USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 520 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.924 K(o=-0.92,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.3 K(o=-1.3,f=0.26) USER MOD Single : A 20 SER OG : rot 77:sc= 0.342 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -129:sc= -0.525 (180deg=-1.1) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 102:sc= 1.19 USER MOD Single : A 40 GLN : amide:sc= 0.0376 X(o=0.038,f=-0.0038) USER MOD Single : A 48 CYS SG : rot 59:sc= 0.178 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0566 X(o=-0.057,f=-0.057) USER MOD Single : A 60 ASN : amide:sc= 0.907 K(o=0.91,f=-2.9) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 151:sc= 1.28 (180deg=0.918) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 12.795 1.766 0.099 1.00 25.00 N ATOM 60 CA TYR A 5 13.595 0.584 0.431 1.00 25.00 C ATOM 61 C TYR A 5 13.190 -0.673 -0.362 1.00 25.00 C ATOM 62 O TYR A 5 12.270 -0.654 -1.167 1.00 25.00 O ATOM 63 CB TYR A 5 13.560 0.333 1.938 1.00 25.00 C ATOM 64 CG TYR A 5 14.371 1.316 2.755 1.00 25.00 C ATOM 65 CD1 TYR A 5 13.748 2.145 3.709 1.00 25.00 C ATOM 66 CD2 TYR A 5 15.774 1.405 2.603 1.00 25.00 C ATOM 67 CE1 TYR A 5 14.512 3.047 4.496 1.00 25.00 C ATOM 68 CE2 TYR A 5 16.537 2.306 3.386 1.00 25.00 C ATOM 69 CZ TYR A 5 15.898 3.116 4.327 1.00 25.00 C ATOM 70 OH TYR A 5 16.639 3.978 5.095 1.00 25.00 O ATOM 0 HA TYR A 5 14.620 0.798 0.129 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.524 0.366 2.276 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.927 -0.674 2.135 1.00 25.00 H new ATOM 0 HD1 TYR A 5 12.678 2.094 3.843 1.00 25.00 H new ATOM 0 HD2 TYR A 5 16.271 0.777 1.879 1.00 25.00 H new ATOM 0 HE1 TYR A 5 14.023 3.678 5.223 1.00 25.00 H new ATOM 0 HE2 TYR A 5 17.607 2.366 3.256 1.00 25.00 H new ATOM 0 HH TYR A 5 17.585 3.901 4.852 1.00 25.00 H new ATOM 80 N LEU A 6 13.953 -1.745 -0.179 1.00 25.00 N ATOM 81 CA LEU A 6 13.741 -2.996 -0.911 1.00 25.00 C ATOM 82 C LEU A 6 12.493 -3.731 -0.418 1.00 25.00 C ATOM 83 O LEU A 6 11.750 -4.296 -1.211 1.00 25.00 O ATOM 84 CB LEU A 6 14.963 -3.914 -0.750 1.00 25.00 C ATOM 85 CG LEU A 6 16.330 -3.416 -1.240 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.407 -4.443 -0.854 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.344 -3.195 -2.749 1.00 25.00 C ATOM 0 H LEU A 6 14.733 -1.775 0.477 1.00 25.00 H new ATOM 0 HA LEU A 6 13.600 -2.742 -1.962 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.059 -4.154 0.309 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.746 -4.847 -1.270 1.00 25.00 H new ATOM 0 HG LEU A 6 16.535 -2.456 -0.765 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.381 -4.096 -1.199 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.426 -4.560 0.230 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.178 -5.402 -1.319 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.329 -2.843 -3.056 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.120 -4.133 -3.256 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.593 -2.451 -3.015 1.00 25.00 H new ATOM 99 N ASN A 7 12.288 -3.711 0.899 1.00 25.00 N ATOM 100 CA ASN A 7 11.119 -4.337 1.562 1.00 25.00 C ATOM 101 C ASN A 7 10.973 -5.828 1.200 1.00 25.00 C ATOM 102 O ASN A 7 9.911 -6.287 0.786 1.00 25.00 O ATOM 103 CB ASN A 7 9.809 -3.571 1.233 1.00 25.00 C ATOM 104 CG ASN A 7 9.604 -2.341 2.093 1.00 25.00 C ATOM 105 OD1 ASN A 7 8.491 -2.033 2.479 1.00 25.00 O ATOM 106 ND2 ASN A 7 10.661 -1.656 2.411 1.00 25.00 N ATOM 0 H ASN A 7 12.928 -3.258 1.551 1.00 25.00 H new ATOM 0 HA ASN A 7 11.299 -4.275 2.635 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.823 -3.275 0.184 1.00 25.00 H new ATOM 0 HB3 ASN A 7 8.961 -4.243 1.363 1.00 25.00 H new ATOM 0 HD21 ASN A 7 10.574 -0.830 3.003 1.00 25.00 H new ATOM 0 HD22 ASN A 7 11.578 -1.944 2.069 1.00 25.00 H new ATOM 113 N VAL A 8 12.042 -6.589 1.385 1.00 25.00 N ATOM 114 CA VAL A 8 12.031 -8.031 1.097 1.00 25.00 C ATOM 115 C VAL A 8 12.156 -8.760 2.427 1.00 25.00 C ATOM 116 O VAL A 8 12.576 -8.164 3.408 1.00 25.00 O ATOM 117 CB VAL A 8 13.187 -8.443 0.100 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.682 -7.234 -0.673 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.380 -9.091 0.813 1.00 25.00 C ATOM 0 H VAL A 8 12.934 -6.238 1.734 1.00 25.00 H new ATOM 0 HA VAL A 8 11.101 -8.304 0.599 1.00 25.00 H new ATOM 0 HB VAL A 8 12.755 -9.178 -0.579 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.477 -7.538 -1.354 1.00 25.00 H new ATOM 0 HG12 VAL A 8 12.859 -6.806 -1.245 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.066 -6.489 0.024 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.143 -9.353 0.080 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.797 -8.389 1.536 1.00 25.00 H new ATOM 0 HG23 VAL A 8 14.049 -9.991 1.331 1.00 25.00 H new ATOM 129 N LEU A 9 11.818 -10.039 2.469 1.00 25.00 N ATOM 130 CA LEU A 9 11.971 -10.820 3.696 1.00 25.00 C ATOM 131 C LEU A 9 13.243 -11.654 3.610 1.00 25.00 C ATOM 132 O LEU A 9 13.592 -12.154 2.543 1.00 25.00 O ATOM 133 CB LEU A 9 10.760 -11.740 3.895 1.00 25.00 C ATOM 134 CG LEU A 9 9.399 -11.036 4.052 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.307 -12.089 4.228 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.384 -10.069 5.240 1.00 25.00 C ATOM 0 H LEU A 9 11.439 -10.559 1.678 1.00 25.00 H new ATOM 0 HA LEU A 9 12.037 -10.140 4.545 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.700 -12.419 3.044 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.935 -12.352 4.780 1.00 25.00 H new ATOM 0 HG LEU A 9 9.218 -10.448 3.152 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.341 -11.596 4.340 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.284 -12.739 3.353 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.516 -12.684 5.117 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.405 -9.596 5.312 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.590 -10.618 6.159 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.147 -9.304 5.096 1.00 25.00 H new ATOM 148 N ALA A 10 13.928 -11.820 4.729 1.00 25.00 N ATOM 149 CA ALA A 10 15.129 -12.650 4.782 1.00 25.00 C ATOM 150 C ALA A 10 15.092 -13.519 6.035 1.00 25.00 C ATOM 151 O ALA A 10 14.634 -13.070 7.082 1.00 25.00 O ATOM 152 CB ALA A 10 16.371 -11.770 4.773 1.00 25.00 C ATOM 0 H ALA A 10 13.675 -11.391 5.619 1.00 25.00 H new ATOM 0 HA ALA A 10 15.163 -13.298 3.906 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.262 -12.397 4.813 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.388 -11.173 3.861 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.354 -11.108 5.639 1.00 25.00 H new ATOM 158 N LYS A 11 15.573 -14.753 5.924 1.00 25.00 N ATOM 159 CA LYS A 11 15.612 -15.693 7.052 1.00 25.00 C ATOM 160 C LYS A 11 17.019 -15.826 7.618 1.00 25.00 C ATOM 161 O LYS A 11 17.984 -15.972 6.866 1.00 25.00 O ATOM 162 CB LYS A 11 15.130 -17.080 6.622 1.00 25.00 C ATOM 163 CG LYS A 11 15.237 -18.135 7.740 1.00 25.00 C ATOM 164 CD LYS A 11 14.431 -19.402 7.469 1.00 25.00 C ATOM 165 CE LYS A 11 12.941 -19.177 7.738 1.00 25.00 C ATOM 166 NZ LYS A 11 12.133 -20.441 7.717 1.00 25.00 N ATOM 0 H LYS A 11 15.947 -15.134 5.055 1.00 25.00 H new ATOM 0 HA LYS A 11 14.951 -15.292 7.820 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.093 -17.011 6.295 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.714 -17.410 5.763 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.285 -18.404 7.874 1.00 25.00 H new ATOM 0 HG3 LYS A 11 14.898 -17.693 8.677 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.574 -19.713 6.434 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.799 -20.212 8.099 1.00 25.00 H new ATOM 0 HE2 LYS A 11 12.824 -18.696 8.709 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.545 -18.489 6.991 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.135 -20.218 7.906 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.217 -20.891 6.783 