USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 996 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 82 SER OG : rot -70:sc= 1.06 USER MOD Set 1.2: B 125 TYR OH : rot -118:sc= 0.0364 USER MOD Set 2.1: A 83 ASN : amide:sc= 0.511 K(o=2.3,f=-4.2) USER MOD Set 2.2: B 122 LYS NZ :NH3+ -147:sc= 1.83 (180deg=-2.2!) USER MOD Set 3.1: B 114 THR OG1 : rot 81:sc= 2.14 USER MOD Set 3.2: B 117 LYS NZ :NH3+ -140:sc= 2.34 (180deg=0.0998) USER MOD Set 4.1: B 103 GLN : amide:sc= 0.662 X(o=0.45,f=0.27) USER MOD Set 4.2: B 107 ASN : amide:sc= -0.215 X(o=0.45,f=0.27) USER MOD Set 5.1: A 125 TYR OH : rot 14:sc= 0.653 USER MOD Set 5.2: B 81 GLN : amide:sc= 1.9 K(o=2.5,f=0.08) USER MOD Set 6.1: A 123 LYS NZ :NH3+ 179:sc= 1.92 (180deg=1.7) USER MOD Set 6.2: B 82 SER OG : rot 38:sc= 0.546 USER MOD Set 7.1: A 122 LYS NZ :NH3+ -160:sc= 2.18 (180deg=-0.854) USER MOD Set 7.2: B 83 ASN : amide:sc= 0.671 K(o=2.8,f=-5.5) USER MOD Set 8.1: A 120 ASN : amide:sc= -1.55 K(o=-2.1,f=-3.9) USER MOD Set 8.2: B 120 ASN : amide:sc= -0.565 K(o=-2.1,f=-4.8!) USER MOD Set 9.1: A 114 THR OG1 : rot 83:sc= 1.59 USER MOD Set 9.2: A 117 LYS NZ :NH3+ 178:sc= 2.06 (180deg=1.23) USER MOD Set10.1: A 108 TYR OH : rot -173:sc= 1.07 USER MOD Set10.2: A 112 GLN : amide:sc= 0.882 K(o=2,f=-0.94!) USER MOD Set11.1: A 96 ASN : amide:sc= 0.795 K(o=1.8,f=1.2) USER MOD Set11.2: A 97 GLN : amide:sc= 0.983 K(o=1.8,f=0.66) USER MOD Set12.1: A 69 SER OG : rot 180:sc=-0.00416 USER MOD Set12.2: A 71 CYS SG : rot 160:sc= -0.117 USER MOD Single : A 79 TYR OH : rot 3:sc= 1.09 USER MOD Single : A 81 GLN : amide:sc= 1.06 K(o=1.1,f=-0.033) USER MOD Single : A 88 SER OG : rot -32:sc= 0.976 USER MOD Single : A 100 GLN : amide:sc= 1.26 K(o=1.3,f=-0.0031) USER MOD Single : A 101 SER OG : rot 36:sc= 1.2 USER MOD Single : A 103 GLN : amide:sc=-0.00253 X(o=-0.0025,f=0) USER MOD Single : A 107 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.83) USER MOD Single : A 111 THR OG1 : rot -24:sc= 1.22 USER MOD Single : A 115 TYR OH : rot 90:sc= 0.888 USER MOD Single : A 121 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : B 69 SER OG : rot 80:sc= 1.07 USER MOD Single : B 71 CYS SG : rot 50:sc= 1.27 USER MOD Single : B 79 TYR OH : rot 15:sc= 0 USER MOD Single : B 88 SER OG : rot 180:sc= -0.0278 USER MOD Single : B 96 ASN : amide:sc= 0.202 X(o=0.2,f=-0.29) USER MOD Single : B 97 GLN : amide:sc= 0.941 K(o=0.94,f=-3.1!) USER MOD Single : B 100 GLN : amide:sc= 1.43 K(o=1.4,f=-7.8!) USER MOD Single : B 101 SER OG : rot 60:sc= 1.32 USER MOD Single : B 108 TYR OH : rot 38:sc= 1.05 USER MOD Single : B 111 THR OG1 : rot 72:sc= 0.939 USER MOD Single : B 112 GLN : amide:sc= 1.12 K(o=1.1,f=-0.3) USER MOD Single : B 115 TYR OH : rot -24:sc= 0.783 USER MOD Single : B 121 GLN : amide:sc= 0.68 K(o=0.68,f=0) USER MOD Single : B 123 LYS NZ :NH3+ 178:sc= 2.07 (180deg=1.92) USER MOD ----------------------------------------------------------------- ATOM 114 N LEU A 68 -7.901 9.348 -6.066 1.00 0.00 N ATOM 115 CA LEU A 68 -8.545 8.070 -5.745 1.00 0.00 C ATOM 116 C LEU A 68 -9.746 7.806 -6.670 1.00 0.00 C ATOM 117 O LEU A 68 -10.750 8.516 -6.613 1.00 0.00 O ATOM 118 CB LEU A 68 -8.911 8.037 -4.252 1.00 0.00 C ATOM 119 CG LEU A 68 -7.695 8.204 -3.318 1.00 0.00 C ATOM 120 CD1 LEU A 68 -8.142 8.218 -1.853 1.00 0.00 C ATOM 121 CD2 LEU A 68 -6.675 7.075 -3.497 1.00 0.00 C ATOM 0 HA LEU A 68 -7.847 7.253 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.630 8.829 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.405 7.091 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.225 9.151 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.271 8.337 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.830 9.048 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.643 7.280 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.835 7.233 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.148 6.119 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.315 7.069 -4.526 1.00 0.00 H new ATOM 133 N SER A 69 -9.641 6.813 -7.559 1.00 0.00 N ATOM 134 CA SER A 69 -10.772 6.335 -8.359 1.00 0.00 C ATOM 135 C SER A 69 -11.883 5.786 -7.456 1.00 0.00 C ATOM 136 O SER A 69 -11.642 5.467 -6.297 1.00 0.00 O ATOM 137 CB SER A 69 -10.316 5.245 -9.332 1.00 0.00 C ATOM 138 OG SER A 69 -11.376 4.932 -10.223 1.00 0.00 O ATOM 0 H SER A 69 -8.769 6.318 -7.744 1.00 0.00 H new ATOM 0 HA SER A 69 -11.164 7.180 -8.926 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.444 5.584 -9.892 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.015 4.354 -8.781 1.00 0.00 H new ATOM 0 HG SER A 69 -11.084 4.235 -10.847 1.00 0.00 H new ATOM 144 N ALA A 70 -13.106 5.641 -7.961 1.00 0.00 N ATOM 145 CA ALA A 70 -14.231 5.218 -7.126 1.00 0.00 C ATOM 146 C ALA A 70 -13.997 3.858 -6.437 1.00 0.00 C ATOM 147 O ALA A 70 -14.302 3.681 -5.262 1.00 0.00 O ATOM 148 CB ALA A 70 -15.511 5.212 -7.964 1.00 0.00 C ATOM 0 H ALA A 70 -13.344 5.809 -8.939 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.332 5.939 -6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.350 4.897 -7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.699 6.215 -8.348 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.396 4.520 -8.798 1.00 0.00 H new ATOM 154 N CYS A 71 -13.413 2.894 -7.145 1.00 0.00 N ATOM 155 CA CYS A 71 -12.994 1.641 -6.530 1.00 0.00 C ATOM 156 C CYS A 71 -11.859 1.831 -5.512 1.00 0.00 C ATOM 157 O CYS A 71 -11.938 1.337 -4.391 1.00 0.00 O ATOM 158 CB CYS A 71 -12.625 0.631 -7.621 1.00 0.00 C ATOM 159 SG CYS A 71 -11.319 1.208 -8.733 1.00 0.00 S ATOM 0 H CYS A 71 -13.220 2.958 -8.145 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.834 1.248 -5.958 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.305 -0.299 -7.150 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -13.515 0.402 -8.208 1.00 0.00 H new ATOM 0 HG CYS A 71 -10.776 0.189 -9.331 1.00 0.00 H new ATOM 165 N GLU A 72 -10.797 2.551 -5.880 1.00 0.00 N ATOM 166 CA GLU A 72 -9.662 2.794 -4.994 1.00 0.00 C ATOM 167 C GLU A 72 -10.134 3.435 -3.676 1.00 0.00 C ATOM 168 O GLU A 72 -9.915 2.900 -2.599 1.00 0.00 O ATOM 169 CB GLU A 72 -8.638 3.681 -5.714 1.00 0.00 C ATOM 170 CG GLU A 72 -8.086 3.078 -7.020 1.00 0.00 C ATOM 171 CD GLU A 72 -7.492 4.112 -7.953 1.00 0.00 C ATOM 172 OE1 GLU A 72 -7.348 5.282 -7.550 1.00 0.00 O ATOM 173 OE2 GLU A 72 -7.335 3.809 -9.149 1.00 0.00 O ATOM 0 H GLU A 72 -10.702 2.981 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.186 1.847 -4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.101 4.642 -5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.806 3.878 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.324 2.338 -6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.888 2.551 -7.536 1.00 0.00 H new ATOM 180 N VAL A 73 -10.846 4.557 -3.773 1.00 0.00 N ATOM 181 CA VAL A 73 -11.370 5.315 -2.639 1.00 0.00 C ATOM 182 C VAL A 73 -12.285 4.456 -1.759 1.00 0.00 C ATOM 183 O VAL A 73 -12.199 4.497 -0.536 1.00 0.00 O ATOM 184 CB VAL A 73 -12.052 6.603 -3.146 1.00 0.00 C ATOM 185 CG1 VAL A 73 -13.525 6.473 -3.492 1.00 0.00 C ATOM 186 CG2 VAL A 73 -11.913 7.742 -2.131 1.00 0.00 C ATOM 0 H VAL A 73 -11.081 4.976 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.543 5.612 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.521 6.818 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.904 7.435 -3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.649 5.730 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.080 6.160 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.404 8.635 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.379 7.450 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.857 7.952 -1.962 1.00 0.00 H new ATOM 196 N ALA A 74 -13.132 3.640 -2.388 1.00 0.00 N ATOM 197 CA ALA A 74 -14.034 2.751 -1.659 1.00 0.00 C ATOM 198 C ALA A 74 -13.259 1.708 -0.840 1.00 0.00 C ATOM 199 O ALA A 74 -13.516 1.483 0.341 1.00 0.00 O ATOM 200 CB ALA A 74 -14.998 2.079 -2.643 1.00 0.00 C ATOM 0 H ALA A 74 -13.211 3.577 -3.403 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.610 3.345 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.670 1.416 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.580 2.842 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.430 1.501 -3.371 1.00 0.00 H new ATOM 206 N VAL A 75 -12.292 1.038 -1.464 1.00 0.00 N ATOM 207 CA VAL A 75 -11.574 -0.020 -0.759 1.00 0.00 C ATOM 208 C VAL A 75 -10.581 0.560 0.281 1.00 0.00 C ATOM 209 O VAL A 75 -10.473 0.041 1.392 1.00 0.00 O ATOM 210 CB VAL A 75 -10.980 -1.036 -1.746 1.00 0.00 C ATOM 211 CG1 VAL A 75 -10.427 -2.254 -0.996 1.00 0.00 C ATOM 212 CG2 VAL A 75 -12.084 -1.574 -2.670 1.00 0.00 C ATOM 0 H VAL A 75 -11.995 1.201 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 75 -12.279 -0.596 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.195 -0.527 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.010 -2.963 -1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.646 -1.933 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.231 -2.733 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.656 -2.294 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.854 -2.062 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.527 -0.748 -3.227 1.00 0.00 H new ATOM 222 N LEU A 76 -9.894 1.664 -0.038 1.00 0.00 N ATOM 223 CA LEU A 76 -9.150 2.521 0.911 1.00 0.00 C ATOM 224 C LEU A 76 -9.910 2.772 2.223 1.00 0.00 C ATOM 225 O LEU A 76 -9.338 2.716 3.312 1.00 0.00 O ATOM 226 CB LEU A 76 -8.797 3.844 0.225 1.00 0.00 C ATOM 227 CG LEU A 76 -7.470 3.826 -0.557 1.00 0.00 C ATOM 228 CD1 LEU A 76 -6.332 4.316 0.344 1.00 0.00 C ATOM 229 CD2 LEU A 76 -7.038 2.480 -1.167 1.00 0.00 C ATOM 0 H LEU A 76 -9.835 2.003 -0.998 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.240 1.990 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.603 4.110 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.748 4.628 0.980 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.666 4.483 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.395 4.302 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.542 5.333 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.248 3.662 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.090 2.605 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.921 1.742 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.797 2.139 -1.871 1.00 0.00 H new ATOM 241 N ASP A 77 -11.211 3.004 2.112 1.00 0.00 N ATOM 242 CA ASP A 77 -12.071 3.199 3.276 1.00 0.00 C ATOM 243 C ASP A 77 -12.164 1.890 4.070 1.00 0.00 C ATOM 244 O ASP A 77 -11.792 1.831 5.243 1.00 0.00 O ATOM 245 CB ASP A 77 -13.439 3.746 2.858 1.00 0.00 C ATOM 246 CG ASP A 77 -14.372 3.772 4.051 1.00 0.00 C ATOM 247 OD1 ASP A 77 -14.981 2.714 4.316 1.00 0.00 O ATOM 248 OD2 ASP A 77 -14.420 4.813 4.733 1.00 0.00 O ATOM 0 H ASP A 77 -11.700 3.063 1.219 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.636 3.950 3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.329 4.751 2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.862 3.126 2.068 1.00 0.00 H new ATOM 253 N LEU A 78 -12.547 0.800 3.399 1.00 0.00 N ATOM 254 CA LEU A 78 -12.563 -0.518 4.014 1.00 0.00 C ATOM 255 C LEU A 78 -11.248 -0.843 4.746 1.00 0.00 C ATOM 256 O LEU A 78 -11.293 -1.388 5.851 1.00 0.00 O ATOM 257 CB LEU A 78 -12.930 -1.587 2.976 1.00 0.00 C ATOM 258 CG LEU A 78 -14.292 -1.389 2.288 1.00 0.00 C ATOM 259 CD1 LEU A 78 -14.515 -2.529 1.289 1.00 0.00 C ATOM 260 CD2 LEU A 78 -15.450 -1.364 3.292 1.00 0.00 C ATOM 0 H LEU A 78 -12.850 0.811 2.425 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.335 -0.516 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.154 -1.610 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.925 -2.562 3.464 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.274 -0.424 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.478 -2.398 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.721 -2.519 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.505 -3.483 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.390 -1.222 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.480 -2.308 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.304 -0.544 3.995 1.00 0.00 H new ATOM 272 N TYR A 79 -10.076 -0.513 4.191 1.00 0.00 N ATOM 273 CA TYR A 79 -8.806 -0.631 4.909 1.00 0.00 C ATOM 274 C TYR A 79 -8.782 0.172 6.219 1.00 0.00 C ATOM 275 O TYR A 79 -8.672 -0.425 7.295 1.00 0.00 O ATOM 276 CB TYR A 79 -7.637 -0.174 4.028 1.00 0.00 C ATOM 277 CG TYR A 79 -7.253 -1.137 2.938 1.00 0.00 C ATOM 278 CD1 TYR A 79 -6.641 -2.357 3.259 1.00 0.00 C ATOM 279 CD2 TYR A 79 -7.581 -0.853 1.608 1.00 0.00 C ATOM 280 CE1 TYR A 79 -6.425 -3.310 2.254 1.00 0.00 C ATOM 281 CE2 TYR A 79 -7.479 -1.845 0.633 1.00 0.00 C ATOM 282 CZ TYR A 79 -6.953 -3.086 0.973 1.00 0.00 C ATOM 283 OH TYR A 79 -6.993 -4.112 0.089 1.00 0.00 O ATOM 0 H TYR A 79 -9.983 -0.159 3.239 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.701 -1.687 5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.895 0.783 3.574 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -6.768 -0.001 4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.338 -2.561 4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.914 0.137 1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.859 -4.206 2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.806 -1.651 -0.378 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.662 -4.928 0.519 1.00 0.00 H new ATOM 293 N GLU A 80 -8.857 1.501 6.150 1.00 0.00 N ATOM 294 CA GLU A 80 -8.658 2.363 7.312 1.00 0.00 C ATOM 295 C GLU A 80 -9.752 2.092 8.365 1.00 0.00 C ATOM 296 O GLU A 80 -9.466 1.901 9.547 1.00 0.00 O ATOM 297 CB GLU A 80 -8.572 3.829 6.849 1.00 0.00 C ATOM 298 CG GLU A 80 -7.343 4.125 5.947 1.00 0.00 C ATOM 299 CD GLU A 80 -5.984 4.217 6.642 1.00 0.00 C ATOM 300 OE1 GLU A 80 -5.965 4.337 7.887 1.00 0.00 O ATOM 301 OE2 GLU A 80 -4.960 4.191 5.919 1.00 0.00 O ATOM 0 H GLU A 80 -9.057 2.008 5.288 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.713 2.140 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.481 4.083 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.533 4.476 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.284 3.346 5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.523 5.065 5.426 1.00 0.00 H new ATOM 308 N GLN A 81 -11.004 1.911 7.934 1.00 0.00 N ATOM 309 CA GLN A 81 -12.091 1.418 8.792 1.00 0.00 C ATOM 310 C GLN A 81 -11.828 0.007 9.359 1.00 0.00 C ATOM 311 O GLN A 81 -12.124 -0.283 10.519 1.00 0.00 O ATOM 312 CB GLN A 81 -13.441 1.471 8.063 1.00 0.00 C ATOM 313 CG GLN A 81 -13.898 2.910 7.769 1.00 0.00 C ATOM 314 CD GLN A 81 -15.413 3.051 7.882 1.00 0.00 C ATOM 315 OE1 GLN A 81 -15.947 3.201 8.975 1.00 0.00 O ATOM 316 NE2 GLN A 81 -16.144 2.966 6.790 1.00 0.00 N ATOM 0 H GLN A 81 -11.296 2.103 6.976 