4.264 -5.160 1.00 0.00 C ATOM 658 O GLN A 46 -2.317 -3.788 -6.073 1.00 0.00 O ATOM 659 CB GLN A 46 -4.602 -5.780 -6.332 1.00 0.00 C ATOM 660 CG GLN A 46 -5.004 -7.076 -5.647 1.00 0.00 C ATOM 661 CD GLN A 46 -4.022 -8.206 -5.900 1.00 0.00 C ATOM 662 OE1 GLN A 46 -2.812 -7.990 -5.961 1.00 0.00 O ATOM 663 NE2 GLN A 46 -4.541 -9.421 -6.046 1.00 0.00 N ATOM 0 H GLN A 46 -5.490 -3.525 -6.850 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.882 -4.872 -4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.344 -5.534 -7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.654 -5.930 -6.849 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.084 -6.904 -4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.992 -7.375 -5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.551 -9.555 -5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.930 -10.220 -6.216 1.00 0.00 H new ATOM 672 N ILE A 47 -2.496 -4.532 -3.952 1.00 0.00 N ATOM 673 CA ILE A 47 -1.099 -4.278 -3.608 1.00 0.00 C ATOM 674 C ILE A 47 -0.241 -5.508 -3.901 1.00 0.00 C ATOM 675 O ILE A 47 -0.586 -6.623 -3.506 1.00 0.00 O ATOM 676 CB ILE A 47 -0.941 -3.905 -2.117 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.939 -2.813 -1.723 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.484 -3.453 -1.831 1.00 0.00 C ATOM 679 CD1 ILE A 47 -2.235 -2.775 -0.239 1.00 0.00 C ATOM 0 H ILE A 47 -3.048 -4.928 -3.191 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.766 -3.439 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.151 -4.791 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.547 -1.844 -2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.870 -2.969 -2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.579 -3.194 -0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.177 -4.260 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.719 -2.581 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.949 -1.978 -0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.657 -3.731 0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.313 -2.589 0.311 1.00 0.00 H new ATOM 691 N LEU A 48 0.875 -5.296 -4.594 1.00 0.00 N ATOM 692 CA LEU A 48 1.782 -6.392 -4.941 1.00 0.00 C ATOM 693 C LEU A 48 3.171 -6.180 -4.333 1.00 0.00 C ATOM 694 O LEU A 48 3.767 -7.114 -3.797 1.00 0.00 O ATOM 695 CB LEU A 48 1.874 -6.539 -6.464 1.00 0.00 C ATOM 696 CG LEU A 48 0.535 -6.775 -7.171 1.00 0.00 C ATOM 697 CD1 LEU A 48 -0.155 -5.452 -7.475 1.00 0.00 C ATOM 698 CD2 LEU A 48 0.734 -7.580 -8.449 1.00 0.00 C ATOM 0 H LEU A 48 1.174 -4.379 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 48 1.377 -7.313 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.331 -5.639 -6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.542 -7.369 -6.695 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.105 -7.349 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.104 -5.643 -7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.339 -4.915 -6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.483 -4.849 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.229 -7.736 -8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.396 -7.036 -9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.178 -8.545 -8.206 1.00 0.00 H new ATOM 710 N ALA A 49 3.675 -4.950 -4.420 1.00 0.00 N ATOM 711 CA ALA A 49 4.990 -4.613 -3.875 1.00 0.00 C ATOM 712 C ALA A 49 4.859 -3.729 -2.634 1.00 0.00 C ATOM 713 O ALA A 49 4.053 -2.795 -2.612 1.00 0.00 O ATOM 714 CB ALA A 49 5.839 -3.922 -4.931 1.00 0.00 C ATOM 0 H ALA A 49 3.192 -4.169 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 49 5.483 -5.539 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.814 -3.677 -4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.968 -4.586 -5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.343 -3.007 -5.255 1.00 0.00 H new ATOM 720 N VAL A 50 5.656 -4.025 -1.608 1.00 0.00 N ATOM 721 CA VAL A 50 5.640 -3.257 -0.361 1.00 0.00 C ATOM 722 C VAL A 50 7.046 -3.157 0.216 1.00 0.00 C ATOM 723 O VAL A 50 7.616 -4.159 0.651 1.00 0.00 O ATOM 724 CB VAL A 50 4.708 -3.888 0.702 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.331 -2.860 1.757 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.459 -4.476 0.056 1.00 0.00 C ATOM 0 H VAL A 50 6.325 -4.795 -1.615 1.00 0.00 H new ATOM 0 HA VAL A 50 5.260 -2.265 