USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 590 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -1.19 (180deg=-1.58) USER MOD Single : A 2 SER OG : rot -27:sc= 0.165 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -117:sc= 1.17 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -8.25! C(o=-17!,f=-8.3!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.611 K(o=-0.61,f=-1.1) USER MOD Single : A 30 HIS : no HD1:sc= -5.46! C(o=-5.5!,f=-11!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -1.83! C(o=-4.7!,f=-1.8!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.116 USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.152 (180deg=-0.681) USER MOD Single : A 40 MET CE :methyl -165:sc= -0.0434 (180deg=-0.378) USER MOD Single : A 42 LYS NZ :NH3+ 162:sc=-0.00762 (180deg=-0.469) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.69 F(o=-3.1!,f=-0.69) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.000917 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.00686 USER MOD Single : A 64 LYS NZ :NH3+ 145:sc= 0.983 (180deg=0.298) USER MOD Single : A 68 THR OG1 : rot -73:sc= 1.16 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.614 7.371 3.927 1.00 0.00 N ATOM 2 CA MET A 1 4.383 7.685 2.497 1.00 0.00 C ATOM 3 C MET A 1 2.892 7.833 2.228 1.00 0.00 C ATOM 4 O MET A 1 2.492 8.356 1.207 1.00 0.00 O ATOM 5 CB MET A 1 4.927 6.548 1.617 1.00 0.00 C ATOM 6 CG MET A 1 4.474 5.205 2.196 1.00 0.00 C ATOM 7 SD MET A 1 4.988 3.708 1.317 1.00 0.00 S ATOM 8 CE MET A 1 4.525 2.520 2.602 1.00 0.00 C ATOM 0 H1 MET A 1 5.623 7.172 4.080 1.00 0.00 H new ATOM 0 H2 MET A 1 4.329 8.183 4.511 1.00 0.00 H new ATOM 0 H3 MET A 1 4.052 6.538 4.195 1.00 0.00 H new ATOM 0 HA MET A 1 4.896 8.618 2.262 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.565 6.658 0.595 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.015 6.592 1.576 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.841 5.138 3.220 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.385 5.209 2.247 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.759 1.510 2.265 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.080 2.736 3.515 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.456 2.597 2.801 1.00 0.00 H new ATOM 17 N SER A 2 2.095 7.370 3.151 1.00 0.00 N ATOM 18 CA SER A 2 0.628 7.477 2.964 1.00 0.00 C ATOM 19 C SER A 2 0.215 8.922 2.713 1.00 0.00 C ATOM 20 O SER A 2 -0.893 9.191 2.297 1.00 0.00 O ATOM 21 CB SER A 2 -0.061 6.983 4.246 1.00 0.00 C ATOM 22 OG SER A 2 -1.426 6.853 3.879 1.00 0.00 O ATOM 0 H SER A 2 2.396 6.926 4.019 1.00 0.00 H new ATOM 0 HA SER A 2 0.336 6.876 2.103 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.354 6.032 4.580 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.066 7.691 5.065 1.00 0.00 H new ATOM 0 HG SER A 2 -1.630 7.478 3.152 1.00 0.00 H new ATOM 28 N LYS A 3 1.119 9.830 2.968 1.00 0.00 N ATOM 29 CA LYS A 3 0.795 11.261 2.749 1.00 0.00 C ATOM 30 C LYS A 3 0.817 11.601 1.265 1.00 0.00 C ATOM 31 O LYS A 3 1.721 11.217 0.550 1.00 0.00 O ATOM 32 CB LYS A 3 1.852 12.114 3.466 1.00 0.00 C ATOM 33 CG LYS A 3 3.240 11.740 2.942 1.00 0.00 C ATOM 34 CD LYS A 3 4.300 12.271 3.908 1.00 0.00 C ATOM 35 CE LYS A 3 4.162 13.791 4.015 1.00 0.00 C ATOM 36 NZ LYS A 3 5.420 14.393 4.539 1.00 0.00 N ATOM 0 H LYS A 3 2.059 9.641 3.316 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.203 11.462 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.659 13.173 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.800 11.950 4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.327 10.658 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.393 12.161 1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.178 11.812 4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.297 12.008 3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.931 14.211 3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.330 14.041 4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.310 15.425 4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.624 14.005 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.206 14.170 3.896 1.00 0.00 H new ATOM 50 N GLU A 4 -0.180 12.318 0.827 1.00 0.00 N ATOM 51 CA GLU A 4 -0.235 12.693 -0.607 1.00 0.00 C ATOM 52 C GLU A 4 -0.963 14.018 -0.792 1.00 0.00 C ATOM 53 O GLU A 4 -2.177 14.073 -0.757 1.00 0.00 O ATOM 54 CB GLU A 4 -0.999 11.597 -1.365 1.00 0.00 C ATOM 55 CG GLU A 4 -1.073 11.971 -2.846 1.00 0.00 C ATOM 56 CD GLU A 4 0.338 11.974 -3.438 1.00 0.00 C ATOM 57 OE1 GLU A 4 0.985 10.949 -3.296 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.688 12.999 -3.998 1.00 0.00 O ATOM 0 H GLU A 4 -0.954 12.657 1.399 1.00 0.00 H new ATOM 0 HA GLU A 4 0.781 12.797 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.497 10.637 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.003 11.486 -0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.703 11.260 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.531 12.953 -2.962 1.00 0.00 H new ATOM 65 N ASP A 5 -0.209 15.066 -0.986 1.00 0.00 N ATOM 66 CA ASP A 5 -0.842 16.394 -1.175 1.00 0.00 C ATOM 67 C ASP A 5 0.125 17.366 -1.842 1.00 0.00 C ATOM 68 O ASP A 5 -0.242 18.089 -2.749 1.00 0.00 O ATOM 69 CB ASP A 5 -1.226 16.949 0.206 1.00 0.00 C ATOM 70 CG ASP A 5 -1.665 18.407 0.063 1.00 0.00 C ATOM 71 OD1 ASP A 5 -0.782 19.246 0.125 1.00 0.00 O ATOM 72 OD2 ASP A 5 -2.858 18.600 -0.102 1.00 0.00 O ATOM 0 H ASP A 5 0.810 15.057 -1.021 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.720 16.282 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.032 16.356 0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.378 16.878 0.887 1.00 0.00 H new ATOM 77 N SER A 6 1.347 17.368 -1.381 1.00 0.00 N ATOM 78 CA SER A 6 2.349 18.287 -1.976 1.00 0.00 C ATOM 79 C SER A 6 3.759 17.907 -1.537 1.00 0.00 C ATOM 80 O SER A 6 3.945 16.961 -0.797 1.00 0.00 O ATOM 81 CB SER A 6 2.046 19.713 -1.490 1.00 0.00 C ATOM 82 OG SER A 6 1.671 19.544 -0.130 1.00 0.00 O ATOM 0 H SER A 6 1.689 16.776 -0.624 1.00 0.00 H new ATOM 0 HA SER A 6 2.292 18.223 -3.063 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.918 20.360 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.245 20.170 -2.071 1.00 0.00 H new ATOM 0 HG SER A 6 0.740 19.824 -0.010 1.00 0.00 H new ATOM 88 N PHE A 7 4.728 18.657 -2.008 1.00 0.00 N ATOM 89 CA PHE A 7 6.142 18.362 -1.634 1.00 0.00 C ATOM 90 C PHE A 7 6.882 19.641 -1.271 1.00 0.00 C ATOM 91 O PHE A 7 6.855 20.606 -2.009 1.00 0.00 O ATOM 92 CB PHE A 7 6.840 17.721 -2.843 1.00 0.00 C ATOM 93 CG PHE A 7 6.098 16.447 -3.244 1.00 0.00 C ATOM 94 CD1 PHE A 7 5.044 16.503 -4.142 1.00 0.00 C ATOM 95 CD2 PHE A 7 6.472 15.221 -2.723 1.00 0.00 C ATOM 96 CE1 PHE A 7 4.378 15.351 -4.508 1.00 0.00 C ATOM 97 CE2 PHE A 7 5.805 14.072 -3.092 1.00 0.00 C ATOM 98 CZ PHE A 7 4.759 14.137 -3.983 1.00 0.00 C ATOM 0 H PHE A 7 4.599 19.454 -2.631 1.00 0.00 H new ATOM 0 HA PHE A 7 6.149 17.693 -0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.860 18.421 -3.678 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.876 17.489 -2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 7 4.742 17.453 -4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.292 15.164 -2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.557 15.402 -5.207 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.104 13.119 -2.681 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.237 13.236 -4.270 1.00 0.00 H new ATOM 108 N GLU A 8 7.535 19.627 -0.139 1.00 0.00 N ATOM 109 CA GLU A 8 8.285 20.836 0.291 1.00 0.00 C ATOM 110 C GLU A 8 9.749 20.743 -0.120 1.00 0.00 C ATOM 111 O GLU A 8 10.357 19.695 -0.032 1.00 0.00 O ATOM 112 CB GLU A 8 8.206 20.942 1.822 1.00 0.00 C ATOM 113 CG GLU A 8 8.453 19.563 2.438 1.00 0.00 C ATOM 114 CD GLU A 8 8.415 19.678 3.964 1.00 0.00 C ATOM 115 OE1 GLU A 8 7.774 20.611 4.420 1.00 0.00 O ATOM 116 OE2 GLU A 8 9.028 18.827 4.586 1.00 0.00 O ATOM 0 H GLU A 8 7.580 18.834 0.501 1.00 0.00 H new ATOM 0 HA GLU A 8 7.844 21.712 -0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.946 21.654 2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.228 21.317 2.122 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.696 18.858 2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.419 19.175 2.115 1.00 0.00 H new ATOM 123 N MET A 9 10.291 21.846 -0.561 1.00 0.00 N ATOM 124 CA MET A 9 11.714 21.844 -0.980 1.00 0.00 C ATOM 125 C MET A 9 12.273 23.264 -0.991 1.00 0.00 C ATOM 126 O MET A 9 11.710 24.152 -1.598 1.00 0.00 O ATOM 127 CB MET A 9 11.801 21.263 -2.402 1.00 0.00 C ATOM 128 CG MET A 9 13.247 20.847 -2.687 1.00 0.00 C ATOM 129 SD MET A 9 13.654 20.363 -4.383 1.00 0.00 S ATOM 130 CE MET A 9 13.402 18.583 -4.177 1.00 0.00 C ATOM 0 H MET A 9 9.810 22.741 -0.647 1.00 0.00 H new ATOM 0 HA MET A 9 12.294 21.245 -0.278 1.00 0.00 H new ATOM 0 HB2 MET A 9 11.137 20.404 -2.498 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.472 