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.129 2.092 9.648 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.366 0.919 7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.197 0.970 8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.415 3.595 8.465 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.579 3.196 6.767 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.694 2.841 5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.160 3.025 6.851 1.00 0.00 H new ATOM 325 N SER A 82 -11.215 -0.898 8.588 1.00 0.00 N ATOM 326 CA SER A 82 -10.706 -2.166 9.125 1.00 0.00 C ATOM 327 C SER A 82 -9.552 -1.987 10.135 1.00 0.00 C ATOM 328 O SER A 82 -9.141 -2.977 10.753 1.00 0.00 O ATOM 329 CB SER A 82 -10.324 -3.140 8.006 1.00 0.00 C ATOM 330 OG SER A 82 -11.496 -3.638 7.401 1.00 0.00 O ATOM 0 H SER A 82 -11.059 -0.776 7.587 1.00 0.00 H new ATOM 0 HA SER A 82 -11.532 -2.603 9.687 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.705 -2.635 7.265 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.732 -3.962 8.410 1.00 0.00 H new ATOM 0 HG SER A 82 -11.957 -4.237 8.025 1.00 0.00 H new ATOM 336 N ASN A 83 -9.027 -0.767 10.285 1.00 0.00 N ATOM 337 CA ASN A 83 -7.846 -0.356 11.046 1.00 0.00 C ATOM 338 C ASN A 83 -6.531 -0.765 10.371 1.00 0.00 C ATOM 339 O ASN A 83 -5.513 -0.917 11.043 1.00 0.00 O ATOM 340 CB ASN A 83 -7.927 -0.790 12.520 1.00 0.00 C ATOM 341 CG ASN A 83 -6.927 -0.023 13.382 1.00 0.00 C ATOM 342 OD1 ASN A 83 -5.890 -0.540 13.797 1.00 0.00 O ATOM 343 ND2 ASN A 83 -7.203 1.237 13.659 1.00 0.00 N ATOM 0 H ASN A 83 -9.463 0.036 9.831 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.843 0.734 11.049 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.937 -0.623 12.895 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.731 -1.859 12.597 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.555 1.789 14.221 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.064 1.659 13.312 1.00 0.00 H new ATOM 350 N ILE A 84 -6.544 -0.964 9.056 1.00 0.00 N ATOM 351 CA ILE A 84 -5.349 -1.195 8.250 1.00 0.00 C ATOM 352 C ILE A 84 -4.906 0.157 7.713 1.00 0.00 C ATOM 353 O ILE A 84 -5.465 0.613 6.720 1.00 0.00 O ATOM 354 CB ILE A 84 -5.635 -2.162 7.083 1.00 0.00 C ATOM 355 CG1 ILE A 84 -5.781 -3.618 7.538 1.00 0.00 C ATOM 356 CG2 ILE A 84 -4.476 -2.140 6.069 1.00 0.00 C ATOM 357 CD1 ILE A 84 -6.752 -3.807 8.689 1.00 0.00 C ATOM 0 H ILE A 84 -7.405 -0.969 8.509 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.570 -1.654 8.859 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.572 -1.819 6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.113 -4.221 6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.803 -3.996 7.835 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.694 -2.828 5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.359 -1.131 5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.554 -2.445 6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.801 -4.863 8.954 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.412 -3.232 9.550 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.742 -3.461 8.391 1.00 0.00 H new ATOM 369 N ARG A 85 -3.898 0.768 8.324 1.00 0.00 N ATOM 370 CA ARG A 85 -3.340 1.959 7.710 1.00 0.00 C ATOM 371 C ARG A 85 -2.612 1.594 6.409 1.00 0.00 C ATOM 372 O ARG A 85 -1.812 0.653 6.390 1.00 0.00 O ATOM 373 CB ARG A 85 -2.458 2.752 8.676 1.00 0.00 C ATOM 374 CG ARG A 85 -2.295 4.164 8.098 1.00 0.00 C ATOM 375 CD ARG A 85 -1.375 5.067 8.931 1.00 0.00 C ATOM 376 NE ARG A 85 -0.219 5.533 8.136 1.00 0.00 N ATOM 377 CZ ARG A 85 -0.302 6.295 7.040 1.00 0.00 C ATOM 378 NH1 ARG A 85 -1.466 6.695 6.569 1.00 0.00 N ATOM 379 NH2 ARG A 85 0.761 6.683 6.365 1.00 0.00 N ATOM 0 H ARG A 85 -3.469 0.475 9.202 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.163 2.626 7.454 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.913 2.793 9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.487 2.271 8.792 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.897 4.089 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -3.277 4.632 8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.938 5.926 9.296 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.022 4.522 9.806 1.00 0.00 H new ATOM 0 HE ARG A 85 0.711 5.252 8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.328 6.424 7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.505 7.276 5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.692 6.402 6.674 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.653 7.264 5.534 1.00 0.00 H new ATOM 393 N ILE A 86 -2.871 2.316 5.323 1.00 0.00 N ATOM 394 CA ILE A 86 -2.135 2.150 4.069 1.00 0.00 C ATOM 395 C ILE A 86 -0.927 3.115 3.995 1.00 0.00 C ATOM 396 O ILE A 86 -1.074 4.309 4.259 1.00 0.00 O ATOM 397 CB ILE A 86 -3.112 2.252 2.883 1.00 0.00 C ATOM 398 CG1 ILE A 86 -4.055 1.031 2.806 1.00 0.00 C ATOM 399 CG2 ILE A 86 -2.361 2.396 1.561 1.00 0.00 C ATOM 400 CD1 ILE A 86 -3.404 -0.276 2.313 1.00 0.00 C ATOM 0 H ILE A 86 -3.596 3.033 5.285 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.693 1.155 4.021 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.715 3.144 3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.477 0.856 3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.886 1.276 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.077 2.466 0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.749 3.298 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.720 1.527 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.150 -1.070 2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.008 -0.129 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.593 -0.555 2.986 1.00 0.00 H new ATOM 412 N PRO A 87 0.292 2.629 3.677 1.00 0.00 N ATOM 413 CA PRO A 87 1.400 3.495 3.287 1.00 0.00 C ATOM 414 C PRO A 87 1.025 4.319 2.055 1.00 0.00 C ATOM 415 O PRO A 87 0.667 3.745 1.025 1.00 0.00 O ATOM 416 CB PRO A 87 2.591 2.575 2.981 1.00 0.00 C ATOM 417 CG PRO A 87 2.230 1.254 3.656 1.00 0.00 C ATOM 418 CD PRO A 87 0.702 1.235 3.647 1.00 0.00 C ATOM 0 HA PRO A 87 1.647 4.199 4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 87 2.730 2.448 1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.521 2.983 3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.642 0.403 3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.623 1.205 4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.322 0.734 2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.312 0.693 4.509 1.00 0.00 H new ATOM 426 N SER A 88 1.123 5.644 2.142 1.00 0.00 N ATOM 427 CA SER A 88 0.865 6.524 1.008 1.00 0.00 C ATOM 428 C SER A 88 1.621 6.091 -0.249 1.00 0.00 C ATOM 429 O SER A 88 1.065 6.131 -1.341 1.00 0.00 O ATOM 430 CB SER A 88 1.185 7.970 1.374 1.00 0.00 C ATOM 431 OG SER A 88 2.586 8.187 1.408 1.00 0.00 O ATOM 0 H SER A 88 1.383 6.135 2.998 1.00 0.00 H new ATOM 0 HA SER A 88 -0.197 6.450 0.772 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.727 8.642 0.649 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.753 8.207 2.346 1.00 0.00 H new ATOM 0 HG SER A 88 3.037 7.369 1.705 1.00 0.00 H new ATOM 437 N ASP A 89 2.856 5.613 -0.090 1.00 0.00 N ATOM 438 CA ASP A 89 3.662 5.038 -1.158 1.00 0.00 C ATOM 439 C ASP A 89 2.867 4.106 -2.103 1.00 0.00 C ATOM 440 O ASP A 89 2.795 4.315 -3.314 1.00 0.00 O ATOM 441 CB ASP A 89 4.814 4.307 -0.453 1.00 0.00 C ATOM 442 CG ASP A 89 5.935 4.018 -1.411 1.00 0.00 C ATOM 443 OD1 ASP A 89 5.762 3.122 -2.253 1.00 0.00 O ATOM 444 OD2 ASP A 89 7.017 4.615 -1.240 1.00 0.00 O ATOM 0 H ASP A 89 3.333 5.617 0.812 1.00 0.00 H new ATOM 0 HA ASP A 89 4.025 5.821 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.184 4.915 0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.449 3.374 -0.023 1.00 0.00 H new ATOM 449 N ILE A 90 2.185 3.099 -1.548 1.00 0.00 N ATOM 450 CA ILE A 90 1.390 2.207 -2.395 1.00 0.00 C ATOM 451 C ILE A 90 0.097 2.841 -2.911 1.00 0.00 C ATOM 452 O ILE A 90 -0.420 2.391 -3.925 1.00 0.00 O ATOM 453 CB ILE A 90 1.183 0.810 -1.792 1.00 0.00 C ATOM 454 CG1 ILE A 90 0.647 0.820 -0.357 1.00 0.00 C ATOM 455 CG2 ILE A 90 2.517 0.070 -1.939 1.00 0.00 C ATOM 456 CD1 ILE A 90 -0.012 -0.528 -0.024 1.00 0.00 C ATOM 0 H ILE A 90 2.166 2.886 -0.551 1.00 0.00 H new ATOM 0 HA ILE A 90 2.002 2.048 -3.283 1.00 0.00 H new ATOM 0 HB ILE A 90 0.393 0.288 -2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.461 1.017 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.077 1.626 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.424 -0.934 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.782 0.003 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.295 0.613 -1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.388 -0.506 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.839 -0.708 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.723 -1.327 -0.123 1.00 0.00 H new ATOM 468 N ILE A 91 -0.424 3.896 -2.281 1.00 0.00 N ATOM 469 CA ILE A 91 -1.484 4.696 -2.903 1.00 0.00 C ATOM 470 C ILE A 91 -0.935 5.379 -4.167 1.00 0.00 C ATOM 471 O ILE A 91 -1.555 5.326 -5.228 1.00 0.00 O ATOM 472 CB ILE A 91 -2.066 5.719 -1.902 1.00 0.00 C ATOM 473 CG1 ILE A 91 -2.430 5.020 -0.581 1.00 0.00 C ATOM 474 CG2 ILE A 91 -3.291 6.408 -2.511 1.00 0.00 C ATOM 475 CD1 ILE A 91 -3.072 5.924 0.475 1.00 0.00 C ATOM 0 H ILE A 91 -0.136 4.214 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.305 4.041 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.314 6.479 -1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.113 4.199 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.526 4.580 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.695 7.128 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.000 6.926 -3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.050 5.661 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.292 5.340 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.385 6.732 0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.997 6.345 0.080 1.00 0.00 H new ATOM 487 N GLU A 92 0.256 5.971 -4.051 1.00 0.00 N ATOM 488 CA GLU A 92 1.013 6.596 -5.133 1.00 0.00 C ATOM 489 C GLU A 92 1.152 5.651 -6.349 1.00 0.00 C ATOM 490 O GLU A 92 0.814 6.014 -7.478 1.00 0.00 O ATOM 491 CB GLU A 92 2.366 7.052 -4.538 1.00 0.00 C ATOM 492 CG GLU A 92 2.824 8.449 -4.991 1.00 0.00 C ATOM 493 CD GLU A 92 3.909 9.054 -4.106 1.00 0.00 C ATOM 494 OE1 GLU A 92 4.364 8.377 -3.155 1.00 0.00 O ATOM 495 OE2 GLU A 92 4.199 10.248 -4.320 1.00 0.00 O ATOM 0 H GLU A 92 0.740 6.029 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 92 0.491 7.467 -5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.292 7.043 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.132 6.326 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.195 8.386 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.963 9.118 -5.004 1.00 0.00 H new ATOM 502 N ASP A 93 1.562 4.402 -6.101 1.00 0.00 N ATOM 503 CA ASP A 93 1.584 3.332 -7.092 1.00 0.00 C ATOM 504 C ASP A 93 0.168 3.060 -7.632 1.00 0.00 C ATOM 505 O ASP A 93 -0.108 3.229 -8.820 1.00 0.00 O ATOM 506 CB ASP A 93 2.204 2.099 -6.416 1.00 0.00 C ATOM 507 CG ASP A 93 2.063 0.832 -7.230 1.00 0.00 C ATOM 508 OD1 ASP A 93 2.138 0.918 -8.471 1.00 0.00 O ATOM 509 OD2 ASP A 93 1.853 -0.229 -6.606 1.00 0.00 O ATOM 0 H ASP A 93 1.894 4.105 -5.183 1.00 0.00 H new ATOM 0 HA ASP A 93 2.183 3.609 -7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.262 2.288 -6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.733 1.952 -5.444 1.00 0.00 H new ATOM 514 N LEU A 94 -0.745 2.653 -6.751 1.00 0.00 N ATOM 515 CA LEU A 94 -2.085 2.180 -7.129 1.00 0.00 C ATOM 516 C LEU A 94 -2.810 3.168 -8.064 1.00 0.00 C ATOM 517 O LEU A 94 -3.285 2.807 -9.140 1.00 0.00 O ATOM 518 CB LEU A 94 -2.923 1.912 -5.868 1.00 0.00 C ATOM 519 CG LEU A 94 -3.910 0.748 -5.989 1.00 0.00 C ATOM 520 CD1 LEU A 94 -4.944 0.888 -4.883 1.00 0.00 C ATOM 521 CD2 LEU A 94 -4.669 0.655 -7.311 1.00 0.00 C ATOM 0 H LEU A 94 -0.578 2.640 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.962 1.250 -7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.248 1.713 -5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.478 2.816 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.303 -0.155 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.660 0.069 -4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.446 0.859 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.468 1.837 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.339 -0.205 -7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.251 1.564 -7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.960 0.539 -8.130 1.00 0.00 H new ATOM 533 N VAL A 95 -2.844 4.442 -7.669 1.00 0.00 N ATOM 534 CA VAL A 95 -3.384 5.550 -8.455 1.00 0.00 C ATOM 535 C VAL A 95 -2.775 5.629 -9.866 1.00 0.00 C ATOM 536 O VAL A 95 -3.485 5.934 -10.828 1.00 0.00 O ATOM 537 CB VAL A 95 -3.172 6.856 -7.667 1.00 0.00 C ATOM 538 CG1 VAL A 95 -3.457 8.114 -8.494 1.00 0.00 C ATOM 539 CG2 VAL A 95 -4.086 6.875 -6.435 1.00 0.00 C ATOM 0 H VAL A 95 -2.484 4.740 -6.762 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.450 5.383 -8.611 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.120 6.873 -7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.289 8.999 -7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.793 8.140 -9.358 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.493 8.099 -8.833 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.931 7.801 -5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.127 6.812 -6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.850 6.026 -5.794 1.00 0.00 H new ATOM 549 N ASN A 96 -1.474 5.358 -9.997 1.00 0.00 N ATOM 550 CA ASN A 96 -0.771 5.257 -11.278 1.00 0.00 C ATOM 551 C ASN A 96 -1.199 4.014 -12.085 1.00 0.00 C ATOM 552 O ASN A 96 -1.488 4.127 -13.274 1.00 0.00 O ATOM 553 CB ASN A 96 0.751 5.386 -11.048 1.00 0.00 C ATOM 554 CG ASN A 96 1.594 4.262 -11.640 1.00 0.00 C ATOM 555 OD1 ASN A 96 2.119 4.375 -12.739 1.00 0.00 O ATOM 556 ND2 ASN A 96 1.762 3.172 -10.914 1.00 0.00 N ATOM 0 H ASN A 96 -0.865 5.199 -9.194 1.00 0.00 H new ATOM 0 HA ASN A 96 -1.062 6.091 -11.917 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.087 6.333 -11.471 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.938 5.432 -9.975 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.337 2.407 -11.268 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.317 3.095 -10.000 1.00 0.00 H new ATOM 563 N GLN A 97 -1.279 2.841 -11.447 1.00 0.00 N ATOM 564 CA GLN A 97 -1.746 1.607 -12.094 1.00 0.00 C ATOM 565 C GLN A 97 -3.175 1.752 -12.652 1.00 0.00 C ATOM 566 O GLN A 97 -3.480 1.294 -13.749 1.00 0.00 O ATOM 567 CB GLN A 97 -1.689 0.425 -11.114 1.00 0.00 C ATOM 568 CG GLN A 97 -0.310 0.187 -10.480 1.00 0.00 C ATOM 569 CD GLN A 97 0.801 -0.168 -11.459 