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.487 -21.091 8.447 1.00 25.00 H new ATOM 180 N ALA A 12 17.112 -15.838 8.935 1.00 25.00 N ATOM 181 CA ALA A 12 18.369 -16.063 9.638 1.00 25.00 C ATOM 182 C ALA A 12 18.796 -17.531 9.520 1.00 25.00 C ATOM 183 O ALA A 12 18.031 -18.428 9.869 1.00 25.00 O ATOM 184 CB ALA A 12 18.177 -15.698 11.102 1.00 25.00 C ATOM 0 H ALA A 12 16.315 -15.691 9.554 1.00 25.00 H new ATOM 0 HA ALA A 12 19.149 -15.444 9.195 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.109 -15.861 11.643 1.00 25.00 H new ATOM 0 HB2 ALA A 12 17.890 -14.649 11.181 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.394 -16.322 11.533 1.00 25.00 H new ATOM 190 N LEU A 13 20.020 -17.784 9.075 1.00 25.00 N ATOM 191 CA LEU A 13 20.551 -19.149 9.040 1.00 25.00 C ATOM 192 C LEU A 13 21.243 -19.480 10.349 1.00 25.00 C ATOM 193 O LEU A 13 21.459 -20.638 10.658 1.00 25.00 O ATOM 194 CB LEU A 13 21.594 -19.309 7.935 1.00 25.00 C ATOM 195 CG LEU A 13 21.206 -19.219 6.458 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.779 -19.698 6.172 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.396 -17.823 5.945 1.00 25.00 C ATOM 0 H LEU A 13 20.664 -17.070 8.734 1.00 25.00 H new ATOM 0 HA LEU A 13 19.705 -19.813 8.862 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.360 -18.553 8.109 1.00 25.00 H new ATOM 0 HB3 LEU A 13 22.066 -20.281 8.081 1.00 25.00 H new ATOM 0 HG LEU A 13 21.874 -19.898 5.928 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.571 -19.606 5.106 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.678 -20.741 6.473 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.071 -19.088 6.733 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.114 -17.781 4.893 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.770 -17.137 6.516 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.442 -17.535 6.053 1.00 25.00 H new ATOM 209 N TYR A 14 21.618 -18.444 11.084 1.00 25.00 N ATOM 210 CA TYR A 14 22.356 -18.591 12.331 1.00 25.00 C ATOM 211 C TYR A 14 21.880 -17.517 13.291 1.00 25.00 C ATOM 212 O TYR A 14 21.241 -16.556 12.870 1.00 25.00 O ATOM 213 CB TYR A 14 23.854 -18.395 12.091 1.00 25.00 C ATOM 214 CG TYR A 14 24.433 -19.267 11.000 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.832 -20.592 11.266 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.579 -18.771 9.692 1.00 25.00 C ATOM 217 CE1 TYR A 14 25.369 -21.409 10.233 1.00 25.00 C ATOM 218 CE2 TYR A 14 25.103 -19.584 8.657 1.00 25.00 C ATOM 219 CZ TYR A 14 25.495 -20.896 8.941 1.00 25.00 C ATOM 220 OH TYR A 14 26.006 -21.679 7.939 1.00 25.00 O ATOM 0 H TYR A 14 21.419 -17.476 10.833 1.00 25.00 H new ATOM 0 HA TYR A 14 22.187 -19.589 12.736 1.00 25.00 H new ATOM 0 HB2 TYR A 14 24.035 -17.350 11.838 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.387 -18.595 13.020 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.729 -20.991 12.264 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.287 -17.754 9.473 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.678 -22.421 10.447 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.199 -19.193 7.655 1.00 25.00 H new ATOM 0 HH TYR A 14 26.024 -21.169 7.102 1.00 25.00 H new ATOM 230 N ASP A 15 22.224 -17.655 14.560 1.00 25.00 N ATOM 231 CA ASP A 15 21.907 -16.651 15.569 1.00 25.00 C ATOM 232 C ASP A 15 22.733 -15.381 15.373 1.00 25.00 C ATOM 233 O ASP A 15 23.784 -15.385 14.718 1.00 25.00 O ATOM 234 CB ASP A 15 22.199 -17.226 16.955 1.00 25.00 C ATOM 235 CG ASP A 15 21.385 -18.460 17.242 1.00 25.00 C ATOM 236 OD1 ASP A 15 20.168 -18.441 16.970 1.00 25.00 O ATOM 237 OD2 ASP A 15 21.950 -19.480 17.667 1.00 25.00 O ATOM 0 H ASP A 15 22.730 -18.463 14.922 1.00 25.00 H new ATOM 0 HA ASP A 15 20.853 -16.392 15.473 1.00 25.00 H new ATOM 0 HB2 ASP A 15 23.259 -17.467 17.031 1.00 25.00 H new ATOM 0 HB3 ASP A 15 21.989 -16.470 17.712 1.00 25.00 H new ATOM 242 N ASN A 16 22.260 -14.294 15.960 1.00 25.00 N ATOM 243 CA ASN A 16 22.906 -12.993 15.865 1.00 25.00 C ATOM 244 C ASN A 16 22.791 -12.319 17.221 1.00 25.00 C ATOM 245 O ASN A 16 21.703 -12.200 17.767 1.00 25.00 O ATOM 246 CB ASN A 16 22.177 -12.194 14.782 1.00 25.00 C ATOM 247 CG ASN A 16 22.614 -10.748 14.672 1.00 25.00 C ATOM 248 OD1 ASN A 16 21.833 -9.901 14.335 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.849 -10.491 14.886 1.00 25.00 N ATOM 0 H ASN A 16 21.409 -14.289 16.522 1.00 25.00 H new ATOM 0 HA ASN A 16 23.960 -13.069 15.600 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.333 -12.682 13.820 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.106 -12.223 14.984 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.199 -9.540 14.771 1.00 25.00 H new ATOM 0 HD22 ASN A 16 24.483 -11.237 15.171 1.00 25.00 H new ATOM 256 N VAL A 17 23.922 -11.896 17.758 1.00 25.00 N ATOM 257 CA VAL A 17 23.965 -11.164 19.011 1.00 25.00 C ATOM 258 C VAL A 17 24.527 -9.813 18.630 1.00 25.00 C ATOM 259 O VAL A 17 25.563 -9.731 17.964 1.00 25.00 O ATOM 260 CB VAL A 17 24.862 -11.860 20.078 1.00 25.00 C ATOM 261 CG1 VAL A 17 24.937 -11.016 21.365 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.307 -13.265 20.401 1.00 25.00 C ATOM 0 H VAL A 17 24.838 -12.051 17.336 1.00 25.00 H new ATOM 0 HA VAL A 17 22.980 -11.102 19.473 1.00 25.00 H new ATOM 0 HB VAL A 17 25.868 -11.956 19.670 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.569 -11.522 22.095 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.360 -10.038 21.135 1.00 25.00 H new ATOM 0 HG13 VAL A 17 23.936 -10.890 21.777 1.00 25.00 H new ATOM 0 HG21 VAL A 17 24.941 -13.744 21.148 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.293 -13.175 20.790 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.296 -13.869 19.494 1.00 25.00 H new ATOM 272 N ALA A 18 23.793 -8.774 18.979 1.00 25.00 N ATOM 273 CA ALA A 18 24.155 -7.423 18.622 1.00 25.00 C ATOM 274 C ALA A 18 25.289 -6.937 19.517 1.00 25.00 C ATOM 275 O ALA A 18 25.138 -6.864 20.734 1.00 25.00 O ATOM 276 CB ALA A 18 22.940 -6.536 18.766 1.00 25.00 C ATOM 0 H ALA A 18 22.930 -8.847 19.518 1.00 25.00 H new ATOM 0 HA ALA A 18 24.500 -7.390 17.589 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.203 -5.513 18.499 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.149 -6.892 18.106 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.590 -6.563 19.798 1.00 25.00 H new ATOM 282 N GLU A 19 26.415 -6.618 18.903 1.00 25.00 N ATOM 283 CA GLU A 19 27.585 -6.119 19.624 1.00 25.00 C ATOM 284 C GLU A 19 27.742 -4.632 19.348 1.00 25.00 C ATOM 285 O GLU A 19 28.421 -3.907 20.070 1.00 25.00 O ATOM 286 CB GLU A 19 28.839 -6.859 19.161 1.00 25.00 C ATOM 287 CG GLU A 19 28.818 -8.337 19.524 1.00 25.00 C ATOM 288 CD GLU A 19 30.089 -9.067 19.102 1.00 25.00 C ATOM 289 OE1 GLU A 19 30.364 -9.123 17.879 1.00 25.00 O ATOM 290 OE2 GLU A 19 30.768 -9.643 19.970 1.00 25.00 O ATOM 0 H GLU A 19 26.549 -6.695 17.895 1.00 25.00 H new ATOM 0 HA GLU A 19 27.450 -6.286 20.693 1.00 25.00 H new ATOM 0 HB2 GLU A 19 28.938 -6.756 18.080 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.717 -6.392 19.608 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.686 -8.440 20.601 1.00 25.00 H new ATOM 0 HG3 GLU A 19 27.958 -8.811 19.050 1.00 25.00 H new ATOM 297 N SER A 20 27.084 -4.188 18.290 1.00 25.00 N ATOM 298 CA SER A 20 27.122 -2.796 17.868 1.00 25.00 C ATOM 299 C SER A 20 25.784 -2.157 18.196 1.00 25.00 C ATOM 300 O SER A 20 24.752 -2.829 18.191 1.00 25.00 O ATOM 301 CB SER A 20 27.375 -2.736 16.361 1.00 25.00 C ATOM 302 OG SER A 20 28.099 -3.879 15.934 1.00 25.00 O ATOM 0 H SER A 20 26.506 -4.784 17.697 1.00 25.00 H new ATOM 0 HA SER A 20 27.920 -2.262 18.384 1.00 25.00 H new ATOM 0 HB2 SER A 20 26.426 -2.680 15.829 1.00 25.00 H new ATOM 0 HB3 SER A 20 27.932 -1.832 16.115 1.00 25.00 H new ATOM 0 HG SER A 20 27.494 -4.648 15.879 1.00 25.00 H new ATOM 308 N PRO A 21 25.765 -0.838 18.448 1.00 25.00 N ATOM 309 CA PRO A 21 24.487 -0.182 18.748 1.00 25.00 C ATOM 310 C PRO A 21 23.560 -0.110 