USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 968 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 115 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.7!) USER MOD Set 2.1: A 68 LYS NZ :NH3+ 141:sc= 0.133 (180deg=0) USER MOD Set 2.2: A 120 TYR OH : rot 165:sc= 0.0122 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -177:sc= -3.31! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.106 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.489 X(o=-0.49,f=-0.24) USER MOD Single : A 30 THR OG1 : rot 132:sc= -1.33 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -137:sc= -0.695 (180deg=-2.77!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.73) USER MOD Single : A 71 SER OG : rot 51:sc= 0.155 USER MOD Single : A 74 SER OG : rot 170:sc= -1.57 USER MOD Single : A 80 THR OG1 : rot -149:sc= -2.79! USER MOD Single : A 82 HIS : no HD1:sc= -0.0831 X(o=-0.083,f=-0.29) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -140:sc= -0.21 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= -0.0583 (180deg=-0.0583) USER MOD Single : A 121 SER OG : rot 180:sc= 0.0277 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.107 -0.216 18.459 1.00 0.00 N ATOM 2 CA MET A 1 -0.833 -0.787 17.295 1.00 0.00 C ATOM 3 C MET A 1 -0.366 -0.152 15.989 1.00 0.00 C ATOM 4 O MET A 1 0.212 0.934 15.987 1.00 0.00 O ATOM 5 CB MET A 1 -2.331 -0.550 17.492 1.00 0.00 C ATOM 6 CG MET A 1 -3.200 -1.677 16.955 1.00 0.00 C ATOM 7 SD MET A 1 -4.638 -2.001 17.993 1.00 0.00 S ATOM 8 CE MET A 1 -5.507 -3.212 17.002 1.00 0.00 C ATOM 0 H1 MET A 1 -0.445 -0.666 19.334 1.00 0.00 H new ATOM 0 H2 MET A 1 0.913 -0.390 18.352 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.280 0.808 18.508 1.00 0.00 H new ATOM 0 HA MET A 1 -0.626 -1.855 17.232 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.533 -0.421 18.555 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.611 0.381 16.999 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.533 -1.425 15.948 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.602 -2.585 16.875 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.422 -3.512 17.513 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.758 -2.778 16.034 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.871 -4.085 16.854 1.00 0.00 H new ATOM 20 N LYS A 2 -0.621 -0.839 14.880 1.00 0.00 N ATOM 21 CA LYS A 2 -0.226 -0.343 13.566 1.00 0.00 C ATOM 22 C LYS A 2 -1.383 -0.448 12.576 1.00 0.00 C ATOM 23 O LYS A 2 -2.341 -1.188 12.801 1.00 0.00 O ATOM 24 CB LYS A 2 0.980 -1.125 13.045 1.00 0.00 C ATOM 25 CG LYS A 2 2.160 -1.138 14.003 1.00 0.00 C ATOM 26 CD LYS A 2 3.251 -0.178 13.560 1.00 0.00 C ATOM 27 CE LYS A 2 4.454 -0.232 14.488 1.00 0.00 C ATOM 28 NZ LYS A 2 4.232 0.558 15.731 1.00 0.00 N ATOM 0 H LYS A 2 -1.099 -1.740 14.865 1.00 0.00 H new ATOM 0 HA LYS A 2 0.048 0.707 13.667 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.676 -2.152 12.843 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.299 -0.694 12.096 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.821 -0.867 15.003 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.567 -2.147 14.067 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.563 -0.424 12.545 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.855 0.837 13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.665 -1.269 14.750 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.332 0.150 13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.075 0.496 16.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.056 1.553 15.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.410 0.178 16.242 1.00 0.00 H new ATOM 42 N ARG A 3 -1.287 0.298 11.479 1.00 0.00 N ATOM 43 CA ARG A 3 -2.327 0.291 10.455 1.00 0.00 C ATOM 44 C ARG A 3 -1.717 0.414 9.062 1.00 0.00 C ATOM 45 O ARG A 3 -1.002 1.370 8.769 1.00 0.00 O ATOM 46 CB ARG A 3 -3.318 1.433 10.690 1.00 0.00 C ATOM 47 CG ARG A 3 -3.610 1.700 12.158 1.00 0.00 C ATOM 48 CD ARG A 3 -2.532 2.565 12.791 1.00 0.00 C ATOM 49 NE ARG A 3 -3.071 3.435 13.833 1.00 0.00 N ATOM 50 CZ ARG A 3 -2.328 4.260 14.566 1.00 0.00 C ATOM 51 NH1 ARG A 3 -1.017 4.332 14.374 1.00 0.00 N ATOM 52 NH2 ARG A 3 -2.898 5.017 15.494 1.00 0.00 N ATOM 0 H ARG A 3 -0.500 0.915 11.276 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.858 -0.659 10.521 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.924 2.342 10.236 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.253 1.201 10.180 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.577 2.193 12.254 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.680 0.754 12.694 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.758 1.926 13.216 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.056 3.173 12.021 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.075 3.409 14.009 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.573 3.753 13.661 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.453 4.967 14.939 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.905 4.966 15.645 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.329 5.650 16.056 1.00 0.00 H new ATOM 66 N VAL A 4 -2.003 -0.559 8.206 1.00 0.00 N ATOM 67 CA VAL A 4 -1.482 -0.555 6.844 1.00 0.00 C ATOM 68 C VAL A 4 -2.604 -0.788 5.834 1.00 0.00 C ATOM 69 O VAL A 4 -3.546 -1.528 6.103 1.00 0.00 O ATOM 70 CB VAL A 4 -0.391 -1.630 6.663 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.195 -1.572 5.260 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.700 -1.465 7.716 1.00 0.00 C ATOM 0 H VAL A 4 -2.592 -1.361 8.430 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.040 0.425 6.665 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.848 -2.611 6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.963 -2.339 5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.594 -1.745 4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.637 -0.590 5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.462 -2.232 7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.154 -0.479 7.618 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.265 -1.566 8.710 1.00 0.00 H new ATOM 82 N LEU A 5 -2.506 -0.144 4.674 1.00 0.00 N ATOM 83 CA LEU A 5 -3.529 -0.285 3.642 1.00 0.00 C ATOM 84 C LEU A 5 -3.035 -1.139 2.478 1.00 0.00 C ATOM 85 O LEU A 5 -1.884 -1.030 2.057 1.00 0.00 O ATOM 86 CB LEU A 5 -3.960 1.090 3.129 1.00 0.00 C ATOM 87 CG LEU A 5 -5.114 1.073 2.124 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.383 0.541 2.773 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.347 2.467 1.558 1.00 0.00 C ATOM 0 H LEU A 5 -1.735 0.476 4.426 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.385 -0.787 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.249 1.705 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.101 1.574 2.664 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.845 0.408 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.191 0.537 2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.211 -0.475 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.657 1.179 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.171 2.437 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.593 3.152 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.444 2.811 1.054 1.00 0.00 H new ATOM 101 N VAL A 6 -3.922 -1.987 1.963 1.00 0.00 N ATOM 102 CA VAL A 6 -3.589 -2.865 0.846 1.00 0.00 C ATOM 103 C VAL A 6 -4.464 -2.570 -0.366 1.00 0.00 C ATOM 104 O VAL A 6 -5.691 -2.566 -0.272 1.00 0.00 O ATOM 105 CB VAL A 6 -3.764 -4.348 1.224 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.205 -5.252 0.134 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.111 -4.642 2.564 1.00 0.00 C ATOM 0 H VAL A 6 -4.879 -2.084 2.303 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.544 -2.674 0.600 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.830 -4.553 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.339 -6.295 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.732 -5.063 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.143 -5.046 -0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.247 -5.695 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.046 -4.417 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.571 -4.026 3.336 1.00 0.00 H new ATOM 117 N VAL A 7 -3.829 -2.340 -1.510 1.00 0.00 N ATOM 118 CA VAL A 7 -4.555 -2.064 -2.743 1.00 0.00 C ATOM 119 C VAL A 7 -4.281 -3.153 -3.774 1.00 0.00 C ATOM 120 O VAL A 7 -3.146 -3.328 -4.215 1.00 0.00 O ATOM 121 CB VAL A 7 -4.175 -0.691 -3.333 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.042 -0.366 -4.540 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.294 0.396 -2.275 1.00 0.00 C ATOM 0 H VAL A 7 -2.814 -2.339 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.617 -2.049 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.137 -0.735 -3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.758 0.607 -4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.901 -1.129 -5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.090 -0.342 -4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.022 1.358 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.321 0.439 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.625 0.171 -1.445 1.00 0.00 H new ATOM 133 N ASP A 8 -5.323 -3.892 -4.145 1.00 0.00 N ATOM 134 CA ASP A 8 -5.177 -4.971 -5.111 1.00 0.00 C ATOM 135 C ASP A 8 -6.374 -5.008 -6.062 1.00 0.00 C ATOM 136 O ASP A 8 -7.414 -4.419 -5.783 1.00 0.00 O ATOM 137 CB ASP A 8 -5.011 -6.307 -4.371 1.00 0.00 C ATOM 138 CG ASP A 8 -5.333 -7.515 -5.233 1.00 0.00 C ATOM 139 OD1 ASP A 8 -6.517 -7.693 -5.585 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.400 -8.280 -5.554 1.00 0.00 O ATOM 0 H ASP A 8 -6.271 -3.763 -3.792 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.286 -4.796 -5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.986 -6.390 -4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.659 -6.312 -3.494 1.00 0.00 H new ATOM 145 N ASP A 9 -6.209 -5.690 -7.189 1.00 0.00 N ATOM 146 CA ASP A 9 -7.266 -5.792 -8.190 1.00 0.00 C ATOM 147 C ASP A 9 -8.493 -6.526 -7.642 1.00 0.00 C ATOM 148 O ASP A 9 -9.438 -5.896 -7.167 1.00 0.00 O ATOM 149 CB ASP A 9 -6.732 -6.492 -9.446 1.00 0.00 C ATOM 150 CG ASP A 9 -7.826 -6.837 -10.440 1.00 0.00 C ATOM 151 OD1 ASP A 9 -8.322 -5.915 -11.121 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.185 -8.029 -10.537 1.00 0.00 O ATOM 0 H ASP A 9 -5.350 -6.183 -7.434 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.582 -4.782 -8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.998 -5.848 -9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.212 -7.405 -9.154 1.00 0.00 H new ATOM 157 N GLU A 10 -8.485 -7.856 -7.723 1.00 0.00 N ATOM 158 CA GLU A 10 -9.611 -8.655 -7.247 1.00 0.00 C ATOM 159 C GLU A 10 -9.169 -9.673 -6.196 1.00 0.00 C ATOM 160 O GLU A 10 -8.075 -9.576 -5.643 1.00 0.00 O ATOM 161 CB GLU A 10 -10.281 -9.370 -8.426 1.00 0.00 C ATOM 162 CG GLU A 10 -11.727 -8.957 -8.647 1.00 0.00 C ATOM 163 CD GLU A 10 -12.700 -9.757 -7.803 1.00 0.00 C ATOM 164 OE1 GLU A 10 -12.861 -9.427 -6.610 1.00 0.00 O ATOM 165 OE2 GLU A 10 -13.301 -10.714 -8.336 1.00 0.00 O ATOM 0 H GLU A 10 -7.715 -8.400 -8.112 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.328 -7.981 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.712 -9.168 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.241 -10.446 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.837 -7.898 -8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.979 -9.081 -9.700 1.00 0.00 H new ATOM 172 N GLU A 11 -10.035 -10.650 -5.924 1.00 0.00 N ATOM 173 CA GLU A 11 -9.749 -11.691 -4.940 1.00 0.00 C ATOM 174 C GLU A 11 -9.877 -11.147 -3.521 1.00 0.00 C ATOM 175 O GLU A 11 -9.256 -10.143 -3.171 1.00 0.00 O ATOM 176 CB GLU A 11 -8.348 -12.273 -5.154 1.00 0.00 C ATOM 177 CG GLU A 11 -8.038 -12.586 -6.609 1.00 0.00 C ATOM 178 CD GLU A 11 -7.228 -13.859 -6.770 1.00 0.00 C ATOM 179 OE1 GLU A 11 -7.429 -14.796 -5.969 1.00 0.00 O ATOM 180 OE2 GLU A 11 -6.392 -13.917 -7.696 1.00 0.00 O ATOM 0 H GLU A 11 -10.945 -10.741 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.482 -12.487 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.608 -11.567 -4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.248 -13.185 -4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.972 -12.681 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.490 -11.752 -7.048 1.00 0.00 H new ATOM 187 N SER A 12 -10.690 -11.816 -2.709 1.00 0.00 N ATOM 188 CA SER A 12 -10.907 -11.403 -1.325 1.00 0.00 C ATOM 189 C SER A 12 -9.583 -11.283 -0.576 1.00 0.00 C ATOM 190 O SER A 12 -8.925 -12.285 -0.293 1.00 0.00 O ATOM 191 CB SER A 12 -11.821 -12.398 -0.611 1.00 0.00 C ATOM 192 OG SER A 12 -11.771 -12.222 0.794 1.00 0.00 O ATOM 0 H SER A 12 -11.211 -12.648 -2.986 1.00 0.00 H new ATOM 0 HA SER A 12 -11.386 -10.424 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.846 -12.270 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.523 -13.416 -0.864 1.00 0.00 H new ATOM 0 HG SER A 12 -12.366 -12.870 1.226 1.00 0.00 H new ATOM 198 N ILE A 13 -9.198 -10.050 -0.260 1.00 0.00 N ATOM 199 CA ILE A 13 -7.963 -9.790 0.448 1.00 0.00 C ATOM 200 C ILE A 13 -6.770 -10.342 -0.320 1.00 0.00 C ATOM 201 O ILE A 13 -6.925 -11.134 -1.249 1.00 0.00 O ATOM 202 CB ILE A 13 -8.005 -10.429 1.837 1.00 0.00 C ATOM 203 CG1 ILE A 13 -9.259 -9.988 2.594 1.00 0.00 C ATOM 204 CG2 ILE A 13 -6.749 -10.111 2.638 1.00 0.00 C ATOM 205 CD1 ILE A 13 -9.260 -8.520 2.959 1.00 0.00 C ATOM 0 H ILE A 13 -9.734 -9.213 -0.489 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.854 -8.710 0.544 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.043 -11.510 1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.136 -10.203 1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.351 -10.580 3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.814 -10.581 3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.875 -10.492 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.658 -9.032 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.179 -8.279 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.402 -8.303 3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.200 -7.919 2.051 1.00 0.00 H new ATOM 217 N THR A 14 -5.584 -9.923 0.084 1.00 0.00 N ATOM 218 CA THR A 14 -4.354 -10.373 -0.547 1.00 0.00 C ATOM 219 C THR A 14 -3.831 -11.627 0.150 1.00 0.00 C ATOM 220 O THR A 14 -3.517 -11.600 1.339 1.00 0.00 O ATOM 221 CB THR A 14 -3.305 -9.258 -0.510 1.00 0.00 C ATOM 222 OG1 THR A 14 -3.026 -8.875 0.824 1.00 0.00 O ATOM 223 CG2 THR A 14 -3.729 -8.012 -1.262 1.00 0.00 C ATOM 0 H THR A 14 -5.445 -9.267 0.852 1.00 0.00 H new ATOM 0 HA THR A 14 -4.561 -10.619 -1.588 1.00 0.00 H new ATOM 0 HB THR A 14 -2.423 -9.677 -0.995 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.388 -8.131 0.824 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.941 -7.262 -1.196 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.907 -8.261 -2.308 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.645 -7.616 -0.823 1.00 0.00 H new ATOM 231 N SER A 15 -3.759 -12.729 -0.588 1.00 0.00 N ATOM 232 CA SER A 15 -3.295 -13.998 -0.032 1.00 0.00 C ATOM 233 C SER A 15 -1.965 -13.842 0.706 1.00 0.00 C ATOM 234 O SER A 15 -1.061 -13.148 0.242 1.00 0.00 O ATOM 235 CB SER A 15 -3.150 -15.039 -1.142 1.00 0.00 C ATOM 236 OG SER A 15 -2.228 -14.609 -2.129 1.00 0.00 O ATOM 0 H SER A 15 -4.016 -12.771 -1.574 1.00 0.00 H new ATOM 0 HA SER A 15 -4.042 -14.332 0.688 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.816 -15.985 -0.716 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.121 -15.222 -1.602 1.00 0.00 H new ATOM 0 HG SER A 15 -2.152 -15.293 -2.826 1.00 0.00 H new ATOM 242 N SER A 16 -1.857 -14.512 1.854 1.00 0.00 N ATOM 243 CA SER A 16 -0.642 -14.479 2.671 1.00 0.00 C ATOM 244 C SER A 16 -0.526 -13.190 3.486 1.00 0.00 C ATOM 245 O SER A 16 0.420 -13.026 4.254 1.00 0.00 O ATOM 246 CB SER A 16 0.601 -14.649 1.793 1.00 0.00 C ATOM 247 OG SER A 16 0.387 -15.626 0.789 1.00 0.00 O ATOM 0 H SER A 16 -2.603 -15.089 2.242 1.00 0.00 H new ATOM 0 HA SER A 16 -0.710 -15.310 3.373 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.855 -13.696 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.450 -14.939 2.412 1.00 0.00 H new ATOM 0 HG SER A 16 1.195 -15.714 0.241 1.00 0.00 H new ATOM 253 N LEU A 17 -1.482 -12.279 3.326 1.00 0.00 N ATOM 254 CA LEU A 17 -1.456 -11.017 4.063 1.00 0.00 C ATOM 255 C LEU A 17 -2.198 -11.149 5.390 1.00 0.00 C ATOM 256 O LEU A 17 -1.654 -10.843 6.451 1.00 0.00 O ATOM 257 CB LEU A 17 -2.093 -9.900 3.222 1.00 0.00 C ATOM 258 CG LEU A 17 -1.361 -8.545 3.189 1.00 0.00 C ATOM 259 CD1 LEU A 17 -2.345 -7.409 3.420 1.00 0.00 C ATOM 260 CD2 LEU A 17 -0.232 -8.478 4.212 1.00 0.00 C ATOM 0 H LEU A 17 -2.279 -12.388 2.698 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.416 -10.765 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.187 -10.259 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.103 -9.730 3.594 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.914 -8.441 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.814 -6.457 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.105 -7.422 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.822 -7.532 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.256 -7.505 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.639 -8.619 5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.496 -9.262 4.002 1.00 0.00 H new ATOM 272 N SER A 18 -3.447 -11.603 5.320 1.00 0.00 N ATOM 273 CA SER A 18 -4.273 -11.774 6.514 1.00 0.00 C ATOM 274 C SER A 18 -3.507 -12.501 7.615 1.00 0.00 C ATOM 275 O SER A 18 -3.304 -11.961 8.702 1.00 0.00 O ATOM 276 CB SER A 18 -5.548 -12.544 6.169 1.00 0.00 C ATOM 277 OG SER A 18 -6.667 -12.015 6.859 1.00 0.00 O ATOM 0 H SER A 18 -3.910 -11.860 4.448 1.00 0.00 H new ATOM 0 HA SER A 18 -4.541 -10.784 6.882 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.725 -12.498 5.094 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.422 -13.596 6.427 1.00 0.00 H new ATOM 0 HG SER A 18 -7.470 -12.524 6.620 1.00 0.00 H new ATOM 283 N ALA A 19 -3.083 -13.727 7.324 1.00 0.00 N ATOM 284 CA ALA A 19 -2.336 -14.530 8.288 1.00 0.00 C ATOM 285 C ALA A 19 -1.170 -13.741 8.872 1.00 0.00 C ATOM 286 O ALA A 19 -0.881 -13.829 10.066 1.00 0.00 O ATOM 287 CB ALA A 19 -1.831 -15.803 7.626 1.00 0.00 C ATOM 0 H ALA A 19 -3.244 -14.187 6.428 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.007 -14.795 9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.275 -16.395 8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.678 -16.382 7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.178 -15.545 6.792 1.00 0.00 H new ATOM 293 N ILE A 20 -0.505 -12.971 8.020 1.00 0.00 N ATOM 294 CA ILE A 20 0.632 -12.163 8.440 1.00 0.00 C ATOM 295 C ILE A 20 0.207 -11.092 9.441 1.00 0.00 C ATOM 296 O ILE A 20 0.597 -11.134 10.608 1.00 0.00 O ATOM 297 CB ILE A 20 1.319 -11.502 7.222 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.134 -12.539 6.453 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.209 -10.342 7.651 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.728 -12.002 5.171 1.00 0.00 C ATOM 0 H ILE A 20 -0.735 -12.889 7.030 1.00 0.00 H new ATOM 0 HA ILE A 20 1.345 -12.829 8.927 1.00 0.00 H new ATOM 0 HB ILE A 20 0.542 -11.104 6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.937 -12.906 7.092 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.497 -13.392 6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.677 -9.899 6.772 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.606 -9.590 8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.981 -10.707 8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.294 -12.790 4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.928 -11.661 4.514 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.391 -11.167 5.399 1.00 0.00 H new ATOM 312 N LEU A 21 -0.593 -10.135 8.983 1.00 0.00 N ATOM 313 CA LEU A 21 -1.065 -9.060 9.847 1.00 0.00 C ATOM 314 C LEU A 21 -1.663 -9.617 11.135 1.00 0.00 C ATOM 315 O LEU A 21 -1.627 -8.968 12.181 1.00 0.00 O ATOM 316 CB LEU A 21 -2.096 -8.220 9.106 1.00 0.00 C ATOM 317 CG LEU A 21 -1.643 -7.752 7.725 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.721 -8.016 6.690 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.269 -6.280 7.761 1.00 0.00 C ATOM 0 H LEU A 21 -0.927 -10.082 8.021 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.215 -8.432 10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.012 -8.800 8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.341 -7.347 9.711 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.758 -8.320 7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.379 -7.675 5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.932 -9.085 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.628 -7.478 6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.948 -5.962 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.134 -5.692 8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.456 -6.128 8.471 1.00 0.00 H new ATOM 331 N GLU A 22 -2.203 -10.828 11.053 1.00 0.00 N ATOM 332 CA GLU A 22 -2.799 -11.479 12.211 1.00 0.00 C ATOM 333 C GLU A 22 -1.719 -11.938 13.185 1.00 0.00 C ATOM 334 O GLU A 22 -1.953 -12.026 14.391 1.00 0.00 O ATOM 335 CB GLU A 22 -3.649 -12.666 11.774 1.00 0.00 C ATOM 336 CG GLU A 22 -4.904 -12.854 12.609 1.00 0.00 C ATOM 337 CD GLU A 22 -5.599 -14.172 12.329 1.00 0.00 C ATOM 338 OE1 GLU A 22 -6.052 -14.372 11.182 1.00 0.00 O ATOM 339 OE2 GLU A 22 -5.691 -15.003 13.256 1.00 0.00 O ATOM 0 H GLU A 22 -2.240 -11.378 10.195 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.438 -10.756 12.718 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.933 -12.534 10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.047 -13.573 11.828 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.644 -12.802 13.666 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.594 -12.034 12.410 1.00 0.00 H new ATOM 346 N GLU A 23 -0.531 -12.225 12.656 1.00 0.00 N ATOM 347 CA GLU A 23 0.584 -12.668 13.477 1.00 0.00 C ATOM 348 C GLU A 23 1.289 -11.468 14.104 1.00 0.00 C ATOM 349 O GLU A 23 1.775 -11.538 15.233 1.00 0.00 O ATOM 350 CB GLU A 23 1.564 -13.484 12.629 1.00 0.00 C ATOM 351 CG GLU A 23 2.929 -13.671 13.272 1.00 0.00 C ATOM 352 CD GLU A 23 3.429 -15.099 13.177 1.00 0.00 C ATOM 353 OE1 GLU A 23 2.992 -15.821 12.256 1.00 0.00 O ATOM 354 OE2 GLU A 23 4.257 -15.495 14.024 1.00 0.00 O ATOM 0 H GLU A 23 -0.320 -12.157 11.660 1.00 0.00 H new ATOM 0 HA GLU A 23 0.204 -13.301 14.279 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.129 -14.464 12.431 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.692 -12.992 11.665 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.647 -13.006 12.791 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.876 -13.378 14.321 1.00 0.00 H new ATOM 361 N GLU A 24 1.340 -10.370 13.359 1.00 0.00 N ATOM 362 CA GLU A 24 1.985 -9.152 13.834 1.00 0.00 C ATOM 363 C GLU A 24 1.058 -8.365 14.756 1.00 0.00 C ATOM 364 O GLU A 24 1.495 -7.809 15.763 1.00 0.00 O ATOM 365 CB GLU A 24 2.406 -8.280 12.652 1.00 0.00 C ATOM 366 CG GLU A 24 3.615 -8.815 11.903 1.00 0.00 C ATOM 367 CD GLU A 24 4.926 -8.333 12.493 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.302 -7.171 12.233 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.576 -9.119 13.214 1.00 0.00 O ATOM 0 H GLU A 24 0.942 -10.298 12.423 1.00 0.00 H new ATOM 0 HA GLU A 24 2.871 -9.439 14.401 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.569 -8.193 11.959 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.627 -7.276 13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.593 -9.905 11.917 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.556 -8.508 10.859 1.00 0.00 H new ATOM 376 N GLY A 25 -0.222 -8.319 14.402 1.00 0.00 N ATOM 377 CA GLY A 25 -1.188 -7.594 15.204 1.00 0.00 C ATOM 378 C GLY A 25 -1.379 -6.172 14.721 1.00 0.00 C ATOM 379 O GLY A 25 -1.293 -5.224 15.502 1.00 0.00 O ATOM 0 H GLY A 25 -0.607 -8.772 13.573 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.144 -8.116 15.178 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.859 -7.582 16.243 1.00 0.00 H new ATOM 383 N TYR A 26 -1.631 -6.024 13.425 1.00 0.00 N ATOM 384 CA TYR A 26 -1.826 -4.710 12.824 1.00 0.00 C ATOM 385 C TYR A 26 -3.299 -4.444 12.540 1.00 0.00 C ATOM 386 O TYR A 26 -4.171 -5.249 12.869 1.00 0.00 O ATOM 387 CB TYR A 26 -1.047 -4.610 11.511 1.00 0.00 C ATOM 388 CG TYR A 26 0.424 -4.306 11.676 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.149 -4.805 12.750 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.089 -3.517 10.746 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.495 -4.526 12.892 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.434 -3.233 10.881 1.00 0.00 C ATOM 393 CZ TYR A 26 3.133 -3.740 11.955 1.00 0.00 C ATOM 394 OH TYR A 26 4.472 -3.461 12.094 1.00 0.00 O ATOM 0 H TYR A 26 -1.705 -6.801 12.768 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.462 -3.967 13.534 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.152 -5.550 10.969 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.498 -3.833 10.894 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.653 -5.421 13.486 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.545 -3.119 9.903 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.045 -4.922 13.733 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.935 -2.617 10.149 1.00 0.00 H new ATOM 0 HH TYR A 26 4.822 -3.108 11.249 1.00 0.00 H new ATOM 404 N HIS A 27 -3.554 -3.314 11.895 1.00 0.00 N ATOM 405 CA HIS A 27 -4.901 -2.917 11.511 1.00 0.00 C ATOM 406 C HIS A 27 -4.929 -2.673 10.007 1.00 0.00 C ATOM 407 O HIS A 27 -4.870 -1.533 9.548 1.00 0.00 O ATOM 408 CB HIS A 27 -5.327 -1.656 12.268 1.00 0.00 C ATOM 409 CG HIS A 27 -6.636 -1.799 12.982 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.385 -0.722 13.403 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.329 -2.904 13.348 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.483 -1.157 13.997 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.472 -2.476 13.977 1.00 0.00 N ATOM 0 H HIS A 27 -2.832 -2.647 11.623 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.603 -3.711 11.766 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.554 -1.398 12.992 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.395 -0.826 11.565 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.037 -3.930 13.177 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.257 -0.538 14.426 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.196 -3.080 14.366 1.00 0.00 H new ATOM 422 N PRO A 28 -4.968 -3.759 9.219 1.00 0.00 N ATOM 423 CA PRO A 28 -4.945 -3.677 7.765 1.00 0.00 C ATOM 424 C PRO A 28 -6.312 -3.493 7.119 1.00 0.00 C ATOM 425 O PRO A 28 -7.340 -3.894 7.664 1.00 0.00 O ATOM 426 CB PRO A 28 -4.351 -5.023 7.366 1.00 0.00 C ATOM 427 CG PRO A 28 -4.795 -5.969 8.432 1.00 0.00 C ATOM 428 CD PRO A 28 -4.989 -5.155 9.690 1.00 0.00 C ATOM 0 HA PRO A 28 -4.386 -2.803 7.431 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.708 -5.337 6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.264 -4.974 7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.723 -6.465 8.146 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.051 -6.750 8.589 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.932 -5.397 10.180 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.196 -5.344 10.414 1.00 0.00 H new ATOM 436 N ASP A 29 -6.289 -2.899 5.931 1.00 0.00 N ATOM 437 CA ASP A 29 -7.490 -2.658 5.146 1.00 0.00 C ATOM 438 C ASP A 29 -7.173 -2.926 3.680 1.00 0.00 C ATOM 439 O ASP A 29 -6.105 -2.552 3.198 1.00 0.00 O ATOM 440 CB ASP A 29 -7.979 -1.221 5.332 1.00 0.00 C ATOM 441 CG ASP A 29 -9.221 -0.921 4.514 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.335 -1.204 5.002 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.078 -0.403 3.386 1.00 0.00 O ATOM 0 H ASP A 29 -5.432 -2.570 5.485 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.285 -3.324 5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.191 -1.046 6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.185 -0.530 5.048 1.00 0.00 H new ATOM 448 N THR A 30 -8.076 -3.593 2.977 1.00 0.00 N ATOM 449 CA THR A 30 -7.836 -3.917 1.576 1.00 0.00 C ATOM 450 C THR A 30 -8.815 -3.209 0.647 1.00 0.00 C ATOM 451 O THR A 30 -9.994 -3.052 0.963 1.00 0.00 O ATOM 452 CB THR A 30 -7.926 -5.427 1.360 1.00 0.00 C ATOM 453 OG1 THR A 30 -9.276 -5.855 1.376 1.00 0.00 O ATOM 454 CG2 THR A 30 -7.177 -6.225 2.406 1.00 0.00 C ATOM 0 H THR A 30 -8.970 -3.917 3.346 1.00 0.00 H new ATOM 0 HA THR A 30 -6.833 -3.568 1.333 1.00 0.00 H new ATOM 0 HB THR A 30 -7.466 -5.610 0.389 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.444 -6.436 0.605 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.281 -7.289 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.122 -5.952 2.385 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.588 -6.009 3.392 1.00 0.00 H new ATOM 462 N ALA A 31 -8.308 -2.803 -0.512 1.00 0.00 N ATOM 463 CA ALA A 31 -9.118 -2.130 -1.516 1.00 0.00 C ATOM 464 C ALA A 31 -9.121 -2.935 -2.811 1.00 0.00 C ATOM 465 O ALA A 31 -8.596 -4.046 -2.859 1.00 0.00 O ATOM 466 CB ALA A 31 -8.596 -0.722 -1.765 1.00 0.00 C ATOM 0 H ALA A 31 -7.332 -2.931 -0.779 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.141 -2.055 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.213 -0.233 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.635 -0.150 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.566 -0.773 -2.117 1.00 0.00 H new ATOM 472 N LYS A 32 -9.715 -2.376 -3.858 1.00 0.00 N ATOM 473 CA LYS A 32 -9.777 -3.062 -5.146 1.00 0.00 C ATOM 474 C LYS A 32 -9.037 -2.279 -6.227 1.00 0.00 C ATOM 475 O LYS A 32 -8.624 -2.842 -7.242 1.00 0.00 O ATOM 476 CB LYS A 32 -11.233 -3.283 -5.571 1.00 0.00 C ATOM 477 CG LYS A 32 -12.198 -3.418 -4.405 1.00 0.00 C ATOM 478 CD LYS A 32 -13.645 -3.338 -4.867 1.00 0.00 C ATOM 479 CE LYS A 32 -14.111 -4.653 -5.471 1.00 0.00 C ATOM 480 NZ LYS A 32 -14.949 -4.441 -6.684 1.00 0.00 N ATOM 0 H LYS A 32 -10.158 -1.457 -3.843 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.289 -4.029 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.549 -2.449 -6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.290 -4.182 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.028 -4.369 -3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.003 -2.630 -3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.284 -3.078 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.749 -2.541 -5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.244 -5.261 -5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.681 -5.212 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.247 -5.362 -7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.789 -3.883 -6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.397 -3.931 -7.402 1.00 0.00 H new ATOM 494 N THR A 33 -8.872 -0.981 -6.007 1.00 0.00 N ATOM 495 CA THR A 33 -8.181 -0.125 -6.961 1.00 0.00 C ATOM 496 C THR A 33 -7.835 1.212 -6.320 1.00 0.00 C ATOM 497 O THR A 33 -8.332 1.540 -5.242 1.00 0.00 O ATOM 498 CB THR A 33 -9.046 0.096 -8.203 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.421 -0.025 -7.884 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.747 -0.877 -9.322 1.00 0.00 C ATOM 0 H THR A 33 -9.208 -0.498 -5.174 1.00 0.00 H new ATOM 0 HA THR A 33 -7.257 -0.619 -7.261 1.00 0.00 H new ATOM 0 HB THR A 33 -8.807 1.103 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.958 0.121 -8.691 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.395 -0.664 -10.172 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.705 -0.773 -9.626 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.925 -1.895 -8.976 1.00 0.00 H new ATOM 508 N LEU A 34 -6.983 1.984 -6.985 1.00 0.00 N ATOM 509 CA LEU A 34 -6.579 3.285 -6.470 1.00 0.00 C ATOM 510 C LEU A 34 -7.799 4.151 -6.176 1.00 0.00 C ATOM 511 O LEU A 34 -7.791 4.954 -5.244 1.00 0.00 O ATOM 512 CB LEU A 34 -5.651 3.984 -7.464 1.00 0.00 C ATOM 513 CG LEU A 34 -4.392 3.195 -7.829 1.00 0.00 C ATOM 514 CD1 LEU A 34 -3.864 3.626 -9.189 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.325 3.370 -6.756 1.00 0.00 C ATOM 0 H LEU A 34 -6.561 1.732 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.037 3.133 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.210 4.192 -8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.352 4.945 -7.046 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.652 2.138 -7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.969 3.053 -9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.625 3.446 -9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.620 4.688 -9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.436 2.802 -7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.068 4.426 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.706 3.007 -5.801 1.00 0.00 H new ATOM 527 N ARG A 35 -8.852 3.971 -6.967 1.00 0.00 N ATOM 528 CA ARG A 35 -10.083 4.727 -6.772 1.00 0.00 C ATOM 529 C ARG A 35 -10.735 4.331 -5.450 1.00 0.00 C ATOM 530 O ARG A 35 -11.132 5.188 -4.659 1.00 0.00 O ATOM 531 CB ARG A 35 -11.053 4.495 -7.932 1.00 0.00 C ATOM 532 CG ARG A 35 -11.235 3.031 -8.300 1.00 0.00 C ATOM 533 CD ARG A 35 -12.620 2.526 -7.922 1.00 0.00 C ATOM 534 NE ARG A 35 -13.196 1.677 -8.963 1.00 0.00 N ATOM 535 CZ ARG A 35 -13.771 2.148 -10.068 1.00 0.00 C ATOM 536 NH1 ARG A 35 -13.847 3.455 -10.281 1.00 0.00 N ATOM 537 NH2 ARG A 35 -14.273 1.307 -10.962 1.00 0.00 N ATOM 0 H ARG A 35 -8.878 3.312 -7.745 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.836 5.788 -6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.023 4.917 -7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.694 5.037 -8.807 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.080 2.903 -9.371 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.478 2.431 -7.794 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.559 1.965 -6.989 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.279 3.375 -7.741 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.155 0.666 -8.836 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.464 4.106 -9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.289 3.809 -11.130 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.218 0.301 -10.803 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.714 1.666 -11.809 1.00 0.00 H new ATOM 551 N GLU A 36 -10.827 3.025 -5.213 1.00 0.00 N ATOM 552 CA GLU A 36 -11.414 2.515 -3.981 1.00 0.00 C ATOM 553 C GLU A 36 -10.577 2.949 -2.785 1.00 0.00 C ATOM 554 O GLU A 36 -11.109 3.238 -1.712 1.00 0.00 O ATOM 555 CB GLU A 36 -11.519 0.988 -4.031 1.00 0.00 C ATOM 556 CG GLU A 36 -12.932 0.484 -4.276 1.00 0.00 C ATOM 557 CD GLU A 36 -13.638 0.080 -2.998 1.00 0.00 C ATOM 558 OE1 GLU A 36 -12.977 -0.503 -2.113 1.00 0.00 O ATOM 559 OE2 GLU A 36 -14.853 0.347 -2.880 1.00 0.00 O ATOM 0 H GLU A 36 -10.503 2.304 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.418 2.926 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.866 0.613 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.153 0.576 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.510 1.262 -4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.897 -0.370 -4.952 1.00 0.00 H new ATOM 566 N ALA A 37 -9.262 3.004 -2.980 1.00 0.00 N ATOM 567 CA ALA A 37 -8.355 3.417 -1.920 1.00 0.00 C ATOM 568 C ALA A 37 -8.619 4.864 -1.532 1.00 0.00 C ATOM 569 O ALA A 37 -8.888 5.162 -0.369 1.00 0.00 O ATOM 570 CB ALA A 37 -6.908 3.231 -2.355 1.00 0.00 C ATOM 0 H ALA A 37 -8.805 2.768 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.532 2.790 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.243 3.545 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.729 2.181 -2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.714 3.834 -3.242 1.00 0.00 H new ATOM 576 N GLU A 38 -8.549 5.762 -2.514 1.00 0.00 N ATOM 577 CA GLU A 38 -8.791 7.181 -2.271 1.00 0.00 C ATOM 578 C GLU A 38 -10.037 7.375 -1.417 1.00 0.00 C ATOM 579 O GLU A 38 -10.045 8.182 -0.487 1.00 0.00 O ATOM 580 CB GLU A 38 -8.941 7.932 -3.595 1.00 0.00 C ATOM 581 CG GLU A 38 -7.719 7.837 -4.492 1.00 0.00 C ATOM 582 CD GLU A 38 -8.070 7.913 -5.965 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.166 8.414 -6.289 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.249 7.468 -6.795 1.00 0.00 O ATOM 0 H GLU A 38 -8.327 5.532 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.934 7.585 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.805 7.538 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.147 8.982 -3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.028 8.643 -4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.199 6.900 -4.294 1.00 0.00 H new ATOM 591 N LYS A 39 -11.084 6.617 -1.727 1.00 0.00 N ATOM 592 CA LYS A 39 -12.326 6.696 -0.970 1.00 0.00 C ATOM 593 C LYS A 39 -12.058 6.389 0.499 1.00 0.00 C ATOM 594 O LYS A 39 -12.532 7.093 1.391 1.00 0.00 O ATOM 595 CB LYS A 39 -13.359 5.714 -1.533 1.00 0.00 C ATOM 596 CG LYS A 39 -14.636 5.631 -0.712 1.00 0.00 C ATOM 597 CD LYS A 39 -14.582 4.490 0.292 1.00 0.00 C ATOM 598 CE LYS A 39 -15.739 4.555 1.277 1.00 0.00 C ATOM 599 NZ LYS A 39 -15.272 4.834 2.664 1.00 0.00 N ATOM 0 H LYS A 39 -11.097 5.944 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.725 7.706 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.611 6.010 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.910 4.722 -1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.793 6.573 -0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.488 5.492 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.607 3.537 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.638 4.528 0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.438 5.332 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.284 3.611 1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.090 4.870 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.625 4.080 2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.774 5.747 2.686 1.00 0.00 H new ATOM 613 N LYS A 40 -11.291 5.329 0.739 1.00 0.00 N ATOM 614 CA LYS A 40 -10.949 4.921 2.095 1.00 0.00 C ATOM 615 C LYS A 40 -9.958 5.896 2.727 1.00 0.00 C ATOM 616 O LYS A 40 -10.086 6.254 3.898 1.00 0.00 O ATOM 617 CB LYS A 40 -10.359 3.513 2.087 1.00 0.00 C ATOM 618 CG LYS A 40 -11.409 2.414 2.114 1.00 0.00 C ATOM 619 CD LYS A 40 -12.007 2.248 3.502 1.00 0.00 C ATOM 620 CE LYS A 40 -13.164 1.261 3.495 1.00 0.00 C ATOM 621 NZ LYS A 40 -13.461 0.743 4.858 1.00 0.00 N ATOM 0 H LYS A 40 -10.895 4.737 0.009 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.862 4.925 2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.741 3.392 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.702 3.398 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.200 2.648 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.961 1.473 1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.237 1.903 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.354 3.214 3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.052 1.746 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.926 0.428 2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.256 0.074 4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.622 0.258 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.713 1.535 5.483 1.00 0.00 H new ATOM 635 N ILE A 41 -8.971 6.321 1.944 1.00 0.00 N ATOM 636 CA ILE A 41 -7.958 7.254 2.428 1.00 0.00 C ATOM 637 C ILE A 41 -8.535 8.655 2.616 1.00 0.00 C ATOM 638 O ILE A 41 -7.985 9.466 3.360 1.00 0.00 O ATOM 639 CB ILE A 41 -6.756 7.327 1.466 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.225 5.923 1.171 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.658 8.203 2.051 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.181 5.889 0.075 1.00 0.00 C ATOM 0 H ILE A 41 -8.851 6.035 0.972 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.620 6.876 3.393 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.088 7.774 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.797 5.506 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.058 5.280 0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.817 8.243 1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.043 9.210 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.326 7.784 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.850 4.862 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.611 6.275 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.330 6.505 0.364 1.00 0.00 H new ATOM 654 N LYS A 42 -9.646 8.933 1.939 1.00 0.00 N ATOM 655 CA LYS A 42 -10.292 10.236 2.039 1.00 0.00 C ATOM 656 C LYS A 42 -10.750 10.515 3.469 1.00 0.00 C ATOM 657 O LYS A 42 -10.963 11.667 3.847 1.00 0.00 O ATOM 658 CB LYS A 42 -11.479 10.312 1.083 1.00 0.00 C ATOM 659 CG LYS A 42 -11.278 11.298 -0.056 1.00 0.00 C ATOM 660 CD LYS A 42 -11.875 10.779 -1.355 1.00 0.00 C ATOM 661 CE LYS A 42 -11.409 11.597 -2.548 1.00 0.00 C ATOM 662 NZ LYS A 42 -12.440 11.654 -3.619 1.00 0.00 N ATOM 0 H LYS A 42 -10.116 8.275 1.317 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.562 10.997 1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.664 9.322 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.370 10.594 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.738 12.252 0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.213 11.485 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.592 9.736 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.963 10.809 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.168 12.609 -2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.493 11.164 -2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.083 12.221 -4.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.652 10.691 -3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.306 12.090 -3.244 1.00 0.00 H new ATOM 676 N GLU A 43 -10.900 9.456 4.260 1.00 0.00 N ATOM 677 CA GLU A 43 -11.332 9.591 5.644 1.00 0.00 C ATOM 678 C GLU A 43 -10.361 8.890 6.588 1.00 0.00 C ATOM 679 O GLU A 43 -9.828 9.503 7.513 1.00 0.00 O ATOM 680 CB GLU A 43 -12.739 9.014 5.820 1.00 0.00 C ATOM 681 CG GLU A 43 -13.764 9.609 4.868 1.00 0.00 C ATOM 682 CD GLU A 43 -15.159 9.062 5.099 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.417 7.907 4.702 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.994 9.790 5.677 1.00 0.00 O ATOM 0 H GLU A 43 -10.728 8.495 3.964 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.348 10.652 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.701 7.935 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.067 9.184 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.778 10.693 4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.463 9.404 3.841 1.00 0.00 H new ATOM 691 N LEU A 44 -10.136 7.603 6.349 1.00 0.00 N ATOM 692 CA LEU A 44 -9.229 6.818 7.178 1.00 0.00 C ATOM 693 C LEU A 44 -7.797 7.328 7.051 1.00 0.00 C ATOM 694 O LEU A 44 -7.197 7.262 5.978 1.00 0.00 O ATOM 695 CB LEU A 44 -9.299 5.339 6.787 1.00 0.00 C ATOM 696 CG LEU A 44 -9.897 4.416 7.849 1.00 0.00 C ATOM 697 CD1 LEU A 44 -9.076 4.472 9.128 1.00 0.00 C ATOM 698 CD2 LEU A 44 -11.344 4.793 8.127 1.00 0.00 C ATOM 0 H LEU A 44 -10.569 7.081 5.588 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.540 6.925 8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.888 5.248 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.292 4.993 6.552 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.874 3.394 7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.517 3.809 9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.054 4.155 8.919 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.068 5.493 9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.755 4.126 8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.390 5.821 8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.926 4.702 7.210 1.00 0.00 H new ATOM 710 N PHE A 45 -7.254 7.835 8.152 1.00 0.00 N ATOM 711 CA PHE A 45 -5.892 8.355 8.163 1.00 0.00 C ATOM 712 C PHE A 45 -4.876 7.217 8.132 1.00 0.00 C ATOM 713 O PHE A 45 -4.130 7.008 9.089 1.00 0.00 O ATOM 714 CB PHE A 45 -5.666 9.228 9.400 1.00 0.00 C ATOM 715 CG PHE A 45 -4.288 9.823 9.473 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.800 10.602 8.436 