22.003 -3.131 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.897 21.676 -2.408 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.494 20.013 -2.030 1.00 0.00 H new ATOM 0 HE1 MET A 9 13.602 18.076 -5.121 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.080 18.206 -3.411 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.372 18.394 -3.875 1.00 0.00 H new ATOM 140 N GLU A 10 13.374 23.450 -0.314 1.00 0.00 N ATOM 141 CA GLU A 10 13.986 24.799 -0.268 1.00 0.00 C ATOM 142 C GLU A 10 14.532 25.208 -1.631 1.00 0.00 C ATOM 143 O GLU A 10 15.006 24.384 -2.385 1.00 0.00 O ATOM 144 CB GLU A 10 15.148 24.763 0.738 1.00 0.00 C ATOM 145 CG GLU A 10 15.031 25.957 1.683 1.00 0.00 C ATOM 146 CD GLU A 10 16.331 26.101 2.476 1.00 0.00 C ATOM 147 OE1 GLU A 10 17.254 26.663 1.908 1.00 0.00 O ATOM 148 OE2 GLU A 10 16.329 25.642 3.606 1.00 0.00 O ATOM 0 H GLU A 10 13.871 22.726 0.206 1.00 0.00 H new ATOM 0 HA GLU A 10 13.225 25.521 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.126 23.832 1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.102 24.793 0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.834 26.867 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.190 25.817 2.362 1.00 0.00 H new ATOM 155 N GLY A 11 14.457 26.482 -1.919 1.00 0.00 N ATOM 156 CA GLY A 11 14.970 26.970 -3.230 1.00 0.00 C ATOM 157 C GLY A 11 15.253 28.467 -3.133 1.00 0.00 C ATOM 158 O GLY A 11 14.735 29.135 -2.258 1.00 0.00 O ATOM 0 H GLY A 11 14.066 27.199 -1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.879 26.433 -3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.239 26.776 -4.015 1.00 0.00 H new ATOM 162 N THR A 12 16.066 28.969 -4.026 1.00 0.00 N ATOM 163 CA THR A 12 16.384 30.422 -3.984 1.00 0.00 C ATOM 164 C THR A 12 15.511 31.160 -4.982 1.00 0.00 C ATOM 165 O THR A 12 15.189 30.624 -6.010 1.00 0.00 O ATOM 166 CB THR A 12 17.856 30.610 -4.367 1.00 0.00 C ATOM 167 OG1 THR A 12 18.582 29.789 -3.474 1.00 0.00 O ATOM 168 CG2 THR A 12 18.327 32.033 -4.048 1.00 0.00 C ATOM 0 H THR A 12 16.517 28.441 -4.773 1.00 0.00 H new ATOM 0 HA THR A 12 16.201 30.815 -2.984 1.00 0.00 H new ATOM 0 HB THR A 12 17.992 30.391 -5.426 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.540 29.862 -3.668 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.375 32.141 -4.329 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.726 32.749 -4.608 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.216 32.222 -2.980 1.00 0.00 H new ATOM 176 N VAL A 13 15.177 32.395 -4.682 1.00 0.00 N ATOM 177 CA VAL A 13 14.291 33.176 -5.656 1.00 0.00 C ATOM 178 C VAL A 13 15.001 34.230 -6.468 1.00 0.00 C ATOM 179 O VAL A 13 15.290 35.277 -5.960 1.00 0.00 O ATOM 180 CB VAL A 13 13.249 33.942 -4.849 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.279 34.629 -5.815 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.473 32.952 -3.969 1.00 0.00 C ATOM 0 H VAL A 13 15.459 32.896 -3.840 1.00 0.00 H new ATOM 0 HA VAL A 13 13.893 32.424 -6.338 1.00 0.00 H new ATOM 0 HB VAL A 13 13.736 34.689 -4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.529 35.180 -5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.830 35.319 -6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.787 33.877 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.725 33.491 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.979 32.214 -4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.163 32.447 -3.293 1.00 0.00 H new ATOM 192 N VAL A 14 15.221 33.976 -7.747 1.00 0.00 N ATOM 193 CA VAL A 14 15.899 34.993 -8.536 1.00 0.00 C ATOM 194 C VAL A 14 15.411 34.954 -9.987 1.00 0.00 C ATOM 195 O VAL A 14 15.994 34.347 -10.864 1.00 0.00 O ATOM 196 CB VAL A 14 17.404 34.686 -8.490 1.00 0.00 C ATOM 197 CG1 VAL A 14 18.157 35.907 -7.949 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.658 33.485 -7.570 1.00 0.00 C ATOM 0 H VAL A 14 14.958 33.124 -8.241 1.00 0.00 H new ATOM 0 HA VAL A 14 15.690 35.984 -8.134 1.00 0.00 H new ATOM 0 HB VAL A 14 17.756 34.454 -9.495 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.225 35.691 -7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.980 36.762 -8.601 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.802 36.138 -6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.726 33.270 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.305 33.716 -6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 14 17.123 32.615 -7.951 1.00 0.00 H new ATOM 208 N ASP A 15 14.328 35.609 -10.163 1.00 0.00 N ATOM 209 CA ASP A 15 13.675 35.722 -11.479 1.00 0.00 C ATOM 210 C ASP A 15 12.317 36.375 -11.245 1.00 0.00 C ATOM 211 O ASP A 15 11.595 35.944 -10.368 1.00 0.00 O ATOM 212 CB ASP A 15 13.525 34.330 -12.107 1.00 0.00 C ATOM 213 CG ASP A 15 12.426 34.361 -13.177 1.00 0.00 C ATOM 214 OD1 ASP A 15 11.328 34.733 -12.819 1.00 0.00 O ATOM 215 OD2 ASP A 15 12.755 34.006 -14.297 1.00 0.00 O ATOM 0 H ASP A 15 13.838 36.098 -9.414 1.00 0.00 H new ATOM 0 HA ASP A 15 14.266 36.324 -12.170 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.470 34.017 -12.551 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.277 33.598 -11.338 1.00 0.00 H new ATOM 220 N THR A 16 11.976 37.379 -12.007 1.00 0.00 N ATOM 221 CA THR A 16 10.643 38.038 -11.785 1.00 0.00 C ATOM 222 C THR A 16 9.650 37.737 -12.899 1.00 0.00 C ATOM 223 O THR A 16 9.987 37.761 -14.067 1.00 0.00 O ATOM 224 CB THR A 16 10.869 39.551 -11.726 1.00 0.00 C ATOM 225 OG1 THR A 16 9.579 40.126 -11.776 1.00 0.00 O ATOM 226 CG2 THR A 16 11.565 40.049 -13.000 1.00 0.00 C ATOM 0 H THR A 16 12.544 37.769 -12.759 1.00 0.00 H new ATOM 0 HA THR A 16 10.222 37.650 -10.858 1.00 0.00 H new ATOM 0 HB THR A 16 11.460 39.801 -10.845 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.654 41.102 -11.740 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.715 41.127 -12.935 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.530 39.554 -13.104 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.945 39.821 -13.867 1.00 0.00 H new ATOM 234 N LEU A 17 8.428 37.452 -12.492 1.00 0.00 N ATOM 235 CA LEU A 17 7.358 37.140 -13.476 1.00 0.00 C ATOM 236 C LEU A 17 6.280 38.239 -13.425 1.00 0.00 C ATOM 237 O LEU A 17 6.095 38.864 -12.388 1.00 0.00 O ATOM 238 CB LEU A 17 6.713 35.821 -13.079 1.00 0.00 C ATOM 239 CG LEU A 17 7.427 34.679 -13.800 1.00 0.00 C ATOM 240 CD1 LEU A 17 7.001 34.646 -15.274 1.00 0.00 C ATOM 241 CD2 LEU A 17 8.937 34.874 -13.706 1.00 0.00 C ATOM 0 H LEU A 17 8.136 37.425 -11.515 1.00 0.00 H new ATOM 0 HA LEU A 17 7.782 37.081 -14.478 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.775 35.682 -12.000 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.655 35.827 -13.339 1.00 0.00 H new ATOM 0 HG LEU A 17 7.156 33.735 -13.328 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.514 33.830 -15.783 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.924 34.494 -15.338 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.263 35.591 -15.750 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.442 34.057 -14.222 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.211 35.821 -14.171 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.238 34.883 -12.658 1.00 0.00 H new ATOM 253 N PRO A 18 5.539 38.442 -14.520 1.00 0.00 N ATOM 254 CA PRO A 18 4.503 39.470 -14.524 1.00 0.00 C ATOM 255 C PRO A 18 3.131 38.867 -14.255 1.00 0.00 C ATOM 256 O PRO A 18 2.655 38.063 -15.017 1.00 0.00 O ATOM 257 CB PRO A 18 4.503 39.968 -15.975 1.00 0.00 C ATOM 258 CG PRO A 18 5.112 38.808 -16.831 1.00 0.00 C ATOM 259 CD PRO A 18 5.807 37.845 -15.839 1.00 0.00 C ATOM 0 HA PRO A 18 4.691 40.234 -13.769 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.492 40.207 -16.305 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.094 40.878 -16.075 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.334 38.291 -17.392 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.825 39.196 -17.558 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.401 36.836 -15.911 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.877 37.773 -16.035 1.00 0.00 H new ATOM 267 N ASN A 19 2.544 39.331 -13.163 1.00 0.00 N ATOM 268 CA ASN A 19 1.180 38.881 -12.688 1.00 0.00 C ATOM 269 C ASN A 19 1.284 38.571 -11.213 1.00 0.00 C ATOM 270 O ASN A 19 0.518 37.801 -10.679 1.00 0.00 O ATOM 271 CB ASN A 19 0.696 37.592 -13.403 1.00 0.00 C ATOM 272 CG ASN A 19 1.741 36.482 -13.246 1.00 0.00 C ATOM 273 OD1 ASN A 19 2.891 36.768 -12.705 1.00 0.00 O flip ATOM 274 ND2 ASN A 19 1.515 35.346 -13.610 1.00 0.00 N flip ATOM 0 H ASN A 19 2.973 40.031 -12.558 1.00 0.00 H new ATOM 0 HA ASN A 19 0.469 39.678 -12.905 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.256 37.269 -12.982 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.525 37.795 -14.460 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.616 35.116 -14.034 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.224 34.622 -13.491 1.00 0.00 H new ATOM 281 N THR A 20 2.262 39.186 -10.588 1.00 0.00 N ATOM 282 CA THR A 20 2.485 38.973 -9.136 1.00 0.00 C ATOM 283 C THR A 20 3.108 37.612 -8.894 1.00 0.00 C ATOM 284 O THR A 20 2.601 36.832 -8.110 1.00 0.00 O ATOM 285 CB THR A 20 1.141 39.039 -8.392 1.00 0.00 C ATOM 286 OG1 THR A 20 0.383 40.021 -9.067 1.00 0.00 O ATOM 287 CG2 THR A 20 1.339 39.599 -6.973 1.00 0.00 C ATOM 0 H THR A 20 2.916 39.830 -11.033 1.00 0.00 H new ATOM 0 HA THR A 20 3.156 39.750 -8.770 1.00 0.00 H new ATOM 0 HB THR A 20 0.687 38.049 -8.354 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.494 40.110 -8.638 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.378 39.639 -6.460 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.019 38.953 -6.419 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.760 40.603 -7.033 1.00 0.00 H new ATOM 295 N MET A 21 4.204 37.336 -9.573 1.00 0.00 N ATOM 296 CA MET A 21 4.852 36.014 -9.372 1.00 0.00 C ATOM 297 C MET A 21 6.365 36.107 -9.435 1.00 0.00 C ATOM 298 O MET A 21 6.925 37.095 -9.866 1.00 0.00 O ATOM 299 CB MET A 21 4.379 35.070 -10.486 1.00 0.00 C ATOM 300 CG MET A 21 2.861 34.902 -10.390 1.00 0.00 C ATOM 301 SD MET A 21 2.084 33.716 -11.514 1.00 0.00 S ATOM 302 CE MET A 21 0.692 33.274 -10.445 1.00 0.00 C ATOM 0 H MET A 21 4.661 37.959 -10.239 1.00 0.00 H new ATOM 0 HA MET A 21 4.575 35.646 -8.384 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.652 35.473 -11.461 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.871 34.102 -10.392 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.618 34.608 -9.369 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.403 35.876 -10.558 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.066 32.538 -10.949 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.069 32.853 -9.513 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.102 34.165 -10.229 1.00 0.00 H new ATOM 312 N PHE A 22 6.990 35.060 -8.995 1.00 0.00 N ATOM 313 CA PHE A 22 8.454 35.009 -8.997 1.00 0.00 C ATOM 314 C PHE A 22 8.873 33.576 -9.252 1.00 0.00 C ATOM 315 O PHE A 22 8.052 32.682 -9.158 1.00 0.00 O ATOM 316 CB PHE A 22 8.967 35.452 -7.615 1.00 0.00 C ATOM 317 CG PHE A 22 8.085 36.588 -7.085 1.00 0.00 C ATOM 318 CD1 PHE A 22 6.919 36.308 -6.388 1.00 0.00 C ATOM 319 CD2 PHE A 22 8.439 37.912 -7.296 1.00 0.00 C ATOM 320 CE1 PHE A 22 6.127 37.334 -5.912 1.00 0.00 C ATOM 321 CE2 PHE A 22 7.642 38.934 -6.817 1.00 0.00 C ATOM 322 CZ PHE A 22 6.489 38.645 -6.127 1.00 0.00 C ATOM 0 H PHE A 22 6.532 34.226 -8.629 1.00 0.00 H new ATOM 0 HA PHE A 22 8.864 35.665 -9.765 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.951 34.611 -6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.002 35.785 -7.689 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.629 35.282 -6.217 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.343 38.146 -7.838 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.221 37.108 -5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.926 39.962 -6.985 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.867 39.445 -5.754 1.00 0.00 H new ATOM 332 N ARG A 23 10.121 33.369 -9.567 1.00 0.00 N ATOM 333 CA ARG A 23 10.583 31.982 -9.828 1.00 0.00 C ATOM 334 C ARG A 23 11.686 31.590 -8.877 1.00 0.00 C ATOM 335 O ARG A 23 12.577 32.383 -8.588 1.00 0.00 O ATOM 336 CB ARG A 23 11.083 31.922 -11.272 1.00 0.00 C ATOM 337 CG ARG A 23 12.242 30.922 -11.401 1.00 0.00 C ATOM 338 CD ARG A 23 12.322 30.450 -12.858 1.00 0.00 C ATOM 339 NE ARG A 23 13.746 30.215 -13.225 1.00 0.00 N ATOM 340 CZ ARG A 23 14.103 30.302 -14.478 1.00 0.00 C ATOM 341 NH1 ARG A 23 13.225 30.020 -15.403 1.00 0.00 N ATOM 342 NH2 ARG A 23 15.322 30.669 -14.766 1.00 0.00 N ATOM 0 H ARG A 23 10.833 34.094 -9.654 1.00 0.00 H new ATOM 0 HA ARG A 23 9.760 31.283 -9.676 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.267 31.629 -11.933 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.412 32.911 -11.590 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.180 31.390 -11.103 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.084 30.073 -10.736 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.746 29.534 -12.987 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.883 31.198 -13.519 1.00 0.00 H new ATOM 0 HE ARG A 23 14.434 29.989 -12.507 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.281 29.738 -15.141 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.484 30.082 -16.388 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.981 30.883 -14.017 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.616 30.742 -15.740 1.00 0.00 H new ATOM 356 N VAL A 24 11.622 30.356 -8.415 1.00 0.00 N ATOM 357 CA VAL A 24 12.645 29.881 -7.484 1.00 0.00 C ATOM 358 C VAL A 24 13.410 28.764 -8.117 1.00 0.00 C ATOM 359 O VAL A 24 12.837 27.915 -8.777 1.00 0.00 O ATOM 360 CB VAL A 24 11.959 29.408 -6.194 1.00 0.00 C ATOM 361 CG1 VAL A 24 11.227 28.106 -6.455 1.00 0.00 C ATOM 362 CG2 VAL A 24 13.015 29.190 -5.107 1.00 0.00 C ATOM 0 H VAL A 24 10.899 29.677 -8.655 1.00 0.00 H new ATOM 0 HA VAL A 24 13.342 30.684 -7.242 1.00 0.00 H new ATOM 0 HB VAL A 24 11.246 30.164 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.741 27.772 -5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.475 28.260 -7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.938 27.349 -6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.530 28.854 -4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.727 28.435 -5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.541 30.126 -4.917 1.00 0.00 H new ATOM 372 N GLU A 25 14.689 28.767 -7.907 1.00 0.00 N ATOM 373 CA GLU A 25 15.509 27.709 -8.501 1.00 0.00 C ATOM 374 C GLU A 25 15.789 26.564 -7.561 1.00 0.00 C ATOM 375 O GLU A 25 16.296 26.720 -6.463 1.00 0.00 O ATOM 376 CB GLU A 25 16.846 28.323 -8.925 1.00 0.00 C ATOM 377 CG GLU A 25 16.588 29.371 -10.011 1.00 0.00 C ATOM 378 CD GLU A 25 17.909 29.730 -10.696 1.00 0.00 C ATOM 379 OE1 GLU A 25 18.921 29.591 -10.030 1.00 0.00 O ATOM 380 OE2 GLU A 25 17.830 30.123 -11.849 1.00 0.00 O ATOM 0 H GLU A 25 15.193 29.457 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 25 14.950 27.301 -9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.339 28.782 -8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.515 27.548 -9.300 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.879 28.985 -10.743 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.139 30.262 -9.572 1.00 0.00 H new ATOM 387 N LEU A 26 15.425 25.448 -8.048 1.00 0.00 N ATOM 388 CA LEU A 26 15.582 24.197 -7.367 1.00 0.00 C ATOM 389 C LEU A 26 16.591 23.501 -8.230 1.00 0.00 C ATOM 390 O LEU A 26 16.514 22.314 -8.481 1.00 0.00 O ATOM 391 CB LEU A 26 14.241 23.442 -7.336 1.00 0.00 C ATOM 392 CG LEU A 26 13.321 24.129 -6.337 1.00 0.00 C ATOM 393 CD1 LEU A 26 11.923 23.519 -6.443 1.00 0.00 C ATOM 394 CD2 LEU A 26 13.860 23.916 -4.922 1.00 0.00 C ATOM 0 H LEU A 26 14.991 25.359 -8.967 1.00 0.00 H new ATOM 0 HA LEU A 26 15.893 24.280 -6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.787 23.436 -8.327 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.399 22.402 -7.052 1.00 0.00 H new ATOM 0 HG LEU A 26 13.275 25.197 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.258 24.007 -5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.539 23.662 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.973 22.453 -6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.203 24.407 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.901 22.849 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.861 24.340 -4.846 1.00 0.00 H new ATOM 406 N GLU A 27 17.490 24.363 -8.754 1.00 0.00 N ATOM 407 CA GLU A 27 18.594 23.927 -9.662 1.00 0.00 C ATOM 408 C GLU A 27 19.160 22.607 -9.286 1.00 0.00 C ATOM 409 O GLU A 27 20.003 22.076 -9.987 1.00 0.00 O ATOM 410 CB GLU A 27 19.707 24.972 -9.589 1.00 0.00 C ATOM 411 CG GLU A 27 20.081 25.199 -8.124 1.00 0.00 C ATOM 412 CD GLU A 27 20.807 23.963 -7.595 1.00 0.00 C ATOM 413 OE1 GLU A 27 21.471 23.337 -8.405 1.00 0.00 O ATOM 414 OE2 GLU A 27 20.660 23.716 -6.411 1.00 0.00 O ATOM 0 H GLU A 27 17.480 25.366 -8.569 1.00 0.00 H new ATOM 0 HA GLU A 27 18.184 23.831 -10.667 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.577 24.635 -10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.376 25.906 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.719 26.078 -8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 27 19.186 25.391 -7.533 1.00 0.00 H new ATOM 421 N ASN A 28 18.732 22.083 -8.202 1.00 0.00 N ATOM 422 CA ASN A 28 19.247 20.787 -7.821 1.00 0.00 C ATOM 423 C ASN A 28 18.617 19.815 -8.835 1.00 0.00 C ATOM 424 O ASN A 28 18.441 18.642 -8.580 1.00 0.00 O ATOM 425 CB ASN A 28 18.772 20.439 -6.396 1.00 0.00 C ATOM 426 CG ASN A 28 19.377 19.095 -5.976 1.00 0.00 C ATOM 427 OD1 ASN A 28 18.728 18.071 -6.017 1.00 0.00 O ATOM 428 ND2 ASN A 28 20.618 19.058 -5.566 1.00 0.00 