17.535 1.00 25.00 C ATOM 311 O PRO A 21 22.354 0.099 17.672 1.00 25.00 O ATOM 312 CB PRO A 21 24.924 1.212 19.203 1.00 25.00 C ATOM 313 CG PRO A 21 26.207 1.443 18.479 1.00 25.00 C ATOM 314 CD PRO A 21 26.886 0.121 18.477 1.00 25.00 C ATOM 0 HA PRO A 21 23.903 -0.725 19.492 1.00 25.00 H new ATOM 0 HB2 PRO A 21 24.180 1.967 18.947 1.00 25.00 H new ATOM 0 HB3 PRO A 21 25.062 1.254 20.283 1.00 25.00 H new ATOM 0 HG2 PRO A 21 26.030 1.798 17.464 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.813 2.198 18.980 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.537 0.005 17.611 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.507 -0.013 19.363 1.00 25.00 H new ATOM 322 N ASP A 22 24.120 -0.328 16.355 1.00 25.00 N ATOM 323 CA ASP A 22 23.365 -0.271 15.112 1.00 25.00 C ATOM 324 C ASP A 22 22.941 -1.659 14.694 1.00 25.00 C ATOM 325 O ASP A 22 22.343 -1.816 13.658 1.00 25.00 O ATOM 326 CB ASP A 22 24.234 0.315 13.986 1.00 25.00 C ATOM 327 CG ASP A 22 24.306 1.826 14.029 1.00 25.00 C ATOM 328 OD1 ASP A 22 24.031 2.451 12.982 1.00 25.00 O ATOM 329 OD2 ASP A 22 24.623 2.387 15.098 1.00 25.00 O ATOM 0 H ASP A 22 25.108 -0.549 16.232 1.00 25.00 H new ATOM 0 HA ASP A 22 22.491 0.358 15.280 1.00 25.00 H new ATOM 0 HB2 ASP A 22 25.241 -0.095 14.060 1.00 25.00 H new ATOM 0 HB3 ASP A 22 23.832 0.002 13.022 1.00 25.00 H new ATOM 334 N GLU A 23 23.302 -2.678 15.456 1.00 25.00 N ATOM 335 CA GLU A 23 23.091 -4.061 15.038 1.00 25.00 C ATOM 336 C GLU A 23 21.810 -4.644 15.639 1.00 25.00 C ATOM 337 O GLU A 23 21.387 -4.261 16.733 1.00 25.00 O ATOM 338 CB GLU A 23 24.324 -4.882 15.445 1.00 25.00 C ATOM 339 CG GLU A 23 24.437 -6.242 14.776 1.00 25.00 C ATOM 340 CD GLU A 23 25.699 -6.983 15.174 1.00 25.00 C ATOM 341 OE1 GLU A 23 25.911 -8.114 14.665 1.00 25.00 O ATOM 342 OE2 GLU A 23 26.487 -6.463 16.010 1.00 25.00 O ATOM 0 H GLU A 23 23.744 -2.577 16.370 1.00 25.00 H new ATOM 0 HA GLU A 23 22.965 -4.097 13.956 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.219 -4.304 15.214 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.307 -5.025 16.525 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.568 -6.845 15.038 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.421 -6.113 13.694 1.00 25.00 H new ATOM 349 N LEU A 24 21.199 -5.577 14.923 1.00 25.00 N ATOM 350 CA LEU A 24 20.037 -6.303 15.433 1.00 25.00 C ATOM 351 C LEU A 24 20.514 -7.531 16.190 1.00 25.00 C ATOM 352 O LEU A 24 21.679 -7.883 16.146 1.00 25.00 O ATOM 353 CB LEU A 24 19.117 -6.753 14.288 1.00 25.00 C ATOM 354 CG LEU A 24 18.332 -5.652 13.565 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.429 -6.264 12.502 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.496 -4.848 14.554 1.00 25.00 C ATOM 0 H LEU A 24 21.487 -5.852 13.984 1.00 25.00 H new ATOM 0 HA LEU A 24 19.476 -5.638 16.089 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.723 -7.279 13.551 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.404 -7.474 14.687 1.00 25.00 H new ATOM 0 HG LEU A 24 19.045 -4.981 13.086 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.876 -5.473 11.995 1.00 25.00 H new ATOM 0 HD12 LEU A 24 18.036 -6.805 11.776 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.727 -6.952 12.973 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.947 -4.072 14.020 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.791 -5.510 15.057 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.151 -4.386 15.293 1.00 25.00 H new ATOM 368 N SER A 25 19.594 -8.200 16.860 1.00 25.00 N ATOM 369 CA SER A 25 19.882 -9.460 17.518 1.00 25.00 C ATOM 370 C SER A 25 18.695 -10.360 17.228 1.00 25.00 C ATOM 371 O SER A 25 17.550 -9.914 17.281 1.00 25.00 O ATOM 372 CB SER A 25 20.070 -9.254 19.021 1.00 25.00 C ATOM 373 OG SER A 25 19.119 -8.329 19.529 1.00 25.00 O ATOM 0 H SER A 25 18.629 -7.886 16.963 1.00 25.00 H new ATOM 0 HA SER A 25 20.808 -9.903 17.153 1.00 25.00 H new ATOM 0 HB2 SER A 25 19.968 -10.208 19.538 1.00 25.00 H new ATOM 0 HB3 SER A 25 21.078 -8.891 19.219 1.00 25.00 H new ATOM 0 HG SER A 25 19.257 -8.214 20.492 1.00 25.00 H new ATOM 379 N PHE A 26 18.977 -11.600 16.861 1.00 25.00 N ATOM 380 CA PHE A 26 17.926 -12.566 16.486 1.00 25.00 C ATOM 381 C PHE A 26 18.377 -14.026 16.600 1.00 25.00 C ATOM 382 O PHE A 26 19.551 -14.318 16.819 1.00 25.00 O ATOM 383 CB PHE A 26 17.416 -12.298 15.057 1.00 25.00 C ATOM 384 CG PHE A 26 18.490 -12.273 14.015 1.00 25.00 C ATOM 385 CD1 PHE A 26 18.925 -11.049 13.489 1.00 25.00 C ATOM 386 CD2 PHE A 26 19.071 -13.462 13.533 1.00 25.00 C ATOM 387 CE1 PHE A 26 19.918 -11.008 12.496 1.00 25.00 C ATOM 388 CE2 PHE A 26 20.079 -13.420 12.533 1.00 25.00 C ATOM 389 CZ PHE A 26 20.490 -12.196 12.011 1.00 25.00 C ATOM 0 H PHE A 26 19.925 -11.974 16.811 1.00 25.00 H new ATOM 0 HA PHE A 26 17.118 -12.417 17.202 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.688 -13.065 14.794 1.00 25.00 H new ATOM 0 HB3 PHE A 26 16.891 -11.343 15.044 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.492 -10.128 13.851 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.747 -14.414 13.927 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.244 -10.056 12.103 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.526 -14.337 12.178 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.244 -12.160 11.238 1.00 25.00 H new ATOM 399 N ARG A 27 17.421 -14.928 16.435 1.00 25.00 N ATOM 400 CA ARG A 27 17.636 -16.374 16.522 1.00 25.00 C ATOM 401 C ARG A 27 17.572 -16.971 15.116 1.00 25.00 C ATOM 402 O ARG A 27 16.859 -16.480 14.247 1.00 25.00 O ATOM 403 CB ARG A 27 16.508 -16.953 17.414 1.00 25.00 C ATOM 404 CG ARG A 27 16.360 -18.492 17.487 1.00 25.00 C ATOM 405 CD ARG A 27 17.331 -19.152 18.456 1.00 25.00 C ATOM 406 NE ARG A 27 17.226 -20.625 18.385 1.00 25.00 N ATOM 407 CZ ARG A 27 18.208 -21.464 18.057 1.00 25.00 C ATOM 408 NH1 ARG A 27 19.413 -21.069 17.750 1.00 25.00 N ATOM 409 NH2 ARG A 27 17.967 -22.746 18.044 1.00 25.00 N ATOM 0 H ARG A 27 16.454 -14.676 16.233 1.00 25.00 H new ATOM 0 HA ARG A 27 18.610 -16.611 16.951 1.00 25.00 H new ATOM 0 HB2 ARG A 27 16.661 -16.583 18.428 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.561 -16.542 17.064 1.00 25.00 H new ATOM 0 HG2 ARG A 27 15.340 -18.737 17.784 1.00 25.00 H new ATOM 0 HG3 ARG A 27 16.511 -18.911 16.492 1.00 25.00 H new ATOM 0 HD2 ARG A 27 18.350 -18.844 18.222 1.00 25.00 H new ATOM 0 HD3 ARG A 27 17.122 -18.817 19.472 1.00 25.00 H new ATOM 0 HE ARG A 27 16.320 -21.036 18.607 1.00 25.00 H new ATOM 0 HH11 ARG A 27 19.640 -20.075 17.754 1.00 25.00 H new ATOM 0 HH12 ARG A 27 20.128 -21.755 17.506 1.00 25.00 H new ATOM 0 HH21 ARG A 27 17.038 -23.093 18.283 1.00 25.00 H new ATOM 0 HH22 ARG A 27 18.708 -23.402 17.795 1.00 25.00 H new ATOM 423 N LYS A 28 18.299 -18.058 14.911 1.00 25.00 N ATOM 424 CA LYS A 28 18.239 -18.824 13.670 1.00 25.00 C ATOM 425 C LYS A 28 16.786 -19.160 13.335 1.00 25.00 C ATOM 426 O LYS A 28 16.057 -19.708 14.155 1.00 25.00 O ATOM 427 CB LYS A 28 19.046 -20.113 13.839 1.00 25.00 C ATOM 428 CG LYS A 28 18.929 -21.070 12.675 1.00 25.00 C ATOM 429 CD LYS A 28 19.775 -22.307 12.905 1.00 25.00 C ATOM 430 CE LYS A 28 19.660 -23.260 11.730 1.00 25.00 C ATOM 431 NZ LYS A 28 20.463 -24.493 11.971 1.00 25.00 N ATOM 0 H LYS A 28 18.949 -18.437 15.600 1.00 25.00 H new ATOM 0 HA LYS A 28 18.659 -18.234 12.855 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.096 -19.856 13.980 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.717 -20.619 14.746 1.00 25.00 H new ATOM 0 HG2 LYS A 28 17.886 -21.358 12.539 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.245 -20.574 11.758 1.00 25.00 H new ATOM 0 HD2 LYS A 28 20.817 -22.020 13.047 1.00 25.00 H new ATOM 0 HD3 LYS A 28 19.455 -22.808 13.819 1.00 25.00 H new ATOM 0 HE2 LYS A 28 18.615 -23.526 11.572 1.00 25.00 H new ATOM 0 HE3 LYS A 28 20.005 -22.767 10.821 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 20.371 -25.132 11.156 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 