USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 49 GLN : amide:sc= 1.8 K(o=2.9,f=-4) USER MOD Set 1.2: A 52 LYS NZ :NH3+ 151:sc= 1.11 (180deg=0) USER MOD Single : A 41 SER OG : rot 79:sc= 1.23 USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.14) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 76:sc= 0.0339 USER MOD Single : A 51 HIS : no HD1:sc= 0.921 K(o=0.92,f=-4.2!) USER MOD Single : A 53 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 61 GLN : amide:sc= 0.792 K(o=0.79,f=-5.7!) USER MOD Single : A 64 TYR OH : rot 70:sc= -0.213 USER MOD Single : A 66 SER OG : rot 68:sc= 0.178 USER MOD Single : A 68 THR OG1 : rot -164:sc= 0.797 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.24! C(o=-1.2!,f=-10!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.238 USER MOD Single : A 85 TYR OH : rot 165:sc= 0 USER MOD Single : A 88 SER OG : rot 88:sc= 1.22 USER MOD Single : A 105 CYS SG : rot 75:sc= -1.31 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 35 2.683 -7.835 0.236 1.00 0.00 N ATOM 45 CA LEU A 35 3.267 -9.176 0.074 1.00 0.00 C ATOM 46 C LEU A 35 2.232 -10.061 -0.620 1.00 0.00 C ATOM 47 O LEU A 35 1.065 -9.687 -0.652 1.00 0.00 O ATOM 48 CB LEU A 35 3.644 -9.775 1.447 1.00 0.00 C ATOM 49 CG LEU A 35 4.633 -8.929 2.273 1.00 0.00 C ATOM 50 CD1 LEU A 35 4.947 -9.646 3.587 1.00 0.00 C ATOM 51 CD2 LEU A 35 5.937 -8.641 1.518 1.00 0.00 C ATOM 0 HA LEU A 35 4.177 -9.115 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.733 -9.914 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.076 -10.763 1.290 1.00 0.00 H new ATOM 0 HG LEU A 35 4.155 -7.969 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.646 -9.047 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.027 -9.785 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.392 -10.618 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.596 -8.042 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.429 -9.581 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.714 -8.094 0.602 1.00 0.00 H new ATOM 63 N GLU A 36 2.595 -11.237 -1.142 1.00 0.00 N ATOM 64 CA GLU A 36 1.688 -12.013 -1.998 1.00 0.00 C ATOM 65 C GLU A 36 0.392 -12.366 -1.276 1.00 0.00 C ATOM 66 O GLU A 36 -0.693 -12.028 -1.750 1.00 0.00 O ATOM 67 CB GLU A 36 2.397 -13.259 -2.558 1.00 0.00 C ATOM 68 CG GLU A 36 1.499 -14.087 -3.488 1.00 0.00 C ATOM 69 CD GLU A 36 2.288 -15.230 -4.147 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.351 -16.342 -3.571 1.00 0.00 O ATOM 71 OE2 GLU A 36 2.857 -15.028 -5.250 1.00 0.00 O ATOM 0 H GLU A 36 3.505 -11.672 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 36 1.409 -11.386 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.289 -12.950 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.730 -13.885 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.664 -14.498 -2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.075 -13.442 -4.258 1.00 0.00 H new ATOM 78 N ALA A 37 0.497 -13.009 -0.115 1.00 0.00 N ATOM 79 CA ALA A 37 -0.688 -13.450 0.611 1.00 0.00 C ATOM 80 C ALA A 37 -1.477 -12.245 1.139 1.00 0.00 C ATOM 81 O ALA A 37 -2.708 -12.256 1.139 1.00 0.00 O ATOM 82 CB ALA A 37 -0.313 -14.415 1.741 1.00 0.00 C ATOM 0 H ALA A 37 1.383 -13.234 0.338 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.332 -13.993 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.215 -14.728 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.185 -15.289 1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.358 -13.915 2.439 1.00 0.00 H new ATOM 88 N ASP A 38 -0.774 -11.186 1.550 1.00 0.00 N ATOM 89 CA ASP A 38 -1.384 -9.955 2.061 1.00 0.00 C ATOM 90 C ASP A 38 -2.168 -9.226 0.969 1.00 0.00 C ATOM 91 O ASP A 38 -3.284 -8.760 1.208 1.00 0.00 O ATOM 92 CB ASP A 38 -0.292 -9.043 2.630 1.00 0.00 C ATOM 93 CG ASP A 38 -0.889 -7.797 3.299 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.578 -7.943 4.333 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.665 -6.666 2.804 1.00 0.00 O ATOM 0 H ASP A 38 0.246 -11.159 1.537 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.087 -10.220 2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.303 -9.597 3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.383 -8.739 1.830 1.00 0.00 H new ATOM 100 N LEU A 39 -1.614 -9.194 -0.250 1.00 0.00 N ATOM 101 CA LEU A 39 -2.199 -8.585 -1.432 1.00 0.00 C ATOM 102 C LEU A 39 -3.530 -9.243 -1.699 1.00 0.00 C ATOM 103 O LEU A 39 -4.560 -8.572 -1.704 1.00 0.00 O ATOM 104 CB LEU A 39 -1.253 -8.749 -2.645 1.00 0.00 C ATOM 105 CG LEU A 39 -1.739 -8.065 -3.942 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.528 -7.637 -4.777 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.615 -8.966 -4.825 1.00 0.00 C ATOM 0 H LEU A 39 -0.704 -9.614 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.346 -7.517 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.275 -8.346 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.117 -9.813 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.344 -7.216 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.870 -7.154 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.081 -6.938 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.068 -8.514 -5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.918 -8.418 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.049 -9.850 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.501 -9.271 -4.268 1.00 0.00 H new ATOM 119 N VAL A 40 -3.509 -10.555 -1.916 1.00 0.00 N ATOM 120 CA VAL A 40 -4.692 -11.251 -2.366 1.00 0.00 C ATOM 121 C VAL A 40 -5.764 -11.193 -1.273 1.00 0.00 C ATOM 122 O VAL A 40 -6.923 -10.955 -1.595 1.00 0.00 O ATOM 123 CB VAL A 40 -4.327 -12.665 -2.874 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.266 -12.566 -3.986 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.814 -13.596 -1.771 1.00 0.00 C ATOM 0 H VAL A 40 -2.688 -11.147 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.134 -10.760 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.250 -13.100 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.014 -13.566 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.661 -11.978 -4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.371 -12.084 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.577 -14.570 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.917 -13.169 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.582 -13.712 -1.006 1.00 0.00 H new ATOM 135 N SER A 41 -5.385 -11.291 0.008 1.00 0.00 N ATOM 136 CA SER A 41 -6.325 -11.212 1.126 1.00 0.00 C ATOM 137 C SER A 41 -6.978 -9.829 1.244 1.00 0.00 C ATOM 138 O SER A 41 -8.200 -9.753 1.346 1.00 0.00 O ATOM 139 CB SER A 41 -5.630 -11.615 2.437 1.00 0.00 C ATOM 140 OG SER A 41 -5.075 -12.918 2.332 1.00 0.00 O ATOM 0 H SER A 41 -4.416 -11.427 0.295 1.00 0.00 H new ATOM 0 HA SER A 41 -7.131 -11.918 0.927 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.844 -10.898 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.346 -11.585 3.258 1.00 0.00 H new ATOM 0 HG SER A 41 -4.230 -12.875 1.838 1.00 0.00 H new ATOM 146 N LYS A 42 -6.223 -8.723 1.179 1.00 0.00 N ATOM 147 CA LYS A 42 -6.815 -7.378 1.244 1.00 0.00 C ATOM 148 C LYS A 42 -7.673 -7.115 0.015 1.00 0.00 C ATOM 149 O LYS A 42 -8.753 -6.558 0.156 1.00 0.00 O ATOM 150 CB LYS A 42 -5.712 -6.313 1.360 1.00 0.00 C ATOM 151 CG LYS A 42 -5.182 -6.231 2.799 1.00 0.00 C ATOM 152 CD LYS A 42 -3.958 -5.311 2.861 1.00 0.00 C ATOM 153 CE LYS A 42 -3.420 -5.232 4.296 1.00 0.00 C ATOM 154 NZ LYS A 42 -2.022 -4.732 4.329 1.00 0.00 N ATOM 0 H LYS A 42 -5.208 -8.732 1.082 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.449 -7.322 2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.895 -6.554 0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.104 -5.342 1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.962 -5.855 3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.916 -7.227 3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.181 -5.684 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.226 -4.314 2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.056 -4.574 4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.465 -6.219 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.674 -4.740 5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.420 -5.345 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.992 -3.761 3.958 1.00 0.00 H new ATOM 168 N MET A 43 -7.241 -7.537 -1.172 1.00 0.00 N ATOM 169 CA MET A 43 -8.006 -7.329 -2.400 1.00 0.00 C ATOM 170 C MET A 43 -9.319 -8.112 -2.332 1.00 0.00 C ATOM 171 O MET A 43 -10.385 -7.535 -2.533 1.00 0.00 O ATOM 172 CB MET A 43 -7.173 -7.765 -3.611 1.00 0.00 C ATOM 173 CG MET A 43 -5.903 -6.925 -3.829 1.00 0.00 C ATOM 174 SD MET A 43 -6.090 -5.457 -4.867 1.00 0.00 S ATOM 175 CE MET A 43 -4.413 -5.381 -5.555 1.00 0.00 C ATOM 0 H MET A 43 -6.358 -8.029 -1.309 1.00 0.00 H new ATOM 0 HA MET A 43 -8.241 -6.270 -2.507 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.889 -8.810 -3.487 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.793 -7.707 -4.506 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.528 -6.611 -2.855 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.140 -7.565 -4.273 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.334 -4.528 -6.229 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.692 -5.271 -4.745 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.204 -6.298 -6.105 1.00 0.00 H new ATOM 185 N LEU A 44 -9.258 -9.396 -1.965 1.00 0.00 N ATOM 186 CA LEU A 44 -10.413 -10.255 -1.684 1.00 0.00 C ATOM 187 C LEU A 44 -11.377 -9.531 -0.753 1.00 0.00 C ATOM 188 O LEU A 44 -12.535 -9.297 -1.093 1.00 0.00 O ATOM 189 CB LEU A 44 -9.882 -11.561 -1.044 1.00 0.00 C ATOM 190 CG LEU A 44 -10.937 -12.466 -0.394 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.746 -13.171 -1.469 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.274 -13.495 0.513 1.00 0.00 C ATOM 0 H LEU A 44 -8.370 -9.884 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.958 -10.493 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.363 -12.134 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.142 -11.298 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.601 -11.847 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.493 -13.812 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.244 -12.430 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.082 -13.778 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.038 -14.128 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.593 -14.112 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.716 -12.983 1.297 1.00 0.00 H new ATOM 204 N ARG A 45 -10.870 -9.140 0.414 1.00 0.00 N ATOM 205 CA ARG A 45 -11.602 -8.398 1.423 1.00 0.00 C ATOM 206 C ARG A 45 -12.248 -7.157 0.831 1.00 0.00 C ATOM 207 O ARG A 45 -13.413 -6.908 1.119 1.00 0.00 O ATOM 208 CB ARG A 45 -10.618 -8.117 2.563 1.00 0.00 C ATOM 209 CG ARG A 45 -11.010 -7.007 3.536 1.00 0.00 C ATOM 210 CD ARG A 45 -10.464 -5.620 3.156 1.00 0.00 C ATOM 211 NE ARG A 45 -10.328 -4.845 4.388 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.217 -3.530 4.566 1.00 0.00 C ATOM 213 NH1 ARG A 45 -10.060 -2.697 3.540 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.273 -3.088 5.813 1.00 0.00 N ATOM 0 H ARG A 45 -9.908 -9.340 0.686 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.442 -8.967 1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.480 -9.037 3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.652 -7.864 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.097 -6.955 3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.651 -7.267 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.501 -5.712 2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.139 -5.120 2.462 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.316 -5.398 5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.022 -3.062 2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.978 -1.694 3.705 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.396 -3.746 6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.193 -2.089 6.004 1.00 0.00 H new ATOM 228 N ALA A 46 -11.537 -6.378 0.021 1.00 0.00 N ATOM 229 CA ALA A 46 -12.072 -5.125 -0.473 1.00 0.00 C ATOM 230 C ALA A 46 -13.237 -5.374 -1.423 1.00 0.00 C ATOM 231 O ALA A 46 -14.251 -4.688 -1.316 1.00 0.00 O ATOM 232 CB ALA A 46 -10.967 -4.310 -1.151 1.00 0.00 C ATOM 0 H ALA A 46 -10.594 -6.595 -0.303 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.451 -4.548 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.381 -3.371 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.175 -4.101 -0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.557 -4.877 -1.987 1.00 0.00 H new ATOM 238 N VAL A 47 -13.142 -6.381 -2.301 1.00 0.00 N ATOM 239 CA VAL A 47 -14.254 -6.745 -3.174 1.00 0.00 C ATOM 240 C VAL A 47 -15.448 -7.144 -2.308 1.00 0.00 C ATOM 241 O VAL A 47 -16.565 -6.680 -2.527 1.00 0.00 O ATOM 242 CB VAL A 47 -13.826 -7.865 -4.147 1.00 0.00 C ATOM 243 CG1 VAL A 47 -14.986 -8.365 -5.012 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.734 -7.350 -5.088 1.00 0.00 C ATOM 0 H VAL A 47 -12.307 -6.954 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.551 -5.896 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.466 -8.689 -3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.631 -9.151 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.774 -8.761 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.381 -7.539 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.437 -8.146 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.116 -6.504 -5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.870 -7.033 -4.504 1.00 0.00 H new ATOM 254 N LEU A 48 -15.212 -7.960 -1.280 1.00 0.00 N ATOM 255 CA LEU A 48 -16.277 -8.410 -0.388 1.00 0.00 C ATOM 256 C LEU A 48 -16.916 -7.240 0.373 1.00 0.00 C ATOM 257 O LEU A 48 -18.122 -7.264 0.601 1.00 0.00 O ATOM 258 CB LEU A 48 -15.698 -9.428 0.605 1.00 0.00 C ATOM 259 CG LEU A 48 -15.234 -10.731 -0.056 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.276 -11.438 0.893 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.418 -11.650 -0.316 1.00 0.00 C ATOM 0 H LEU A 48 -14.288 -8.323 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.059 -8.872 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.856 -8.975 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.452 -9.660 1.357 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.749 -10.497 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.935 -12.368 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.418 -10.795 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.788 -11.658 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.069 -12.570 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.908 -11.888 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.127 -11.152 -0.977 1.00 0.00 H new ATOM 273 N GLN A 49 -16.132 -6.232 0.777 1.00 0.00 N ATOM 274 CA GLN A 49 -16.647 -5.060 1.481 1.00 0.00 C ATOM 275 C GLN A 49 -17.537 -4.212 0.568 1.00 0.00 C ATOM 276 O GLN A 49 -18.570 -3.723 1.029 1.00 0.00 O ATOM 277 CB GLN A 49 -15.498 -4.213 2.064 1.00 0.00 C ATOM 278 CG GLN A 49 -14.857 -4.793 3.342 1.00 0.00 C ATOM 279 CD GLN A 49 -15.784 -4.804 4.564 1.00 0.00 C ATOM 280 OE1 GLN A 49 -16.934 -4.368 4.510 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.316 -5.306 5.694 1.00 0.00 N ATOM 0 H GLN A 49 -15.124 -6.210 0.623 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.259 -5.416 2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.725 -4.101 1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.876 -3.214 2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.530 -5.813 3.140 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.965 -4.214 3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.363 -5.667 5.736 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.908 -5.333 6.524 1.00 0.00 H new ATOM 290 N SER A 50 -17.181 -4.063 -0.711 1.00 0.00 N ATOM 291 CA SER A 50 -18.042 -3.415 -1.695 1.00 0.00 C ATOM 292 C SER A 50 -19.315 -4.230 -1.945 1.00 0.00 C ATOM 293 O SER A 50 -20.402 -3.662 -2.088 1.00 0.00 O ATOM 294 CB SER A 50 -17.274 -3.239 -3.015 1.00 0.00 C ATOM 295 OG SER A 50 -16.104 -2.457 -2.801 1.00 0.00 O ATOM 0 H SER A 50 -16.291 -4.388 -1.089 1.00 0.00 H new ATOM 0 HA SER A 50 -18.334 -2.441 -1.302 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.000 -4.214 -3.418 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.913 -2.756 -3.755 1.00 0.00 H new ATOM 0 HG SER A 50 -15.421 -3.004 -2.361 1.00 0.00 H new ATOM 301 N HIS A 51 -19.206 -5.563 -1.941 1.00 0.00 N ATOM 302 CA HIS A 51 -20.263 -6.471 -2.365 1.00 0.00 C ATOM 303 C HIS A 51 -20.949 -7.073 -1.136 1.00 0.00 C ATOM 304 O HIS A 51 -20.900 -8.281 -0.912 1.00 0.00 O ATOM 305 CB HIS A 51 -19.673 -7.524 -3.322 1.00 0.00 C ATOM 306 CG HIS A 51 -19.156 -6.976 -4.641 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.937 -5.632 -4.976 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.822 -7.749 -5.710 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.471 -5.645 -6.237 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.405 -6.899 -6.707 1.00 0.00 N ATOM 0 H HIS A 51 -18.361 -6.045 -1.636 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.037 -5.940 -2.919 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.856 -8.037 -2.814 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.438 -8.272 -3.532 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.875 -8.826 -5.765 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.188 -4.765 -6.796 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.099 -7.174 -7.640 1.00 0.00 H new ATOM 318 N LYS A 52 -21.598 -6.230 -0.319 1.00 0.00 N ATOM 319 CA LYS A 52 -22.273 -6.653 0.917 1.00 0.00 C ATOM 320 C LYS A 52 -23.351 -7.720 0.701 1.00 0.00 C ATOM 321 O LYS A 52 -23.625 -8.487 1.623 1.00 0.00 O ATOM 322 CB LYS A 52 -22.901 -5.431 1.614 1.00 0.00 C ATOM 323 CG LYS A 52 -21.902 -4.513 2.331 1.00 0.00 C ATOM 324 CD LYS A 52 -21.172 -5.221 3.489 1.00 0.00 C ATOM 