N ATOM 0 H ASN A 28 18.050 22.498 -7.568 1.00 0.00 H new ATOM 0 HA ASN A 28 20.336 20.747 -7.823 1.00 0.00 H new ATOM 0 HB2 ASN A 28 19.073 21.221 -5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.684 20.387 -6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 28 21.035 18.171 -5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 28 21.169 19.916 -5.529 1.00 0.00 H new ATOM 435 N GLY A 29 18.296 20.393 -10.004 1.00 0.00 N ATOM 436 CA GLY A 29 17.676 19.640 -11.112 1.00 0.00 C ATOM 437 C GLY A 29 16.250 20.184 -11.437 1.00 0.00 C ATOM 438 O GLY A 29 15.705 19.851 -12.472 1.00 0.00 O ATOM 0 H GLY A 29 18.455 21.380 -10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.305 19.710 -11.999 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.614 18.584 -10.847 1.00 0.00 H new ATOM 442 N HIS A 30 15.671 21.011 -10.547 1.00 0.00 N ATOM 443 CA HIS A 30 14.289 21.551 -10.833 1.00 0.00 C ATOM 444 C HIS A 30 14.197 23.108 -10.797 1.00 0.00 C ATOM 445 O HIS A 30 14.988 23.772 -10.182 1.00 0.00 O ATOM 446 CB HIS A 30 13.332 20.969 -9.775 1.00 0.00 C ATOM 447 CG HIS A 30 11.889 21.313 -10.150 1.00 0.00 C ATOM 448 ND1 HIS A 30 11.517 21.700 -11.277 1.00 0.00 N ATOM 449 CD2 HIS A 30 10.743 21.267 -9.380 1.00 0.00 C ATOM 450 CE1 HIS A 30 10.266 21.906 -11.309 1.00 0.00 C ATOM 451 NE2 HIS A 30 9.680 21.655 -10.137 1.00 0.00 N ATOM 0 H HIS A 30 16.091 21.317 -9.669 1.00 0.00 H new ATOM 0 HA HIS A 30 14.024 21.254 -11.848 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.455 19.888 -9.713 1.00 0.00 H new ATOM 0 HB3 HIS A 30 13.570 21.374 -8.791 1.00 0.00 H new ATOM 0 HD2 HIS A 30 10.698 20.970 -8.343 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.735 22.246 -12.186 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.697 21.733 -9.877 1.00 0.00 H new ATOM 459 N VAL A 31 13.265 23.631 -11.555 1.00 0.00 N ATOM 460 CA VAL A 31 13.045 25.120 -11.617 1.00 0.00 C ATOM 461 C VAL A 31 11.532 25.347 -11.412 1.00 0.00 C ATOM 462 O VAL A 31 10.755 24.556 -11.911 1.00 0.00 O ATOM 463 CB VAL A 31 13.463 25.629 -13.014 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.284 25.504 -13.985 1.00 0.00 C ATOM 465 CG2 VAL A 31 13.876 27.099 -12.911 1.00 0.00 C ATOM 0 H VAL A 31 12.635 23.086 -12.144 1.00 0.00 H new ATOM 0 HA VAL A 31 13.627 25.649 -10.862 1.00 0.00 H new ATOM 0 HB VAL A 31 14.299 25.033 -13.381 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.583 25.864 -14.969 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.982 24.459 -14.058 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.447 26.099 -13.620 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.172 27.464 -13.895 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.036 27.688 -12.544 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.715 27.194 -12.221 1.00 0.00 H new ATOM 475 N VAL A 32 11.105 26.389 -10.708 1.00 0.00 N ATOM 476 CA VAL A 32 9.631 26.548 -10.544 1.00 0.00 C ATOM 477 C VAL A 32 9.192 27.988 -10.437 1.00 0.00 C ATOM 478 O VAL A 32 9.992 28.902 -10.381 1.00 0.00 O ATOM 479 CB VAL A 32 9.226 25.856 -9.259 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.755 25.482 -9.326 1.00 0.00 C ATOM 481 CG2 VAL A 32 10.054 24.586 -9.066 1.00 0.00 C ATOM 0 H VAL A 32 11.691 27.097 -10.265 1.00 0.00 H new ATOM 0 HA VAL A 32 9.161 26.121 -11.430 1.00 0.00 H new ATOM 0 HB VAL A 32 9.400 26.533 -8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.464 24.984 -8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.156 26.383 -9.457 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.588 24.810 -10.168 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.756 24.095 -8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.886 23.911 -9.905 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.112 24.845 -9.015 1.00 0.00 H new ATOM 491 N THR A 33 7.902 28.137 -10.409 1.00 0.00 N ATOM 492 CA THR A 33 7.288 29.468 -10.304 1.00 0.00 C ATOM 493 C THR A 33 6.462 29.507 -9.040 1.00 0.00 C ATOM 494 O THR A 33 5.705 28.589 -8.785 1.00 0.00 O ATOM 495 CB THR A 33 6.373 29.681 -11.501 1.00 0.00 C ATOM 496 OG1 THR A 33 7.222 29.661 -12.632 1.00 0.00 O ATOM 497 CG2 THR A 33 5.777 31.095 -11.487 1.00 0.00 C ATOM 0 H THR A 33 7.236 27.366 -10.456 1.00 0.00 H new ATOM 0 HA THR A 33 8.054 30.244 -10.282 1.00 0.00 H new ATOM 0 HB THR A 33 5.580 28.933 -11.497 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.689 29.792 -13.444 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.126 31.224 -12.352 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.199 31.237 -10.574 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.582 31.829 -11.525 1.00 0.00 H new ATOM 505 N ALA A 34 6.613 30.546 -8.257 1.00 0.00 N ATOM 506 CA ALA A 34 5.817 30.610 -7.005 1.00 0.00 C ATOM 507 C ALA A 34 5.289 32.002 -6.732 1.00 0.00 C ATOM 508 O ALA A 34 5.525 32.928 -7.483 1.00 0.00 O ATOM 509 CB ALA A 34 6.721 30.193 -5.836 1.00 0.00 C ATOM 0 H ALA A 34 7.239 31.333 -8.429 1.00 0.00 H new ATOM 0 HA ALA A 34 4.962 29.943 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.155 30.233 -4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.080 29.177 -5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.571 30.872 -5.773 1.00 0.00 H new ATOM 515 N HIS A 35 4.581 32.116 -5.647 1.00 0.00 N ATOM 516 CA HIS A 35 4.011 33.421 -5.273 1.00 0.00 C ATOM 517 C HIS A 35 4.038 33.583 -3.767 1.00 0.00 C ATOM 518 O HIS A 35 4.079 32.611 -3.040 1.00 0.00 O ATOM 519 CB HIS A 35 2.558 33.465 -5.761 1.00 0.00 C ATOM 520 CG HIS A 35 1.703 32.553 -4.885 1.00 0.00 C ATOM 521 ND1 HIS A 35 1.422 32.638 -3.536 1.00 0.00 N flip ATOM 522 CD2 HIS A 35 1.097 31.539 -5.290 1.00 0.00 C flip ATOM 523 CE1 HIS A 35 0.610 31.603 -3.185 1.00 0.00 C flip ATOM 524 NE2 HIS A 35 0.461 30.972 -4.350 1.00 0.00 N flip ATOM 0 H HIS A 35 4.375 31.352 -5.003 1.00 0.00 H new ATOM 0 HA HIS A 35 4.592 34.225 -5.725 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.180 34.486 -5.720 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.502 33.146 -6.802 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.112 31.189 -6.312 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.196 31.358 -2.218 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.100 30.129 -4.472 1.00 0.00 H new ATOM 532 N ILE A 36 4.009 34.802 -3.318 1.00 0.00 N ATOM 533 CA ILE A 36 4.035 35.027 -1.856 1.00 0.00 C ATOM 534 C ILE A 36 2.621 35.080 -1.284 1.00 0.00 C ATOM 535 O ILE A 36 1.753 35.739 -1.823 1.00 0.00 O ATOM 536 CB ILE A 36 4.730 36.359 -1.594 1.00 0.00 C ATOM 537 CG1 ILE A 36 4.946 36.546 -0.099 1.00 0.00 C ATOM 538 CG2 ILE A 36 3.828 37.493 -2.106 1.00 0.00 C ATOM 539 CD1 ILE A 36 5.935 37.690 0.121 1.00 0.00 C ATOM 0 H ILE A 36 3.969 35.643 -3.894 1.00 0.00 H new ATOM 0 HA ILE A 36 4.566 34.205 -1.376 1.00 0.00 H new ATOM 0 HB ILE A 36 5.693 36.373 -2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.999 36.767 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.329 35.627 0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.312 38.453 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.658 37.368 -3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.873 37.464 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.096 37.831 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.883 37.449 -0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.532 38.607 -0.310 1.00 0.00 H new ATOM 551 N SER A 37 2.416 34.380 -0.200 1.00 0.00 N ATOM 552 CA SER A 37 1.069 34.374 0.425 1.00 0.00 C ATOM 553 C SER A 37 0.569 35.796 0.661 1.00 0.00 C ATOM 554 O SER A 37 1.291 36.752 0.457 1.00 0.00 O ATOM 555 CB SER A 37 1.172 33.652 1.777 1.00 0.00 C ATOM 556 OG SER A 37 -0.177 33.419 2.153 1.00 0.00 O ATOM 0 H SER A 37 3.121 33.816 0.275 1.00 0.00 H new ATOM 0 HA SER A 37 0.369 33.869 -0.240 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.727 32.718 1.688 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.691 34.263 2.516 1.00 0.00 H new ATOM 0 HG SER A 37 -0.201 32.954 3.016 1.00 0.00 H new ATOM 562 N GLY A 38 -0.659 35.908 1.092 1.00 0.00 N ATOM 563 CA GLY A 38 -1.231 37.262 1.350 1.00 0.00 C ATOM 564 C GLY A 38 -0.331 38.059 2.300 1.00 0.00 C ATOM 565 O GLY A 38 -0.530 39.241 2.501 1.00 0.00 O ATOM 0 H GLY A 38 -1.288 35.126 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.342 37.801 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.227 37.165 1.781 1.00 0.00 H new ATOM 569 N LYS A 39 0.640 37.397 2.865 1.00 0.00 N ATOM 570 CA LYS A 39 1.550 38.104 3.798 1.00 0.00 C ATOM 571 C LYS A 39 1.984 39.442 3.212 1.00 0.00 C ATOM 572 O LYS A 39 2.123 40.418 3.923 1.00 0.00 O ATOM 573 CB LYS A 39 2.793 37.231 4.017 1.00 0.00 C ATOM 574 CG LYS A 39 2.367 35.907 4.653 1.00 0.00 C ATOM 575 CD LYS A 39 2.233 36.096 6.165 1.00 0.00 C ATOM 576 CE LYS A 39 1.864 34.757 6.806 1.00 0.00 C ATOM 577 NZ LYS A 39 0.644 34.190 6.164 1.00 0.00 N ATOM 0 H LYS A 39 0.839 36.407 2.721 1.00 0.00 H new ATOM 0 HA LYS A 39 1.030 38.285 4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.296 37.048 3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.506 37.746 4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.419 35.575 4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.102 35.132 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.169 36.467 6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.469 36.841 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.694 34.058 6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.690 34.894 7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.231 33.464 6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.051 34.948 6.