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 50 5.250 -4.700 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.676 -3.321 2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.233 -2.496 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.814 -2.026 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.822 -4.912 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.913 -3.688 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.747 -5.248 -0.657 1.00 0.00 H new ATOM 736 N ASN A 51 7.611 -1.945 0.191 1.00 0.00 N ATOM 737 CA ASN A 51 8.966 -1.711 0.691 1.00 0.00 C ATOM 738 C ASN A 51 9.985 -2.211 -0.335 1.00 0.00 C ATOM 739 O ASN A 51 11.036 -2.744 0.019 1.00 0.00 O ATOM 740 CB ASN A 51 9.178 -2.400 2.049 1.00 0.00 C ATOM 741 CG ASN A 51 10.334 -1.810 2.834 1.00 0.00 C ATOM 742 OD1 ASN A 51 11.372 -2.450 3.006 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.159 -0.587 3.325 1.00 0.00 N ATOM 0 H ASN A 51 7.148 -1.111 -0.171 1.00 0.00 H new ATOM 0 HA ASN A 51 9.106 -0.640 0.839 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.265 -2.318 2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.359 -3.463 1.888 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.901 -0.144 3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.283 -0.091 3.159 1.00 0.00 H new ATOM 750 N GLU A 52 9.634 -2.041 -1.616 1.00 0.00 N ATOM 751 CA GLU A 52 10.469 -2.463 -2.745 1.00 0.00 C ATOM 752 C GLU A 52 10.508 -3.994 -2.901 1.00 0.00 C ATOM 753 O GLU A 52 11.159 -4.508 -3.811 1.00 0.00 O ATOM 754 CB GLU A 52 11.891 -1.881 -2.636 1.00 0.00 C ATOM 755 CG GLU A 52 12.935 -2.819 -2.033 1.00 0.00 C ATOM 756 CD GLU A 52 14.323 -2.587 -2.601 1.00 0.00 C ATOM 757 OE1 GLU A 52 15.051 -1.730 -2.057 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.678 -3.258 -3.593 1.00 0.00 O ATOM 0 H GLU A 52 8.757 -1.604 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 52 10.007 -2.062 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.223 -1.587 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.850 -0.974 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.961 -2.682 -0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.639 -3.852 -2.216 1.00 0.00 H new ATOM 765 N ILE A 53 9.809 -4.715 -2.020 1.00 0.00 N ATOM 766 CA ILE A 53 9.773 -6.172 -2.080 1.00 0.00 C ATOM 767 C ILE A 53 8.342 -6.681 -2.247 1.00 0.00 C ATOM 768 O ILE A 53 7.456 -6.344 -1.459 1.00 0.00 O ATOM 769 CB ILE A 53 10.396 -6.812 -0.818 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.878 -6.131 0.455 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.915 -6.732 -0.883 1.00 0.00 C ATOM 772 CD1 ILE A 53 10.269 -6.849 1.729 1.00 0.00 C ATOM 0 H ILE A 53 9.263 -4.311 -1.259 1.00 0.00 H new ATOM 0 HA ILE A 53 10.364 -6.464 -2.948 1.00 0.00 H new ATOM 0 HB ILE A 53 10.100 -7.861 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.259 -5.110 0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.791 -6.064 0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.342 -7.186 0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.270 -7.265 -1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.222 -5.688 -0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.868 -6.311 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.865 -7.861 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.356 -6.893 1.803 1.00 0.00 H new ATOM 784 N ASN A 54 8.127 -7.494 -3.282 1.00 0.00 N ATOM 785 CA ASN A 54 6.815 -8.056 -3.562 1.00 0.00 C ATOM 786 C ASN A 54 6.414 -9.065 -2.491 1.00 0.00 C ATOM 787 O ASN A 54 7.217 -9.422 -1.624 1.00 0.00 O ATOM 788 CB ASN A 54 6.810 -8.726 -4.942 1.00 0.00 C ATOM 789 CG ASN A 54 6.275 -7.813 -6.030 1.00 0.00 C ATOM 790 OD1 ASN A 54 6.819 -6.737 -6.276 1.00 0.00 O ATOM 791 ND2 ASN A 54 5.204 -8.240 -6.689 1.00 0.00 N ATOM 0 H ASN A 54 8.853 -7.776 -3.941 1.00 0.00 H new ATOM 0 HA ASN A 54 6.089 -7.243 -3.556 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.824 -9.033 -5.197 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.204 -9.631 -4.901 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.801 -7.669 -7.432 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.785 -9.139 -6.452 1.00 0.00 H new ATOM 798 N VAL A 55 5.168 -9.520 -2.556 1.00 0.00 N ATOM 799 CA VAL A 55 4.655 -10.487 -1.587 1.00 0.00 C ATOM 800 C VAL A 55 3.798 -11.566 -2.249 1.00 0.00 C ATOM 801 O VAL