21.463 -24.237 12.099 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 20.116 -24.972 12.827 1.00 25.00 H new ATOM 445 N GLY A 29 16.388 -18.850 12.110 1.00 25.00 N ATOM 446 CA GLY A 29 15.036 -19.113 11.647 1.00 25.00 C ATOM 447 C GLY A 29 14.140 -17.890 11.635 1.00 25.00 C ATOM 448 O GLY A 29 13.077 -17.927 11.011 1.00 25.00 O ATOM 0 H GLY A 29 16.990 -18.412 11.413 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.082 -19.527 10.640 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.586 -19.874 12.284 1.00 25.00 H new ATOM 452 N ASP A 30 14.563 -16.811 12.282 1.00 25.00 N ATOM 453 CA ASP A 30 13.758 -15.591 12.363 1.00 25.00 C ATOM 454 C ASP A 30 13.684 -14.929 11.002 1.00 25.00 C ATOM 455 O ASP A 30 14.563 -15.130 10.155 1.00 25.00 O ATOM 456 CB ASP A 30 14.365 -14.595 13.361 1.00 25.00 C ATOM 457 CG ASP A 30 14.101 -14.977 14.813 1.00 25.00 C ATOM 458 OD1 ASP A 30 13.247 -15.853 15.063 1.00 25.00 O ATOM 459 OD2 ASP A 30 14.736 -14.375 15.711 1.00 25.00 O ATOM 0 H ASP A 30 15.462 -16.753 12.761 1.00 25.00 H new ATOM 0 HA ASP A 30 12.760 -15.872 12.701 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.441 -14.533 13.196 1.00 25.00 H new ATOM 0 HB3 ASP A 30 13.956 -13.603 13.171 1.00 25.00 H new ATOM 464 N ILE A 31 12.645 -14.130 10.804 1.00 25.00 N ATOM 465 CA ILE A 31 12.444 -13.405 9.554 1.00 25.00 C ATOM 466 C ILE A 31 12.522 -11.916 9.834 1.00 25.00 C ATOM 467 O ILE A 31 11.828 -11.412 10.709 1.00 25.00 O ATOM 468 CB ILE A 31 11.045 -13.695 8.931 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.875 -15.194 8.634 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.853 -12.873 7.630 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.931 -15.802 7.722 1.00 25.00 C ATOM 0 H ILE A 31 11.919 -13.965 11.502 1.00 25.00 H new ATOM 0 HA ILE A 31 13.215 -13.730 8.856 1.00 25.00 H new ATOM 0 HB ILE A 31 10.286 -13.399 9.655 1.00 25.00 H new ATOM 0 HG12 ILE A 31 10.879 -15.737 9.579 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.896 -15.349 8.181 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.872 -13.086 7.206 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.927 -11.810 7.857 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.625 -13.145 6.911 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.720 -16.861 7.576 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.916 -15.293 6.758 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.915 -15.688 8.177 1.00 25.00 H new ATOM 483 N MET A 32 13.337 -11.216 9.063 1.00 25.00 N ATOM 484 CA MET A 32 13.447 -9.768 9.168 1.00 25.00 C ATOM 485 C MET A 32 13.226 -9.150 7.807 1.00 25.00 C ATOM 486 O MET A 32 13.435 -9.790 6.770 1.00 25.00 O ATOM 487 CB MET A 32 14.811 -9.364 9.725 1.00 25.00 C ATOM 488 CG MET A 32 15.997 -9.926 8.969 1.00 25.00 C ATOM 489 SD MET A 32 17.286 -10.376 10.129 1.00 25.00 S ATOM 490 CE MET A 32 16.583 -11.914 10.855 1.00 25.00 C ATOM 0 H MET A 32 13.938 -11.630 8.351 1.00 25.00 H new ATOM 0 HA MET A 32 12.686 -9.404 9.858 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.880 -8.276 9.725 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.874 -9.687 10.764 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.693 -10.798 8.391 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.373 -9.188 8.260 1.00 25.00 H new ATOM 0 HE1 MET A 32 16.606 -11.847 11.943 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.553 -12.036 10.521 1.00 25.00 H new ATOM 0 HE3 MET A 32 17.173 -12.772 10.532 1.00 25.00 H new ATOM 500 N THR A 33 12.783 -7.909 7.825 1.00 25.00 N ATOM 501 CA THR A 33 12.502 -7.162 6.604 1.00 25.00 C ATOM 502 C THR A 33 13.757 -6.428 6.172 1.00 25.00 C ATOM 503 O THR A 33 14.206 -5.537 6.869 1.00 25.00 O ATOM 504 CB THR A 33 11.391 -6.120 6.838 1.00 25.00 C ATOM 505 OG1 THR A 33 10.193 -6.794 7.234 1.00 25.00 O ATOM 506 CG2 THR A 33 11.108 -5.322 5.579 1.00 25.00 C ATOM 0 H THR A 33 12.606 -7.386 8.683 1.00 25.00 H new ATOM 0 HA THR A 33 12.177 -7.867 5.839 1.00 25.00 H new ATOM 0 HB THR A 33 11.726 -5.434 7.616 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.483 -6.136 7.386 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.320 -4.596 5.778 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.013 -4.799 5.268 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.788 -5.997 4.785 1.00 25.00 H new ATOM 514 N VAL A 34 14.318 -6.798 5.034 1.00 25.00 N ATOM 515 CA VAL A 34 15.515 -6.142 4.517 1.00 25.00 C ATOM 516 C VAL A 34 15.104 -4.848 3.860 1.00 25.00 C ATOM 517 O VAL A 34 14.243 -4.817 2.971 1.00 25.00 O ATOM 518 CB VAL A 34 16.263 -7.013 3.497 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.600 -6.374 3.092 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.512 -8.389 4.084 1.00 25.00 C ATOM 0 H VAL A 34 13.965 -7.552 4.445 1.00 25.00 H new ATOM 0 HA VAL A 34 16.193 -5.964 5.352 1.00 25.00 H new ATOM 0 HB VAL A 34 15.643 -7.099 2.605 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.105 -7.015 2.369 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.416 -5.397 2.645 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.229 -6.256 3.974 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.043 -9.004 3.357 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.113 -8.295 4.988 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.559 -8.858 4.329 1.00 25.00 H new ATOM 530 N LEU A 35 15.707 -3.774 4.321 1.00 25.00 N ATOM 531 CA LEU A 35 15.423 -2.451 3.822 1.00 25.00 C ATOM 532 C LEU A 35 16.447 -2.111 2.754 1.00 25.00 C ATOM 533 O LEU A 35 16.087 -1.730 1.655 1.00 25.00 O ATOM 534 CB LEU A 35 15.475 -1.457 4.977 1.00 25.00 C ATOM 535 CG LEU A 35 14.466 -1.751 6.098 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.735 -0.832 7.253 1.00 25.00 C ATOM 537 CD2 LEU A 35 13.021 -1.586 5.622 1.00 25.00 C ATOM 0 H LEU A 35 16.412 -3.797 5.057 1.00 25.00 H new ATOM 0 HA LEU A 35 14.427 -2.405 3.382 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.481 -1.456 5.398 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.291 -0.455 4.590 1.00 25.00 H new ATOM 0 HG LEU A 35 14.589 -2.789 6.406 1.00 25.00 H new ATOM 0 HD11 LEU A 35 14.023 -1.035 8.053 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.748 -0.995 7.620 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.630 0.203 6.927 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.340 -1.803 6.445 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.865 -0.562 5.282 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.828 -2.275 4.800 1.00 25.00 H new ATOM 549 N GLU A 36 17.715 -2.340 3.045 1.00 25.00 N ATOM 550 CA GLU A 36 18.761 -2.181 2.034 1.00 25.00 C ATOM 551 C GLU A 36 19.918 -3.100 2.374 1.00 25.00 C ATOM 552 O GLU A 36 19.907 -3.755 3.414 1.00 25.00 O ATOM 553 CB GLU A 36 19.215 -0.716 1.909 1.00 25.00 C ATOM 554 CG GLU A 36 20.084 -0.202 2.984 1.00 25.00 C ATOM 555 CD GLU A 36 20.333 1.293 2.852 1.00 25.00 C ATOM 556 OE1 GLU A 36 20.729 1.913 3.861 1.00 25.00 O ATOM 557 OE2 GLU A 36 20.112 1.850 1.759 1.00 25.00 O ATOM 0 H GLU A 36 18.050 -2.634 3.962 1.00 25.00 H new ATOM 0 HA GLU A 36 18.360 -2.458 1.059 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.741 -0.602 0.961 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.326 -0.087 1.858 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.625 -0.409 3.951 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.037 -0.731 2.964 1.00 25.00 H new ATOM 564 N ARG A 37 20.907 -3.163 1.501 1.00 25.00 N ATOM 565 CA ARG A 37 22.083 -3.999 1.720 1.00 25.00 C ATOM 566 C ARG A 37 23.276 -3.110 1.520 1.00 25.00 C ATOM 567 O ARG A 37 23.181 -2.156 0.764 1.00 25.00 O ATOM 568 CB ARG A 37 22.138 -5.138 0.711 1.00 25.00 C ATOM 569 CG ARG A 37 20.923 -6.051 0.740 1.00 25.00 C ATOM 570 CD ARG A 37 21.155 -7.306 -0.088 1.00 25.00 C ATOM 571 NE ARG A 37 21.812 -6.994 -1.369 1.00 25.00 N ATOM 572 CZ ARG A 37 22.193 -7.881 -2.277 1.00 25.00 C ATOM 573 NH1 ARG A 37 21.988 -9.167 -2.124 1.00 