1.00 0.00 C ATOM 570 OE1 GLN A 97 0.571 -0.636 -12.567 1.00 0.00 O ATOM 571 NE2 GLN A 97 2.042 0.028 -11.058 1.00 0.00 N ATOM 0 H GLN A 97 -1.022 2.719 -10.467 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.076 1.414 -12.932 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.416 0.593 -10.319 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.994 -0.480 -11.639 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.019 1.085 -9.935 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.398 -0.616 -9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.224 0.418 -10.133 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.820 -0.211 -11.673 1.00 0.00 H new ATOM 580 N ARG A 98 -4.049 2.397 -11.876 1.00 0.00 N ATOM 581 CA ARG A 98 -5.386 2.819 -12.277 1.00 0.00 C ATOM 582 C ARG A 98 -6.296 1.673 -12.753 1.00 0.00 C ATOM 583 O ARG A 98 -6.675 1.580 -13.920 1.00 0.00 O ATOM 584 CB ARG A 98 -5.245 3.996 -13.259 1.00 0.00 C ATOM 585 CG ARG A 98 -6.547 4.628 -13.773 1.00 0.00 C ATOM 586 CD ARG A 98 -7.669 4.776 -12.738 1.00 0.00 C ATOM 587 NE ARG A 98 -7.194 5.221 -11.413 1.00 0.00 N ATOM 588 CZ ARG A 98 -6.829 6.430 -11.002 1.00 0.00 C ATOM 589 NH1 ARG A 98 -6.687 7.421 -11.859 1.00 0.00 N ATOM 590 NH2 ARG A 98 -6.658 6.668 -9.721 1.00 0.00 N ATOM 0 H ARG A 98 -3.832 2.648 -10.912 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.930 3.170 -11.400 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.658 4.775 -12.773 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.671 3.654 -14.120 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.316 5.615 -14.175 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.919 4.025 -14.601 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.404 5.490 -13.110 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.180 3.820 -12.629 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.138 4.488 -10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.858 7.265 -12.852 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.406 8.344 -11.529 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.806 5.923 -9.040 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.378 7.597 -9.408 1.00 0.00 H new ATOM 604 N LEU A 99 -6.685 0.820 -11.804 1.00 0.00 N ATOM 605 CA LEU A 99 -7.549 -0.336 -12.036 1.00 0.00 C ATOM 606 C LEU A 99 -9.037 0.055 -12.155 1.00 0.00 C ATOM 607 O LEU A 99 -9.409 1.219 -11.996 1.00 0.00 O ATOM 608 CB LEU A 99 -7.294 -1.378 -10.936 1.00 0.00 C ATOM 609 CG LEU A 99 -5.799 -1.649 -10.675 1.00 0.00 C ATOM 610 CD1 LEU A 99 -5.645 -2.751 -9.627 1.00 0.00 C ATOM 611 CD2 LEU A 99 -5.050 -2.071 -11.945 1.00 0.00 C ATOM 0 H LEU A 99 -6.400 0.917 -10.829 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.298 -0.779 -13.000 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.760 -1.038 -10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.781 -2.313 -11.213 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.365 -0.714 -10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.586 -2.937 -9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.121 -2.438 -8.698 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.118 -3.665 -9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.002 -2.250 -11.707 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.493 -2.985 -12.342 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.123 -1.279 -12.690 1.00 0.00 H new ATOM 623 N GLN A 100 -9.901 -0.917 -12.458 1.00 0.00 N ATOM 624 CA GLN A 100 -11.318 -0.712 -12.749 1.00 0.00 C ATOM 625 C GLN A 100 -12.195 -0.889 -11.500 1.00 0.00 C ATOM 626 O GLN A 100 -13.090 -0.080 -11.245 1.00 0.00 O ATOM 627 CB GLN A 100 -11.791 -1.706 -13.828 1.00 0.00 C ATOM 628 CG GLN A 100 -10.764 -2.021 -14.926 1.00 0.00 C ATOM 629 CD GLN A 100 -11.289 -3.069 -15.897 1.00 0.00 C ATOM 630 OE1 GLN A 100 -11.493 -2.801 -17.073 1.00 0.00 O ATOM 631 NE2 GLN A 100 -11.529 -4.284 -15.435 1.00 0.00 N ATOM 0 H GLN A 100 -9.623 -1.897 -12.509 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.423 0.313 -13.104 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.074 -2.639 -13.340 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.690 -1.306 -14.298 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.521 -1.109 -15.470 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.840 -2.376 -14.470 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.356 -4.500 -14.453 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.887 -5.006 -16.060 1.00 0.00 H new ATOM 640 N SER A 101 -12.002 -1.999 -10.779 1.00 0.00 N ATOM 641 CA SER A 101 -12.950 -2.492 -9.778 1.00 0.00 C ATOM 642 C SER A 101 -12.374 -2.698 -8.370 1.00 0.00 C ATOM 643 O SER A 101 -11.208 -3.015 -8.154 1.00 0.00 O ATOM 644 CB SER A 101 -13.603 -3.786 -10.282 1.00 0.00 C ATOM 645 OG SER A 101 -14.583 -4.247 -9.354 1.00 0.00 O ATOM 0 H SER A 101 -11.173 -2.586 -10.876 1.00 0.00 H new ATOM 0 HA SER A 101 -13.689 -1.699 -9.661 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.067 -3.612 -11.253 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.841 -4.552 -10.426 1.00 0.00 H new ATOM 0 HG SER A 101 -15.038 -3.479 -8.950 1.00 0.00 H new ATOM 651 N GLU A 102 -13.267 -2.574 -7.392 1.00 0.00 N ATOM 652 CA GLU A 102 -13.133 -2.885 -5.980 1.00 0.00 C ATOM 653 C GLU A 102 -12.360 -4.192 -5.749 1.00 0.00 C ATOM 654 O GLU A 102 -11.409 -4.254 -4.972 1.00 0.00 O ATOM 655 CB GLU A 102 -14.550 -2.922 -5.373 1.00 0.00 C ATOM 656 CG GLU A 102 -15.371 -1.652 -5.707 1.00 0.00 C ATOM 657 CD GLU A 102 -16.294 -1.770 -6.917 1.00 0.00 C ATOM 658 OE1 GLU A 102 -15.850 -2.237 -7.994 1.00 0.00 O ATOM 659 OE2 GLU A 102 -17.494 -1.446 -6.813 1.00 0.00 O ATOM 0 H GLU A 102 -14.200 -2.215 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.542 -2.116 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.078 -3.800 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.476 -3.029 -4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.972 -1.389 -4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.679 -0.827 -5.878 1.00 0.00 H new ATOM 666 N GLN A 103 -12.741 -5.247 -6.470 1.00 0.00 N ATOM 667 CA GLN A 103 -12.034 -6.521 -6.399 1.00 0.00 C ATOM 668 C GLN A 103 -10.582 -6.423 -6.891 1.00 0.00 C ATOM 669 O GLN A 103 -9.668 -6.961 -6.273 1.00 0.00 O ATOM 670 CB GLN A 103 -12.824 -7.622 -7.114 1.00 0.00 C ATOM 671 CG GLN A 103 -14.075 -7.966 -6.293 1.00 0.00 C ATOM 672 CD GLN A 103 -14.729 -9.268 -6.727 1.00 0.00 C ATOM 673 OE1 GLN A 103 -15.868 -9.302 -7.170 1.00 0.00 O ATOM 674 NE2 GLN A 103 -14.028 -10.378 -6.575 1.00 0.00 N ATOM 0 H GLN A 103 -13.536 -5.242 -7.109 1.00 0.00 H new ATOM 0 HA GLN A 103 -11.965 -6.796 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.110 -7.290 -8.112 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.202 -8.509 -7.239 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.804 -8.035 -5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.797 -7.155 -6.384 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.079 -10.335 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -14.436 -11.278 -6.828 1.00 0.00 H new ATOM 683 N GLU A 104 -10.350 -5.720 -7.990 1.00 0.00 N ATOM 684 CA GLU A 104 -9.016 -5.560 -8.550 1.00 0.00 C ATOM 685 C GLU A 104 -8.111 -4.780 -7.596 1.00 0.00 C ATOM 686 O GLU A 104 -6.991 -5.203 -7.315 1.00 0.00 O ATOM 687 CB GLU A 104 -9.128 -4.848 -9.892 1.00 0.00 C ATOM 688 CG GLU A 104 -10.032 -5.612 -10.871 1.00 0.00 C ATOM 689 CD GLU A 104 -10.473 -4.731 -12.030 1.00 0.00 C ATOM 690 OE1 GLU A 104 -10.025 -3.566 -12.067 1.00 0.00 O ATOM 691 OE2 GLU A 104 -11.325 -5.186 -12.816 1.00 0.00 O ATOM 0 H GLU A 104 -11.081 -5.244 -8.519 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.565 -6.542 -8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.525 -3.844 -9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.135 -4.735 -10.327 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.499 -6.481 -11.256 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.909 -5.984 -10.342 1.00 0.00 H new ATOM 698 N VAL A 105 -8.603 -3.664 -7.048 1.00 0.00 N ATOM 699 CA VAL A 105 -7.811 -2.891 -6.100 1.00 0.00 C ATOM 700 C VAL A 105 -7.575 -3.699 -4.824 1.00 0.00 C ATOM 701 O VAL A 105 -6.442 -3.789 -4.372 1.00 0.00 O ATOM 702 CB VAL A 105 -8.377 -1.487 -5.845 1.00 0.00 C ATOM 703 CG1 VAL A 105 -8.490 -0.694 -7.149 1.00 0.00 C ATOM 704 CG2 VAL A 105 -9.741 -1.495 -5.162 1.00 0.00 C ATOM 0 H VAL A 105 -9.530 -3.285 -7.243 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.836 -2.705 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.667 -1.011 -5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.894 0.296 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.503 -0.595 -7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.154 -1.218 -7.837 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.079 -0.470 -5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.458 -2.027 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.662 -1.994 -4.196 1.00 0.00 H new ATOM 714 N LEU A 106 -8.589 -4.367 -4.266 1.00 0.00 N ATOM 715 CA LEU A 106 -8.331 -5.180 -3.075 1.00 0.00 C ATOM 716 C LEU A 106 -7.387 -6.356 -3.361 1.00 0.00 C ATOM 717 O LEU A 106 -6.621 -6.740 -2.478 1.00 0.00 O ATOM 718 CB LEU A 106 -9.621 -5.568 -2.336 1.00 0.00 C ATOM 719 CG LEU A 106 -10.462 -6.675 -2.978 1.00 0.00 C ATOM 720 CD1 LEU A 106 -9.988 -8.090 -2.641 1.00 0.00 C ATOM 721 CD2 LEU A 106 -11.915 -6.529 -2.514 1.00 0.00 C ATOM 0 H LEU A 106 -9.553 -4.364 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.787 -4.550 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.356 -5.881 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.242 -4.677 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.360 -6.553 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.634 -8.817 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.963 -8.223 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.028 -8.240 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.522 -7.313 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.961 -6.615 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.297 -5.554 -2.817 1.00 0.00 H new ATOM 733 N ASN A 107 -7.395 -6.935 -4.570 1.00 0.00 N ATOM 734 CA ASN A 107 -6.400 -7.950 -4.936 1.00 0.00 C ATOM 735 C ASN A 107 -4.994 -7.332 -4.983 1.00 0.00 C ATOM 736 O ASN A 107 -4.096 -7.723 -4.232 1.00 0.00 O ATOM 737 CB ASN A 107 -6.739 -8.575 -6.300 1.00 0.00 C ATOM 738 CG ASN A 107 -8.047 -9.356 -6.341 1.00 0.00 C ATOM 739 OD1 ASN A 107 -8.506 -9.906 -5.346 1.00 0.00 O ATOM 740 ND2 ASN A 107 -8.654 -9.444 -7.514 1.00 0.00 N ATOM 0 H ASN A 107 -8.071 -6.721 -5.303 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.419 -8.732 -4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.783 -7.781 -7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.926 -9.241 -6.590 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.519 -9.977 -7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.256 -8.979 -8.330 1.00 0.00 H new ATOM 747 N TYR A 108 -4.819 -6.352 -5.871 1.00 0.00 N ATOM 748 CA TYR A 108 -3.571 -5.632 -6.080 1.00 0.00 C ATOM 749 C TYR A 108 -2.996 -5.121 -4.756 1.00 0.00 C ATOM 750 O TYR A 108 -1.907 -5.517 -4.347 1.00 0.00 O ATOM 751 CB TYR A 108 -3.821 -4.487 -7.066 1.00 0.00 C ATOM 752 CG TYR A 108 -2.550 -3.766 -7.464 1.00 0.00 C ATOM 753 CD1 TYR A 108 -1.793 -4.248 -8.546 1.00 0.00 C ATOM 754 CD2 TYR A 108 -2.062 -2.698 -6.687 1.00 0.00 C ATOM 755 CE1 TYR A 108 -0.541 -3.685 -8.828 1.00 0.00 C ATOM 756 CE2 TYR A 108 -0.812 -2.127 -6.983 1.00 0.00 C ATOM 757 CZ TYR A 108 -0.051 -2.630 -8.047 1.00 0.00 C ATOM 758 OH TYR A 108 1.192 -2.162 -8.317 1.00 0.00 O ATOM 0 H TYR A 108 -5.569 -6.030 -6.482 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.827 -6.309 -6.500 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.304 -4.882 -7.960 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.513 -3.773 -6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.176 -5.051 -9.159 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.648 -2.317 -5.864 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.048 -4.065 -9.650 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.439 -1.303 -6.392 1.00 0.00 H new ATOM 0 HH TYR A 108 1.452 -1.510 -7.633 1.00 0.00 H new ATOM 768 N ILE A 109 -3.755 -4.300 -4.036 1.00 0.00 N ATOM 769 CA ILE A 109 -3.346 -3.773 -2.742 1.00 0.00 C ATOM 770 C ILE A 109 -2.892 -4.892 -1.800 1.00 0.00 C ATOM 771 O ILE A 109 -1.838 -4.768 -1.193 1.00 0.00 O ATOM 772 CB ILE A 109 -4.471 -2.973 -2.065 1.00 0.00 C ATOM 773 CG1 ILE A 109 -4.846 -1.713 -2.848 1.00 0.00 C ATOM 774 CG2 ILE A 109 -4.037 -2.547 -0.655 1.00 0.00 C ATOM 775 CD1 ILE A 109 -6.208 -1.200 -2.362 1.00 0.00 C ATOM 0 H ILE A 109 -4.676 -3.981 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.508 -3.104 -2.937 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.340 -3.629 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.085 -0.945 -2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -4.887 -1.933 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -4.840 -1.981 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.818 -3.433 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.145 -1.925 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.478 -0.302 -2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.965 -1.968 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.150 -0.965 -1.299 1.00 0.00 H new ATOM 787 N GLU A 110 -3.646 -5.986 -1.626 1.00 0.00 N ATOM 788 CA GLU A 110 -3.221 -7.029 -0.687 1.00 0.00 C ATOM 789 C GLU A 110 -1.881 -7.686 -1.081 1.00 0.00 C ATOM 790 O GLU A 110 -1.005 -7.903 -0.230 1.00 0.00 O ATOM 791 CB GLU A 110 -4.343 -8.053 -0.448 1.00 0.00 C ATOM 792 CG GLU A 110 -4.557 -8.283 1.063 1.00 0.00 C ATOM 793 CD GLU A 110 -5.077 -7.061 1.802 1.00 0.00 C ATOM 794 OE1 GLU A 110 -6.052 -6.452 1.307 1.00 0.00 O ATOM 795 OE2 GLU A 110 -4.578 -6.803 2.917 1.00 0.00 O ATOM 0 H GLU A 110 -4.527 -6.168 -2.107 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.026 -6.539 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.269 -7.699 -0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.091 -8.996 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.260 -9.105 1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.613 -8.593 1.511 1.00 0.00 H new ATOM 802 N THR A 111 -1.692 -7.989 -2.368 1.00 0.00 N ATOM 803 CA THR A 111 -0.402 -8.459 -2.869 1.00 0.00 C ATOM 804 C THR A 111 0.710 -7.428 -2.621 1.00 0.00 C ATOM 805 O THR A 111 1.700 -7.751 -1.966 1.00 0.00 O ATOM 806 CB THR A 111 -0.489 -8.889 -4.338 1.00 0.00 C ATOM 807 OG1 THR A 111 -0.833 -7.832 -5.197 1.00 0.00 O ATOM 808 CG2 THR A 111 -1.489 -10.027 -4.549 1.00 0.00 C ATOM 0 H THR A 111 -2.418 -7.916 -3.081 1.00 0.00 H new ATOM 0 HA THR A 111 -0.132 -9.350 -2.301 1.00 0.00 H new ATOM 0 HB THR A 111 