A 55 4.024 -12.758 -2.037 1.00 0.00 O ATOM 802 CB VAL A 55 3.840 -9.795 -0.468 1.00 0.00 C ATOM 803 CG1 VAL A 55 4.773 -9.123 0.530 1.00 0.00 C ATOM 804 CG2 VAL A 55 2.855 -8.784 -1.045 1.00 0.00 C ATOM 0 H VAL A 55 4.494 -9.237 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 55 5.529 -10.965 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 55 3.265 -10.561 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.185 -8.641 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.426 -9.871 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.377 -8.375 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.298 -8.315 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.400 -8.020 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.162 -9.293 -1.715 1.00 0.00 H new ATOM 814 N LYS A 56 2.811 -11.139 -3.039 1.00 0.00 N ATOM 815 CA LYS A 56 1.894 -12.047 -3.739 1.00 0.00 C ATOM 816 C LYS A 56 0.924 -12.697 -2.761 1.00 0.00 C ATOM 817 O LYS A 56 -0.292 -12.538 -2.880 1.00 0.00 O ATOM 818 CB LYS A 56 2.663 -13.121 -4.522 1.00 0.00 C ATOM 819 CG LYS A 56 3.735 -12.562 -5.446 1.00 0.00 C ATOM 820 CD LYS A 56 3.436 -12.867 -6.905 1.00 0.00 C ATOM 821 CE LYS A 56 4.023 -11.812 -7.829 1.00 0.00 C ATOM 822 NZ LYS A 56 3.072 -11.420 -8.906 1.00 0.00 N ATOM 0 H LYS A 56 2.623 -10.152 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 56 1.322 -11.453 -4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.129 -13.808 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.955 -13.702 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.808 -11.483 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.703 -12.984 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.842 -13.845 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.357 -12.921 -7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.294 -10.931 -7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.941 -12.193 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.512 -10.699 -9.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.832 -12.255 -9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.206 -11.032 -8.480 1.00 0.00 H new ATOM 836 N LYS A 57 1.471 -13.416 -1.790 1.00 0.00 N ATOM 837 CA LYS A 57 0.662 -14.085 -0.776 1.00 0.00 C ATOM 838 C LYS A 57 1.411 -14.149 0.562 1.00 0.00 C ATOM 839 O LYS A 57 1.364 -15.163 1.263 1.00 0.00 O ATOM 840 CB LYS A 57 0.287 -15.502 -1.230 1.00 0.00 C ATOM 841 CG LYS A 57 -0.503 -15.549 -2.533 1.00 0.00 C ATOM 842 CD LYS A 57 -1.349 -16.810 -2.632 1.00 0.00 C ATOM 843 CE LYS A 57 -2.789 -16.553 -2.219 1.00 0.00 C ATOM 844 NZ LYS A 57 -3.711 -17.619 -2.704 1.00 0.00 N ATOM 0 H LYS A 57 2.476 -13.552 -1.682 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.251 -13.505 -0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.199 -16.087 -1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.299 -15.981 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.147 -14.672 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.185 -15.505 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.325 -17.185 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.921 -17.586 -1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.848 -16.490 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.112 -15.589 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.682 -17.403 -2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.675 -17.663 -3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.420 -18.536 -2.309 1.00 0.00 H new ATOM 858 N ALA A 58 2.106 -13.061 0.910 1.00 0.00 N ATOM 859 CA ALA A 58 2.865 -12.998 2.156 1.00 0.00 C ATOM 860 C ALA A 58 1.940 -12.874 3.367 1.00 0.00 C ATOM 861 O ALA A 58 0.718 -12.953 3.239 1.00 0.00 O ATOM 862 CB ALA A 58 3.855 -11.838 2.115 1.00 0.00 C ATOM 0 H ALA A 58 2.156 -12.214 0.344 1.00 0.00 H new ATOM 0 HA ALA A 58 3.421 -13.930 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.414 -11.803 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.546 -11.979 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.313 -10.902 1.981 1.00 0.00 H new ATOM 868 N SER A 59 2.534 -12.680 4.545 1.00 0.00 N ATOM 869 CA SER A 59 1.768 -12.547 5.780 1.00 0.00 C ATOM 870 C SER A 59 1.412 -11.096 6.051 1.00 0.00 C ATOM 871 O SER A 59 2.241 -10.195 5.914 1.00 0.00 O ATOM 872 CB SER A 59 2.538 -13.128 6.971 1.00 0.00 C ATOM 