USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 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 48 LYS NZ :NH3+ -175:sc= 1.15 (180deg=-0.0659) USER MOD Set 1.2: A 50 SER OG : rot 8:sc= 1.22 USER MOD Set 2.1: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 0 SER OG : rot 70:sc= -1.4 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ 165:sc= 0.955 (180deg=0.806) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 0.0329 (180deg=-1.53!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.04 K(o=-0.04,f=-2.9!) USER MOD Single : A 23 LYS NZ :NH3+ -125:sc= 0.983 (180deg=0.345) USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.036) USER MOD Single : A 30 GLN : amide:sc= -1.75! C(o=-1.7!,f=-1.2!) USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= -0.0118 (180deg=-0.0929) USER MOD Single : A 41 THR OG1 : rot 140:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -1.86! (180deg=-3.17!) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= -0.0804 (180deg=-0.381) USER MOD Single : A 49 THR OG1 : rot 150:sc= 0.179 USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= 0.985 (180deg=0.762) USER MOD Single : A 56 TYR OH : rot 69:sc= -0.923 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.771 USER MOD Single : A 59 SER OG : rot 180:sc= -1.6! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= 0.212 (180deg=-0.618!) USER MOD Single : A 71 LYS NZ :NH3+ -161:sc= 0.694 (180deg=-2.01) USER MOD Single : A 74 LYS NZ :NH3+ -151:sc= -3.18! (180deg=-6.25!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 149:sc= -2.56! (180deg=-4.72!) USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= 1.17 (180deg=1) USER MOD Single : A 88 LYS NZ :NH3+ -160:sc= -0.0563 (180deg=-0.387) USER MOD Single : A 96 TYR OH : rot 30:sc= -1.35 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 6.630 7.016 6.496 1.00 0.00 N ATOM 2 CA GLY A -1 7.542 6.579 5.408 1.00 0.00 C ATOM 3 C GLY A -1 7.829 5.095 5.480 1.00 0.00 C ATOM 4 O GLY A -1 7.280 4.398 6.332 1.00 0.00 O ATOM 0 H1 GLY A -1 6.655 8.053 6.575 1.00 0.00 H new ATOM 0 H2 GLY A -1 5.660 6.709 6.280 1.00 0.00 H new ATOM 0 H3 GLY A -1 6.935 6.593 7.396 1.00 0.00 H new ATOM 0 HA2 GLY A -1 7.096 6.817 4.442 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.478 7.134 5.473 1.00 0.00 H new ATOM 10 N SER A 0 8.688 4.602 4.601 1.00 0.00 N ATOM 11 CA SER A 0 9.020 3.188 4.590 1.00 0.00 C ATOM 12 C SER A 0 10.276 2.943 5.412 1.00 0.00 C ATOM 13 O SER A 0 11.382 2.909 4.877 1.00 0.00 O ATOM 14 CB SER A 0 9.234 2.669 3.162 1.00 0.00 C ATOM 15 OG SER A 0 9.198 1.256 3.140 1.00 0.00 O ATOM 0 H SER A 0 9.165 5.157 3.890 1.00 0.00 H new ATOM 0 HA SER A 0 8.180 2.647 5.026 1.00 0.00 H new ATOM 0 HB2 SER A 0 8.463 3.069 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 0 10.193 3.021 2.780 1.00 0.00 H new ATOM 0 HG SER A 0 8.283 0.949 3.311 1.00 0.00 H new ATOM 21 N LEU A 1 10.111 2.798 6.716 1.00 0.00 N ATOM 22 CA LEU A 1 11.244 2.515 7.580 1.00 0.00 C ATOM 23 C LEU A 1 11.491 1.016 7.634 1.00 0.00 C ATOM 24 O LEU A 1 11.080 0.335 8.574 1.00 0.00 O ATOM 25 CB LEU A 1 11.040 3.076 8.995 1.00 0.00 C ATOM 26 CG LEU A 1 11.024 4.609 9.114 1.00 0.00 C ATOM 27 CD1 LEU A 1 12.184 5.223 8.341 1.00 0.00 C ATOM 28 CD2 LEU A 1 9.697 5.184 8.646 1.00 0.00 C ATOM 0 H LEU A 1 9.214 2.871 7.195 1.00 0.00 H new ATOM 0 HA LEU A 1 12.118 3.011 7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.098 2.691 9.385 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.832 2.689 9.636 1.00 0.00 H new ATOM 0 HG LEU A 1 11.143 4.863 10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 1 12.153 6.308 8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.126 4.849 8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 1 12.104 4.952 7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 1 9.717 6.270 8.742 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.532 4.915 7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 1 8.890 4.780 9.257 1.00 0.00 H new ATOM 40 N ILE A 2 12.124 0.504 6.589 1.00 0.00 N ATOM 41 CA ILE A 2 12.452 -0.906 6.509 1.00 0.00 C ATOM 42 C ILE A 2 13.700 -1.111 5.645 1.00 0.00 C ATOM 43 O ILE A 2 13.630 -1.309 4.427 1.00 0.00 O ATOM 44 CB ILE A 2 11.251 -1.746 5.986 1.00 0.00 C ATOM 45 CG1 ILE A 2 11.590 -3.237 5.999 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.810 -1.304 4.593 1.00 0.00 C ATOM 47 CD1 ILE A 2 11.842 -3.791 7.386 1.00 0.00 C ATOM 0 H ILE A 2 12.421 1.051 5.781 1.00 0.00 H new ATOM 0 HA ILE A 2 12.670 -1.262 7.516 1.00 0.00 H new ATOM 0 HB ILE A 2 10.413 -1.573 6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.772 -3.791 5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 2 12.474 -3.405 5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.970 -1.916 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.507 -0.257 4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.638 -1.422 3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 2 12.076 -4.853 7.316 1.00 0.00 H new ATOM 0 HD12 ILE A 2 12.680 -3.264 7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.951 -3.655 7.999 1.00 0.00 H new ATOM 59 N LEU A 3 14.857 -1.024 6.277 1.00 0.00 N ATOM 60 CA LEU A 3 16.112 -1.123 5.553 1.00 0.00 C ATOM 61 C LEU A 3 17.034 -2.161 6.167 1.00 0.00 C ATOM 62 O LEU A 3 17.206 -2.234 7.386 1.00 0.00 O ATOM 63 CB LEU A 3 16.836 0.230 5.489 1.00 0.00 C ATOM 64 CG LEU A 3 17.306 0.815 6.827 1.00 0.00 C ATOM 65 CD1 LEU A 3 18.413 1.832 6.601 1.00 0.00 C ATOM 66 CD2 LEU A 3 16.146 1.443 7.585 1.00 0.00 C ATOM 0 H LEU A 3 14.954 -0.886 7.283 1.00 0.00 H new ATOM 0 HA LEU A 3 15.860 -1.435 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 3 17.704 0.123 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.171 0.952 5.015 1.00 0.00 H new ATOM 0 HG LEU A 3 17.702 0.001 7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 3 18.736 2.238 7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 3 19.257 1.348 6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 3 18.041 2.640 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.506 1.850 8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.712 2.244 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.388 0.685 7.782 1.00 0.00 H new ATOM 78 N ASP A 4 17.589 -2.984 5.301 1.00 0.00 N ATOM 79 CA ASP A 4 18.679 -3.873 5.659 1.00 0.00 C ATOM 80 C ASP A 4 19.981 -3.181 5.270 1.00 0.00 C ATOM 81 O ASP A 4 21.057 -3.484 5.778 1.00 0.00 O ATOM 82 CB ASP A 4 18.529 -5.201 4.906 1.00 0.00 C ATOM 83 CG ASP A 4 19.389 -6.319 5.460 1.00 0.00 C ATOM 84 OD1 ASP A 4 20.608 -6.319 5.219 1.00 0.00 O ATOM 85 OD2 ASP A 4 18.833 -7.225 6.115 1.00 0.00 O ATOM 0 H ASP A 4 17.297 -3.057 4.326 1.00 0.00 H new ATOM 0 HA ASP A 4 18.674 -4.089 6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 4 17.484 -5.510 4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 4 18.784 -5.044 3.858 1.00 0.00 H new ATOM 90 N GLY A 5 19.837 -2.212 4.370 1.00 0.00 N ATOM 91 CA GLY A 5 20.968 -1.468 3.856 1.00 0.00 C ATOM 92 C GLY A 5 20.818 -1.205 2.371 1.00 0.00 C ATOM 93 O GLY A 5 21.519 -1.810 1.559 1.00 0.00 O ATOM 0 H GLY A 5 18.937 -1.927 3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 5 21.057 -0.521 4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 5 21.887 -2.025 4.039 1.00 0.00 H new ATOM 97 N ASP A 6 19.878 -0.314 2.017 1.00 0.00 N ATOM 98 CA ASP A 6 19.548 -0.033 0.616 1.00 0.00 C ATOM 99 C ASP A 6 18.986 -1.296 -0.029 1.00 0.00 C ATOM 100 O ASP A 6 19.124 -1.535 -1.225 1.00 0.00 O ATOM 101 CB ASP A 6 20.780 0.486 -0.147 1.00 0.00 C ATOM 102 CG ASP A 6 20.440 1.057 -1.514 1.00 0.00 C ATOM 103 OD1 ASP A 6 19.920 2.191 -1.577 1.00 0.00 O ATOM 104 OD2 ASP A 6 20.715 0.387 -2.533 1.00 0.00 O ATOM 0 H ASP A 6 19.332 0.226 2.689 1.00 0.00 H new ATOM 0 HA ASP A 6 18.793 0.752 0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 6 21.271 1.255 0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 6 21.494 -0.328 -0.268 1.00 0.00 H new ATOM 109 N LEU A 7 18.320 -2.086 0.801 1.00 0.00 N ATOM 110 CA LEU A 7 17.754 -3.363 0.408 1.00 0.00 C ATOM 111 C LEU A 7 17.081 -3.965 1.634 1.00 0.00 C ATOM 112 O LEU A 7 16.992 -3.306 2.672 1.00 0.00 O ATOM 113 CB LEU A 7 18.857 -4.303 -0.113 1.00 0.00 C ATOM 114 CG LEU A 7 18.373 -5.600 -0.769 1.00 0.00 C ATOM 115 CD1 LEU A 7 17.558 -5.298 -2.016 1.00 0.00 C ATOM 116 CD2 LEU A 7 19.552 -6.497 -1.106 1.00 0.00 C ATOM 0 H LEU A 7 18.157 -1.852 1.780 1.00 0.00 H new ATOM 0 HA LEU A 7 17.030 -3.226 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 7 19.462 -3.756 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 7 19.511 -4.561 0.720 1.00 0.00 H new ATOM 0 HG LEU A 7 17.732 -6.125 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.224 -6.232 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.691 -4.694 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 7 18.174 -4.751 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 7 19.190 -7.414 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 7 20.218 -5.979 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.095 -6.743 -0.193 1.00 0.00 H new ATOM 128 N LEU A 8 16.602 -5.191 1.524 1.00 0.00 N ATOM 129 CA LEU A 8 16.071 -5.904 2.670 1.00 0.00 C ATOM 130 C LEU A 8 16.326 -7.392 2.510 1.00 0.00 C ATOM 131 O LEU A 8 15.713 -8.048 1.673 1.00 0.00 O ATOM 132 CB LEU A 8 14.577 -5.638 2.847 1.00 0.00 C ATOM 133 CG LEU A 8 13.974 -6.203 4.135 1.00 0.00 C ATOM 134 CD1 LEU A 8 14.655 -5.598 5.355 1.00 0.00 C ATOM 135 CD2 LEU A 8 12.479 -5.946 4.178 1.00 0.00 C ATOM 0 H LEU A 8 16.570 -5.715 0.649 1.00 0.00 H new ATOM 0 HA LEU A 8 16.580 -5.543 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.409 -4.561 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.043 -6.061 1.996 1.00 0.00 H new ATOM 0 HG LEU A 8 14.140 -7.280 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.213 -6.012 6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.719 -5.832 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.521 -4.516 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.066 -6.354 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.293 -4.873 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.003 -6.426 3.323 1.00 0.00 H new ATOM 147 N LYS A 9 17.255 -7.904 3.297 1.00 0.00 N ATOM 148 CA LYS A 9 17.626 -9.308 3.230 1.00 0.00 C ATOM 149 C LYS A 9 16.952 -10.077 4.358 1.00 0.00 C ATOM 150 O LYS A 9 16.915 -11.308 4.354 1.00 0.00 O ATOM 151 CB LYS A 9 19.144 -9.447 3.320 1.00 0.00 C ATOM 152 CG LYS A 9 19.888 -8.612 2.289 1.00 0.00 C ATOM 153 CD LYS A 9 21.388 -8.646 2.522 1.00 0.00 C ATOM 154 CE LYS A 9 22.127 -7.739 1.550 1.00 0.00 C ATOM 155 NZ LYS A 9 23.597 -7.773 1.766 1.00 0.00 N ATOM 0 H LYS A 9 17.770 -7.366 3.994 1.00 0.00 H new ATOM 0 HA LYS A 9 17.293 -9.724 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 9 19.470 -9.154 4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 9 19.414 -10.495 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 9 19.666 -8.984 1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 9 19.536 -7.581 2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 9 21.605 -8.338 3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 9 21.750 -9.668 2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 9 21.903 -8.044 0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 9 21.767 -6.716 1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.063 -7.142 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 23.813 -7.457 2.