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 83 ASN : amide:sc= 0.834 K(o=2.4,f=-5.2) USER MOD Set 1.2: B 122 LYS NZ :NH3+ -145:sc= 1.53 (180deg=-1.63!) USER MOD Set 2.1: B 114 THR OG1 : rot 79:sc= 1.81 USER MOD Set 2.2: B 117 LYS NZ :NH3+ 178:sc= 2.66 (180deg=1.55) USER MOD Set 3.1: B 108 TYR OH : rot 179:sc= 0.952 USER MOD Set 3.2: B 112 GLN : amide:sc= 1.21 K(o=2.2,f=0.68) USER MOD Set 4.1: A 125 TYR OH : rot -172:sc= 0.249 USER MOD Set 4.2: B 82 SER OG : rot -17:sc= 0.949 USER MOD Set 5.1: A 114 THR OG1 : rot 77:sc= 0.708 USER MOD Set 5.2: A 117 LYS NZ :NH3+ -171:sc= 2.07 (180deg=1.75) USER MOD Set 6.1: A 108 TYR OH : rot 50:sc= 1.69 USER MOD Set 6.2: A 112 GLN : amide:sc= 0.726 K(o=2.4,f=0.54) USER MOD Set 7.1: A 103 GLN : amide:sc= 0.153 X(o=-0.36,f=-0.51) USER MOD Set 7.2: A 107 ASN : amide:sc= -0.513 K(o=-0.36,f=-0.99) USER MOD Set 8.1: A 81 GLN : amide:sc= 1.95 K(o=5.3,f=2.3) USER MOD Set 8.2: A 82 SER OG : rot 34:sc= 1.16 USER MOD Set 8.3: B 123 LYS NZ :NH3+ -157:sc= 1.43 (180deg=-1.11) USER MOD Set 8.4: B 125 TYR OH : rot 21:sc= 0.732 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0923 USER MOD Single : A 71 CYS SG : rot -160:sc= -0.244 USER MOD Single : A 79 TYR OH : rot 130:sc= 0 USER MOD Single : A 88 SER OG : rot -63:sc= 0.663 USER MOD Single : A 96 ASN : amide:sc= 0.29 K(o=0.29,f=-0.23) USER MOD Single : A 97 GLN : amide:sc= 0.968 K(o=0.97,f=-0.7) USER MOD Single : A 100 GLN : amide:sc= 0.947 K(o=0.95,f=-9.9!) USER MOD Single : A 101 SER OG : rot 37:sc= 1.31 USER MOD Single : A 111 THR OG1 : rot 80:sc= 1.02 USER MOD Single : A 115 TYR OH : rot -117:sc= 0.95 USER MOD Single : A 120 ASN : amide:sc= -0.0492 K(o=-0.049,f=-2.3) USER MOD Single : A 121 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -167:sc= 0.539 (180deg=-0.609) USER MOD Single : A 123 LYS NZ :NH3+ -117:sc= 2.35 (180deg=-0.708) USER MOD Single : B 69 SER OG : rot 180:sc= 0.353 USER MOD Single : B 71 CYS SG : rot -149:sc= -0.231 USER MOD Single : B 79 TYR OH : rot 90:sc= 0 USER MOD Single : B 81 GLN : amide:sc= 1.27 K(o=1.3,f=-0.067) USER MOD Single : B 83 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.7) USER MOD Single : B 88 SER OG : rot 84:sc= 1.06 USER MOD Single : B 96 ASN : amide:sc= 0.435 K(o=0.43,f=-0.2) USER MOD Single : B 97 GLN : amide:sc= 0.751 K(o=0.75,f=-0.57) USER MOD Single : B 100 GLN : amide:sc= 0.589 K(o=0.59,f=-0.15) USER MOD Single : B 101 SER OG : rot 30:sc= 1.21 USER MOD Single : B 103 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 107 ASN : amide:sc= -0.413 K(o=-0.41,f=-0.95) USER MOD Single : B 111 THR OG1 : rot -29:sc= 1.22 USER MOD Single : B 115 TYR OH : rot 165:sc= -0.0813 USER MOD Single : B 120 ASN : amide:sc= -0.74 K(o=-0.74,f=-2.1) USER MOD Single : B 121 GLN : amide:sc=-0.00237 X(o=-0.0024,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LEU A 68 -7.769 8.241 -6.995 1.00 0.00 N ATOM 115 CA LEU A 68 -8.759 7.995 -5.951 1.00 0.00 C ATOM 116 C LEU A 68 -10.177 8.061 -6.549 1.00 0.00 C ATOM 117 O LEU A 68 -11.050 8.826 -6.144 1.00 0.00 O ATOM 118 CB LEU A 68 -8.479 8.823 -4.682 1.00 0.00 C ATOM 119 CG LEU A 68 -7.672 8.010 -3.644 1.00 0.00 C ATOM 120 CD1 LEU A 68 -6.285 7.617 -4.169 1.00 0.00 C ATOM 121 CD2 LEU A 68 -7.507 8.850 -2.373 1.00 0.00 C ATOM 0 HA LEU A 68 -8.677 6.977 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.928 9.725 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.422 9.145 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.222 7.092 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.755 7.048 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.395 7.007 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.719 8.517 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.939 8.285 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.976 9.771 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.489 9.092 -1.967 1.00 0.00 H new ATOM 133 N SER A 69 -10.395 7.199 -7.544 1.00 0.00 N ATOM 134 CA SER A 69 -11.704 6.891 -8.104 1.00 0.00 C ATOM 135 C SER A 69 -12.593 6.167 -7.081 1.00 0.00 C ATOM 136 O SER A 69 -12.122 5.703 -6.046 1.00 0.00 O ATOM 137 CB SER A 69 -11.500 6.027 -9.351 1.00 0.00 C ATOM 138 OG SER A 69 -12.748 5.787 -9.986 1.00 0.00 O ATOM 0 H SER A 69 -9.639 6.682 -7.993 1.00 0.00 H new ATOM 0 HA SER A 69 -12.214 7.817 -8.369 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.821 6.526 -10.042 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.035 5.080 -9.075 1.00 0.00 H new ATOM 0 HG SER A 69 -12.608 5.235 -10.784 1.00 0.00 H new ATOM 144 N ALA A 70 -13.888 6.032 -7.382 1.00 0.00 N ATOM 145 CA ALA A 70 -14.887 5.444 -6.486 1.00 0.00 C ATOM 146 C ALA A 70 -14.416 4.135 -5.824 1.00 0.00 C ATOM 147 O ALA A 70 -14.433 3.997 -4.607 1.00 0.00 O ATOM 148 CB ALA A 70 -16.190 5.238 -7.263 1.00 0.00 C ATOM 0 H ALA A 70 -14.279 6.335 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 70 -15.050 6.140 -5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.941 4.800 -6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.548 6.198 -7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -16.010 4.568 -8.104 1.00 0.00 H new ATOM 154 N CYS A 71 -13.962 3.174 -6.629 1.00 0.00 N ATOM 155 CA CYS A 71 -13.418 1.907 -6.145 1.00 0.00 C ATOM 156 C CYS A 71 -12.186 2.068 -5.232 1.00 0.00 C ATOM 157 O CYS A 71 -12.088 1.404 -4.201 1.00 0.00 O ATOM 158 CB CYS A 71 -13.118 1.009 -7.349 1.00 0.00 C ATOM 159 SG CYS A 71 -11.872 1.739 -8.435 1.00 0.00 S ATOM 0 H CYS A 71 -13.962 3.255 -7.646 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.171 1.441 -5.510 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.771 0.036 -7.000 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -14.035 0.837 -7.912 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.950 1.194 -9.613 1.00 0.00 H new ATOM 165 N GLU A 72 -11.250 2.949 -5.588 1.00 0.00 N ATOM 166 CA GLU A 72 -10.032 3.189 -4.821 1.00 0.00 C ATOM 167 C GLU A 72 -10.367 3.818 -3.459 1.00 0.00 C ATOM 168 O GLU A 72 -9.883 3.407 -2.411 1.00 0.00 O ATOM 169 CB GLU A 72 -9.104 4.097 -5.632 1.00 0.00 C ATOM 170 CG GLU A 72 -8.754 3.521 -7.013 1.00 0.00 C ATOM 171 CD GLU A 72 -7.842 4.429 -7.811 1.00 0.00 C ATOM 172 OE1 GLU A 72 -8.211 5.607 -7.997 1.00 0.00 O ATOM 173 OE2 GLU A 72 -6.825 3.907 -8.303 1.00 0.00 O ATOM 0 H GLU A 72 -11.320 3.522 -6.429 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.527 2.242 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.578 5.070 -5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.185 4.262 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.274 2.551 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.673 3.351 -7.575 1.00 0.00 H new ATOM 180 N VAL A 73 -11.247 4.814 -3.469 1.00 0.00 N ATOM 181 CA VAL A 73 -11.731 5.462 -2.257 1.00 0.00 C ATOM 182 C VAL A 73 -12.522 4.474 -1.388 1.00 0.00 C ATOM 183 O VAL A 73 -12.285 4.376 -0.192 1.00 0.00 O ATOM 184 CB VAL A 73 -12.536 6.710 -2.637 1.00 0.00 C ATOM 185 CG1 VAL A 73 -13.105 7.401 -1.401 1.00 0.00 C ATOM 186 CG2 VAL A 73 -11.623 7.726 -3.324 1.00 0.00 C ATOM 0 H VAL A 73 -11.647 5.197 -4.326 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.889 5.788 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.343 6.383 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.670 8.282 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.763 6.713 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -12.289 7.702 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.200 8.611 -3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.818 8.009 -2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.199 7.283 -4.225 1.00 0.00 H new ATOM 196 N ALA A 74 -13.423 3.693 -1.989 1.00 0.00 N ATOM 197 CA ALA A 74 -14.211 2.698 -1.263 1.00 0.00 C ATOM 198 C ALA A 74 -13.312 1.643 -0.602 1.00 0.00 C ATOM 199 O ALA A 74 -13.528 1.241 0.540 1.00 0.00 O ATOM 200 CB ALA A 74 -15.216 2.050 -2.218 1.00 0.00 C ATOM 0 H ALA A 74 -13.625 3.733 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.754 3.198 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.804 1.308 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.879 2.815 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.681 1.565 -3.035 1.00 0.00 H new ATOM 206 N VAL A 75 -12.285 1.184 -1.320 1.00 0.00 N ATOM 207 CA VAL A 75 -11.350 0.226 -0.733 1.00 0.00 C ATOM 208 C VAL A 75 -10.518 0.863 0.398 1.00 0.00 C ATOM 209 O VAL A 75 -10.292 0.263 1.446 1.00 0.00 O ATOM 210 CB VAL A 75 -10.504 -0.476 -1.801 1.00 0.00 C ATOM 211 CG1 VAL A 75 -9.265 0.279 -2.276 1.00 0.00 C ATOM 212 CG2 VAL A 75 -10.103 -1.862 -1.292 1.00 0.00 C ATOM 0 H VAL A 75 -12.083 1.452 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.935 -0.564 -0.261 1.00 0.00 H new ATOM 0 HB VAL A 75 -11.144 -0.533 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.745 -0.312 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.564 1.234 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.600 0.455 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -9.501 -2.367 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.523 -1.759 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.999 -2.449 -1.091 1.00 0.00 H new ATOM 222 N LEU A 76 -10.076 2.102 0.181 1.00 0.00 N ATOM 223 CA LEU A 76 -9.444 2.944 1.208 1.00 0.00 C ATOM 224 C LEU