325 CE LYS A 52 -20.684 -4.216 4.552 1.00 0.00 C ATOM 326 NZ LYS A 52 -19.560 -3.347 4.097 1.00 0.00 N ATOM 0 H LYS A 52 -21.670 -5.229 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.503 -7.107 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.442 -4.845 0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.635 -5.782 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.168 -4.149 1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.429 -3.641 2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.841 -5.946 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.321 -5.778 3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -21.520 -3.584 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -20.368 -4.766 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.602 -2.435 4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.654 -3.814 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.639 -3.185 3.073 1.00 0.00 H new ATOM 340 N ASN A 53 -23.939 -7.806 -0.498 1.00 0.00 N ATOM 341 CA ASN A 53 -24.883 -8.873 -0.855 1.00 0.00 C ATOM 342 C ASN A 53 -24.239 -10.269 -0.822 1.00 0.00 C ATOM 343 O ASN A 53 -24.952 -11.273 -0.799 1.00 0.00 O ATOM 344 CB ASN A 53 -25.469 -8.592 -2.247 1.00 0.00 C ATOM 345 CG ASN A 53 -26.527 -9.615 -2.655 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.300 -10.447 -3.531 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.703 -9.581 -2.040 1.00 0.00 N ATOM 0 H ASN A 53 -23.774 -7.137 -1.250 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.676 -8.875 -0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.910 -7.595 -2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.665 -8.593 -2.983 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.430 -10.250 -2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.879 -8.886 -1.315 1.00 0.00 H new ATOM 354 N GLY A 54 -22.906 -10.347 -0.784 1.00 0.00 N ATOM 355 CA GLY A 54 -22.139 -11.572 -0.893 1.00 0.00 C ATOM 356 C GLY A 54 -21.932 -11.952 -2.356 1.00 0.00 C ATOM 357 O GLY A 54 -22.558 -11.396 -3.259 1.00 0.00 O ATOM 0 H GLY A 54 -22.317 -9.522 -0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.173 -11.446 -0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.656 -12.378 -0.373 1.00 0.00 H new ATOM 361 N ILE A 55 -21.022 -12.900 -2.586 1.00 0.00 N ATOM 362 CA ILE A 55 -20.641 -13.379 -3.910 1.00 0.00 C ATOM 363 C ILE A 55 -20.378 -14.870 -3.786 1.00 0.00 C ATOM 364 O ILE A 55 -19.629 -15.291 -2.912 1.00 0.00 O ATOM 365 CB ILE A 55 -19.431 -12.575 -4.475 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.428 -12.049 -3.412 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.917 -11.385 -5.317 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.313 -11.143 -3.962 1.00 0.00 C ATOM 0 H ILE A 55 -20.517 -13.367 -1.833 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.438 -13.220 -4.636 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.888 -13.300 -5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.982 -11.497 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.969 -12.903 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.057 -10.837 -5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.518 -11.750 -6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.521 -10.723 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.665 -10.827 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.727 -11.693 -4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.756 -10.266 -4.433 1.00 0.00 H new ATOM 380 N VAL A 56 -21.043 -15.671 -4.615 1.00 0.00 N ATOM 381 CA VAL A 56 -20.892 -17.130 -4.662 1.00 0.00 C ATOM 382 C VAL A 56 -19.463 -17.486 -5.073 1.00 0.00 C ATOM 383 O VAL A 56 -18.891 -16.748 -5.861 1.00 0.00 O ATOM 384 CB VAL A 56 -21.955 -17.722 -5.614 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.361 -17.576 -5.022 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.941 -17.095 -7.024 1.00 0.00 C ATOM 0 H VAL A 56 -21.720 -15.318 -5.291 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.058 -17.567 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.693 -18.775 -5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -24.092 -18.000 -5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.411 -18.104 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.581 -16.520 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.714 -17.560 -7.637 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.133 -16.025 -6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.966 -17.257 -7.485 1.00 0.00 H new ATOM 396 N LEU A 57 -18.874 -18.595 -4.605 1.00 0.00 N ATOM 397 CA LEU A 57 -17.448 -18.903 -4.859 1.00 0.00 C ATOM 398 C LEU A 57 -16.922 -18.733 -6.315 1.00 0.00 C ATOM 399 O LEU A 57 -15.800 -18.250 -6.440 1.00 0.00 O ATOM 400 CB LEU A 57 -16.953 -20.215 -4.204 1.00 0.00 C ATOM 401 CG LEU A 57 -17.304 -21.544 -4.916 1.00 0.00 C ATOM 402 CD1 LEU A 57 -16.517 -22.693 -4.279 1.00 0.00 C ATOM 403 CD2 LEU A 57 -18.796 -21.909 -4.862 1.00 0.00 C ATOM 0 H LEU A 57 -19.358 -19.298 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.973 -18.077 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.868 -20.158 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.355 -20.259 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.040 -21.395 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.766 -23.627 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.449 -22.501 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.776 -22.770 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -18.959 -22.853 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.109 -22.010 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -19.380 -21.124 -5.342 1.00 0.00 H new ATOM 415 N PRO A 58 -17.641 -19.029 -7.428 1.00 0.00 N ATOM 416 CA PRO A 58 -17.121 -18.713 -8.767 1.00 0.00 C ATOM 417 C PRO A 58 -17.158 -17.205 -9.052 1.00 0.00 C ATOM 418 O PRO A 58 -16.216 -16.637 -9.601 1.00 0.00 O ATOM 419 CB PRO A 58 -18.000 -19.506 -9.744 1.00 0.00 C ATOM 420 CG PRO A 58 -19.332 -19.652 -9.011 1.00 0.00 C ATOM 421 CD PRO A 58 -18.884 -19.788 -7.556 1.00 0.00 C ATOM 0 HA PRO A 58 -16.071 -18.990 -8.864 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.121 -18.978 -10.690 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.563 -20.478 -9.975 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.976 -18.785 -9.160 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.890 -20.525 -9.349 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.645 -19.401 -6.879 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.727 -20.835 -7.295 1.00 0.00 H new ATOM 429 N ARG A 59 -18.227 -16.529 -8.623 1.00 0.00 N ATOM 430 CA ARG A 59 -18.373 -15.078 -8.726 1.00 0.00 C ATOM 431 C ARG A 59 -17.349 -14.378 -7.836 1.00 0.00 C ATOM 432 O ARG A 59 -16.881 -13.305 -8.195 1.00 0.00 O ATOM 433 CB ARG A 59 -19.823 -14.710 -8.367 1.00 0.00 C ATOM 434 CG ARG A 59 -20.175 -13.248 -8.663 1.00 0.00 C ATOM 435 CD ARG A 59 -21.669 -12.954 -8.465 1.00 0.00 C ATOM 436 NE ARG A 59 -22.501 -13.570 -9.521 1.00 0.00 N ATOM 437 CZ ARG A 59 -23.839 -13.528 -9.601 1.00 0.00 C ATOM 438 NH1 ARG A 59 -24.554 -12.854 -8.702 1.00 0.00 N ATOM 439 NH2 ARG A 59 -24.462 -14.166 -10.587 1.00 0.00 N ATOM 0 H ARG A 59 -19.029 -16.985 -8.187 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.176 -14.740 -9.743 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.502 -15.358 -8.922 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.988 -14.908 -7.308 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.590 -12.597 -8.013 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.893 -13.010 -9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -21.986 -13.327 -7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.829 -11.876 -8.461 1.00 0.00 H new ATOM 0 HE ARG A 59 -22.010 -14.075 -10.259 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -24.084 -12.362 -7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.571 -12.830 -8.774 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.922 -14.685 -11.280 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -25.480 -14.136 -10.651 1.00 0.00 H new ATOM 453 N LEU A 60 -16.968 -14.992 -6.712 1.00 0.00 N ATOM 454 CA LEU A 60 -15.913 -14.504 -5.841 1.00 0.00 C ATOM 455 C LEU A 60 -14.640 -14.373 -6.667 1.00 0.00 C ATOM 456 O LEU A 60 -14.090 -13.280 -6.725 1.00 0.00 O ATOM 457 CB LEU A 60 -15.740 -15.432 -4.617 1.00 0.00 C ATOM 458 CG LEU A 60 -14.708 -15.002 -3.566 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.272 -15.298 -3.993 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.859 -13.534 -3.173 1.00 0.00 C ATOM 0 H LEU A 60 -17.396 -15.857 -6.383 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.168 -13.524 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.707 -15.529 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.465 -16.423 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.918 -15.609 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.586 -14.973 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.155 -16.369 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.050 -14.763 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.107 -13.278 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.725 -12.906 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.853 -13.369 -2.757 1.00 0.00 H new ATOM 472 N GLN A 61 -14.217 -15.446 -7.350 1.00 0.00 N ATOM 473 CA GLN A 61 -13.060 -15.423 -8.247 1.00 0.00 C ATOM 474 C GLN A 61 -13.216 -14.351 -9.323 1.00 0.00 C ATOM 475 O GLN A 61 -12.270 -13.605 -9.560 1.00 0.00 O ATOM 476 CB GLN A 61 -12.862 -16.806 -8.906 1.00 0.00 C ATOM 477 CG GLN A 61 -11.938 -17.738 -8.109 1.00 0.00 C ATOM 478 CD GLN A 61 -10.461 -17.546 -8.484 1.00 0.00 C ATOM 479 OE1 GLN A 61 -9.916 -16.451 -8.381 1.00 0.00 O ATOM 480 NE2 GLN A 61 -9.761 -18.585 -8.927 1.00 0.00 N ATOM 0 H GLN A 61 -14.672 -16.357 -7.293 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.180 -15.183 -7.650 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.834 -17.285 -9.025 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.451 -16.668 -9.906 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.068 -17.552 -7.043 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.226 -18.774 -8.289 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.205 -19.499 -9.016 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.779 -18.469 -9.178 1.00 0.00 H new ATOM 489 N GLY A 62 -14.388 -14.251 -9.958 1.00 0.00 N ATOM 490 CA GLY A 62 -14.614 -13.289 -11.027 1.00 0.00 C ATOM 491 C GLY A 62 -14.398 -11.853 -10.540 1.00 0.00 C ATOM 492 O GLY A 62 -13.593 -11.122 -11.112 1.00 0.00 O ATOM 0 H GLY A 62 -15.198 -14.833 -9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.939 -13.499 -11.857 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.630 -13.397 -11.407 1.00 0.00 H new ATOM 496 N GLU A 63 -15.075 -11.451 -9.463 1.00 0.00 N ATOM 497 CA GLU A 63 -15.022 -10.075 -8.974 1.00 0.00 C ATOM 498 C GLU A 63 -13.658 -9.771 -8.330 1.00 0.00 C ATOM 499 O GLU A 63 -13.103 -8.684 -8.531 1.00 0.00 O ATOM 500 CB GLU A 63 -16.176 -9.833 -7.989 1.00 0.00 C ATOM 501 CG GLU A 63 -17.559 -9.917 -8.648 1.00 0.00 C ATOM 502 CD GLU A 63 -17.757 -8.831 -9.720 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.769 -7.627 -9.361 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.900 -9.170 -10.916 1.00 0.00 O ATOM 0 H GLU A 63 -15.671 -12.066 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.137 -9.393 -9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.119 -10.566 -7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.057 -8.850 -7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.685 -10.900 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.330 -9.817 -7.885 1.00 0.00 H new ATOM 511 N TYR A 64 -13.085 -10.755 -7.620 1.00 0.00 N ATOM 512 CA TYR A 64 -11.710 -10.706 -7.133 1.00 0.00 C ATOM 513 C TYR A 64 -10.795 -10.335 -8.294 1.00 0.00 C ATOM 514 O TYR A 64 -10.050 -9.359 -8.205 1.00 0.00 O ATOM 515 CB TYR A 64 -11.315 -12.056 -6.521 1.00 0.00 C ATOM 516 CG TYR A 64 -9.828 -12.249 -6.307 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.032 -12.738 -7.361 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.238 -11.946 -5.067 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.655 -12.902 -7.183 1.00 0.00 C ATOM 520 CE2 TYR A 64 -7.858 -12.140 -4.875 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.062 -12.621 -5.940 1.00 0.00 C ATOM 522 OH TYR A 64 -5.727 -12.808 -5.776 1.00 0.00 O ATOM 0 H TYR A 64 -13.574 -11.614 -7.368 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.615 -9.953 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.822 -12.166 -5.563 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.680 -12.853 -7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.486 -12.987 -8.309 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.846 -11.564 -4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.044 -13.246 -8.004 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.408 -11.922 -3.918 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.237 -12.134 -6.291 1.00 0.00 H new ATOM 532 N ARG A 65 -10.890 -11.082 -9.398 1.00 0.00 N ATOM 533 CA ARG A 65 -10.014 -10.908 -10.539 1.00 0.00 C ATOM 534 C ARG A 65 -10.222 -9.544 -11.179 1.00 0.00 C ATOM 535 O ARG A 65 -9.239 -8.941 -11.606 1.00 0.00 O ATOM 536 CB ARG A 65 -10.233 -12.060 -11.522 1.00 0.00 C ATOM 537 CG ARG A 65 -9.328 -11.878 -12.748 1.00 0.00 C ATOM 538 CD ARG A 65 -9.120 -13.200 -13.476 1.00 0.00 C ATOM 539 NE ARG A 65 -7.898 -13.147 -14.290 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.798 -13.071 -15.624 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.888 -13.026 -16.387 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.599 -13.040 -16.198 1.00 0.00 N ATOM 0 H ARG A 65 -11.581 -11.823 -9.517 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.974 -10.936 -10.215 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.015 -13.011 -11.036 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.278 -12.092 -11.832 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.773 -11.151 -13.428 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.364 -11.475 -12.436 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.049 -14.013 -12.754 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.980 -13.412 -14.112 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.017 -13.171 -13.776 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.813 -13.049 -15.957 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.798 -12.968 -17.401 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.757 -13.074 -15.623 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.521 -12.982 -17.213 1.00 0.00 H new ATOM 556 N SER A 66 -11.454 -9.035 -11.242 1.00 0.00 N ATOM 557 CA SER A 66 -11.690 -7.694 -11.748 1.00 0.00 C ATOM 558 C SER A 66 -10.892 -6.658 -10.945 1.00 0.00 C ATOM 559 O SER A 66 -10.385 -5.704 -11.546 1.00 0.00 O ATOM 560 CB SER A 66 -13.187 -7.365 -11.738 1.00 0.00 C ATOM 561 OG SER A 66 -13.924 -8.319 -12.493 1.00 0.00 O ATOM 0 H SER A 66 -12.295 -9.533 -10.949 1.00 0.00 H new ATOM 0 HA SER A 66 -11.344 -7.655 -12.781 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.552 -7.348 -10.711 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.347 -6.368 -12.150 1.00 0.00 H new ATOM 0 HG SER A 66 -13.899 -9.186 -12.037 1.00 0.00 H new ATOM 567 N LEU A 67 -10.733 -6.840 -9.623 1.00 0.00 N ATOM 568 CA LEU A 67 -9.896 -5.933 -8.831 1.00 0.00 C ATOM 569 C LEU A 67 -8.396 -6.220 -8.998 1.00 0.00 C ATOM 570 O LEU A 67 -7.638 -5.291 -9.278 1.00 0.00 O ATOM 571 CB LEU A 67 -10.295 -5.967 -7.346 1.00 0.00 C ATOM 572 CG LEU A 67 -9.480 -4.977 -6.484 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.676 -3.511 -6.899 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.870 -5.113 -5.010 1.00 0.00 C ATOM 0 H LEU A 67 -11.166 -7.595 -9.091 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.073 -4.929 -9.215 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.356 -5.734 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.156 -6.977 -6.960 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.433 -5.236 -6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.077 -2.867 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.362 -3.381 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.728 -3.243 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.289 -4.410 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.932 -4.897 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.668 -6.129 -4.672 1.00 0.00 H new ATOM 586 N THR A 68 -7.944 -7.462 -8.806 1.00 0.00 N ATOM 587 CA THR A 68 -6.514 -7.783 -8.728 1.00 0.00 C ATOM 588 C THR A 68 -5.821 -7.854 -10.090 1.00 0.00 C ATOM 589 O THR A 68 -4.634 -7.535 -10.195 1.00 0.00 O ATOM 590 CB THR A 68 -6.351 -9.174 -8.103 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.220 -10.080 -8.754 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.687 -9.149 -6.624 1.00 0.00 C ATOM 0 H THR A 68 -8.555 -8.272 -8.700 1.00 0.00 H new ATOM 0 HA THR A 68 -6.061 -6.982 -8.144 1.00 0.00 H new ATOM 0 HB THR A 68 -5.313 -9.485 -8.221 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.309 -10.893 -8.214 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.563 -10.148 -6.206 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.020 -8.456 -6.111 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.719 -8.825 -6.491 1.00 0.00 H new ATOM 600 N GLY A 69 -6.549 -8.277 -11.122 1.00 0.00 N ATOM 601 CA GLY A 69 -5.976 -8.633 -12.410 1.00 0.00 C ATOM 602 C GLY A 69 -5.300 -10.012 -12.314 1.00 0.00 C ATOM 603 O GLY A 69 -4.398 -10.301 -13.107 1.00 0.00 O ATOM 0 H GLY A 69 -7.563 -8.382 -11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.755 -8.651 -13.173 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.248 -7.881 -12.715 1.00 0.00 H new ATOM 607 N ASP A 70 -5.697 -10.857 -11.348 1.00 0.00 N ATOM 608 CA ASP A 70 -5.082 -12.159 -11.056 1.00 0.00 C ATOM 609 C ASP A 70 -6.165 -13.170 -10.672 1.00 0.00 C ATOM 610 O ASP A 70 -7.314 -12.796 -10.444 1.00 0.00 O ATOM 611 CB ASP A 70 -4.073 -12.026 -9.894 1.00 0.00 C ATOM 612 CG ASP A 70 -3.061 -13.192 -9.805 1.00 0.00 C ATOM 613 OD1 ASP A 70 -2.995 -14.051 -10.718 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.315 -13.241 -8.800 1.00 0.00 O ATOM 0 H ASP A 70 -6.480 -10.644 -10.730 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.558 -12.504 -11.947 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.525 -11.090 -10.007 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.622 -11.962 -8.955 1.00 0.00 H new ATOM 619 N TRP A 71 -5.816 -14.446 -10.566 1.00 0.00 N ATOM 620 CA TRP A 71 -6.660 -15.492 -10.004 1.00 0.00 C ATOM 621 C TRP A 71 -6.215 -15.735 -8.560 1.00 0.00 C ATOM 622 O TRP A 71 -5.050 -15.521 -8.220 1.00 0.00 O ATOM 623 CB TRP A 71 -6.496 -16.778 -10.815 1.00 0.00 C ATOM 624 CG TRP A 71 -6.951 -16.695 -12.238 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.153 -16.747 -13.325 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.308 -16.545 -12.754 1.00 0.00 C ATOM 627 NE1 TRP A 71 -6.917 -16.663 -14.472 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.258 -16.526 -14.181 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.577 -16.382 -12.156 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.408 -16.371 -14.973 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.729 -16.198 -12.938 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.654 -16.207 -14.342 1.00 0.00 C ATOM 0 H TRP A 71 -4.909 -14.792 -10.879 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.707 -15.190 -10.033 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.445 -17.065 -10.802 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.050 -17.575 -10.319 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.077 -16.840 -13.301 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.537 -16.698 -15.418 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.663 -16.399 -11.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.336 -16.378 -16.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.683 -16.048 -12.455 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.550 -16.088 -14.934 1.00 0.00 H new ATOM 643 N ILE A 72 -7.138 -16.178 -7.703 1.00 0.00 N ATOM 644 CA ILE A 72 -6.821 -16.516 -6.320 1.00 0.00 C ATOM 645 C ILE A 72 -5.741 -17.605 -6.309 1.00 0.00 C ATOM 646 O ILE A 72 -5.892 -18.619 -7.001 1.00 0.00 O ATOM 647 CB ILE A 72 -8.103 -16.929 -5.562 1.00 0.00 C ATOM 648 CG1 ILE A 72 -8.764 -15.628 -5.084 1.00 0.00 C ATOM 649 CG2 ILE A 72 -7.861 -17.898 -4.392 1.00 0.00 C ATOM 650 CD1 ILE A 72 -10.167 -15.803 -4.531 1.00 0.00 C ATOM 0 H ILE A 72 -8.119 -16.311 -7.949 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.422 -15.648 -5.795 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.749 -17.491 -6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.137 -15.178 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.800 -14.926 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.811 -18.137 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.403 -18.813 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.197 -17.431 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.558 -14.835 -4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.813 -16.222 -5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -10.139 -16.478 -3.675 1.00 0.00 H new ATOM 662 N PRO A 73 -4.691 -17.453 -5.484 1.00 0.00 N ATOM 663 CA PRO A 73 -3.645 -18.444 -5.337 1.00 0.00 C ATOM 664 C PRO A 73 -4.073 -19.578 -4.380 1.00 0.00 C ATOM 665 O PRO A 73 -3.321 -19.884 -3.467 1.00 0.00 O ATOM 666 CB PRO A 73 -2.419 -17.636 -4.875 1.00 0.00 C ATOM 667 CG PRO A 73 -3.045 -16.555 -4.005 1.00 0.00 C ATOM 668 CD PRO A 73 -4.353 -16.253 -4.729 1.00 0.00 C ATOM 0 HA PRO A 73 -3.416 -18.979 -6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.715 -18.251 -4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.871 -17.213 -5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.218 -16.905 -2.987 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.408 -15.673 -3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.142 -16.006 -4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.241 -15.395 -5.392 1.00 0.00 H new ATOM 676 N PHE A 74 -5.265 -20.183 -4.494 1.00 0.00 N ATOM 677 CA PHE A 74 -5.737 -21.168 -3.507 1.00 0.00 C ATOM 678 C PHE A 74 -4.802 -22.372 -3.440 1.00 0.00 C ATOM 679 O PHE A 74 -4.160 -22.595 -2.416 1.00 0.00 O ATOM 680 CB PHE A 74 -7.204 -21.570 -3.747 1.00 0.00 C ATOM 681 CG PHE A 74 -7.520 -22.294 -5.043 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.668 -21.594 -6.258 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.669 -23.694 -5.033 1.00 0.00 C ATOM 684 CE1 PHE A 74 -7.954 -22.286 -7.447 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.980 -24.387 -6.217 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.116 -23.682 -7.427 1.00 0.00 C ATOM 0 H PHE A 74 -5.919 -20.009 -5.257 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.713 -20.691 -2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.520 -22.205 -2.919 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.813 -20.667 -3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.561 -20.519 -6.275 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.544 -24.240 -4.110 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.049 -21.745 -8.377 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.114 -25.458 -6.197 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.345 -24.213 -8.339 1.00 0.00 H new ATOM 696 N LYS A 75 -4.656 -23.102 -4.541 1.00 0.00 N ATOM 697 CA LYS A 75 -3.825 -24.301 -4.613 1.00 0.00 C ATOM 698 C LYS A 75 -2.340 -23.947 -4.518 1.00 0.00 C ATOM 699 O LYS A 75 -1.527 -24.752 -4.064 1.00 0.00 O ATOM 700 CB LYS A 75 -4.188 -25.017 -5.921 1.00 0.00 C ATOM 701 CG LYS A 75 -3.650 -26.460 -5.956 1.00 0.00 C ATOM 702 CD LYS A 75 -4.065 -27.246 -7.212 1.00 0.00 C ATOM 703 CE LYS A 75 -5.583 -27.497 -7.282 1.00 0.00 C ATOM 704 NZ LYS A 75 -5.958 -28.355 -8.438 1.00 0.00 N ATOM 0 H LYS A 75 -5.118 -22.875 -5.422 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.013 -24.967 -3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.272 -25.031 -6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.783 -24.458 -6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.562 -26.434 -5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.004 -26.991 -5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.750 -26.697 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.542 -28.202 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.914 -27.970 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.104 -26.543 -7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.988 -28.497 -8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.666 -27.893 -9.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.482 -29.276 -8.356 1.00 0.00 H new ATOM 718 N GLN A 76 -2.007 -22.722 -4.916 1.00 0.00 N ATOM 719 CA GLN A 76 -0.671 -22.166 -4.946 1.00 0.00 C ATOM 720 C GLN A 76 -0.220 -21.856 -3.505 1.00 0.00 C ATOM 721 O GLN A 76 0.929 -22.125 -3.149 1.00 0.00 O ATOM 722 CB GLN A 76 -0.681 -20.929 -5.871 1.00 0.00 C ATOM 723 CG GLN A 76 -1.219 -21.146 -7.316 1.00 0.00 C ATOM 724 CD GLN A 76 -2.735 -20.930 -7.497 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.553 -21.422 -6.730 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.189 -20.184 -8.495 1.00 0.00 N ATOM 0 H GLN A 76 -2.708 -22.058 -5.244 1.00 0.00 H new ATOM 0 HA GLN A 76 0.055 -22.870 -5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.282 -20.153 -5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.337 -20.546 -5.940 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.690 -20.470 -7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.974 -22.161 -7.628 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.535 -19.759 -9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.192 -20.035 -8.605 1.00 0.00 H new ATOM 735 N LEU A 77 -1.124 -21.346 -2.651 1.00 0.00 N ATOM 736 CA LEU A 77 -0.933 -21.190 -1.204 1.00 0.00 C ATOM 737 C LEU A 77 -1.028 -22.556 -0.502 1.00 0.00 C ATOM 738 O LEU A 77 -0.376 -22.754 0.525 1.00 0.00 O ATOM 739 CB LEU A 77 -1.971 -20.223 -0.604 1.00 0.00 C ATOM 740 CG LEU A 77 -1.787 -18.733 -0.971 1.00 0.00 C ATOM 741 CD1 LEU A 77 -3.014 -17.909 -0.543 1.00 0.00 C ATOM 742 CD2 LEU A 77 -0.542 -18.111 -0.321 1.00 0.00 C ATOM 0 H LEU A 77 -2.039 -21.021 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 77 0.060 -20.770 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.963 -20.538 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.944 -20.317 0.482 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.665 -18.706 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.862 -16.864 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.902 -18.288 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.149 -17.991 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.463 -17.064 