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 23.945 -8.744 1.633 1.00 0.00 H new ATOM 169 N ASP A 10 16.428 -9.335 5.329 1.00 0.00 N ATOM 170 CA ASP A 10 15.684 -9.925 6.436 1.00 0.00 C ATOM 171 C ASP A 10 14.471 -10.679 5.918 1.00 0.00 C ATOM 172 O ASP A 10 14.229 -11.828 6.291 1.00 0.00 O ATOM 173 CB ASP A 10 15.236 -8.844 7.421 1.00 0.00 C ATOM 174 CG ASP A 10 14.331 -9.393 8.506 1.00 0.00 C ATOM 175 OD1 ASP A 10 13.099 -9.389 8.317 1.00 0.00 O ATOM 176 OD2 ASP A 10 14.849 -9.835 9.553 1.00 0.00 O ATOM 0 H ASP A 10 16.506 -8.319 5.371 1.00 0.00 H new ATOM 0 HA ASP A 10 16.343 -10.622 6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.113 -8.387 7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.713 -8.056 6.879 1.00 0.00 H new ATOM 181 N LYS A 11 13.717 -10.022 5.053 1.00 0.00 N ATOM 182 CA LYS A 11 12.556 -10.630 4.430 1.00 0.00 C ATOM 183 C LYS A 11 12.448 -10.149 2.989 1.00 0.00 C ATOM 184 O LYS A 11 12.599 -8.955 2.710 1.00 0.00 O ATOM 185 CB LYS A 11 11.281 -10.296 5.215 1.00 0.00 C ATOM 186 CG LYS A 11 11.001 -8.806 5.339 1.00 0.00 C ATOM 187 CD LYS A 11 9.719 -8.524 6.113 1.00 0.00 C ATOM 188 CE LYS A 11 9.943 -8.463 7.620 1.00 0.00 C ATOM 189 NZ LYS A 11 10.463 -9.736 8.180 1.00 0.00 N ATOM 0 H LYS A 11 13.891 -9.059 4.765 1.00 0.00 H new ATOM 0 HA LYS A 11 12.672 -11.714 4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.431 -10.775 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.359 -10.725 6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.839 -8.321 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.926 -8.368 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.295 -7.579 5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.987 -9.300 5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.644 -7.660 7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.003 -8.213 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.296 -9.758 9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.974 -10.537 7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.484 -9.806 7.994 1.00 0.00 H new ATOM 203 N LEU A 12 12.220 -11.079 2.078 1.00 0.00 N ATOM 204 CA LEU A 12 12.159 -10.755 0.664 1.00 0.00 C ATOM 205 C LEU A 12 11.290 -11.764 -0.073 1.00 0.00 C ATOM 206 O LEU A 12 11.297 -12.953 0.256 1.00 0.00 O ATOM 207 CB LEU A 12 13.572 -10.751 0.062 1.00 0.00 C ATOM 208 CG LEU A 12 13.696 -10.132 -1.334 1.00 0.00 C ATOM 209 CD1 LEU A 12 13.305 -8.662 -1.308 1.00 0.00 C ATOM 210 CD2 LEU A 12 15.113 -10.294 -1.862 1.00 0.00 C ATOM 0 H LEU A 12 12.074 -12.065 2.293 1.00 0.00 H new ATOM 0 HA LEU A 12 11.720 -9.763 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.234 -10.211 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.931 -11.779 0.017 1.00 0.00 H new ATOM 0 HG LEU A 12 13.013 -10.656 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.400 -8.242 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.273 -8.566 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.961 -8.123 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.185 -9.849 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 12 15.811 -9.795 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 12 15.360 -11.354 -1.921 1.00 0.00 H new ATOM 222 N LYS A 13 10.522 -11.271 -1.045 1.00 0.00 N ATOM 223 CA LYS A 13 9.791 -12.129 -1.984 1.00 0.00 C ATOM 224 C LYS A 13 8.684 -12.908 -1.287 1.00 0.00 C ATOM 225 O LYS A 13 8.344 -14.023 -1.695 1.00 0.00 O ATOM 226 CB LYS A 13 10.754 -13.105 -2.658 1.00 0.00 C ATOM 227 CG LYS A 13 11.918 -12.435 -3.363 1.00 0.00 C ATOM 228 CD LYS A 13 13.016 -13.435 -3.663 1.00 0.00 C ATOM 229 CE LYS A 13 13.643 -13.967 -2.384 1.00 0.00 C ATOM 230 NZ LYS A 13 14.593 -15.073 -2.659 1.00 0.00 N ATOM 0 H LYS A 13 10.388 -10.273 -1.205 1.00 0.00 H new ATOM 0 HA LYS A 13 9.333 -11.484 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.144 -13.792 -1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.201 -13.704 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.573 -11.979 -4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.312 -11.632 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.608 -14.263 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.783 -12.963 -4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.164 -13.159 -1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.859 -14.319 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.001 -15.411 -1.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.090 -15.854 -3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.354 -14.731 -3.279 1.00 0.00 H new ATOM 244 N LEU A 14 8.122 -12.317 -0.247 1.00 0.00 N ATOM 245 CA LEU A 14 7.076 -12.952 0.521 1.00 0.00 C ATOM 246 C LEU A 14 5.811 -13.121 -0.319 1.00 0.00 C ATOM 247 O LEU A 14 5.338 -12.166 -0.943 1.00 0.00 O ATOM 248 CB LEU A 14 6.789 -12.119 1.765 1.00 0.00 C ATOM 249 CG LEU A 14 7.992 -11.896 2.688 1.00 0.00 C ATOM 250 CD1 LEU A 14 7.621 -10.974 3.838 1.00 0.00 C ATOM 251 CD2 LEU A 14 8.517 -13.223 3.215 1.00 0.00 C ATOM 0 H LEU A 14 8.380 -11.387 0.084 1.00 0.00 H new ATOM 0 HA LEU A 14 7.408 -13.946 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.405 -11.148 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.998 -12.606 2.335 1.00 0.00 H new ATOM 0 HG LEU A 14 8.783 -11.420 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.488 -10.828 4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.297 -10.011 3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.811 -11.420 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.371 -13.043 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.731 -13.728 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.826 -13.850 2.379 1.00 0.00 H new ATOM 263 N PRO A 15 5.257 -14.347 -0.342 1.00 0.00 N ATOM 264 CA PRO A 15 4.068 -14.689 -1.141 1.00 0.00 C ATOM 265 C PRO A 15 2.884 -13.812 -0.806 1.00 0.00 C ATOM 266 O PRO A 15 2.349 -13.090 -1.648 1.00 0.00 O ATOM 267 CB PRO A 15 3.792 -16.144 -0.753 1.00 0.00 C ATOM 268 CG PRO A 15 5.098 -16.658 -0.279 1.00 0.00 C ATOM 269 CD PRO A 15 5.749 -15.508 0.419 1.00 0.00 C ATOM 0 HA PRO A 15 4.232 -14.544 -2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.033 -16.209 0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.425 -16.718 -1.604 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.966 -17.503 0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.708 -17.008 -1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.461 -15.456 1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.836 -15.580 0.390 1.00 0.00 H new ATOM 277 N VAL A 16 2.470 -13.927 0.419 1.00 0.00 N ATOM 278 CA VAL A 16 1.505 -13.025 1.003 1.00 0.00 C ATOM 279 C VAL A 16 1.818 -12.843 2.480 1.00 0.00 C ATOM 280 O VAL A 16 2.308 -13.756 3.147 1.00 0.00 O ATOM 281 CB VAL A 16 0.049 -13.502 0.817 1.00 0.00 C ATOM 282 CG1 VAL A 16 -0.249 -14.722 1.671 1.00 0.00 C ATOM 283 CG2 VAL A 16 -0.927 -12.361 1.113 1.00 0.00 C ATOM 0 H VAL A 16 2.792 -14.656 1.055 1.00 0.00 H new ATOM 0 HA VAL A 16 1.586 -12.072 0.480 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.081 -13.800 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.283 -15.031 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.419 -15.536 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.098 -14.476 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.950 -12.713 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.792 -12.024 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.735 -11.532 0.432 1.00 0.00 H new ATOM 293 N ILE A 17 1.569 -11.652 2.962 1.00 0.00 N ATOM 294 CA ILE A 17 1.913 -11.269 4.309 1.00 0.00 C ATOM 295 C ILE A 17 0.640 -10.898 5.058 1.00 0.00 C ATOM 296 O ILE A 17 -0.401 -10.678 4.431 1.00 0.00 O ATOM 297 CB ILE A 17 2.887 -10.069 4.279 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.783 -10.159 3.042 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.745 -10.041 5.529 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.742 -8.997 2.887 1.00 0.00 C ATOM 0 H ILE A 17 1.117 -10.912 2.425 1.00 0.00 H new ATOM 0 HA ILE A 17 2.402 -12.100 4.817 1.00 0.00 H new ATOM 0 HB ILE A 17 2.301 -9.151 4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.356 -11.085 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.153 -10.217 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.423 -9.188 5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.106 -9.953 6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.324 -10.962 5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.340 -9.137 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.178 -8.068 2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.399 -8.949 3.756 1.00 0.00 H new ATOM 312 N ASP A 18 0.714 -10.855 6.381 1.00 0.00 N ATOM 313 CA ASP A 18 -0.444 -10.515 7.205 1.00 0.00 C ATOM 314 C ASP A 18 -1.050 -9.186 6.780 1.00 0.00 C ATOM 315 O ASP A 18 -0.331 -8.242 6.438 1.00 0.00 O ATOM 316 CB ASP A 18 -0.067 -10.459 8.689 1.00 0.00 C ATOM 317 CG ASP A 18 0.136 -11.833 9.295 1.00 0.00 C ATOM 318 OD1 ASP A 18 -0.868 -12.502 9.614 1.00 0.00 O ATOM 319 OD2 ASP A 18 1.298 -12.250 9.460 1.00 0.00 O ATOM 0 H ASP A 18 1.564 -11.051 6.910 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.186 -11.300 7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.847 -9.877 8.805 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.850 -9.936 9.239 1.00 0.00 H new ATOM 324 N ASN A 19 -2.373 -9.117 6.790 1.00 0.00 N ATOM 325 CA ASN A 19 -3.067 -7.887 6.437 1.00 0.00 C ATOM 326 C ASN A 19 -2.815 -6.823 7.497 1.00 0.00 C ATOM 327 O ASN A 19 -2.866 -5.631 7.212 1.00 0.00 O ATOM 328 CB ASN A 19 -4.574 -8.119 6.244 1.00 0.00 C ATOM 329 CG ASN A 19 -5.303 -8.528 7.512 1.00 0.00 C ATOM 330 OD1 ASN A 19 -4.754 -9.209 8.381 1.00 0.00 O ATOM 331 ND2 ASN A 19 -6.554 -8.112 7.625 1.00 0.00 N ATOM 0 H ASN A 19 -2.985 -9.894 7.037 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.670 -7.538 5.484 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.025 -7.206 5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.719 -8.891 5.489 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.099 -8.353 8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.973 -7.550 6.884 1.00 0.00 H new ATOM 338 N LEU A 20 -2.522 -7.269 8.714 1.00 0.00 N ATOM 339 CA LEU A 20 -2.122 -6.379 9.787 1.00 0.00 C ATOM 340 C LEU A 20 -0.753 -5.777 9.491 1.00 0.00 C ATOM 341 O LEU A 20 -0.549 -4.573 9.641 1.00 0.00 O ATOM 342 CB LEU A 20 -2.092 -7.142 11.111 1.00 0.00 C ATOM 343 CG LEU A 20 -1.423 -6.404 12.266 1.00 0.00 C ATOM 344 CD1 LEU A 20 -2.190 -5.136 12.618 1.00 0.00 C ATOM 345 CD2 LEU A 20 -1.299 -7.315 13.474 1.00 0.00 C ATOM 0 H LEU A 20 -2.556 -8.253 8.979 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.847 -5.568 9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.116 -7.382 11.398 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.574 -8.088 10.956 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.421 -6.111 11.952 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.693 -4.628 13.444 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.219 -4.476 11.751 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.207 -5.396 12.911 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.820 -6.774 14.290 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.291 -7.640 13.788 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.697 -8.186 13.213 1.00 0.00 H new ATOM 357 N PHE A 21 0.178 -6.624 9.053 1.00 0.00 N ATOM 358 CA PHE A 21 1.509 -6.169 8.666 1.00 0.00 C ATOM 359 C PHE A 21 1.394 -5.166 7.526 1.00 0.00 C ATOM 360 O PHE A 21 2.138 -4.187 7.461 1.00 0.00 O ATOM 361 CB PHE A 21 2.382 -7.355 8.242 1.00 0.00 C ATOM 362 CG PHE A 21 3.775 -6.969 7.817 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.782 -6.815 8.755 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.075 -6.760 6.479 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.061 -6.464 8.368 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.352 -6.408 6.087 1.00 0.00 C ATOM 367 CZ PHE A 21 6.346 -6.259 7.033 1.00 0.00 C ATOM 0 H PHE A 21 0.033 -7.629 8.958 1.00 0.00 H new ATOM 0 HA PHE A 21 1.980 -5.688 9.523 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.448 -8.059 9.071 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.893 -7.877 7.419 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.565 -6.971 9.801 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.301 -6.874 5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.838 -6.350 9.110 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.572 -6.250 5.042 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.345 -5.983 6.729 1.00 0.00 H new ATOM 377 N GLY A 22 0.446 -5.418 6.633 1.00 0.00 N ATOM 378 CA GLY A 22 0.174 -4.487 5.567 1.00 0.00 C ATOM 379 C GLY A 22 -0.415 -3.204 6.104 1.00 0.00 C ATOM 380 O GLY A 22 0.078 -2.121 5.807 1.00 0.00 O ATOM 0 H GLY A 22 -0.138 -6.254 6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.095 -4.270 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.516 -4.937 4.854 1.00 0.00 H new ATOM 384 N LYS A 23 -1.461 -3.337 6.916 1.00 0.00 N ATOM 385 CA LYS A 23 -2.137 -2.191 7.517 1.00 0.00 C ATOM 386 C LYS A 23 -1.122 -1.290 8.210 1.00 0.00 C ATOM 387 O LYS A 23 -1.260 -0.070 8.214 1.00 0.00 O ATOM 388 CB LYS A 23 -3.187 -2.670 8.522 1.00 0.00 C ATOM 389 CG LYS A 23 -4.629 -2.296 8.173 1.00 0.00 C ATOM 390 CD LYS A 23 -5.194 -3.124 7.020 1.00 0.00 C ATOM 391 CE LYS A 23 -6.718 -3.091 6.997 1.00 0.00 C ATOM 392 NZ LYS A 23 -7.274 -1.708 6.973 1.00 0.00 N ATOM 0 H LYS A 23 -1.862 -4.238 7.175 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.634 -1.622 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.119 -3.754 8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.947 -2.257 9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.258 -2.431 9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.672 -1.239 7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.807 -2.743 6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.854 -4.155 7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.074 -3.634 6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.100 -3.614 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.937 -1.587 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.499 -1.021 7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.775 -1.551 6.075 1.00 0.00 H new ATOM 406 N GLU A 24 -0.107 -1.920 8.789 1.00 0.00 N ATOM 407 CA GLU A 24 1.027 -1.239 9.364 1.00 0.00 C ATOM 408 C GLU A 24 1.763 -0.405 8.323 1.00 0.00 C ATOM 409 O GLU A 24 1.865 0.805 8.469 1.00 0.00 O ATOM 410 CB GLU A 24 1.958 -2.276 9.962 1.00 0.00 C ATOM 411 CG GLU A 24 1.781 -2.452 11.451 1.00 0.00 C ATOM 412 CD GLU A 24 2.386 -1.315 12.249 1.00 0.00 C ATOM 413 OE1 GLU A 24 3.434 -1.527 12.893 1.00 0.00 O ATOM 414 OE2 GLU A 24 1.825 -0.202 12.224 1.00 0.00 O ATOM 0 H GLU A 24 -0.056 -2.936 8.869 1.00 0.00 H new ATOM 0 HA GLU A 24 0.678 -0.555 10.137 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.790 -3.233 9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.989 -1.989 9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.718 -2.526 11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.240 -3.391 11.759 1.00 0.00 H new ATOM 421 N LEU A 25 2.263 -1.060 7.274 1.00 0.00 N ATOM 422 CA LEU A 25 2.983 -0.375 6.197 1.00 0.00 C ATOM 423 C LEU A 25 2.211 0.846 5.730 1.00 0.00 C ATOM 424 O LEU A 25 2.707 1.977 5.746 1.00 0.00 O ATOM 425 CB LEU A 25 3.146 -1.299 4.993 1.00 0.00 C ATOM 426 CG LEU A 25 3.851 -2.623 5.235 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.743 -3.490 3.991 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.307 -2.399 5.611 1.00 0.00 C ATOM 0 H LEU A 25 2.182 -2.069 7.146 1.00 0.00 H new ATOM 0 HA LEU A 25 3.956 -0.082 6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.155 -1.510 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.694 -0.758 4.222 1.00 0.00 H new ATOM 0 HG LEU A 25 3.369 -3.135 6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.249 -4.440 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.693 -3.674 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.210 -2.979 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.791 -3.361 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.815 -1.874 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.360 -1.802 6.521 1.00 0.00 H new ATOM 440 N LEU A 26 0.977 0.591 5.331 1.00 0.00 N ATOM 441 CA LEU A 26 0.120 1.613 4.780 1.00 0.00 C ATOM 442 C LEU A 26 -0.165 2.689 5.818 1.00 0.00 C ATOM 443 O LEU A 26 -0.398 3.837 5.477 1.00 0.00 O ATOM 444 CB LEU A 26 -1.179 0.989 4.266 1.00 0.00 C ATOM 445 CG LEU A 26 -1.060 0.179 2.963 1.00 0.00 C ATOM 446 CD1 LEU A 26 -0.239 -1.075 3.159 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.435 -0.159 2.421 1.00 0.00 C ATOM 0 H LEU A 26 0.546 -0.332 5.382 1.00 0.00 H new ATOM 0 HA LEU A 26 0.630 2.085 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.579 0.337 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.907 1.785 4.112 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.540 0.799 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.177 -1.620 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.764 -0.805 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.711 -1.705 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.332 -0.732 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.981 -0.750 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.982 0.761 2.217 1.00 0.00 H new ATOM 459 N ASP A 27 -0.137 2.303 7.087 1.00 0.00 N ATOM 460 CA ASP A 27 -0.278 3.254 8.198 1.00 0.00 C ATOM 461 C ASP A 27 0.876 4.256 8.207 1.00 0.00 C ATOM 462 O ASP A 27 0.661 5.454 8.396 1.00 0.00 O ATOM 463 CB ASP A 27 -0.333 2.515 9.541 1.00 0.00 C ATOM 464 CG ASP A 27 -0.449 3.442 10.737 1.00 0.00 C ATOM 465 OD1 ASP A 27 0.595 3.883 11.262 1.00 0.00 O ATOM 466 OD2 ASP A 27 -1.585 3.713 11.178 1.00 0.00 O ATOM 0 H ASP A 27 -0.017 1.333 7.380 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.212 3.797 8.054 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.183 1.832 9.537 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.565 1.906 9.649 1.00 0.00 H new ATOM 471 N LYS A 28 2.100 3.768 7.990 1.00 0.00 N ATOM 472 CA LYS A 28 3.269 4.652 7.917 1.00 0.00 C ATOM 473 C LYS A 28 3.172 5.557 6.695 1.00 0.00 C ATOM 474 O LYS A 28 3.833 6.593 6.620 1.00 0.00 O ATOM 475 CB LYS A 28 4.593 3.876 7.832 1.00 0.00 C ATOM 476 CG LYS A 28 5.018 3.148 9.099 1.00 0.00 C ATOM 477 CD LYS A 28 4.433 1.753 9.155 1.00 0.00 C ATOM 478 CE LYS A 28 5.123 0.878 10.186 1.00 0.00 C ATOM 479 NZ LYS A 28 5.066 1.457 11.552 1.00 0.00 N ATOM 0 H LYS A 28 2.308 2.777 7.863 1.00 0.00 H new ATOM 0 HA LYS A 28 3.268 5.237 8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.513 3.146 7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.383 4.573 7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.106 3.090 9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.696 3.715 9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.370 1.817 9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.516 1.287 8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.656 -0.107 10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.165 0.735 9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.460 0.777 12.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.621 2.336 11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.077 1.664 11.801 1.00 0.00 H new ATOM 493 N PHE A 29 2.374 5.138 5.724 1.00 0.00 N ATOM 494 CA PHE A 29 2.213 5.897 4.493 1.00 0.00 C ATOM 495 C PHE A 29 0.868 6.584 4.397 1.00 0.00 C ATOM 496 O PHE A 29 0.588 7.209 3.393 1.00 0.00 O ATOM 497 CB PHE A 29 2.362 4.989 3.284 1.00 0.00 C ATOM 498 CG PHE A 29 3.768 4.599 3.008 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.272 3.413 3.496 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.582 5.418 2.252 1.00 0.00 C ATOM 501 CE1 PHE A 29 5.571 3.047 3.236 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.882 5.061 1.989 1.00 0.00 C ATOM 503 CZ PHE A 29 6.377 3.873 2.477 1.00 0.00 C ATOM 0 H PHE A 29 1.828 4.277 5.765 1.00 0.00 H new ATOM 0 HA PHE A 29 2.992 6.659 4.508 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.767 4.089 3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.954 5.493 2.408 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.641 2.766 4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.193 6.348 1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.960 2.117 3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.514 5.710 1.401 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.397 3.586 2.266 1.00 0.00 H new ATOM 513 N GLN A 30 0.043 6.472 5.419 1.00 0.00 N ATOM 514 CA GLN A 30 -1.311 6.971 5.366 1.00 0.00 C ATOM 515 C GLN A 30 -1.376 8.424 4.894 1.00 0.00 C ATOM 516 O GLN A 30 -2.197 8.769 4.045 1.00 0.00 O ATOM 517 CB GLN A 30 -1.949 6.825 6.732 1.00 0.00 C ATOM 518 CG GLN A 30 -3.374 7.258 6.748 1.00 0.00 C ATOM 519 CD GLN A 30 -3.944 7.365 8.144 1.00 0.00 C ATOM 520 OE1 GLN A 30 -3.220 7.639 9.098 1.00 0.00 O ATOM 521 NE2 GLN A 30 -5.245 7.171 8.279 1.00 0.00 N ATOM 0 H GLN A 30 0.294 6.034 6.305 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.862 6.380 4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.886 5.784 7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.386 7.413 7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.460 8.225 6.252 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.970 6.550 6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.814 6.945 7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.679 7.247 9.199 1.00 0.00 H new ATOM 530 N ASP A 31 -0.497 9.264 5.421 1.00 0.00 N ATOM 531 CA ASP A 31 -0.458 10.669 5.025 1.00 0.00 C ATOM 532 C ASP A 31 0.051 10.814 3.600 1.00 0.00 C ATOM 533 O ASP A 31 -0.414 11.667 2.852 1.00 0.00 O ATOM 534 CB ASP A 31 0.433 11.482 5.965 1.00 0.00 C ATOM 535 CG ASP A 31 -0.148 11.624 7.355 1.00 0.00 C ATOM 536 OD1 ASP A 31 -0.964 12.542 7.574 1.00 0.00 O ATOM 537 OD2 ASP A 31 0.222 10.825 8.243 1.00 0.00 O ATOM 0 H ASP A 31 0.197 9.001 6.121 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.477 11.052 5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.411 11.005 6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.591 12.473 5.540 1.00 0.00 H new ATOM 542 N ASP A 32 0.989 9.957 3.232 1.00 0.00 N ATOM 543 CA ASP A 32 1.601 9.982 1.903 1.00 0.00 C ATOM 544 C ASP A 32 0.592 9.512 0.861 1.00 0.00 C ATOM 545 O ASP A 32 0.421 10.120 -0.196 1.00 0.00 O ATOM 546 CB ASP A 32 2.829 9.072 1.887 1.00 0.00 C ATOM 547 CG ASP A 32 3.696 9.249 0.658 1.00 0.00 C ATOM 548 OD1 ASP A 32 3.492 8.519 -0.327 1.00 0.00 O ATOM 549 OD2 ASP A 32 4.608 10.109 0.689 1.00 0.00 O ATOM 0 H ASP A 32 1.351 9.223 3.841 1.00 0.00 H new ATOM 0 HA ASP A 32 1.907 11.001 1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.428 9.268 2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.503 8.034 1.945 1.00 0.00 H new ATOM 554 N ILE A 33 -0.087 8.430 1.201 1.00 0.00 N ATOM 555 CA ILE A 33 -1.139 7.855 0.383 1.00 0.00 C ATOM 556 C ILE A 33 -2.277 8.848 0.196 1.00 0.00 C ATOM 557 O ILE A 33 -2.831 8.987 -0.891 1.00 0.00 O ATOM 558 CB ILE A 33 -1.680 6.566 1.046 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.575 5.509 1.106 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.888 6.039 0.290 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.955 4.258 1.866 1.00 0.00 C ATOM 0 H ILE A 33 0.081 7.919 2.067 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.720 7.613 -0.594 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.997 6.800 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.297 5.232 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.308 5.948 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.252 5.132 0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.675 6.793 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.604 5.813 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.117 3.561 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.204 4.519 2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.818 3.792 1.391 1.00 0.00 H new ATOM 573 N LYS A 34 -2.600 9.555 1.261 1.00 0.00 N ATOM 574 CA LYS A 34 -3.689 10.512 1.248 1.00 0.00 C ATOM 575 C LYS A 34 -3.244 11.801 0.580 1.00 0.00 C ATOM 576 O LYS A 34 -4.055 12.592 0.101 1.00 0.00 O ATOM 577 CB LYS A 34 -4.142 10.759 2.680 1.00 0.00 C ATOM 578 CG LYS A 34 -5.390 11.618 2.804 1.00 0.00 C ATOM 579 CD LYS A 34 -5.890 11.691 4.241 1.00 0.00 C ATOM 580 CE LYS A 34 -4.862 12.308 5.182 1.00 0.00 C ATOM 581 NZ LYS A 34 -4.518 13.706 4.805 1.00 0.00 N ATOM 0 H LYS A 34 -2.117 9.483 2.157 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.528 10.117 0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.328 9.798 3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.330 11.238 3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.176 12.624 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.175 11.211 2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.808 12.278 4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.140 10.688 4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.250 12.294 6.200 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.957 11.700 