0.515 -9.233 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.308 -7.140 -4.691 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.516 -10.297 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 111 -1.185 -10.893 -3.961 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.480 -9.704 -4.232 1.00 0.00 H new ATOM 816 N GLN A 112 0.522 -6.168 -3.018 1.00 0.00 N ATOM 817 CA GLN A 112 1.498 -5.098 -2.811 1.00 0.00 C ATOM 818 C GLN A 112 1.764 -4.825 -1.310 1.00 0.00 C ATOM 819 O GLN A 112 2.872 -4.548 -0.865 1.00 0.00 O ATOM 820 CB GLN A 112 1.012 -3.867 -3.596 1.00 0.00 C ATOM 821 CG GLN A 112 2.069 -2.767 -3.733 1.00 0.00 C ATOM 822 CD GLN A 112 3.173 -3.130 -4.714 1.00 0.00 C ATOM 823 OE1 GLN A 112 3.989 -4.003 -4.450 1.00 0.00 O ATOM 824 NE2 GLN A 112 3.217 -2.487 -5.857 1.00 0.00 N ATOM 0 H GLN A 112 -0.323 -5.859 -3.498 1.00 0.00 H new ATOM 0 HA GLN A 112 2.475 -5.393 -3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.698 -4.182 -4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.133 -3.455 -3.100 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.587 -1.845 -4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 112 2.509 -2.568 -2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.529 -1.762 -6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.939 -2.712 -6.541 1.00 0.00 H new ATOM 833 N ARG A 113 0.749 -4.998 -0.472 1.00 0.00 N ATOM 834 CA ARG A 113 0.815 -4.958 0.987 1.00 0.00 C ATOM 835 C ARG A 113 1.558 -6.177 1.575 1.00 0.00 C ATOM 836 O ARG A 113 1.987 -6.198 2.737 1.00 0.00 O ATOM 837 CB ARG A 113 -0.628 -4.850 1.489 1.00 0.00 C ATOM 838 CG ARG A 113 -0.726 -4.730 3.003 1.00 0.00 C ATOM 839 CD ARG A 113 -2.120 -4.233 3.387 1.00 0.00 C ATOM 840 NE ARG A 113 -2.228 -4.141 4.855 1.00 0.00 N ATOM 841 CZ ARG A 113 -2.851 -5.008 5.667 1.00 0.00 C ATOM 842 NH1 ARG A 113 -3.588 -6.012 5.237 1.00 0.00 N ATOM 843 NH2 ARG A 113 -2.759 -4.911 6.975 1.00 0.00 N ATOM 0 H ARG A 113 -0.196 -5.180 -0.810 1.00 0.00 H new ATOM 0 HA ARG A 113 1.397 -4.099 1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.102 -3.982 1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.186 -5.728 1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.532 -5.697 3.468 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.032 -4.040 3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.306 -3.258 2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.879 -4.913 2.999 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.784 -3.336 5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -3.710 -6.163 4.236 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.037 -6.638 5.906 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.204 -4.164 7.393 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.242 -5.583 7.571 1.00 0.00 H new ATOM 857 N THR A 114 1.680 -7.250 0.800 1.00 0.00 N ATOM 858 CA THR A 114 2.486 -8.430 1.123 1.00 0.00 C ATOM 859 C THR A 114 3.934 -8.328 0.616 1.00 0.00 C ATOM 860 O THR A 114 4.844 -8.640 1.386 1.00 0.00 O ATOM 861 CB THR A 114 1.705 -9.687 0.738 1.00 0.00 C ATOM 862 OG1 THR A 114 0.499 -9.622 1.492 1.00 0.00 O ATOM 863 CG2 THR A 114 2.441 -10.980 1.086 1.00 0.00 C ATOM 0 H THR A 114 1.207 -7.328 -0.100 1.00 0.00 H new ATOM 0 HA THR A 114 2.646 -8.497 2.199 1.00 0.00 H new ATOM 0 HB THR A 114 1.550 -9.710 -0.341 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.147 -9.050 1.027 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.835 -11.835 0.788 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.394 -11.009 0.558 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.620 -11.019 2.161 1.00 0.00 H new ATOM 871 N TYR A 115 4.171 -7.748 -0.565 1.00 0.00 N ATOM 872 CA TYR A 115 5.462 -7.112 -0.874 1.00 0.00 C ATOM 873 C TYR A 115 5.922 -6.248 0.308 1.00 0.00 C ATOM 874 O TYR A 115 6.988 -6.491 0.874 1.00 0.00 O ATOM 875 CB TYR A 115 5.372 -6.299 -2.178 1.00 0.00 C ATOM 876 CG TYR A 115 6.375 -5.158 -2.330 1.00 0.00 C ATOM 877 CD1 TYR A 115 7.648 -5.405 -2.877 1.00 0.00 C ATOM 878 CD2 TYR A 115 6.011 -3.834 -2.000 1.00 0.00 C ATOM 879 CE1 TYR A 115 8.525 -4.335 -3.135 1.00 0.00 C ATOM 880 CE2 TYR A 115 6.907 -2.774 -2.221 1.00 0.00 C ATOM 881 CZ TYR A 115 8.146 -3.020 -2.820 1.00 0.00 C ATOM 882 OH TYR A 115 8.977 -1.983 -3.120 1.00 0.00 O ATOM 0 H TYR A 115 3.490 -7.704 -1.323 1.00 0.00 H new ATOM 0 HA TYR A 115 6.211 -7.888 -1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.500 -6.982 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.367 -5.884 -2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.952 -6.417 -3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.038 -3.635 -1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.492 -4.526 -3.576 1.00 0.00 H new ATOM 0 HE2 TYR A 115 6.638 -1.770 -1.928 1.00 0.00 H new ATOM 0 HH TYR A 115 8.775 -1.652 -4.020 1.00 0.00 H new ATOM 892 N TRP A 116 5.080 -5.313 0.764 1.00 0.00 N ATOM 893 CA TRP A 116 5.441 -4.485 1.905 1.00 0.00 C ATOM 894 C TRP A 116 5.855 -5.287 3.129 1.00 0.00 C ATOM 895 O TRP A 116 6.914 -5.032 3.689 1.00 0.00 O ATOM 896 CB TRP A 116 4.378 -3.445 2.273 1.00 0.00 C ATOM 897 CG TRP A 116 4.557 -2.092 1.661 1.00 0.00 C ATOM 898 CD1 TRP A 116 3.554 -1.291 1.242 1.00 0.00 C ATOM 899 CD2 TRP A 116 5.795 -1.375 1.349 1.00 0.00 C ATOM 900 NE1 TRP A 116 4.081 -0.137 0.706 1.00 0.00 N ATOM 901 CE2 TRP A 116 5.454 -0.170 0.671 1.00 0.00 C ATOM 902 CE3 TRP A 116 7.172 -1.606 1.569 1.00 0.00 C ATOM 903 CZ2 TRP A 116 6.420 0.706 0.166 1.00 0.00 C ATOM 904 CZ3 TRP A 116 8.146 -0.806 0.954 1.00 0.00 C ATOM 905 CH2 TRP A 116 7.774 0.355 0.264 1.00 0.00 C ATOM 0 H TRP A 116 4.162 -5.118 0.365 1.00 0.00 H new ATOM 0 HA TRP A 116 6.319 -3.938 1.563 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.402 -3.830 1.979 1.00 0.00 H new ATOM 0 HB3 TRP A 116 4.364 -3.334 3.357 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.501 -1.520 1.316 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.520 0.648 0.375 1.00 0.00 H new ATOM 0 HE3 TRP A 116 7.479 -2.411 2.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 6.128 1.639 -0.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 9.187 -1.086 1.013 1.00 0.00 H new ATOM 0 HH2 TRP A 116 8.529 0.979 -0.192 1.00 0.00 H new ATOM 916 N LYS A 117 5.071 -6.278 3.560 1.00 0.00 N ATOM 917 CA LYS A 117 5.536 -7.138 4.648 1.00 0.00 C ATOM 918 C LYS A 117 6.965 -7.680 4.421 1.00 0.00 C ATOM 919 O LYS A 117 7.811 -7.542 5.303 1.00 0.00 O ATOM 920 CB LYS A 117 4.535 -8.271 4.915 1.00 0.00 C ATOM 921 CG LYS A 117 3.292 -7.760 5.655 1.00 0.00 C ATOM 922 CD LYS A 117 2.319 -8.909 5.975 1.00 0.00 C ATOM 923 CE LYS A 117 1.581 -9.482 4.756 1.00 0.00 C ATOM 924 NZ LYS A 117 0.771 -8.468 4.042 1.00 0.00 N ATOM 0 H LYS A 117 4.147 -6.499 3.189 1.00 0.00 H new ATOM 0 HA LYS A 117 5.592 -6.515 5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.236 -8.724 3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 117 5.016 -9.051 5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.593 -7.268 6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.786 -7.011 5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.874 -9.713 6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.582 -8.553 6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.308 -9.910 4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.932 -10.295 5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.324 -8.904 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.035 -8.101 4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.385 -7.687 3.735 1.00 0.00 H new ATOM 938 N LEU A 118 7.275 -8.222 3.242 1.00 0.00 N ATOM 939 CA LEU A 118 8.645 -8.645 2.929 1.00 0.00 C ATOM 940 C LEU A 118 9.661 -7.487 3.029 1.00 0.00 C ATOM 941 O LEU A 118 10.615 -7.569 3.805 1.00 0.00 O ATOM 942 CB LEU A 118 8.702 -9.348 1.567 1.00 0.00 C ATOM 943 CG LEU A 118 7.833 -10.616 1.495 1.00 0.00 C ATOM 944 CD1 LEU A 118 7.901 -11.177 0.070 1.00 0.00 C ATOM 945 CD2 LEU A 118 8.278 -11.700 2.484 1.00 0.00 C ATOM 0 H LEU A 118 6.602 -8.379 2.491 1.00 0.00 H new ATOM 0 HA LEU A 118 8.942 -9.368 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 118 8.379 -8.651 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 118 9.736 -9.613 1.346 1.00 0.00 H new ATOM 0 HG LEU A 118 6.815 -10.334 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.289 -12.077 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.528 -10.432 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.934 -11.422 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.628 -12.570 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 118 9.306 -11.990 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.216 -11.312 3.501 1.00 0.00 H new ATOM 957 N GLU A 119 9.461 -6.373 2.328 1.00 0.00 N ATOM 958 CA GLU A 119 10.358 -5.216 2.419 1.00 0.00 C ATOM 959 C GLU A 119 10.389 -4.556 3.813 1.00 0.00 C ATOM 960 O GLU A 119 11.347 -3.876 4.178 1.00 0.00 O ATOM 961 CB GLU A 119 10.052 -4.228 1.288 1.00 0.00 C ATOM 962 CG GLU A 119 10.139 -4.877 -0.106 1.00 0.00 C ATOM 963 CD GLU A 119 11.386 -5.710 -0.323 1.00 0.00 C ATOM 964 OE1 GLU A 119 12.498 -5.213 -0.045 1.00 0.00 O ATOM 965 OE2 GLU A 119 11.250 -6.892 -0.706 1.00 0.00 O ATOM 0 H GLU A 119 8.680 -6.244 1.685 1.00 0.00 H new ATOM 0 HA GLU A 119 11.376 -5.581 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.053 -3.816 1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.751 -3.394 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.263 -5.508 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.102 -4.094 -0.863 1.00 0.00 H new ATOM 972 N ASN A 120 9.406 -4.825 4.668 1.00 0.00 N ATOM 973 CA ASN A 120 9.384 -4.457 6.086 1.00 0.00 C ATOM 974 C ASN A 120 10.124 -5.479 6.981 1.00 0.00 C ATOM 975 O ASN A 120 10.475 -5.184 8.130 1.00 0.00 O ATOM 976 CB ASN A 120 7.928 -4.307 6.549 1.00 0.00 C ATOM 977 CG ASN A 120 7.089 -3.246 5.845 1.00 0.00 C ATOM 978 OD1 ASN A 120 5.871 -3.232 5.977 1.00 0.00 O ATOM 979 ND2 ASN A 120 7.688 -2.360 5.069 1.00 0.00 N ATOM 0 H ASN A 120 8.565 -5.327 4.382 1.00 0.00 H new ATOM 0 HA ASN A 120 9.913 -3.510 6.188 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.431 -5.270 6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.932 -4.084 7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.136 -1.659 4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 120 8.702 -2.377 4.964 1.00 0.00 H new ATOM 986 N GLN A 121 10.347 -6.691 6.472 1.00 0.00 N ATOM 987 CA GLN A 121 10.928 -7.845 7.161 1.00 0.00 C ATOM 988 C GLN A 121 12.426 -8.033 6.852 1.00 0.00 C ATOM 989 O GLN A 121 13.234 -8.187 7.760 1.00 0.00 O ATOM 990 CB GLN A 121 10.097 -9.063 6.733 1.00 0.00 C ATOM 991 CG GLN A 121 10.540 -10.416 7.291 1.00 0.00 C ATOM 992 CD GLN A 121 9.583 -11.509 6.832 1.00 0.00 C ATOM 993 OE1 GLN A 121 8.688 -11.905 7.557 1.00 0.00 O ATOM 994 NE2 GLN A 121 9.726 -11.987 5.605 1.00 0.00 N ATOM 0 H GLN A 121 10.111 -6.907 5.504 1.00 0.00 H new ATOM 0 HA GLN A 121 10.889 -7.700 8.241 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.062 -8.893 7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.110 -9.121 5.645 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.552 -10.643 6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.566 -10.378 8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.480 -11.646 5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 121 9.082 -12.696 5.256 1.00 0.00 H new ATOM 1003 N LYS A 122 12.802 -8.027 5.571 1.00 0.00 N ATOM 1004 CA LYS A 122 14.112 -8.449 5.066 1.00 0.00 C ATOM 1005 C LYS A 122 15.340 -7.848 5.798 1.00 0.00 C ATOM 1006 O LYS A 122 15.329 -6.692 6.231 1.00 0.00 O ATOM 1007 CB LYS A 122 14.172 -8.141 3.561 1.00 0.00 C ATOM 1008 CG LYS A 122 13.282 -9.061 2.703 1.00 0.00 C ATOM 1009 CD LYS A 122 12.926 -8.387 1.366 1.00 0.00 C ATOM 1010 CE LYS A 122 14.084 -8.341 0.360 1.00 0.00 C ATOM 1011 NZ LYS A 122 13.779 -7.420 -0.756 1.00 0.00 N ATOM 0 H LYS A 122 12.178 -7.716 4.827 1.00 0.00 H new ATOM 0 HA LYS A 122 14.189 -9.518 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 122 13.871 -7.106 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 122 15.204 -8.230 3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 122 13.799 -10.002 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.369 -9.303 3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 122 12.088 -8.919 0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 122 12.589 -7.369 1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 122 14.995 -8.019 0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 122 14.272 -9.341 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 14.386 -7.647 -1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 12.781 -7.524 -1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 13.955 -6.440 -0.455 1.00 0.00 H new ATOM 1025 N LYS A 123 16.408 -8.649 5.870 1.00 0.00 N ATOM 1026 CA LYS A 123 17.762 -8.349 6.354 1.00 0.00 C ATOM 1027 C LYS A 123 18.326 -6.991 5.898 1.00 0.00 C ATOM 1028 O LYS A 123 18.805 -6.919 4.773 1.00 0.00 O ATOM 1029 CB LYS A 123 18.676 -9.463 5.781 1.00 0.00 C ATOM 1030 CG LYS A 123 20.201 -9.269 5.973 1.00 0.00 C ATOM 1031 CD LYS A 123 21.059 -9.951 4.884 1.00 0.00 C ATOM 1032 CE LYS A 123 20.782 -9.567 3.411 1.00 0.00 C ATOM 1033 NZ LYS A 123 20.633 -8.110 3.176 1.00 0.00 N ATOM 0 H LYS A 123 16.341 -9.619 5.561 1.00 0.00 H new ATOM 0 HA LYS A 123 17.725 -8.305 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 123 18.391 -10.409 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 123 18.475 -9.555 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 123 20.424 -8.202 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 123 20.488 -9.663 6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.106 -9.735 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 123 20.930 -11.029 4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.597 -9.941 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 123 19.873 -10.071 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 20.467 -7.937 2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 19.827 -7.750 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.501 -7.620 3.473 1.00 0.00 H new ATOM 1047 N LEU A 124 18.478 -6.003 6.785 1.00 0.00 N ATOM 1048 CA LEU A 124 19.633 -5.090 6.716 1.00 0.00 C ATOM 1049 C LEU A 124 20.657 -5.473 7.797 1.00 0.00 C ATOM 1050 O LEU A 124 20.344 -5.441 8.988 1.00 0.00 O ATOM 1051 CB LEU A 124 19.223 -3.606 6.778 1.00 0.00 C ATOM 1052 CG LEU A 124 20.433 -2.659 6.957 1.00 0.00 C ATOM 1053 CD1 LEU A 124 21.569 -2.836 5.960 1.00 0.00 C ATOM 1054 CD2 LEU A 124 20.059 -1.195 6.783 1.00 0.00 C ATOM 0 H LEU A 124 17.830 -5.813 7.549 1.00 0.00 H new ATOM 0 HA LEU A 124 20.106 -5.207 5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 124 18.692 -3.342 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 124 18.527 -3.460 7.604 1.00 0.00 H new ATOM 0 HG LEU A 124 20.753 -2.925 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 124 22.362 -2.121 6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 124 21.964 -3.849 6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 124 21.197 -2.665 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 124 20.945 -0.575 6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 124 19.657 -1.039 5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 124 19.307 -0.921 7.523 1.00 0.00 H new ATOM 1066 N TYR A 125 21.878 -5.846 7.416 1.00 0.00 N ATOM 1067 CA TYR A 125 22.959 -6.258 8.326 1.00 0.00 C ATOM 1068 C TYR A 125 23.563 -5.127 9.201 1.00 0.00 C ATOM 1069 O TYR A 125 24.723 -5.192 9.589 1.00 0.00 O ATOM 1070 CB TYR A 125 24.019 -7.007 7.496 1.00 0.00 C ATOM 1071 CG TYR A 125 24.401 -6.382 6.159 1.00 0.00 C ATOM 1072 CD1 TYR A 125 24.785 -5.028 6.064 1.00 0.00 C ATOM 1073 CD2 TYR A 125 24.357 -7.171 4.992 1.00 0.00 C ATOM 1074 CE1 TYR A 125 25.076 -4.463 4.809 1.00 0.00 C ATOM 1075 CE2 TYR A 125 24.645 -6.601 3.743 1.00 0.00 C ATOM 1076 CZ TYR A 125 25.043 -5.259 3.656 1.00 0.00 C ATOM 1077 OH TYR A 125 25.258 -4.725 2.431 1.00 0.00 O ATOM 0 H TYR A 125 22.156 -5.872 6.435 1.00 0.00 H new ATOM 0 HA TYR A 125 22.525 -6.919 9.077 1.00 0.00 H new ATOM 0 HB2 TYR A 125 24.922 -7.100 8.100 1.00 0.00 H new ATOM 0 HB3 TYR A 125 23.655 -8.017 7.309 1.00 0.00 H new ATOM 0 HD1 TYR A 125 24.856 -4.424 6.956 1.00 0.00 H new ATOM 0 HD2 TYR A 125 24.101 -8.218 5.060 1.00 0.00 H new ATOM 0 HE1 TYR A 125 25.325 -3.415 4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 125 24.560 -7.197 2.846 1.00 0.00 H new ATOM 0 HH TYR A 125 25.639 -3.827 2.528 1.00 0.00 H new ATOM 1087 N ARG A 126 22.778 -4.098 9.535 1.00 0.00 N ATOM 1088 CA ARG A 126 23.166 -2.912 10.310 1.00 0.00 C ATOM 1089 C ARG A 126 24.212 -2.017 9.612 1.00 0.00 C ATOM 1090 O ARG A 126 23.945 -0.850 9.356 1.00 0.00 O ATOM 1091 CB ARG A 126 23.596 -3.271 11.742 1.00 0.00 C ATOM 1092 CG ARG A 126 22.603 -4.129 12.545 1.00 0.00 C ATOM 1093 CD ARG A 126 21.196 -3.523 12.664 1.00 0.00 C ATOM 1094 NE ARG A 126 20.325 -3.983 11.566 1.00 0.00 N ATOM 1095 CZ ARG A 126 18.999 -3.855 11.464 1.00 0.00 C ATOM 1096 NH1 ARG A 126 18.278 -3.128 12.294 1.00 0.00 N ATOM 1097 NH2 ARG A 126 18.366 -4.487 10.501 1.00 0.00 N ATOM 0 H ARG A 126 21.797 -4.067 9.256 1.00 0.00 H new ATOM 0 HA ARG A 126 22.260 -2.309 10.373 1.00 0.00 H new ATOM 0 HB2 ARG A 126 24.548 -3.800 11.693 1.00 0.00 H new ATOM 0 HB3 ARG A 126 23.774 -2.346 12.290 1.00 0.00 H new ATOM 0 HG2 ARG A 126 22.525 -5.109 12.075 1.00 0.00 H new ATOM 0 HG3 ARG A 126 23.004 -4.287 13.546 1.00 0.00 H new ATOM 0 HD2 ARG A 126 20.757 -3.801 13.622 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.263 -2.435 12.648 1.00 0.00 H new ATOM 0 HE ARG A 126 20.791 -4.456 10.792 1.00 0.00 H new ATOM 0 HH11 ARG A 126 18.731 -2.629 13.060 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.268 -3.064 12.170 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.887 -5.067 9.843 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.354 -4.398 10.412 1.00 0.00 H new ATOM 1284 N LEU B 68 17.144 13.855 2.516 1.00 0.00 N ATOM 1285 CA LEU B 68 18.092 12.871 1.991 1.00 0.00 C ATOM 1286 C LEU B 68 19.522 13.442 1.939 1.00 0.00 C ATOM 1287 O LEU B 68 20.122 13.678 0.894 1.00 0.00 O ATOM 1288 CB LEU B 68 17.593 12.150 0.722 1.00 0.00 C ATOM 1289 CG LEU B 68 16.965 10.776 1.037 1.00 0.00 C ATOM 1290 CD1 LEU B 68 15.718 10.896 1.918 1.00 0.00 C ATOM 1291 CD2 LEU B 68 16.577 10.103 -0.284 1.00 0.00 C ATOM 0 HA LEU B 68 18.153 12.048 2.703 1.00 0.00 H new ATOM 0 HB2 LEU B 68 16.857 12.776 0.217 1.00 0.00 H new ATOM 0 HB3 LEU B 68 18.426 12.017 0.032 1.00 0.00 H new ATOM 0 HG LEU B 68 17.701 10.186 1.584 1.00 0.00 H new ATOM 0 HD11 LEU B 68 15.313 9.903 2.112 1.00 0.00 H new ATOM 0 HD12 LEU B 68 15.984 11.370 2.863 1.00 0.00 H new ATOM 0 HD13 LEU B 68 14.968 11.501 1.407 1.00 0.00 H new ATOM 0 HD21 LEU B 68 16.131 9.130 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU B 68 15.857 10.728 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU B 68 17.466 9.972 -0.901 1.00 0.00 H new ATOM 1303 N SER B 69 20.057 13.654 3.137 1.00 0.00 N ATOM 1304 CA SER B 69 21.416 14.074 3.459 1.00 0.00 C ATOM 1305 C SER B 69 22.327 12.860 3.713 1.00 0.00 C ATOM 1306 O SER B 69 21.854 11.731 3.800 1.00 0.00 O ATOM 1307 CB SER B 69 21.369 14.953 4.722 1.00 0.00 C ATOM 1308 OG SER B 69 20.157 15.688 4.775 1.00 0.00 O ATOM 0 H SER B 69 19.501 13.525 3.982 1.00 0.00 H new ATOM 0 HA SER B 69 21.824 14.632 2.616 1.00 0.00 H new ATOM 0 HB2 SER B 69 21.460 14.328 5.610 1.00 0.00 H new ATOM 0 HB3 SER B 69 22.217 15.638 4.726 1.00 0.00 H new ATOM 0 HG SER B 69 19.437 15.109 5.101 1.00 0.00 H new ATOM 1314 N ALA B 70 23.630 13.108 3.886 1.00 0.00 N ATOM 1315 CA ALA B 70 24.667 12.095 4.119 1.00 0.00 C ATOM 1316 C ALA B 70 24.208 10.851 4.910 1.00 0.00 C ATOM 1317 O ALA B 70 24.185 9.752 4.367 1.00 0.00 O ATOM 1318 CB ALA B 70 25.870 12.764 4.787 1.00 0.00 C ATOM 0 H ALA B 70 24.006 14.056 3.867 1.00 0.00 H new ATOM 0 HA ALA B 70 24.936 11.697 3.141 1.00 0.00 H new ATOM 0 HB1 ALA B 70 26.647 12.021 4.965 1.00 0.00 H new ATOM 0 HB2 ALA B 70 26.259 13.547 4.136 1.00 0.00 H new ATOM 0 HB3 ALA B 70 25.562 13.202 5.737 1.00 0.00 H new ATOM 1324 N CYS B 71 23.849 11.016 6.184 1.00 0.00 N ATOM 1325 CA CYS B 71 23.465 9.908 7.055 1.00 0.00 C ATOM 1326 C CYS B 71 22.254 9.106 6.551 1.00 0.00 C ATOM 1327 O CYS B 71 22.352 7.895 6.349 1.00 0.00 O ATOM 1328 CB CYS B 71 23.279 10.386 8.505 1.00 0.00 C ATOM 1329 SG CYS B 71 22.361 11.940 8.662 1.00 0.00 S ATOM 0 H CYS B 71 23.817 11.927 6.641 1.00 0.00 H new ATOM 0 HA CYS B 71 24.296 9.203 7.031 1.00 0.00 H new ATOM 0 HB2 CYS B 71 22.758 9.611 9.067 1.00 0.00 H new ATOM 0 HB3 CYS B 71 24.260 10.508 8.964 1.00 0.00 H new ATOM 0 HG CYS B 71 21.263 11.867 7.971 1.00 0.00 H new ATOM 1335 N GLU B 72 21.092 9.737 6.349 1.00 0.00 N ATOM 1336 CA GLU B 72 19.922 8.997 5.891 1.00 0.00 C ATOM 1337 C GLU B 72 20.127 8.373 4.490 1.00 0.00 C ATOM 1338 O GLU B 72 19.658 7.267 4.233 1.00 0.00 O ATOM 1339 CB GLU B 72 18.659 9.858 6.045 1.00 0.00 C ATOM 1340 CG GLU B 72 18.675 11.155 5.216 1.00 0.00 C ATOM 1341 CD GLU B 72 19.146 12.406 5.935 1.00 0.00 C ATOM 1342 OE1 GLU B 72 19.967 12.301 6.873 1.00 0.00 O ATOM 1343 OE2 GLU B 72 18.701 13.487 5.485 1.00 0.00 O ATOM 0 H GLU B 72 20.942 10.736 6.493 1.00 0.00 H new ATOM 0 HA GLU B 72 19.775 8.128 6.533 1.00 0.00 H new ATOM 0 HB2 GLU B 72 17.791 9.265 5.755 1.00 0.00 H new ATOM 0 HB3 GLU B 72 18.533 10.114 7.097 1.00 0.00 H new ATOM 0 HG2 GLU B 72 19.315 10.998 4.347 1.00 0.00 H new ATOM 0 HG3 GLU B 72 17.667 11.334 4.842 1.00 0.00 H new ATOM 1350 N VAL B 73 20.883 9.029 3.602 1.00 0.00 N ATOM 1351 CA VAL B 73 21.268 8.459 2.307 1.00 0.00 C ATOM 1352 C VAL B 73 22.168 7.231 2.484 1.00 0.00 C ATOM 1353 O VAL B 73 21.891 6.181 1.921 1.00 0.00 O ATOM 1354 CB VAL B 73 21.929 9.528 1.420 1.00 0.00 C ATOM 1355 CG1 VAL B 73 22.553 8.928 0.154 1.00 0.00 C ATOM 1356 CG2 VAL B 73 20.873 10.544 0.979 1.00 0.00 C ATOM 0 H VAL B 73 21.245 9.969 3.761 1.00 0.00 H new ATOM 0 HA VAL B 73 20.364 8.120 1.801 1.00 0.00 H new ATOM 0 HB VAL B 73 22.716 9.994 2.013 1.00 0.00 H new ATOM 0 HG11 VAL B 73 23.007 9.722 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL B 73 23.317 8.202 0.434 1.00 0.00 H new ATOM 0 HG13 VAL B 73 21.780 8.433 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL B 73 21.339 11.303 0.350 1.00 0.00 H new ATOM 0 HG22 VAL B 73 20.091 10.035 0.415 1.00 0.00 H new ATOM 0 HG23 VAL B 73 20.436 11.019 1.857 1.00 0.00 H new ATOM 1366 N ALA B 74 23.224 7.341 3.292 1.00 0.00 N ATOM 1367 CA ALA B 74 24.136 6.231 3.569 1.00 0.00 C ATOM 1368 C ALA B 74 23.377 5.008 4.102 1.00 0.00 C ATOM 1369 O ALA B 74 23.654 3.862 3.758 1.00 0.00 O ATOM 1370 CB ALA B 74 25.201 6.699 4.566 1.00 0.00 C ATOM 0 H ALA B 74 23.471 8.205 3.774 1.00 0.00 H new ATOM 0 HA ALA B 74 24.621 5.925 2.642 1.00 0.00 H new ATOM 0 HB1 ALA B 74 25.886 5.878 4.779 1.00 0.00 H new ATOM 0 HB2 ALA B 74 25.757 7.534 4.139 1.00 0.00 H new ATOM 0 HB3 ALA B 74 24.719 7.018 5.490 1.00 0.00 H new ATOM 1376 N VAL B 75 22.382 5.261 4.946 1.00 0.00 N ATOM 1377 CA VAL B 75 21.517 4.217 5.481 1.00 0.00 C ATOM 1378 C VAL B 75 20.530 3.666 4.430 1.00 0.00 C ATOM 1379 O VAL B 75 20.282 2.459 4.381 1.00 0.00 O ATOM 1380 CB VAL B 75 20.907 4.727 6.792 1.00 0.00 C ATOM 1381 CG1 VAL B 75 19.676 3.929 7.211 1.00 0.00 C ATOM 1382 CG2 VAL B 75 22.004 4.632 7.860 1.00 0.00 C ATOM 0 H VAL B 75 22.153 6.198 5.279 1.00 0.00 H new ATOM 0 HA VAL B 75 22.090 3.324 5.730 1.00 0.00 H new ATOM 0 HB VAL B 75 20.564 5.754 6.662 1.00 0.00 H new ATOM 0 HG11 VAL B 75 19.283 4.330 8.145 1.00 0.00 H new ATOM 0 HG12 VAL B 75 18.914 4.002 6.435 1.00 0.00 H new ATOM 0 HG13 VAL B 75 19.951 2.884 7.353 1.00 0.00 H new ATOM 0 HG21 VAL B 75 21.614 4.986 8.814 1.00 0.00 H new ATOM 0 HG22 VAL B 75 22.325 3.595 7.961 1.00 0.00 H new ATOM 0 HG23 VAL B 75 22.854 5.247 7.564 1.00 0.00 H new ATOM 1392 N LEU B 76 20.004 4.516 3.549 1.00 0.00 N ATOM 1393 CA LEU B 76 19.274 4.075 2.353 1.00 0.00 C ATOM 1394 C LEU B 76 20.115 3.219 1.392 1.00 0.00 C ATOM 1395 O LEU B 76 19.633 2.246 0.817 1.00 0.00 O ATOM 1396 CB LEU B 76 18.601 5.266 1.669 1.00 0.00 C ATOM 1397 CG LEU B 76 17.205 5.476 2.276 1.00 0.00 C ATOM 1398 CD1 LEU B 76 16.774 6.929 2.127 1.00 0.00 C ATOM 1399 CD2 LEU B 76 16.170 4.588 1.573 1.00 0.00 C ATOM 0 H LEU B 76 20.070 5.530 3.641 1.00 0.00 H new ATOM 0 HA LEU B 76 18.489 3.397 2.688 1.00 0.00 H new ATOM 0 HB2 LEU B 76 19.205 6.164 1.798 1.00 0.00 H new ATOM 0 HB3 LEU B 76 18.521 5.087 0.597 1.00 0.00 H new ATOM 0 HG LEU B 76 17.260 5.211 3.332 1.00 0.00 H new ATOM 0 HD11 LEU B 76 15.783 7.061 2.562 1.00 0.00 H new ATOM 0 HD12 LEU B 76 17.485 7.574 2.642 1.00 0.00 H new ATOM 0 HD13 LEU B 76 16.744 7.193 1.070 1.00 0.00 H new ATOM 0 HD21 LEU B 76 15.188 4.752 2.018 1.00 0.00 H new ATOM 0 HD22 LEU B 76 16.135 4.839 0.513 1.00 0.00 H new ATOM 0 HD23 LEU B 76 16.451 3.541 1.688 1.00 0.00 H new ATOM 1411 N ASP B 77 21.393 3.541 1.268 1.00 0.00 N ATOM 1412 CA ASP B 77 22.324 2.760 0.467 1.00 0.00 C ATOM 1413 C ASP B 77 22.529 1.391 1.132 1.00 0.00 C ATOM 1414 O ASP B 77 22.268 0.354 0.528 1.00 0.00 O ATOM 1415 CB ASP B 77 23.614 3.563 0.264 1.00 0.00 C ATOM 1416 CG ASP B 77 24.589 2.804 -0.614 1.00 0.00 C ATOM 1417 OD1 ASP B 77 25.258 1.912 -0.056 1.00 0.00 O ATOM 1418 OD2 ASP B 77 24.641 3.109 -1.820 1.00 0.00 O ATOM 0 H ASP B 77 21.815 4.352 1.720 1.00 0.00 H new ATOM 0 HA ASP B 77 21.931 2.562 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP B 77 23.381 4.525 -0.192 1.00 0.00 H new ATOM 0 HB3 ASP B 77 24.074 3.771 1.230 1.00 0.00 H new ATOM 1423 N LEU B 78 22.849 1.370 2.432 1.00 0.00 N ATOM 1424 CA LEU B 78 22.882 0.147 3.217 1.00 0.00 C ATOM 1425 C LEU B 78 21.626 -0.716 3.005 1.00 0.00 C ATOM 1426 O LEU B 78 21.756 -1.908 2.719 1.00 0.00 O ATOM 1427 CB LEU B 78 23.098 0.480 4.699 1.00 0.00 C ATOM 1428 CG LEU B 78 24.539 0.875 5.057 1.00 0.00 C ATOM 1429 CD1 LEU B 78 24.590 1.415 6.490 1.00 0.00 C ATOM 1430 CD2 LEU B 78 25.505 -0.313 4.959 1.00 0.00 C ATOM 0 H LEU B 78 23.092 2.207 2.963 1.00 0.00 H new ATOM 0 HA LEU B 78 23.723 -0.453 2.870 1.00 0.00 H new ATOM 0 HB2 LEU B 78 22.431 1.296 4.976 1.00 0.00 H new ATOM 0 HB3 LEU B 78 22.811 -0.384 5.299 1.00 0.00 H new ATOM 0 HG LEU B 78 24.847 1.637 4.341 1.00 0.00 H new ATOM 0 HD11 LEU B 78 25.614 1.693 6.738 1.00 0.00 H new ATOM 0 HD12 LEU B 78 23.946 2.291 6.572 1.00 0.00 H new ATOM 0 HD13 LEU B 78 24.246 0.646 7.181 1.00 0.00 H new ATOM 0 HD21 LEU B 78 26.511 0.014 5.221 1.00 0.00 H new ATOM 0 HD22 LEU B 78 25.188 -1.097 5.646 1.00 0.00 H new ATOM 0 HD23 LEU B 78 25.503 -0.701 3.940 1.00 0.00 H new ATOM 1442 N TYR B 79 20.409 -0.164 3.125 1.00 0.00 N ATOM 1443 CA TYR B 79 19.183 -0.894 2.802 1.00 0.00 C ATOM 1444 C TYR B 79 19.264 -1.624 1.458 1.00 0.00 C ATOM 1445 O TYR B 79 19.033 -2.834 1.431 1.00 0.00 O ATOM 1446 CB TYR B 79 17.957 0.035 2.801 1.00 0.00 C ATOM 1447 CG TYR B 79 17.421 0.428 4.155 1.00 0.00 C ATOM 1448 CD1 TYR B 79 17.179 -0.549 5.137 1.00 0.00 C ATOM 1449 CD2 TYR B 79 17.164 1.772 4.458 1.00 0.00 C ATOM 1450 CE1 TYR B 79 17.024 -0.154 6.473 1.00 0.00 C ATOM 1451 CE2 TYR B 79 17.068 2.166 5.796 1.00 0.00 C ATOM 1452 CZ TYR B 79 17.165 1.201 6.800 1.00 0.00 C ATOM 1453 OH TYR B 79 17.165 1.560 8.107 1.00 0.00 O ATOM 0 H TYR B 79 20.252 0.791 3.446 1.00 0.00 H new ATOM 0 HA TYR B 79 19.071 -1.642 3.587 1.00 0.00 H new ATOM 0 HB2 TYR B 79 18.216 0.944 2.257 1.00 0.00 H new ATOM 0 HB3 TYR B 79 17.157 -0.453 2.244 1.00 0.00 H new ATOM 0 HD1 TYR B 79 17.113 -1.592 4.865 1.00 0.00 H new ATOM 0 HD2 TYR B 79 17.041 2.496 3.666 1.00 0.00 H new ATOM 0 HE1 TYR B 79 16.799 -0.883 7.238 1.00 0.00 H new ATOM 0 HE2 TYR B 79 16.920 3.205 6.050 1.00 0.00 H new ATOM 0 HH TYR B 79 17.299 0.765 8.665 1.00 0.00 H new ATOM 1463 N GLU B 80 19.589 -0.932 0.365 1.00 0.00 N ATOM 1464 CA GLU B 80 19.504 -1.507 -0.976 1.00 0.00 C ATOM 1465 C GLU B 80 20.734 -2.336 -1.390 1.00 0.00 C ATOM 1466 O GLU B 80 20.576 -3.360 -2.054 1.00 0.00 O ATOM 1467 CB GLU B 80 19.035 -0.449 -1.981 1.00 0.00 C ATOM 1468 CG GLU B 80 17.585 0.013 -1.689 1.00 0.00 C ATOM 1469 CD GLU B 80 16.465 -0.952 -2.102 1.00 0.00 C ATOM 1470 OE1 GLU B 80 16.561 -2.157 -1.780 1.00 0.00 O ATOM 1471 OE2 GLU B 80 15.499 -0.460 -2.723 1.00 0.00 O ATOM 0 H GLU B 80 19.916 0.034 0.384 1.00 0.00 H new ATOM 0 HA GLU B 80 18.729 -2.274 -0.966 1.00 0.00 H new ATOM 0 HB2 GLU B 80 19.705 0.410 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU B 80 19.091 -0.855 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU B 80 17.496 0.202 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU B 80 17.421 0.964 -2.196 1.00 0.00 H new ATOM 1478 N GLN B 81 21.927 -2.059 -0.850 1.00 0.00 N ATOM 1479 CA GLN B 81 22.974 -3.088 -0.740 1.00 0.00 C ATOM 1480 C GLN B 81 22.376 -4.372 -0.138 1.00 0.00 C ATOM 1481 O GLN B 81 22.596 -5.493 -0.595 1.00 0.00 O ATOM 1482 CB GLN B 81 24.099 -2.677 0.221 1.00 0.00 C ATOM 1483 CG GLN B 81 25.000 -1.483 -0.114 1.00 0.00 C ATOM 1484 CD GLN B 81 26.016 -1.284 1.012 1.00 0.00 C ATOM 1485 OE1 GLN B 81 26.302 -2.198 1.786 1.00 0.00 O ATOM 1486 NE2 GLN B 81 26.569 -0.100 1.161 1.00 0.00 N ATOM 0 H GLN B 81 22.192 -1.144 -0.486 1.00 0.00 H new ATOM 0 HA GLN B 81 23.366 -3.229 -1.747 1.00 0.00 H new ATOM 0 HB2 GLN B 81 23.640 -2.474 1.189 1.00 0.00 H new ATOM 0 HB3 GLN B 81 24.746 -3.544 0.351 1.00 0.00 H new ATOM 0 HG2 GLN B 81 25.516 -1.656 -1.058 1.00 0.00 H new ATOM 0 HG3 GLN B 81 24.398 -0.583 -0.240 1.00 0.00 H new ATOM 0 HE21 GLN B 81 26.333 0.658 0.520 1.00 0.00 H new ATOM 0 HE22 GLN B 81 27.234 0.061 1.917 1.00 0.00 H new ATOM 1495 N SER B 82 21.606 -4.201 0.938 1.00 0.00 N ATOM 