A 76 -10.304 3.177 2.457 1.00 0.00 C ATOM 225 O LEU A 76 -9.807 3.164 3.581 1.00 0.00 O ATOM 226 CB LEU A 76 -8.889 4.228 0.588 1.00 0.00 C ATOM 227 CG LEU A 76 -7.490 3.954 0.008 1.00 0.00 C ATOM 228 CD1 LEU A 76 -7.140 5.002 -1.043 1.00 0.00 C ATOM 229 CD2 LEU A 76 -6.404 4.006 1.093 1.00 0.00 C ATOM 0 H LEU A 76 -10.146 2.560 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.597 2.379 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.557 4.584 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.835 5.014 1.341 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.521 2.956 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.148 4.797 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.873 4.968 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.149 5.992 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.431 3.807 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.396 4.994 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.613 3.253 1.853 1.00 0.00 H new ATOM 241 N ASP A 77 -11.611 3.310 2.276 1.00 0.00 N ATOM 242 CA ASP A 77 -12.538 3.441 3.389 1.00 0.00 C ATOM 243 C ASP A 77 -12.594 2.109 4.153 1.00 0.00 C ATOM 244 O ASP A 77 -12.303 2.056 5.345 1.00 0.00 O ATOM 245 CB ASP A 77 -13.894 3.918 2.857 1.00 0.00 C ATOM 246 CG ASP A 77 -14.879 4.133 3.989 1.00 0.00 C ATOM 247 OD1 ASP A 77 -15.420 3.110 4.458 1.00 0.00 O ATOM 248 OD2 ASP A 77 -15.073 5.303 4.372 1.00 0.00 O ATOM 0 H ASP A 77 -12.056 3.330 1.358 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.208 4.193 4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.764 4.847 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -14.293 3.183 2.158 1.00 0.00 H new ATOM 253 N LEU A 78 -12.822 0.995 3.449 1.00 0.00 N ATOM 254 CA LEU A 78 -12.700 -0.345 4.006 1.00 0.00 C ATOM 255 C LEU A 78 -11.402 -0.520 4.818 1.00 0.00 C ATOM 256 O LEU A 78 -11.449 -0.980 5.962 1.00 0.00 O ATOM 257 CB LEU A 78 -12.832 -1.375 2.873 1.00 0.00 C ATOM 258 CG LEU A 78 -14.283 -1.617 2.441 1.00 0.00 C ATOM 259 CD1 LEU A 78 -14.317 -2.304 1.071 1.00 0.00 C ATOM 260 CD2 LEU A 78 -15.038 -2.492 3.449 1.00 0.00 C ATOM 0 H LEU A 78 -13.099 1.005 2.467 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.508 -0.509 4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.256 -1.035 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.394 -2.319 3.197 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.771 -0.644 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.352 -2.471 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.825 -1.669 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.798 -3.260 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.062 -2.640 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.541 -3.458 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.048 -2.000 4.422 1.00 0.00 H new ATOM 272 N TYR A 79 -10.237 -0.149 4.271 1.00 0.00 N ATOM 273 CA TYR A 79 -8.979 -0.164 5.013 1.00 0.00 C ATOM 274 C TYR A 79 -9.083 0.529 6.382 1.00 0.00 C ATOM 275 O TYR A 79 -8.735 -0.093 7.388 1.00 0.00 O ATOM 276 CB TYR A 79 -7.834 0.461 4.189 1.00 0.00 C ATOM 277 CG TYR A 79 -7.244 -0.438 3.126 1.00 0.00 C ATOM 278 CD1 TYR A 79 -6.830 -1.736 3.470 1.00 0.00 C ATOM 279 CD2 TYR A 79 -7.246 -0.060 1.776 1.00 0.00 C ATOM 280 CE1 TYR A 79 -6.710 -2.710 2.466 1.00 0.00 C ATOM 281 CE2 TYR A 79 -7.227 -1.045 0.788 1.00 0.00 C ATOM 282 CZ TYR A 79 -7.077 -2.379 1.152 1.00 0.00 C ATOM 283 OH TYR A 79 -7.122 -3.343 0.199 1.00 0.00 O ATOM 0 H TYR A 79 -10.145 0.168 3.306 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.752 -1.214 5.197 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.204 1.368 3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.039 0.762 4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.606 -1.982 4.497 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.262 0.985 1.503 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.341 -3.698 2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.328 -0.773 -0.252 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.979 -3.296 -0.273 1.00 0.00 H new ATOM 293 N GLU A 80 -9.560 1.773 6.440 1.00 0.00 N ATOM 294 CA GLU A 80 -9.539 2.564 7.672 1.00 0.00 C ATOM 295 C GLU A 80 -10.734 2.325 8.612 1.00 0.00 C ATOM 296 O GLU A 80 -10.565 2.363 9.829 1.00 0.00 O ATOM 297 CB GLU A 80 -9.232 4.034 7.372 1.00 0.00 C ATOM 298 CG GLU A 80 -7.787 4.214 6.851 1.00 0.00 C ATOM 299 CD GLU A 80 -6.663 4.141 7.897 1.00 0.00 C ATOM 300 OE1 GLU A 80 -6.771 3.333 8.848 1.00 0.00 O ATOM 301 OE2 GLU A 80 -5.679 4.892 7.731 1.00 0.00 O ATOM 0 H GLU A 80 -9.969 2.258 5.641 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.709 2.192 8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.937 4.411 6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.371 4.628 8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.600 3.450 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.724 5.180 6.350 1.00 0.00 H new ATOM 308 N GLN A 81 -11.889 1.874 8.109 1.00 0.00 N ATOM 309 CA GLN A 81 -12.835 1.106 8.931 1.00 0.00 C ATOM 310 C GLN A 81 -12.083 -0.022 9.664 1.00 0.00 C ATOM 311 O GLN A 81 -12.242 -0.274 10.858 1.00 0.00 O ATOM 312 CB GLN A 81 -13.902 0.415 8.076 1.00 0.00 C ATOM 313 CG GLN A 81 -14.907 1.243 7.267 1.00 0.00 C ATOM 314 CD GLN A 81 -15.785 0.299 6.443 1.00 0.00 C ATOM 315 OE1 GLN A 81 -15.906 -0.886 6.753 1.00 0.00 O ATOM 316 NE2 GLN A 81 -16.384 0.765 5.370 1.00 0.00 N ATOM 0 H GLN A 81 -12.190 2.025 7.146 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.301 1.813 9.618 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.380 -0.234 7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.477 -0.231 8.739 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.524 1.843 7.936 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.381 1.936 6.611 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.282 1.747 5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.951 0.144 4.792 1.00 0.00 H new ATOM 325 N SER A 82 -11.216 -0.723 8.925 1.00 0.00 N ATOM 326 CA SER A 82 -10.335 -1.743 9.473 1.00 0.00 C ATOM 327 C SER A 82 -9.119 -1.217 10.258 1.00 0.00 C ATOM 328 O SER A 82 -8.423 -2.043 10.860 1.00 0.00 O ATOM 329 CB SER A 82 -9.920 -2.731 8.377 1.00 0.00 C ATOM 330 OG SER A 82 -10.839 -3.814 8.427 1.00 0.00 O ATOM 0 H SER A 82 -11.110 -0.591 7.919 1.00 0.00 H new ATOM 0 HA SER A 82 -10.926 -2.260 10.229 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.940 -2.252 7.398 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.901 -3.082 8.539 1.00 0.00 H new ATOM 0 HG SER A 82 -11.725 -3.480 8.679 1.00 0.00 H new ATOM 336 N ASN A 83 -8.889 0.096 10.252 1.00 0.00 N ATOM 337 CA ASN A 83 -7.702 0.829 10.692 1.00 0.00 C ATOM 338 C ASN A 83 -6.385 0.340 10.060 1.00 0.00 C ATOM 339 O ASN A 83 -5.583 -0.313 10.734 1.00 0.00 O ATOM 340 CB ASN A 83 -7.633 0.922 12.218 1.00 0.00 C ATOM 341 CG ASN A 83 -6.393 1.696 12.652 1.00 0.00 C ATOM 342 OD1 ASN A 83 -5.587 1.208 13.442 1.00 0.00 O ATOM 343 ND2 ASN A 83 -6.150 2.870 12.097 1.00 0.00 N ATOM 0 H ASN A 83 -9.602 0.737 9.904 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.820 1.843 10.309 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.528 1.415 12.599 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.613 -0.079 12.648 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.292 3.373 12.324 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.820 3.273 11.442 1.00 0.00 H new ATOM 350 N ILE A 84 -6.149 0.640 8.785 1.00 0.00 N ATOM 351 CA ILE A 84 -4.948 0.288 8.033 1.00 0.00 C ATOM 352 C ILE A 84 -4.431 1.498 7.245 1.00 0.00 C ATOM 353 O ILE A 84 -4.980 1.830 6.197 1.00 0.00 O ATOM 354 CB ILE A 84 -5.281 -0.870 7.078 1.00 0.00 C ATOM 355 CG1 ILE A 84 -5.508 -2.147 7.894 1.00 0.00 C ATOM 356 CG2 ILE A 84 -4.166 -1.114 6.040 1.00 0.00 C ATOM 357 CD1 ILE A 84 -6.233 -3.212 7.086 1.00 0.00 C ATOM 0 H ILE A 84 -6.822 1.160 8.222 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.164 -0.021 8.725 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.183 -0.598 6.530 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.548 -2.538 8.232 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.088 -1.910 8.786 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.449 -1.942 5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.023 -0.214 5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.237 -1.359 6.555 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.374 -4.101 7.700 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.204 -2.831 6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.641 -3.468 6.208 1.00 0.00 H new ATOM 369 N ARG A 85 -3.288 2.051 7.654 1.00 0.00 N ATOM 370 CA ARG A 85 -2.592 2.994 6.777 1.00 0.00 C ATOM 371 C ARG A 85 -2.109 2.248 5.517 1.00 0.00 C ATOM 372 O ARG A 85 -1.490 1.184 5.607 1.00 0.00 O ATOM 373 CB ARG A 85 -1.449 3.724 7.515 1.00 0.00 C ATOM 374 CG ARG A 85 -0.919 4.924 6.699 1.00 0.00 C ATOM 375 CD ARG A 85 0.255 5.647 7.386 1.00 0.00 C ATOM 376 NE ARG A 85 0.958 6.540 6.430 1.00 0.00 N ATOM 377 CZ ARG A 85 1.519 7.743 6.616 1.00 0.00 C ATOM 378 NH1 ARG A 85 1.633 8.310 7.801 1.00 0.00 N ATOM 379 NH2 ARG A 85 1.966 8.394 5.567 1.00 0.00 N ATOM 0 H ARG A 85 -2.838 1.872 8.552 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.283 3.777 