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.923 14.129 5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.000 13.705 3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.391 14.263 4.702 1.00 0.00 H new ATOM 595 N ASP A 35 -1.945 11.995 0.550 1.00 0.00 N ATOM 596 CA ASP A 35 -1.358 13.145 -0.116 1.00 0.00 C ATOM 597 C ASP A 35 -1.335 12.940 -1.625 1.00 0.00 C ATOM 598 O ASP A 35 -1.747 13.810 -2.390 1.00 0.00 O ATOM 599 CB ASP A 35 0.057 13.392 0.396 1.00 0.00 C ATOM 600 CG ASP A 35 0.665 14.659 -0.164 1.00 0.00 C ATOM 601 OD1 ASP A 35 0.302 15.753 0.316 1.00 0.00 O ATOM 602 OD2 ASP A 35 1.518 14.566 -1.072 1.00 0.00 O ATOM 0 H ASP A 35 -1.266 11.368 0.982 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.973 14.017 0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.041 13.451 1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.688 12.543 0.133 1.00 0.00 H new ATOM 607 N LYS A 36 -0.859 11.776 -2.044 1.00 0.00 N ATOM 608 CA LYS A 36 -0.729 11.461 -3.460 1.00 0.00 C ATOM 609 C LYS A 36 -2.040 10.986 -4.079 1.00 0.00 C ATOM 610 O LYS A 36 -2.313 11.263 -5.244 1.00 0.00 O ATOM 611 CB LYS A 36 0.346 10.396 -3.664 1.00 0.00 C ATOM 612 CG LYS A 36 1.759 10.937 -3.594 1.00 0.00 C ATOM 613 CD LYS A 36 2.660 10.023 -2.799 1.00 0.00 C ATOM 614 CE LYS A 36 2.697 8.605 -3.356 1.00 0.00 C ATOM 615 NZ LYS A 36 3.358 8.528 -4.685 1.00 0.00 N ATOM 0 H LYS A 36 -0.555 11.030 -1.419 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.444 12.384 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.225 9.621 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.196 9.921 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.156 11.054 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.749 11.927 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.670 10.432 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.319 9.994 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.223 7.957 -2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.679 8.225 -3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.356 7.542 -5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.842 9.123 -5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.339 8.864 -4.605 1.00 0.00 H new ATOM 629 N TYR A 37 -2.845 10.259 -3.314 1.00 0.00 N ATOM 630 CA TYR A 37 -4.039 9.624 -3.872 1.00 0.00 C ATOM 631 C TYR A 37 -5.307 10.030 -3.123 1.00 0.00 C ATOM 632 O TYR A 37 -6.401 10.004 -3.687 1.00 0.00 O ATOM 633 CB TYR A 37 -3.880 8.100 -3.834 1.00 0.00 C ATOM 634 CG TYR A 37 -2.547 7.618 -4.362 1.00 0.00 C ATOM 635 CD1 TYR A 37 -2.281 7.586 -5.725 1.00 0.00 C ATOM 636 CD2 TYR A 37 -1.550 7.198 -3.488 1.00 0.00 C ATOM 637 CE1 TYR A 37 -1.057 7.150 -6.202 1.00 0.00 C ATOM 638 CE2 TYR A 37 -0.329 6.761 -3.958 1.00 0.00 C ATOM 639 CZ TYR A 37 -0.085 6.739 -5.314 1.00 0.00 C ATOM 640 OH TYR A 37 1.135 6.305 -5.780 1.00 0.00 O ATOM 0 H TYR A 37 -2.699 10.094 -2.318 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.142 9.963 -4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.001 7.756 -2.807 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.679 7.645 -4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.041 7.906 -6.423 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.735 7.214 -2.424 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.864 7.132 -7.264 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.434 6.437 -3.265 1.00 0.00 H new ATOM 0 HH TYR A 37 1.704 6.053 -5.023 1.00 0.00 H new ATOM 650 N GLY A 38 -5.162 10.391 -1.857 1.00 0.00 N ATOM 651 CA GLY A 38 -6.317 10.755 -1.054 1.00 0.00 C ATOM 652 C GLY A 38 -7.078 9.536 -0.568 1.00 0.00 C ATOM 653 O GLY A 38 -8.226 9.311 -0.962 1.00 0.00 O ATOM 0 H GLY A 38 -4.267 10.439 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.991 11.345 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.982 11.387 -1.642 1.00 0.00 H new ATOM 657 N VAL A 39 -6.429 8.738 0.273 1.00 0.00 N ATOM 658 CA VAL A 39 -7.005 7.501 0.770 1.00 0.00 C ATOM 659 C VAL A 39 -6.818 7.384 2.282 1.00 0.00 C ATOM 660 O VAL A 39 -5.853 7.911 2.835 1.00 0.00 O ATOM 661 CB VAL A 39 -6.317 6.286 0.121 1.00 0.00 C ATOM 662 CG1 VAL A 39 -7.034 4.999 0.473 1.00 0.00 C ATOM 663 CG2 VAL A 39 -6.208 6.445 -1.389 1.00 0.00 C ATOM 0 H VAL A 39 -5.492 8.933 0.626 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.066 7.516 0.522 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.306 6.234 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.526 4.158 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.030 4.864 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.063 5.047 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.717 5.569 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.205 6.545 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.623 7.335 -1.620 1.00 0.00 H new ATOM 673 N ASP A 40 -7.739 6.693 2.935 1.00 0.00 N ATOM 674 CA ASP A 40 -7.587 6.335 4.341 1.00 0.00 C ATOM 675 C ASP A 40 -7.255 4.855 4.466 1.00 0.00 C ATOM 676 O ASP A 40 -8.040 3.998 4.058 1.00 0.00 O ATOM 677 CB ASP A 40 -8.853 6.644 5.137 1.00 0.00 C ATOM 678 CG ASP A 40 -8.791 6.067 6.540 1.00 0.00 C ATOM 679 OD1 ASP A 40 -9.755 5.395 6.958 1.00 0.00 O ATOM 680 OD2 ASP A 40 -7.763 6.256 7.226 1.00 0.00 O ATOM 0 H ASP A 40 -8.607 6.366 2.512 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.773 6.932 4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.992 7.724 5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.719 6.238 4.615 1.00 0.00 H new ATOM 685 N THR A 41 -6.101 4.562 5.044 1.00 0.00 N ATOM 686 CA THR A 41 -5.609 3.198 5.136 1.00 0.00 C ATOM 687 C THR A 41 -6.350 2.394 6.201 1.00 0.00 C ATOM 688 O THR A 41 -6.336 1.160 6.181 1.00 0.00 O ATOM 689 CB THR A 41 -4.107 3.197 5.441 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.857 3.944 6.636 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.337 3.813 4.289 1.00 0.00 C ATOM 0 H THR A 41 -5.483 5.259 5.460 1.00 0.00 H new ATOM 0 HA THR A 41 -5.789 2.722 4.172 1.00 0.00 H new ATOM 0 HB THR A 41 -3.777 2.167 5.578 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.175 3.487 7.171 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.271 3.806 4.519 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.516 3.236 3.382 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.669 4.840 4.138 1.00 0.00 H new ATOM 699 N LYS A 42 -7.000 3.095 7.123 1.00 0.00 N ATOM 700 CA LYS A 42 -7.772 2.444 8.163 1.00 0.00 C ATOM 701 C LYS A 42 -8.992 1.758 7.561 1.00 0.00 C ATOM 702 O LYS A 42 -9.315 0.622 7.904 1.00 0.00 O ATOM 703 CB LYS A 42 -8.200 3.463 9.218 1.00 0.00 C ATOM 704 CG LYS A 42 -7.041 4.047 10.013 1.00 0.00 C ATOM 705 CD LYS A 42 -7.516 4.976 11.127 1.00 0.00 C ATOM 706 CE LYS A 42 -7.819 6.389 10.631 1.00 0.00 C ATOM 707 NZ LYS A 42 -8.946 6.435 9.662 1.00 0.00 N ATOM 0 H LYS A 42 -7.005 4.114 7.168 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.150 1.688 8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.738 4.275 8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.898 2.987 9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.453 3.236 10.444 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.382 4.596 9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.412 4.557 11.586 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.753 5.024 11.904 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.054 7.025 11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.926 6.803 10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.327 7.402 9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.606 6.154 8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.694 5.781 9.969 1.00 0.00 H new ATOM 721 N ASP A 43 -9.655 2.447 6.644 1.00 0.00 N ATOM 722 CA ASP A 43 -10.809 1.884 5.959 1.00 0.00 C ATOM 723 C ASP A 43 -10.366 1.001 4.803 1.00 0.00 C ATOM 724 O ASP A 43 -10.991 -0.019 4.515 1.00 0.00 O ATOM 725 CB ASP A 43 -11.715 2.994 5.442 1.00 0.00 C ATOM 726 CG ASP A 43 -12.945 2.456 4.742 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.840 1.926 5.430 1.00 0.00 O ATOM 728 OD2 ASP A 43 -13.039 2.595 3.508 1.00 0.00 O ATOM 0 H ASP A 43 -9.414 3.396 6.357 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.365 1.277 6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.022 3.626 6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.155 3.625 4.752 1.00 0.00 H new ATOM 733 N LEU A 44 -9.278 1.408 4.157 1.00 0.00 N ATOM 734 CA LEU A 44 -8.705 0.675 3.036 1.00 0.00 C ATOM 735 C LEU A 44 -8.511 -0.789 3.392 1.00 0.00 C ATOM 736 O LEU A 44 -7.801 -1.124 4.342 1.00 0.00 O ATOM 737 CB LEU A 44 -7.371 1.297 2.656 1.00 0.00 C ATOM 738 CG LEU A 44 -6.818 0.905 1.298 1.00 0.00 C ATOM 739 CD1 LEU A 44 -7.748 1.392 0.199 1.00 0.00 C ATOM 740 CD2 LEU A 44 -5.432 1.497 1.125 1.00 0.00 C ATOM 0 H LEU A 44 -8.768 2.258 4.398 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.391 0.733 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.477 2.381 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.638 1.029 3.416 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.748 -0.181 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.344 1.107 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.732 0.942 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.836 2.477 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.035 1.215 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.489 2.583 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.774 1.118 1.907 1.00 0.00 H new ATOM 752 N LYS A 45 -9.137 -1.648 2.620 1.00 0.00 N ATOM 753 CA LYS A 45 -9.198 -3.059 2.940 1.00 0.00 C ATOM 754 C LYS A 45 -8.037 -3.803 2.315 1.00 0.00 C ATOM 755 O LYS A 45 -7.949 -3.911 1.097 1.00 0.00 O ATOM 756 CB LYS A 45 -10.509 -3.641 2.434 1.00 0.00 C ATOM 757 CG LYS A 45 -10.679 -5.113 2.738 1.00 0.00 C ATOM 758 CD LYS A 45 -11.779 -5.716 1.892 1.00 0.00 C ATOM 759 CE LYS A 45 -12.058 -7.161 2.272 1.00 0.00 C ATOM 760 NZ LYS A 45 -12.502 -7.287 3.686 1.00 0.00 N ATOM 0 H LYS A 45 -9.616 -1.392 1.757 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.139 -3.171 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.337 -3.089 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.570 -3.492 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.742 -5.638 2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.913 -5.246 3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.689 -5.128 2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.498 -5.665 0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.825 -7.568 1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.158 -7.757 2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.951 -8.214 3.