1496 CA SER B 82 20.893 -5.289 1.585 1.00 0.00 C ATOM 1497 C SER B 82 19.640 -5.794 0.833 1.00 0.00 C ATOM 1498 O SER B 82 19.161 -6.870 1.206 1.00 0.00 O ATOM 1499 CB SER B 82 20.629 -4.967 3.057 1.00 0.00 C ATOM 1500 OG SER B 82 21.603 -5.637 3.857 1.00 0.00 O ATOM 0 H SER B 82 21.463 -3.295 1.383 1.00 0.00 H new ATOM 0 HA SER B 82 21.562 -6.149 1.544 1.00 0.00 H new ATOM 0 HB2 SER B 82 20.680 -3.891 3.223 1.00 0.00 H new ATOM 0 HB3 SER B 82 19.625 -5.286 3.339 1.00 0.00 H new ATOM 0 HG SER B 82 22.470 -5.620 3.400 1.00 0.00 H new ATOM 1506 N ASN B 83 19.160 -5.064 -0.180 1.00 0.00 N ATOM 1507 CA ASN B 83 17.909 -5.146 -0.957 1.00 0.00 C ATOM 1508 C ASN B 83 16.602 -4.902 -0.168 1.00 0.00 C ATOM 1509 O ASN B 83 15.691 -5.728 -0.202 1.00 0.00 O ATOM 1510 CB ASN B 83 17.901 -6.313 -1.971 1.00 0.00 C ATOM 1511 CG ASN B 83 17.209 -7.604 -1.539 1.00 0.00 C ATOM 1512 OD1 ASN B 83 16.136 -7.962 -2.015 1.00 0.00 O ATOM 1513 ND2 ASN B 83 17.796 -8.365 -0.634 1.00 0.00 N ATOM 0 H ASN B 83 19.722 -4.286 -0.527 1.00 0.00 H new ATOM 0 HA ASN B 83 17.913 -4.255 -1.585 1.00 0.00 H new ATOM 0 HB2 ASN B 83 17.423 -5.963 -2.886 1.00 0.00 H new ATOM 0 HB3 ASN B 83 18.935 -6.551 -2.222 1.00 0.00 H new ATOM 0 HD21 ASN B 83 17.357 -9.238 -0.339 1.00 0.00 H new ATOM 0 HD22 ASN B 83 18.688 -8.080 -0.229 1.00 0.00 H new ATOM 1520 N ILE B 84 16.503 -3.804 0.586 1.00 0.00 N ATOM 1521 CA ILE B 84 15.293 -3.377 1.307 1.00 0.00 C ATOM 1522 C ILE B 84 14.695 -2.103 0.690 1.00 0.00 C ATOM 1523 O ILE B 84 15.147 -0.998 0.976 1.00 0.00 O ATOM 1524 CB ILE B 84 15.599 -3.183 2.812 1.00 0.00 C ATOM 1525 CG1 ILE B 84 15.587 -4.517 3.567 1.00 0.00 C ATOM 1526 CG2 ILE B 84 14.566 -2.305 3.547 1.00 0.00 C ATOM 1527 CD1 ILE B 84 16.606 -5.528 3.068 1.00 0.00 C ATOM 0 H ILE B 84 17.287 -3.164 0.718 1.00 0.00 H new ATOM 0 HA ILE B 84 14.545 -4.164 1.211 1.00 0.00 H new ATOM 0 HB ILE B 84 16.579 -2.706 2.815 1.00 0.00 H new ATOM 0 HG12 ILE B 84 15.771 -4.324 4.624 1.00 0.00 H new ATOM 0 HG13 ILE B 84 14.592 -4.955 3.492 1.00 0.00 H new ATOM 0 HG21 ILE B 84 14.847 -2.214 4.596 1.00 0.00 H new ATOM 0 HG22 ILE B 84 14.540 -1.315 3.091 1.00 0.00 H new ATOM 0 HG23 ILE B 84 13.580 -2.764 3.473 1.00 0.00 H new ATOM 0 HD11 ILE B 84 16.530 -6.442 3.656 1.00 0.00 H new ATOM 0 HD12 ILE B 84 16.411 -5.754 2.020 1.00 0.00 H new ATOM 0 HD13 ILE B 84 17.609 -5.114 3.170 1.00 0.00 H new ATOM 1539 N ARG B 85 13.581 -2.225 -0.033 1.00 0.00 N ATOM 1540 CA ARG B 85 12.875 -1.023 -0.480 1.00 0.00 C ATOM 1541 C ARG B 85 12.206 -0.316 0.718 1.00 0.00 C ATOM 1542 O ARG B 85 11.511 -0.942 1.520 1.00 0.00 O ATOM 1543 CB ARG B 85 11.897 -1.370 -1.621 1.00 0.00 C ATOM 1544 CG ARG B 85 11.900 -0.312 -2.742 1.00 0.00 C ATOM 1545 CD ARG B 85 11.087 0.952 -2.431 1.00 0.00 C ATOM 1546 NE ARG B 85 9.650 0.757 -2.714 1.00 0.00 N ATOM 1547 CZ ARG B 85 8.702 1.702 -2.687 1.00 0.00 C ATOM 1548 NH1 ARG B 85 8.900 2.855 -2.071 1.00 0.00 N ATOM 1549 NH2 ARG B 85 7.541 1.467 -3.261 1.00 0.00 N ATOM 0 H ARG B 85 13.159 -3.110 -0.314 1.00 0.00 H new ATOM 0 HA ARG B 85 13.586 -0.309 -0.895 1.00 0.00 H new ATOM 0 HB2 ARG B 85 12.163 -2.340 -2.041 1.00 0.00 H new ATOM 0 HB3 ARG B 85 10.889 -1.463 -1.216 1.00 0.00 H new ATOM 0 HG2 ARG B 85 12.931 -0.023 -2.948 1.00 0.00 H new ATOM 0 HG3 ARG B 85 11.508 -0.765 -3.652 1.00 0.00 H new ATOM 0 HD2 ARG B 85 11.219 1.222 -1.383 1.00 0.00 H new ATOM 0 HD3 ARG B 85 11.466 1.784 -3.024 1.00 0.00 H new ATOM 0 HE ARG B 85 9.351 -0.189 -2.953 1.00 0.00 H new ATOM 0 HH11 ARG B 85 9.788 3.038 -1.604 1.00 0.00 H new ATOM 0 HH12 ARG B 85 8.164 3.562 -2.062 1.00 0.00 H new ATOM 0 HH21 ARG B 85 7.371 0.572 -3.720 1.00 0.00 H new ATOM 0 HH22 ARG B 85 6.811 2.180 -3.247 1.00 0.00 H new ATOM 1563 N ILE B 86 12.415 0.993 0.868 1.00 0.00 N ATOM 1564 CA ILE B 86 11.778 1.820 1.898 1.00 0.00 C ATOM 1565 C ILE B 86 10.488 2.498 1.368 1.00 0.00 C ATOM 1566 O ILE B 86 10.499 3.041 0.260 1.00 0.00 O ATOM 1567 CB ILE B 86 12.816 2.815 2.448 1.00 0.00 C ATOM 1568 CG1 ILE B 86 13.952 2.108 3.222 1.00 0.00 C ATOM 1569 CG2 ILE B 86 12.181 3.885 3.339 1.00 0.00 C ATOM 1570 CD1 ILE B 86 13.541 1.382 4.516 1.00 0.00 C ATOM 0 H ILE B 86 13.045 1.521 0.264 1.00 0.00 H new ATOM 0 HA ILE B 86 11.445 1.194 2.726 1.00 0.00 H new ATOM 0 HB ILE B 86 13.244 3.303 1.572 1.00 0.00 H new ATOM 0 HG12 ILE B 86 14.421 1.383 2.556 1.00 0.00 H new ATOM 0 HG13 ILE B 86 14.711 2.850 3.471 1.00 0.00 H new ATOM 0 HG21 ILE B 86 12.954 4.562 3.702 1.00 0.00 H new ATOM 0 HG22 ILE B 86 11.446 4.448 2.764 1.00 0.00 H new ATOM 0 HG23 ILE B 86 11.690 3.408 4.187 1.00 0.00 H new ATOM 0 HD11 ILE B 86 14.419 0.925 4.971 1.00 0.00 H new ATOM 0 HD12 ILE B 86 13.103 2.098 5.211 1.00 0.00 H new ATOM 0 HD13 ILE B 86 12.809 0.609 4.283 1.00 0.00 H new ATOM 1582 N PRO B 87 9.364 2.449 2.113 1.00 0.00 N ATOM 1583 CA PRO B 87 8.202 3.291 1.843 1.00 0.00 C ATOM 1584 C PRO B 87 8.551 4.773 2.004 1.00 0.00 C ATOM 1585 O PRO B 87 9.099 5.152 3.038 1.00 0.00 O ATOM 1586 CB PRO B 87 7.128 2.892 2.870 1.00 0.00 C ATOM 1587 CG PRO B 87 7.614 1.587 3.499 1.00 0.00 C ATOM 1588 CD PRO B 87 9.124 1.588 3.262 1.00 0.00 C ATOM 0 HA PRO B 87 7.854 3.150 0.820 1.00 0.00 H new ATOM 0 HB2 PRO B 87 7.003 3.667 3.626 1.00 0.00 H new ATOM 0 HB3 PRO B 87 6.159 2.757 2.389 1.00 0.00 H new ATOM 0 HG2 PRO B 87 7.379 1.547 4.563 1.00 0.00 H new ATOM 0 HG3 PRO B 87 7.140 0.722 3.035 1.00 0.00 H new ATOM 0 HD2 PRO B 87 9.654 1.957 4.140 1.00 0.00 H new ATOM 0 HD3 PRO B 87 9.487 0.578 3.072 1.00 0.00 H new ATOM 1596 N SER B 88 8.198 5.616 1.034 1.00 0.00 N ATOM 1597 CA SER B 88 8.221 7.070 1.158 1.00 0.00 C ATOM 1598 C SER B 88 7.705 7.530 2.526 1.00 0.00 C ATOM 1599 O SER B 88 8.427 8.247 3.204 1.00 0.00 O ATOM 1600 CB SER B 88 7.464 7.721 -0.007 1.00 0.00 C ATOM 1601 OG SER B 88 6.163 7.180 -0.127 1.00 0.00 O ATOM 0 H SER B 88 7.881 5.297 0.119 1.00 0.00 H new ATOM 0 HA SER B 88 9.257 7.403 1.099 1.00 0.00 H new ATOM 0 HB2 SER B 88 7.402 8.798 0.151 1.00 0.00 H new ATOM 0 HB3 SER B 88 8.014 7.566 -0.935 1.00 0.00 H new ATOM 0 HG SER B 88 5.698 7.610 -0.875 1.00 0.00 H new ATOM 1607 N ASP B 89 6.560 7.039 3.014 1.00 0.00 N ATOM 1608 CA ASP B 89 6.058 7.305 4.361 1.00 0.00 C ATOM 1609 C ASP B 89 7.133 7.334 5.470 1.00 0.00 C ATOM 1610 O ASP B 89 7.165 8.257 6.281 1.00 0.00 O ATOM 1611 CB ASP B 89 4.990 6.255 4.695 1.00 0.00 C ATOM 1612 CG ASP B 89 3.770 6.339 3.810 1.00 0.00 C ATOM 1613 OD1 ASP B 89 3.914 6.096 2.596 1.00 0.00 O ATOM 1614 OD2 ASP B 89 2.686 6.624 4.361 1.00 0.00 O ATOM 0 H ASP B 89 5.946 6.433 2.470 1.00 0.00 H new ATOM 0 HA ASP B 89 5.649 8.315 4.344 1.00 0.00 H new ATOM 0 HB2 ASP B 89 5.428 5.261 4.605 1.00 0.00 H new ATOM 0 HB3 ASP B 89 4.685 6.376 5.734 1.00 0.00 H new ATOM 1619 N ILE B 90 8.022 6.331 5.515 1.00 0.00 N ATOM 1620 CA ILE B 90 9.158 6.334 6.445 1.00 0.00 C ATOM 1621 C ILE B 90 9.945 7.642 6.329 1.00 0.00 C ATOM 1622 O ILE B 90 10.234 8.308 7.318 1.00 0.00 O ATOM 1623 CB ILE B 90 10.112 5.160 6.137 1.00 0.00 C ATOM 1624 CG1 ILE B 90 9.511 3.775 6.409 1.00 0.00 C ATOM 1625 CG2 ILE B 90 11.472 5.307 6.839 1.00 0.00 C ATOM 1626 CD1 ILE B 90 9.348 3.466 7.894 1.00 0.00 C ATOM 0 H ILE B 90 7.975 5.506 4.916 1.00 0.00 H new ATOM 0 HA ILE B 90 8.760 6.232 7.455 1.00 0.00 H new ATOM 0 HB ILE B 90 10.274 5.220 5.061 1.00 0.00 H new ATOM 0 HG12 ILE B 90 8.538 3.708 5.923 1.00 0.00 H new ATOM 0 HG13 ILE B 90 10.148 3.015 5.955 1.00 0.00 H new ATOM 0 HG21 ILE B 90 12.105 4.455 6.589 1.00 0.00 H new ATOM 0 HG22 ILE B 90 11.955 6.227 6.508 1.00 0.00 H new ATOM 0 HG23 ILE B 90 11.322 5.343 7.918 1.00 0.00 H new ATOM 0 HD11 ILE B 90 8.918 2.472 8.014 1.00 0.00 H new ATOM 0 HD12 ILE B 90 10.322 3.501 8.382 1.00 0.00 H new ATOM 0 HD13 ILE B 90 8.687 4.204 8.349 1.00 0.00 H new ATOM 1638 N ILE B 91 10.346 7.969 5.106 1.00 0.00 N ATOM 1639 CA ILE B 91 11.226 9.087 4.806 1.00 0.00 C ATOM 1640 C ILE B 91 10.508 10.424 5.063 1.00 0.00 C ATOM 1641 O ILE B 91 11.047 11.318 5.718 1.00 0.00 O ATOM 1642 CB ILE B 91 11.695 8.906 3.347 1.00 0.00 C ATOM 1643 CG1 ILE B 91 12.509 7.599 3.224 1.00 0.00 C ATOM 1644 CG2 ILE B 91 12.502 10.112 2.862 1.00 0.00 C ATOM 1645 CD1 ILE B 91 12.697 7.115 1.782 1.00 0.00 C ATOM 0 H ILE B 91 10.060 7.449 4.276 1.00 0.00 H new ATOM 0 HA ILE B 91 12.100 9.107 5.457 1.00 0.00 H new ATOM 0 HB ILE B 91 10.817 8.837 2.705 1.00 0.00 H new ATOM 0 HG12 ILE B 91 13.489 7.750 3.677 1.00 0.00 H new ATOM 0 HG13 ILE B 91 12.010 6.817 3.797 1.00 0.00 H new ATOM 0 HG21 ILE B 91 12.816 9.949 1.831 1.00 0.00 H new ATOM 0 HG22 ILE B 91 11.885 11.009 2.916 1.00 0.00 H new ATOM 0 HG23 ILE B 91 13.382 10.239 3.493 1.00 0.00 H new ATOM 0 HD11 ILE B 91 13.278 6.193 1.781 1.00 0.00 H new ATOM 0 HD12 ILE B 91 11.722 6.930 1.330 1.00 0.00 H new ATOM 0 HD13 ILE B 91 13.224 7.877 1.208 1.00 0.00 H new ATOM 1657 N GLU B 92 9.269 10.528 4.583 1.00 0.00 N ATOM 1658 CA GLU B 92 8.321 11.622 4.757 1.00 0.00 C ATOM 1659 C GLU B 92 8.060 11.993 6.221 1.00 0.00 C ATOM 1660 O GLU B 92 7.701 13.131 6.510 1.00 0.00 O ATOM 1661 CB GLU B 92 7.015 11.187 4.091 1.00 0.00 C ATOM 1662 CG GLU B 92 7.159 11.207 2.566 1.00 0.00 C ATOM 1663 CD GLU B 92 5.909 10.759 1.838 1.00 0.00 C ATOM 1664 OE1 GLU B 92 4.919 10.415 2.516 1.00 0.00 O ATOM 1665 OE2 GLU B 92 5.961 10.742 0.595 1.00 0.00 O ATOM 0 H GLU B 92 8.871 9.782 4.013 1.00 0.00 H new ATOM 0 HA GLU B 92 8.744 12.519 4.304 1.00 0.00 H new ATOM 0 HB2 GLU B 92 6.746 10.184 4.424 1.00 0.00 H new ATOM 0 HB3 GLU B 92 6.206 11.851 4.395 1.00 0.00 H new ATOM 0 HG2 GLU B 92 7.415 12.217 2.246 1.00 0.00 H new ATOM 0 HG3 GLU B 92 7.989 10.562 2.278 1.00 0.00 H new ATOM 1672 N ASP B 93 8.222 11.037 7.133 1.00 0.00 N ATOM 1673 CA ASP B 93 8.353 11.274 8.563 1.00 0.00 C ATOM 1674 C ASP B 93 9.823 11.598 8.922 1.00 0.00 C ATOM 1675 O ASP B 93 10.193 12.755 9.162 1.00 0.00 O ATOM 1676 CB ASP B 93 7.798 10.022 9.271 1.00 0.00 C ATOM 1677 CG ASP B 93 8.205 9.931 10.725 1.00 0.00 C ATOM 1678 OD1 ASP B 93 8.368 10.995 11.348 1.00 0.00 O ATOM 1679 OD2 ASP B 93 8.414 8.797 11.205 1.00 0.00 O ATOM 0 H ASP B 93 8.267 10.048 6.887 1.00 0.00 H new ATOM 0 HA ASP B 93 7.785 12.144 8.894 1.00 0.00 H new ATOM 0 HB2 ASP B 93 6.710 10.027 9.204 1.00 0.00 H new ATOM 0 HB3 ASP B 93 8.145 9.132 8.747 1.00 0.00 H new ATOM 1684 N LEU B 94 10.662 10.561 8.924 1.00 0.00 N ATOM 1685 CA LEU B 94 12.041 10.530 9.421 1.00 0.00 C ATOM 1686 C LEU B 94 12.843 11.787 9.073 1.00 0.00 C ATOM 1687 O LEU B 94 13.388 12.465 9.947 1.00 0.00 O ATOM 1688 CB LEU B 94 12.721 9.269 8.860 1.00 0.00 C ATOM 1689 CG LEU B 94 14.134 8.930 9.379 1.00 0.00 C ATOM 1690 CD1 LEU B 94 15.207 9.376 8.386 1.00 0.00 C ATOM 1691 CD2 LEU B 94 14.504 9.474 10.764 1.00 0.00 C ATOM 0 H LEU B 94 10.376 9.655 8.552 1.00 0.00 H new ATOM 0 HA LEU B 94 12.012 10.504 10.510 1.00 0.00 H new ATOM 0 HB2 LEU B 94 12.073 8.417 9.067 1.00 0.00 H new ATOM 0 HB3 LEU B 94 12.776 9.371 7.776 1.00 0.00 H new ATOM 0 HG LEU B 94 14.100 7.845 9.483 1.00 0.00 H new ATOM 0 HD11 LEU B 94 16.193 9.124 8.778 1.00 0.00 H new ATOM 0 HD12 LEU B 94 15.055 8.868 7.434 1.00 0.00 H new ATOM 0 HD13 LEU B 94 15.140 10.454 8.238 1.00 0.00 H new ATOM 0 HD21 LEU B 94 15.520 9.169 11.015 1.00 0.00 H new ATOM 0 HD22 LEU B 94 14.444 10.562 10.755 1.00 0.00 H new ATOM 0 HD23 LEU B 94 13.812 9.078 11.507 1.00 0.00 H new ATOM 1703 N VAL B 95 12.916 12.113 7.782 1.00 0.00 N ATOM 1704 CA VAL B 95 13.777 13.181 7.297 1.00 0.00 C ATOM 1705 C VAL B 95 13.429 14.568 7.872 1.00 0.00 C ATOM 1706 O VAL B 95 14.266 15.467 7.840 1.00 0.00 O ATOM 1707 CB VAL B 95 13.844 13.117 5.763 1.00 0.00 C ATOM 1708 CG1 VAL B 95 12.842 14.029 5.049 1.00 0.00 C ATOM 1709 CG2 VAL B 95 15.252 13.439 5.272 1.00 0.00 C ATOM 0 H VAL B 95 12.381 11.645 7.050 1.00 0.00 H new ATOM 0 HA VAL B 95 14.786 13.019 7.677 1.00 0.00 H new ATOM 0 HB VAL B 95 13.572 12.092 5.509 1.00 0.00 H new ATOM 0 HG11 VAL B 95 12.957 13.922 3.970 1.00 0.00 H new ATOM 0 HG12 VAL B 95 11.828 13.750 5.335 1.00 0.00 H new ATOM 0 HG13 VAL B 95 13.027 15.065 5.333 1.00 0.00 H new ATOM 0 HG21 VAL B 95 15.278 13.388 4.183 1.00 0.00 H new ATOM 0 HG22 VAL B 95 15.530 14.442 5.595 1.00 0.00 H new ATOM 0 HG23 VAL B 95 15.956 12.717 5.686 1.00 0.00 H new ATOM 1719 N ASN B 96 12.234 14.758 8.444 1.00 0.00 N ATOM 1720 CA ASN B 96 11.904 15.951 9.231 1.00 0.00 C ATOM 1721 C ASN B 96 12.505 15.899 10.637 1.00 0.00 C ATOM 1722 O ASN B 96 13.164 16.846 11.066 1.00 0.00 O ATOM 1723 CB ASN B 96 10.392 16.136 9.354 1.00 0.00 C ATOM 1724 CG ASN B 96 9.733 16.121 7.995 1.00 0.00 C ATOM 1725 OD1 ASN B 96 9.739 17.114 7.276 1.00 0.00 O ATOM 1726 ND2 ASN B 96 9.195 14.976 7.641 1.00 0.00 N ATOM 0 H ASN B 96 11.468 14.088 8.374 1.00 0.00 H new ATOM 0 HA ASN B 96 12.336 16.795 8.693 1.00 0.00 H new ATOM 0 HB2 ASN B 96 9.974 15.343 9.974 1.00 0.00 H new ATOM 0 HB3 ASN B 96 10.177 17.079 9.856 1.00 0.00 H new ATOM 0 HD21 ASN B 96 8.753 14.881 6.727 1.00 0.00 H new ATOM 0 HD22 ASN B 96 9.219 14.182 8.281 1.00 0.00 H new ATOM 1733 N GLN B 97 12.242 14.798 11.346 1.00 0.00 N ATOM 1734 CA GLN B 97 12.510 14.654 12.777 1.00 0.00 C ATOM 1735 C GLN B 97 13.993 14.825 13.137 1.00 0.00 C ATOM 1736 O GLN B 97 14.311 15.257 14.241 1.00 0.00 O ATOM 1737 CB GLN B 97 11.969 13.308 13.292 1.00 0.00 C ATOM 1738 CG GLN B 97 10.600 12.860 12.741 1.00 0.00 C ATOM 1739 CD GLN B 97 9.473 13.887 12.822 1.00 0.00 C ATOM 1740 OE1 GLN B 97 9.605 14.972 13.375 1.00 0.00 O ATOM 1741 NE2 GLN B 97 8.331 13.564 12.253 1.00 0.00 N ATOM 0 H GLN B 97 11.827 13.964 10.930 1.00 0.00 H new ATOM 0 HA GLN B 97 11.983 15.466 13.277 1.00 0.00 H new ATOM 0 HB2 GLN B 97 12.700 12.534 13.058 1.00 0.00 H new ATOM 0 HB3 GLN B 97 11.898 13.362 14.378 1.00 0.00 H new ATOM 0 HG2 GLN B 97 10.728 12.573 11.697 1.00 0.00 H new ATOM 0 HG3 GLN B 97 10.289 11.966 13.282 1.00 0.00 H new ATOM 0 HE21 GLN B 97 8.228 12.659 11.794 1.00 0.00 H new ATOM 0 HE22 GLN B 97 7.549 14.219 12.271 1.00 0.00 H new ATOM 1750 N ARG B 98 14.886 14.497 12.198 1.00 0.00 N ATOM 1751 CA ARG B 98 16.342 14.628 12.290 1.00 0.00 C ATOM 1752 C ARG B 98 17.002 13.887 13.467 1.00 0.00 C ATOM 1753 O ARG B 98 16.924 14.297 14.620 1.00 0.00 O ATOM 1754 CB ARG B 98 16.840 16.075 12.077 1.00 0.00 C ATOM 1755 CG ARG B 98 16.326 17.237 12.953 1.00 0.00 C ATOM 1756 CD ARG B 98 16.772 17.275 14.425 1.00 0.00 C ATOM 1757 NE ARG B 98 18.239 17.120 14.586 1.00 0.00 N ATOM 1758 CZ ARG B 98 18.907 16.408 15.497 1.00 0.00 C ATOM 1759 NH1 ARG B 98 18.307 15.631 16.374 1.00 0.00 N ATOM 1760 NH2 ARG B 98 20.220 16.449 15.536 1.00 0.00 N ATOM 0 H ARG B 98 14.594 14.110 11.301 1.00 0.00 H new ATOM 0 HA ARG B 98 16.713 14.070 11.430 1.00 0.00 H new ATOM 0 HB2 ARG B 98 17.925 16.056 12.179 1.00 0.00 H new ATOM 0 HB3 ARG B 98 16.622 16.337 11.042 1.00 0.00 H new ATOM 0 HG2 ARG B 98 16.635 18.172 12.485 1.00 0.00 H new ATOM 0 HG3 ARG B 98 15.236 17.215 12.933 1.00 