6.466 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.805 4.072 8.485 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.634 3.025 7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.599 4.576 5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.731 5.633 6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.115 6.230 8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.955 4.914 7.787 1.00 0.00 H new ATOM 0 HE ARG A 85 1.025 6.180 5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.285 7.830 8.631 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.069 9.228 7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.882 7.982 4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.397 9.311 5.682 1.00 0.00 H new ATOM 393 N ILE A 86 -2.400 2.781 4.332 1.00 0.00 N ATOM 394 CA ILE A 86 -1.853 2.323 3.055 1.00 0.00 C ATOM 395 C ILE A 86 -0.648 3.204 2.680 1.00 0.00 C ATOM 396 O ILE A 86 -0.803 4.423 2.687 1.00 0.00 O ATOM 397 CB ILE A 86 -2.967 2.347 1.994 1.00 0.00 C ATOM 398 CG1 ILE A 86 -4.062 1.302 2.284 1.00 0.00 C ATOM 399 CG2 ILE A 86 -2.406 2.137 0.585 1.00 0.00 C ATOM 400 CD1 ILE A 86 -3.579 -0.156 2.310 1.00 0.00 C ATOM 0 H ILE A 86 -3.042 3.567 4.230 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.494 1.296 3.124 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.420 3.337 2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.519 1.534 3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.842 1.397 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.221 2.160 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.694 2.930 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.903 1.172 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.421 -0.815 2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.150 -0.415 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.822 -0.275 3.085 1.00 0.00 H new ATOM 412 N PRO A 87 0.540 2.626 2.405 1.00 0.00 N ATOM 413 CA PRO A 87 1.700 3.408 2.004 1.00 0.00 C ATOM 414 C PRO A 87 1.398 4.307 0.803 1.00 0.00 C ATOM 415 O PRO A 87 0.754 3.870 -0.154 1.00 0.00 O ATOM 416 CB PRO A 87 2.796 2.390 1.661 1.00 0.00 C ATOM 417 CG PRO A 87 2.422 1.154 2.476 1.00 0.00 C ATOM 418 CD PRO A 87 0.892 1.216 2.498 1.00 0.00 C ATOM 0 HA PRO A 87 2.007 4.079 2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 87 2.818 2.172 0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.784 2.762 1.931 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.783 0.237 2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.843 1.189 3.481 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.468 0.653 1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.498 0.776 3.414 1.00 0.00 H new ATOM 426 N SER A 88 1.918 5.528 0.797 1.00 0.00 N ATOM 427 CA SER A 88 2.002 6.321 -0.424 1.00 0.00 C ATOM 428 C SER A 88 2.639 5.507 -1.564 1.00 0.00 C ATOM 429 O SER A 88 2.157 5.553 -2.693 1.00 0.00 O ATOM 430 CB SER A 88 2.726 7.639 -0.139 1.00 0.00 C ATOM 431 OG SER A 88 4.050 7.405 0.275 1.00 0.00 O ATOM 0 H SER A 88 2.289 5.992 1.626 1.00 0.00 H new ATOM 0 HA SER A 88 0.999 6.577 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.725 8.260 -1.035 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.192 8.193 0.633 1.00 0.00 H new ATOM 0 HG SER A 88 4.046 6.911 1.122 1.00 0.00 H new ATOM 437 N ASP A 89 3.623 4.661 -1.255 1.00 0.00 N ATOM 438 CA ASP A 89 4.265 3.738 -2.184 1.00 0.00 C ATOM 439 C ASP A 89 3.325 2.655 -2.776 1.00 0.00 C ATOM 440 O ASP A 89 3.604 2.084 -3.827 1.00 0.00 O ATOM 441 CB ASP A 89 5.447 3.087 -1.457 1.00 0.00 C ATOM 442 CG ASP A 89 6.259 4.021 -0.596 1.00 0.00 C ATOM 443 OD1 ASP A 89 5.781 4.287 0.521 1.00 0.00 O ATOM 444 OD2 ASP A 89 7.371 4.407 -1.016 1.00 0.00 O ATOM 0 H ASP A 89 4.008 4.600 -0.312 1.00 0.00 H new ATOM 0 HA ASP A 89 4.590 4.318 -3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.069 2.278 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.106 2.636 -2.199 1.00 0.00 H new ATOM 449 N ILE A 90 2.194 2.330 -2.129 1.00 0.00 N ATOM 450 CA ILE A 90 1.115 1.589 -2.801 1.00 0.00 C ATOM 451 C ILE A 90 0.428 2.511 -3.808 1.00 0.00 C ATOM 452 O ILE A 90 0.234 2.167 -4.973 1.00 0.00 O ATOM 453 CB ILE A 90 0.072 1.057 -1.787 1.00 0.00 C ATOM 454 CG1 ILE A 90 0.521 -0.193 -1.020 1.00 0.00 C ATOM 455 CG2 ILE A 90 -1.304 0.793 -2.424 1.00 0.00 C ATOM 456 CD1 ILE A 90 0.537 -1.451 -1.883 1.00 0.00 C ATOM 0 H ILE A 90 2.004 2.565 -1.155 1.00 0.00 H new ATOM 0 HA ILE A 90 1.553 0.730 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.019 1.871 -1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.519 -0.025 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.145 -0.350 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.992 0.422 -1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.694 1.720 -2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.202 0.050 -3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.863 -2.300 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.465 -1.642 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.224 -1.311 -2.717 1.00 0.00 H new ATOM 468 N ILE A 91 -0.004 3.672 -3.318 1.00 0.00 N ATOM 469 CA ILE A 91 -0.866 4.613 -4.022 1.00 0.00 C ATOM 470 C ILE A 91 -0.204 5.062 -5.336 1.00 0.00 C ATOM 471 O ILE A 91 -0.864 5.079 -6.378 1.00 0.00 O ATOM 472 CB ILE A 91 -1.269 5.737 -3.042 1.00 0.00 C ATOM 473 CG1 ILE A 91 -2.099 5.111 -1.896 1.00 0.00 C ATOM 474 CG2 ILE A 91 -2.086 6.837 -3.732 1.00 0.00 C ATOM 475 CD1 ILE A 91 -2.260 6.004 -0.663 1.00 0.00 C ATOM 0 H ILE A 91 0.248 3.993 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.800 4.154 -4.345 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.362 6.203 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.089 4.859 -2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.627 4.176 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.347 7.606 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.495 7.281 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.997 6.407 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.855 5.484 0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.278 6.236 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.762 6.929 -0.947 1.00 0.00 H new ATOM 487 N GLU A 92 1.111 5.300 -5.291 1.00 0.00 N ATOM 488 CA GLU A 92 2.041 5.412 -6.421 1.00 0.00 C ATOM 489 C GLU A 92 1.614 4.562 -7.635 1.00 0.00 C ATOM 490 O GLU A 92 1.146 5.092 -8.650 1.00 0.00 O ATOM 491 CB GLU A 92 3.437 5.019 -5.891 1.00 0.00 C ATOM 492 CG GLU A 92 4.557 4.961 -6.950 1.00 0.00 C ATOM 493 CD GLU A 92 5.899 4.552 -6.350 1.00 0.00 C ATOM 494 OE1 GLU A 92 6.426 5.324 -5.528 1.00 0.00 O ATOM 495 OE2 GLU A 92 6.409 3.461 -6.680 1.00 0.00 O ATOM 0 H GLU A 92 1.589 5.429 -4.399 1.00 0.00 H new ATOM 0 HA GLU A 92 2.048 6.434 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.727 5.732 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.363 4.043 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.280 4.253 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.656 5.937 -7.425 1.00 0.00 H new ATOM 502 N ASP A 93 1.743 3.238 -7.524 1.00 0.00 N ATOM 503 CA ASP A 93 1.399 2.317 -8.593 1.00 0.00 C ATOM 504 C ASP A 93 -0.130 2.180 -8.729 1.00 0.00 C ATOM 505 O ASP A 93 -0.680 2.402 -9.808 1.00 0.00 O ATOM 506 CB ASP A 93 2.140 0.993 -8.361 1.00 0.00 C ATOM 507 CG ASP A 93 2.185 0.145 -9.617 1.00 0.00 C ATOM 508 OD1 ASP A 93 2.889 0.557 -10.559 1.00 0.00 O ATOM 509 OD2 ASP A 93 1.515 -0.911 -9.657 1.00 0.00 O ATOM 0 H ASP A 93 2.092 2.779 -6.683 1.00 0.00 H new ATOM 0 HA ASP A 93 1.728 2.701 -9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.156 1.199 -8.025 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.648 0.436 -7.564 1.00 0.00 H new ATOM 514 N LEU A 94 -0.818 1.835 -7.632 1.00 0.00 N ATOM 515 CA LEU A 94 -2.272 1.609 -7.554 1.00 0.00 C ATOM 516 C LEU A 94 -3.065 2.610 -8.418 1.00 0.00 C ATOM 517 O LEU A 94 -3.804 2.227 -9.330 1.00 0.00 O ATOM 518 CB LEU A 94 -2.709 1.697 -6.077 1.00 0.00 C ATOM 519 CG LEU A 94 -4.061 1.071 -5.674 1.00 0.00 C ATOM 520 CD1 LEU A 94 -4.621 1.825 -4.466 1.00 0.00 C ATOM 521 CD2 LEU A 94 -5.152 1.120 -6.733 1.00 0.00 C ATOM 0 H LEU A 94 -0.357 1.699 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.490 0.618 -7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.933 1.228 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.735 2.751 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.828 0.023 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.576 1.388 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.920 1.751 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.766 2.873 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.057 0.653 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.361 2.158 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.820 0.584 -7.622 1.00 0.00 H new ATOM 533 N VAL A 95 -2.883 3.904 -8.145 1.00 0.00 N ATOM 534 CA VAL A 95 -3.522 4.978 -8.888 1.00 0.00 C ATOM 535 C VAL A 95 -3.255 4.883 -10.395 1.00 0.00 C ATOM 536 O VAL A 95 -4.191 4.668 -11.159 1.00 0.00 O ATOM 537 CB VAL A 95 -3.133 6.334 -8.283 1.00 0.00 C ATOM 538 CG1 VAL A 95 -3.645 7.482 -9.152 1.00 0.00 C ATOM 539 CG2 VAL A 95 -3.765 6.477 -6.892 1.00 0.00 C ATOM 0 H VAL A 95 -2.279 4.233 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.603 