873 OG SER A 59 3.915 -13.288 6.668 1.00 0.00 O ATOM 0 H SER A 59 3.544 -12.612 4.668 1.00 0.00 H new ATOM 0 HA SER A 59 0.845 -13.112 5.653 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.428 -12.471 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.110 -14.092 7.248 1.00 0.00 H new ATOM 0 HG SER A 59 4.455 -12.947 7.411 1.00 0.00 H new ATOM 879 N HIS A 60 0.162 -10.896 6.441 1.00 0.00 N ATOM 880 CA HIS A 60 -0.367 -9.573 6.744 1.00 0.00 C ATOM 881 C HIS A 60 0.506 -8.841 7.760 1.00 0.00 C ATOM 882 O HIS A 60 0.805 -7.659 7.591 1.00 0.00 O ATOM 883 CB HIS A 60 -1.788 -9.728 7.279 1.00 0.00 C ATOM 884 CG HIS A 60 -2.684 -8.568 6.977 1.00 0.00 C ATOM 885 ND1 HIS A 60 -4.054 -8.683 6.860 1.00 0.00 N ATOM 886 CD2 HIS A 60 -2.402 -7.258 6.777 1.00 0.00 C ATOM 887 CE1 HIS A 60 -4.572 -7.497 6.600 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.593 -6.614 6.547 1.00 0.00 N ATOM 0 H HIS A 60 -0.517 -11.648 6.557 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.372 -8.975 5.833 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.227 -10.632 6.857 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.745 -9.869 8.359 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.584 -9.549 6.959 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.422 -6.804 6.795 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.621 -7.285 6.455 1.00 0.00 H new ATOM 897 N GLU A 61 0.914 -9.555 8.804 1.00 0.00 N ATOM 898 CA GLU A 61 1.760 -8.978 9.847 1.00 0.00 C ATOM 899 C GLU A 61 3.141 -8.618 9.301 1.00 0.00 C ATOM 900 O GLU A 61 3.732 -7.622 9.713 1.00 0.00 O ATOM 901 CB GLU A 61 1.901 -9.938 11.037 1.00 0.00 C ATOM 902 CG GLU A 61 2.258 -11.368 10.651 1.00 0.00 C ATOM 903 CD GLU A 61 1.064 -12.305 10.682 1.00 0.00 C ATOM 904 OE1 GLU A 61 0.148 -12.128 9.849 1.00 0.00 O ATOM 905 OE2 GLU A 61 1.046 -13.215 11.536 1.00 0.00 O ATOM 0 H GLU A 61 0.673 -10.535 8.952 1.00 0.00 H new ATOM 0 HA GLU A 61 1.275 -8.065 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.668 -9.554 11.710 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.964 -9.948 11.594 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.690 -11.372 9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.024 -11.742 11.330 1.00 0.00 H new ATOM 912 N ASP A 62 3.643 -9.419 8.365 1.00 0.00 N ATOM 913 CA ASP A 62 4.947 -9.158 7.764 1.00 0.00 C ATOM 914 C ASP A 62 4.873 -7.947 6.844 1.00 0.00 C ATOM 915 O ASP A 62 5.790 -7.127 6.809 1.00 0.00 O ATOM 916 CB ASP A 62 5.448 -10.379 6.987 1.00 0.00 C ATOM 917 CG ASP A 62 6.373 -11.249 7.814 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.598 -11.003 7.791 1.00 0.00 O ATOM 919 OD2 ASP A 62 5.873 -12.177 8.484 1.00 0.00 O ATOM 0 H ASP A 62 3.170 -10.249 8.008 1.00 0.00 H new ATOM 0 HA ASP A 62 5.653 -8.950 8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.595 -10.972 6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.971 -10.046 6.090 1.00 0.00 H new ATOM 924 N VAL A 63 3.773 -7.837 6.107 1.00 0.00 N ATOM 925 CA VAL A 63 3.577 -6.721 5.192 1.00 0.00 C ATOM 926 C VAL A 63 3.417 -5.410 5.957 1.00 0.00 C ATOM 927 O VAL A 63 4.019 -4.398 5.596 1.00 0.00 O ATOM 928 CB VAL A 63 2.353 -6.942 4.275 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.212 -5.797 3.283 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.457 -8.277 3.546 1.00 0.00 C ATOM 0 H VAL A 63 3.004 -8.507 6.126 1.00 0.00 H new ATOM 0 HA VAL A 63 4.467 -6.662 4.566 1.00 0.00 H new ATOM 0 HB VAL A 63 1.460 -6.965 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.344 -5.972 2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.082 -4.860 3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.109 -5.738 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.585 -8.411 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.360 -8.289 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.501 -9.087 4.274 1.00 0.00 H new ATOM 940 N VAL A 64 2.627 -5.435 7.031 1.00 0.00 N ATOM 941 CA VAL A 64 2.423 -4.256 7.853 1.00 0.00 C ATOM 942 C VAL A 64 3.721 -3.877 8.547 1.00 0.00 C ATOM 943 O VAL A 64 4.047 -2.697 8.669 1.00 0.00 O ATOM 944 CB VAL A 64 1.299 -4.448 8.895 1.00 0.00 C ATOM 945 CG1 VAL A 64 -0.058 -4.513 8.214 1.00 0.00 C ATOM 946 CG2 VAL A 64 1.535 -5.684 9.749 1.00 0.00 C ATOM 0 H VAL A 64 2.121 -6.262 7.347 1.00 0.00 H new ATOM 0 HA VAL A 64 2.110 -3.450 7.190 1.00 0.00 H new ATOM 0 HB VAL A 64 1.311 -3.583 9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.836 -4.649 8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.237 -3.586 7.670 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.076 -5.352 7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.725 -5.788 10.471 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.567 -6.567 9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.482 -5.585 10.279 1.00 0.00 H new ATOM 956 N LYS A 65 4.464 -4.894 8.991 1.00 0.00 N ATOM 957 CA LYS A 65 5.733 -4.673 9.666 1.00 0.00 C ATOM 958 C LYS A 65 6.700 -3.890 8.776 1.00 0.00 C ATOM 959 O LYS A 65 7.417 -3.011 9.252 1.00 0.00 O ATOM 960 CB LYS A 65 6.372 -6.001 10.089 1.00 0.00 C ATOM 961 CG LYS A 65 5.772 -6.600 11.354 1.00 0.00 C ATOM 962 CD LYS A 65 6.737 -6.518 12.525 1.00 0.00 C ATOM 963 CE LYS A 65 6.411 -7.553 13.593 1.00 0.00 C ATOM 964 NZ LYS A 65 6.816 -7.102 14.955 1.00 0.00 N ATOM 0 H LYS A 65 4.204 -5.875 8.892 1.00 0.00 H new ATOM 0 HA LYS A 65 5.528 -4.085 10.561 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.268 -6.718 9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.440 -5.846 10.243 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.850 -6.075 11.604 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.506 -7.642 11.173 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.756 -6.670 12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.697 -5.520 12.961 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.341 -7.758 13.583 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.917 -8.489 13.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.575 -7.837 15.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.842 -6.931 14.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.314 -6.223 15.193 1.00 0.00 H new ATOM 978 N LEU A 66 6.707 -4.210 7.480 1.00 0.00 N ATOM 979 CA LEU A 66 7.584 -3.528 6.527 1.00 0.00 C ATOM 980 C LEU A 66 7.155 -2.073 6.341 1.00 0.00 C ATOM 981 O LEU A 66 7.993 -1.174 6.277 1.00 0.00 O ATOM 982 CB LEU A 66 7.582 -4.249 5.175 1.00 0.00 C ATOM 983 CG LEU A 66 8.119 -5.682 5.202 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.629 -6.461 3.990 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.640 -5.683 5.263 1.00 0.00 C ATOM 0 H LEU A 66 6.118 -4.934 7.068 1.00 0.00 H new ATOM 0 HA LEU A 66 8.596 -3.546 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.562 -4.267 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.177 -3.668 4.470 1.00 0.00 H new ATOM 0 HG LEU A 66 7.741 -6.173 6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.022 -7.477 4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.539 -6.493 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.975 -5.972 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.003 -6.711 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.040 -5.173 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.968 -5.166 6.165 1.00 0.00 H new ATOM 997 N ILE A 67 5.842 -1.853 6.264 1.00 0.00 N ATOM 998 CA ILE A 67 5.295 -0.508 6.092 1.00 0.00 C ATOM 999 C ILE A 67 5.502 0.333 7.350 1.00 0.00 C ATOM 1000 O ILE A 67 5.799 1.526 7.266 1.00 0.00 O ATOM 1001 CB ILE A 67 3.787 -0.544 5.745 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.526 -1.490 4.568 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.279 0.857 5.424 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.111 -2.025 4.518 1.00 0.00 C ATOM 0 H ILE A 67 5.138 -2.589 6.318 1.00 0.00 H new ATOM 0 HA ILE A 67 5.834 -0.053 5.261 1.00 0.00 H new ATOM 0 HB ILE A 67 3.245 -0.918 6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.739 -0.965 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.220 -2.329 4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.217 0.812 5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.428 1.505 6.288 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.829 1.257 4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.002 -2.687 3.659 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.899 -2.580 5.432 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.411 -1.194 4.427 1.00 0.00 H new ATOM 1016 N GLY A 68 5.351 -0.296 8.515 1.00 0.00 N ATOM 1017 CA GLY A 68 5.535 0.412 9.772 1.00 0.00 C ATOM 1018 C GLY A 68 6.978 0.409 10.253 1.00 0.00 C ATOM 1019 O GLY A 68 