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.899 33.762 5.251 1.00 0.00 H new ATOM 591 N MET A 40 2.189 39.466 1.924 1.00 0.00 N ATOM 592 CA MET A 40 2.612 40.731 1.279 1.00 0.00 C ATOM 593 C MET A 40 1.517 41.779 1.394 1.00 0.00 C ATOM 594 O MET A 40 1.783 42.935 1.655 1.00 0.00 O ATOM 595 CB MET A 40 2.877 40.456 -0.206 1.00 0.00 C ATOM 596 CG MET A 40 1.540 40.330 -0.935 1.00 0.00 C ATOM 597 SD MET A 40 1.570 39.676 -2.623 1.00 0.00 S ATOM 598 CE MET A 40 2.814 40.810 -3.286 1.00 0.00 C ATOM 0 H MET A 40 2.082 38.668 1.298 1.00 0.00 H new ATOM 0 HA MET A 40 3.510 41.102 1.772 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.467 41.264 -0.639 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.457 39.540 -0.322 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.890 39.691 -0.338 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.078 41.317 -0.964 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.801 40.768 -4.375 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.591 41.826 -2.960 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.800 40.521 -2.923 1.00 0.00 H new ATOM 608 N ARG A 41 0.301 41.354 1.196 1.00 0.00 N ATOM 609 CA ARG A 41 -0.827 42.307 1.289 1.00 0.00 C ATOM 610 C ARG A 41 -0.824 43.004 2.641 1.00 0.00 C ATOM 611 O ARG A 41 -1.053 44.194 2.731 1.00 0.00 O ATOM 612 CB ARG A 41 -2.140 41.520 1.136 1.00 0.00 C ATOM 613 CG ARG A 41 -3.025 42.218 0.103 1.00 0.00 C ATOM 614 CD ARG A 41 -4.382 41.514 0.046 1.00 0.00 C ATOM 615 NE ARG A 41 -4.222 40.215 -0.667 1.00 0.00 N ATOM 616 CZ ARG A 41 -4.339 40.178 -1.967 1.00 0.00 C ATOM 617 NH1 ARG A 41 -5.530 40.231 -2.495 1.00 0.00 N ATOM 618 NH2 ARG A 41 -3.259 40.090 -2.695 1.00 0.00 N ATOM 0 H ARG A 41 0.045 40.392 0.975 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.731 43.059 0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.931 40.497 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.656 41.460 2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.157 43.267 0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.548 42.195 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.762 41.347 1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.110 42.140 -0.470 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.023 39.362 -0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.352 40.300 -1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.640 40.203 -3.509 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.344 40.051 -2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.331 40.060 -3.712 1.00 0.00 H new ATOM 632 N LYS A 42 -0.562 42.247 3.670 1.00 0.00 N ATOM 633 CA LYS A 42 -0.538 42.841 5.022 1.00 0.00 C ATOM 634 C LYS A 42 0.792 43.533 5.286 1.00 0.00 C ATOM 635 O LYS A 42 0.835 44.622 5.820 1.00 0.00 O ATOM 636 CB LYS A 42 -0.720 41.714 6.050 1.00 0.00 C ATOM 637 CG LYS A 42 -2.215 41.457 6.255 1.00 0.00 C ATOM 638 CD LYS A 42 -2.836 41.027 4.924 1.00 0.00 C ATOM 639 CE LYS A 42 -4.233 40.460 5.184 1.00 0.00 C ATOM 640 NZ LYS A 42 -5.031 41.402 6.018 1.00 0.00 N ATOM 0 H LYS A 42 -0.365 41.247 3.627 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.337 43.578 5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.227 40.806 5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.253 41.989 6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.364 40.682 7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.704 42.358 6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.896 41.877 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.209 40.277 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.742 40.283 4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.153 39.497 5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.041 41.168 5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.737 41.320 7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.873 42.376 5.689 1.00 0.00 H new ATOM 654 N ASN A 43 1.858 42.885 4.903 1.00 0.00 N ATOM 655 CA ASN A 43 3.196 43.489 5.124 1.00 0.00 C ATOM 656 C ASN A 43 3.536 44.481 4.021 1.00 0.00 C ATOM 657 O ASN A 43 4.673 44.883 3.871 1.00 0.00 O ATOM 658 CB ASN A 43 4.243 42.365 5.119 1.00 0.00 C ATOM 659 CG ASN A 43 5.586 42.925 5.592 1.00 0.00 C ATOM 660 OD1 ASN A 43 5.614 44.089 6.183 1.00 0.00 O flip ATOM 661 ND2 ASN A 43 6.620 42.310 5.428 1.00 0.00 N flip ATOM 0 H ASN A 43 1.858 41.971 4.450 1.00 0.00 H new ATOM 0 HA ASN A 43 3.192 44.018 6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.924 41.552 5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.342 41.949 4.117 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.605 41.400 4.967 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.504 42.703 5.751 1.00 0.00 H new ATOM 668 N TYR A 44 2.545 44.856 3.268 1.00 0.00 N ATOM 669 CA TYR A 44 2.788 45.821 2.172 1.00 0.00 C ATOM 670 C TYR A 44 3.922 45.355 1.265 1.00 0.00 C ATOM 671 O TYR A 44 4.261 44.188 1.235 1.00 0.00 O ATOM 672 CB TYR A 44 3.172 47.171 2.794 1.00 0.00 C ATOM 673 CG TYR A 44 2.202 47.493 3.932 1.00 0.00 C ATOM 674 CD1 TYR A 44 0.839 47.460 3.719 1.00 0.00 C ATOM 675 CD2 TYR A 44 2.675 47.817 5.187 1.00 0.00 C ATOM 676 CE1 TYR A 44 -0.038 47.746 4.746 1.00 0.00 C ATOM 677 CE2 TYR A 44 1.799 48.103 6.214 1.00 0.00 C ATOM 678 CZ TYR A 44 0.436 48.070 6.001 1.00 0.00 C ATOM 679 OH TYR A 44 -0.441 48.355 7.028 1.00 0.00 O ATOM 0 H TYR A 44 1.581 44.536 3.365 1.00 0.00 H new ATOM 0 HA TYR A 44 1.883 45.906 1.571 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.194 47.134 3.171 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.139 47.956 2.038 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.455 47.208 2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.739 47.847 5.367 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.102 47.716 4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.183 48.355 7.192 1.00 0.00 H new ATOM 0 HH TYR A 44 0.064 48.561 7.842 1.00 0.00 H new ATOM 689 N ILE A 45 4.490 46.284 0.544 1.00 0.00 N ATOM 690 CA ILE A 45 5.606 45.929 -0.371 1.00 0.00 C ATOM 691 C ILE A 45 6.691 45.134 0.349 1.00 0.00 C ATOM 692 O ILE A 45 7.236 45.576 1.340 1.00 0.00 O ATOM 693 CB ILE A 45 6.218 47.223 -0.901 1.00 0.00 C ATOM 694 CG1 ILE A 45 5.115 48.167 -1.353 1.00 0.00 C ATOM 695 CG2 ILE A 45 7.103 46.887 -2.114 1.00 0.00 C ATOM 696 CD1 ILE A 45 5.740 49.362 -2.078 1.00 0.00 C ATOM 0 H ILE A 45 4.228 47.270 0.551 1.00 0.00 H new ATOM 0 HA ILE A 45 5.212 45.312 -1.179 1.00 0.00 H new ATOM 0 HB ILE A 45 6.805 47.697 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.423 47.646 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.538 48.509 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.548 47.802 -2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.893 46.201 -1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.496 46.419 -2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.953 50.042 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.415 49.886 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.298 49.010 -2.946 1.00 0.00 H new ATOM 708 N ARG A 46 6.981 43.968 -0.167 1.00 0.00 N ATOM 709 CA ARG A 46 8.026 43.123 0.466 1.00 0.00 C ATOM 710 C ARG A 46 8.622 42.162 -0.558 1.00 0.00 C ATOM 711 O ARG A 46 8.168 41.042 -0.694 1.00 0.00 O ATOM 712 CB ARG A 46 7.376 42.306 1.595 1.00 0.00 C ATOM 713 CG ARG A 46 8.437 41.420 2.253 1.00 0.00 C ATOM 714 CD ARG A 46 9.634 42.282 2.656 1.00 0.00 C ATOM 715 NE ARG A 46 9.142 43.612 3.114 1.00 0.00 N ATOM 716 CZ ARG A 46 10.003 44.556 3.381 1.00 0.00 C ATOM 717 NH1 ARG A 46 10.901 44.349 4.305 1.00 0.00 N ATOM 718 NH2 ARG A 46 9.936 45.676 2.714 1.00 0.00 N ATOM 0 H ARG A 46 6.540 43.569 -0.996 1.00 0.00 H new ATOM 0 HA ARG A 46 8.818 43.761 0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.934 42.974 2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.569 41.692 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.020 40.923 3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.753 40.638 1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.198 41.795 3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.313 42.402 1.812 1.00 0.00 H new ATOM 0 HE ARG A 46 8.142 43.783 3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.922 