4.875 -8.791 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.046 6.376 -8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.358 8.433 -8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.212 7.405 -10.149 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.731 7.428 -9.223 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.488 7.440 -6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.850 6.416 -6.977 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.407 5.676 -6.245 1.00 0.00 H new ATOM 549 N ASN A 96 -2.011 5.014 -10.858 1.00 0.00 N ATOM 550 CA ASN A 96 -1.761 5.085 -12.302 1.00 0.00 C ATOM 551 C ASN A 96 -2.027 3.762 -13.053 1.00 0.00 C ATOM 552 O ASN A 96 -2.620 3.757 -14.130 1.00 0.00 O ATOM 553 CB ASN A 96 -0.361 5.656 -12.582 1.00 0.00 C ATOM 554 CG ASN A 96 0.751 4.617 -12.502 1.00 0.00 C ATOM 555 OD1 ASN A 96 1.064 3.946 -13.476 1.00 0.00 O ATOM 556 ND2 ASN A 96 1.386 4.456 -11.359 1.00 0.00 N ATOM 0 H ASN A 96 -1.178 5.072 -10.272 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.497 5.777 -12.711 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.354 6.107 -13.574 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -0.154 6.453 -11.868 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.139 3.772 -11.286 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.125 5.016 -10.547 1.00 0.00 H new ATOM 563 N GLN A 97 -1.563 2.637 -12.502 1.00 0.00 N ATOM 564 CA GLN A 97 -1.187 1.468 -13.289 1.00 0.00 C ATOM 565 C GLN A 97 -2.332 0.753 -14.022 1.00 0.00 C ATOM 566 O GLN A 97 -2.156 0.317 -15.157 1.00 0.00 O ATOM 567 CB GLN A 97 -0.382 0.518 -12.391 1.00 0.00 C ATOM 568 CG GLN A 97 -1.206 -0.113 -11.252 1.00 0.00 C ATOM 569 CD GLN A 97 -1.358 -1.609 -11.431 1.00 0.00 C ATOM 570 OE1 GLN A 97 -2.389 -2.115 -11.853 1.00 0.00 O ATOM 571 NE2 GLN A 97 -0.308 -2.344 -11.131 1.00 0.00 N ATOM 0 H GLN A 97 -1.439 2.515 -11.497 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.575 1.829 -14.116 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.039 -0.278 -13.006 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.456 1.065 -11.960 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.722 0.092 -10.297 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.192 0.351 -11.216 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.541 -1.901 -10.781 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.344 -3.357 -11.249 1.00 0.00 H new ATOM 580 N ARG A 98 -3.474 0.565 -13.365 1.00 0.00 N ATOM 581 CA ARG A 98 -4.637 -0.169 -13.860 1.00 0.00 C ATOM 582 C ARG A 98 -5.755 -0.159 -12.806 1.00 0.00 C ATOM 583 O ARG A 98 -5.825 0.726 -11.954 1.00 0.00 O ATOM 584 CB ARG A 98 -4.258 -1.612 -14.299 1.00 0.00 C ATOM 585 CG ARG A 98 -4.980 -2.040 -15.594 1.00 0.00 C ATOM 586 CD ARG A 98 -5.714 -3.389 -15.496 1.00 0.00 C ATOM 587 NE ARG A 98 -7.146 -3.207 -15.162 1.00 0.00 N ATOM 588 CZ ARG A 98 -7.974 -4.088 -14.589 1.00 0.00 C ATOM 589 NH1 ARG A 98 -7.571 -5.270 -14.173 1.00 0.00 N ATOM 590 NH2 ARG A 98 -9.235 -3.771 -14.412 1.00 0.00 N ATOM 0 H ARG A 98 -3.621 0.938 -12.427 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.011 0.334 -14.751 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.180 -1.672 -14.450 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.507 -2.310 -13.499 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.699 -1.268 -15.867 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.250 -2.095 -16.401 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.625 -3.922 -16.443 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -5.238 -4.009 -14.736 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.549 -2.300 -15.397 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.594 -5.544 -14.283 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.235 -5.912 -13.741 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.578 -2.858 -14.711 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.872 -4.438 -13.976 1.00 0.00 H new ATOM 604 N LEU A 99 -6.591 -1.189 -12.873 1.00 0.00 N ATOM 605 CA LEU A 99 -7.609 -1.589 -11.903 1.00 0.00 C ATOM 606 C LEU A 99 -8.878 -0.740 -12.028 1.00 0.00 C ATOM 607 O LEU A 99 -8.832 0.458 -12.300 1.00 0.00 O ATOM 608 CB LEU A 99 -7.081 -1.596 -10.463 1.00 0.00 C ATOM 609 CG LEU A 99 -5.669 -2.203 -10.303 1.00 0.00 C ATOM 610 CD1 LEU A 99 -4.823 -1.412 -9.310 1.00 0.00 C ATOM 611 CD2 LEU A 99 -5.735 -3.652 -9.837 1.00 0.00 C ATOM 0 H LEU A 99 -6.574 -1.820 -13.674 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.874 -2.618 -12.145 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.067 -0.572 -10.089 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.776 -2.155 -9.837 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.204 -2.157 -11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.838 -1.870 -9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.717 -0.385 -9.660 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.309 -1.415 -8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.725 -4.048 -9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.243 -3.702 -8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.285 -4.245 -10.568 1.00 0.00 H new ATOM 623 N GLN A 100 -10.025 -1.390 -11.902 1.00 0.00 N ATOM 624 CA GLN A 100 -11.339 -0.801 -12.151 1.00 0.00 C ATOM 625 C GLN A 100 -12.358 -1.168 -11.057 1.00 0.00 C ATOM 626 O GLN A 100 -13.124 -0.306 -10.636 1.00 0.00 O ATOM 627 CB GLN A 100 -11.829 -1.184 -13.560 1.00 0.00 C ATOM 628 CG GLN A 100 -11.411 -0.184 -14.662 1.00 0.00 C ATOM 629 CD GLN A 100 -9.929 -0.160 -15.038 1.00 0.00 C ATOM 630 OE1 GLN A 100 -9.238 -1.174 -15.038 1.00 0.00 O ATOM 631 NE2 GLN A 100 -9.412 0.993 -15.419 1.00 0.00 N ATOM 0 H GLN A 100 -10.073 -2.368 -11.616 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.240 0.284 -12.110 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.442 -2.171 -13.813 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.916 -1.262 -13.547 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.987 -0.407 -15.560 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.697 0.817 -14.340 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.988 1.835 -15.418 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.437 1.042 -15.714 1.00 0.00 H new ATOM 640 N SER A 101 -12.377 -2.412 -10.572 1.00 0.00 N ATOM 641 CA SER A 101 -13.263 -2.813 -9.471 1.00 0.00 C ATOM 642 C SER A 101 -12.594 -2.756 -8.088 1.00 0.00 C ATOM 643 O SER A 101 -11.423 -3.097 -7.941 1.00 0.00 O ATOM 644 CB SER A 101 -13.810 -4.220 -9.730 1.00 0.00 C ATOM 645 OG SER A 101 -14.684 -4.604 -8.675 1.00 0.00 O ATOM 0 H SER A 101 -11.786 -3.164 -10.926 1.00 0.00 H new ATOM 0 HA SER A 101 -14.076 -2.087 -9.448 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.342 -4.243 -10.681 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.987 -4.930 -9.808 1.00 0.00 H new ATOM 0 HG SER A 101 -15.200 -3.826 -8.378 1.00 0.00 H new ATOM 651 N GLU A 102 -13.384 -2.427 -7.063 1.00 0.00 N ATOM 652 CA GLU A 102 -13.146 -2.639 -5.633 1.00 0.00 C ATOM 653 C GLU A 102 -12.387 -3.950 -5.375 1.00 0.00 C ATOM 654 O GLU A 102 -11.393 -4.016 -4.661 1.00 0.00 O ATOM 655 CB GLU A 102 -14.495 -2.673 -4.881 1.00 0.00 C ATOM 656 CG GLU A 102 -15.537 -1.654 -5.384 1.00 0.00 C ATOM 657 CD GLU A 102 -16.462 -2.213 -6.462 1.00 0.00 C ATOM 658 OE1 GLU A 102 -15.987 -2.516 -7.583 1.00 0.00 O ATOM 659 OE2 GLU A 102 -17.644 -2.489 -6.181 1.00 0.00 O ATOM 0 H GLU A 102 -14.280 -1.968 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.534 -1.814 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.917 -3.675 -4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.310 -2.491 -3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.138 -1.314 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.018 -0.780 -5.778 1.00 0.00 H new ATOM 666 N GLN A 103 -12.865 -5.010 -6.020 1.00 0.00 N ATOM 667 CA GLN A 103 -12.308 -6.350 -5.936 1.00 0.00 C ATOM 668 C GLN A 103 -10.877 -6.419 -6.470 1.00 0.00 C ATOM 669 O GLN A 103 -10.005 -7.027 -5.856 1.00 0.00 O ATOM 670 CB GLN A 103 -13.272 -7.260 -6.701 1.00 0.00 C ATOM 671 CG GLN A 103 -12.809 -8.696 -6.983 1.00 0.00 C ATOM 672 CD GLN A 103 -12.773 -9.543 -5.726 1.00 0.00 C ATOM 673 OE1 GLN A 103 -13.599 -10.419 -5.517 1.00 0.00 O ATOM 674 NE2 GLN A 103 -11.817 -9.297 -4.859 1.00 0.00 N ATOM 0 H GLN A 103 -13.677 -4.955 -6.635 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.220 -6.673 -4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.205 -7.310 -6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.499 -6.785 -7.655 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.479 -9.156 -7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -11.816 -8.674 -7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.135 -8.563 -5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.757 -9.840 -3.998 1.00 0.00 H new ATOM 683 N GLU A 104 -10.625 -5.797 -7.613 1.00 0.00 N ATOM 684 CA GLU A 104 -9.287 -5.737 -8.175 1.00 0.00 C ATOM 685 C GLU A 104 -8.351 -4.920 -7.293 1.00 0.00 C ATOM 686 O GLU A 104 -7.253 -5.372 -6.978 1.00 0.00 O ATOM 687 CB GLU A 104 -9.343 -5.112 -9.558 1.00 0.00 C ATOM 688 CG GLU A 104 -10.089 -6.010 -10.541 1.00 0.00 C ATOM 689 CD GLU A 104 -10.214 -5.299 -11.870 1.00 0.00 C ATOM 690 OE1 GLU A 104 -10.573 -4.101 -11.877 1.00 0.00 O ATOM 691 OE2 GLU A 104 -9.803 -5.886 -12.890 1.00 0.00 O ATOM 0 H GLU A 104 -11.336 -5.324 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.901 -6.755 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.837 -4.142 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.331 -4.934 -9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.555 -6.952 -10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.077 -6.254 -10.151 1.00 0.00 H new ATOM 698 N VAL A 105 -8.774 -3.717 -6.896 1.00 0.00 N ATOM 699 CA VAL A 105 -7.924 -2.874 -6.069 1.00 0.00 C ATOM 700 C VAL A 105 -7.646 -3.572 -4.735 1.00 0.00 C ATOM 701 O VAL A 105 -6.500 -3.607 -4.314 1.00 0.00 O ATOM 702 CB VAL A 105 -8.451 -1.437 -5.922 1.00 0.00 C ATOM 703 CG1 VAL A 105 -8.485 -0.729 -7.283 1.00 0.00 C ATOM 704 CG2 VAL A 105 -9.846 -1.347 -5.314 1.00 0.00 C ATOM 0 H VAL A 105 -9.682 -3.316 -7.131 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.970 -2.745 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.754 -0.952 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.861 0.286 -7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.479 -0.694 -7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.140 -1.276 -7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.146 -0.301 -5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.553 -1.886 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.838 -1.790 -4.318 1.00 0.00 H new ATOM 714 N LEU A 106 -8.628 -4.232 -4.111 1.00 0.00 N ATOM 715 CA LEU A 106 -8.328 -4.959 -2.877 1.00 0.00 C ATOM 716 C LEU A 106 -7.374 -6.140 -3.119 1.00 0.00 C ATOM 717 O LEU A 106 -6.451 -6.351 -2.334 1.00 0.00 O ATOM 718 CB LEU A 106 -9.597 -5.284 -2.070 1.00 0.00 C ATOM 719 CG LEU A 106 -10.404 -6.517 -2.492 1.00 0.00 C ATOM 720 CD1 LEU A 106 -9.843 -7.815 -1.899 1.00 0.00 C ATOM 721 CD2 LEU A 106 -11.850 -6.348 -2.007 1.00 0.00 C ATOM 0 H LEU A 106 -9.598 -4.278 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.765 -4.295 -2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.309 -5.411 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.257 -4.418 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.348 -6.593 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.450 -8.658 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.816 -7.955 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.863 -7.756 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.436 -7.219 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.861 -6.252 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.281 -5.453 -2.454 1.00 0.00 H new ATOM 733 N ASN A 107 -7.538 -6.893 -4.217 1.00 0.00 N ATOM 734 CA ASN A 107 -6.599 -7.974 -4.544 1.00 0.00 C ATOM 735 C ASN A 107 -5.169 -7.434 -4.709 1.00 0.00 C ATOM 736 O ASN A 107 -4.235 -7.860 -4.025 1.00 0.00 O ATOM 737 CB ASN A 107 -7.035 -8.699 -5.828 1.00 0.00 C ATOM 738 CG ASN A 107 -8.378 -9.406 -5.723 1.00 0.00 C ATOM 739 OD1 ASN A 107 -8.820 -9.792 -4.648 1.00 0.00 O ATOM 740 ND2 ASN A 107 -9.049 -9.589 -6.851 1.00 0.00 N ATOM 0 H ASN A 107 -8.301 -6.776 -4.884 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.607 -8.683 -3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.081 -7.975 -6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.272 -9.431 -6.095 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.954 -10.060 -6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.661 -9.259 -7.735 1.00 0.00 H new ATOM 747 N TYR A 108 -5.009 -6.481 -5.627 1.00 0.00 N ATOM 748 CA TYR A 108 -3.757 -5.799 -5.920 1.00 0.00 C ATOM 749 C TYR A 108 -3.118 -5.194 -4.662 1.00 0.00 C ATOM 750 O TYR A 108 -1.987 -5.532 -4.316 1.00 0.00 O ATOM 751 CB TYR A 108 -4.036 -4.744 -6.994 1.00 0.00 C ATOM 752 CG TYR A 108 -2.869 -3.825 -7.285 1.00 0.00 C ATOM 753 CD1 TYR A 108 -1.818 -4.255 -8.114 1.00 0.00 C ATOM 754 CD2 TYR A 108 -2.762 -2.605 -6.594 1.00 0.00 C ATOM 755 CE1 TYR A 108 -0.644 -3.489 -8.207 1.00 0.00 C ATOM 756 CE2 TYR A 108 -1.570 -1.867 -6.659 1.00 0.00 C ATOM 757 CZ TYR A 108 -0.526 -2.292 -7.489 1.00 0.00 C ATOM 758 OH TYR A 108 0.707 -1.769 -7.290 1.00 0.00 O ATOM 0 H TYR A 108 -5.781 -6.153 -6.208 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.026 -6.516 -6.293 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.324 -5.249 -7.916 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.888 -4.141 -6.681 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.913 -5.171 -8.678 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.595 -2.237 -6.014 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.169 -3.824 -8.834 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.458 -0.970 -6.068 1.00 0.00 H new ATOM 0 HH TYR A 108 1.187 -1.728 -8.144 1.00 0.00 H new ATOM 768 N ILE A 109 -3.841 -4.323 -3.959 1.00 0.00 N ATOM 769 CA ILE A 109 -3.362 -3.671 -2.744 1.00 0.00 C ATOM 770 C ILE A 109 -2.894 -4.705 -1.719 1.00 0.00 C ATOM 771 O ILE A 109 -1.779 -4.615 -1.229 1.00 0.00 O ATOM 772 CB ILE A 109 -4.446 -2.784 -2.110 1.00 0.00 C ATOM 773 CG1 ILE A 109 -4.748 -1.573 -2.997 1.00 0.00 C ATOM 774 CG2 ILE A 109 -4.010 -2.278 -0.726 1.00 0.00 C ATOM 775 CD1 ILE A 109 -6.062 -0.931 -2.556 1.00 0.00 C ATOM 0 H ILE A 109 -4.787 -4.048 -4.222 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.522 -3.040 -3.033 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.341 -3.398 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -3.937 -0.848 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -4.814 -1.881 -4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -4.797 -1.654 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.828 -3.128 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.096 -1.693 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.276 -0.069 -3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.870 -1.657 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.979 -0.608 -1.518 1.00 0.00 H new ATOM 787 N GLU A 110 -3.721 -5.693 -1.372 1.00 0.00 N ATOM 788 CA GLU A 110 -3.359 -6.710 -0.384 1.00 0.00 C ATOM 789 C GLU A 110 -2.111 -7.516 -0.814 1.00 0.00 C ATOM 790 O GLU A 110 -1.208 -7.781 -0.007 1.00 0.00 O ATOM 791 CB GLU A 110 -4.586 -7.587 -0.103 1.00 0.00 C ATOM 792 CG GLU A 110 -5.683 -6.795 0.645 1.00 0.00 C ATOM 793 CD GLU A 110 -5.569 -6.853 2.159 1.00 0.00 C ATOM 794 OE1 GLU A 110 -4.713 -6.138 2.718 1.00 0.00 O ATOM 795 OE2 GLU A 110 -6.321 -7.668 2.736 1.00 0.00 O ATOM 0 H GLU A 110 -4.655 -5.810 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.068 -6.228 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.986 -7.968 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.289 -8.451 0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.643 -5.753 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.659 -7.181 0.350 1.00 0.00 H new ATOM 802 N THR A 111 -2.016 -7.869 -2.098 1.00 0.00 N ATOM 803 CA THR A 111 -0.806 -8.474 -2.670 1.00 0.00 C ATOM 804 C THR A 111 0.423 -7.568 -2.492 1.00 0.00 C ATOM 805 O THR A 111 1.420 -7.963 -1.888 1.00 0.00 O ATOM 806 CB THR A 111 -1.027 -8.839 -4.145 1.00 0.00 C ATOM 807 OG1 THR A 111 -2.138 -9.706 -4.236 1.00 0.00 O ATOM 808 CG2 THR A 111 0.169 -9.587 -4.732 1.00 0.00 C ATOM 0 H THR A 111 -2.772 -7.745 -2.771 1.00 0.00 H new ATOM 0 HA THR A 111 -0.603 -9.394 -2.121 1.00 0.00 H new ATOM 0 HB THR A 111 -1.177 -7.910 -4.695 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.966 -9.183 -4.190 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.029 -9.826 -5.777 1.00 0.00 H new ATOM 0 HG22 THR A 111 1.058 -8.960 -4.665 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.332 -10.509 -4.173 1.00 0.00 H new ATOM 816 N GLN A 112 0.355 -6.314 -2.930 1.00 0.00 N ATOM 817 CA GLN A 112 1.467 -5.380 -2.796 1.00 0.00 C ATOM 818 C GLN A 112 1.791 -5.066 -1.321 1.00 0.00 C ATOM 819 O GLN A 112 2.936 -4.904 -0.931 1.00 0.00 O ATOM 820 CB GLN A 112 1.128 -4.131 -3.604 1.00 0.00 C ATOM 821 CG GLN A 112 1.079 -4.425 -5.106 1.00 0.00 C ATOM 822 CD GLN A 112 2.467 -4.460 -5.725 1.00 0.00 C ATOM 823 OE1 GLN A 112 3.191 -5.438 -5.600 1.00 0.00 O ATOM 824 NE2 GLN A 112 2.871 -3.391 -6.379 1.00 0.00 N ATOM 0 H GLN A 112 -0.468 -5.919 -3.385 1.00 0.00 H new ATOM 0 HA GLN A 112 2.379 -5.829 -3.190 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.165 -3.737 -3.279 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.871 -3.358 -3.408 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.584 -5.382 -5.272 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.479 -3.664 -5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.252 -2.586 -6.472 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.803 -3.368 -6.793 1.00 0.00 H new ATOM 833 N ARG A 113 0.789 -5.056 -0.453 1.00 0.00 N ATOM 834 CA ARG A 113 0.919 -4.961 0.998 1.00 0.00 C ATOM 835 C ARG A 113 1.585 -6.222 1.595 1.00 0.00 C ATOM 836 O ARG A 113 2.105 -6.228 2.719 1.00 0.00 O ATOM 837 CB ARG A 113 -0.491 -4.692 1.526 1.00 0.00 C ATOM 838 CG ARG A 113 -0.571 -4.411 3.020 1.00 0.00 C ATOM 839 CD ARG A 113 -1.998 -3.943 3.335 1.00 0.00 C ATOM 840 NE ARG A 113 -2.218 -3.818 4.790 1.00 0.00 N ATOM 841 CZ ARG A 113 -3.003 -4.578 5.566 1.00 0.00 C ATOM 842 NH1 ARG A 113 -3.752 -5.567 5.120 1.00 0.00 N ATOM 843 NH2 ARG A 113 -3.050 -4.353 6.858 1.00 0.00 N ATOM 0 H ARG A 113 -0.184 -5.117 