25.00 N ATOM 574 NH2 ARG A 37 22.795 -7.462 -3.355 1.00 25.00 N ATOM 0 H ARG A 37 20.922 -2.642 0.625 1.00 25.00 H new ATOM 0 HA ARG A 37 22.057 -4.439 2.717 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.240 -4.718 -0.290 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.031 -5.733 0.899 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.698 -6.329 1.770 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.054 -5.516 0.357 1.00 25.00 H new ATOM 0 HD2 ARG A 37 21.770 -8.007 0.476 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.202 -7.799 -0.278 1.00 25.00 H new ATOM 0 HE ARG A 37 21.989 -6.011 -1.575 1.00 25.00 H new ATOM 0 HH11 ARG A 37 21.522 -9.513 -1.285 1.00 25.00 H new ATOM 0 HH12 ARG A 37 22.295 -9.822 -2.844 1.00 25.00 H new ATOM 0 HH21 ARG A 37 22.966 -6.465 -3.489 1.00 25.00 H new ATOM 0 HH22 ARG A 37 23.095 -8.131 -4.064 1.00 25.00 H new ATOM 588 N ASP A 38 24.366 -3.437 2.199 1.00 25.00 N ATOM 589 CA ASP A 38 25.635 -2.715 2.089 1.00 25.00 C ATOM 590 C ASP A 38 25.384 -1.253 2.493 1.00 25.00 C ATOM 591 O ASP A 38 25.893 -0.288 1.922 1.00 25.00 O ATOM 592 CB ASP A 38 26.218 -2.934 0.689 1.00 25.00 C ATOM 593 CG ASP A 38 26.194 -4.419 0.293 1.00 25.00 C ATOM 594 OD1 ASP A 38 26.735 -5.253 1.074 1.00 25.00 O ATOM 595 OD2 ASP A 38 25.503 -4.784 -0.695 1.00 25.00 O ATOM 0 H ASP A 38 24.399 -4.220 2.851 1.00 25.00 H new ATOM 0 HA ASP A 38 26.402 -3.087 2.769 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.649 -2.354 -0.038 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.243 -2.565 0.659 1.00 25.00 H new ATOM 600 N THR A 39 24.522 -1.144 3.495 1.00 25.00 N ATOM 601 CA THR A 39 24.034 0.126 4.035 1.00 25.00 C ATOM 602 C THR A 39 25.152 0.912 4.706 1.00 25.00 C ATOM 603 O THR A 39 26.063 0.331 5.256 1.00 25.00 O ATOM 604 CB THR A 39 22.925 -0.139 5.076 1.00 25.00 C ATOM 605 OG1 THR A 39 22.509 1.081 5.688 1.00 25.00 O ATOM 606 CG2 THR A 39 23.359 -1.100 6.142 1.00 25.00 C ATOM 0 H THR A 39 24.130 -1.957 3.970 1.00 25.00 H new ATOM 0 HA THR A 39 23.644 0.710 3.202 1.00 25.00 H new ATOM 0 HB THR A 39 22.092 -0.588 4.535 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.660 1.371 5.295 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.543 -1.252 6.849 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.626 -2.053 5.686 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.223 -0.694 6.668 1.00 25.00 H new ATOM 614 N GLN A 40 25.068 2.236 4.634 1.00 25.00 N ATOM 615 CA GLN A 40 26.075 3.151 5.205 1.00 25.00 C ATOM 616 C GLN A 40 27.490 2.909 4.646 1.00 25.00 C ATOM 617 O GLN A 40 28.473 3.369 5.216 1.00 25.00 O ATOM 618 CB GLN A 40 26.098 3.081 6.746 1.00 25.00 C ATOM 619 CG GLN A 40 24.719 3.001 7.403 1.00 25.00 C ATOM 620 CD GLN A 40 24.738 3.433 8.862 1.00 25.00 C ATOM 621 OE1 GLN A 40 24.978 4.589 9.160 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.460 2.521 9.758 1.00 25.00 N ATOM 0 H GLN A 40 24.295 2.718 4.175 1.00 25.00 H new ATOM 0 HA GLN A 40 25.769 4.152 4.902 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.680 2.210 7.048 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.617 3.960 7.128 1.00 25.00 H new ATOM 0 HG2 GLN A 40 24.021 3.630 6.851 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.348 1.978 7.336 1.00 25.00 H new ATOM 0 HE21 GLN A 40 24.265 1.563 9.467 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.439 2.768 10.747 1.00 25.00 H new ATOM 631 N GLY A 41 27.582 2.177 3.540 1.00 25.00 N ATOM 632 CA GLY A 41 28.872 1.837 2.961 1.00 25.00 C ATOM 633 C GLY A 41 29.515 0.667 3.685 1.00 25.00 C ATOM 634 O GLY A 41 30.702 0.400 3.515 1.00 25.00 O ATOM 0 H GLY A 41 26.779 1.810 3.030 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.745 1.589 1.907 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.533 2.703 3.008 1.00 25.00 H new ATOM 638 N LEU A 42 28.740 -0.020 4.513 1.00 25.00 N ATOM 639 CA LEU A 42 29.233 -1.147 5.276 1.00 25.00 C ATOM 640 C LEU A 42 29.029 -2.409 4.453 1.00 25.00 C ATOM 641 O LEU A 42 27.973 -3.033 4.502 1.00 25.00 O ATOM 642 CB LEU A 42 28.471 -1.241 6.595 1.00 25.00 C ATOM 643 CG LEU A 42 28.517 -0.006 7.497 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.464 -0.142 8.573 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.870 0.149 8.129 1.00 25.00 C ATOM 0 H LEU A 42 27.755 0.191 4.671 1.00 25.00 H new ATOM 0 HA LEU A 42 30.293 -1.024 5.498 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.427 -1.462 6.372 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.863 -2.089 7.156 1.00 25.00 H new ATOM 0 HG LEU A 42 28.322 0.879 6.891 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.490 0.734 9.220 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.480 -0.223 8.111 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.662 -1.036 9.164 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.875 1.034 8.765 1.00 25.00 H new ATOM 0 HD22 LEU A 42 30.093 -0.732 8.731 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.625 0.257 7.350 1.00 25.00 H new ATOM 657 N ASP A 43 30.031 -2.764 3.670 1.00 25.00 N ATOM 658 CA ASP A 43 29.942 -3.937 2.797 1.00 25.00 C ATOM 659 C ASP A 43 29.633 -5.187 3.607 1.00 25.00 C ATOM 660 O ASP A 43 30.277 -5.477 4.618 1.00 25.00 O ATOM 661 CB ASP A 43 31.253 -4.159 2.039 1.00 25.00 C ATOM 662 CG ASP A 43 31.361 -3.306 0.793 1.00 25.00 C ATOM 663 OD1 ASP A 43 30.431 -3.353 -0.040 1.00 25.00 O ATOM 664 OD2 ASP A 43 32.404 -2.647 0.609 1.00 25.00 O ATOM 0 H ASP A 43 30.918 -2.263 3.615 1.00 25.00 H new ATOM 0 HA ASP A 43 29.138 -3.750 2.085 1.00 25.00 H new ATOM 0 HB2 ASP A 43 32.091 -3.937 2.699 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.334 -5.210 1.762 1.00 25.00 H new ATOM 669 N GLY A 44 28.631 -5.932 3.166 1.00 25.00 N ATOM 670 CA GLY A 44 28.258 -7.158 3.844 1.00 25.00 C ATOM 671 C GLY A 44 27.252 -6.970 4.962 1.00 25.00 C ATOM 672 O GLY A 44 26.663 -7.952 5.417 1.00 25.00 O ATOM 0 H GLY A 44 28.066 -5.709 2.346 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.845 -7.853 3.113 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.156 -7.621 4.253 1.00 25.00 H new ATOM 676 N TRP A 45 27.025 -5.741 5.398 1.00 25.00 N ATOM 677 CA TRP A 45 26.041 -5.459 6.428 1.00 25.00 C ATOM 678 C TRP A 45 24.723 -5.086 5.757 1.00 25.00 C ATOM 679 O TRP A 45 24.689 -4.257 4.860 1.00 25.00 O ATOM 680 CB TRP A 45 26.550 -4.297 7.268 1.00 25.00 C ATOM 681 CG TRP A 45 27.624 -4.706 8.239 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.954 -4.445 8.157 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.455 -5.443 9.461 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.632 -4.933 9.233 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.742 -5.564 10.064 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.346 -6.001 10.117 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.936 -6.226 11.294 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.533 -6.656 11.354 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.825 -6.766 11.927 1.00 25.00 C ATOM 0 H TRP A 45 27.515 -4.917 5.050 1.00 25.00 H new ATOM 0 HA TRP A 45 25.883 -6.329 7.066 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.939 -3.521 6.609 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.717 -3.860 7.818 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.418 -3.915 7.338 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.635 -4.844 9.394 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.361 -5.930 9.680 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.920 -6.310 11.731 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.683 -7.078 11.869 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.947 -7.278 12.870 1.00 25.00 H new ATOM 700 N TRP A 46 23.629 -5.710 6.166 1.00 25.00 N ATOM 701 CA TRP A 46 22.326 -5.462 5.544 1.00 25.00 C ATOM 702 C TRP A 46 21.391 -4.795 6.538 1.00 25.00 C ATOM 703 O TRP A 46 21.219 -5.282 7.647 1.00 25.00 O ATOM 704 CB TRP A 46 21.713 -6.780 5.043 1.00 25.00 C ATOM 705 CG TRP