43.461 4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.582 45.076 4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.220 45.802 1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.600 46.426 2.908 1.00 0.00 H new ATOM 732 N ILE A 47 9.628 42.625 -1.266 1.00 0.00 N ATOM 733 CA ILE A 47 10.274 41.761 -2.287 1.00 0.00 C ATOM 734 C ILE A 47 11.795 41.821 -2.180 1.00 0.00 C ATOM 735 O ILE A 47 12.361 42.848 -1.862 1.00 0.00 O ATOM 736 CB ILE A 47 9.827 42.269 -3.670 1.00 0.00 C ATOM 737 CG1 ILE A 47 9.978 41.160 -4.724 1.00 0.00 C ATOM 738 CG2 ILE A 47 10.684 43.500 -4.076 1.00 0.00 C ATOM 739 CD1 ILE A 47 11.365 41.222 -5.377 1.00 0.00 C ATOM 0 H ILE A 47 10.023 43.561 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 47 9.978 40.723 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 47 8.777 42.558 -3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.833 40.185 -4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.206 41.267 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.366 43.858 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.553 44.293 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.735 43.214 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.453 40.429 -6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 47 11.496 42.190 -5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.132 41.091 -4.614 1.00 0.00 H new ATOM 751 N LEU A 48 12.426 40.709 -2.437 1.00 0.00 N ATOM 752 CA LEU A 48 13.901 40.666 -2.360 1.00 0.00 C ATOM 753 C LEU A 48 14.437 39.595 -3.297 1.00 0.00 C ATOM 754 O LEU A 48 14.096 38.437 -3.172 1.00 0.00 O ATOM 755 CB LEU A 48 14.302 40.313 -0.918 1.00 0.00 C ATOM 756 CG LEU A 48 15.823 40.172 -0.835 1.00 0.00 C ATOM 757 CD1 LEU A 48 16.480 41.327 -1.591 1.00 0.00 C ATOM 758 CD2 LEU A 48 16.252 40.224 0.633 1.00 0.00 C ATOM 0 H LEU A 48 11.978 39.830 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 48 14.313 41.633 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.960 41.089 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.822 39.383 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 48 16.129 39.224 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.564 41.229 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.168 41.303 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.177 42.274 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.335 40.124 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.948 41.176 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.778 39.409 1.180 1.00 0.00 H new ATOM 770 N THR A 49 15.268 39.994 -4.220 1.00 0.00 N ATOM 771 CA THR A 49 15.823 38.995 -5.164 1.00 0.00 C ATOM 772 C THR A 49 16.781 38.062 -4.473 1.00 0.00 C ATOM 773 O THR A 49 17.685 38.455 -3.763 1.00 0.00 O ATOM 774 CB THR A 49 16.548 39.724 -6.296 1.00 0.00 C ATOM 775 OG1 THR A 49 16.763 38.745 -7.293 1.00 0.00 O ATOM 776 CG2 THR A 49 17.957 40.148 -5.861 1.00 0.00 C ATOM 0 H THR A 49 15.581 40.955 -4.358 1.00 0.00 H new ATOM 0 HA THR A 49 15.000 38.401 -5.562 1.00 0.00 H new ATOM 0 HB THR A 49 15.968 40.593 -6.606 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.227 39.151 -8.055 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.452 40.664 -6.684 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.887 40.816 -5.003 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.534 39.265 -5.587 1.00 0.00 H new ATOM 784 N GLY A 50 16.531 36.845 -4.718 1.00 0.00 N ATOM 785 CA GLY A 50 17.318 35.746 -4.160 1.00 0.00 C ATOM 786 C GLY A 50 16.932 35.589 -2.727 1.00 0.00 C ATOM 787 O GLY A 50 17.634 36.006 -1.825 1.00 0.00 O ATOM 0 H GLY A 50 15.766 36.540 -5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.129 34.824 -4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.384 35.957 -4.247 1.00 0.00 H new ATOM 791 N ASP A 51 15.810 34.982 -2.559 1.00 0.00 N ATOM 792 CA ASP A 51 15.292 34.738 -1.227 1.00 0.00 C ATOM 793 C ASP A 51 15.395 33.282 -0.949 1.00 0.00 C ATOM 794 O ASP A 51 14.757 32.508 -1.644 1.00 0.00 O ATOM 795 CB ASP A 51 13.812 35.158 -1.191 1.00 0.00 C ATOM 796 CG ASP A 51 13.716 36.687 -1.251 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.763 37.300 -1.123 1.00 0.00 O ATOM 798 OD2 ASP A 51 12.601 37.154 -1.418 1.00 0.00 O ATOM 0 H ASP A 51 15.221 34.639 -3.318 1.00 0.00 H new ATOM 0 HA ASP A 51 15.854 35.303 -0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.276 34.716 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.339 34.788 -0.281 1.00 0.00 H new ATOM 803 N LYS A 52 16.140 32.872 0.016 1.00 0.00 N ATOM 804 CA LYS A 52 16.169 31.430 0.214 1.00 0.00 C ATOM 805 C LYS A 52 14.855 31.112 0.872 1.00 0.00 C ATOM 806 O LYS A 52 14.638 31.504 1.998 1.00 0.00 O ATOM 807 CB LYS A 52 17.335 31.049 1.143 1.00 0.00 C ATOM 808 CG LYS A 52 18.592 30.810 0.304 1.00 0.00 C ATOM 809 CD LYS A 52 19.809 30.755 1.229 1.00 0.00 C ATOM 810 CE LYS A 52 20.992 30.158 0.466 1.00 0.00 C ATOM 811 NZ LYS A 52 21.566 31.159 -0.476 1.00 0.00 N ATOM 0 H LYS A 52 16.703 33.444 0.646 1.00 0.00 H new ATOM 0 HA LYS A 52 16.309 30.883 -0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.513 31.844 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.086 30.152 1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.501 29.877 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.712 31.608 -0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.057 31.755 1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.586 30.151 2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.758 29.831 1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.668 29.275 -0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.368 30.736 -0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.838 31.451 -1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.894 31.990 0.057 1.00 0.00 H new ATOM 825 N VAL A 53 13.993 30.407 0.176 1.00 0.00 N ATOM 826 CA VAL A 53 12.667 30.085 0.801 1.00 0.00 C ATOM 827 C VAL A 53 12.243 28.656 0.641 1.00 0.00 C ATOM 828 O VAL A 53 12.930 27.856 0.038 1.00 0.00 O ATOM 829 CB VAL A 53 11.615 30.952 0.089 1.00 0.00 C ATOM 830 CG1 VAL A 53 12.002 32.422 0.208 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.580 30.566 -1.392 1.00 0.00 C ATOM 0 H VAL A 53 14.141 30.050 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 53 12.757 30.275 1.871 1.00 0.00 H new ATOM 0 HB VAL A 53 10.638 30.794 0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.256 33.037 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.050 32.701 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.976 32.580 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.837 31.174 -1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.561 30.736 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.317 29.513 -1.487 1.00 0.00 H new ATOM 841 N ARG A 54 11.078 28.360 1.201 1.00 0.00 N ATOM 842 CA ARG A 54 10.557 26.981 1.105 1.00 0.00 C ATOM 843 C ARG A 54 9.501 26.930 0.029 1.00 0.00 C ATOM 844 O ARG A 54 8.489 27.596 0.122 1.00 0.00 O ATOM 845 CB ARG A 54 9.931 26.588 2.448 1.00 0.00 C ATOM 846 CG ARG A 54 11.056 26.336 3.455 1.00 0.00 C ATOM 847 CD ARG A 54 10.458 25.847 4.777 1.00 0.00 C ATOM 848 NE ARG A 54 11.560 25.661 5.765 1.00 0.00 N ATOM 849 CZ ARG A 54 11.324 25.018 6.876 1.00 0.00 C ATOM 850 NH1 ARG A 54 11.419 23.718 6.885 1.00 0.00 N ATOM 851 NH2 ARG A 54 11.003 25.701 7.941 1.00 0.00 N ATOM 0 H ARG A 54 10.487 29.018 1.709 1.00 0.00 H new ATOM 0 HA ARG A 54 11.366 26.292 0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.274 27.381 2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.319 25.694 2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.751 25.594 3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.625 27.251 3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.733 26.569 5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.925 24.908 4.626 1.00 0.00 H new ATOM 0 HE ARG A 54 12.490 26.033 5.574 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.674 23.219 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.238 23.199 7.744 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.941 26.718 7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.815 25.218 8.819 1.00 0.00 H new ATOM 865 N VAL A 55 9.749 26.139 -0.973 1.00 0.00 N ATOM 866 CA VAL A 55 8.771 26.033 -2.070 1.00 0.00 C ATOM 867 C VAL A 55 7.935 24.777 -1.954 1.00 0.00 C ATOM 868 O VAL A 55 8.429 23.728 -1.587 1.00 0.00 O ATOM 869 CB VAL A 55 9.540 25.971 -3.397 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.589 26.310 -4.546 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.686 26.983 -3.376 1.00 0.00 C ATOM 0 H VAL A 55 10.586 25.565 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 55 8.108 26.897 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 55 9.945 24.968 -3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.130 26.267 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.770 