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.482 9.604 10.579 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.534 11.151 8.501 1.00 0.00 C ATOM 719 CE2 PHE A 45 -2.215 10.151 10.649 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.740 10.925 9.609 1.00 0.00 C ATOM 0 H PHE A 45 -7.736 7.897 9.049 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.754 8.964 7.270 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.401 10.033 9.405 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.842 8.630 10.294 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.416 10.782 7.567 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.848 8.999 11.395 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.165 11.756 7.686 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.597 9.973 11.517 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.750 11.353 9.661 1.00 0.00 H new ATOM 730 N PHE A 46 -4.853 6.482 7.025 1.00 0.00 N ATOM 731 CA PHE A 46 -3.929 5.364 6.869 1.00 0.00 C ATOM 732 C PHE A 46 -2.478 5.849 6.880 1.00 0.00 C ATOM 733 O PHE A 46 -2.119 6.759 6.134 1.00 0.00 O ATOM 734 CB PHE A 46 -4.208 4.618 5.563 1.00 0.00 C ATOM 735 CG PHE A 46 -5.363 3.661 5.642 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.235 2.452 6.307 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.576 3.966 5.044 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.295 1.567 6.376 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.638 3.085 5.109 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.497 1.885 5.776 1.00 0.00 C ATOM 0 H PHE A 46 -5.463 6.640 6.223 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.080 4.687 7.710 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.405 5.346 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.313 4.068 5.272 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.296 2.198 6.777 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.692 4.904 4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.183 0.628 6.898 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.577 3.335 4.638 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.326 1.195 5.829 1.00 0.00 H new ATOM 750 N PRO A 47 -1.617 5.241 7.719 1.00 0.00 N ATOM 751 CA PRO A 47 -0.210 5.613 7.802 1.00 0.00 C ATOM 752 C PRO A 47 0.625 4.949 6.712 1.00 0.00 C ATOM 753 O PRO A 47 1.654 5.477 6.293 1.00 0.00 O ATOM 754 CB PRO A 47 0.222 5.120 9.188 1.00 0.00 C ATOM 755 CG PRO A 47 -0.850 4.190 9.673 1.00 0.00 C ATOM 756 CD PRO A 47 -1.943 4.143 8.634 1.00 0.00 C ATOM 0 HA PRO A 47 -0.066 6.684 7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.182 4.607 9.134 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.346 5.958 9.874 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.441 3.193 9.839 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.248 4.534 10.627 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.959 3.184 8.116 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.926 4.278 9.084 1.00 0.00 H new ATOM 764 N VAL A 48 0.174 3.787 6.256 1.00 0.00 N ATOM 765 CA VAL A 48 0.874 3.049 5.215 1.00 0.00 C ATOM 766 C VAL A 48 -0.080 2.629 4.103 1.00 0.00 C ATOM 767 O VAL A 48 -1.214 2.225 4.361 1.00 0.00 O ATOM 768 CB VAL A 48 1.566 1.805 5.790 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.535 1.212 4.779 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.277 2.163 7.081 1.00 0.00 C ATOM 0 H VAL A 48 -0.676 3.335 6.593 1.00 0.00 H new ATOM 0 HA VAL A 48 1.630 3.716 4.800 1.00 0.00 H new ATOM 0 HB VAL A 48 0.811 1.049 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.014 0.332 5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.992 0.927 3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.295 1.952 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.766 1.277 7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.024 2.932 6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.552 2.538 7.804 1.00 0.00 H new ATOM 780 N ILE A 49 0.389 2.729 2.865 1.00 0.00 N ATOM 781 CA ILE A 49 -0.420 2.363 1.708 1.00 0.00 C ATOM 782 C ILE A 49 0.419 1.613 0.678 1.00 0.00 C ATOM 783 O ILE A 49 1.275 2.205 0.021 1.00 0.00 O ATOM 784 CB ILE A 49 -1.033 3.604 1.023 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.276 4.729 2.034 1.00 0.00 C ATOM 786 CG2 ILE A 49 -2.331 3.231 0.321 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.339 4.407 3.061 1.00 0.00 C ATOM 0 H ILE A 49 1.326 3.061 2.636 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.223 1.725 2.077 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.323 3.967 0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.341 4.950 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.565 5.632 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.753 4.115 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.131 2.470 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.040 2.840 1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.455 5.250 3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.286 4.215 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.043 3.523 3.626 1.00 0.00 H new ATOM 799 N VAL A 50 0.182 0.312 0.534 1.00 0.00 N ATOM 800 CA VAL A 50 0.930 -0.492 -0.422 1.00 0.00 C ATOM 801 C VAL A 50 0.031 -0.935 -1.573 1.00 0.00 C ATOM 802 O VAL A 50 -1.142 -1.250 -1.371 1.00 0.00 O ATOM 803 CB VAL A 50 1.535 -1.736 0.256 1.00 0.00 C ATOM 804 CG1 VAL A 50 2.403 -2.513 -0.719 1.00 0.00 C ATOM 805 CG2 VAL A 50 2.330 -1.335 1.489 1.00 0.00 C ATOM 0 H VAL A 50 -0.519 -0.204 1.065 1.00 0.00 H new ATOM 0 HA VAL A 50 1.737 0.128 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 50 0.719 -2.387 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.820 -3.387 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.799 -2.834 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.214 -1.876 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.751 -2.225 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.137 -0.662 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.673 -0.830 2.197 1.00 0.00 H new ATOM 815 N LEU A 51 0.586 -0.954 -2.780 1.00 0.00 N ATOM 816 CA LEU A 51 -0.171 -1.356 -3.960 1.00 0.00 C ATOM 817 C LEU A 51 0.160 -2.789 -4.366 1.00 0.00 C ATOM 818 O LEU A 51 1.200 -3.330 -3.993 1.00 0.00 O ATOM 819 CB LEU A 51 0.117 -0.404 -5.124 1.00 0.00 C ATOM 820 CG LEU A 51 -0.857 -0.498 -6.300 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.257 -0.089 -5.871 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.377 0.367 -7.455 1.00 0.00 C ATOM 0 H LEU A 51 1.555 -0.696 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.231 -1.308 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.108 0.619 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.125 -0.599 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.893 -1.534 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.934 -0.163 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.601 -0.749 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.241 0.939 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.080 0.290 -8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.312 1.405 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.606 0.027 -7.780 1.00 0.00 H new ATOM 834 N ASP A 52 -0.737 -3.391 -5.136 1.00 0.00 N ATOM 835 CA ASP A 52 -0.560 -4.760 -5.608 1.00 0.00 C ATOM 836 C ASP A 52 -1.067 -4.895 -7.038 1.00 0.00 C ATOM 837 O ASP A 52 -2.178 -5.368 -7.273 1.00 0.00 O ATOM 838 CB ASP A 52 -1.298 -5.740 -4.695 1.00 0.00 C ATOM 839 CG ASP A 52 -0.766 -7.155 -4.816 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.894 -7.745 -5.910 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.224 -7.673 -3.819 1.00 0.00 O ATOM 0 H ASP A 52 -1.601 -2.949 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 52 0.504 -4.997 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.207 -5.408 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.360 -5.732 -4.940 1.00 0.00 H new ATOM 846 N VAL A 53 -0.244 -4.464 -7.986 1.00 0.00 N ATOM 847 CA VAL A 53 -0.600 -4.518 -9.399 1.00 0.00 C ATOM 848 C VAL A 53 -0.729 -5.959 -9.894 1.00 0.00 C ATOM 849 O VAL A 53 0.072 -6.421 -10.707 1.00 0.00 O ATOM 850 CB VAL A 53 0.442 -3.776 -10.261 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.018 -3.759 -11.721 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.649 -2.360 -9.744 1.00 0.00 C ATOM 0 H VAL A 53 0.679 -4.071 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.568 -4.026 -9.499 1.00 0.00 H new ATOM 0 HB VAL A 53 1.390 -4.310 -10.190 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.767 -3.231 -12.311 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.075 -4.782 -12.085 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.942 -3.252 -11.815 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.387 -1.851 -10.364 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.295 -1.817 -9.784 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.003 -2.397 -8.714 1.00 0.00 H new ATOM 862 N TRP A 54 -1.751 -6.660 -9.409 1.00 0.00 N ATOM 863 CA TRP A 54 -1.990 -8.040 -9.818 1.00 0.00 C ATOM 864 C TRP A 54 -2.427 -8.081 -11.281 1.00 0.00 C ATOM 865 O TRP A 54 -1.622 -8.354 -12.171 1.00 0.00 O ATOM 866 CB TRP A 54 -3.053 -8.683 -8.921 1.00 0.00 C ATOM 867 CG TRP A 54 -3.446 -10.064 -9.353 1.00 0.00 C ATOM 868 CD1 TRP A 54 -4.712 -10.522 -9.576 1.00 0.00 C ATOM 869 CD2 TRP A 54 -2.568 -11.164 -9.610 1.00 0.00 C ATOM 870 NE1 TRP A 54 -4.674 -11.841 -9.959 1.00 0.00 N ATOM 871 CE2 TRP A 54 -3.370 -12.259 -9.986 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.181 -11.331 -9.559 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -2.830 -13.501 -10.309 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -0.646 -12.564 -9.880 1.00 0.00 C ATOM 875 CH2 TRP A 54 -1.470 -13.635 -10.251 1.00 0.00 C ATOM 0 H TRP A 54 -2.424 -6.296 -8.735 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.065 -8.606 -9.714 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.677 -8.724 -7.899 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.939 -8.049 -8.910 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.611 -9.934 -9.467 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.485 -12.416 -10.186 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.539 -10.511 -9.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.462 -14.329 -10.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.424 -12.704 -9.844 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.022 -14.586 -10.496 1.00 0.00 H new ATOM 886 N MET A 55 -3.701 -7.787 -11.523 1.00 0.00 N ATOM 887 CA MET A 55 -4.235 -7.767 -12.877 1.00 0.00 C ATOM 888 C MET A 55 -5.282 -6.659 -13.057 1.00 0.00 C ATOM 889 O MET A 55 -6.305 -6.874 -13.708 1.00 0.00 O ATOM 890 CB MET A 55 -4.849 -9.126 -13.222 1.00 0.00 C ATOM 891 CG MET A 55 -6.098 -9.452 -12.418 1.00 0.00 C ATOM 892 SD MET A 55 -6.614 -11.170 -12.601 1.00 0.00 S ATOM 893 CE MET A 55 -7.609 -11.382 -11.128 1.00 0.00 C ATOM 0 H MET A 55 -4.381 -7.560 -10.798 1.00 0.00 H new ATOM 0 HA MET A 55 -3.408 -7.559 -13.556 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.095 -9.145 -14.284 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.105 -9.905 -13.053 1.00 0.00 H new ATOM 0 HG2 MET A 55 -5.912 -9.243 -11.365 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.910 -8.797 -12.734 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.382 -12.345 -10.671 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.386 -10.583 -10.420 1.00 0.00 H new ATOM 0 HE3 MET A 55 -8.665 -11.347 -11.394 1.00 0.00 H new ATOM 903 N PRO A 56 -5.055 -5.454 -12.485 1.00 0.00 N ATOM 904 CA PRO A 56 -5.978 -4.338 -12.589 1.00 0.00 C ATOM 905 C PRO A 56 -5.554 -3.337 -13.660 1.00 0.00 C ATOM 906 O PRO A 56 -4.734 -3.648 -14.524 1.00 0.00 O ATOM 907 CB PRO A 56 -5.866 -3.708 -11.200 1.00 0.00 C ATOM 908 CG PRO A 56 -4.495 -4.077 -10.696 1.00 0.00 C ATOM 909 CD PRO A 56 -3.895 -5.055 -11.682 1.00 0.00 C ATOM 0 HA PRO A 56 -6.985 -4.643 -12.873 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.987 -2.626 -11.250 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.643 -4.085 -10.535 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.868 -3.190 -10.606 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.559 -4.524 -9.704 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.120 -4.591 -12.292 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.437 -5.907 -11.180 1.00 0.00 H new ATOM 917 N ASP A 57 -6.109 -2.131 -13.590 1.00 0.00 N ATOM 918 CA ASP A 57 -5.776 -1.081 -14.544 1.00 0.00 C ATOM 919 C ASP A 57 -4.618 -0.235 -14.023 1.00 0.00 C ATOM 920 O ASP A 57 -3.658 0.037 -14.744 1.00 0.00 O ATOM 921 CB ASP A 57 -6.994 -0.195 -14.808 1.00 0.00 C ATOM 922 CG ASP A 57 -6.716 0.877 -15.843 1.00 0.00 C ATOM 923 OD1 ASP A 57 -6.749 0.561 -17.050 1.00 0.00 O ATOM 924 OD2 ASP A 57 -6.467 2.035 -15.445 1.00 0.00 O ATOM 0 H ASP A 57 -6.791 -1.858 -12.883 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.474 -1.551 -15.480 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.825 -0.815 -15.145 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.306 0.276 -13.876 1.00 0.00 H new ATOM 929 N GLY A 58 -4.715 0.171 -12.759 1.00 0.00 N ATOM 930 CA GLY A 58 -3.673 0.975 -12.148 1.00 0.00 C ATOM 931 C GLY A 58 -3.314 2.200 -12.965 1.00 0.00 C ATOM 932 O GLY A 58 -4.168 3.043 -13.241 1.00 0.00 O ATOM 0 H GLY A 58 -5.501 -0.045 -12.146 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.999 1.289 -11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.782 0.362 -12.012 1.00 0.00 H new ATOM 936 N ASP A 59 -2.046 2.301 -13.348 1.00 0.00 N ATOM 937 CA ASP A 59 -1.571 3.432 -14.134 1.00 0.00 C ATOM 938 C ASP A 59 -1.742 4.735 -13.361 1.00 0.00 C ATOM 939 O ASP A 59 -1.964 5.795 -13.947 1.00 0.00 O ATOM 940 CB ASP A 59 -2.321 3.511 -15.465 1.00 0.00 C ATOM 941 CG ASP A 59 -1.690 2.645 -16.538 1.00 0.00 C ATOM 942 OD1 ASP A 59 -1.903 1.414 -16.509 1.00 0.00 O ATOM 943 OD2 ASP A 59 -0.983 3.197 -17.406 1.00 0.00 O ATOM 0 H ASP A 59 -1.328 1.611 -13.126 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.510 3.284 -14.336 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.355 3.202 -15.315 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.344 4.546 -15.805 1.00 0.00 H new ATOM 948 N GLY A 60 -1.639 4.647 -12.038 1.00 0.00 N ATOM 949 CA GLY A 60 -1.785 5.823 -11.201 1.00 0.00 C ATOM 950 C GLY A 60 -0.453 6.460 -10.857 1.00 0.00 C ATOM 951 O GLY A 60 -0.097 6.579 -9.684 1.00 0.00 O ATOM 0 H GLY A 60 -1.457 3.781 -11.531 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.412 6.553 -11.712 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.301 5.548 -10.281 1.00 0.00 H new ATOM 955 N VAL A 61 0.285 6.874 -11.883 1.00 0.00 N ATOM 956 CA VAL A 61 1.581 7.502 -11.692 1.00 0.00 C ATOM 957 C VAL A 61 