A 46 22.523 -7.455 3.946 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.644 -6.985 3.334 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.269 -8.738 3.331 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.108 -7.849 2.396 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.299 -8.950 2.367 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.279 -9.728 3.494 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.365 -10.116 1.580 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.352 -10.907 2.710 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.391 -11.084 1.759 1.00 25.00 C ATOM 0 H TRP A 46 23.612 -6.392 6.924 1.00 25.00 H new ATOM 0 HA TRP A 46 22.467 -4.797 4.692 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.614 -7.467 5.884 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.707 -6.584 4.671 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.109 -6.038 3.567 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.928 -7.701 1.808 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.478 -9.591 4.205 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.155 -10.252 0.856 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.608 -11.680 2.838 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.422 -11.986 1.167 1.00 25.00 H new ATOM 724 N LEU A 47 20.796 -3.680 6.143 1.00 25.00 N ATOM 725 CA LEU A 47 19.867 -2.954 7.003 1.00 25.00 C ATOM 726 C LEU A 47 18.556 -3.694 6.997 1.00 25.00 C ATOM 727 O LEU A 47 17.935 -3.846 5.949 1.00 25.00 O ATOM 728 CB LEU A 47 19.639 -1.537 6.474 1.00 25.00 C ATOM 729 CG LEU A 47 18.665 -0.645 7.264 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.079 -0.499 8.727 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.571 0.730 6.611 1.00 25.00 C ATOM 0 H LEU A 47 20.940 -3.254 5.227 1.00 25.00 H new ATOM 0 HA LEU A 47 20.278 -2.887 8.010 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.604 -1.031 6.433 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.274 -1.612 5.450 1.00 25.00 H new ATOM 0 HG LEU A 47 17.689 -1.129 7.245 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.363 0.139 9.246 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.099 -1.481 9.199 1.00 25.00 H new ATOM 0 HD13 LEU A 47 20.071 -0.050 8.781 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.880 1.355 7.176 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.556 1.196 6.601 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.210 0.623 5.588 1.00 25.00 H new ATOM 743 N CYS A 48 18.128 -4.153 8.156 1.00 25.00 N ATOM 744 CA CYS A 48 16.874 -4.865 8.268 1.00 25.00 C ATOM 745 C CYS A 48 16.067 -4.331 9.431 1.00 25.00 C ATOM 746 O CYS A 48 16.565 -3.569 10.258 1.00 25.00 O ATOM 747 CB CYS A 48 17.131 -6.367 8.455 1.00 25.00 C ATOM 748 SG CYS A 48 18.349 -7.058 7.297 1.00 25.00 S ATOM 0 H CYS A 48 18.633 -4.044 9.035 1.00 25.00 H new ATOM 0 HA CYS A 48 16.308 -4.715 7.349 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.474 -6.542 9.475 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.189 -6.904 8.339 1.00 25.00 H new ATOM 0 HG CYS A 48 19.485 -6.443 7.444 1.00 25.00 H new ATOM 754 N SER A 49 14.818 -4.755 9.498 1.00 25.00 N ATOM 755 CA SER A 49 13.924 -4.401 10.583 1.00 25.00 C ATOM 756 C SER A 49 13.341 -5.691 11.140 1.00 25.00 C ATOM 757 O SER A 49 12.902 -6.571 10.392 1.00 25.00 O ATOM 758 CB SER A 49 12.840 -3.447 10.073 1.00 25.00 C ATOM 759 OG SER A 49 11.552 -4.030 10.104 1.00 25.00 O ATOM 0 H SER A 49 14.393 -5.360 8.795 1.00 25.00 H new ATOM 0 HA SER A 49 14.453 -3.878 11.380 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.841 -2.542 10.680 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.075 -3.146 9.052 1.00 25.00 H new ATOM 0 HG SER A 49 10.893 -3.385 9.772 1.00 25.00 H new ATOM 765 N LEU A 50 13.413 -5.824 12.454 1.00 25.00 N ATOM 766 CA LEU A 50 12.948 -7.010 13.159 1.00 25.00 C ATOM 767 C LEU A 50 12.354 -6.554 14.473 1.00 25.00 C ATOM 768 O LEU A 50 12.979 -5.788 15.194 1.00 25.00 O ATOM 769 CB LEU A 50 14.124 -7.950 13.437 1.00 25.00 C ATOM 770 CG LEU A 50 13.757 -9.248 14.165 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.932 -10.430 13.263 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.605 -9.400 15.415 1.00 25.00 C ATOM 0 H LEU A 50 13.799 -5.107 13.068 1.00 25.00 H new ATOM 0 HA LEU A 50 12.211 -7.543 12.558 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.598 -8.204 12.489 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.865 -7.415 14.031 1.00 25.00 H new ATOM 0 HG LEU A 50 12.708 -9.199 14.456 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.666 -11.340 13.800 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.287 -10.321 12.391 1.00 25.00 H new ATOM 0 HD13 LEU A 50 14.971 -10.490 12.940 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.337 -10.325 15.926 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.659 -9.430 15.138 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.428 -8.554 16.080 1.00 25.00 H new ATOM 784 N HIS A 51 11.136 -6.993 14.759 1.00 25.00 N ATOM 785 CA HIS A 51 10.443 -6.679 16.018 1.00 25.00 C ATOM 786 C HIS A 51 10.336 -5.165 16.279 1.00 25.00 C ATOM 787 O HIS A 51 10.332 -4.721 17.422 1.00 25.00 O ATOM 788 CB HIS A 51 11.152 -7.372 17.199 1.00 25.00 C ATOM 789 CG HIS A 51 11.236 -8.864 17.063 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.059 -9.661 17.818 1.00 25.00 N ATOM 791 CD2 HIS A 51 10.581 -9.723 16.232 1.00 25.00 C ATOM 792 CE1 HIS A 51 11.885 -10.923 17.431 1.00 25.00 C ATOM 793 NE2 HIS A 51 10.988 -11.018 16.472 1.00 25.00 N ATOM 0 H HIS A 51 10.592 -7.580 14.127 1.00 25.00 H new ATOM 0 HA HIS A 51 9.425 -7.057 15.924 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.160 -6.968 17.294 1.00 25.00 H new ATOM 0 HB3 HIS A 51 10.623 -7.130 18.121 1.00 25.00 H new ATOM 0 HD2 HIS A 51 9.849 -9.432 15.493 1.00 25.00 H new ATOM 0 HE1 HIS A 51 12.414 -11.765 17.852 1.00 25.00 H new ATOM 0 HE2 HIS A 51 10.664 -11.866 16.007 1.00 25.00 H new ATOM 801 N GLY A 52 10.248 -4.379 15.214 1.00 25.00 N ATOM 802 CA GLY A 52 10.127 -2.934 15.356 1.00 25.00 C ATOM 803 C GLY A 52 11.441 -2.220 15.629 1.00 25.00 C ATOM 804 O GLY A 52 11.452 -1.022 15.909 1.00 25.00 O ATOM 0 H GLY A 52 10.258 -4.714 14.250 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.688 -2.527 14.445 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.434 -2.717 16.169 1.00 25.00 H new ATOM 808 N ARG A 53 12.553 -2.935 15.529 1.00 25.00 N ATOM 809 CA ARG A 53 13.879 -2.371 15.753 1.00 25.00 C ATOM 810 C ARG A 53 14.561 -2.456 14.409 1.00 25.00 C ATOM 811 O ARG A 53 14.398 -3.439 13.698 1.00 25.00 O ATOM 812 CB ARG A 53 14.626 -3.207 16.806 1.00 25.00 C ATOM 813 CG ARG A 53 15.578 -2.429 17.728 1.00 25.00 C ATOM 814 CD ARG A 53 16.881 -2.006 17.040 1.00 25.00 C ATOM 815 NE ARG A 53 17.944 -1.748 18.026 1.00 25.00 N ATOM 816 CZ ARG A 53 19.162 -1.289 17.748 1.00 25.00 C ATOM 817 NH1 ARG A 53 19.556 -0.985 16.537 1.00 25.00 N ATOM 818 NH2 ARG A 53 20.007 -1.120 18.725 1.00 25.00 N ATOM 0 H ARG A 53 12.562 -3.926 15.289 1.00 25.00 H new ATOM 0 HA ARG A 53 13.850 -1.347 16.126 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.889 -3.719 17.425 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.199 -3.977 16.290 1.00 25.00 H new ATOM 0 HG2 ARG A 53 15.067 -1.541 18.099 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.817 -3.045 18.595 1.00 25.00 H new ATOM 0 HD2 ARG A 53 17.202 -2.787 16.351 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.707 -1.109 16.446 1.00 25.00 H new ATOM 0 HE ARG A 53 17.729 -1.937 19.005 1.00 25.00 H new ATOM 0 HH11 ARG A 53 18.917 -1.096 15.750 1.00 25.00 H new ATOM 0 HH12 ARG A 53 20.502 -0.637 16.381 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.730 -1.338 19.682 1.00 25.00 H new ATOM 0 HH22 ARG A 53 20.945 -0.769 18.533 1.00 25.00 H new ATOM 832 N GLN A 54 15.299 -1.427 14.047 1.00 25.00 N ATOM 833 CA GLN A 54 16.019 -1.405 12.782 1.00 25.00 C ATOM 834 C GLN A 54 