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.625 -18.179 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.347 -18.648 -0.651 1.00 0.00 H new ATOM 754 N GLY A 78 -1.783 -23.503 -1.074 1.00 0.00 N ATOM 755 CA GLY A 78 -1.853 -24.899 -0.641 1.00 0.00 C ATOM 756 C GLY A 78 -3.236 -25.344 -0.159 1.00 0.00 C ATOM 757 O GLY A 78 -3.370 -26.460 0.351 1.00 0.00 O ATOM 0 H GLY A 78 -2.381 -23.309 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.547 -25.539 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.134 -25.053 0.164 1.00 0.00 H new ATOM 761 N TYR A 79 -4.262 -24.501 -0.304 1.00 0.00 N ATOM 762 CA TYR A 79 -5.648 -24.849 -0.001 1.00 0.00 C ATOM 763 C TYR A 79 -6.200 -25.644 -1.187 1.00 0.00 C ATOM 764 O TYR A 79 -5.948 -25.250 -2.325 1.00 0.00 O ATOM 765 CB TYR A 79 -6.468 -23.569 0.192 1.00 0.00 C ATOM 766 CG TYR A 79 -5.827 -22.641 1.194 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.912 -22.927 2.566 1.00 0.00 C ATOM 768 CD2 TYR A 79 -5.133 -21.505 0.750 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.276 -22.089 3.493 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.503 -20.662 1.674 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.563 -20.951 3.056 1.00 0.00 C ATOM 772 OH TYR A 79 -3.934 -20.124 3.943 1.00 0.00 O ATOM 0 H TYR A 79 -4.149 -23.545 -0.640 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.705 -25.440 0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.572 -23.056 -0.764 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.473 -23.827 0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.465 -23.790 2.906 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.085 -21.281 -0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.332 -22.315 4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.970 -19.788 1.329 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.495 -19.395 3.456 1.00 0.00 H new ATOM 782 N PRO A 80 -6.966 -26.724 -0.978 1.00 0.00 N ATOM 783 CA PRO A 80 -7.374 -27.574 -2.088 1.00 0.00 C ATOM 784 C PRO A 80 -8.396 -26.905 -3.012 1.00 0.00 C ATOM 785 O PRO A 80 -8.449 -27.253 -4.195 1.00 0.00 O ATOM 786 CB PRO A 80 -7.940 -28.845 -1.440 1.00 0.00 C ATOM 787 CG PRO A 80 -8.412 -28.361 -0.068 1.00 0.00 C ATOM 788 CD PRO A 80 -7.336 -27.333 0.290 1.00 0.00 C ATOM 0 HA PRO A 80 -6.527 -27.790 -2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.761 -29.263 -2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.182 -29.624 -1.353 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.405 -27.914 -0.112 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.459 -29.173 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.717 -26.589 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.478 -27.808 0.766 1.00 0.00 H new ATOM 796 N THR A 81 -9.193 -25.959 -2.503 1.00 0.00 N ATOM 797 CA THR A 81 -10.334 -25.398 -3.214 1.00 0.00 C ATOM 798 C THR A 81 -10.456 -23.912 -2.891 1.00 0.00 C ATOM 799 O THR A 81 -9.868 -23.427 -1.917 1.00 0.00 O ATOM 800 CB THR A 81 -11.593 -26.177 -2.767 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.605 -26.206 -1.347 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.635 -27.621 -3.275 1.00 0.00 C ATOM 0 H THR A 81 -9.057 -25.560 -1.574 1.00 0.00 H new ATOM 0 HA THR A 81 -10.213 -25.491 -4.293 1.00 0.00 H new ATOM 0 HB THR A 81 -12.458 -25.666 -3.188 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.301 -26.823 -1.038 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.546 -28.105 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.622 -27.624 -4.365 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.767 -28.164 -2.900 1.00 0.00 H new ATOM 810 N LEU A 82 -11.278 -23.190 -3.667 1.00 0.00 N ATOM 811 CA LEU A 82 -11.632 -21.806 -3.351 1.00 0.00 C ATOM 812 C LEU A 82 -12.342 -21.761 -2.013 1.00 0.00 C ATOM 813 O LEU A 82 -12.049 -20.867 -1.224 1.00 0.00 O ATOM 814 CB LEU A 82 -12.544 -21.181 -4.431 1.00 0.00 C ATOM 815 CG LEU A 82 -11.865 -20.685 -5.723 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.711 -19.720 -5.431 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.358 -21.835 -6.594 1.00 0.00 C ATOM 0 H LEU A 82 -11.709 -23.547 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.709 -21.227 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.297 -21.920 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.072 -20.340 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.639 -20.151 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.261 -19.396 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.090 -18.852 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.959 -20.225 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.888 -21.432 -7.491 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.629 -22.421 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.195 -22.473 -6.878 1.00 0.00 H new ATOM 829 N GLU A 83 -13.226 -22.725 -1.726 1.00 0.00 N ATOM 830 CA GLU A 83 -13.899 -22.742 -0.438 1.00 0.00 C ATOM 831 C GLU A 83 -12.860 -22.882 0.667 1.00 0.00 C ATOM 832 O GLU A 83 -12.902 -22.079 1.585 1.00 0.00 O ATOM 833 CB GLU A 83 -15.036 -23.780 -0.365 1.00 0.00 C ATOM 834 CG GLU A 83 -14.612 -25.248 -0.255 1.00 0.00 C ATOM 835 CD GLU A 83 -15.823 -26.182 -0.114 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.437 -26.553 -1.146 1.00 0.00 O ATOM 837 OE2 GLU A 83 -16.160 -26.549 1.038 1.00 0.00 O ATOM 0 H GLU A 83 -13.482 -23.484 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.413 -21.791 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.663 -23.540 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.657 -23.669 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.038 -25.528 -1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.954 -25.373 0.605 1.00 0.00 H new ATOM 844 N ALA A 84 -11.893 -23.801 0.574 1.00 0.00 N ATOM 845 CA ALA A 84 -10.909 -24.016 1.638 1.00 0.00 C ATOM 846 C ALA A 84 -10.060 -22.765 1.870 1.00 0.00 C ATOM 847 O ALA A 84 -9.817 -22.389 3.019 1.00 0.00 O ATOM 848 CB ALA A 84 -10.033 -25.221 1.301 1.00 0.00 C ATOM 0 H ALA A 84 -11.771 -24.412 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.442 -24.221 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.304 -25.375 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.657 -26.109 1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.512 -25.040 0.361 1.00 0.00 H new ATOM 854 N TYR A 85 -9.662 -22.082 0.797 1.00 0.00 N ATOM 855 CA TYR A 85 -9.001 -20.789 0.894 1.00 0.00 C ATOM 856 C TYR A 85 -9.882 -19.794 1.667 1.00 0.00 C ATOM 857 O TYR A 85 -9.413 -19.176 2.621 1.00 0.00 O ATOM 858 CB TYR A 85 -8.664 -20.299 -0.518 1.00 0.00 C ATOM 859 CG TYR A 85 -8.264 -18.843 -0.566 1.00 0.00 C ATOM 860 CD1 TYR A 85 -7.007 -18.451 -0.080 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.154 -17.887 -1.084 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.623 -17.101 -0.097 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.777 -16.532 -1.110 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.512 -16.134 -0.618 1.00 0.00 C ATOM 865 OH TYR A 85 -7.154 -14.818 -0.642 1.00 0.00 O ATOM 0 H TYR A 85 -9.790 -22.412 -0.160 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.070 -20.880 1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.853 -20.905 -0.921 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.528 -20.453 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.329 -19.195 0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.120 -18.190 -1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.657 -16.804 0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.456 -15.792 -1.507 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.760 -14.325 -1.234 1.00 0.00 H new ATOM 875 N LEU A 86 -11.171 -19.677 1.316 1.00 0.00 N ATOM 876 CA LEU A 86 -12.112 -18.781 1.987 1.00 0.00 C ATOM 877 C LEU A 86 -12.364 -19.182 3.453 1.00 0.00 C ATOM 878 O LEU A 86 -12.469 -18.301 4.307 1.00 0.00 O ATOM 879 CB LEU A 86 -13.423 -18.725 1.185 1.00 0.00 C ATOM 880 CG LEU A 86 -13.275 -18.049 -0.196 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.385 -18.513 -1.140 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.314 -16.526 -0.057 1.00 0.00 C ATOM 0 H LEU A 86 -11.589 -20.208 0.552 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.669 -17.786 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.797 -19.739 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.172 -18.186 1.766 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.311 -18.339 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.266 -18.027 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.327 -19.594 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.355 -18.249 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.208 -16.068 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.265 -16.225 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.497 -16.198 0.586 1.00 0.00 H new ATOM 894 N ARG A 87 -12.411 -20.484 3.777 1.00 0.00 N ATOM 895 CA ARG A 87 -12.463 -20.960 5.180 1.00 0.00 C ATOM 896 C ARG