7.248 0.732 11.411 1.00 0.00 O ATOM 0 H GLY A 68 5.105 -1.281 8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.200 1.442 9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.903 -0.043 10.535 1.00 0.00 H new ATOM 1023 N LYS A 69 7.908 0.046 9.367 1.00 0.00 N ATOM 1024 CA LYS A 69 9.327 0.004 9.709 1.00 0.00 C ATOM 1025 C LYS A 69 10.060 1.244 9.193 1.00 0.00 C ATOM 1026 O LYS A 69 11.055 1.672 9.782 1.00 0.00 O ATOM 1027 CB LYS A 69 9.965 -1.262 9.134 1.00 0.00 C ATOM 1028 CG LYS A 69 11.456 -1.379 9.411 1.00 0.00 C ATOM 1029 CD LYS A 69 11.844 -2.797 9.803 1.00 0.00 C ATOM 1030 CE LYS A 69 12.924 -3.357 8.887 1.00 0.00 C ATOM 1031 NZ LYS A 69 12.348 -4.033 7.687 1.00 0.00 N ATOM 0 H LYS A 69 7.701 -0.223 8.405 1.00 0.00 H new ATOM 0 HA LYS A 69 9.414 -0.009 10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.458 -2.133 9.549 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.803 -1.282 8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.016 -1.080 8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.733 -0.691 10.210 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.200 -2.806 10.833 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.964 -3.439 9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.582 -2.549 8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.538 -4.066 9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.118 -4.399 7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.741 -4.821 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.783 -3.351 7.142 1.00 0.00 H new ATOM 1045 N CYS A 70 9.569 1.815 8.093 1.00 0.00 N ATOM 1046 CA CYS A 70 10.182 3.001 7.506 1.00 0.00 C ATOM 1047 C CYS A 70 9.966 4.218 8.402 1.00 0.00 C ATOM 1048 O CYS A 70 10.924 4.817 8.896 1.00 0.00 O ATOM 1049 CB CYS A 70 9.615 3.256 6.106 1.00 0.00 C ATOM 1050 SG CYS A 70 10.854 3.773 4.895 1.00 0.00 S ATOM 0 H CYS A 70 8.749 1.474 7.592 1.00 0.00 H new ATOM 0 HA CYS A 70 11.255 2.828 7.419 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.131 2.347 5.750 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.843 4.023 6.172 1.00 0.00 H new ATOM 0 HG CYS A 70 10.291 4.515 3.988 1.00 0.00 H new ATOM 1056 N SER A 71 8.700 4.573 8.602 1.00 0.00 N ATOM 1057 CA SER A 71 8.330 5.717 9.438 1.00 0.00 C ATOM 1058 C SER A 71 8.704 7.036 8.762 1.00 0.00 C ATOM 1059 O SER A 71 9.067 8.009 9.428 1.00 0.00 O ATOM 1060 CB SER A 71 8.995 5.616 10.817 1.00 0.00 C ATOM 1061 OG SER A 71 8.063 5.872 11.852 1.00 0.00 O ATOM 0 H SER A 71 7.905 4.082 8.194 1.00 0.00 H new ATOM 0 HA SER A 71 7.248 5.699 9.571 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.423 4.622 10.946 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.818 6.328 10.880 1.00 0.00 H new ATOM 0 HG SER A 71 8.511 5.800 12.721 1.00 0.00 H new ATOM 1067 N GLY A 72 8.609 7.054 7.436 1.00 0.00 N ATOM 1068 CA GLY A 72 8.937 8.248 6.677 1.00 0.00 C ATOM 1069 C GLY A 72 8.311 8.237 5.297 1.00 0.00 C ATOM 1070 O GLY A 72 7.677 9.212 4.886 1.00 0.00 O ATOM 0 H GLY A 72 8.309 6.259 6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.596 9.128 7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.020 8.331 6.583 1.00 0.00 H new ATOM 1074 N VAL A 73 8.485 7.125 4.579 1.00 0.00 N ATOM 1075 CA VAL A 73 7.933 6.983 3.239 1.00 0.00 C ATOM 1076 C VAL A 73 8.158 5.581 2.683 1.00 0.00 C ATOM 1077 O VAL A 73 9.266 5.043 2.747 1.00 0.00 O ATOM 1078 CB VAL A 73 8.530 8.019 2.271 1.00 0.00 C ATOM 1079 CG1 VAL A 73 10.050 7.922 2.230 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.938 7.864 0.876 1.00 0.00 C ATOM 0 H VAL A 73 9.005 6.312 4.908 1.00 0.00 H new ATOM 0 HA VAL A 73 6.860 7.157 3.325 1.00 0.00 H new ATOM 0 HB VAL A 73 8.269 9.010 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.444 8.666 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.453 8.104 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.342 6.926 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.376 8.608 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.155 6.865 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.858 8.008 0.921 1.00 0.00 H new ATOM 1090 N LEU A 74 7.097 5.002 2.133 1.00 0.00 N ATOM 1091 CA LEU A 74 7.166 3.664 1.554 1.00 0.00 C ATOM 1092 C LEU A 74 6.927 3.689 0.049 1.00 0.00 C ATOM 1093 O LEU A 74 6.236 4.569 -0.469 1.00 0.00 O ATOM 1094 CB LEU A 74 6.153 2.738 