1.472 8.725 -10.787 1.00 0.00 C ATOM 958 O VAL A 61 2.352 8.984 -9.967 1.00 0.00 O ATOM 959 CB VAL A 61 2.183 7.926 -13.043 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.540 8.568 -12.845 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.281 6.733 -13.982 1.00 0.00 C ATOM 0 H VAL A 61 0.002 6.783 -12.859 1.00 0.00 H new ATOM 0 HA VAL A 61 2.232 6.768 -11.218 1.00 0.00 H new ATOM 0 HB VAL A 61 1.522 8.664 -13.498 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.949 8.861 -13.812 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.437 9.450 -12.213 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.213 7.856 -12.367 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.709 7.052 -14.932 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.918 5.970 -13.535 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.286 6.321 -14.152 1.00 0.00 H new ATOM 971 N ASN A 62 0.389 9.475 -10.945 1.00 0.00 N ATOM 972 CA ASN A 62 0.164 10.674 -10.146 1.00 0.00 C ATOM 973 C ASN A 62 -0.606 10.355 -8.864 1.00 0.00 C ATOM 974 O ASN A 62 -1.138 11.257 -8.215 1.00 0.00 O ATOM 975 CB ASN A 62 -0.594 11.721 -10.966 1.00 0.00 C ATOM 976 CG ASN A 62 0.253 12.943 -11.267 1.00 0.00 C ATOM 977 OD1 ASN A 62 0.286 13.896 -10.490 1.00 0.00 O ATOM 978 ND2 ASN A 62 0.941 12.921 -12.402 1.00 0.00 N ATOM 0 H ASN A 62 -0.349 9.274 -11.620 1.00 0.00 H new ATOM 0 HA ASN A 62 1.138 11.074 -9.863 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.927 11.274 -11.902 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.488 12.027 -10.423 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.526 13.716 -12.659 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.884 12.109 -13.017 1.00 0.00 H new ATOM 985 N PHE A 63 -0.665 9.076 -8.497 1.00 0.00 N ATOM 986 CA PHE A 63 -1.372 8.668 -7.288 1.00 0.00 C ATOM 987 C PHE A 63 -0.516 8.919 -6.051 1.00 0.00 C ATOM 988 O PHE A 63 -1.023 9.328 -5.005 1.00 0.00 O ATOM 989 CB PHE A 63 -1.761 7.189 -7.358 1.00 0.00 C ATOM 990 CG PHE A 63 -2.486 6.712 -6.131 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.683 7.298 -5.752 1.00 0.00 C ATOM 992 CD2 PHE A 63 -1.966 5.692 -5.352 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.350 6.873 -4.620 1.00 0.00 C ATOM 994 CE2 PHE A 63 -2.628 5.263 -4.216 1.00 0.00 C ATOM 995 CZ PHE A 63 -3.823 5.856 -3.850 1.00 0.00 C ATOM 0 H PHE A 63 -0.235 8.311 -9.016 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.280 9.266 -7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.392 7.026 -8.232 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.862 6.589 -7.498 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.099 8.096 -6.349 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.033 5.226 -5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.284 7.336 -4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.213 4.467 -3.616 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.343 5.524 -2.963 1.00 0.00 H new ATOM 1005 N ILE A 64 0.785 8.673 -6.177 1.00 0.00 N ATOM 1006 CA ILE A 64 1.714 8.874 -5.070 1.00 0.00 C ATOM 1007 C ILE A 64 1.509 10.243 -4.425 1.00 0.00 C ATOM 1008 O ILE A 64 1.762 10.424 -3.235 1.00 0.00 O ATOM 1009 CB ILE A 64 3.180 8.743 -5.533 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.403 7.389 -6.212 1.00 0.00 C ATOM 1011 CG2 ILE A 64 4.129 8.913 -4.354 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.543 7.480 -7.716 1.00 0.00 C ATOM 0 H ILE A 64 1.220 8.334 -7.035 1.00 0.00 H new ATOM 0 HA ILE A 64 1.507 8.096 -4.335 1.00 0.00 H new ATOM 0 HB ILE A 64 3.388 9.532 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.301 6.929 -5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.568 6.730 -5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.159 8.818 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.985 9.898 -3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.924 8.145 -3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.698 6.483 -8.128 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.636 7.911 -8.140 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.396 8.112 -7.964 1.00 0.00 H new ATOM 1024 N ASP A 65 1.041 11.200 -5.219 1.00 0.00 N ATOM 1025 CA ASP A 65 0.792 12.547 -4.724 1.00 0.00 C ATOM 1026 C ASP A 65 -0.478 12.582 -3.885 1.00 0.00 C ATOM 1027 O ASP A 65 -0.543 13.276 -2.872 1.00 0.00 O ATOM 1028 CB ASP A 65 0.681 13.533 -5.888 1.00 0.00 C ATOM 1029 CG ASP A 65 1.269 14.890 -5.554 1.00 0.00 C ATOM 1030 OD1 ASP A 65 2.495 14.967 -5.325 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.504 15.877 -5.520 1.00 0.00 O ATOM 0 H ASP A 65 0.827 11.067 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 65 1.633 12.841 -4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.193 13.123 -6.758 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.367 13.652 -6.161 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.484 11.820 -4.307 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.749 11.758 -3.586 1.00 0.00 C ATOM 1038 C PHE A 66 -2.516 11.308 -2.147 1.00 0.00 C ATOM 1039 O PHE A 66 -3.063 11.885 -1.207 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.715 10.799 -4.290 1.00 0.00 C ATOM 1041 CG PHE A 66 -4.961 10.501 -3.502 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -4.951 9.540 -2.504 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.138 11.184 -3.758 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.093 9.264 -1.777 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.285 10.913 -3.034 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.261 9.952 -2.043 1.00 0.00 C ATOM 0 H PHE A 66 -1.446 11.238 -5.144 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.192 12.754 -3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.999 11.226 -5.252 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.196 9.863 -4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.040 9.000 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.161 11.937 -4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.073 8.512 -1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.197 11.452 -3.243 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.155 9.738 -1.476 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.691 10.279 -1.984 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.377 9.758 -0.662 1.00 0.00 C ATOM 1058 C ILE A 67 -0.746 10.847 0.202 1.00 0.00 C ATOM 1059 O ILE A 67 -1.074 10.989 1.380 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.426 8.544 -0.745 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.106 7.386 -1.479 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.013 8.103 0.647 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -0.928 7.428 -2.981 1.00 0.00 C ATOM 0 H ILE A 67 -1.229 9.791 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.312 9.430 -0.207 1.00 0.00 H new ATOM 0 HB ILE A 67 0.461 8.842 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.708 6.444 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.171 7.397 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.682 7.247 0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.534 8.923 1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.862 7.823 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.437 6.576 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.352 8.353 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.134 7.385 -3.223 1.00 0.00 H new ATOM 1075 N LYS A 68 0.151 11.624 -0.398 1.00 0.00 N ATOM 1076 CA LYS A 68 0.814 12.709 0.315 1.00 0.00 C ATOM 1077 C LYS A 68 -0.115 13.912 0.443 1.00 0.00 C ATOM 1078 O LYS A 68 0.028 14.727 1.355 1.00 0.00 O ATOM 1079 CB LYS A 68 2.099 13.114 -0.408 1.00 0.00 C ATOM 1080 CG LYS A 68 3.080 11.968 -0.595 1.00 0.00 C ATOM 1081 CD LYS A 68 4.174 11.993 0.462 1.00 0.00 C ATOM 1082 CE LYS A 68 4.946 10.685 0.496 1.00 0.00 C ATOM 1083 NZ LYS A 68 4.436 9.766 1.551 1.00 0.00 N ATOM 0 H LYS A 68 0.434 11.523 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 68 1.068 12.357 1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.842 13.524 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.587 13.910 0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.546 11.019 -0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.529 12.030 -1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.859 12.816 0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.732 12.181 1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.875 10.197 -0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.002 10.891 0.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.443 8.789 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.044 9.831 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.464 10.035 1.805 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.073 14.013 -0.476 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.031 15.111 -0.469 1.00 0.00 C ATOM 1099 C GLU A 69 -2.915 15.048 0.772 1.00 0.00 C ATOM 1100 O GLU A 69 -3.207 16.069 1.394 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.896 15.064 -1.727 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.658 16.353 -1.991 1.00 0.00 C ATOM 1103 CD GLU A 69 -5.103 16.109 -2.375 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.357 15.781 -3.553 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.982 16.244 -1.498 1.00 0.00 O ATOM 0 H GLU A 69 -1.205 13.345 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.476 16.049 -0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.262 14.844 -2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.607 14.243 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.624 16.980 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.163 16.906 -2.789 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.339 13.839 1.124 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.193 13.633 2.290 1.00 0.00 C ATOM 1114 C ASN A 70 -3.500 12.755 3.332 1.00 0.00 C ATOM 1115 O ASN A 70 -4.136 12.277 4.271 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.521 12.998 1.871 1.00 0.00 C ATOM 1117 CG ASN A 70 -6.028 13.537 0.546 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -6.989 14.305 0.502 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.381 13.134 -0.542 1.00 0.00 N ATOM 0 H ASN A 70 -3.105 12.985 0.618 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.389 14.607 2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.397 11.918 1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.268 13.181 2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.676 13.462 -1.462 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.589 12.496 -0.458 1.00 0.00 H new ATOM 1126 N SER A 71 -2.196 12.548 3.162 1.00 0.00 N ATOM 1127 CA SER A 71 -1.426 11.730 4.091 1.00 0.00 C ATOM 1128 C SER A 71 0.073 11.939 3.879 1.00 0.00 C ATOM 1129 O SER A 71 0.779 11.036 3.427 1.00 0.00 O ATOM 1130 CB SER A 71 -1.785 10.251 3.920 1.00 0.00 C ATOM 1131 OG SER A 71 -2.599 9.798 4.987 1.00 0.00 O ATOM 0 H SER A 71 -1.653 12.935 2.390 1.00 0.00 H new ATOM 0 HA SER A 71 -1.676 12.036 5.107 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.307 10.107 2.974 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.873 9.655 3.875 1.00 0.00 H new ATOM 0 HG SER A 71 -3.353 10.412 5.106 1.00 0.00 H new ATOM 1137 N PRO A 72 0.580 13.140 4.205 1.00 0.00 N ATOM 1138 CA PRO A 72 1.999 13.470 4.051 1.00 0.00 C ATOM 1139 C PRO A 72 2.877 12.688 5.015 1.00 0.00 C ATOM 1140 O PRO A 72 4.081 12.541 4.805 1.00 0.00 O ATOM 1141 CB PRO A 72 2.071 14.973 4.361 1.00 0.00 C ATOM 1142 CG PRO A 72 0.656 15.451 4.368 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.185 14.269 4.749 1.00 0.00 C ATOM 0 HA PRO A 72 2.363 13.217 3.055 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.550 15.152 5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.659 15.500 3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.525 16.267 5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.369 15.833 3.388 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.309 14.191 5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.184 14.327 4.317 1.00 0.00 H new ATOM 1151 N ASP A 73 2.258 12.192 6.071 1.00 0.00 N ATOM 1152 CA ASP A 73 2.964 11.419 7.085 1.00 0.00 C ATOM 1153 C ASP A 73 2.677 9.928 6.933 1.00 0.00 C ATOM 1154 O ASP A 73 2.707 9.178 7.909 1.00 0.00 O ATOM 1155 CB ASP A 73 2.566 11.889 8.480 1.00 0.00 C ATOM 1156 CG ASP A 73 3.767 12.230 9.341 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.470 11.294 9.776 1.00 0.00 O ATOM 1158 OD2 ASP A 73 4.003 13.433 9.580 1.00 0.00 O ATOM 0 H ASP A 73 1.261 12.310 6.252 1.00 0.00 H new ATOM 0 HA ASP A 73 4.034 11.578 6.948 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.923 12.765 8.395 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.981 11.110 8.969 1.00 0.00 H new ATOM 1163 N SER A 74 2.398 9.504 5.703 1.00 0.00 N ATOM 1164 CA SER A 74 2.107 8.102 5.428 1.00 0.00 C ATOM 1165 C SER A 74 3.215 7.468 4.592 1.00 0.00 C ATOM 1166 O SER A 74 4.225 8.108 4.299 1.00 0.00 O ATOM 1167 CB SER A 74 0.765 7.970 4.704 1.00 0.00 C ATOM 1168 OG SER A 74 0.473 6.616 4.413 1.00 0.00 O ATOM 0 H SER A 74 2.368 10.111 4.883 1.00 0.00 H new ATOM 0 HA SER A 74 2.051 7.576 6.381 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.028 8.391 5.322 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.789 8.547 3.779 1.00 0.00 H new ATOM 0 HG SER A 74 -0.452 6.541 4.099 1.00 0.00 H new ATOM 1174 N VAL A 75 3.021 6.208 4.213 1.00 0.00 N ATOM 1175 CA VAL A 75 4.008 5.494 3.413 1.00 0.00 C ATOM 1176 C VAL A 75 3.377 4.914 2.150 1.00 0.00 C ATOM 1177 O VAL A 75 2.232 4.467 2.165 1.00 0.00 O ATOM 1178 CB VAL A 75 4.671 4.358 4.221 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.751 3.669 3.397 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.246 4.901 5.521 1.00 0.00 C ATOM 0 H VAL A 75 2.191 5.663 4.447 1.00 0.00 H new ATOM 0 HA VAL A 75 4.772 6.218 3.130 1.00 0.00 H new ATOM 0 HB VAL A 75 3.910 3.617 4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.205 2.872 3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.307 3.246 2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.515 4.395 3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.710 4.089 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.994 5.662 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.446 5.341 6.117 1.00 0.00 H new ATOM 1190 N VAL A 76 4.135 4.926 1.058 1.00 0.00 N ATOM 1191 CA VAL A 76 3.655 4.399 -0.216 1.00 0.00 C ATOM 1192 C VAL A 76 4.635 3.379 -0.781 1.00 0.00 C ATOM 1193 O VAL A 76 5.612 3.740 -1.434 1.00 0.00 O ATOM 1194 CB VAL A 76 3.449 5.521 -1.255 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.571 5.036 -2.397 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.851 6.758 -0.602 1.00 0.00 C ATOM 0 H VAL A 76 5.085 5.295 1.029 1.00 0.00 H new ATOM 