0.00 H new ATOM 0 HD2 ARG B 98 16.460 18.220 14.870 1.00 0.00 H new ATOM 0 HD3 ARG B 98 16.265 16.481 14.974 1.00 0.00 H new ATOM 0 HE ARG B 98 18.814 17.624 13.911 1.00 0.00 H new ATOM 0 HH11 ARG B 98 17.290 15.554 16.376 1.00 0.00 H new ATOM 0 HH12 ARG B 98 18.859 15.105 17.052 1.00 0.00 H new ATOM 0 HH21 ARG B 98 20.732 17.026 14.869 1.00 0.00 H new ATOM 0 HH22 ARG B 98 20.727 15.904 16.233 1.00 0.00 H new ATOM 1774 N LEU B 99 17.707 12.793 13.179 1.00 0.00 N ATOM 1775 CA LEU B 99 18.480 12.047 14.173 1.00 0.00 C ATOM 1776 C LEU B 99 19.994 12.245 13.996 1.00 0.00 C ATOM 1777 O LEU B 99 20.458 12.919 13.075 1.00 0.00 O ATOM 1778 CB LEU B 99 18.026 10.583 14.181 1.00 0.00 C ATOM 1779 CG LEU B 99 16.508 10.481 14.420 1.00 0.00 C ATOM 1780 CD1 LEU B 99 16.083 9.021 14.344 1.00 0.00 C ATOM 1781 CD2 LEU B 99 16.077 11.024 15.789 1.00 0.00 C ATOM 0 H LEU B 99 17.758 12.396 12.241 1.00 0.00 H new ATOM 0 HA LEU B 99 18.278 12.446 15.167 1.00 0.00 H new ATOM 0 HB2 LEU B 99 18.281 10.114 13.231 1.00 0.00 H new ATOM 0 HB3 LEU B 99 18.559 10.037 14.960 1.00 0.00 H new ATOM 0 HG LEU B 99 16.030 11.086 13.649 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.009 8.945 14.513 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.324 8.623 13.359 1.00 0.00 H new ATOM 0 HD13 LEU B 99 16.611 8.448 15.106 1.00 0.00 H new ATOM 0 HD21 LEU B 99 14.997 10.924 15.896 1.00 0.00 H new ATOM 0 HD22 LEU B 99 16.574 10.459 16.577 1.00 0.00 H new ATOM 0 HD23 LEU B 99 16.353 12.075 15.867 1.00 0.00 H new ATOM 1793 N GLN B 100 20.767 11.742 14.958 1.00 0.00 N ATOM 1794 CA GLN B 100 22.128 12.201 15.220 1.00 0.00 C ATOM 1795 C GLN B 100 23.146 11.722 14.176 1.00 0.00 C ATOM 1796 O GLN B 100 24.063 12.458 13.827 1.00 0.00 O ATOM 1797 CB GLN B 100 22.545 11.743 16.627 1.00 0.00 C ATOM 1798 CG GLN B 100 21.614 12.261 17.738 1.00 0.00 C ATOM 1799 CD GLN B 100 21.540 13.782 17.782 1.00 0.00 C ATOM 1800 OE1 GLN B 100 20.584 14.392 17.316 1.00 0.00 O ATOM 1801 NE2 GLN B 100 22.554 14.432 18.319 1.00 0.00 N ATOM 0 H GLN B 100 20.461 10.996 15.583 1.00 0.00 H new ATOM 0 HA GLN B 100 22.125 13.289 15.155 1.00 0.00 H new ATOM 0 HB2 GLN B 100 22.563 10.654 16.656 1.00 0.00 H new ATOM 0 HB3 GLN B 100 23.561 12.084 16.826 1.00 0.00 H new ATOM 0 HG2 GLN B 100 20.613 11.857 17.585 1.00 0.00 H new ATOM 0 HG3 GLN B 100 21.964 11.890 18.702 1.00 0.00 H new ATOM 0 HE21 GLN B 100 23.345 13.915 18.704 1.00 0.00 H new ATOM 0 HE22 GLN B 100 22.548 15.452 18.349 1.00 0.00 H new ATOM 1810 N SER B 101 23.001 10.478 13.731 1.00 0.00 N ATOM 1811 CA SER B 101 24.014 9.733 12.985 1.00 0.00 C ATOM 1812 C SER B 101 23.405 8.420 12.456 1.00 0.00 C ATOM 1813 O SER B 101 22.202 8.182 12.601 1.00 0.00 O ATOM 1814 CB SER B 101 25.249 9.591 13.898 1.00 0.00 C ATOM 1815 OG SER B 101 26.198 8.612 13.517 1.00 0.00 O ATOM 0 H SER B 101 22.147 9.941 13.884 1.00 0.00 H new ATOM 0 HA SER B 101 24.354 10.248 12.086 1.00 0.00 H new ATOM 0 HB2 SER B 101 25.753 10.556 13.946 1.00 0.00 H new ATOM 0 HB3 SER B 101 24.905 9.361 14.906 1.00 0.00 H new ATOM 0 HG SER B 101 26.547 8.824 12.626 1.00 0.00 H new ATOM 1821 N GLU B 102 24.209 7.615 11.774 1.00 0.00 N ATOM 1822 CA GLU B 102 23.773 6.582 10.849 1.00 0.00 C ATOM 1823 C GLU B 102 22.995 5.466 11.558 1.00 0.00 C ATOM 1824 O GLU B 102 21.858 5.146 11.208 1.00 0.00 O ATOM 1825 CB GLU B 102 24.998 6.072 10.072 1.00 0.00 C ATOM 1826 CG GLU B 102 25.638 7.168 9.189 1.00 0.00 C ATOM 1827 CD GLU B 102 26.388 8.269 9.933 1.00 0.00 C ATOM 1828 OE1 GLU B 102 26.831 7.991 11.069 1.00 0.00 O ATOM 1829 OE2 GLU B 102 26.423 9.401 9.419 1.00 0.00 O ATOM 0 H GLU B 102 25.224 7.668 11.855 1.00 0.00 H new ATOM 0 HA GLU B 102 23.064 7.001 10.135 1.00 0.00 H new ATOM 0 HB2 GLU B 102 25.741 5.698 10.776 1.00 0.00 H new ATOM 0 HB3 GLU B 102 24.702 5.231 9.444 1.00 0.00 H new ATOM 0 HG2 GLU B 102 26.329 6.690 8.494 1.00 0.00 H new ATOM 0 HG3 GLU B 102 24.853 7.630 8.591 1.00 0.00 H new ATOM 1836 N GLN B 103 23.567 4.911 12.628 1.00 0.00 N ATOM 1837 CA GLN B 103 22.836 3.908 13.396 1.00 0.00 C ATOM 1838 C GLN B 103 21.504 4.456 13.935 1.00 0.00 C ATOM 1839 O GLN B 103 20.520 3.739 14.047 1.00 0.00 O ATOM 1840 CB GLN B 103 23.653 3.287 14.534 1.00 0.00 C ATOM 1841 CG GLN B 103 23.182 1.826 14.683 1.00 0.00 C ATOM 1842 CD GLN B 103 23.410 1.246 16.068 1.00 0.00 C ATOM 1843 OE1 GLN B 103 24.520 0.906 16.442 1.00 0.00 O ATOM 1844 NE2 GLN B 103 22.357 1.083 16.850 1.00 0.00 N ATOM 0 H GLN B 103 24.502 5.130 12.972 1.00 0.00 H new ATOM 0 HA GLN B 103 22.626 3.108 12.686 1.00 0.00 H new ATOM 0 HB2 GLN B 103 24.719 3.327 14.310 1.00 0.00 H new ATOM 0 HB3 GLN B 103 23.501 3.838 15.462 1.00 0.00 H new ATOM 0 HG2 GLN B 103 22.119 1.771 14.447 1.00 0.00 H new ATOM 0 HG3 GLN B 103 23.704 1.210 13.951 1.00 0.00 H new ATOM 0 HE21 GLN B 103 21.433 1.371 16.528 1.00 0.00 H new ATOM 0 HE22 GLN B 103 22.468 0.670 17.776 1.00 0.00 H new ATOM 1853 N GLU B 104 21.462 5.731 14.284 1.00 0.00 N ATOM 1854 CA GLU B 104 20.337 6.372 14.924 1.00 0.00 C ATOM 1855 C GLU B 104 19.181 6.568 13.928 1.00 0.00 C ATOM 1856 O GLU B 104 18.029 6.282 14.263 1.00 0.00 O ATOM 1857 CB GLU B 104 20.841 7.637 15.634 1.00 0.00 C ATOM 1858 CG GLU B 104 21.944 7.295 16.672 1.00 0.00 C ATOM 1859 CD GLU B 104 23.391 7.334 16.185 1.00 0.00 C ATOM 1860 OE1 GLU B 104 23.690 6.836 15.079 1.00 0.00 O ATOM 1861 OE2 GLU B 104 24.271 7.809 16.932 1.00 0.00 O ATOM 0 H GLU B 104 22.242 6.367 14.121 1.00 0.00 H new ATOM 0 HA GLU B 104 19.898 5.745 15.700 1.00 0.00 H new ATOM 0 HB2 GLU B 104 21.235 8.338 14.898 1.00 0.00 H new ATOM 0 HB3 GLU B 104 20.009 8.133 16.133 1.00 0.00 H new ATOM 0 HG2 GLU B 104 21.849 7.988 17.508 1.00 0.00 H new ATOM 0 HG3 GLU B 104 21.745 6.297 17.062 1.00 0.00 H new ATOM 1868 N VAL B 105 19.474 6.947 12.677 1.00 0.00 N ATOM 1869 CA VAL B 105 18.441 6.860 11.638 1.00 0.00 C ATOM 1870 C VAL B 105 18.043 5.407 11.361 1.00 0.00 C ATOM 1871 O VAL B 105 16.850 5.118 11.348 1.00 0.00 O ATOM 1872 CB VAL B 105 18.743 7.643 10.348 1.00 0.00 C ATOM 1873 CG1 VAL B 105 18.751 9.156 10.596 1.00 0.00 C ATOM 1874 CG2 VAL B 105 20.064 7.252 9.698 1.00 0.00 C ATOM 0 H VAL B 105 20.379 7.303 12.368 1.00 0.00 H new ATOM 0 HA VAL B 105 17.576 7.374 12.058 1.00 0.00 H new ATOM 0 HB VAL B 105 17.936 7.379 9.664 1.00 0.00 H new ATOM 0 HG11 VAL B 105 18.968 9.676 9.663 1.00 0.00 H new ATOM 0 HG12 VAL B 105 17.775 9.469 10.968 1.00 0.00 H new ATOM 0 HG13 VAL B 105 19.516 9.400 11.333 1.00 0.00 H new ATOM 0 HG21 VAL B 105 20.214 7.842 8.794 1.00 0.00 H new ATOM 0 HG22 VAL B 105 20.882 7.440 10.394 1.00 0.00 H new ATOM 0 HG23 VAL B 105 20.043 6.193 9.440 1.00 0.00 H new ATOM 1884 N LEU B 106 18.984 4.467 11.189 1.00 0.00 N ATOM 1885 CA LEU B 106 18.567 3.094 10.885 1.00 0.00 C ATOM 1886 C LEU B 106 17.761 2.460 12.028 1.00 0.00 C ATOM 1887 O LEU B 106 16.822 1.719 11.768 1.00 0.00 O ATOM 1888 CB LEU B 106 19.706 2.224 10.326 1.00 0.00 C ATOM 1889 CG LEU B 106 20.631 1.587 11.363 1.00 0.00 C ATOM 1890 CD1 LEU B 106 20.119 0.247 11.912 1.00 0.00 C ATOM 1891 CD2 LEU B 106 21.995 1.335 10.714 1.00 0.00 C ATOM 0 H LEU B 106 19.990 4.621 11.251 1.00 0.00 H new ATOM 0 HA LEU B 106 17.862 3.154 10.056 1.00 0.00 H new ATOM 0 HB2 LEU B 106 19.267 1.430 9.722 1.00 0.00 H new ATOM 0 HB3 LEU B 106 20.310 2.837 9.657 1.00 0.00 H new ATOM 0 HG LEU B 106 20.685 2.284 12.200 1.00 0.00 H new ATOM 0 HD11 LEU B 106 20.829 -0.142 12.642 1.00 0.00 H new ATOM 0 HD12 LEU B 106 19.151 0.396 12.391 1.00 0.00 H new ATOM 0 HD13 LEU B 106 20.013 -0.465 11.093 1.00 0.00 H new ATOM 0 HD21 LEU B 106 22.666 0.880 11.443 1.00 0.00 H new ATOM 0 HD22 LEU B 106 21.875 0.664 9.863 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.416 2.281 10.373 1.00 0.00 H new ATOM 1903 N ASN B 107 18.067 2.778 13.292 1.00 0.00 N ATOM 1904 CA ASN B 107 17.253 2.399 14.451 1.00 0.00 C ATOM 1905 C ASN B 107 15.796 2.859 14.259 1.00 0.00 C ATOM 1906 O ASN B 107 14.864 2.051 14.282 1.00 0.00 O ATOM 1907 CB ASN B 107 17.811 3.023 15.746 1.00 0.00 C ATOM 1908 CG ASN B 107 19.176 2.517 16.205 1.00 0.00 C ATOM 1909 OD1 ASN B 107 19.620 1.420 15.881 1.00 0.00 O ATOM 1910 ND2 ASN B 107 19.867 3.314 17.007 1.00 0.00 N ATOM 0 H ASN B 107 18.899 3.313 13.541 1.00 0.00 H new ATOM 0 HA ASN B 107 17.286 1.313 14.536 1.00 0.00 H new ATOM 0 HB2 ASN B 107 17.875 4.102 15.606 1.00 0.00 H new ATOM 0 HB3 ASN B 107 17.093 2.848 16.548 1.00 0.00 H new ATOM 0 HD21 ASN B 107 20.777 3.017 17.361 1.00 0.00 H new ATOM 0 HD22 ASN B 107 19.489 4.224 17.271 1.00 0.00 H new ATOM 1917 N TYR B 108 15.600 4.164 14.064 1.00 0.00 N ATOM 1918 CA TYR B 108 14.277 4.750 13.857 1.00 0.00 C ATOM 1919 C TYR B 108 13.555 4.145 12.646 1.00 0.00 C ATOM 1920 O TYR B 108 12.444 3.634 12.766 1.00 0.00 O ATOM 1921 CB TYR B 108 14.434 6.261 13.717 1.00 0.00 C ATOM 1922 CG TYR B 108 13.123 7.018 13.653 1.00 0.00 C ATOM 1923 CD1 TYR B 108 12.474 7.222 12.420 1.00 0.00 C ATOM 1924 CD2 TYR B 108 12.585 7.575 14.826 1.00 0.00 C ATOM 1925 CE1 TYR B 108 11.339 8.051 12.354 1.00 0.00 C ATOM 1926 CE2 TYR B 108 11.445 8.390 14.754 1.00 0.00 C ATOM 1927 CZ TYR B 108 10.829 8.636 13.521 1.00 0.00 C ATOM 1928 OH TYR B 108 9.711 9.401 13.507 1.00 0.00 O ATOM 0 H TYR B 108 16.358 4.846 14.045 1.00 0.00 H new ATOM 0 HA TYR B 108 13.650 4.522 14.719 1.00 0.00 H new ATOM 0 HB2 TYR B 108 15.015 6.634 14.560 1.00 0.00 H new ATOM 0 HB3 TYR B 108 15.008 6.473 12.815 1.00 0.00 H new ATOM 0 HD1 TYR B 108 12.847 6.743 11.527 1.00 0.00 H new ATOM 0 HD2 TYR B 108 13.048 7.376 15.781 1.00 0.00 H new ATOM 0 HE1 TYR B 108 10.861 8.237 11.404 1.00 0.00 H new ATOM 0 HE2 TYR B 108 11.041 8.830 15.654 1.00 0.00 H new ATOM 0 HH TYR B 108 9.063 9.021 12.878 1.00 0.00 H new ATOM 1938 N ILE B 109 14.198 4.162 11.479 1.00 0.00 N ATOM 1939 CA ILE B 109 13.674 3.555 10.261 1.00 0.00 C ATOM 1940 C ILE B 109 13.251 2.104 10.503 1.00 0.00 C ATOM 1941 O ILE B 109 12.115 1.742 10.234 1.00 0.00 O ATOM 1942 CB ILE B 109 14.713 3.638 9.131 1.00 0.00 C ATOM 1943 CG1 ILE B 109 14.933 5.091 8.693 1.00 0.00 C ATOM 1944 CG2 ILE B 109 14.257 2.783 7.945 1.00 0.00 C ATOM 1945 CD1 ILE B 109 16.096 5.192 7.704 1.00 0.00 C ATOM 0 H ILE B 109 15.109 4.604 11.354 1.00 0.00 H new ATOM 0 HA ILE B 109 12.788 4.113 9.959 1.00 0.00 H new ATOM 0 HB ILE B 109 15.663 3.254 9.503 1.00 0.00 H new ATOM 0 HG12 ILE B 109 14.024 5.478 8.233 1.00 0.00 H new ATOM 0 HG13 ILE B 109 15.137 5.711 9.566 1.00 0.00 H new ATOM 0 HG21 ILE B 109 14.996 2.845 7.146 1.00 0.00 H new ATOM 0 HG22 ILE B 109 14.152 1.746 8.263 1.00 0.00 H new ATOM 0 HG23 ILE B 109 13.297 3.149 7.580 1.00 0.00 H new ATOM 0 HD11 ILE B 109 16.233 6.232 7.408 1.00 0.00 H new ATOM 0 HD12 ILE B 109 17.008 4.826 8.176 1.00 0.00 H new ATOM 0 HD13 ILE B 109 15.877 4.590 6.822 1.00 0.00 H new ATOM 1957 N GLU B 110 14.135 1.259 11.030 1.00 0.00 N ATOM 1958 CA GLU B 110 13.813 -0.119 11.382 1.00 0.00 C ATOM 1959 C GLU B 110 12.609 -0.220 12.345 1.00 0.00 C ATOM 1960 O GLU B 110 11.782 -1.128 12.205 1.00 0.00 O ATOM 1961 CB GLU B 110 15.082 -0.797 11.909 1.00 0.00 C ATOM 1962 CG GLU B 110 16.060 -1.089 10.752 1.00 0.00 C ATOM 1963 CD GLU B 110 15.822 -2.444 10.126 1.00 0.00 C ATOM 1964 OE1 GLU B 110 15.995 -3.442 10.857 1.00 0.00 O ATOM 1965 OE2 GLU B 110 15.533 -2.513 8.917 1.00 0.00 O ATOM 0 H GLU B 110 15.103 1.515 11.226 1.00 0.00 H new ATOM 0 HA GLU B 110 13.482 -0.655 10.492 1.00 0.00 H new ATOM 0 HB2 GLU B 110 15.564 -0.156 12.647 1.00 0.00 H new ATOM 0 HB3 GLU B 110 14.821 -1.726 12.416 1.00 0.00 H new ATOM 0 HG2 GLU B 110 15.958 -0.316 9.990 1.00 0.00 H new ATOM 0 HG3 GLU B 110 17.084 -1.038 11.123 1.00 0.00 H new ATOM 1972 N THR B 111 12.468 0.715 13.288 1.00 0.00 N ATOM 1973 CA THR B 111 11.280 0.822 14.143 1.00 0.00 C ATOM 1974 C THR B 111 10.004 1.135 13.339 1.00 0.00 C ATOM 1975 O THR B 111 9.083 0.320 13.312 1.00 0.00 O ATOM 1976 CB THR B 111 11.505 1.826 15.287 1.00 0.00 C ATOM 1977 OG1 THR B 111 12.674 1.464 15.991 1.00 0.00 O ATOM 1978 CG2 THR B 111 10.353 1.800 16.291 1.00 0.00 C ATOM 0 H THR B 111 13.177 1.423 13.482 1.00 0.00 H new ATOM 0 HA THR B 111 11.121 -0.157 14.595 1.00 0.00 H new ATOM 0 HB THR B 111 11.582 2.819 14.845 1.00 0.00 H new ATOM 0 HG1 THR B 111 13.461 1.663 15.442 1.00 0.00 H new ATOM 0 HG21 THR B 111 10.546 2.521 17.085 1.00 0.00 H new ATOM 0 HG22 THR B 111 9.423 2.058 15.784 1.00 0.00 H new ATOM 0 HG23 THR B 111 10.267 0.802 16.721 1.00 0.00 H new ATOM 1986 N GLN B 112 9.951 2.257 12.619 1.00 0.00 N ATOM 1987 CA GLN B 112 8.794 2.643 11.805 1.00 0.00 C ATOM 1988 C GLN B 112 8.465 1.591 10.717 1.00 0.00 C ATOM 1989 O GLN B 112 7.315 1.297 10.407 1.00 0.00 O ATOM 1990 CB GLN B 112 9.059 4.033 11.204 1.00 0.00 C ATOM 1991 CG GLN B 112 9.331 5.159 12.213 1.00 0.00 C ATOM 1992 CD GLN B 112 8.096 5.537 13.007 1.00 0.00 C ATOM 1993 OE1 GLN B 112 7.660 4.801 13.883 1.00 0.00 O ATOM 1994 NE2 GLN B 112 7.498 6.672 12.712 1.00 0.00 N ATOM 0 H GLN B 112 10.716 2.930 12.583 1.00 0.00 H new ATOM 0 HA GLN B 112 7.910 2.688 12.441 1.00 0.00 H new ATOM 0 HB2 GLN B 112 9.914 3.960 10.531 1.00 0.00 H new ATOM 0 HB3 GLN B 112 8.199 4.315 10.597 1.00 0.00 H new ATOM 0 HG2 GLN B 112 10.118 4.846 12.899 1.00 0.00 H new ATOM 0 HG3 GLN B 112 9.701 6.036 11.683 1.00 0.00 H new ATOM 0 HE21 GLN B 112 7.876 7.272 11.979 1.00 0.00 H new ATOM 0 HE22 GLN B 112 6.657 6.951 13.216 1.00 0.00 H new ATOM 2003 N ARG B 113 9.493 0.952 10.165 1.00 0.00 N ATOM 2004 CA ARG B 113 9.416 -0.203 9.274 1.00 0.00 C ATOM 2005 C ARG B 113 8.796 -1.423 9.984 1.00 0.00 C ATOM 2006 O ARG B 113 8.074 -2.218 9.378 1.00 0.00 O ATOM 2007 CB ARG B 113 10.843 -0.479 8.780 1.00 0.00 C ATOM 2008 CG ARG B 113 10.973 -1.622 7.774 1.00 0.00 C ATOM 2009 CD ARG B 113 12.456 -1.841 7.440 1.00 0.00 C ATOM 2010 NE ARG B 113 12.610 -2.925 6.449 1.00 0.00 N ATOM 2011 CZ ARG B 113 13.348 -4.040 6.550 1.00 0.00 C ATOM 2012 NH1 ARG B 113 14.169 -4.298 7.543 1.00 0.00 N ATOM 2013 NH2 ARG B 113 13.269 -4.964 5.621 1.00 0.00 N ATOM 0 H ARG B 113 10.456 1.242 10.337 1.00 0.00 H new ATOM 0 HA ARG B 113 8.760 0.001 8.428 1.00 0.00 H new ATOM 0 HB2 ARG B 113 11.235 0.431 8.325 1.00 0.00 H new ATOM 0 HB3 ARG B 113 11.472 -0.701 9.642 1.00 0.00 H new ATOM 0 HG2 ARG B 113 10.543 -2.535 8.186 1.00 0.00 H new ATOM 0 HG3 ARG B 113 10.415 -1.388 6.867 1.00 0.00 H new ATOM 0 HD2 ARG B 113 12.886 -0.919 7.049 1.00 0.00 H new ATOM 0 HD3 ARG B 113 13.006 -2.090 8.348 1.00 0.00 H new ATOM 0 HE ARG B 113 12.090 -2.811 5.579 1.00 0.00 H new ATOM 0 HH11 ARG B 113 14.276 -3.627 8.304 1.00 0.00 H new ATOM 0 HH12 ARG B 113 14.699 -5.169 7.553 1.00 0.00 H new ATOM 0 HH21 ARG B 113 12.647 -4.833 4.823 1.00 0.00 H new ATOM 0 HH22 ARG B 113 13.830 -5.813 5.697 1.00 0.00 H new ATOM 2027 N THR B 114 9.090 -1.607 11.272 1.00 0.00 N ATOM 2028 CA THR B 114 8.453 -2.621 12.115 1.00 0.00 C ATOM 2029 C THR B 114 6.983 -2.323 12.416 1.00 0.00 C ATOM 2030 O