2.227 1.00 0.00 C ATOM 1095 CG LEU A 74 6.759 1.492 2.873 1.00 0.00 C ATOM 1096 CD1 LEU A 74 7.148 1.777 4.315 1.00 0.00 C ATOM 1097 CD2 LEU A 74 5.788 0.324 2.792 1.00 0.00 C ATOM 0 H LEU A 74 6.177 5.438 2.075 1.00 0.00 H new ATOM 0 HA LEU A 74 8.173 3.284 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.616 3.302 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.418 2.425 1.485 1.00 0.00 H new ATOM 0 HG LEU A 74 7.661 1.220 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 74 7.578 0.880 4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.882 2.582 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.263 2.074 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.236 -0.554 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.866 0.580 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.565 0.108 1.747 1.00 0.00 H new ATOM 1109 N HIS A 75 7.492 2.701 -0.643 1.00 0.00 N ATOM 1110 CA HIS A 75 7.342 2.577 -2.087 1.00 0.00 C ATOM 1111 C HIS A 75 6.624 1.273 -2.426 1.00 0.00 C ATOM 1112 O HIS A 75 7.206 0.189 -2.325 1.00 0.00 O ATOM 1113 CB HIS A 75 8.713 2.629 -2.771 1.00 0.00 C ATOM 1114 CG HIS A 75 9.270 4.017 -2.893 1.00 0.00 C ATOM 1115 ND1 HIS A 75 9.911 4.477 -4.023 1.00 0.00 N ATOM 1116 CD2 HIS A 75 9.272 5.052 -2.017 1.00 0.00 C ATOM 1117 CE1 HIS A 75 10.284 5.731 -3.836 1.00 0.00 C ATOM 1118 NE2 HIS A 75 9.906 6.106 -2.629 1.00 0.00 N ATOM 0 H HIS A 75 8.063 1.969 -0.219 1.00 0.00 H new ATOM 0 HA HIS A 75 6.744 3.411 -2.453 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.414 2.013 -2.208 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.631 2.191 -3.766 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.853 5.048 -1.022 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.810 6.346 -4.551 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.059 7.027 -2.218 1.00 0.00 H new ATOM 1127 N MET A 76 5.351 1.382 -2.807 1.00 0.00 N ATOM 1128 CA MET A 76 4.546 0.212 -3.140 1.00 0.00 C ATOM 1129 C MET A 76 4.140 0.215 -4.610 1.00 0.00 C ATOM 1130 O MET A 76 4.078 1.268 -5.246 1.00 0.00 O ATOM 1131 CB MET A 76 3.290 0.164 -2.263 1.00 0.00 C ATOM 1132 CG MET A 76 3.564 0.345 -0.777 1.00 0.00 C ATOM 1133 SD MET A 76 3.498 2.073 -0.264 1.00 0.00 S ATOM 1134 CE MET A 76 2.543 1.945 1.245 1.00 0.00 C ATOM 0 H MET A 76 4.857 2.270 -2.892 1.00 0.00 H new ATOM 0 HA MET A 76 5.156 -0.672 -2.953 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.600 0.941 -2.592 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.789 -0.792 -2.416 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.835 -0.228 -0.205 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.547 -0.063 -0.540 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.417 2.936 1.681 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.565 1.520 1.021 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.065 1.301 1.953 1.00 0.00 H new ATOM 1144 N VAL A 77 3.852 -0.973 -5.135 1.00 0.00 N ATOM 1145 CA VAL A 77 3.434 -1.121 -6.523 1.00 0.00 C ATOM 1146 C VAL A 77 2.108 -1.869 -6.593 1.00 0.00 C ATOM 1147 O VAL A 77 2.065 -3.097 -6.472 1.00 0.00 O ATOM 1148 CB VAL A 77 4.493 -1.863 -7.365 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.105 -1.863 -8.838 1.00 0.00 C ATOM 1150 CG2 VAL A 77 5.869 -1.239 -7.177 1.00 0.00 C ATOM 0 H VAL A 77 3.901 -1.850 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 77 3.315 -0.120 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 77 4.536 -2.896 -7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.865 -2.391 -9.414 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.144 -2.362 -8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.028 -0.836 -9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.599 -1.779 -7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.841 -0.195 -7.490 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.154 -1.296 -6.126 1.00 0.00 H new ATOM 1160 N ILE A 78 1.027 -1.115 -6.772 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.310 -1.691 -6.842 1.00 0.00 C ATOM 1162 C ILE A 78 -0.798 -1.794 -8.288 1.00 0.00 C ATOM 1163 O ILE A 78 -0.299 -1.102 -9.179 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.318 -0.875 -5.999 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -1.420 0.565 -6.515 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -0.910 -0.892 -4.530 