0 HA VAL A 76 2.696 3.920 -0.020 1.00 0.00 H new ATOM 0 HB VAL A 76 4.423 5.792 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.437 5.841 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.046 4.185 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.599 4.734 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.715 7.536 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.887 6.506 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.523 7.119 0.177 1.00 0.00 H new ATOM 1206 N ILE A 77 4.372 2.103 -0.523 1.00 0.00 N ATOM 1207 CA ILE A 77 5.241 1.035 -1.004 1.00 0.00 C ATOM 1208 C ILE A 77 5.069 0.807 -2.503 1.00 0.00 C ATOM 1209 O ILE A 77 5.990 1.043 -3.284 1.00 0.00 O ATOM 1210 CB ILE A 77 4.975 -0.285 -0.253 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.117 -0.076 1.256 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.925 -1.376 -0.730 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.482 0.433 1.670 1.00 0.00 C ATOM 0 H ILE A 77 3.567 1.783 0.015 1.00 0.00 H new ATOM 0 HA ILE A 77 6.266 1.353 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 77 3.954 -0.602 -0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.358 0.631 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.920 -1.019 1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.721 -2.299 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.781 -1.543 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.954 -1.068 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.511 0.558 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.245 -0.284 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.674 1.392 1.189 1.00 0.00 H new ATOM 1225 N VAL A 78 3.887 0.345 -2.899 1.00 0.00 N ATOM 1226 CA VAL A 78 3.602 0.084 -4.306 1.00 0.00 C ATOM 1227 C VAL A 78 4.429 -1.090 -4.820 1.00 0.00 C ATOM 1228 O VAL A 78 5.532 -0.910 -5.334 1.00 0.00 O ATOM 1229 CB VAL A 78 3.885 1.320 -5.185 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.309 1.128 -6.579 1.00 0.00 C ATOM 1231 CG2 VAL A 78 3.324 2.577 -4.537 1.00 0.00 C ATOM 0 H VAL A 78 3.112 0.144 -2.267 1.00 0.00 H new ATOM 0 HA VAL A 78 2.541 -0.158 -4.372 1.00 0.00 H new ATOM 0 HB VAL A 78 4.965 1.437 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.519 2.010 -7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.764 0.253 -7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.231 0.983 -6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.533 3.438 -5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.246 2.472 -4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.790 2.723 -3.562 1.00 0.00 H new ATOM 1241 N ILE A 79 3.885 -2.293 -4.674 1.00 0.00 N ATOM 1242 CA ILE A 79 4.568 -3.504 -5.116 1.00 0.00 C ATOM 1243 C ILE A 79 3.917 -4.055 -6.382 1.00 0.00 C ATOM 1244 O ILE A 79 2.902 -3.533 -6.843 1.00 0.00 O ATOM 1245 CB ILE A 79 4.547 -4.598 -4.021 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.525 -3.968 -2.629 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.748 -5.520 -4.156 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.283 -4.965 -1.517 1.00 0.00 C ATOM 0 H ILE A 79 2.971 -2.456 -4.252 1.00 0.00 H new ATOM 0 HA ILE A 79 5.603 -3.233 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 79 3.640 -5.187 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.475 -3.463 -2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.748 -3.205 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.712 -6.281 -3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.729 -6.001 -5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.665 -4.940 -4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.280 -4.447 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.320 -5.453 -1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.074 -5.715 -1.522 1.00 0.00 H new ATOM 1260 N THR A 80 4.501 -5.112 -6.941 1.00 0.00 N ATOM 1261 CA THR A 80 3.973 -5.732 -8.154 1.00 0.00 C ATOM 1262 C THR A 80 4.223 -4.847 -9.370 1.00 0.00 C ATOM 1263 O THR A 80 3.790 -3.696 -9.414 1.00 0.00 O ATOM 1264 CB THR A 80 2.471 -6.007 -8.007 1.00 0.00 C ATOM 1265 OG1 THR A 80 2.084 -5.974 -6.647 1.00 0.00 O ATOM 1266 CG2 THR A 80 2.049 -7.348 -8.561 1.00 0.00 C ATOM 0 H THR A 80 5.341 -5.558 -6.573 1.00 0.00 H new ATOM 0 HA THR A 80 4.493 -6.678 -8.301 1.00 0.00 H new ATOM 0 HB THR A 80 1.981 -5.220 -8.581 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.335 -6.590 -6.505 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.975 -7.477 -8.424 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.287 -7.394 -9.624 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.580 -8.142 -8.036 1.00 0.00 H new ATOM 1274 N GLY A 81 4.926 -5.393 -10.357 1.00 0.00 N ATOM 1275 CA GLY A 81 5.224 -4.642 -11.562 1.00 0.00 C ATOM 1276 C GLY A 81 5.887 -5.494 -12.627 1.00 0.00 C ATOM 1277 O GLY A 81 6.598 -6.448 -12.312 1.00 0.00 O ATOM 0 H GLY A 81 5.295 -6.344 -10.343 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.302 -4.220 -11.961 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.876 -3.805 -11.313 1.00 0.00 H new ATOM 1281 N HIS A 82 5.654 -5.148 -13.888 1.00 0.00 N ATOM 1282 CA HIS A 82 6.235 -5.890 -15.002 1.00 0.00 C ATOM 1283 C HIS A 82 6.938 -4.950 -15.976 1.00 0.00 C ATOM 1284 O HIS A 82 6.993 -3.740 -15.757 1.00 0.00 O ATOM 1285 CB HIS A 82 5.151 -6.684 -15.733 1.00 0.00 C ATOM 1286 CG HIS A 82 4.710 -7.911 -14.997 1.00 0.00 C ATOM 1287 ND1 HIS A 82 5.577 -8.720 -14.294 1.00 0.00 N ATOM 1288 CD2 HIS A 82 3.482 -8.465 -14.857 1.00 0.00 C ATOM 1289 CE1 HIS A 82 4.903 -9.721 -13.754 1.00 0.00 C ATOM 1290 NE2 HIS A 82 3.632 -9.589 -14.080 1.00 0.00 N ATOM 0 H HIS A 82 5.068 -4.360 -14.165 1.00 0.00 H new ATOM 0 HA HIS A 82 6.974 -6.583 -14.598 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.288 -6.039 -15.897 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.524 -6.974 -16.715 1.00 0.00 H new ATOM 0 HD2 HIS A 82 2.559 -8.094 -15.277 1.00 0.00 H new ATOM 0 HE1 HIS A 82 5.322 -10.512 -13.149 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.881 -10.220 -13.800 1.00 0.00 H new ATOM 1299 N GLY A 83 7.473 -5.516 -17.053 1.00 0.00 N ATOM 1300 CA GLY A 83 8.166 -4.715 -18.045 1.00 0.00 C ATOM 1301 C GLY A 83 9.633 -4.524 -17.715 1.00 0.00 C ATOM 1302 O GLY A 83 10.300 -5.453 -17.259 1.00 0.00 O ATOM 0 H GLY A 83 7.439 -6.515 -17.256 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.076 -5.193 -19.021 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.684 -3.740 -18.121 1.00 0.00 H new ATOM 1306 N SER A 84 10.137 -3.316 -17.946 1.00 0.00 N ATOM 1307 CA SER A 84 11.534 -3.006 -17.670 1.00 0.00 C ATOM 1308 C SER A 84 11.680 -2.300 -16.325 1.00 0.00 C ATOM 1309 O SER A 84 12.594 -1.500 -16.129 1.00 0.00 O ATOM 1310 CB SER A 84 12.113 -2.130 -18.783 1.00 0.00 C ATOM 1311 OG SER A 84 12.103 -2.810 -20.026 1.00 0.00 O ATOM 0 H SER A 84 9.598 -2.536 -18.324 1.00 0.00 H new ATOM 0 HA SER A 84 12.087 -3.944 -17.630 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.534 -1.210 -18.864 1.00 0.00 H new ATOM 0 HB3 SER A 84 13.134 -1.843 -18.530 1.00 0.00 H new ATOM 0 HG SER A 84 12.476 -2.228 -20.720 1.00 0.00 H new ATOM 1317 N VAL A 85 10.771 -2.602 -15.402 1.00 0.00 N ATOM 1318 CA VAL A 85 10.799 -1.997 -14.076 1.00 0.00 C ATOM 1319 C VAL A 85 10.716 -0.477 -14.165 1.00 0.00 C ATOM 1320 O VAL A 85 11.252 0.236 -13.316 1.00 0.00 O ATOM 1321 CB VAL A 85 12.076 -2.386 -13.306 1.00 0.00 C ATOM 1322 CG1 VAL A 85 11.970 -1.965 -11.849 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.335 -3.882 -13.420 1.00 0.00 C ATOM 0 H VAL A 85 10.007 -3.262 -15.549 1.00 0.00 H new ATOM 0 HA VAL A 85 9.930 -2.376 -13.537 1.00 0.00 H new ATOM 0 HB VAL A 85 12.921 -1.860 -13.751 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.881 -2.248 -11.321 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.838 -0.885 -11.791 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.115 -2.460 -11.388 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.241 -4.137 -12.870 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.490 -4.430 -13.003 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.460 -4.151 -14.469 1.00 0.00 H new ATOM 1333 N ASP A 86 10.042 0.015 -15.200 1.00 0.00 N ATOM 1334 CA ASP A 86 9.891 1.451 -15.401 1.00 0.00 C ATOM 1335 C ASP A 86 8.763 2.008 -14.540 1.00 0.00 C ATOM 1336 O ASP A 86 8.816 3.155 -14.099 1.00 0.00 O ATOM 1337 CB ASP A 86 9.626 1.758 -16.876 1.00 0.00 C ATOM 1338 CG ASP A 86 9.531 3.247 -17.149 1.00 0.00 C ATOM 1339 OD1 ASP A 86 10.555 3.946 -16.996 1.00 0.00 O ATOM 1340 OD2 ASP A 86 8.433 3.713 -17.518 1.00 0.00 O ATOM 0 H ASP A 86 9.592 -0.560 -15.912 1.00 0.00 H new ATOM 0 HA ASP A 86 10.822 1.933 -15.100 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.425 1.330 -17.482 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.699 1.275 -17.184 1.00 0.00 H new ATOM 1345 N THR A 87 7.742 1.191 -14.295 1.00 0.00 N ATOM 1346 CA THR A 87 6.617 1.621 -13.474 1.00 0.00 C ATOM 1347 C THR A 87 7.093 1.919 -12.059 1.00 0.00 C ATOM 1348 O THR A 87 6.594 2.832 -11.401 1.00 0.00 O ATOM 1349 CB THR A 87 5.517 0.551 -13.460 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.270 1.123 -13.106 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.784 -0.592 -12.500 1.00 0.00 C ATOM 0 H THR A 87 7.671 0.237 -14.650 1.00 0.00 H new ATOM 0 HA THR A 87 6.197 2.531 -13.903 1.00 0.00 H new ATOM 0 HB THR A 87 5.502 0.149 -14.473 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.580 0.427 -13.103 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.962 -1.307 -12.548 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.714 -1.089 -12.776 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.868 -0.203 -11.485 1.00 0.00 H new ATOM 1359 N ALA A 88 8.076 1.149 -11.607 1.00 0.00 N ATOM 1360 CA ALA A 88 8.642 1.333 -10.281 1.00 0.00 C ATOM 1361 C ALA A 88 9.231 2.728 -10.150 1.00 0.00 C ATOM 1362 O ALA A 88 8.813 3.519 -9.304 1.00 0.00 O ATOM 1363 CB ALA A 88 9.712 0.285 -10.016 1.00 0.00 C ATOM 0 H ALA A 88 8.497 0.390 -12.143 1.00 0.00 H new ATOM 0 HA ALA A 88 7.848 1.217 -9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.128 0.434 -9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.271 -0.710 -10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.505 0.379 -10.758 1.00 0.00 H new ATOM 1369 N VAL A 89 10.201 3.024 -11.006 1.00 0.00 N ATOM 1370 CA VAL A 89 10.851 4.324 -11.005 1.00 0.00 C ATOM 1371 C VAL A 89 9.865 5.430 -11.378 1.00 0.00 C ATOM 1372 O VAL A 89 10.068 6.597 -11.040 1.00 0.00 O ATOM 1373 CB VAL A 89 12.052 4.352 -11.977 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.983 3.181 -11.705 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.587 4.339 -13.431 1.00 0.00 C ATOM 0 H VAL A 89 10.554 2.377 -11.711 1.00 0.00 H new ATOM 0 HA VAL A 89 11.216 4.501 -9.993 1.00 0.00 H new ATOM 0 HB VAL A 89 12.599 5.280 -11.809 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.823 3.216 -12.398 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.354 3.241 -10.682 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.440 2.246 -11.840 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.455 4.359 -14.091 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.009 3.435 -13.620 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.965 5.214 -13.622 1.00 0.00 H new ATOM 1385 N LYS A 90 8.798 5.053 -12.079 1.00 0.00 N ATOM 1386 CA LYS A 90 7.780 6.008 -12.502 1.00 0.00 C ATOM 1387 C LYS A 90 6.795 6.310 -11.374 1.00 0.00 C ATOM 1388 O LYS A 90 5.947 7.193 -11.503 1.00 0.00 O ATOM 1389 CB LYS A 90 7.031 5.459 -13.720 1.00 0.00 C ATOM 1390 CG LYS A 90 5.866 6.326 -14.171 1.00 0.00 C ATOM 1391 CD LYS A 90 5.237 5.788 -15.446 1.00 0.00 C ATOM 1392 CE LYS A 90 4.467 4.503 -15.188 1.00 0.00 C ATOM 1393 NZ LYS A 90 4.449 3.618 -16.385 1.00 0.00 N ATOM 0 H LYS A 90 8.617 4.091 -12.366 1.00 0.00 H new ATOM 0 HA LYS A 90 8.278 6.940 -12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.733 5.352 -14.547 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.659 4.461 -13.486 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.115 6.368 -13.382 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.212 7.346 -14.336 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.566 6.537 -15.866 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.015 5.605 -16.187 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.918 3.971 -14.350 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.444 4.744 -14.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.915 2.752 -16.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.996 4.116 -17.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.424 3.367 -16.646 1.00 0.00 H new ATOM 1407 N ALA A 91 6.902 5.573 -10.271 1.00 0.00 N ATOM 1408 CA ALA A 91 6.007 5.773 -9.136 1.00 0.00 C ATOM 1409 C ALA A 91 6.781 6.073 -7.855 1.00 0.00 C ATOM 1410 O ALA A 91 6.369 6.914 -7.057 1.00 0.00 O ATOM 1411 CB ALA A 91 5.123 4.551 -8.945 1.00 0.00 C ATOM 0 H ALA A 91 7.595 4.836 -10.140 1.00 0.00 H new ATOM 0 HA ALA A 91 5.381 6.638 -9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.459 4.711 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.529 4.388 -9.844 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.746 3.677 -8.758 1.00 0.00 H new ATOM 1417 N ILE A 92 7.896 5.377 -7.658 1.00 0.00 N ATOM 1418 CA ILE A 92 8.713 5.572 -6.465 1.00 0.00 C ATOM 1419 C ILE A 92 9.409 6.930 -6.486 1.00 0.00 C ATOM 1420 O ILE A 92 9.493 7.613 -5.465 1.00 0.00 O ATOM 1421 CB ILE A 92 9.766 4.449 -6.300 1.00 0.00 C ATOM 1422 CG1 ILE A 92 10.989 4.709 -7.190 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.150 3.092 -6.626 1.00 0.00 C ATOM 1424 CD1 ILE A 92 11.995 3.577 -7.187 1.00 0.00 C ATOM 0 H ILE A 92 8.254 4.675 -8.306 1.00 0.00 H new ATOM 0 HA ILE A 92 8.035 5.536 -5.612 1.00 0.00 H new ATOM 0 HB ILE A 92 10.097 4.443 -5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.653 4.882 -8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.482 5.622 -6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.902 2.313 -6.506 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.316 2.899 -5.951 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.791 3.093 -7.655 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.831 3.832 -7.838 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.360 3.417 -6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.518 2.666 -7.549 1.00 0.00 H new ATOM 1436 N LYS A 93 9.904 7.318 -7.658 1.00 0.00 N ATOM 1437 CA LYS A 93 10.591 8.595 -7.814 1.00 0.00 C ATOM 1438 C LYS A 93 9.699 9.752 -7.371 1.00 0.00 C ATOM 1439 O LYS A 93 10.187 10.813 -6.981 1.00 0.00 O ATOM 1440 CB LYS A 93 11.016 8.795 -9.270 1.00 0.00 C ATOM 1441 CG LYS A 93 12.193 7.927 -9.685 1.00 0.00 C ATOM 1442 CD LYS A 93 13.508 8.680 -9.570 1.00 0.00 C ATOM 1443 CE LYS A 93 14.449 8.337 -10.714 1.00 0.00 C ATOM 1444 NZ LYS A 93 14.465 9.398 -11.758 1.00 0.00 N ATOM 0 H LYS A 93 9.842 6.766 -8.513 1.00 0.00 H new ATOM 0 HA LYS A 93 11.478 8.580 -7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.168 8.578 -9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.276 9.842 -9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.227 7.035 -9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.054 7.590 -10.712 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.315 9.753 -9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.985 8.438 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.457 8.196 -10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.145 7.391 -11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.119 9.126 -12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.508 9.516 -12.