25.591 -4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.188 27.313 -4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.230 26.936 -4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.283 27.986 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.363 26.749 -2.555 1.00 0.00 H new ATOM 881 N GLU A 56 6.672 24.916 -2.275 1.00 0.00 N ATOM 882 CA GLU A 56 5.757 23.765 -2.203 1.00 0.00 C ATOM 883 C GLU A 56 5.226 23.492 -3.586 1.00 0.00 C ATOM 884 O GLU A 56 4.513 24.301 -4.142 1.00 0.00 O ATOM 885 CB GLU A 56 4.584 24.123 -1.280 1.00 0.00 C ATOM 886 CG GLU A 56 5.021 23.957 0.176 1.00 0.00 C ATOM 887 CD GLU A 56 3.783 23.916 1.074 1.00 0.00 C ATOM 888 OE1 GLU A 56 2.710 24.104 0.525 1.00 0.00 O ATOM 889 OE2 GLU A 56 3.979 23.699 2.258 1.00 0.00 O ATOM 0 H GLU A 56 6.245 25.789 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 56 6.278 22.888 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.263 25.149 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.730 23.480 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.599 23.040 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.670 24.782 0.469 1.00 0.00 H new ATOM 896 N LEU A 57 5.563 22.359 -4.116 1.00 0.00 N ATOM 897 CA LEU A 57 5.079 22.032 -5.467 1.00 0.00 C ATOM 898 C LEU A 57 3.807 21.230 -5.382 1.00 0.00 C ATOM 899 O LEU A 57 3.526 20.623 -4.363 1.00 0.00 O ATOM 900 CB LEU A 57 6.152 21.200 -6.178 1.00 0.00 C ATOM 901 CG LEU A 57 7.526 21.854 -5.941 1.00 0.00 C ATOM 902 CD1 LEU A 57 8.165 21.284 -4.665 1.00 0.00 C ATOM 903 CD2 LEU A 57 8.440 21.561 -7.132 1.00 0.00 C ATOM 0 H LEU A 57 6.149 21.651 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 57 4.880 22.952 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.150 20.178 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.940 21.144 -7.246 1.00 0.00 H new ATOM 0 HG LEU A 57 7.394 22.930 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.136 21.752 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.518 21.488 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.294 20.207 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.413 22.023 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.564 20.483 -7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.995 21.967 -8.040 1.00 0.00 H new ATOM 915 N THR A 58 3.055 21.234 -6.457 1.00 0.00 N ATOM 916 CA THR A 58 1.776 20.472 -6.460 1.00 0.00 C ATOM 917 C THR A 58 1.739 19.418 -7.583 1.00 0.00 C ATOM 918 O THR A 58 2.243 19.646 -8.664 1.00 0.00 O ATOM 919 CB THR A 58 0.660 21.487 -6.694 1.00 0.00 C ATOM 920 OG1 THR A 58 0.759 21.842 -8.059 1.00 0.00 O ATOM 921 CG2 THR A 58 0.962 22.794 -5.926 1.00 0.00 C ATOM 0 H THR A 58 3.272 21.728 -7.322 1.00 0.00 H new ATOM 0 HA THR A 58 1.664 19.943 -5.514 1.00 0.00 H new ATOM 0 HB THR A 58 -0.300 21.071 -6.390 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.063 22.496 -8.278 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.160 23.512 -6.099 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.034 22.581 -4.859 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.905 23.212 -6.277 1.00 0.00 H new ATOM 929 N PRO A 59 1.128 18.266 -7.293 1.00 0.00 N ATOM 930 CA PRO A 59 1.025 17.187 -8.274 1.00 0.00 C ATOM 931 C PRO A 59 0.278 17.642 -9.522 1.00 0.00 C ATOM 932 O PRO A 59 0.465 17.098 -10.592 1.00 0.00 O ATOM 933 CB PRO A 59 0.212 16.079 -7.568 1.00 0.00 C ATOM 934 CG PRO A 59 -0.163 16.609 -6.151 1.00 0.00 C ATOM 935 CD PRO A 59 0.513 17.978 -5.986 1.00 0.00 C ATOM 0 HA PRO A 59 2.011 16.854 -8.596 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.685 15.839 -8.138 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.797 15.162 -7.493 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.244 16.699 -6.047 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.175 15.917 -5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.212 18.745 -5.715 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.263 17.954 -5.195 1.00 0.00 H new ATOM 943 N TYR A 60 -0.557 18.634 -9.365 1.00 0.00 N ATOM 944 CA TYR A 60 -1.318 19.128 -10.535 1.00 0.00 C ATOM 945 C TYR A 60 -0.370 19.734 -11.555 1.00 0.00 C ATOM 946 O TYR A 60 -0.587 19.643 -12.746 1.00 0.00 O ATOM 947 CB TYR A 60 -2.297 20.209 -10.057 1.00 0.00 C ATOM 948 CG TYR A 60 -3.215 20.603 -11.214 1.00 0.00 C ATOM 949 CD1 TYR A 60 -4.314 19.831 -11.531 1.00 0.00 C ATOM 950 CD2 TYR A 60 -2.954 21.733 -11.959 1.00 0.00 C ATOM 951 CE1 TYR A 60 -5.139 20.185 -12.578 1.00 0.00 C ATOM 952 CE2 TYR A 60 -3.779 22.087 -13.007 1.00 0.00 C ATOM 953 CZ TYR A 60 -4.879 21.316 -13.324 1.00 0.00 C ATOM 954 OH TYR A 60 -5.704 21.672 -14.371 1.00 0.00 O ATOM 0 H TYR A 60 -0.740 19.116 -8.485 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.856 18.300 -10.997 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.887 19.837 -9.219 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.749 21.080 -9.699 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.530 18.943 -10.955 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.097 22.346 -11.721 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.996 19.572 -12.816 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.562 22.974 -13.584 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.371 22.496 -14.784 1.00 0.00 H new ATOM 964 N ASP A 61 0.668 20.340 -11.059 1.00 0.00 N ATOM 965 CA ASP A 61 1.659 20.967 -11.963 1.00 0.00 C ATOM 966 C ASP A 61 2.864 21.443 -11.164 1.00 0.00 C ATOM 967 O ASP A 61 3.027 22.621 -10.915 1.00 0.00 O ATOM 968 CB ASP A 61 1.001 22.172 -12.658 1.00 0.00 C ATOM 969 CG ASP A 61 1.800 22.524 -13.917 1.00 0.00 C ATOM 970 OD1 ASP A 61 2.473 21.627 -14.400 1.00 0.00 O ATOM 971 OD2 ASP A 61 1.692 23.667 -14.325 1.00 0.00 O ATOM 0 H ASP A 61 0.871 20.427 -10.063 1.00 0.00 H new ATOM 0 HA ASP A 61 1.990 20.239 -12.704 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.030 21.937 -12.921 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.971 23.026 -11.981 1.00 0.00 H new ATOM 976 N LEU A 62 3.688 20.511 -10.774 1.00 0.00 N ATOM 977 CA LEU A 62 4.888 20.876 -9.989 1.00 0.00 C ATOM 978 C LEU A 62 5.559 22.120 -10.551 1.00 0.00 C ATOM 979 O LEU A 62 6.184 22.866 -9.824 1.00 0.00 O ATOM 980 CB LEU A 62 5.864 19.703 -10.039 1.00 0.00 C ATOM 981 CG LEU A 62 5.195 18.494 -9.389 1.00 0.00 C ATOM 982 CD1 LEU A 62 5.901 17.227 -9.842 1.00 0.00 C ATOM 983 CD2 LEU A 62 5.302 18.614 -7.869 1.00 0.00 C ATOM 0 H LEU A 62 3.578 19.515 -10.967 1.00 0.00 H new ATOM 0 HA LEU A 62 4.592 21.093 -8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.135 19.478 -11.071 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.786 19.954 -9.515 1.00 0.00 H new ATOM 0 HG LEU A 62 4.146 18.455 -9.681 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.427 16.361 -9.380 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.835 17.142 -10.927 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.949 17.268 -9.545 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.825 17.752 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.352 18.649 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.805 19.527 -7.540 1.00 0.00 H new ATOM 995 N SER A 63 5.423 22.332 -11.833 1.00 0.00 N ATOM 996 CA SER A 63 6.058 23.534 -12.424 1.00 0.00 C ATOM 997 C SER A 63 5.555 24.757 -11.692 1.00 0.00 C ATOM 998 O SER A 63 6.001 25.863 -11.931 1.00 0.00 O ATOM 999 CB SER A 63 5.649 23.630 -13.903 1.00 0.00 C ATOM 1000 OG SER A 63 5.931 22.342 -14.428 1.00 0.00 O ATOM 0 H SER A 63 4.909 21.735 -12.482 1.00 0.00 H new ATOM 0 HA SER A 63 7.143 23.470 -12.341 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.593 23.880 -14.009 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.214 24.404 -14.423 1.00 0.00 H new ATOM 0 HG SER A 63 5.694 22.317 -15.379 1.00 0.00 H new ATOM 1006 N LYS A 64 4.619 24.523 -10.808 1.00 0.00 N ATOM 1007 CA LYS A 64 4.039 25.630 -10.017 1.00 0.00 C ATOM 1008 C LYS A 64 4.047 25.264 -8.543 1.00 0.00 C ATOM 1009 O LYS A 64 3.871 24.103 -8.171 1.00 0.00 O ATOM 1010 CB LYS A 64 2.585 25.855 -10.467 1.00 0.00 C ATOM 1011 CG LYS A 64 2.553 26.135 -11.970 1.00 0.00 C ATOM 1012 CD LYS A 64 1.103 26.078 -12.458 1.00 0.00 C ATOM 1013 CE LYS A 64 0.934 27.028 -13.645 1.00 0.00 C ATOM 1014 NZ LYS A 64 1.655 26.501 -14.838 1.00 0.00 N ATOM 0 H LYS A 64 4.234 23.601 -10.604 1.00 0.00 H new ATOM 0 HA LYS A 64 4.627 26.535 -10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.982 24.976 -10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.150 26.692 -9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.982 27.115 -12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.158 25.401 -12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.845 25.060 -12.752 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.424 26.359 -11.653 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.125 27.148 -13.875 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.318 28.015 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.121 26.737 -15.