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.680 -7.201 4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.186 -6.534 3.904 1.00 0.00 H new ATOM 774 N ILE A 46 -7.160 -4.337 3.142 1.00 0.00 N ATOM 775 CA ILE A 46 -5.991 -5.016 2.629 1.00 0.00 C ATOM 776 C ILE A 46 -6.282 -6.479 2.343 1.00 0.00 C ATOM 777 O ILE A 46 -6.763 -7.217 3.204 1.00 0.00 O ATOM 778 CB ILE A 46 -4.784 -4.878 3.561 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.397 -3.400 3.640 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.623 -5.728 3.058 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.090 -3.143 4.332 1.00 0.00 C ATOM 0 H ILE A 46 -7.234 -4.314 4.159 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.734 -4.527 1.689 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.039 -5.236 4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.346 -2.995 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.185 -2.857 4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.773 -5.618 3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.926 -6.774 3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.338 -5.400 2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.890 -2.072 4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.141 -3.515 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.289 -3.655 3.799 1.00 0.00 H new ATOM 793 N LEU A 47 -5.992 -6.874 1.118 1.00 0.00 N ATOM 794 CA LEU A 47 -6.280 -8.214 0.644 1.00 0.00 C ATOM 795 C LEU A 47 -5.019 -9.062 0.672 1.00 0.00 C ATOM 796 O LEU A 47 -4.977 -10.131 1.282 1.00 0.00 O ATOM 797 CB LEU A 47 -6.797 -8.142 -0.792 1.00 0.00 C ATOM 798 CG LEU A 47 -7.773 -6.998 -1.080 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.153 -6.982 -2.551 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.017 -7.116 -0.214 1.00 0.00 C ATOM 0 H LEU A 47 -5.549 -6.274 0.422 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.032 -8.664 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.944 -8.047 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.288 -9.085 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.276 -6.059 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.847 -6.163 -2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.257 -6.844 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.628 -7.927 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.695 -6.292 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.516 -8.063 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.733 -7.078 0.838 1.00 0.00 H new ATOM 812 N LYS A 48 -3.982 -8.558 0.019 1.00 0.00 N ATOM 813 CA LYS A 48 -2.762 -9.301 -0.179 1.00 0.00 C ATOM 814 C LYS A 48 -1.551 -8.406 0.004 1.00 0.00 C ATOM 815 O LYS A 48 -1.135 -7.706 -0.921 1.00 0.00 O ATOM 816 CB LYS A 48 -2.744 -9.920 -1.579 1.00 0.00 C ATOM 817 CG LYS A 48 -1.473 -10.693 -1.896 1.00 0.00 C ATOM 818 CD LYS A 48 -1.595 -11.445 -3.210 1.00 0.00 C ATOM 819 CE LYS A 48 -0.295 -12.141 -3.585 1.00 0.00 C ATOM 820 NZ LYS A 48 0.766 -11.175 -3.976 1.00 0.00 N ATOM 0 H LYS A 48 -3.970 -7.622 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.721 -10.096 0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.599 -10.589 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.869 -9.128 -2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.629 -10.004 -1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.263 -11.397 -1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.394 -12.183 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.877 -10.751 -4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.052 -12.738 -2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.478 -12.830 -4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.605 -11.695 -4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.415 -10.565 -4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.021 -10.589 -3.156 1.00 0.00 H new ATOM 834 N THR A 49 -1.023 -8.388 1.211 1.00 0.00 N ATOM 835 CA THR A 49 0.275 -7.796 1.449 1.00 0.00 C ATOM 836 C THR A 49 1.316 -8.755 0.904 1.00 0.00 C ATOM 837 O THR A 49 1.171 -9.958 1.070 1.00 0.00 O ATOM 838 CB THR A 49 0.528 -7.580 2.953 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.656 -7.078 3.585 1.00 0.00 O ATOM 840 CG2 THR A 49 1.675 -6.605 3.173 1.00 0.00 C ATOM 0 H THR A 49 -1.473 -8.776 2.040 1.00 0.00 H new ATOM 0 HA THR A 49 0.326 -6.823 0.960 1.00 0.00 H new ATOM 0 HB THR A 49 0.795 -8.540 3.394 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.683 -7.380 4.517 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.836 -6.468 4.242 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.582 -7.002 2.718 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.430 -5.646 2.717 1.00 0.00 H new ATOM 848 N SER A 50 2.330 -8.255 0.227 1.00 0.00 N ATOM 849 CA SER A 50 3.378 -9.123 -0.287 1.00 0.00 C ATOM 850 C SER A 50 4.533 -8.312 -0.834 1.00 0.00 C ATOM 851 O SER A 50 4.605 -7.106 -0.619 1.00 0.00 O ATOM 852 CB SER A 50 2.817 -10.040 -1.377 1.00 0.00 C ATOM 853 OG SER A 50 1.942 -9.333 -2.249 1.00 0.00 O ATOM 0 H SER A 50 2.453 -7.264 0.020 1.00 0.00 H new ATOM 0 HA SER A 50 3.748 -9.733 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.638 -10.469 -1.952 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.282 -10.870 -0.916 1.00 0.00 H new ATOM 0 HG SER A 50 1.984 -8.375 -2.048 1.00 0.00 H new ATOM 859 N GLU A 51 5.436 -8.989 -1.521 1.00 0.00 N ATOM 860 CA GLU A 51 6.553 -8.341 -2.185 1.00 0.00 C ATOM 861 C GLU A 51 7.192 -9.309 -3.167 1.00 0.00 C ATOM 862 O GLU A 51 6.890 -10.505 -3.147 1.00 0.00 O ATOM 863 CB GLU A 51 7.589 -7.857 -1.170 1.00 0.00 C ATOM 864 CG GLU A 51 8.108 -8.945 -0.253 1.00 0.00 C ATOM 865 CD GLU A 51 9.349 -8.510 0.481 1.00 0.00 C ATOM 866 OE1 GLU A 51 9.267 -8.188 1.681 1.00 0.00 O ATOM 867 OE2 GLU A 51 10.418 -8.465 -0.158 1.00 0.00 O ATOM 0 H GLU A 51 5.416 -10.002 -1.634 1.00 0.00 H new ATOM 0 HA GLU A 51 6.180 -7.470 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.430 -7.416 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.147 -7.066 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.335 -9.214 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.325 -9.840 -0.836 1.00 0.00 H new ATOM 874 N ASP A 52 8.065 -8.804 -4.024 1.00 0.00 N ATOM 875 CA ASP A 52 8.709 -9.649 -5.024 1.00 0.00 C ATOM 876 C ASP A 52 10.139 -9.197 -5.294 1.00 0.00 C ATOM 877 O ASP A 52 11.095 -9.808 -4.816 1.00 0.00 O ATOM 878 CB ASP A 52 7.903 -9.653 -6.327 1.00 0.00 C ATOM 879 CG ASP A 52 8.430 -10.651 -7.340 1.00 0.00 C ATOM 880 OD1 ASP A 52 8.464 -11.854 -7.022 1.00 0.00 O ATOM 881 OD2 ASP A 52 8.779 -10.245 -8.465 1.00 0.00 O ATOM 0 H ASP A 52 8.344 -7.823 -4.050 1.00 0.00 H new ATOM 0 HA ASP A 52 8.743 -10.663 -4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.861 -9.884 -6.104 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.922 -8.654 -6.764 1.00 0.00 H new ATOM 886 N LYS A 53 10.285 -8.118 -6.046 1.00 0.00 N ATOM 887 CA LYS A 53 11.603 -7.621 -6.414 1.00 0.00 C ATOM 888 C LYS A 53 11.878 -6.277 -5.763 1.00 0.00 C ATOM 889 O LYS A 53 11.664 -5.239 -6.376 1.00 0.00 O ATOM 890 CB LYS A 53 11.719 -7.494 -7.925 1.00 0.00 C ATOM 891 CG LYS A 53 11.481 -8.798 -8.646 1.00 0.00 C ATOM 892 CD LYS A 53 11.834 -8.683 -10.107 1.00 0.00 C ATOM 893 CE LYS A 53 11.521 -9.967 -10.851 1.00 0.00 C ATOM 894 NZ LYS A 53 10.078 -10.316 -10.780 1.00 0.00 N ATOM 0 H LYS A 53 9.508 -7.569 -6.414 1.00 0.00 H new ATOM 0 HA LYS A 53 12.343 -8.337 -6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.001 -6.754 -8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.712 -7.121 -8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.077 -9.586 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.435 -9.088 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.280 -7.857 -10.553 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.894 -8.449 -10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.817 -9.862 -11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.112 -10.782 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.864 -11.052 -11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.853 -10.671 -9.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.506 -9.470 -10.978 1.00 0.00 H new ATOM 908 N ARG A 54 12.310 -6.311 -4.501 1.00 0.00 N ATOM 909 CA ARG A 54 12.618 -5.099 -3.728 1.00 0.00 C ATOM 910 C ARG A 54 11.356 -4.333 -3.329 1.00 0.00 C ATOM 911 O ARG A 54 11.344 -3.638 -2.318 1.00 0.00 O ATOM 912 CB ARG A 54 13.552 -4.155 -4.500 1.00 0.00 C ATOM 913 CG ARG A 54 14.956 -4.691 -4.725 1.00 0.00 C ATOM 914 CD ARG A 54 15.804 -3.674 -5.474 1.00 0.00 C ATOM 915 NE ARG A 54 17.205 -4.080 -5.578 1.00 0.00 N ATOM 916 CZ ARG A 54 18.227 -3.223 -5.551 1.00 0.00 C ATOM 917 NH1 ARG A 54 17.999 -1.919 -5.455 1.00 0.00 N ATOM 918 NH2 ARG A 54 19.474 -3.668 -5.627 1.00 0.00 N ATOM 0 H ARG A 54 12.457 -7.177 -3.983 1.00 0.00 H new ATOM 0 HA ARG A 54 13.121 -5.442 -2.824 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.103 -3.934 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.621 -3.212 -3.958 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.420 -4.924 -3.767 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.910 -5.621 -5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.395 -3.532 -6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.745 -2.712 -4.965 1.00 0.00 H new ATOM 0 HE ARG A 54 17.412 -5.074 -5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.042 -1.571 -5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.781 -1.265 -5.434 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.654 -4.669 -5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.253 -3.009 -5.606 1.00 0.00 H new ATOM 932 N PHE A 55 10.303 -4.456 -4.120 1.00 0.00 N ATOM 933 CA PHE A 55 9.091 -3.682 -3.908 1.00 0.00 C ATOM 934 C PHE A 55 8.051 -4.481 -3.137 1.00 0.00 C ATOM 935 O PHE A 55 7.875 -5.681 -3.373 1.00 0.00 O ATOM 936 CB PHE A 55 8.494 -3.251 -5.252 1.00 0.00 C ATOM 937 CG PHE A 55 9.510 -2.807 -6.268 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.604 -3.448 -7.495 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.369 -1.758 -6.001 1.00 0.00 C ATOM 940 CE1 PHE A 55 10.535 -3.049 -8.433 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.304 -1.355 -6.936 1.00 0.00 C ATOM 942 CZ PHE A 55 11.386 -2.000 -8.153 1.00 0.00 C ATOM 0 H PHE A 55 10.263 -5.088 -4.919 1.00 0.00 H new ATOM 0 HA PHE A 55 9.362 -2.803 -3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.923 -4.082 -5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.791 -2.436 -5.079 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.940 -4.270 -7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.309 -1.247 -5.051 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.597 -3.557 -9.384 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.971 -0.535 -6.714 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.115 -1.684 -8.885 1.00 0.00 H new ATOM 952 N TYR A 56 7.380 -3.808 -2.210 1.00 0.00 N ATOM 953 CA TYR A 56 6.223 -4.363 -1.529 1.00 0.00 C ATOM 954 C TYR A 56 4.988 -4.181 -2.386 1.00 0.00 C ATOM 955 O TYR A 56 4.871 -3.204 -3.124 1.00 0.00 O ATOM 956 CB TYR A 56 5.994 -3.695 -0.169 1.00 0.00 C ATOM 957 CG TYR A 56 6.726 -4.357 0.971 1.00 0.00 C ATOM 958 CD1 TYR A 56 6.275 -5.559 1.496 1.00 0.00 C ATOM 959 CD2 TYR A 56 7.862 -3.786 1.521 1.00 0.00 C ATOM 960 CE1 TYR A 56 6.939 -6.178 2.533 1.00 0.00 C ATOM 961 CE2 TYR A 56 8.532 -4.398 2.562 1.00 0.00 C ATOM 962 CZ TYR A 56 8.068 -5.594 3.062 1.00 0.00 C ATOM 963 OH TYR A 56 8.742 -6.216 4.084 1.00 0.00 O ATOM 0 H TYR A 56 7.624 -2.864 -1.912 1.00 0.00 H new ATOM 0 HA TYR A 56 6.414 -5.423 -1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.306 -2.652 -0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.926 -3.696 0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.388 -6.018 1.085 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.229 -2.849 1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.576 -7.115 2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.416 -3.941 2.982 1.00 0.00 H new ATOM 0 HH TYR A 56 9.166 -7.033 3.747 1.00 0.00 H new ATOM 973 N TYR A 57 4.076 -5.121 -2.278 1.00 0.00 N ATOM 974 CA TYR A 57 2.850 -5.100 -3.045 1.00 0.00 C ATOM 975 C TYR A 57 1.659 -5.344 -2.135 1.00 0.00 C ATOM 976 O TYR A 57 1.381 -6.481 -1.756 1.00 0.00 O ATOM 977 CB TYR A 57 2.897 -6.165 -4.137 1.00 0.00 C ATOM 978 CG TYR A 57 4.051 -5.994 -5.097 1.00 0.00 C ATOM 979 CD1 TYR A 57 4.142 -4.873 -5.914 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.057 -6.946 -5.175 1.00 0.00 C ATOM 981 CE1 TYR A 57 5.204 -4.709 -6.778 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.120 -6.788 -6.041 1.00 0.00 C ATOM 983 CZ TYR A 57 6.190 -5.669 -6.836 1.00 0.00 C ATOM 984 OH TYR A 57 7.254 -5.503 -7.690 1.00 0.00 O ATOM 0 H TYR A 57 4.163 -5.924 -1.655 1.00 0.00 H new ATOM 0 HA TYR A 57 2.744 -4.120 -3.510 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.965 -7.148 -3.672 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.962 -6.141 -4.697 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.370 -4.119 -5.871 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.008 -7.824 -4.548 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.262 -3.832 -7.406 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.893 -7.540 -6.094 1.00 0.00 H new ATOM 0 HH TYR A 57 7.861 -6.268 -7.609 1.00 0.00 H new ATOM 994 N VAL A 58 0.981 -4.273 -1.760 1.00 0.00 N ATOM 995 CA VAL A 58 -0.187 -4.377 -0.903 1.00 0.00 C ATOM 996 C VAL A 58 -1.464 -4.206 -1.719 1.00 0.00 C ATOM 997 O VAL A 58 -1.906 -3.083 -1.964 1.00 0.00 O ATOM 998 CB VAL A 58 -0.167 -3.329 0.233 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.318 -3.573 1.192 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.163 -3.344 0.969 1.00 0.00 C ATOM 0 H VAL A 58 