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.779 10.295 -11.336 1.00 0.00 H new ATOM 1458 N LYS A 94 8.388 9.539 -7.435 1.00 0.00 N ATOM 1459 CA LYS A 94 7.426 10.562 -7.042 1.00 0.00 C ATOM 1460 C LYS A 94 7.485 10.833 -5.540 1.00 0.00 C ATOM 1461 O LYS A 94 7.037 11.879 -5.073 1.00 0.00 O ATOM 1462 CB LYS A 94 6.016 10.139 -7.439 1.00 0.00 C ATOM 1463 CG LYS A 94 5.133 11.296 -7.876 1.00 0.00 C ATOM 1464 CD LYS A 94 5.132 11.455 -9.389 1.00 0.00 C ATOM 1465 CE LYS A 94 5.167 12.919 -9.794 1.00 0.00 C ATOM 1466 NZ LYS A 94 6.558 13.449 -9.848 1.00 0.00 N ATOM 0 H LYS A 94 7.968 8.667 -7.756 1.00 0.00 H new ATOM 0 HA LYS A 94 7.686 11.483 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.078 9.414 -8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.546 9.633 -6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.114 11.130 -7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.483 12.218 -7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.994 10.939 -9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.242 10.982 -9.805 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.696 13.037 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.583 13.506 -9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.537 14.450 -10.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.000 13.361 -8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.109 12.907 -10.543 1.00 0.00 H new ATOM 1480 N GLY A 95 8.042 9.886 -4.787 1.00 0.00 N ATOM 1481 CA GLY A 95 8.145 10.055 -3.349 1.00 0.00 C ATOM 1482 C GLY A 95 7.785 8.797 -2.574 1.00 0.00 C ATOM 1483 O GLY A 95 7.890 8.773 -1.348 1.00 0.00 O ATOM 0 H GLY A 95 8.421 9.010 -5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.163 10.352 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.489 10.867 -3.037 1.00 0.00 H new ATOM 1487 N ALA A 96 7.359 7.754 -3.282 1.00 0.00 N ATOM 1488 CA ALA A 96 6.986 6.498 -2.640 1.00 0.00 C ATOM 1489 C ALA A 96 8.132 5.943 -1.800 1.00 0.00 C ATOM 1490 O ALA A 96 9.113 6.636 -1.533 1.00 0.00 O ATOM 1491 CB ALA A 96 6.554 5.479 -3.684 1.00 0.00 C ATOM 0 H ALA A 96 7.264 7.754 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 96 6.148 6.698 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.279 4.547 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.697 5.865 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.377 5.295 -4.375 1.00 0.00 H new ATOM 1497 N TYR A 97 7.997 4.690 -1.378 1.00 0.00 N ATOM 1498 CA TYR A 97 9.016 4.044 -0.560 1.00 0.00 C ATOM 1499 C TYR A 97 9.771 2.980 -1.348 1.00 0.00 C ATOM 1500 O TYR A 97 10.306 2.033 -0.773 1.00 0.00 O ATOM 1501 CB TYR A 97 8.372 3.417 0.672 1.00 0.00 C ATOM 1502 CG TYR A 97 9.360 3.041 1.753 1.00 0.00 C ATOM 1503 CD1 TYR A 97 9.852 3.996 2.632 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.798 1.731 1.892 1.00 0.00 C ATOM 1505 CE1 TYR A 97 10.755 3.655 3.622 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.700 1.382 2.879 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.175 2.348 3.741 1.00 0.00 C ATOM 1508 OH TYR A 97 12.074 2.005 4.725 1.00 0.00 O ATOM 0 H TYR A 97 7.191 4.102 -1.589 1.00 0.00 H new ATOM 0 HA TYR A 97 9.732 4.806 -0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.644 4.115 1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.822 2.526 0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.524 5.021 2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.428 0.973 1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.129 4.409 4.299 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.031 0.358 2.975 1.00 0.00 H new ATOM 0 HH TYR A 97 12.266 1.045 4.673 1.00 0.00 H new ATOM 1518 N GLU A 98 9.813 3.149 -2.664 1.00 0.00 N ATOM 1519 CA GLU A 98 10.507 2.215 -3.552 1.00 0.00 C ATOM 1520 C GLU A 98 9.659 0.973 -3.819 1.00 0.00 C ATOM 1521 O GLU A 98 8.826 0.587 -2.999 1.00 0.00 O ATOM 1522 CB GLU A 98 11.881 1.827 -2.972 1.00 0.00 C ATOM 1523 CG GLU A 98 11.924 0.465 -2.288 1.00 0.00 C ATOM 1524 CD GLU A 98 12.279 -0.659 -3.243 1.00 0.00 C ATOM 1525 OE1 GLU A 98 12.309 -0.412 -4.468 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.527 -1.786 -2.766 1.00 0.00 O ATOM 0 H GLU A 98 9.371 3.931 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 98 10.669 2.718 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.616 1.837 -3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.185 2.589 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.653 0.492 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.954 0.259 -1.836 1.00 0.00 H new ATOM 1533 N PHE A 99 9.880 0.356 -4.975 1.00 0.00 N ATOM 1534 CA PHE A 99 9.143 -0.842 -5.361 1.00 0.00 C ATOM 1535 C PHE A 99 9.635 -2.059 -4.584 1.00 0.00 C ATOM 1536 O PHE A 99 10.695 -2.612 -4.878 1.00 0.00 O ATOM 1537 CB PHE A 99 9.287 -1.086 -6.865 1.00 0.00 C ATOM 1538 CG PHE A 99 8.012 -0.876 -7.633 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.201 0.217 -7.370 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.627 -1.770 -8.619 1.00 0.00 C ATOM 1541 CE1 PHE A 99 6.030 0.414 -8.077 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.456 -1.578 -9.328 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.657 -0.484 -9.057 1.00 0.00 C ATOM 0 H PHE A 99 10.566 0.667 -5.663 1.00 0.00 H new ATOM 0 HA PHE A 99 8.091 -0.687 -5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.054 -0.420 -7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.636 -2.106 -7.028 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.487 0.922 -6.604 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.249 -2.626 -8.836 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.407 1.270 -7.863 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.166 -2.283 -10.093 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.742 -0.332 -9.611 1.00 0.00 H new ATOM 1553 N LEU A 100 8.859 -2.465 -3.584 1.00 0.00 N ATOM 1554 CA LEU A 100 9.203 -3.608 -2.753 1.00 0.00 C ATOM 1555 C LEU A 100 8.841 -4.928 -3.432 1.00 0.00 C ATOM 1556 O LEU A 100 8.148 -5.762 -2.852 1.00 0.00 O ATOM 1557 CB LEU A 100 8.465 -3.485 -1.424 1.00 0.00 C ATOM 1558 CG LEU A 100 8.845 -4.503 -0.355 1.00 0.00 C ATOM 1559 CD1 LEU A 100 10.354 -4.674 -0.273 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.283 -4.063 0.983 1.00 0.00 C ATOM 0 H LEU A 100 7.981 -2.013 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 100 10.281 -3.611 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.639 -2.486 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.395 -3.570 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 100 8.419 -5.470 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.596 -5.406 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.734 -5.020 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.815 -3.719 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.554 -4.790 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.693 -3.088 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.197 -3.994 0.917 1.00 0.00 H new ATOM 1572 N GLU A 101 9.312 -5.116 -4.662 1.00 0.00 N ATOM 1573 CA GLU A 101 9.029 -6.338 -5.406 1.00 0.00 C ATOM 1574 C GLU A 101 10.313 -7.071 -5.777 1.00 0.00 C ATOM 1575 O GLU A 101 11.268 -6.467 -6.266 1.00 0.00 O ATOM 1576 CB GLU A 101 8.233 -6.014 -6.672 1.00 0.00 C ATOM 1577 CG GLU A 101 8.935 -5.035 -7.597 1.00 0.00 C ATOM 1578 CD GLU A 101 8.879 -5.462 -9.050 1.00 0.00 C ATOM 1579 OE1 GLU A 101 8.936 -6.682 -9.314 1.00 0.00 O ATOM 1580 OE2 GLU A 101 8.776 -4.578 -9.926 1.00 0.00 O ATOM 0 H GLU A 101 9.889 -4.440 -5.162 1.00 0.00 H new ATOM 0 HA GLU A 101 8.437 -6.990 -4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.038 -6.939 -7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.265 -5.602 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.477 -4.051 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.977 -4.935 -7.291 1.00 0.00 H new ATOM 1587 N LYS A 102 10.327 -8.381 -5.543 1.00 0.00 N ATOM 1588 CA LYS A 102 11.490 -9.207 -5.855 1.00 0.00 C ATOM 1589 C LYS A 102 11.276 -10.645 -5.382 1.00 0.00 C ATOM 1590 O LYS A 102 11.337 -11.583 -6.176 1.00 0.00 O ATOM 1591 CB LYS A 102 12.754 -8.625 -5.214 1.00 0.00 C ATOM 1592 CG LYS A 102 13.839 -8.272 -6.219 1.00 0.00 C ATOM 1593 CD LYS A 102 15.083 -7.735 -5.530 1.00 0.00 C ATOM 1594 CE LYS A 102 16.327 -7.962 -6.373 1.00 0.00 C ATOM 1595 NZ LYS A 102 16.830 -9.358 -6.260 1.00 0.00 N ATOM 0 H LYS A 102 9.544 -8.894 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 102 11.618 -9.213 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 102 12.487 -7.731 -4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.153 -9.344 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.098 -9.156 -6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 102 13.460 -7.528 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.962 -6.669 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.204 -8.222 -4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.103 -7.741 -7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.108 -7.269 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.679 -9.470 -6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.068 -9.562 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.095 -10.019 -6.582 1.00 0.00 H new ATOM 1609 N PRO A 103 11.024 -10.837 -4.075 1.00 0.00 N ATOM 1610 CA PRO A 103 10.805 -12.162 -3.498 1.00 0.00 C ATOM 1611 C PRO A 103 9.360 -12.637 -3.641 1.00 0.00 C ATOM 1612 O PRO A 103 8.987 -13.681 -3.104 1.00 0.00 O ATOM 1613 CB PRO A 103 11.146 -11.942 -2.029 1.00 0.00 C ATOM 1614 CG PRO A 103 10.735 -10.534 -1.761 1.00 0.00 C ATOM 1615 CD PRO A 103 10.937 -9.776 -3.050 1.00 0.00 C ATOM 0 HA PRO A 103 11.399 -12.931 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 103 10.610 -12.642 -1.387 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.210 -12.088 -1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.693 -10.488 -1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.333 -10.101 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.108 -9.096 -3.248 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.844 -9.173 -3.021 1.00 0.00 H new ATOM 1623 N PHE A 104 8.548 -11.869 -4.362 1.00 0.00 N ATOM 1624 CA PHE A 104 7.146 -12.218 -4.562 1.00 0.00 C ATOM 1625 C PHE A 104 6.403 -12.256 -3.230 1.00 0.00 C ATOM 1626 O PHE A 104 7.015 -12.156 -2.165 1.00 0.00 O ATOM 1627 CB PHE A 104 7.031 -13.570 -5.269 1.00 0.00 C ATOM 1628 CG PHE A 104 6.512 -13.467 -6.676 1.00 0.00 C ATOM 1629 CD1 PHE A 104 7.038 -12.533 -7.554 1.00 0.00 C ATOM 1630 CD2 PHE A 104 5.498 -14.302 -7.117 1.00 0.00 C ATOM 1631 CE1 PHE A 104 6.562 -12.435 -8.848 1.00 0.00 C ATOM 1632 CE2 PHE A 104 5.019 -14.208 -8.410 1.00 0.00 C ATOM 1633 CZ PHE A 104 5.552 -13.274 -9.277 1.00 0.00 C ATOM 0 H PHE A 104 8.837 -11.003 -4.816 1.00 0.00 H new ATOM 0 HA PHE A 104 6.689 -11.452 -5.189 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.011 -14.047 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.370 -14.218 -4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.828 -11.875 -7.224 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.078 -15.034 -6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.980 -11.703 -9.523 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.228 -14.864 -8.742 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.180 -13.200 -10.288 1.00 0.00 H new ATOM 1643 N SER A 105 5.084 -12.399 -3.294 1.00 0.00 N ATOM 1644 CA SER A 105 4.262 -12.445 -2.089 1.00 0.00 C ATOM 1645 C SER A 105 4.430 -11.167 -1.273 1.00 0.00 C ATOM 1646 O SER A 105 4.969 -10.175 -1.764 1.00 0.00 O ATOM 1647 CB SER A 105 4.634 -13.663 -1.240 1.00 0.00 C ATOM 1648 OG SER A 105 4.785 -14.819 -2.044 1.00 0.00 O ATOM 0 H SER A 105 4.561 -12.485 -4.166 1.00 0.00 H new ATOM 0 HA SER A 105 3.218 -12.529 -2.390 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.562 -13.466 -0.703 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.862 -13.836 -0.490 1.00 0.00 H new ATOM 0 HG SER A 105 5.024 -15.582 -1.478 1.00 0.00 H new ATOM 1654 N VAL A 106 3.967 -11.194 -0.027 1.00 0.00 N ATOM 1655 CA VAL A 106 4.074 -10.030 0.846 1.00 0.00 C ATOM 1656 C VAL A 106 4.962 -10.314 2.059 1.00 0.00 C ATOM 1657 O VAL A 106 5.333 -9.396 2.786 1.00 0.00 O ATOM 1658 CB VAL A 106 2.687 -9.548 1.323 1.00 0.00 C ATOM 1659 CG1 VAL A 106 1.738 -9.408 0.143 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.111 -10.491 2.369 1.00 0.00 C ATOM 0 H VAL A 106 3.517 -12.004 0.399 1.00 0.00 H new ATOM 0 HA VAL A 106 4.535 -9.240 0.253 1.00 0.00 H new ATOM 0 HB VAL A 106 2.809 -8.569 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.765 -9.067 0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.141 -8.683 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.627 -10.373 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.134 -10.128 2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.006 -11.488 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.780 -10.534 3.228 1.00 0.00 H new ATOM 1670 N GLU A 107 5.297 -11.587 2.284 1.00 0.00 N ATOM 1671 CA GLU A 107 6.140 -11.972 3.415 1.00 0.00 C ATOM 1672 C GLU A 107 7.285 -10.981 3.613 1.00 0.00 C ATOM 1673 O GLU A 107 7.497 -10.475 4.714 1.00 0.00 O ATOM 1674 CB GLU A 107 6.697 -13.376 3.201 1.00 0.00 C ATOM 1675 CG GLU A 107 7.200 -14.027 4.477 1.00 0.00 C ATOM 1676 CD GLU A 107 8.299 -15.040 4.221 1.00 0.00 C ATOM 1677 OE1 GLU A 107 8.025 -16.056 3.549 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.433 -14.817 4.695 1.00 0.00 O ATOM 0 H GLU A 107 4.997 -12.366 1.698 1.00 0.00 H new ATOM 0 HA GLU A 107 5.523 -11.963 4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.921 -14.004 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.513 -13.329 2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.572 -13.256 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.368 -14.518 4.982 1.00 0.00 H new ATOM 1685 N ARG A 108 8.009 -10.691 2.534 1.00 0.00 N ATOM 1686 CA ARG A 108 9.112 -9.742 