17.501 -1.514 13.076 1.00 25.00 C ATOM 835 O GLN A 54 17.965 -0.990 14.088 1.00 25.00 O ATOM 836 CB GLN A 54 15.733 -0.101 12.046 1.00 25.00 C ATOM 837 CG GLN A 54 15.080 -0.303 10.721 1.00 25.00 C ATOM 838 CD GLN A 54 14.753 1.006 10.031 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.598 1.334 9.832 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.766 1.748 9.657 1.00 25.00 N ATOM 0 H GLN A 54 15.419 -0.587 14.613 1.00 25.00 H new ATOM 0 HA GLN A 54 15.699 -2.236 12.154 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.093 0.526 12.667 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.668 0.441 11.904 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.737 -0.893 10.082 1.00 25.00 H new ATOM 0 HG3 GLN A 54 14.164 -0.879 10.855 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.720 1.439 9.842 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.600 2.635 9.181 1.00 25.00 H new ATOM 849 N GLY A 55 18.240 -2.185 12.211 1.00 25.00 N ATOM 850 CA GLY A 55 19.668 -2.303 12.405 1.00 25.00 C ATOM 851 C GLY A 55 20.356 -3.122 11.338 1.00 25.00 C ATOM 852 O GLY A 55 19.701 -3.727 10.489 1.00 25.00 O ATOM 0 H GLY A 55 17.878 -2.650 11.378 1.00 25.00 H new ATOM 0 HA2 GLY A 55 20.107 -1.306 12.426 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.858 -2.756 13.378 1.00 25.00 H new ATOM 856 N ILE A 56 21.677 -3.121 11.368 1.00 25.00 N ATOM 857 CA ILE A 56 22.484 -3.868 10.418 1.00 25.00 C ATOM 858 C ILE A 56 22.593 -5.318 10.874 1.00 25.00 C ATOM 859 O ILE A 56 22.436 -5.637 12.055 1.00 25.00 O ATOM 860 CB ILE A 56 23.898 -3.234 10.244 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.702 -3.312 11.563 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.745 -1.772 9.791 1.00 25.00 C ATOM 863 CD1 ILE A 56 26.098 -2.711 11.496 1.00 25.00 C ATOM 0 H ILE A 56 22.223 -2.600 12.054 1.00 25.00 H new ATOM 0 HA ILE A 56 21.995 -3.832 9.445 1.00 25.00 H new ATOM 0 HB ILE A 56 24.448 -3.792 9.486 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.140 -2.803 12.345 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.786 -4.357 11.860 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.731 -1.324 9.668 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.211 -1.739 8.842 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.185 -1.215 10.542 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.585 -2.812 12.466 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.684 -3.234 10.740 1.00 25.00 H new ATOM 0 HD13 ILE A 56 26.027 -1.655 11.234 1.00 25.00 H new ATOM 875 N VAL A 57 22.811 -6.191 9.907 1.00 25.00 N ATOM 876 CA VAL A 57 22.906 -7.632 10.136 1.00 25.00 C ATOM 877 C VAL A 57 23.984 -8.187 9.213 1.00 25.00 C ATOM 878 O VAL A 57 24.071 -7.768 8.058 1.00 25.00 O ATOM 879 CB VAL A 57 21.572 -8.324 9.761 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.649 -9.817 9.923 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.418 -7.764 10.589 1.00 25.00 C ATOM 0 H VAL A 57 22.929 -5.923 8.930 1.00 25.00 H new ATOM 0 HA VAL A 57 23.135 -7.814 11.186 1.00 25.00 H new ATOM 0 HB VAL A 57 21.387 -8.112 8.708 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.693 -10.262 9.650 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.432 -10.213 9.276 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.878 -10.059 10.961 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.492 -8.265 10.308 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.615 -7.932 11.648 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.322 -6.694 10.403 1.00 25.00 H new ATOM 891 N PRO A 58 24.801 -9.148 9.678 1.00 25.00 N ATOM 892 CA PRO A 58 25.775 -9.736 8.756 1.00 25.00 C ATOM 893 C PRO A 58 25.077 -10.563 7.663 1.00 25.00 C ATOM 894 O PRO A 58 24.373 -11.541 7.940 1.00 25.00 O ATOM 895 CB PRO A 58 26.635 -10.599 9.682 1.00 25.00 C ATOM 896 CG PRO A 58 25.715 -10.983 10.781 1.00 25.00 C ATOM 897 CD PRO A 58 24.876 -9.771 11.012 1.00 25.00 C ATOM 0 HA PRO A 58 26.361 -9.000 8.205 1.00 25.00 H new ATOM 0 HB2 PRO A 58 27.023 -11.475 9.163 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.495 -10.045 10.058 1.00 25.00 H new ATOM 0 HG2 PRO A 58 25.103 -11.841 10.504 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.266 -11.261 11.680 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.887 -10.033 11.389 1.00 25.00 H new ATOM 0 HD3 PRO A 58 25.330 -9.102 11.743 1.00 25.00 H new ATOM 905 N GLY A 59 25.247 -10.146 6.418 1.00 25.00 N ATOM 906 CA GLY A 59 24.556 -10.769 5.300 1.00 25.00 C ATOM 907 C GLY A 59 24.904 -12.223 5.080 1.00 25.00 C ATOM 908 O GLY A 59 24.107 -12.985 4.551 1.00 25.00 O ATOM 0 H GLY A 59 25.861 -9.375 6.156 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.481 -10.686 5.462 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.785 -10.212 4.392 1.00 25.00 H new ATOM 912 N ASN A 60 26.078 -12.639 5.533 1.00 25.00 N ATOM 913 CA ASN A 60 26.502 -14.034 5.392 1.00 25.00 C ATOM 914 C ASN A 60 25.818 -14.966 6.400 1.00 25.00 C ATOM 915 O ASN A 60 25.983 -16.186 6.325 1.00 25.00 O ATOM 916 CB ASN A 60 28.031 -14.155 5.471 1.00 25.00 C ATOM 917 CG ASN A 60 28.590 -13.817 6.836 1.00 25.00 C ATOM 918 OD1 ASN A 60 27.904 -13.309 7.706 1.00 25.00 O ATOM 919 ND2 ASN A 60 29.852 -14.067 7.007 1.00 25.00 N ATOM 0 H ASN A 60 26.755 -12.037 6.001 1.00 25.00 H new ATOM 0 HA ASN A 60 26.182 -14.361 4.403 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.322 -15.172 5.209 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.479 -13.494 4.729 1.00 25.00 H new ATOM 0 HD21 ASN A 60 30.302 -13.837 7.893 1.00 25.00 H new ATOM 0 HD22 ASN A 60 30.394 -14.493 6.255 1.00 25.00 H new ATOM 926 N ARG A 61 25.002 -14.414 7.296 1.00 25.00 N ATOM 927 CA ARG A 61 24.180 -15.221 8.202 1.00 25.00 C ATOM 928 C ARG A 61 22.710 -15.084 7.831 1.00 25.00 C ATOM 929 O ARG A 61 21.831 -15.601 8.529 1.00 25.00 O ATOM 930 CB ARG A 61 24.383 -14.790 9.657 1.00 25.00 C ATOM 931 CG ARG A 61 25.804 -14.964 10.167 1.00 25.00 C ATOM 932 CD ARG A 61 25.841 -14.749 11.667 1.00 25.00 C ATOM 933 NE ARG A 61 27.196 -14.924 12.217 1.00 25.00 N ATOM 934 CZ ARG A 61 27.506 -14.948 13.508 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.608 -14.835 14.455 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.752 -15.105 13.854 1.00 25.00 N ATOM 0 H ARG A 61 24.891 -13.407 7.416 1.00 25.00 H new ATOM 0 HA ARG A 61 24.487 -16.262 8.102 1.00 25.00 H new ATOM 0 HB2 ARG A 61 24.099 -13.742 9.757 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.708 -15.365 10.292 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.167 -15.963 9.924 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.467 -14.254 9.672 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.483 -13.746 11.898 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.160 -15.450 12.150 1.00 25.00 H new ATOM 0 HE ARG A 61 27.960 -15.036 11.551 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.623 -14.723 14.213 1.00 25.00 H new ATOM 0 HH12 ARG A 61 26.893 -14.859 15.434 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.471 -15.207 13.138 1.00 25.00 H new ATOM 0 HH22 ARG A 61 29.008 -15.126 14.841 1.00 25.00 H new ATOM 950 N LEU A 62 22.439 -14.402 6.726 1.00 25.00 N ATOM 951 CA LEU A 62 21.073 -14.193 6.256 1.00 25.00 C ATOM 952 C LEU A 62 20.839 -14.786 4.886 1.00 25.00 C ATOM 953 O LEU A 62 21.735 -14.874 4.058 1.00 25.00 O ATOM 954 CB LEU A 62 20.763 -12.703 6.155 1.00 25.00 C ATOM 955 CG LEU A 62 20.000 -12.090 7.329 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.752 -10.625 7.013 1.00 25.00 C ATOM 957 CD2 LEU A 62 18.670 -12.787 7.609 1.00 25.00 C ATOM 0 H LEU A 62 23.153 -13.980 6.133 1.00 25.00 H new ATOM 0 HA LEU A 62 20.428 -14.686 6.983 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.704 -12.165 6.040 1.00 25.00 H new ATOM 0 HB3 LEU A 62 20.186 -12.534 5.246 1.00 25.00 H new ATOM 0 HG LEU A 62 20.606 -12.211 8.227 1.00 25.00 H new ATOM 0 HD11 LEU A 62 19.208 -10.162 7.836 1.00 25.00 H