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.601 26.929 -14.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.746 25.468 -14.760 1.00 0.00 H new ATOM 1028 N GLY A 65 4.244 26.252 -7.731 1.00 0.00 N ATOM 1029 CA GLY A 65 4.275 26.014 -6.275 1.00 0.00 C ATOM 1030 C GLY A 65 4.115 27.337 -5.562 1.00 0.00 C ATOM 1031 O GLY A 65 3.780 28.313 -6.173 1.00 0.00 O ATOM 0 H GLY A 65 4.386 27.221 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.476 25.331 -5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.215 25.543 -5.990 1.00 0.00 H new ATOM 1035 N ARG A 66 4.284 27.327 -4.281 1.00 0.00 N ATOM 1036 CA ARG A 66 4.146 28.600 -3.513 1.00 0.00 C ATOM 1037 C ARG A 66 5.302 28.740 -2.525 1.00 0.00 C ATOM 1038 O ARG A 66 5.953 27.769 -2.202 1.00 0.00 O ATOM 1039 CB ARG A 66 2.822 28.555 -2.731 1.00 0.00 C ATOM 1040 CG ARG A 66 2.726 27.219 -1.992 1.00 0.00 C ATOM 1041 CD ARG A 66 1.345 27.095 -1.346 1.00 0.00 C ATOM 1042 NE ARG A 66 0.302 27.392 -2.369 1.00 0.00 N ATOM 1043 CZ ARG A 66 -0.958 27.362 -2.024 1.00 0.00 C ATOM 1044 NH1 ARG A 66 -1.504 28.443 -1.540 1.00 0.00 N ATOM 1045 NH2 ARG A 66 -1.626 26.252 -2.175 1.00 0.00 N ATOM 0 H ARG A 66 4.511 26.502 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 66 4.158 29.446 -4.200 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.775 29.382 -2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.978 28.670 -3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.891 26.394 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.503 27.155 -1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.205 26.091 -0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.258 27.786 -0.508 1.00 0.00 H new ATOM 0 HE ARG A 66 0.569 27.616 -3.328 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.949 29.292 -1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.486 28.439 -1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.164 25.427 -2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.610 26.209 -1.911 1.00 0.00 H new ATOM 1059 N ILE A 67 5.533 29.945 -2.053 1.00 0.00 N ATOM 1060 CA ILE A 67 6.649 30.156 -1.082 1.00 0.00 C ATOM 1061 C ILE A 67 6.104 30.328 0.321 1.00 0.00 C ATOM 1062 O ILE A 67 5.080 30.953 0.515 1.00 0.00 O ATOM 1063 CB ILE A 67 7.392 31.428 -1.468 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.253 31.172 -2.693 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.312 31.834 -0.303 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.585 32.508 -3.357 1.00 0.00 C ATOM 0 H ILE A 67 5.002 30.781 -2.297 1.00 0.00 H new ATOM 0 HA ILE A 67 7.312 29.291 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 67 6.671 32.216 -1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.169 30.656 -2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.727 30.524 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.851 32.744 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.712 32.012 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.025 31.034 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.203 32.333 -4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.662 33.006 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.127 33.139 -2.653 1.00 0.00 H new ATOM 1078 N THR A 68 6.791 29.774 1.287 1.00 0.00 N ATOM 1079 CA THR A 68 6.320 29.905 2.641 1.00 0.00 C ATOM 1080 C THR A 68 7.449 29.620 3.595 1.00 0.00 C ATOM 1081 O THR A 68 7.638 28.516 4.049 1.00 0.00 O ATOM 1082 CB THR A 68 5.196 28.887 2.863 1.00 0.00 C ATOM 1083 OG1 THR A 68 5.225 28.588 4.243 1.00 0.00 O ATOM 1084 CG2 THR A 68 5.519 27.556 2.168 1.00 0.00 C ATOM 0 H THR A 68 7.654 29.243 1.168 1.00 0.00 H new ATOM 0 HA THR A 68 5.952 30.916 2.814 1.00 0.00 H new ATOM 0 HB THR A 68 4.254 29.291 2.492 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.009 28.034 4.441 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.707 26.849 2.340 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.634 27.723 1.097 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.446 27.149 2.573 1.00 0.00 H new ATOM 1092 N TYR A 69 8.155 30.669 3.826 1.00 0.00 N ATOM 1093 CA TYR A 69 9.351 30.706 4.747 1.00 0.00 C ATOM 1094 C TYR A 69 10.514 31.268 3.976 1.00 0.00 C ATOM 1095 O TYR A 69 10.736 30.877 2.862 1.00 0.00 O ATOM 1096 CB TYR A 69 9.726 29.305 5.270 1.00 0.00 C ATOM 1097 CG TYR A 69 10.962 29.424 6.160 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.825 29.680 7.511 1.00 0.00 C ATOM 1099 CD2 TYR A 69 12.227 29.278 5.633 1.00 0.00 C ATOM 1100 CE1 TYR A 69 11.936 29.787 8.321 1.00 0.00 C ATOM 1101 CE2 TYR A 69 13.340 29.386 6.444 1.00 0.00 C ATOM 1102 CZ TYR A 69 13.203 29.641 7.794 1.00 0.00 C ATOM 1103 OH TYR A 69 14.315 29.748 8.602 1.00 0.00 O ATOM 0 H TYR A 69 7.954 31.571 3.395 1.00 0.00 H new ATOM 0 HA TYR A 69 9.104 31.323 5.611 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.896 28.878 5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.925 28.632 4.436 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.839 29.797 7.936 1.00 0.00 H new ATOM 0 HD2 TYR A 69 12.349 29.078 4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.814 29.986 9.375 1.00 0.00 H new ATOM 0 HE2 TYR A 69 14.326 29.270 6.018 1.00 0.00 H new ATOM 0 HH TYR A 69 15.124 29.616 8.064 1.00 0.00 H new ATOM 1113 N ARG A 70 11.227 32.196 4.569 1.00 0.00 N ATOM 1114 CA ARG A 70 12.382 32.786 3.852 1.00 0.00 C ATOM 1115 C ARG A 70 13.591 32.963 4.756 1.00 0.00 C ATOM 1116 O ARG A 70 13.464 33.111 5.955 1.00 0.00 O ATOM 1117 CB ARG A 70 11.965 34.161 3.317 1.00 0.00 C ATOM 1118 CG ARG A 70 11.817 35.123 4.487 1.00 0.00 C ATOM 1119 CD ARG A 70 10.911 36.282 4.069 1.00 0.00 C ATOM 1120 NE ARG A 70 10.817 37.252 5.196 1.00 0.00 N ATOM 1121 CZ ARG A 70 9.978 38.245 5.115 1.00 0.00 C ATOM 1122 NH1 ARG A 70 8.710 38.018 5.322 1.00 0.00 N ATOM 1123 NH2 ARG A 70 10.434 39.434 4.829 1.00 0.00 N ATOM 0 H ARG A 70 11.056 32.561 5.506 1.00 0.00 H new ATOM 0 HA ARG A 70 12.664 32.107 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.711 34.534 2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.024 34.084 2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.393 34.606 5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.794 35.500 4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.312 36.773 3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.920 35.911 3.808 1.00 0.00 H new ATOM 0 HE ARG A 70 11.404 37.140 6.023 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.390 37.075 5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.039 38.784 5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.432 39.573 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.792 40.224 4.761 1.00 0.00 H new ATOM 1137 N ALA A 71 14.750 32.942 4.145 1.00 0.00 N ATOM 1138 CA ALA A 71 15.995 33.105 4.916 1.00 0.00 C ATOM 1139 C ALA A 71 16.999 33.958 4.144 1.00 0.00 C ATOM 1140 O ALA A 71 17.019 33.949 2.922 1.00 0.00 O ATOM 1141 CB ALA A 71 16.604 31.714 5.152 1.00 0.00 C ATOM 0 H ALA A 71 14.875 32.818 3.140 1.00 0.00 H new ATOM 0 HA ALA A 71 15.769 33.599 5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.528 31.813 5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.898 31.098 5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 71 16.818 31.243 4.193 1.00 0.00 H new ATOM 1147 N ARG A 72 17.814 34.679 4.867 1.00 0.00 N ATOM 1148 CA ARG A 72 18.823 35.539 4.199 1.00 0.00 C ATOM 1149 C ARG A 72 18.149 36.566 3.299 1.00 0.00 C ATOM 1150 O ARG A 72 17.751 36.161 2.220 1.00 0.00 O ATOM 1151 CB ARG A 72 19.733 34.649 3.340 1.00 0.00 C ATOM 1152 CG ARG A 72 21.068 35.363 3.120 1.00 0.00 C ATOM 1153 CD ARG A 72 20.836 36.605 2.258 1.00 0.00 C ATOM 1154 NE ARG A 72 22.131 37.025 1.655 1.00 0.00 N ATOM 1155 CZ ARG A 72 23.111 37.393 2.433 1.00 0.00 C ATOM 1156 NH1 ARG A 72 23.184 38.640 2.807 1.00 0.00 N ATOM 1157 NH2 ARG A 72 23.984 36.499 2.814 1.00 0.00 N ATOM 1158 OXT ARG A 72 18.071 37.701 3.738 1.00 0.00 O ATOM 0 H ARG A 72 17.822 34.707 5.887 1.00 0.00 H new ATOM 0 HA ARG A 72 19.399 36.066 4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.896 33.691 3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.257 34.438 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.505 35.646 4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 72 21.776 34.694 2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 72 20.109 36.390 1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 72 20.423 37.412 2.864 1.00 0.00 H new ATOM 0 HE ARG A 72 22.251 37.025 0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.482 39.309 2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.943 38.946 3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 72 23.892 35.532 2.503 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.757 36.768 3.422 1.00 0.00 H new TER 1172 ARG A 72