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 113 1.585 -4.152 1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.909 -3.841 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.119 -5.553 1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.329 -5.308 3.591 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.153 -3.647 3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.181 -2.982 2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.715 -4.650 2.917 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.714 -3.066 5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -3.757 -5.794 4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.326 -6.105 5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.491 -3.603 7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.645 -4.928 7.454 1.00 0.00 H new ATOM 857 N THR A 114 1.553 -7.335 0.865 1.00 0.00 N ATOM 858 CA THR A 114 2.391 -8.514 1.105 1.00 0.00 C ATOM 859 C THR A 114 3.856 -8.304 0.668 1.00 0.00 C ATOM 860 O THR A 114 4.760 -8.552 1.468 1.00 0.00 O ATOM 861 CB THR A 114 1.699 -9.792 0.624 1.00 0.00 C ATOM 862 OG1 THR A 114 0.443 -9.807 1.282 1.00 0.00 O ATOM 863 CG2 THR A 114 2.461 -11.051 1.039 1.00 0.00 C ATOM 0 H THR A 114 0.927 -7.447 0.068 1.00 0.00 H new ATOM 0 HA THR A 114 2.496 -8.663 2.180 1.00 0.00 H new ATOM 0 HB THR A 114 1.632 -9.793 -0.464 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.161 -9.169 0.848 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.933 -11.932 0.676 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.463 -11.027 0.612 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.531 -11.092 2.126 1.00 0.00 H new ATOM 871 N TYR A 115 4.095 -7.718 -0.509 1.00 0.00 N ATOM 872 CA TYR A 115 5.400 -7.115 -0.854 1.00 0.00 C ATOM 873 C TYR A 115 5.927 -6.214 0.282 1.00 0.00 C ATOM 874 O TYR A 115 6.943 -6.522 0.899 1.00 0.00 O ATOM 875 CB TYR A 115 5.312 -6.438 -2.246 1.00 0.00 C ATOM 876 CG TYR A 115 5.994 -5.089 -2.479 1.00 0.00 C ATOM 877 CD1 TYR A 115 7.396 -5.002 -2.577 1.00 0.00 C ATOM 878 CD2 TYR A 115 5.219 -3.977 -2.877 1.00 0.00 C ATOM 879 CE1 TYR A 115 8.006 -3.806 -3.009 1.00 0.00 C ATOM 880 CE2 TYR A 115 5.833 -2.786 -3.303 1.00 0.00 C ATOM 881 CZ TYR A 115 7.232 -2.684 -3.335 1.00 0.00 C ATOM 882 OH TYR A 115 7.820 -1.555 -3.807 1.00 0.00 O ATOM 0 H TYR A 115 3.398 -7.645 -1.250 1.00 0.00 H new ATOM 0 HA TYR A 115 6.159 -7.892 -0.945 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.720 -7.139 -2.975 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.255 -6.313 -2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 115 8.007 -5.855 -2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.141 -4.043 -2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.082 -3.754 -3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 115 5.225 -1.946 -3.607 1.00 0.00 H new ATOM 0 HH TYR A 115 7.662 -0.818 -3.181 1.00 0.00 H new ATOM 892 N TRP A 116 5.186 -5.180 0.672 1.00 0.00 N ATOM 893 CA TRP A 116 5.583 -4.278 1.747 1.00 0.00 C ATOM 894 C TRP A 116 5.971 -4.966 3.057 1.00 0.00 C ATOM 895 O TRP A 116 7.034 -4.669 3.594 1.00 0.00 O ATOM 896 CB TRP A 116 4.545 -3.173 1.948 1.00 0.00 C ATOM 897 CG TRP A 116 4.525 -2.210 0.810 1.00 0.00 C ATOM 898 CD1 TRP A 116 3.485 -1.941 -0.008 1.00 0.00 C ATOM 899 CD2 TRP A 116 5.645 -1.426 0.306 1.00 0.00 C ATOM 900 NE1 TRP A 116 3.895 -1.087 -1.010 1.00 0.00 N ATOM 901 CE2 TRP A 116 5.221 -0.751 -0.870 1.00 0.00 C ATOM 902 CE3 TRP A 116 6.981 -1.233 0.721 1.00 0.00 C ATOM 903 CZ2 TRP A 116 6.083 0.050 -1.621 1.00 0.00 C ATOM 904 CZ3 TRP A 116 7.840 -0.383 0.007 1.00 0.00 C ATOM 905 CH2 TRP A 116 7.385 0.268 -1.148 1.00 0.00 C ATOM 0 H TRP A 116 4.289 -4.944 0.248 1.00 0.00 H new ATOM 0 HA TRP A 116 6.513 -3.817 1.413 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.557 -3.620 2.062 1.00 0.00 H new ATOM 0 HB3 TRP A 116 4.761 -2.637 2.872 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.486 -2.334 0.105 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.292 -0.748 -1.759 1.00 0.00 H new ATOM 0 HE3 TRP A 116 7.346 -1.746 1.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 5.753 0.494 -2.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 8.853 -0.230 0.348 1.00 0.00 H new ATOM 0 HH2 TRP A 116 8.042 0.942 -1.677 1.00 0.00 H new ATOM 916 N LYS A 117 5.186 -5.910 3.591 1.00 0.00 N ATOM 917 CA LYS A 117 5.675 -6.618 4.785 1.00 0.00 C ATOM 918 C LYS A 117 7.027 -7.327 4.551 1.00 0.00 C ATOM 919 O LYS A 117 7.874 -7.304 5.442 1.00 0.00 O ATOM 920 CB LYS A 117 4.624 -7.539 5.428 1.00 0.00 C ATOM 921 CG LYS A 117 4.135 -8.629 4.476 1.00 0.00 C ATOM 922 CD LYS A 117 3.062 -9.556 5.077 1.00 0.00 C ATOM 923 CE LYS A 117 1.748 -8.864 5.475 1.00 0.00 C ATOM 924 NZ LYS A 117 1.054 -8.220 4.334 1.00 0.00 N ATOM 0 H LYS A 117 4.268 -6.190 3.245 1.00 0.00 H new ATOM 0 HA LYS A 117 5.865 -5.838 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.049 -8.003 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.774 -6.940 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.732 -8.159 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.987 -9.233 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.837 -10.341 4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.478 -10.044 5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.082 -9.598 5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.958 -8.111 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.263 -7.646 4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.722 -7.610 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.690 -8.952 3.691 1.00 0.00 H new ATOM 938 N LEU A 118 7.262 -7.911 3.369 1.00 0.00 N ATOM 939 CA LEU A 118 8.580 -8.465 3.040 1.00 0.00 C ATOM 940 C LEU A 118 9.664 -7.372 2.978 1.00 0.00 C ATOM 941 O LEU A 118 10.697 -7.479 3.641 1.00 0.00 O ATOM 942 CB LEU A 118 8.519 -9.300 1.752 1.00 0.00 C ATOM 943 CG LEU A 118 7.638 -10.553 1.901 1.00 0.00 C ATOM 944 CD1 LEU A 118 7.320 -11.109 0.511 1.00 0.00 C ATOM 945 CD2 LEU A 118 8.327 -11.648 2.721 1.00 0.00 C ATOM 0 H LEU A 118 6.564 -8.011 2.632 1.00 0.00 H new ATOM 0 HA LEU A 118 8.870 -9.136 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 118 8.132 -8.683 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 118 9.528 -9.601 1.470 1.00 0.00 H new ATOM 0 HG LEU A 118 6.729 -10.258 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 118 6.696 -11.997 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.789 -10.355 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.248 -11.372 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.668 -12.513 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 118 9.254 -11.942 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.550 -11.270 3.719 1.00 0.00 H new ATOM 957 N GLU A 119 9.440 -6.268 2.271 1.00 0.00 N ATOM 958 CA GLU A 119 10.371 -5.135 2.266 1.00 0.00 C ATOM 959 C GLU A 119 10.565 -4.497 3.648 1.00 0.00 C ATOM 960 O GLU A 119 11.630 -3.978 3.977 1.00 0.00 O ATOM 961 CB GLU A 119 9.950 -4.118 1.200 1.00 0.00 C ATOM 962 CG GLU A 119 9.891 -4.768 -0.193 1.00 0.00 C ATOM 963 CD GLU A 119 11.134 -5.559 -0.546 1.00 0.00 C ATOM 964 OE1 GLU A 119 12.248 -5.060 -0.287 1.00 0.00 O ATOM 965 OE2 GLU A 119 11.015 -6.723 -0.989 1.00 0.00 O ATOM 0 H GLU A 119 8.615 -6.130 1.688 1.00 0.00 H new ATOM 0 HA GLU A 119 11.356 -5.521 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.974 -3.704 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.655 -3.287 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.025 -5.428 -0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.741 -3.990 -0.942 1.00 0.00 H new ATOM 972 N ASN A 120 9.584 -4.629 4.535 1.00 0.00 N ATOM 973 CA ASN A 120 9.684 -4.207 5.927 1.00 0.00 C ATOM 974 C ASN A 120 10.251 -5.303 6.858 1.00 0.00 C ATOM 975 O ASN A 120 10.421 -5.083 8.059 1.00 0.00 O ATOM 976 CB ASN A 120 8.356 -3.604 6.383 1.00 0.00 C ATOM 977 CG ASN A 120 8.127 -2.237 5.756 1.00 0.00 C ATOM 978 OD1 ASN A 120 8.176 -1.220 6.429 1.00 0.00 O ATOM 979 ND2 ASN A 120 7.927 -2.181 4.459 1.00 0.00 N ATOM 0 H ASN A 120 8.680 -5.040 4.302 1.00 0.00 H new ATOM 0 HA ASN A 120 10.431 -3.417 5.998 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.538 -4.272 6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.348 -3.514 7.469 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.810 -1.278 4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.889 -3.041 3.911 1.00 0.00 H new ATOM 986 N GLN A 121 10.609 -6.464 6.307 1.00 0.00 N ATOM 987 CA GLN A 121 11.287 -7.578 6.972 1.00 0.00 C ATOM 988 C GLN A 121 12.767 -7.663 6.534 1.00 0.00 C ATOM 989 O GLN A 121 13.664 -7.530 7.360 1.00 0.00 O ATOM 990 CB GLN A 121 10.505 -8.856 6.624 1.00 0.00 C ATOM 991 CG GLN A 121 11.080 -10.162 7.192 1.00 0.00 C ATOM 992 CD GLN A 121 10.781 -11.329 6.257 1.00 0.00 C ATOM 993 OE1 GLN A 121 11.676 -11.868 5.628 1.00 0.00 O ATOM 994 NE2 GLN A 121 9.522 -11.693 6.096 1.00 0.00 N ATOM 0 H GLN A 121 10.422 -6.664 5.324 1.00 0.00 H new ATOM 0 HA GLN A 121 11.303 -7.438 8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.482 -8.744 6.984 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.453 -8.945 5.539 1.00 0.00 H new ATOM 0 HG2 GLN A 121 12.157 -10.063 7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.652 -10.357 