THR B 114 6.156 -3.229 12.276 1.00 0.00 O ATOM 2031 CB THR B 114 9.315 -2.946 13.337 1.00 0.00 C ATOM 2032 OG1 THR B 114 10.507 -3.517 12.826 1.00 0.00 O ATOM 2033 CG2 THR B 114 8.658 -3.970 14.263 1.00 0.00 C ATOM 0 H THR B 114 9.786 -1.049 11.766 1.00 0.00 H new ATOM 0 HA THR B 114 8.402 -3.546 11.540 1.00 0.00 H new ATOM 0 HB THR B 114 9.475 -2.039 13.920 1.00 0.00 H new ATOM 0 HG1 THR B 114 11.108 -2.804 12.524 1.00 0.00 H new ATOM 0 HG21 THR B 114 9.312 -4.164 15.113 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.705 -3.579 14.620 1.00 0.00 H new ATOM 0 HG23 THR B 114 8.488 -4.898 13.717 1.00 0.00 H new ATOM 2041 N TYR B 115 6.633 -1.069 12.707 1.00 0.00 N ATOM 2042 CA TYR B 115 5.244 -0.624 12.590 1.00 0.00 C ATOM 2043 C TYR B 115 4.648 -1.052 11.240 1.00 0.00 C ATOM 2044 O TYR B 115 3.671 -1.795 11.209 1.00 0.00 O ATOM 2045 CB TYR B 115 5.122 0.890 12.836 1.00 0.00 C ATOM 2046 CG TYR B 115 3.836 1.506 12.307 1.00 0.00 C ATOM 2047 CD1 TYR B 115 2.623 1.242 12.965 1.00 0.00 C ATOM 2048 CD2 TYR B 115 3.827 2.229 11.094 1.00 0.00 C ATOM 2049 CE1 TYR B 115 1.411 1.666 12.398 1.00 0.00 C ATOM 2050 CE2 TYR B 115 2.607 2.654 10.533 1.00 0.00 C ATOM 2051 CZ TYR B 115 1.398 2.357 11.177 1.00 0.00 C ATOM 2052 OH TYR B 115 0.209 2.573 10.569 1.00 0.00 O ATOM 0 H TYR B 115 7.285 -0.350 13.022 1.00 0.00 H new ATOM 0 HA TYR B 115 4.657 -1.113 13.368 1.00 0.00 H new ATOM 0 HB2 TYR B 115 5.188 1.079 13.907 1.00 0.00 H new ATOM 0 HB3 TYR B 115 5.970 1.392 12.371 1.00 0.00 H new ATOM 0 HD1 TYR B 115 2.623 0.713 13.907 1.00 0.00 H new ATOM 0 HD2 TYR B 115 4.758 2.457 10.595 1.00 0.00 H new ATOM 0 HE1 TYR B 115 0.481 1.459 12.906 1.00 0.00 H new ATOM 0 HE2 TYR B 115 2.603 3.209 9.606 1.00 0.00 H new ATOM 0 HH TYR B 115 -0.438 1.899 10.866 1.00 0.00 H new ATOM 2062 N TRP B 116 5.269 -0.681 10.120 1.00 0.00 N ATOM 2063 CA TRP B 116 4.741 -1.073 8.819 1.00 0.00 C ATOM 2064 C TRP B 116 4.525 -2.586 8.638 1.00 0.00 C ATOM 2065 O TRP B 116 3.477 -2.980 8.128 1.00 0.00 O ATOM 2066 CB TRP B 116 5.502 -0.414 7.664 1.00 0.00 C ATOM 2067 CG TRP B 116 5.148 1.017 7.383 1.00 0.00 C ATOM 2068 CD1 TRP B 116 6.031 2.009 7.130 1.00 0.00 C ATOM 2069 CD2 TRP B 116 3.821 1.616 7.219 1.00 0.00 C ATOM 2070 NE1 TRP B 116 5.358 3.173 6.830 1.00 0.00 N ATOM 2071 CE2 TRP B 116 3.994 2.985 6.850 1.00 0.00 C ATOM 2072 CE3 TRP B 116 2.490 1.140 7.291 1.00 0.00 C ATOM 2073 CZ2 TRP B 116 2.915 3.828 6.566 1.00 0.00 C ATOM 2074 CZ3 TRP B 116 1.401 1.992 7.047 1.00 0.00 C ATOM 2075 CH2 TRP B 116 1.610 3.319 6.651 1.00 0.00 C ATOM 0 H TRP B 116 6.121 -0.121 10.089 1.00 0.00 H new ATOM 0 HA TRP B 116 3.728 -0.672 8.789 1.00 0.00 H new ATOM 0 HB2 TRP B 116 6.569 -0.470 7.878 1.00 0.00 H new ATOM 0 HB3 TRP B 116 5.328 -0.996 6.759 1.00 0.00 H new ATOM 0 HD1 TRP B 116 7.106 1.904 7.159 1.00 0.00 H new ATOM 0 HE1 TRP B 116 5.813 4.062 6.620 1.00 0.00 H new ATOM 0 HE3 TRP B 116 2.309 0.104 7.538 1.00 0.00 H new ATOM 0 HZ2 TRP B 116 3.084 4.857 6.285 1.00 0.00 H new ATOM 0 HZ3 TRP B 116 0.394 1.621 7.166 1.00 0.00 H new ATOM 0 HH2 TRP B 116 0.767 3.950 6.411 1.00 0.00 H new ATOM 2086 N LYS B 117 5.426 -3.476 9.077 1.00 0.00 N ATOM 2087 CA LYS B 117 5.063 -4.903 9.033 1.00 0.00 C ATOM 2088 C LYS B 117 3.845 -5.258 9.911 1.00 0.00 C ATOM 2089 O LYS B 117 2.911 -5.885 9.406 1.00 0.00 O ATOM 2090 CB LYS B 117 6.226 -5.901 9.215 1.00 0.00 C ATOM 2091 CG LYS B 117 7.329 -5.556 10.220 1.00 0.00 C ATOM 2092 CD LYS B 117 8.339 -6.718 10.256 1.00 0.00 C ATOM 2093 CE LYS B 117 9.526 -6.551 11.223 1.00 0.00 C ATOM 2094 NZ LYS B 117 10.403 -5.400 10.902 1.00 0.00 N ATOM 0 H LYS B 117 6.352 -3.258 9.444 1.00 0.00 H new ATOM 0 HA LYS B 117 4.758 -5.036 7.995 1.00 0.00 H new ATOM 0 HB2 LYS B 117 5.798 -6.860 9.507 1.00 0.00 H new ATOM 0 HB3 LYS B 117 6.696 -6.045 8.242 1.00 0.00 H new ATOM 0 HG2 LYS B 117 7.827 -4.630 9.933 1.00 0.00 H new ATOM 0 HG3 LYS B 117 6.902 -5.394 11.210 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.804 -7.630 10.523 1.00 0.00 H new ATOM 0 HD3 LYS B 117 8.733 -6.862 9.250 1.00 0.00 H new ATOM 0 HE2 LYS B 117 9.143 -6.432 12.236 1.00 0.00 H new ATOM 0 HE3 LYS B 117 10.122 -7.464 11.213 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 11.397 -5.670 11.046 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 10.260 -5.121 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 10.168 -4.600 11.524 1.00 0.00 H new ATOM 2108 N LEU B 118 3.817 -4.886 11.198 1.00 0.00 N ATOM 2109 CA LEU B 118 2.700 -5.302 12.058 1.00 0.00 C ATOM 2110 C LEU B 118 1.359 -4.676 11.624 1.00 0.00 C ATOM 2111 O LEU B 118 0.295 -5.293 11.723 1.00 0.00 O ATOM 2112 CB LEU B 118 3.037 -5.137 13.547 1.00 0.00 C ATOM 2113 CG LEU B 118 3.006 -3.697 14.071 1.00 0.00 C ATOM 2114 CD1 LEU B 118 1.625 -3.289 14.603 1.00 0.00 C ATOM 2115 CD2 LEU B 118 4.024 -3.562 15.208 1.00 0.00 C ATOM 0 H LEU B 118 4.529 -4.317 11.655 1.00 0.00 H new ATOM 0 HA LEU B 118 2.552 -6.373 11.919 1.00 0.00 H new ATOM 0 HB2 LEU B 118 2.335 -5.733 14.130 1.00 0.00 H new ATOM 0 HB3 LEU B 118 4.030 -5.550 13.726 1.00 0.00 H new ATOM 0 HG LEU B 118 3.247 -3.041 13.234 1.00 0.00 H new ATOM 0 HD11 LEU B 118 1.662 -2.260 14.961 1.00 0.00 H new ATOM 0 HD12 LEU B 118 0.889 -3.369 13.803 1.00 0.00 H new ATOM 0 HD13 LEU B 118 1.342 -3.948 15.423 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.011 -2.541 15.589 1.00 0.00 H new ATOM 0 HD22 LEU B 118 3.766 -4.252 16.011 1.00 0.00 H new ATOM 0 HD23 LEU B 118 5.021 -3.797 14.834 1.00 0.00 H new ATOM 2127 N GLU B 119 1.415 -3.470 11.060 1.00 0.00 N ATOM 2128 CA GLU B 119 0.315 -2.812 10.368 1.00 0.00 C ATOM 2129 C GLU B 119 -0.124 -3.606 9.123 1.00 0.00 C ATOM 2130 O GLU B 119 -1.277 -4.018 8.992 1.00 0.00 O ATOM 2131 CB GLU B 119 0.773 -1.387 10.033 1.00 0.00 C ATOM 2132 CG GLU B 119 -0.345 -0.528 9.427 1.00 0.00 C ATOM 2133 CD GLU B 119 -1.498 -0.291 10.375 1.00 0.00 C ATOM 2134 OE1 GLU B 119 -1.323 0.403 11.398 1.00 0.00 O ATOM 2135 OE2 GLU B 119 -2.575 -0.870 10.131 1.00 0.00 O ATOM 0 H GLU B 119 2.264 -2.905 11.075 1.00 0.00 H new ATOM 0 HA GLU B 119 -0.570 -2.768 11.003 1.00 0.00 H new ATOM 0 HB2 GLU B 119 1.143 -0.907 10.939 1.00 0.00 H new ATOM 0 HB3 GLU B 119 1.608 -1.434 9.334 1.00 0.00 H new ATOM 0 HG2 GLU B 119 0.069 0.433 9.123 1.00 0.00 H new ATOM 0 HG3 GLU B 119 -0.719 -1.014 8.526 1.00 0.00 H new ATOM 2142 N ASN B 120 0.809 -3.919 8.220 1.00 0.00 N ATOM 2143 CA ASN B 120 0.531 -4.642 6.975 1.00 0.00 C ATOM 2144 C ASN B 120 0.187 -6.130 7.158 1.00 0.00 C ATOM 2145 O ASN B 120 -0.192 -6.818 6.199 1.00 0.00 O ATOM 2146 CB ASN B 120 1.631 -4.384 5.948 1.00 0.00 C ATOM 2147 CG ASN B 120 1.571 -2.932 5.494 1.00 0.00 C ATOM 2148 OD1 ASN B 120 0.528 -2.452 5.070 1.00 0.00 O ATOM 2149 ND2 ASN B 120 2.667 -2.218 5.583 1.00 0.00 N ATOM 0 H ASN B 120 1.793 -3.674 8.334 1.00 0.00 H new ATOM 0 HA ASN B 120 -0.396 -4.230 6.576 1.00 0.00 H new ATOM 0 HB2 ASN B 120 2.607 -4.600 6.383 1.00 0.00 H new ATOM 0 HB3 ASN B 120 1.508 -5.049 5.093 1.00 0.00 H new ATOM 0 HD21 ASN B 120 2.663 -1.239 5.296 1.00 0.00 H new ATOM 0 HD22 ASN B 120 3.524 -2.641 5.940 1.00 0.00 H new ATOM 2156 N GLN B 121 0.259 -6.602 8.400 1.00 0.00 N ATOM 2157 CA GLN B 121 -0.329 -7.839 8.914 1.00 0.00 C ATOM 2158 C GLN B 121 -1.859 -7.740 9.126 1.00 0.00 C ATOM 2159 O GLN B 121 -2.577 -8.691 8.843 1.00 0.00 O ATOM 2160 CB GLN B 121 0.447 -8.219 10.192 1.00 0.00 C ATOM 2161 CG GLN B 121 -0.379 -8.792 11.355 1.00 0.00 C ATOM 2162 CD GLN B 121 0.437 -8.843 12.640 1.00 0.00 C ATOM 2163 OE1 GLN B 121 0.887 -9.892 13.067 1.00 0.00 O ATOM 2164 NE2 GLN B 121 0.645 -7.701 13.275 1.00 0.00 N ATOM 0 H GLN B 121 0.765 -6.095 9.126 1.00 0.00 H new ATOM 0 HA GLN B 121 -0.229 -8.635 8.177 1.00 0.00 H new ATOM 0 HB2 GLN B 121 1.209 -8.950 9.923 1.00 0.00 H new ATOM 0 HB3 GLN B 121 0.969 -7.332 10.550 1.00 0.00 H new ATOM 0 HG2 GLN B 121 -1.267 -8.179 11.510 1.00 0.00 H new ATOM 0 HG3 GLN B 121 -0.723 -9.794 11.100 1.00 0.00 H new ATOM 0 HE21 GLN B 121 0.260 -6.833 12.902 1.00 0.00 H new ATOM 0 HE22 GLN B 121 1.190 -7.689 14.137 1.00 0.00 H new ATOM 2173 N LYS B 122 -2.382 -6.615 9.629 1.00 0.00 N ATOM 2174 CA LYS B 122 -3.773 -6.521 10.093 1.00 0.00 C ATOM 2175 C LYS B 122 -4.845 -6.903 9.036 1.00 0.00 C ATOM 2176 O LYS B 122 -4.646 -6.723 7.828 1.00 0.00 O ATOM 2177 CB LYS B 122 -4.050 -5.098 10.588 1.00 0.00 C ATOM 2178 CG LYS B 122 -3.262 -4.572 11.799 1.00 0.00 C ATOM 2179 CD LYS B 122 -3.817 -3.157 12.039 1.00 0.00 C ATOM 2180 CE LYS B 122 -2.982 -2.222 12.926 1.00 0.00 C ATOM 2181 NZ LYS B 122 -3.352 -0.814 12.645 1.00 0.00 N ATOM 0 H LYS B 122 -1.856 -5.747 9.726 1.00 0.00 H new ATOM 0 HA LYS B 122 -3.863 -7.256 10.893 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -3.870 -4.418 9.756 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -5.111 -5.033 10.830 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -3.407 -5.208 12.672 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -2.191 -4.549 11.595 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -3.949 -2.676 11.070 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -4.807 -3.253 12.485 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -3.154 -2.451 13.978 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -1.920 -2.375 12.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -2.516 -0.206 12.759 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -3.706 -0.736 11.670 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -4.094 -0.511 13.308 1.00 0.00 H new ATOM 2195 N LYS B 123 -6.005 -7.377 9.511 1.00 0.00 N ATOM 2196 CA LYS B 123 -7.096 -7.953 8.713 1.00 0.00 C ATOM 2197 C LYS B 123 -8.114 -6.959 8.095 1.00 0.00 C ATOM 2198 O LYS B 123 -9.025 -6.487 8.774 1.00 0.00 O ATOM 2199 CB LYS B 123 -7.791 -9.071 9.527 1.00 0.00 C ATOM 2200 CG LYS B 123 -8.217 -8.834 10.999 1.00 0.00 C ATOM 2201 CD LYS B 123 -9.444 -7.923 11.220 1.00 0.00 C ATOM 2202 CE LYS B 123 -9.053 -6.475 11.582 1.00 0.00 C ATOM 2203 NZ LYS B 123 -10.033 -5.499 11.056 1.00 0.00 N ATOM 0 H LYS B 123 -6.218 -7.369 10.508 1.00 0.00 H new ATOM 0 HA LYS B 123 -6.616 -8.364 7.825 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -8.687 -9.358 8.977 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -7.124 -9.933 9.522 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -8.424 -9.802 11.455 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -7.371 -8.404 11.535 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -10.053 -7.915 10.316 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -10.061 -8.338 12.017 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -8.985 -6.376 12.665 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -8.065 -6.253 11.179 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -9.757 -4.539 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -10.054 -5.554 10.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -10.977 -5.717 11.434 1.00 0.00 H new ATOM 2217 N LEU B 124 -8.032 -6.681 6.791 1.00 0.00 N ATOM 2218 CA LEU B 124 -9.210 -6.236 6.030 1.00 0.00 C ATOM 2219 C LEU B 124 -9.964 -7.471 5.517 1.00 0.00 C ATOM 2220 O LEU B 124 -9.462 -8.206 4.664 1.00 0.00 O ATOM 2221 CB LEU B 124 -8.823 -5.274 4.893 1.00 0.00 C ATOM 2222 CG LEU B 124 -9.963 -5.061 3.875 1.00 0.00 C ATOM 2223 CD1 LEU B 124 -11.298 -4.609 4.453 1.00 0.00 C ATOM 2224 CD2 LEU B 124 -9.591 -4.006 2.849 1.00 0.00 C ATOM 0 H LEU B 124 -7.175 -6.754 6.243 1.00 0.00 H new ATOM 0 HA LEU B 124 -9.871 -5.668 6.685 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -8.538 -4.312 5.319 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -7.948 -5.665 4.375 1.00 0.00 H new ATOM 0 HG LEU B 124 -10.088 -6.057 3.451 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -12.022 -4.492 3.647 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -11.660 -5.355 5.160 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -11.168 -3.656 4.966 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -10.413 -3.877 2.145 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -9.395 -3.060 3.354 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -8.698 -4.322 2.310 1.00 0.00 H new ATOM 2236 N TYR B 125 -11.172 -7.708 6.024 1.00 0.00 N ATOM 2237 CA TYR B 125 -12.020 -8.877 5.731 1.00 0.00 C ATOM 2238 C TYR B 125 -12.621 -8.904 4.302 1.00 0.00 C ATOM 2239 O TYR B 125 -13.682 -9.473 4.070 1.00 0.00 O ATOM 2240 CB TYR B 125 -13.095 -8.968 6.832 1.00 0.00 C ATOM 2241 CG TYR B 125 -13.765 -7.642 7.150 1.00 0.00 C ATOM 2242 CD1 TYR B 125 -14.585 -7.026 6.185 1.00 0.00 C ATOM 2243 CD2 TYR B 125 -13.359 -6.913 8.285 1.00 0.00 C ATOM 2244 CE1 TYR B 125 -14.878 -5.656 6.290 1.00 0.00 C ATOM 2245 CE2 TYR B 125 -13.670 -5.547 8.395 1.00 0.00 C ATOM 2246 CZ TYR B 125 -14.396 -4.914 7.376 1.00 0.00 C ATOM 2247 OH TYR B 125 -14.597 -3.572 7.402 1.00 0.00 O ATOM 0 H TYR B 125 -11.613 -7.065 6.681 1.00 0.00 H new ATOM 0 HA TYR B 125 -11.389 -9.765 5.742 1.00 0.00 H new ATOM 0 HB2 TYR B 125 -13.857 -9.684 6.524 1.00 0.00 H new ATOM 0 HB3 TYR B 125 -12.638 -9.360 7.741 1.00 0.00 H new ATOM 0 HD1 TYR B 125 -14.987 -7.605 5.367 1.00 0.00 H new ATOM 0 HD2 TYR B 125 -12.807 -7.405 9.072 1.00 0.00 H new ATOM 0 HE1 TYR B 125 -15.476 -5.174 5.531 1.00 0.00 H new ATOM 0 HE2 TYR B 125 -13.351 -4.987 9.261 1.00 0.00 H new ATOM 0 HH TYR B 125 -13.732 -3.111 7.396 1.00 0.00 H new ATOM 2257 N ARG B 126 -11.931 -8.323 3.316 1.00 0.00 N ATOM 2258 CA ARG B 126 -12.319 -8.287 1.904 1.00 0.00 C ATOM 2259 C ARG B 126 -13.574 -7.434 1.610 1.00 0.00 C ATOM 2260 O ARG B 126 -13.475 -6.425 0.920 1.00 0.00 O ATOM 2261 CB ARG B 126 -12.385 -9.718 1.326 1.00 0.00 C ATOM 2262 CG ARG B 126 -11.520 -9.878 0.069 1.00 0.00 C ATOM 2263 CD ARG B 126 -10.036 -10.177 0.364 1.00 0.00 C ATOM 2264 NE ARG B 126 -9.462 -9.263 1.376 1.00 0.00 N ATOM 2265 CZ ARG B 126 -8.508 -8.331 1.255 1.00 0.00 C ATOM 2266 NH1 ARG B 126 -7.868 -8.065 0.132 1.00 0.00 N ATOM 2267 NH2 ARG B 126 -8.169 -7.635 2.319 1.00 0.00 N ATOM 0 H ARG B 126 -11.047 -7.844 3.489 1.00 0.00 H new ATOM 0 HA ARG B 126 -11.532 -7.754 1.371 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -12.056 -10.429 2.084 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -13.420 -9.963 1.086 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -11.928 -10.684 -0.541 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -11.586 -8.965 -0.524 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -9.939 -11.205 0.712 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -9.462 -10.097 -0.559 1.00 0.00 H new ATOM 0 HE ARG B 126 -9.854 -9.358 2.313 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -8.090 -8.585 -0.717 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -7.151 -7.340 0.113 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -8.630 -7.811 3.212 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -7.445 -6.920 2.251 1.00 0.00 H new