2.596 1.00 0.00 C ATOM 1687 C ARG A 108 8.574 -8.349 2.892 1.00 0.00 C ATOM 1688 O ARG A 108 9.195 -7.564 3.608 1.00 0.00 O ATOM 1689 CB ARG A 108 9.893 -9.738 1.279 1.00 0.00 C ATOM 1690 CG ARG A 108 11.370 -9.419 1.451 1.00 0.00 C ATOM 1691 CD ARG A 108 11.714 -8.033 0.925 1.00 0.00 C ATOM 1692 NE ARG A 108 12.750 -8.080 -0.103 1.00 0.00 N ATOM 1693 CZ ARG A 108 13.487 -7.032 -0.462 1.00 0.00 C ATOM 1694 NH1 ARG A 108 13.306 -5.854 0.122 1.00 0.00 N ATOM 1695 NH2 ARG A 108 14.408 -7.162 -1.408 1.00 0.00 N ATOM 0 H ARG A 108 7.851 -11.098 1.612 1.00 0.00 H new ATOM 0 HA ARG A 108 9.790 -10.042 3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 108 9.793 -10.714 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.448 -9.007 0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 108 11.635 -9.483 2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.967 -10.165 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 108 10.817 -7.568 0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.050 -7.405 1.750 1.00 0.00 H new ATOM 0 HE ARG A 108 12.919 -8.969 -0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.599 -5.749 0.850 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.874 -5.054 -0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.551 -8.065 -1.860 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.973 -6.359 -1.683 1.00 0.00 H new ATOM 1709 N PHE A 109 7.396 -8.062 2.345 1.00 0.00 N ATOM 1710 CA PHE A 109 6.738 -6.780 2.551 1.00 0.00 C ATOM 1711 C PHE A 109 6.507 -6.538 4.045 1.00 0.00 C ATOM 1712 O PHE A 109 6.394 -5.397 4.491 1.00 0.00 O ATOM 1713 CB PHE A 109 5.414 -6.750 1.764 1.00 0.00 C ATOM 1714 CG PHE A 109 4.225 -6.222 2.524 1.00 0.00 C ATOM 1715 CD1 PHE A 109 3.622 -6.981 3.515 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.708 -4.970 2.237 1.00 0.00 C ATOM 1717 CE1 PHE A 109 2.526 -6.498 4.206 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.611 -4.483 2.923 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.019 -5.249 3.909 1.00 0.00 C ATOM 0 H PHE A 109 6.876 -8.708 1.751 1.00 0.00 H new ATOM 0 HA PHE A 109 7.376 -5.977 2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.554 -6.140 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.188 -7.761 1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.012 -7.960 3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.167 -4.367 1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.067 -7.098 4.978 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.217 -3.505 2.689 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.162 -4.871 4.446 1.00 0.00 H new ATOM 1729 N LEU A 110 6.449 -7.626 4.809 1.00 0.00 N ATOM 1730 CA LEU A 110 6.243 -7.551 6.249 1.00 0.00 C ATOM 1731 C LEU A 110 7.358 -6.765 6.925 1.00 0.00 C ATOM 1732 O LEU A 110 7.106 -5.872 7.734 1.00 0.00 O ATOM 1733 CB LEU A 110 6.186 -8.952 6.838 1.00 0.00 C ATOM 1734 CG LEU A 110 5.192 -9.129 7.981 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.095 -10.591 8.368 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.599 -8.282 9.179 1.00 0.00 C ATOM 0 H LEU A 110 6.543 -8.576 4.449 1.00 0.00 H new ATOM 0 HA LEU A 110 5.299 -7.036 6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.933 -9.654 6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.180 -9.221 7.196 1.00 0.00 H new ATOM 0 HG LEU A 110 4.211 -8.794 7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.382 -10.705 9.185 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.759 -11.173 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.074 -10.948 8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.878 -8.421 9.985 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.588 -8.586 9.521 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.622 -7.231 8.891 1.00 0.00 H new ATOM 1748 N LEU A 111 8.593 -7.117 6.592 1.00 0.00 N ATOM 1749 CA LEU A 111 9.764 -6.463 7.166 1.00 0.00 C ATOM 1750 C LEU A 111 9.728 -4.958 6.933 1.00 0.00 C ATOM 1751 O LEU A 111 9.802 -4.174 7.879 1.00 0.00 O ATOM 1752 CB LEU A 111 11.044 -7.054 6.574 1.00 0.00 C ATOM 1753 CG LEU A 111 11.279 -8.534 6.884 1.00 0.00 C ATOM 1754 CD1 LEU A 111 10.635 -9.411 5.821 1.00 0.00 C ATOM 1755 CD2 LEU A 111 12.769 -8.825 6.986 1.00 0.00 C ATOM 0 H LEU A 111 8.811 -7.856 5.924 1.00 0.00 H new ATOM 0 HA LEU A 111 9.752 -6.639 8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.019 -6.925 5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 111 11.895 -6.482 6.944 1.00 0.00 H new ATOM 0 HG LEU A 111 10.816 -8.763 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 111 10.813 -10.460 6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.562 -9.222 5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.068 -9.181 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.919 -9.882 7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.253 -8.580 6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.204 -8.222 7.784 1.00 0.00 H new ATOM 1767 N THR A 112 9.622 -4.558 5.671 1.00 0.00 N ATOM 1768 CA THR A 112 9.585 -3.143 5.316 1.00 0.00 C ATOM 1769 C THR A 112 8.495 -2.403 6.087 1.00 0.00 C ATOM 1770 O THR A 112 8.775 -1.433 6.788 1.00 0.00 O ATOM 1771 CB THR A 112 9.361 -2.981 3.812 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.356 -3.675 3.080 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.380 -1.538 3.356 1.00 0.00 C ATOM 0 H THR A 112 9.560 -5.194 4.876 1.00 0.00 H new ATOM 0 HA THR A 112 10.547 -2.707 5.587 1.00 0.00 H new ATOM 0 HB THR A 112 8.370 -3.393 3.621 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.626 -3.138 2.306 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.215 -1.494 2.279 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.592 -0.985 3.866 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.347 -1.094 3.593 1.00 0.00 H new ATOM 1781 N ILE A 113 7.251 -2.863 5.934 1.00 0.00 N ATOM 1782 CA ILE A 113 6.098 -2.247 6.597 1.00 0.00 C ATOM 1783 C ILE A 113 6.473 -1.643 7.946 1.00 0.00 C ATOM 1784 O ILE A 113 6.376 -0.430 8.135 1.00 0.00 O ATOM 1785 CB ILE A 113 4.949 -3.267 6.781 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.180 -3.439 5.471 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.004 -2.835 7.895 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.592 -2.149 4.943 1.00 0.00 C ATOM 0 H ILE A 113 7.015 -3.667 5.352 1.00 0.00 H new ATOM 0 HA ILE A 113 5.756 -1.441 5.947 1.00 0.00 H new ATOM 0 HB ILE A 113 5.388 -4.224 7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.848 -3.859 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.377 -4.160 5.622 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.207 -3.571 8.002 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.556 -2.760 8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.572 -1.865 7.650 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.061 -2.346 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.899 -1.738 5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.393 -1.432 4.759 1.00 0.00 H new ATOM 1800 N LYS A 114 6.916 -2.482 8.875 1.00 0.00 N ATOM 1801 CA LYS A 114 7.320 -1.999 10.189 1.00 0.00 C ATOM 1802 C LYS A 114 8.273 -0.823 10.017 1.00 0.00 C ATOM 1803 O LYS A 114 8.004 0.289 10.469 1.00 0.00 O ATOM 1804 CB LYS A 114 7.992 -3.113 10.987 1.00 0.00 C ATOM 1805 CG LYS A 114 7.873 -2.941 12.493 1.00 0.00 C ATOM 1806 CD LYS A 114 9.032 -2.132 13.057 1.00 0.00 C ATOM 1807 CE LYS A 114 8.559 -0.818 13.658 1.00 0.00 C ATOM 1808 NZ LYS A 114 8.535 -0.863 15.146 1.00 0.00 N ATOM 0 H LYS A 114 7.004 -3.490 8.745 1.00 0.00 H new ATOM 0 HA LYS A 114 6.437 -1.675 10.740 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.551 -4.069 10.703 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.047 -3.156 10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.932 -2.444 12.730 1.00 0.00 H new ATOM 0 HG3 LYS A 114 7.845 -3.920 12.971 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.547 -2.717 13.819 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.755 -1.931 12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 114 9.215 -0.012 13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.561 -0.587 13.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.207 0.052 15.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.889 -1.615 15.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.492 -1.057 15.503 1.00 0.00 H new ATOM 1822 N HIS A 115 9.379 -1.090 9.335 1.00 0.00 N ATOM 1823 CA HIS A 115 10.379 -0.068 9.065 1.00 0.00 C ATOM 1824 C HIS A 115 9.736 1.160 8.421 1.00 0.00 C ATOM 1825 O HIS A 115 10.223 2.279 8.577 1.00 0.00 O ATOM 1826 CB HIS A 115 11.473 -0.623 8.159 1.00 0.00 C ATOM 1827 CG HIS A 115 12.830 -0.056 8.442 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.409 0.930 7.671 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.723 -0.342 9.417 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.600 1.225 8.160 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.815 0.467 9.219 1.00 0.00 N ATOM 0 H HIS A 115 9.606 -2.010 8.958 1.00 0.00 H new ATOM 0 HA HIS A 115 10.825 0.232 10.013 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.511 -1.707 8.270 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.212 -0.418 7.121 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.600 -1.071 10.204 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.282 1.961 7.761 1.00 0.00 H new ATOM 0 HE2 HIS A 115 15.656 0.480 9.797 1.00 0.00 H new ATOM 1840 N ALA A 116 8.635 0.944 7.698 1.00 0.00 N ATOM 1841 CA ALA A 116 7.927 2.036 7.040 1.00 0.00 C ATOM 1842 C ALA A 116 7.231 2.929 8.061 1.00 0.00 C ATOM 1843 O ALA A 116 7.101 4.137 7.860 1.00 0.00 O ATOM 1844 CB ALA A 116 6.917 1.485 6.044 1.00 0.00 C ATOM 0 H ALA A 116 8.218 0.024 7.556 1.00 0.00 H new ATOM 0 HA ALA A 116 8.658 2.641 6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.396 2.311 5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.435 0.892 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.196 0.857 6.567 1.00 0.00 H new ATOM 1850 N PHE A 117 6.783 2.323 9.156 1.00 0.00 N ATOM 1851 CA PHE A 117 6.097 3.057 10.213 1.00 0.00 C ATOM 1852 C PHE A 117 7.055 3.995 10.943 1.00 0.00 C ATOM 1853 O PHE A 117 6.862 5.210 10.954 1.00 0.00 O ATOM 1854 CB PHE A 117 5.469 2.080 11.208 1.00 0.00 C ATOM 1855 CG PHE A 117 4.116 1.577 10.790 1.00 0.00 C ATOM 1856 CD1 PHE A 117 2.967 2.271 11.138 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.991 0.407 10.056 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.722 1.810 10.759 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.747 -0.057 9.677 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.613 0.645 10.028 1.00 0.00 C ATOM 0 H PHE A 117 6.883 1.324 9.334 1.00 0.00 H new ATOM 0 HA PHE A 117 5.313 3.659 9.752 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.138 1.230 11.340 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.381 2.570 12.178 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.047 3.182 11.712 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.876 -0.147 9.778 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.835 2.361 11.034 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.662 -0.970 9.106 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.640 0.283 9.731 1.00 0.00 H new ATOM 1870 N GLU A 118 8.083 3.420 11.559 1.00 0.00 N ATOM 1871 CA GLU A 118 9.068 4.199 12.301 1.00 0.00 C ATOM 1872 C GLU A 118 9.777 5.204 11.398 1.00 0.00 C ATOM 1873 O GLU A 118 10.016 6.345 11.795 1.00 0.00 O ATOM 1874 CB GLU A 118 10.093 3.274 12.953 1.00 0.00 C ATOM 1875 CG GLU A 118 9.531 2.459 14.106 1.00 0.00 C ATOM 1876 CD GLU A 118 10.567 1.549 14.738 1.00 0.00 C ATOM 1877 OE1 GLU A 118 11.219 0.786 13.995 1.00 0.00 O ATOM 1878 OE2 GLU A 118 10.725 1.601 15.975 1.00 0.00 O ATOM 0 H GLU A 118 8.256 2.415 11.559 1.00 0.00 H new ATOM 0 HA GLU A 118 8.538 4.753 13.076 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.489 2.595 12.198 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.930 3.871 13.315 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.135 3.135 14.864 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.695 1.858 13.748 1.00 0.00 H new ATOM 1885 N GLU A 119 10.115 4.777 10.185 1.00 0.00 N ATOM 1886 CA GLU A 119 10.801 5.648 9.235 1.00 0.00 C ATOM 1887 C GLU A 119 9.866 6.721 8.680 1.00 0.00 C ATOM 1888 O GLU A 119 10.305 7.636 7.984 1.00 0.00 O ATOM 1889 CB GLU A 119 11.389 4.826 8.088 1.00 0.00 C ATOM 1890 CG GLU A 119 12.465 3.848 8.530 1.00 0.00 C ATOM 1891 CD GLU A 119 13.772 4.534 8.875 1.00 0.00 C ATOM 1892 OE1 GLU A 119 14.078 5.575 8.255 1.00 0.00 O ATOM 1893 OE2 GLU A 119 14.490 4.032 9.765 1.00 0.00 O ATOM 0 H GLU A 119 9.926 3.837 9.837 1.00 0.00 H new ATOM 0 HA GLU A 119 11.608 6.148 9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.586 4.274 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.809 5.503 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.111 3.292 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.639 3.122 7.736 1.00 0.00 H new ATOM 1900 N TYR A 120 8.579 6.605 8.989 1.00 0.00 N ATOM 1901 CA TYR A 120 7.592 7.569 8.518 1.00 0.00 C ATOM 1902 C TYR A 120 6.507 7.794 9.567 1.00 0.00 C ATOM 1903 O TYR A 120 5.327 7.917 9.237 1.00 0.00 O ATOM 1904 CB TYR A 120 6.967 7.088 7.207 1.00 0.00 C ATOM 1905 CG TYR A 120 6.948 8.143 6.124 1.00 0.00 C ATOM 1906 CD1 TYR A 120 6.534 9.440 6.398 1.00 0.00 C ATOM 1907 CD2 TYR A 120 7.344 7.841 4.827 1.00 0.00 C ATOM 1908 CE1 TYR A 120 6.516 10.407 5.411 1.00 0.00 C ATOM 1909 CE2 TYR A 120 7.330 8.802 3.834 1.00 0.00 C ATOM 1910 CZ TYR A 120 6.915 10.083 4.131 1.00 0.00 C ATOM 1911 OH TYR A 120 6.898 11.043 3.146 1.00 0.00 O ATOM 0 H TYR A 120 8.196 5.854 9.563 1.00 0.00 H new ATOM 0 HA TYR A 120 8.099 8.518 8.342 1.00 0.00 H new ATOM 0 HB2 TYR A 120 7.519 6.220 6.848 1.00 0.00 H new ATOM 0 HB3 TYR A 120 5.946 6.759 7.400 1.00 0.00 H new ATOM 0 HD1 TYR A 120 6.221 9.697 7.399 1.00 0.00 H new ATOM 0 HD2 TYR A 120 7.668 6.838 4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.191 11.411 5.641 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.642 8.551 2.831 1.00 0.00 H new ATOM 0 HH TYR A 120 7.423 10.734 2.378 1.00 0.00 H new ATOM 1921 N SER A 121 6.914 7.844 10.831 1.00 0.00 N ATOM 1922 CA SER A 121 5.977 8.053 11.929 1.00 0.00 C ATOM 1923 C SER A 121 5.327 9.430 11.833 1.00 0.00 C ATOM 1924 O SER A 121 5.993 10.454 11.984 1.00 0.00 O ATOM 1925 CB SER A 121 6.692 7.907 13.272 1.00 0.00 C ATOM 1926 OG SER A 121 7.995 8.463 13.221 1.00 0.00 O ATOM 0 H SER A 121 7.887 7.743 11.121 1.00 0.00 H new ATOM 0 HA SER A 121 5.196 7.296 11.857 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.113 8.402 14.051 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.754 6.853 13.542 1.00 0.00 H new ATOM 0 HG SER A 121 8.430 8.358 14.093 1.00 0.00 H new TER 1932 SER A 121