new ATOM 0 HD12 LEU A 62 20.706 -10.116 6.877 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.164 -10.544 6.099 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.177 -12.305 8.453 1.00 25.00 H new ATOM 0 HD22 LEU A 62 18.031 -12.719 6.729 1.00 25.00 H new ATOM 0 HD23 LEU A 62 18.851 -13.836 7.845 1.00 25.00 H new ATOM 969 N LYS A 63 19.590 -15.134 4.635 1.00 25.00 N ATOM 970 CA LYS A 63 19.175 -15.588 3.314 1.00 25.00 C ATOM 971 C LYS A 63 18.015 -14.771 2.851 1.00 25.00 C ATOM 972 O LYS A 63 16.957 -14.807 3.460 1.00 25.00 O ATOM 973 CB LYS A 63 18.769 -17.059 3.343 1.00 25.00 C ATOM 974 CG LYS A 63 18.254 -17.564 1.990 1.00 25.00 C ATOM 975 CD LYS A 63 18.195 -19.078 1.925 1.00 25.00 C ATOM 976 CE LYS A 63 19.599 -19.651 1.821 1.00 25.00 C ATOM 977 NZ LYS A 63 19.611 -21.133 1.612 1.00 25.00 N ATOM 0 H LYS A 63 18.842 -15.112 5.328 1.00 25.00 H new ATOM 0 HA LYS A 63 20.017 -15.472 2.631 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.625 -17.661 3.647 1.00 25.00 H new ATOM 0 HB3 LYS A 63 17.995 -17.202 4.097 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.260 -17.156 1.807 1.00 25.00 H new ATOM 0 HG3 LYS A 63 18.902 -17.193 1.196 1.00 25.00 H new ATOM 0 HD2 LYS A 63 17.699 -19.469 2.813 1.00 25.00 H new ATOM 0 HD3 LYS A 63 17.602 -19.390 1.065 1.00 25.00 H new ATOM 0 HE2 LYS A 63 20.122 -19.169 0.995 1.00 25.00 H new ATOM 0 HE3 LYS A 63 20.151 -19.413 2.730 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 20.594 -21.467 1.549 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 19.138 -21.600 2.411 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 19.110 -21.363 0.730 1.00 25.00 H new ATOM 991 N ILE A 64 18.194 -14.092 1.737 1.00 25.00 N ATOM 992 CA ILE A 64 17.120 -13.332 1.132 1.00 25.00 C ATOM 993 C ILE A 64 16.114 -14.336 0.604 1.00 25.00 C ATOM 994 O ILE A 64 16.474 -15.257 -0.130 1.00 25.00 O ATOM 995 CB ILE A 64 17.631 -12.475 -0.052 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.752 -11.520 0.395 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.498 -11.680 -0.673 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.345 -10.441 1.417 1.00 25.00 C ATOM 0 H ILE A 64 19.078 -14.051 1.230 1.00 25.00 H new ATOM 0 HA ILE A 64 16.686 -12.658 1.871 1.00 25.00 H new ATOM 0 HB ILE A 64 18.034 -13.159 -0.799 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.560 -12.113 0.823 1.00 25.00 H new ATOM 0 HG13 ILE A 64 19.155 -11.024 -0.488 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.882 -11.086 -1.502 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.732 -12.364 -1.040 1.00 25.00 H new ATOM 0 HG23 ILE A 64 16.064 -11.018 0.077 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.211 -9.826 1.661 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.562 -9.813 0.991 1.00 25.00 H new ATOM 0 HD13 ILE A 64 17.974 -10.920 2.323 1.00 25.00 H new ATOM 1010 N LEU A 65 14.861 -14.176 0.986 1.00 25.00 N ATOM 1011 CA LEU A 65 13.808 -15.065 0.527 1.00 25.00 C ATOM 1012 C LEU A 65 13.171 -14.426 -0.695 1.00 25.00 C ATOM 1013 O LEU A 65 12.206 -13.673 -0.599 1.00 25.00 O ATOM 1014 CB LEU A 65 12.788 -15.316 1.640 1.00 25.00 C ATOM 1015 CG LEU A 65 13.378 -15.860 2.955 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.249 -16.037 3.966 1.00 25.00 C ATOM 1017 CD2 LEU A 65 14.145 -17.196 2.758 1.00 25.00 C ATOM 0 H LEU A 65 14.546 -13.437 1.615 1.00 25.00 H new ATOM 0 HA LEU A 65 14.213 -16.041 0.259 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.267 -14.382 1.852 1.00 25.00 H new ATOM 0 HB3 LEU A 65 12.041 -16.021 1.275 1.00 25.00 H new ATOM 0 HG LEU A 65 14.107 -15.138 3.323 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.655 -16.422 4.901 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.769 -15.075 4.147 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.515 -16.740 3.572 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.540 -17.534 3.716 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.466 -17.950 2.359 1.00 25.00 H new ATOM 0 HD23 LEU A 65 14.968 -17.043 2.060 1.00 25.00 H new ATOM 1327 N PRO A 89 29.379 -18.366 10.543 1.00 25.00 N ATOM 1328 CA PRO A 89 30.547 -17.657 10.000 1.00 25.00 C ATOM 1329 C PRO A 89 30.762 -16.298 10.671 1.00 25.00 C ATOM 1330 O PRO A 89 29.837 -15.739 11.277 1.00 25.00 O ATOM 1331 CB PRO A 89 30.194 -17.499 8.522 1.00 25.00 C ATOM 1332 CG PRO A 89 28.711 -17.430 8.507 1.00 25.00 C ATOM 1333 CD PRO A 89 28.276 -18.410 9.566 1.00 25.00 C ATOM 0 HA PRO A 89 31.481 -18.194 10.169 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.639 -16.598 8.100 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.560 -18.340 7.933 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.358 -16.423 8.730 1.00 25.00 H new ATOM 0 HG3 PRO A 89 28.311 -17.699 7.529 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.327 -18.120 10.017 1.00 25.00 H new ATOM 0 HD3 PRO A 89 28.141 -19.411 9.157 1.00 25.00 H new ATOM 1341 N PRO A 90 31.983 -15.747 10.588 1.00 25.00 N ATOM 1342 CA PRO A 90 32.212 -14.473 11.280 1.00 25.00 C ATOM 1343 C PRO A 90 31.510 -13.304 10.598 1.00 25.00 C ATOM 1344 O PRO A 90 31.244 -13.341 9.396 1.00 25.00 O ATOM 1345 CB PRO A 90 33.736 -14.323 11.222 1.00 25.00 C ATOM 1346 CG PRO A 90 34.126 -15.025 9.975 1.00 25.00 C ATOM 1347 CD PRO A 90 33.199 -16.218 9.895 1.00 25.00 C ATOM 0 HA PRO A 90 31.811 -14.469 12.294 1.00 25.00 H new ATOM 0 HB2 PRO A 90 34.032 -13.274 11.197 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.213 -14.768 12.095 1.00 25.00 H new ATOM 0 HG2 PRO A 90 34.013 -14.378 9.105 1.00 25.00 H new ATOM 0 HG3 PRO A 90 35.170 -15.337 10.007 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.991 -16.498 8.862 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.627 -17.094 10.383 1.00 25.00 H new ATOM 1355 N LYS A 91 31.197 -12.272 11.368 1.00 25.00 N ATOM 1356 CA LYS A 91 30.567 -11.069 10.825 1.00 25.00 C ATOM 1357 C LYS A 91 31.651 -10.236 10.128 1.00 25.00 C ATOM 1358 O LYS A 91 32.824 -10.322 10.495 1.00 25.00 O ATOM 1359 CB LYS A 91 29.894 -10.252 11.948 1.00 25.00 C ATOM 1360 CG LYS A 91 30.829 -9.856 13.109 1.00 25.00 C ATOM 1361 CD LYS A 91 30.158 -8.915 14.132 1.00 25.00 C ATOM 1362 CE LYS A 91 28.981 -9.567 14.866 1.00 25.00 C ATOM 1363 NZ LYS A 91 28.435 -8.660 15.927 1.00 25.00 N ATOM 0 H LYS A 91 31.368 -12.240 12.373 1.00 25.00 H new ATOM 0 HA LYS A 91 29.791 -11.345 10.111 1.00 25.00 H new ATOM 0 HB2 LYS A 91 29.471 -9.345 11.515 1.00 25.00 H new ATOM 0 HB3 LYS A 91 29.063 -10.831 12.351 1.00 25.00 H new ATOM 0 HG2 LYS A 91 31.166 -10.758 13.620 1.00 25.00 H new ATOM 0 HG3 LYS A 91 31.716 -9.369 12.704 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.900 -8.593 14.862 1.00 25.00 H new ATOM 0 HD3 LYS A 91 29.807 -8.020 13.618 1.00 25.00 H new ATOM 0 HE2 LYS A 91 28.194 -9.811 14.152 1.00 25.00 H new ATOM 0 HE3 LYS A 91 29.305 -10.505 15.317 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 27.422 -8.854 16.062 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.941 -8.826 16.820 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 28.562 -7.670 15.636 1.00 25.00 H new ATOM 1377 N PRO A 92 31.270 -9.431 9.118 1.00 25.00 N ATOM 1378 CA PRO A 92 32.276 -8.548 8.521 1.00 25.00 C ATOM 1379 C PRO A 92 32.682 -7.446 9.512 1.00 25.00 C ATOM 1380 O PRO A 92 31.989 -7.221 10.508 1.00 25.00 O ATOM 1381 CB PRO A 92 31.556 -7.993 7.285 1.00 25.00 C ATOM 1382 CG PRO A 92 30.129 -8.055 7.615 1.00 25.00 C ATOM 1383 CD PRO A 92 29.944 -9.244 8.503 1.00 25.00 C ATOM 0 HA PRO A 92 33.210 -9.047 8.263 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.868 -6.970 7.073 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.782 -8.585 6.398 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.808 -7.143 8.118 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.527 -8.149 6.711 1.00 25.00 H new ATOM 0 HD2 PRO A 92 29.175 -9.066 9.255 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.638 -10.123 7.936 1.00 25.00 H new