A 87 -11.259 -20.432 5.962 1.00 0.00 C ATOM 897 O ARG A 87 -11.385 -20.132 7.144 1.00 0.00 O ATOM 898 CB ARG A 87 -12.443 -22.508 5.317 1.00 0.00 C ATOM 899 CG ARG A 87 -13.768 -23.292 5.225 1.00 0.00 C ATOM 900 CD ARG A 87 -14.257 -23.448 3.783 1.00 0.00 C ATOM 901 NE ARG A 87 -15.173 -24.580 3.519 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.366 -24.872 4.062 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.855 -24.202 5.106 1.00 0.00 N ATOM 904 NH2 ARG A 87 -17.080 -25.861 3.538 1.00 0.00 N ATOM 0 H ARG A 87 -12.414 -21.234 3.086 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.409 -20.587 5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.779 -22.896 4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.988 -22.746 6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.634 -24.279 5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.531 -22.780 5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.760 -22.526 3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.386 -23.555 3.136 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.847 -25.242 2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.319 -23.439 5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.765 -24.452 5.492 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.720 -26.382 2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.989 -26.100 3.935 1.00 0.00 H new ATOM 918 N SER A 88 -10.100 -20.344 5.313 1.00 0.00 N ATOM 919 CA SER A 88 -8.812 -20.070 5.937 1.00 0.00 C ATOM 920 C SER A 88 -8.522 -18.570 6.159 1.00 0.00 C ATOM 921 O SER A 88 -7.391 -18.220 6.504 1.00 0.00 O ATOM 922 CB SER A 88 -7.721 -20.775 5.128 1.00 0.00 C ATOM 923 OG SER A 88 -8.015 -22.166 5.054 1.00 0.00 O ATOM 0 H SER A 88 -10.032 -20.466 4.303 1.00 0.00 H new ATOM 0 HA SER A 88 -8.833 -20.472 6.950 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.663 -20.350 4.126 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.749 -20.621 5.596 1.00 0.00 H new ATOM 0 HG SER A 88 -8.589 -22.338 4.279 1.00 0.00 H new ATOM 929 N VAL A 89 -9.512 -17.678 5.997 1.00 0.00 N ATOM 930 CA VAL A 89 -9.385 -16.240 6.263 1.00 0.00 C ATOM 931 C VAL A 89 -10.503 -15.747 7.221 1.00 0.00 C ATOM 932 O VAL A 89 -11.082 -14.685 7.005 1.00 0.00 O ATOM 933 CB VAL A 89 -9.236 -15.518 4.896 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.358 -15.858 3.900 1.00 0.00 C ATOM 935 CG2 VAL A 89 -9.038 -13.995 4.972 1.00 0.00 C ATOM 0 H VAL A 89 -10.441 -17.944 5.671 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.485 -15.990 6.826 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.300 -15.927 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.192 -15.320 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.359 -16.930 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.320 -15.565 4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.945 -13.589 3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.896 -13.541 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.133 -13.774 5.537 1.00 0.00 H new ATOM 945 N PRO A 90 -10.835 -16.465 8.318 1.00 0.00 N ATOM 946 CA PRO A 90 -12.022 -16.154 9.122 1.00 0.00 C ATOM 947 C PRO A 90 -11.912 -14.837 9.911 1.00 0.00 C ATOM 948 O PRO A 90 -12.927 -14.299 10.358 1.00 0.00 O ATOM 949 CB PRO A 90 -12.193 -17.360 10.058 1.00 0.00 C ATOM 950 CG PRO A 90 -10.759 -17.831 10.289 1.00 0.00 C ATOM 951 CD PRO A 90 -10.081 -17.544 8.951 1.00 0.00 C ATOM 0 HA PRO A 90 -12.886 -15.995 8.477 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.679 -17.079 10.992 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.804 -18.139 9.603 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.283 -17.289 11.106 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.718 -18.890 10.543 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.041 -17.253 9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.077 -18.434 8.321 1.00 0.00 H new ATOM 959 N ALA A 91 -10.693 -14.301 10.089 1.00 0.00 N ATOM 960 CA ALA A 91 -10.480 -13.051 10.811 1.00 0.00 C ATOM 961 C ALA A 91 -10.764 -11.815 9.947 1.00 0.00 C ATOM 962 O ALA A 91 -10.764 -10.698 10.471 1.00 0.00 O ATOM 963 CB ALA A 91 -9.045 -13.024 11.352 1.00 0.00 C ATOM 0 H ALA A 91 -9.836 -14.726 9.735 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.189 -13.012 11.638 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.878 -12.093 11.893 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.894 -13.867 12.026 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.342 -13.093 10.522 1.00 0.00 H new ATOM 969 N VAL A 92 -10.980 -11.985 8.635 1.00 0.00 N ATOM 970 CA VAL A 92 -11.113 -10.872 7.687 1.00 0.00 C ATOM 971 C VAL A 92 -12.304 -11.101 6.740 1.00 0.00 C ATOM 972 O VAL A 92 -12.871 -10.143 6.211 1.00 0.00 O ATOM 973 CB VAL A 92 -9.778 -10.689 6.920 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.764 -9.394 6.101 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.539 -10.664 7.836 1.00 0.00 C ATOM 0 H VAL A 92 -11.068 -12.904 8.200 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.321 -9.950 8.230 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.722 -11.561 6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.811 -9.304 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.576 -9.415 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.895 -8.541 6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.642 -10.533 7.231 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.625 -9.838 8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.473 -11.604 8.384 1.00 0.00 H new ATOM 985 N VAL A 93 -12.730 -12.350 6.556 1.00 0.00 N ATOM 986 CA VAL A 93 -13.737 -12.775 5.592 1.00 0.00 C ATOM 987 C VAL A 93 -14.667 -13.764 6.310 1.00 0.00 C ATOM 988 O VAL A 93 -14.352 -14.276 7.388 1.00 0.00 O ATOM 989 CB VAL A 93 -12.978 -13.353 4.373 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.791 -14.195 3.377 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.272 -12.217 3.608 1.00 0.00 C ATOM 0 H VAL A 93 -12.363 -13.129 7.103 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.373 -11.974 5.215 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.276 -14.057 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.139 -14.537 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.216 -15.057 3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.595 -13.589 2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.740 -12.631 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.013 -11.497 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.563 -11.719 4.269 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.844 -13.994 5.736 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.937 -14.780 6.304 1.00 0.00 C ATOM 1003 C ARG A 94 -17.577 -15.532 5.149 1.00 0.00 C ATOM 1004 O ARG A 94 -17.507 -15.063 4.017 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.892 -13.804 7.025 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.301 -14.338 7.358 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.080 -13.394 8.288 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.128 -12.009 7.780 1.00 0.00 N ATOM 1009 CZ ARG A 94 -20.394 -10.918 8.507 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -20.937 -11.023 9.717 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -20.109 -9.717 8.011 1.00 0.00 N ATOM 0 H ARG A 94 -16.074 -13.619 4.816 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.620 -15.514 7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.419 -13.488 7.955 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -18.002 -12.914 6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.862 -14.477 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.214 -15.317 7.829 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.097 -13.768 8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.618 -13.399 9.275 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.942 -11.872 6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -21.155 -11.943 10.100 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.135 -10.184 10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.691 -9.634 7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.308 -8.879 8.558 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.205 -16.672 5.403 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.834 -17.475 4.364 1.00 0.00 C ATOM 1027 C ILE A 95 -20.117 -18.109 4.905 1.00 0.00 C ATOM 1028 O ILE A 95 -20.227 -18.370 6.105 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.854 -18.541 3.812 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.321 -19.498 4.893 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.675 -17.894 3.064 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.367 -20.571 4.361 1.00 0.00 C ATOM 0 H ILE A 95 -18.293 -17.067 6.339 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.099 -16.828 3.528 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.441 -19.136 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.806 -18.916 5.657 