8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 121 8.785 -11.232 6.630 1.00 0.00 H new ATOM 0 HE22 GLN A 121 9.286 -12.435 5.438 1.00 0.00 H new ATOM 1003 N LYS A 122 13.016 -7.855 5.231 1.00 0.00 N ATOM 1004 CA LYS A 122 14.282 -8.244 4.594 1.00 0.00 C ATOM 1005 C LYS A 122 15.587 -7.679 5.204 1.00 0.00 C ATOM 1006 O LYS A 122 15.646 -6.556 5.710 1.00 0.00 O ATOM 1007 CB LYS A 122 14.188 -7.909 3.096 1.00 0.00 C ATOM 1008 CG LYS A 122 13.339 -8.907 2.289 1.00 0.00 C ATOM 1009 CD LYS A 122 12.876 -8.276 0.963 1.00 0.00 C ATOM 1010 CE LYS A 122 13.996 -8.084 -0.073 1.00 0.00 C ATOM 1011 NZ LYS A 122 13.586 -7.109 -1.107 1.00 0.00 N ATOM 0 H LYS A 122 12.277 -7.732 4.539 1.00 0.00 H new ATOM 0 HA LYS A 122 14.382 -9.314 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 122 13.765 -6.911 2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 122 15.193 -7.879 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 122 13.920 -9.807 2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.472 -9.212 2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 122 12.098 -8.904 0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 122 12.423 -7.307 1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 122 14.902 -7.737 0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 122 14.234 -9.039 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 14.248 -7.153 -1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 12.627 -7.337 -1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 13.594 -6.151 -0.703 1.00 0.00 H new ATOM 1025 N LYS A 123 16.650 -8.480 5.118 1.00 0.00 N ATOM 1026 CA LYS A 123 17.943 -8.300 5.783 1.00 0.00 C ATOM 1027 C LYS A 123 18.754 -7.043 5.388 1.00 0.00 C ATOM 1028 O LYS A 123 19.618 -7.124 4.513 1.00 0.00 O ATOM 1029 CB LYS A 123 18.766 -9.588 5.564 1.00 0.00 C ATOM 1030 CG LYS A 123 19.081 -9.883 4.080 1.00 0.00 C ATOM 1031 CD LYS A 123 20.597 -9.880 3.776 1.00 0.00 C ATOM 1032 CE LYS A 123 20.870 -9.459 2.321 1.00 0.00 C ATOM 1033 NZ LYS A 123 20.795 -7.987 2.169 1.00 0.00 N ATOM 0 H LYS A 123 16.631 -9.325 4.547 1.00 0.00 H new ATOM 0 HA LYS A 123 17.727 -8.121 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 123 19.703 -9.507 6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 123 18.220 -10.433 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 123 18.663 -10.853 3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 123 18.588 -9.139 3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 123 21.106 -9.198 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 123 21.009 -10.874 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.856 -9.809 2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 123 20.145 -9.933 1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 20.018 -7.744 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 20.622 -7.551 3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.692 -7.632 1.781 1.00 0.00 H new ATOM 1047 N LEU A 124 18.574 -5.918 6.092 1.00 0.00 N ATOM 1048 CA LEU A 124 19.660 -4.934 6.241 1.00 0.00 C ATOM 1049 C LEU A 124 20.690 -5.431 7.264 1.00 0.00 C ATOM 1050 O LEU A 124 20.427 -5.447 8.467 1.00 0.00 O ATOM 1051 CB LEU A 124 19.154 -3.502 6.508 1.00 0.00 C ATOM 1052 CG LEU A 124 20.278 -2.508 6.893 1.00 0.00 C ATOM 1053 CD1 LEU A 124 21.525 -2.514 6.017 1.00 0.00 C ATOM 1054 CD2 LEU A 124 19.824 -1.054 6.852 1.00 0.00 C ATOM 0 H LEU A 124 17.704 -5.667 6.561 1.00 0.00 H new ATOM 0 HA LEU A 124 20.172 -4.852 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 124 18.644 -3.134 5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 124 18.415 -3.530 7.309 1.00 0.00 H new ATOM 0 HG LEU A 124 20.519 -2.871 7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 124 22.235 -1.776 6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 124 21.983 -3.503 6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 124 21.250 -2.268 4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 124 20.654 -0.406 7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 124 19.492 -0.805 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 124 19.000 -0.910 7.551 1.00 0.00 H new ATOM 1066 N TYR A 125 21.870 -5.835 6.800 1.00 0.00 N ATOM 1067 CA TYR A 125 22.988 -6.340 7.610 1.00 0.00 C ATOM 1068 C TYR A 125 23.678 -5.281 8.510 1.00 0.00 C ATOM 1069 O TYR A 125 24.848 -5.418 8.849 1.00 0.00 O ATOM 1070 CB TYR A 125 23.964 -7.072 6.665 1.00 0.00 C ATOM 1071 CG TYR A 125 24.237 -6.385 5.332 1.00 0.00 C ATOM 1072 CD1 TYR A 125 24.704 -5.056 5.294 1.00 0.00 C ATOM 1073 CD2 TYR A 125 23.955 -7.056 4.124 1.00 0.00 C ATOM 1074 CE1 TYR A 125 24.820 -4.388 4.064 1.00 0.00 C ATOM 1075 CE2 TYR A 125 24.081 -6.384 2.892 1.00 0.00 C ATOM 1076 CZ TYR A 125 24.510 -5.049 2.868 1.00 0.00 C ATOM 1077 OH TYR A 125 24.581 -4.373 1.694 1.00 0.00 O ATOM 0 H TYR A 125 22.088 -5.821 5.804 1.00 0.00 H new ATOM 0 HA TYR A 125 22.588 -7.037 8.347 1.00 0.00 H new ATOM 0 HB2 TYR A 125 24.913 -7.205 7.185 1.00 0.00 H new ATOM 0 HB3 TYR A 125 23.568 -8.068 6.465 1.00 0.00 H new ATOM 0 HD1 TYR A 125 24.973 -4.551 6.210 1.00 0.00 H new ATOM 0 HD2 TYR A 125 23.641 -8.089 4.143 1.00 0.00 H new ATOM 0 HE1 TYR A 125 25.150 -3.360 4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 125 23.848 -6.895 1.970 1.00 0.00 H new ATOM 0 HH TYR A 125 24.212 -4.927 0.975 1.00 0.00 H new ATOM 1087 N ARG A 126 22.952 -4.239 8.930 1.00 0.00 N ATOM 1088 CA ARG A 126 23.404 -3.132 9.782 1.00 0.00 C ATOM 1089 C ARG A 126 24.475 -2.235 9.125 1.00 0.00 C ATOM 1090 O ARG A 126 24.235 -1.055 8.897 1.00 0.00 O ATOM 1091 CB ARG A 126 23.850 -3.621 11.170 1.00 0.00 C ATOM 1092 CG ARG A 126 22.860 -4.533 11.916 1.00 0.00 C ATOM 1093 CD ARG A 126 21.489 -3.892 12.171 1.00 0.00 C ATOM 1094 NE ARG A 126 20.539 -4.220 11.089 1.00 0.00 N ATOM 1095 CZ ARG A 126 19.208 -4.103 11.111 1.00 0.00 C ATOM 1096 NH1 ARG A 126 18.559 -3.514 12.094 1.00 0.00 N ATOM 1097 NH2 ARG A 126 18.500 -4.606 10.125 1.00 0.00 N ATOM 0 H ARG A 126 21.971 -4.140 8.668 1.00 0.00 H new ATOM 0 HA ARG A 126 22.529 -2.496 9.916 1.00 0.00 H new ATOM 0 HB2 ARG A 126 24.793 -4.156 11.059 1.00 0.00 H new ATOM 0 HB3 ARG A 126 24.050 -2.749 11.793 1.00 0.00 H new ATOM 0 HG2 ARG A 126 22.720 -5.448 11.340 1.00 0.00 H new ATOM 0 HG3 ARG A 126 23.298 -4.822 12.872 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.093 -4.241 13.125 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.598 -2.810 12.247 1.00 0.00 H new ATOM 0 HE ARG A 126 20.946 -4.577 10.225 1.00 0.00 H new ATOM 0 HH11 ARG A 126 19.074 -3.123 12.883 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.541 -3.449 12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.967 -5.081 9.352 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.483 -4.522 10.132 1.00 0.00 H new ATOM 1284 N LEU B 68 16.761 14.873 3.702 1.00 0.00 N ATOM 1285 CA LEU B 68 17.671 13.739 3.477 1.00 0.00 C ATOM 1286 C LEU B 68 19.122 14.242 3.378 1.00 0.00 C ATOM 1287 O LEU B 68 19.494 14.883 2.387 1.00 0.00 O ATOM 1288 CB LEU B 68 17.222 12.947 2.229 1.00 0.00 C ATOM 1289 CG LEU B 68 16.720 11.522 2.551 1.00 0.00 C ATOM 1290 CD1 LEU B 68 15.452 11.553 3.412 1.00 0.00 C ATOM 1291 CD2 LEU B 68 16.402 10.785 1.245 1.00 0.00 C ATOM 0 HA LEU B 68 17.631 13.052 4.322 1.00 0.00 H new ATOM 0 HB2 LEU B 68 16.428 13.498 1.725 1.00 0.00 H new ATOM 0 HB3 LEU B 68 18.057 12.881 1.531 1.00 0.00 H new ATOM 0 HG LEU B 68 17.507 11.010 3.104 1.00 0.00 H new ATOM 0 HD11 LEU B 68 15.128 10.533 3.619 1.00 0.00 H new ATOM 0 HD12 LEU B 68 15.662 12.064 4.351 1.00 0.00 H new ATOM 0 HD13 LEU B 68 14.663 12.084 2.879 1.00 0.00 H new ATOM 0 HD21 LEU B 68 16.048 9.779 1.472 1.00 0.00 H new ATOM 0 HD22 LEU B 68 15.630 11.328 0.700 1.00 0.00 H new ATOM 0 HD23 LEU B 68 17.302 10.723 0.634 1.00 0.00 H new ATOM 1303 N SER B 69 19.888 14.030 4.442 1.00 0.00 N ATOM 1304 CA SER B 69 21.282 14.385 4.664 1.00 0.00 C ATOM 1305 C SER B 69 22.121 13.138 5.007 1.00 0.00 C ATOM 1306 O SER B 69 21.664 12.013 4.841 1.00 0.00 O ATOM 1307 CB SER B 69 21.334 15.404 5.808 1.00 0.00 C ATOM 1308 OG SER B 69 22.613 16.019 5.869 1.00 0.00 O ATOM 0 H SER B 69 19.504 13.553 5.258 1.00 0.00 H new ATOM 0 HA SER B 69 21.704 14.816 3.756 1.00 0.00 H new ATOM 0 HB2 SER B 69 20.566 16.163 5.662 1.00 0.00 H new ATOM 0 HB3 SER B 69 21.117 14.909 6.754 1.00 0.00 H new ATOM 0 HG SER B 69 22.629 16.668 6.603 1.00 0.00 H new ATOM 1314 N ALA B 70 23.356 13.354 5.465 1.00 0.00 N ATOM 1315 CA ALA B 70 24.401 12.337 5.602 1.00 0.00 C ATOM 1316 C ALA B 70 23.919 10.958 6.093 1.00 0.00 C ATOM 1317 O ALA B 70 23.913 9.998 5.327 1.00 0.00 O ATOM 1318 CB ALA B 70 25.518 12.895 6.492 1.00 0.00 C ATOM 0 H ALA B 70 23.668 14.279 5.762 1.00 0.00 H new ATOM 0 HA ALA B 70 24.772 12.133 4.598 1.00 0.00 H new ATOM 0 HB1 ALA B 70 26.303 12.147 6.602 1.00 0.00 H new ATOM 0 HB2 ALA B 70 25.934 13.793 6.034 1.00 0.00 H new ATOM 0 HB3 ALA B 70 25.112 13.142 7.473 1.00 0.00 H new ATOM 1324 N CYS B 71 23.550 10.842 7.367 1.00 0.00 N ATOM 1325 CA CYS B 71 23.266 9.551 7.983 1.00 0.00 C ATOM 1326 C CYS B 71 22.040 8.836 7.395 1.00 0.00 C ATOM 1327 O CYS B 71 22.142 7.674 7.010 1.00 0.00 O ATOM 1328 CB CYS B 71 23.207 9.704 9.505 1.00 0.00 C ATOM 1329 SG CYS B 71 21.837 10.741 10.046 1.00 0.00 S ATOM 0 H CYS B 71 23.440 11.637 7.997 1.00 0.00 H new ATOM 0 HA CYS