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -2.312 1.452 -5.670 1.00 0.00 C ATOM 0 H ILE A 78 1.053 -0.100 -6.871 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.247 -2.697 -6.428 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.301 -1.337 -6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.421 1.000 -6.553 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.800 0.550 -7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.627 -0.314 -3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.893 -1.920 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.082 -0.453 -4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.336 2.455 -6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.322 1.041 -5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.921 1.498 -4.654 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.772 -2.678 -8.512 1.00 0.00 N ATOM 1180 CA ALA A 79 -2.331 -2.903 -9.843 1.00 0.00 C ATOM 1181 C ALA A 79 -3.796 -2.485 -9.918 1.00 0.00 C ATOM 1182 O ALA A 79 -4.651 -3.057 -9.235 1.00 0.00 O ATOM 1183 CB ALA A 79 -2.191 -4.368 -10.223 1.00 0.00 C ATOM 0 H ALA A 79 -2.192 -3.253 -7.781 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.772 -2.286 -10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.610 -4.528 -11.216 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.137 -4.644 -10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.726 -4.984 -9.500 1.00 0.00 H new ATOM 1189 N GLU A 80 -4.080 -1.484 -10.755 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.444 -0.989 -10.924 1.00 0.00 C ATOM 1191 C GLU A 80 -6.296 -1.990 -11.705 1.00 0.00 C ATOM 1192 O GLU A 80 -5.983 -2.335 -12.846 1.00 0.00 O ATOM 1193 CB GLU A 80 -5.449 0.377 -11.626 1.00 0.00 C ATOM 1194 CG GLU A 80 -4.736 0.390 -12.973 1.00 0.00 C ATOM 1195 CD GLU A 80 -5.602 0.948 -14.089 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -6.576 0.272 -14.480 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -5.305 2.061 -14.570 1.00 0.00 O ATOM 0 H GLU A 80 -3.384 -1.003 -11.324 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.879 -0.868 -9.932 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.482 0.695 -11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.979 1.111 -10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.826 0.985 -12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.431 -0.625 -13.228 1.00 0.00 H new ATOM 1204 N GLY A 81 -7.379 -2.452 -11.081 1.00 0.00 N ATOM 1205 CA GLY A 81 -8.262 -3.407 -11.729 1.00 0.00 C ATOM 1206 C GLY A 81 -9.564 -3.599 -10.970 1.00 0.00 C ATOM 1207 O GLY A 81 -10.031 -4.728 -10.806 1.00 0.00 O ATOM 0 H GLY A 81 -7.660 -2.181 -10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.481 -3.066 -12.741 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.752 -4.366 -11.819 1.00 0.00 H new ATOM 1211 N VAL A 82 -10.148 -2.495 -10.506 1.00 0.00 N ATOM 1212 CA VAL A 82 -11.401 -2.543 -9.760 1.00 0.00 C ATOM 1213 C VAL A 82 -12.592 -2.321 -10.689 1.00 0.00 C ATOM 1214 O VAL A 82 -12.858 -1.194 -11.112 1.00 0.00 O ATOM 1215 CB VAL A 82 -11.429 -1.490 -8.632 1.00 0.00 C ATOM 1216 CG1 VAL A 82 -12.672 -1.659 -7.768 1.00 0.00 C ATOM 1217 CG2 VAL A 82 -10.166 -1.575 -7.785 1.00 0.00 C ATOM 0 H VAL A 82 -9.771 -1.556 -10.635 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.471 -3.534 -9.312 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.465 -0.501 -9.089 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.672 -0.907 -6.979 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.563 -1.538 -8.384 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.672 -2.653 -7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.206 -0.824 -6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.093 -2.567 -7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.294 -1.395 -8.413 1.00 0.00 H new ATOM 1227 N GLY A 83 -13.303 -3.403 -11.004 1.00 0.00 N ATOM 1228 CA GLY A 83 -14.458 -3.311 -11.883 1.00 0.00 C ATOM 1229 C GLY A 83 -14.606 -4.519 -12.796 1.00 0.00 C ATOM 1230 O GLY A 83 -14.036 -5.586 -12.477 1.00 0.00 O ATOM 1231 OXT GLY A 83 -15.292 -4.396 -13.830 1.00 0.00 O ATOM 0 H GLY A 83 -13.099 -4.343 -10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.360 -3.205 -11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.374 -2.410 -12.491 1.00 0.00 H new TER 1235 GLY A 83