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.165 -19.986 5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -16.009 -18.673 2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -17.053 -17.308 2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.126 -17.242 3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -16.036 -21.204 5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.882 -21.180 3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.502 -20.093 3.901 1.00 0.00 H new ATOM 1044 N GLU A 96 -21.053 -18.404 4.005 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.254 -19.177 4.271 1.00 0.00 C ATOM 1046 C GLU A 96 -22.308 -20.271 3.203 1.00 0.00 C ATOM 1047 O GLU A 96 -22.627 -20.003 2.042 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.509 -18.284 4.253 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.509 -17.241 5.385 1.00 0.00 C ATOM 1050 CD GLU A 96 -24.876 -16.550 5.577 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -25.620 -16.327 4.590 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -25.216 -16.222 6.740 1.00 0.00 O ATOM 0 H GLU A 96 -20.989 -18.097 3.034 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.228 -19.619 5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.573 -17.773 3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.397 -18.910 4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -23.221 -17.727 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.754 -16.484 5.173 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.934 -21.497 3.574 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.138 -22.673 2.735 1.00 0.00 C ATOM 1061 C ALA A 97 -23.610 -23.073 2.856 1.00 0.00 C ATOM 1062 O ALA A 97 -24.097 -23.328 3.961 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.205 -23.801 3.175 1.00 0.00 C ATOM 0 H ALA A 97 -21.481 -21.700 4.465 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.904 -22.459 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.366 -24.674 2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.170 -23.473 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.414 -24.062 4.213 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.476 -22.045 -1.845 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.032 -21.191 -0.753 1.00 0.00 C ATOM 1139 C ILE A 103 -21.039 -19.753 -1.247 1.00 0.00 C ATOM 1140 O ILE A 103 -20.642 -19.477 -2.380 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.696 -21.694 -0.133 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.064 -20.694 0.860 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.641 -22.209 -1.122 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.141 -19.641 0.221 1.00 0.00 C ATOM 0 HA ILE A 103 -21.718 -21.236 0.093 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.026 -22.573 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.864 -20.179 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.494 -21.253 1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.756 -22.531 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.048 -23.051 -1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.370 -21.411 -1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.746 -18.985 0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.316 -20.141 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.707 -19.051 -0.500 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.482 -18.853 -0.374 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.573 -17.422 -0.599 1.00 0.00 C ATOM 1158 C VAL A 104 -20.543 -16.788 0.335 1.00 0.00 C ATOM 1159 O VAL A 104 -20.418 -17.205 1.487 1.00 0.00 O ATOM 1160 CB VAL A 104 -23.019 -16.946 -0.314 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.244 -15.549 -0.912 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.096 -17.908 -0.864 1.00 0.00 C ATOM 0 H VAL A 104 -21.803 -19.121 0.556 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.360 -17.136 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.124 -16.922 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.264 -15.225 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.542 -14.845 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -23.086 -15.585 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.086 -17.517 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -23.986 -17.998 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -23.976 -18.889 -0.405 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.782 -15.818 -0.164 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.649 -15.219 0.533 1.00 0.00 C ATOM 1174 C CYS A 105 -19.008 -13.800 0.954 1.00 0.00 C ATOM 1175 O CYS A 105 -19.686 -13.113 0.195 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.424 -15.193 -0.401 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.295 -16.706 -1.403 1.00 0.00 S ATOM 0 H CYS A 105 -19.941 -15.417 -1.088 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.411 -15.809 1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.489 -14.327 -1.060 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.518 -15.074 0.193 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.181 -16.674 -2.354 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.484 -13.344 2.093 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.751 -12.044 2.701 1.00 0.00 C ATOM 1185 C TYR A 106 -17.488 -11.497 3.356 1.00 0.00 C ATOM 1186 O TYR A 106 -16.532 -12.234 3.583 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.817 -12.213 3.786 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.165 -12.608 3.251 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -22.001 -11.622 2.697 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.579 -13.951 3.311 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.287 -11.963 2.256 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.851 -14.304 2.828 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.713 -13.313 2.302 1.00 0.00 C ATOM 1194 OH TYR A 106 -24.947 -13.673 1.839 1.00 0.00 O ATOM 0 H TYR A 106 -17.829 -13.901 2.642 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.089 -11.355 1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.483 -12.968 4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.914 -11.277 4.337 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.652 -10.603 2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.925 -14.704 3.725 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.952 -11.198 1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.171 -15.335 2.859 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.068 -14.639 1.948 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.485 -10.208 3.699 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.369 -9.602 4.423 1.00 0.00 C ATOM 1206 C ALA A 107 -16.612 -9.696 5.932 1.00 0.00 C ATOM 1207 O ALA A 107 -17.741 -9.939 6.369 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.227 -8.131 4.024 1.00 0.00 C ATOM 0 H ALA A 107 -18.246 -9.563 3.486 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.454 -10.137 4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.394 -7.685 4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.041 -8.061 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.146 -7.598 4.268 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.564 -9.421 6.706 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.625 -9.273 8.164 1.00 0.00 C ATOM 1216 C VAL A 108 -14.721 -8.133 8.680 1.00 0.00 C ATOM 1217 O VAL A 108 -15.076 -7.513 9.687 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.364 -10.655 8.825 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.303 -10.694 9.935 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.670 -11.215 9.406 1.00 0.00 C ATOM 0 H VAL A 108 -14.625 -9.291 6.330 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.625 -8.956 8.459 1.00 0.00 H new ATOM 0 HB VAL A 108 -14.968 -11.258 8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.213 -11.711 10.316 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.343 -10.371 9.532 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.599 -10.028 10.745 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.477 -12.184 9.867 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.059 -10.527 10.157 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.402 -11.333 8.607 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.607 -7.817 8.008 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.719 -6.703 8.356 1.00 0.00 C ATOM 1232 C ALA A 109 -12.128 -6.122 7.066 1.00 0.00 C ATOM 1233 O ALA A 109 -12.767 -6.313 6.010 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.624 -7.175 9.330 1.00 0.00 C ATOM 1235 OXT ALA A 109 -11.056 -5.472 7.106 1.00 0.00 O ATOM 0 H ALA A 109 -13.292 -8.340 7.191 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.279 -5.919 8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.973 -6.337 9.579 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.087 -7.558 10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.036 -7.965 8.862 1.00 0.00 H new