1.220 -3.320 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.164 -5.370 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.288 -2.341 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.293 -2.828 1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.263 -3.497 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.226 -4.569 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.148 -2.597 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.328 -4.330 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.968 -3.116 0.270 1.00 0.00 H new ATOM 1010 N SER A 59 -2.033 -5.313 -2.165 1.00 0.00 N ATOM 1011 CA SER A 59 -3.288 -5.277 -2.897 1.00 0.00 C ATOM 1012 C SER A 59 -4.434 -4.984 -1.938 1.00 0.00 C ATOM 1013 O SER A 59 -4.650 -5.729 -0.978 1.00 0.00 O ATOM 1014 CB SER A 59 -3.536 -6.614 -3.592 1.00 0.00 C ATOM 1015 OG SER A 59 -2.401 -7.032 -4.330 1.00 0.00 O ATOM 0 H SER A 59 -1.646 -6.248 -2.033 1.00 0.00 H new ATOM 0 HA SER A 59 -3.231 -4.491 -3.650 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.787 -7.371 -2.849 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.393 -6.525 -4.259 1.00 0.00 H new ATOM 0 HG SER A 59 -2.590 -7.891 -4.762 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.154 -3.901 -2.181 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.260 -3.517 -1.319 1.00 0.00 C ATOM 1023 C VAL A 60 -7.514 -3.224 -2.121 1.00 0.00 C ATOM 1024 O VAL A 60 -7.453 -2.976 -3.325 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.925 -2.261 -0.486 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.641 -2.459 0.295 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.834 -1.032 -1.374 1.00 0.00 C ATOM 0 H VAL A 60 -4.993 -3.272 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.432 -4.364 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.734 -2.103 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.425 -1.561 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.753 -3.308 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.820 -2.651 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.597 -0.160 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.051 -1.178 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.788 -0.875 -1.877 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.645 -3.269 -1.443 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.882 -2.758 -1.995 1.00 0.00 C ATOM 1039 C ASP A 61 -9.947 -1.270 -1.718 1.00 0.00 C ATOM 1040 O ASP A 61 -9.961 -0.845 -0.560 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.099 -3.469 -1.389 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.413 -2.767 -1.705 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -13.328 -2.808 -0.855 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.537 -2.161 -2.792 1.00 0.00 O ATOM 0 H ASP A 61 -8.731 -3.657 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.902 -2.944 -3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.140 -4.492 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.976 -3.530 -0.308 1.00 0.00 H new ATOM 1049 N ALA A 62 -9.960 -0.483 -2.781 1.00 0.00 N ATOM 1050 CA ALA A 62 -9.965 0.971 -2.672 1.00 0.00 C ATOM 1051 C ALA A 62 -11.284 1.491 -2.107 1.00 0.00 C ATOM 1052 O ALA A 62 -11.459 2.695 -1.915 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.687 1.592 -4.035 1.00 0.00 C ATOM 0 H ALA A 62 -9.967 -0.829 -3.740 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.177 1.260 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.692 2.678 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.712 1.261 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.458 1.281 -4.740 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.210 0.583 -1.842 1.00 0.00 N ATOM 1060 CA GLY A 63 -13.499 0.968 -1.310 1.00 0.00 C ATOM 1061 C GLY A 63 -14.533 1.057 -2.401 1.00 0.00 C ATOM 1062 O GLY A 63 -15.709 1.314 -2.147 1.00 0.00 O ATOM 0 H GLY A 63 -12.090 -0.420 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.818 0.243 -0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.415 1.931 -0.806 1.00 0.00 H new ATOM 1066 N ASP A 64 -14.082 0.843 -3.625 1.00 0.00 N ATOM 1067 CA ASP A 64 -14.955 0.866 -4.788 1.00 0.00 C ATOM 1068 C ASP A 64 -14.901 -0.467 -5.514 1.00 0.00 C ATOM 1069 O ASP A 64 -15.485 -0.627 -6.584 1.00 0.00 O ATOM 1070 CB ASP A 64 -14.555 1.989 -5.750 1.00 0.00 C ATOM 1071 CG ASP A 64 -14.919 3.368 -5.239 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -16.105 3.749 -5.345 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -14.023 4.086 -4.749 1.00 0.00 O ATOM 0 H ASP A 64 -13.104 0.649 -3.841 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.972 1.048 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.480 1.945 -5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.040 1.825 -6.712 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.191 -1.423 -4.928 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.011 -2.710 -5.564 1.00 0.00 C ATOM 1080 C GLY A 65 -12.673 -2.796 -6.264 1.00 0.00 C ATOM 1081 O GLY A 65 -12.170 -3.886 -6.533 1.00 0.00 O ATOM 0 H GLY A 65 -13.736 -1.327 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.084 -3.500 -4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.812 -2.877 -6.284 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.098 -1.634 -6.550 1.00 0.00 N ATOM 1086 CA GLU A 66 -10.816 -1.542 -7.220 1.00 0.00 C ATOM 1087 C GLU A 66 -9.716 -2.157 -6.377 1.00 0.00 C ATOM 1088 O GLU A 66 -9.571 -1.832 -5.200 1.00 0.00 O ATOM 1089 CB GLU A 66 -10.490 -0.082 -7.500 1.00 0.00 C ATOM 1090 CG GLU A 66 -11.441 0.562 -8.484 1.00 0.00 C ATOM 1091 CD GLU A 66 -11.103 2.011 -8.759 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -11.766 2.899 -8.186 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -10.167 2.268 -9.541 1.00 0.00 O ATOM 0 H GLU A 66 -12.512 -0.730 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.878 -2.093 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.514 0.475 -6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.474 -0.011 -7.887 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.421 0.004 -9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.458 0.497 -8.096 1.00 0.00 H new ATOM 1100 N LYS A 67 -8.937 -3.035 -6.984 1.00 0.00 N ATOM 1101 CA LYS A 67 -7.854 -3.682 -6.274 1.00 0.00 C ATOM 1102 C LYS A 67 -6.557 -2.940 -6.525 1.00 0.00 C ATOM 1103 O LYS A 67 -5.806 -3.258 -7.448 1.00 0.00 O ATOM 1104 CB LYS A 67 -7.716 -5.149 -6.673 1.00 0.00 C ATOM 1105 CG LYS A 67 -8.896 -6.005 -6.248 1.00 0.00 C ATOM 1106 CD LYS A 67 -8.685 -7.466 -6.607 1.00 0.00 C ATOM 1107 CE LYS A 67 -7.471 -8.047 -5.900 1.00 0.00 C ATOM 1108 NZ LYS A 67 -7.216 -9.456 -6.294 1.00 0.00 N ATOM 0 H LYS A 67 -9.035 -3.313 -7.960 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.084 -3.654 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.601 -5.214 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.806 -5.554 -6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.045 -5.912 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.803 -5.639 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.572 -8.039 -6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.559 -7.562 -7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.594 -7.442 -6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.620 -7.994 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.380 -9.812 -5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.042 -10.039 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.047 -9.505 -7.319 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.323 -1.924 -5.723 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.128 -1.116 -5.854 1.00 0.00 C ATOM 1124 C CYS A 68 -3.991 -1.747 -5.089 1.00 0.00 C ATOM 1125 O CYS A 68 -4.058 -1.922 -3.876 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.371 0.307 -5.356 1.00 0.00 C ATOM 1127 SG CYS A 68 -6.717 1.185 -6.215 1.00 0.00 S ATOM 0 H CYS A 68 -6.947 -1.636 -4.970 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.864 -1.065 -6.910 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.598 0.272 -4.290 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.451 0.880 -5.467 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.958 -2.104 -5.813 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.793 -2.710 -5.217 1.00 0.00 C ATOM 1134 C LYS A 69 -0.778 -1.628 -4.873 1.00 0.00 C ATOM 1135 O LYS A 69 -0.166 -1.029 -5.760 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.197 -3.743 -6.172 1.00 0.00 C ATOM 1137 CG LYS A 69 0.090 -4.359 -5.671 1.00 0.00 C ATOM 1138 CD LYS A 69 0.577 -5.473 -6.583 1.00 0.00 C ATOM 1139 CE LYS A 69 -0.332 -6.685 -6.500 1.00 0.00 C ATOM 1140 NZ LYS A 69 0.297 -7.902 -7.069 1.00 0.00 N ATOM 0 H LYS A 69 -2.901 -1.984 -6.824 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.074 -3.224 -4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.928 -4.534 -6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.012 -3.270 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.857 -3.588 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.063 -4.753 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.616 -5.114 -7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.592 -5.757 -6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.595 -6.868 -5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.261 -6.477 -7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.431 -8.628 -7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.751 -7.667 -7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.012 -8.265 -6.407 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.644 -1.352 -3.588 1.00 0.00 N ATOM 1155 CA PHE A 70 0.290 -0.349 -3.111 1.00 0.00 C ATOM 1156 C PHE A 70 1.707 -0.865 -3.212 1.00 0.00 C ATOM 1157 O PHE A 70 2.052 -1.888 -2.622 1.00 0.00 O ATOM 1158 CB PHE A 70 -0.035 0.055 -1.672 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.208 0.980 -1.575 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -2.494 0.522 -1.804 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -1.022 2.314 -1.269 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -3.571 1.379 -1.725 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -2.096 3.175 -1.186 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.373 2.708 -1.416 1.00 0.00 C ATOM 0 H PHE A 70 -1.176 -1.814 -2.850 1.00 0.00 H new ATOM 0 HA PHE A 70 0.196 0.537 -3.739 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.237 -0.841 -1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.837 0.536 -1.230 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.655 -0.518 -2.047 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.024 2.687 -1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.570 1.009 -1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.937 4.215 -0.941 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.215 3.381 -1.354 1.00 0.00 H new ATOM 1174 N LYS A 71 2.523 -0.153 -3.962 1.00 0.00 N ATOM 1175 CA LYS A 71 3.861 -0.605 -4.250 1.00 0.00 C ATOM 1176 C LYS A 71 4.872 0.163 -3.419 1.00 0.00 C ATOM 1177 O LYS A 71 5.363 1.222 -3.822 1.00 0.00 O ATOM 1178 CB LYS A 71 4.146 -0.449 -5.734 1.00 0.00 C ATOM 1179 CG LYS A 71 5.454 -1.063 -6.171 1.00 0.00 C ATOM 1180 CD LYS A 71 5.601 -0.985 -7.678 1.00 0.00 C ATOM 1181 CE LYS A 71 6.882 -1.657 -8.138 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.129 -1.472 -9.588 1.00 0.00 N ATOM 0 H LYS A 71 2.278 0.743 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 71 3.946 -1.660 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.334 -0.905 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.152 0.612 -5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.284 -0.544 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.500 -2.103 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.745 -1.462 -8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.601 0.059 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.723 -1.253 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.831 -2.723 -7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.807 -2.188 -9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.235 -1.575 -10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.519 -0.523 -9.755 1.00 0.00 H new ATOM 1196 N ILE A 72 5.169 -0.373 -2.253 1.00 0.00 N ATOM 1197 CA ILE A 72 6.086 0.266 -1.334 1.00 0.00 C ATOM 1198 C ILE A 72 7.515 -0.144 -1.657 1.00 0.00 C ATOM 1199 O ILE A 72 7.880 -1.306 -1.522 1.00 0.00 O ATOM 1200 CB ILE A 72 5.753 -0.088 0.130 1.00 0.00 C ATOM 1201 CG1 ILE A 72 4.301 0.295 0.448 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.713 0.617 1.075 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.859 -0.087 1.848 1.00 0.00 C ATOM 0 H ILE A 72 4.785 -1.257 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 72 5.983 1.345 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 72 5.866 -1.163 0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.183 1.371 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.642 -0.186 -0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.466 0.358 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.734 0.304 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.628 1.696 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.823 0.216 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.943 -1.166 1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.493 0.415 2.579 1.00 0.00 H new ATOM 1215 N ARG A 73 8.327 0.814 -2.067 1.00 0.00 N ATOM 1216 CA ARG A 73 9.681 0.525 -2.520 1.00 0.00 C ATOM 1217 C ARG A 73 10.633 0.481 -1.326 1.00 0.00 C ATOM 1218 O ARG A 73 11.782 0.899 -1.418 1.00 0.00 O ATOM 1219 CB ARG A 73 10.113 1.578 -3.552 1.00 0.00 C ATOM 1220 CG ARG A 73 11.370 1.215 -4.328 1.00 0.00 C ATOM 1221 CD ARG A 73 11.441 1.945 -5.660 1.00 0.00 C ATOM 1222 NE ARG A 73 12.689 1.658 -6.366 1.00 0.00 N ATOM 1223 CZ ARG A 73 12.850 1.763 -7.684 1.00 0.00 C ATOM 1224 NH1 ARG A 73 11.853 2.175 -8.456 1.00 0.00 N ATOM 1225 NH2 ARG A 73 14.020 1.464 -8.230 1.00 0.00 N ATOM 0 H ARG A 73 8.074 1.802 -2.097 1.00 0.00 H new ATOM 0 HA ARG A 73 9.710 -0.453 -3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.297 1.734 -4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.277 2.526 -3.040 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.249 1.460 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.392 0.139 -4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.595 1.652 -6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.356 3.019 -5.492 1.00 0.00 H new ATOM 0 HE ARG A 73 13.491 1.357 -5.812 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.953 2.415 -8.041 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.987 2.252 -9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.793 1.155 -7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.147 1.543 -9.239 1.00 0.00 H new ATOM 1239 N LYS A 74 10.124 -0.080 -0.221 1.00 0.00 N ATOM 1240 CA LYS A 74 10.842 -0.183 1.056 1.00 0.00 C ATOM 1241 C LYS A 74 11.703 1.052 1.347 1.00 0.00 C ATOM 1242 O LYS A 74 11.379 2.164 0.936 1.00 0.00 O ATOM 1243 CB LYS A 74 11.708 -1.444 1.071 1.00 0.00 C ATOM 1244 CG LYS A 74 10.983 -2.680 0.575 1.00 0.00 C ATOM 1245 CD LYS A 74 11.601 -3.944 1.136 1.00 0.00 C ATOM 1246 CE LYS A 74 11.003 -5.191 0.499 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.483 -6.445 1.143 1.00 0.00 N ATOM 0 H LYS A 74 9.187 -0.481 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 74 10.091 -0.243 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.590 -1.277 0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.060 -1.622 2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.933 -2.628 0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.014 -2.710 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.678 -3.929 0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.448 -3.977 2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.916 -5.144 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.256 -5.211 -0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.480 -7.217 0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.450 -6.304 1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.855 -6.691 1.935 1.00 0.00 H new ATOM 1261 N ASP A 75 12.763 0.852 2.119 1.00 0.00 N ATOM 1262 CA ASP A 75 13.785 1.875 2.295 1.00 0.00 C ATOM 1263 C ASP A 75 14.947 1.577 1.356 1.00 0.00 C ATOM 1264 O ASP A 75 16.062 2.072 1.529 1.00 0.00 O ATOM 1265 CB ASP A 75 14.267 1.922 3.748 1.00 0.00 C ATOM 1266 CG ASP A 75 15.144 3.126 4.055 1.00 0.00 C ATOM 1267 OD1 ASP A 75 16.376 2.959 4.180 1.00 0.00 O ATOM 1268 OD2 ASP A 75 14.610 4.246 4.184 1.00 0.00 O ATOM 0 H ASP A 75 12.938 -0.011 2.634 1.00 0.00 H new ATOM 0 HA ASP A 75 13.362 2.851 2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.401 1.934 4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.823 1.011 3.968 1.00 0.00 H new ATOM 1273 N VAL A 76 14.685 0.749 0.352 1.00 0.00 N ATOM 1274 CA VAL A 76 15.691 0.473 -0.650 1.00 0.00 C ATOM 1275 C VAL A 76 15.832 1.681 -1.562 1.00 0.00 C ATOM 1276 O VAL A 76 15.057 1.880 -2.505 1.00 0.00 O ATOM 1277 CB VAL A 76 15.423 -0.828 -1.452 1.00 0.00 C ATOM 1278 CG1 VAL A 76 13.999 -0.899 -1.973 1.00 0.00 C ATOM 1279 CG2 VAL A 76 16.410 -0.972 -2.600 1.00 0.00 C ATOM 0 H VAL A 76 13.797 0.266 0.216 1.00 0.00 H new ATOM 0 HA VAL A 76 16.634 0.294 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 76 15.562 -1.658 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.860 -1.827 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.303 -0.870 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.810 -0.051 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 76 16.201 -1.892 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.312 -0.120 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 76 17.425 -1.008 -2.205 1.00 0.00 H new ATOM 1289 N ASP A 77 16.798 2.514 -1.191 1.00 0.00 N ATOM 1290 CA ASP A 77 17.117 3.769 -1.881 1.00 0.00 C ATOM 1291 C ASP A 77 16.214 4.890 -1.385 1.00 0.00 C ATOM 1292 O ASP A 77 16.675 5.823 -0.726 1.00 0.00 O ATOM 1293 CB ASP A 77 17.021 3.633 -3.403 1.00 0.00 C ATOM 1294 CG ASP A 77 17.373 4.918 -4.122 1.00 0.00 C ATOM 1295 OD1 ASP A 77 18.577 5.183 -4.316 1.00 0.00 O ATOM 1296 OD2 ASP A 77 16.448 5.664 -4.507 1.00 0.00 O ATOM 0 H ASP A 77 17.397 2.336 -0.385 1.00 0.00 H new ATOM 0 HA ASP A 77 18.152 4.016 -1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.689 2.839 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.009 3.334 -3.675 1.00 0.00 H new ATOM 1301 N VAL A 78 14.928 4.796 -1.686 1.00 0.00 N ATOM 1302 CA VAL A 78 13.966 5.757 -1.169 1.00 0.00 C ATOM 1303 C VAL A 78 13.406 5.261 0.150 1.00 0.00 C ATOM 1304 O VAL A 78 13.317 4.062 0.376 1.00 0.00 O ATOM 1305 CB VAL A 78 12.784 6.017 -2.133 1.00 0.00 C ATOM 1306 CG1 VAL A 78 13.254 6.618 -3.442 1.00 0.00 C ATOM 1307 CG2 VAL A 78 11.995 4.746 -2.382 1.00 0.00 C ATOM 0 H VAL A 78 14.528 4.070 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 78 14.506 6.695 -1.045 1.00 0.00 H new ATOM 0 HB VAL A 78 12.126 6.741 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.397 6.787 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.754 7.567 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.950 5.934 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.170 4.957 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.648 3.994 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.599 4.372 -1.438 1.00 0.00 H new ATOM 1317 N PRO A 79 13.048 6.178 1.041 1.00 0.00 N ATOM 1318 CA PRO A 79 12.375 5.855 2.293 1.00 0.00 C ATOM 1319 C PRO A 79 10.861 5.877 2.123 1.00 0.00 C ATOM 1320 O PRO A 79 10.123 6.255 3.036 1.00 0.00 O ATOM 1321 CB PRO A 79 12.817 7.014 3.172 1.00 0.00 C ATOM 1322 CG PRO A 79 12.817 8.171 2.243 1.00 0.00 C ATOM 1323 CD PRO A 79 13.283 7.626 0.919 1.00 0.00 C ATOM 0 HA PRO A 79 12.614 4.865 2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 79 12.133 7.169 4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.805 6.841 3.598 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.821 8.607 2.159 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.481 8.959 2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.722 8.055 0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.335 7.848 0.741 1.00 0.00 H new ATOM 1331 N LYS A 80 10.397 5.465 0.956 1.00 0.00 N ATOM 1332 CA LYS A 80 9.012 5.672 0.584 1.00 0.00 C ATOM 1333 C LYS A 80 8.510 4.554 -0.314 1.00 0.00 C ATOM 1334 O LYS A 80 9.146 3.513 -0.457 1.00 0.00 O ATOM 1335 CB LYS A 80 8.875 7.005 -0.153 1.00 0.00 C ATOM 1336 CG LYS A 80 7.713 7.860 0.325 1.00 0.00 C ATOM 1337 CD LYS A 80 7.489 9.051 -0.593 1.00 0.00 C ATOM 1338 CE LYS A 80 8.744 9.895 -0.738 1.00 0.00 C ATOM 1339 NZ LYS A 80 8.514 11.086 -1.598 1.00 0.00 N ATOM 0 H LYS A 80 10.959 4.986 0.252 1.00 0.00 H new ATOM 0 HA LYS A 80 8.414 5.680 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.800 7.570 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.754 6.809 -1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.807 7.255 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.910 8.211 1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.172 8.699 -1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.680 9.667 -0.199 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.080 10.218 0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.543 9.288 -1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.394 11.636 -1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.218 10.778 -2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.770 11.679 -1.178 1.00 0.00 H new ATOM 1353 N MET A 81 7.371 4.788 -0.932 1.00 0.00 N ATOM 1354 CA MET A 81 6.784 3.825 -1.833 1.00 0.00 C ATOM 1355 C MET A 81 6.848 4.365 -3.247 1.00 0.00 C ATOM 1356 O MET A 81 6.435 5.492 -3.516 1.00 0.00 O ATOM 1357 CB MET A 81 5.344 3.487 -1.435 1.00 0.00 C ATOM 1358 CG MET A 81 4.433 4.677 -1.309 1.00 0.00 C ATOM 1359 SD MET A 81 2.746 4.182 -0.953 1.00 0.00 S ATOM 1360 CE MET A 81 1.964 5.768 -1.100 1.00 0.00 C ATOM 0 H MET A 81 6.831 5.646 -0.823 1.00 0.00 H new ATOM 0 HA MET A 81 7.352 2.896 -1.776 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.927 2.804 -2.175 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.359 2.955 -0.484 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.796 5.331 -0.516 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.456 5.253 -2.234 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.942 5.638 -1.457 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.948 6.258 -0.126 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.520 6.384 -1.807 1.00 0.00 H new ATOM 1370 N VAL A 82 7.409 3.564 -4.128 1.00 0.00 N ATOM 1371 CA VAL A 82 7.626 3.971 -5.512 1.00 0.00 C ATOM 1372 C VAL A 82 6.316 4.327 -6.213 1.00 0.00 C ATOM 1373 O VAL A 82 6.268 5.275 -6.999 1.00 0.00 O ATOM 1374 CB VAL A 82 8.374 2.880 -6.312 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.633 1.554 -6.265 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.604 3.320 -7.748 1.00 0.00 C ATOM 0 H VAL A 82 7.727 2.619 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 82 8.248 4.866 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 82 9.346 2.734 -5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.185 0.808 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.543 1.224 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.639 1.677 -6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.132 2.535 -8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.644 3.510 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.201 4.232 -7.758 1.00 0.00 H new ATOM 1386 N GLY A 83 5.250 3.598 -5.916 1.00 0.00 N ATOM 1387 CA GLY A 83 4.005 3.848 -6.597 1.00 0.00 C ATOM 1388 C GLY A 83 2.835 3.107 -5.999 1.00 0.00 C ATOM 1389 O GLY A 83 2.870 2.683 -4.844 1.00 0.00 O ATOM 0 H GLY A 83 5.228 2.848 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.797 4.918 -6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.109 3.564 -7.644 1.00 0.00 H new ATOM 1393 N ARG A 84 1.816 2.932 -6.817 1.00 0.00 N ATOM 1394 CA ARG A 84 0.558 2.343 -6.395 1.00 0.00 C ATOM 1395 C ARG A 84 -0.357 2.213 -7.600 1.00 0.00 C ATOM 1396 O ARG A 84 -0.943 3.195 -8.053 1.00 0.00 O ATOM 1397 CB ARG A 84 -0.128 3.209 -5.339 1.00 0.00 C ATOM 1398 CG ARG A 84 -1.423 2.612 -4.821 1.00 0.00 C ATOM 1399 CD ARG A 84 -2.469 3.684 -4.577 1.00 0.00 C ATOM 1400 NE ARG A 84 -2.974 4.245 -5.830 1.00 0.00 N ATOM 1401 CZ ARG A 84 -4.260 4.519 -6.065 1.00 0.00 C ATOM 1402 NH1 ARG A 84 -5.174 4.302 -5.126 1.00 0.00 N ATOM 1403 NH2 ARG A 84 -4.624 5.012 -7.239 1.00 0.00 N ATOM 0 H ARG A 84 1.837 3.196 -7.802 1.00 0.00 H new ATOM 0 HA ARG A 84 0.762 1.364 -5.961 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.555 3.359 -4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.333 4.192 -5.763 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.804 1.887 -5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.231 2.071 -3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.297 3.261 -4.008 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.039 4.480 -3.970 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.301 4.439 -6.572 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.895 3.924 -4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.155 4.513 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.923 5.181 -7.960 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.605 5.222 -7.422 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.468 1.012 -8.120 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.265 0.776 -9.308 1.00 0.00 C ATOM 1419 C LYS A 85 -2.369 -0.222 -9.022 1.00 0.00 C ATOM 1420 O LYS A 85 -2.104 -1.347 -8.590 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.379 0.276 -10.451 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.005 1.359 -11.447 1.00 0.00 C ATOM 1423 CD LYS A 85 0.903 0.823 -12.537 1.00 0.00 C ATOM 1424 CE LYS A 85 1.269 1.908 -13.532 1.00 0.00 C ATOM 1425 NZ LYS A 85 2.170 1.404 -14.602 1.00 0.00 N ATOM 0 H LYS A 85 -0.016 0.180 -7.740 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.724 1.718 -9.607 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.532 -0.152 -10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.896 -0.527 -10.977 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.909 1.770 -11.895 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.493 2.177 -10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.810 0.415 -12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.407 0.003 -13.056 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.360 2.308 -13.982 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.754 2.731 -13.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.596 2.209 -15.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.921 0.823 -14.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.623 0.827 -15.273 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.608 0.192 -9.233 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.723 -0.717 -9.076 1.00 0.00 C ATOM 1441 C CYS A 86 -4.780 -1.638 -10.272 1.00 0.00 C ATOM 1442 O CYS A 86 -4.973 -1.202 -11.406 1.00 0.00 O ATOM 1443 CB CYS A 86 -6.052 0.019 -8.932 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.936 1.605 -8.043 1.00 0.00 S ATOM 0 H CYS A 86 -3.862 1.140 -9.510 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.566 -1.286 -8.160 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.463 0.201 -9.925 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.757 -0.627 -8.409 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.597 -2.905 -10.008 1.00 0.00 N ATOM 1450 CA ARG A 87 -4.621 -3.910 -11.041 1.00 0.00 C ATOM 1451 C ARG A 87 -5.585 -4.988 -10.615 1.00 0.00 C ATOM 1452 O ARG A 87 -5.208 -6.016 -10.053 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.220 -4.461 -11.324 1.00 0.00 C ATOM 1454 CG ARG A 87 -2.324 -3.472 -12.058 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.116 -4.153 -12.684 1.00 0.00 C ATOM 1456 NE ARG A 87 -1.518 -5.312 -13.485 1.00 0.00 N ATOM 1457 CZ ARG A 87 -0.822 -5.798 -14.512 1.00 0.00 C ATOM 1458 NH1 ARG A 87 0.338 -5.255 -14.857 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -1.297 -6.838 -15.193 1.00 0.00 N ATOM 0 H ARG A 87 -4.427 -3.271 -9.071 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.958 -3.474 -11.981 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.748 -4.738 -10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.307 -5.372 -11.917 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.900 -2.969 -12.835 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.987 -2.703 -11.363 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.579 -3.442 -13.312 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.427 -4.470 -11.901 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.391 -5.779 -13.240 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.704 -4.459 -14.335 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.864 -5.634 -15.645 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.188 -7.257 -14.928 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.770 -7.216 -15.980 1.00 0.00 H new ATOM 1473 N LYS A 88 -6.848 -4.695 -10.852 1.00 0.00 N ATOM 1474 CA LYS A 88 -7.946 -5.477 -10.332 1.00 0.00 C ATOM 1475 C LYS A 88 -8.125 -6.751 -11.150 1.00 0.00 C ATOM 1476 O LYS A 88 -8.687 -7.741 -10.678 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.210 -4.612 -10.363 1.00 0.00 C ATOM 1478 CG LYS A 88 -10.389 -5.188 -9.609 1.00 0.00 C ATOM 1479 CD LYS A 88 -11.632 -4.330 -9.798 1.00 0.00 C ATOM 1480 CE LYS A 88 -12.902 -5.070 -9.406 1.00 0.00 C ATOM 1481 NZ LYS A 88 -13.178 -6.218 -10.311 1.00 0.00 N ATOM 0 H LYS A 88 -7.141 -3.898 -11.417 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.741 -5.780 -9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.974 -3.632 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.502 -4.456 -11.402 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.587 -6.202 -9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.148 -5.256 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.541 -3.424 -9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -11.702 -4.018 -10.840 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.811 -5.430 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.745 -4.380 -9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.182 -6.482 -10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -12.959 -5.948 -11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -12.587 -7.028 -10.035 1.00 0.00 H new ATOM 1495 N ASP A 89 -7.629 -6.721 -12.378 1.00 0.00 N ATOM 1496 CA ASP A 89 -7.709 -7.873 -13.265 1.00 0.00 C ATOM 1497 C ASP A 89 -6.344 -8.527 -13.426 1.00 0.00 C ATOM 1498 O ASP A 89 -5.802 -8.594 -14.535 1.00 0.00 O ATOM 1499 CB ASP A 89 -8.263 -7.469 -14.632 1.00 0.00 C ATOM 1500 CG ASP A 89 -9.668 -6.921 -14.538 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -9.852 -5.704 -14.759 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -10.591 -7.702 -14.226 1.00 0.00 O ATOM 0 H ASP A 89 -7.165 -5.909 -12.784 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.390 -8.595 -12.814 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.611 -6.719 -15.079 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.256 -8.334 -15.295 1.00 0.00 H new ATOM 1507 N ASP A 90 -5.788 -8.970 -12.299 1.00 0.00 N ATOM 1508 CA ASP A 90 -4.524 -9.715 -12.266 1.00 0.00 C ATOM 1509 C ASP A 90 -3.329 -8.828 -12.620 1.00 0.00 C ATOM 1510 O ASP A 90 -3.465 -7.799 -13.285 1.00 0.00 O ATOM 1511 CB ASP A 90 -4.593 -10.933 -13.197 1.00 0.00 C ATOM 1512 CG ASP A 90 -3.356 -11.805 -13.123 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -3.060 -12.331 -12.030 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -2.685 -11.984 -14.159 1.00 0.00 O ATOM 0 H ASP A 90 -6.201 -8.823 -11.378 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.375 -10.064 -11.244 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.468 -11.530 -12.941 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.730 -10.592 -14.223 1.00 0.00 H new ATOM 1519 N ASP A 91 -2.159 -9.223 -12.152 1.00 0.00 N ATOM 1520 CA ASP A 91 -0.940 -8.474 -12.405 1.00 0.00 C ATOM 1521 C ASP A 91 0.164 -9.404 -12.891 1.00 0.00 C ATOM 1522 O ASP A 91 0.407 -10.461 -12.308 1.00 0.00 O ATOM 1523 CB ASP A 91 -0.496 -7.714 -11.150 1.00 0.00 C ATOM 1524 CG ASP A 91 -0.187 -8.624 -9.978 1.00 0.00 C ATOM 1525 OD1 ASP A 91 0.971 -8.631 -9.514 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -1.108 -9.319 -9.493 1.00 0.00 O ATOM 0 H ASP A 91 -2.026 -10.064 -11.591 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.144 -7.742 -13.187 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.389 -7.123 -11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.280 -7.014 -10.861 1.00 0.00 H new ATOM 1531 N ASP A 92 0.804 -9.016 -13.983 1.00 0.00 N ATOM 1532 CA ASP A 92 1.872 -9.814 -14.572 1.00 0.00 C ATOM 1533 C ASP A 92 3.207 -9.342 -14.031 1.00 0.00 C ATOM 1534 O ASP A 92 3.822 -9.990 -13.182 1.00 0.00 O ATOM 1535 CB ASP A 92 1.875 -9.682 -16.101 1.00 0.00 C ATOM 1536 CG ASP A 92 0.493 -9.772 -16.707 1.00 0.00 C ATOM 1537 OD1 ASP A 92 -0.150 -8.713 -16.878 1.00 0.00 O ATOM 1538 OD2 ASP A 92 0.047 -10.893 -17.025 1.00 0.00 O ATOM 0 H ASP A 92 0.602 -8.150 -14.482 1.00 0.00 H new ATOM 0 HA ASP A 92 1.706 -10.859 -14.312 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.324 -8.728 -16.376 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.503 -10.465 -16.526 1.00 0.00 H new ATOM 1543 N ASP A 93 3.631 -8.197 -14.537 1.00 0.00 N ATOM 1544 CA ASP A 93 4.826 -7.524 -14.071 1.00 0.00 C ATOM 1545 C ASP A 93 4.412 -6.321 -13.239 1.00 0.00 C ATOM 1546 O ASP A 93 3.232 -5.962 -13.219 1.00 0.00 O ATOM 1547 CB ASP A 93 5.678 -7.080 -15.265 1.00 0.00 C ATOM 1548 CG ASP A 93 4.966 -6.069 -16.145 1.00 0.00 C ATOM 1549 OD1 ASP A 93 3.925 -6.419 -16.746 1.00 0.00 O ATOM 1550 OD2 ASP A 93 5.449 -4.927 -16.257 1.00 0.00 O ATOM 0 H ASP A 93 3.149 -7.706 -15.290 1.00 0.00 H new ATOM 0 HA ASP A 93 5.422 -8.203 -13.461 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.610 -6.647 -14.901 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.944 -7.953 -15.862 1.00 0.00 H new ATOM 1555 N ASP A 94 5.356 -5.696 -12.558 1.00 0.00 N ATOM 1556 CA ASP A 94 5.018 -4.572 -11.702 1.00 0.00 C ATOM 1557 C ASP A 94 5.092 -3.244 -12.463 1.00 0.00 C ATOM 1558 O ASP A 94 4.169 -2.915 -13.207 1.00 0.00 O ATOM 1559 CB ASP A 94 5.863 -4.553 -10.413 1.00 0.00 C ATOM 1560 CG ASP A 94 7.359 -4.680 -10.642 1.00 0.00 C ATOM 1561 OD1 ASP A 94 8.023 -3.634 -10.825 1.00 0.00 O ATOM 1562 OD2 ASP A 94 7.879 -5.812 -10.615 1.00 0.00 O ATOM 0 H ASP A 94 6.346 -5.941 -12.579 1.00 0.00 H new ATOM 0 HA ASP A 94 3.982 -4.703 -11.390 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.667 -3.624 -9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.536 -5.368 -9.767 1.00 0.00 H new ATOM 1567 N GLY A 95 6.186 -2.502 -12.304 1.00 0.00 N ATOM 1568 CA GLY A 95 6.301 -1.183 -12.915 1.00 0.00 C ATOM 1569 C GLY A 95 5.141 -0.271 -12.554 1.00 0.00 C ATOM 1570 O GLY A 95 4.195 -0.126 -13.328 1.00 0.00 O ATOM 0 H GLY A 95 7.000 -2.791 -11.761 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.235 -0.720 -12.598 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.350 -1.291 -13.999 1.00 0.00 H new ATOM 1574 N TYR A 96 5.201 0.350 -11.381 1.00 0.00 N ATOM 1575 CA TYR A 96 4.092 1.167 -10.913 1.00 0.00 C ATOM 1576 C TYR A 96 4.518 2.626 -10.841 1.00 0.00 C ATOM 1577 O TYR A 96 5.270 2.972 -9.905 1.00 0.00 O ATOM 1578 CB TYR A 96 3.597 0.695 -9.540 1.00 0.00 C ATOM 1579 CG TYR A 96 2.761 -0.580 -9.543 1.00 0.00 C ATOM 1580 CD1 TYR A 96 2.714 -1.438 -10.640 1.00 0.00 C ATOM 1581 CD2 TYR A 96 2.006 -0.919 -8.426 1.00 0.00 C ATOM 1582 CE1 TYR A 96 1.942 -2.585 -10.619 1.00 0.00 C ATOM 1583 CE2 TYR A 96 1.233 -2.063 -8.401 1.00 0.00 C ATOM 1584 CZ TYR A 96 1.205 -2.891 -9.499 1.00 0.00 C ATOM 1585 OH TYR A 96 0.432 -4.027 -9.480 1.00 0.00 O ATOM 1586 OXT TYR A 96 4.113 3.409 -11.721 1.00 0.00 O ATOM 0 H TYR A 96 5.997 0.303 -10.745 1.00 0.00 H new ATOM 0 HA TYR A 96 3.270 1.065 -11.622 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.462 0.539 -8.896 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.006 1.494 -9.092 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.291 -1.203 -11.522 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.024 -0.274 -7.560 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.918 -3.238 -11.479 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.653 -2.307 -7.523 1.00 0.00 H new ATOM 0 HH TYR A 96 0.841 -4.710 -10.051 1.00 0.00 H new TER 1596 TYR A 96