B 71 24.092 8.882 7.740 1.00 0.00 H new ATOM 0 HB2 CYS B 71 23.114 8.719 9.962 1.00 0.00 H new ATOM 0 HB3 CYS B 71 24.144 10.133 9.860 1.00 0.00 H new ATOM 0 HG CYS B 71 22.169 11.364 11.138 1.00 0.00 H new ATOM 1335 N GLU B 72 20.883 9.492 7.283 1.00 0.00 N ATOM 1336 CA GLU B 72 19.695 8.860 6.720 1.00 0.00 C ATOM 1337 C GLU B 72 19.886 8.503 5.238 1.00 0.00 C ATOM 1338 O GLU B 72 19.489 7.426 4.810 1.00 0.00 O ATOM 1339 CB GLU B 72 18.425 9.678 7.023 1.00 0.00 C ATOM 1340 CG GLU B 72 18.316 11.041 6.313 1.00 0.00 C ATOM 1341 CD GLU B 72 19.045 12.202 6.960 1.00 0.00 C ATOM 1342 OE1 GLU B 72 20.055 12.027 7.664 1.00 0.00 O ATOM 1343 OE2 GLU B 72 18.594 13.339 6.728 1.00 0.00 O ATOM 0 H GLU B 72 20.747 10.460 7.575 1.00 0.00 H new ATOM 0 HA GLU B 72 19.545 7.903 7.220 1.00 0.00 H new ATOM 0 HB2 GLU B 72 17.557 9.078 6.751 1.00 0.00 H new ATOM 0 HB3 GLU B 72 18.372 9.845 8.099 1.00 0.00 H new ATOM 0 HG2 GLU B 72 18.692 10.927 5.296 1.00 0.00 H new ATOM 0 HG3 GLU B 72 17.260 11.302 6.236 1.00 0.00 H new ATOM 1350 N VAL B 73 20.550 9.353 4.449 1.00 0.00 N ATOM 1351 CA VAL B 73 20.859 9.036 3.053 1.00 0.00 C ATOM 1352 C VAL B 73 21.841 7.858 2.948 1.00 0.00 C ATOM 1353 O VAL B 73 21.628 6.947 2.154 1.00 0.00 O ATOM 1354 CB VAL B 73 21.358 10.286 2.313 1.00 0.00 C ATOM 1355 CG1 VAL B 73 21.727 9.976 0.863 1.00 0.00 C ATOM 1356 CG2 VAL B 73 20.255 11.345 2.245 1.00 0.00 C ATOM 0 H VAL B 73 20.884 10.267 4.755 1.00 0.00 H new ATOM 0 HA VAL B 73 19.941 8.714 2.561 1.00 0.00 H new ATOM 0 HB VAL B 73 22.228 10.638 2.867 1.00 0.00 H new ATOM 0 HG11 VAL B 73 22.075 10.886 0.374 1.00 0.00 H new ATOM 0 HG12 VAL B 73 22.518 9.227 0.841 1.00 0.00 H new ATOM 0 HG13 VAL B 73 20.851 9.594 0.338 1.00 0.00 H new ATOM 0 HG21 VAL B 73 20.626 12.224 1.717 1.00 0.00 H new ATOM 0 HG22 VAL B 73 19.394 10.940 1.714 1.00 0.00 H new ATOM 0 HG23 VAL B 73 19.958 11.627 3.255 1.00 0.00 H new ATOM 1366 N ALA B 74 22.892 7.837 3.770 1.00 0.00 N ATOM 1367 CA ALA B 74 23.806 6.696 3.823 1.00 0.00 C ATOM 1368 C ALA B 74 23.059 5.410 4.201 1.00 0.00 C ATOM 1369 O ALA B 74 23.233 4.354 3.605 1.00 0.00 O ATOM 1370 CB ALA B 74 24.934 6.997 4.815 1.00 0.00 C ATOM 0 H ALA B 74 23.131 8.597 4.407 1.00 0.00 H new ATOM 0 HA ALA B 74 24.238 6.537 2.835 1.00 0.00 H new ATOM 0 HB1 ALA B 74 25.617 6.149 4.857 1.00 0.00 H new ATOM 0 HB2 ALA B 74 25.477 7.885 4.490 1.00 0.00 H new ATOM 0 HB3 ALA B 74 24.511 7.172 5.804 1.00 0.00 H new ATOM 1376 N VAL B 75 22.181 5.492 5.196 1.00 0.00 N ATOM 1377 CA VAL B 75 21.414 4.338 5.645 1.00 0.00 C ATOM 1378 C VAL B 75 20.363 3.895 4.598 1.00 0.00 C ATOM 1379 O VAL B 75 20.126 2.698 4.429 1.00 0.00 O ATOM 1380 CB VAL B 75 20.898 4.603 7.070 1.00 0.00 C ATOM 1381 CG1 VAL B 75 19.824 3.599 7.481 1.00 0.00 C ATOM 1382 CG2 VAL B 75 22.086 4.495 8.035 1.00 0.00 C ATOM 0 H VAL B 75 21.983 6.352 5.708 1.00 0.00 H new ATOM 0 HA VAL B 75 22.049 3.455 5.721 1.00 0.00 H new ATOM 0 HB VAL B 75 20.450 5.596 7.101 1.00 0.00 H new ATOM 0 HG11 VAL B 75 19.487 3.821 8.493 1.00 0.00 H new ATOM 0 HG12 VAL B 75 18.980 3.667 6.794 1.00 0.00 H new ATOM 0 HG13 VAL B 75 20.237 2.591 7.449 1.00 0.00 H new ATOM 0 HG21 VAL B 75 21.745 4.679 9.054 1.00 0.00 H new ATOM 0 HG22 VAL B 75 22.517 3.496 7.972 1.00 0.00 H new ATOM 0 HG23 VAL B 75 22.841 5.233 7.766 1.00 0.00 H new ATOM 1392 N LEU B 76 19.783 4.829 3.835 1.00 0.00 N ATOM 1393 CA LEU B 76 18.990 4.528 2.635 1.00 0.00 C ATOM 1394 C LEU B 76 19.771 3.682 1.610 1.00 0.00 C ATOM 1395 O LEU B 76 19.240 2.763 0.986 1.00 0.00 O ATOM 1396 CB LEU B 76 18.429 5.807 2.005 1.00 0.00 C ATOM 1397 CG LEU B 76 17.273 6.509 2.759 1.00 0.00 C ATOM 1398 CD1 LEU B 76 16.120 6.760 1.783 1.00 0.00 C ATOM 1399 CD2 LEU B 76 16.690 5.784 3.980 1.00 0.00 C ATOM 0 H LEU B 76 19.851 5.827 4.035 1.00 0.00 H new ATOM 0 HA LEU B 76 18.146 3.919 2.957 1.00 0.00 H new ATOM 0 HB2 LEU B 76 19.247 6.520 1.898 1.00 0.00 H new ATOM 0 HB3 LEU B 76 18.082 5.567 1.000 1.00 0.00 H new ATOM 0 HG LEU B 76 17.733 7.416 3.151 1.00 0.00 H new ATOM 0 HD11 LEU B 76 15.301 7.254 2.306 1.00 0.00 H new ATOM 0 HD12 LEU B 76 16.465 7.395 0.967 1.00 0.00 H new ATOM 0 HD13 LEU B 76 15.771 5.809 1.380 1.00 0.00 H new ATOM 0 HD21 LEU B 76 15.890 6.385 4.412 1.00 0.00 H new ATOM 0 HD22 LEU B 76 16.292 4.817 3.673 1.00 0.00 H new ATOM 0 HD23 LEU B 76 17.474 5.635 4.723 1.00 0.00 H new ATOM 1411 N ASP B 77 21.058 3.973 1.467 1.00 0.00 N ATOM 1412 CA ASP B 77 21.935 3.215 0.582 1.00 0.00 C ATOM 1413 C ASP B 77 22.191 1.821 1.172 1.00 0.00 C ATOM 1414 O ASP B 77 21.952 0.814 0.509 1.00 0.00 O ATOM 1415 CB ASP B 77 23.214 4.008 0.288 1.00 0.00 C ATOM 1416 CG ASP B 77 24.239 3.121 -0.389 1.00 0.00 C ATOM 1417 OD1 ASP B 77 24.987 2.462 0.362 1.00 0.00 O ATOM 1418 OD2 ASP B 77 24.231 3.066 -1.634 1.00 0.00 O ATOM 0 H ASP B 77 21.522 4.737 1.958 1.00 0.00 H new ATOM 0 HA ASP B 77 21.453 3.059 -0.383 1.00 0.00 H new ATOM 0 HB2 ASP B 77 22.983 4.861 -0.350 1.00 0.00 H new ATOM 0 HB3 ASP B 77 23.624 4.407 1.216 1.00 0.00 H new ATOM 1423 N LEU B 78 22.554 1.728 2.457 1.00 0.00 N ATOM 1424 CA LEU B 78 22.672 0.441 3.121 1.00 0.00 C ATOM 1425 C LEU B 78 21.407 -0.411 2.941 1.00 0.00 C ATOM 1426 O LEU B 78 21.513 -1.609 2.676 1.00 0.00 O ATOM 1427 CB LEU B 78 23.026 0.618 4.600 1.00 0.00 C ATOM 1428 CG LEU B 78 24.350 1.344 4.877 1.00 0.00 C ATOM 1429 CD1 LEU B 78 24.642 1.295 6.379 1.00 0.00 C ATOM 1430 CD2 LEU B 78 25.534 0.732 4.117 1.00 0.00 C ATOM 0 H LEU B 78 22.769 2.530 3.049 1.00 0.00 H new ATOM 0 HA LEU B 78 23.490 -0.101 2.646 1.00 0.00 H new ATOM 0 HB2 LEU B 78 22.220 1.169 5.086 1.00 0.00 H new ATOM 0 HB3 LEU B 78 23.066 -0.366 5.067 1.00 0.00 H new ATOM 0 HG LEU B 78 24.236 2.371 4.530 1.00 0.00 H new ATOM 0 HD11 LEU B 78 25.581 1.809 6.584 1.00 0.00 H new ATOM 0 HD12 LEU B 78 23.834 1.785 6.923 1.00 0.00 H new ATOM 0 HD13 LEU B 78 24.719 0.256 6.701 1.00 0.00 H new ATOM 0 HD21 LEU B 78 26.443 1.286 4.352 1.00 0.00 H new ATOM 0 HD22 LEU B 78 25.657 -0.310 4.414 1.00 0.00 H new ATOM 0 HD23 LEU B 78 25.344 0.784 3.045 1.00 0.00 H new ATOM 1442 N TYR B 79 20.204 0.172 3.048 1.00 0.00 N ATOM 1443 CA TYR B 79 18.970 -0.536 2.726 1.00 0.00 C ATOM 1444 C TYR B 79 18.975 -1.153 1.319 1.00 0.00 C ATOM 1445 O TYR B 79 18.667 -2.337 1.209 1.00 0.00 O ATOM 1446 CB TYR B 79 17.735 0.361 2.876 1.00 0.00 C ATOM 1447 CG TYR B 79 17.270 0.596 4.292 1.00 0.00 C ATOM 1448 CD1 TYR B 79 16.944 -0.481 5.137 1.00 0.00 C ATOM 1449 CD2 TYR B 79 17.150 1.904 4.772 1.00 0.00 C ATOM 1450 CE1 TYR B 79 16.787 -0.246 6.514 1.00 0.00 C ATOM 1451 CE2 TYR B 79 17.021 2.127 6.142 1.00 0.00 C ATOM 1452 CZ TYR B 79 17.021 1.045 7.014 1.00 0.00 C ATOM 1453 OH TYR B 79 17.011 1.264 8.354 1.00 0.00 O ATOM 0 H TYR B 79 20.066 1.134 3.356 1.00 0.00 H new ATOM 0 HA TYR B 79 18.917 -1.348 3.451 1.00 0.00 H new ATOM 0 HB2 TYR B 79 17.951 1.326 2.418 1.00 0.00 H new ATOM 0 HB3 TYR B 79 16.915 -0.083 2.312 1.00 0.00 H new ATOM 0 HD1 TYR B 79 16.816 -1.474 4.733 1.00 0.00 H new ATOM 0 HD2 TYR B 79 17.157 2.737 4.085 1.00 0.00 H new ATOM 0 HE1 TYR B 79 16.491 -1.046 7.177 1.00 0.00 H new ATOM 0 HE2 TYR B 79 16.922 3.133 6.523 1.00 0.00 H new ATOM 0 HH TYR B 79 17.914 1.138 8.713 1.00 0.00 H new ATOM 1463 N GLU B 80 19.312 -0.421 0.251 1.00 0.00 N ATOM 1464 CA GLU B 80 19.226 -0.972 -1.112 1.00 0.00 C ATOM 1465 C GLU B 80 20.453 -1.790 -1.559 1.00 0.00 C ATOM 1466 O GLU B 80 20.305 -2.830 -2.206 1.00 0.00 O ATOM 1467 CB GLU B 80 18.763 0.092 -2.110 1.00 0.00 C ATOM 1468 CG GLU B 80 17.272 0.447 -1.895 1.00 0.00 C ATOM 1469 CD GLU B 80 16.249 -0.561 -2.435 1.00 0.00 C ATOM 1470 OE1 GLU B 80 16.466 -1.786 -2.280 1.00 0.00 O ATOM 1471 OE2 GLU B 80 15.233 -0.089 -2.988 1.00 0.00 O ATOM 0 H GLU B 80 19.643 0.543 0.299 1.00 0.00 H new ATOM 0 HA GLU B 80 18.446 -1.733 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU B 80 19.373 0.989 -1.999 1.00 0.00 H new ATOM 0 HB3 GLU B 80 18.911 -0.271 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU B 80 17.100 0.569 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU B 80 17.080 1.413 -2.361 1.00 0.00 H new ATOM 1478 N GLN B 81 21.652 -1.469 -1.077 1.00 0.00 N ATOM 1479 CA GLN B 81 22.750 -2.444 -1.017 1.00 0.00 C ATOM 1480 C GLN B 81 22.334 -3.712 -0.241 1.00 0.00 C ATOM 1481 O GLN B 81 22.795 -4.826 -0.506 1.00 0.00 O ATOM 1482 CB GLN B 81 24.006 -1.820 -0.394 1.00 0.00 C ATOM 1483 CG GLN B 81 24.638 -0.723 -1.268 1.00 0.00 C ATOM 1484 CD GLN B 81 26.141 -0.628 -1.027 1.00 0.00 C ATOM 1485 OE1 GLN B 81 26.891 -1.524 -1.396 1.00 0.00 O ATOM 1486 NE2 GLN B 81 26.621 0.421 -0.392 1.00 0.00 N ATOM 0 H GLN B 81 21.892 -0.544 -0.722 1.00 0.00 H new ATOM 0 HA GLN B 81 22.984 -2.737 -2.040 1.00 0.00 H new ATOM 0 HB2 GLN B 81 23.750 -1.398 0.578 1.00 0.00 H new ATOM 0 HB3 GLN B 81 24.743 -2.603 -0.217 1.00 0.00 H new ATOM 0 HG2 GLN B 81 24.448 -0.937 -2.320 1.00 0.00 H new ATOM 0 HG3 GLN B 81 24.170 0.236 -1.048 1.00 0.00 H new ATOM 0 HE21 GLN B 81 25.992 1.164 -0.087 1.00 0.00 H new ATOM 0 HE22 GLN B 81 27.621 0.490 -0.205 1.00 0.00 H new ATOM 1495 N SER B 82 21.434 -3.569 0.735 1.00 0.00 N ATOM 1496 CA SER B 82 20.758 -4.688 1.383 1.00 0.00 C ATOM 1497 C SER B 82 19.537 -5.241 0.624 1.00 0.00 C ATOM 1498 O SER B 82 19.140 -6.376 0.901 1.00 0.00 O ATOM 1499 CB SER B 82 20.418 -4.351 2.825 1.00 0.00 C ATOM 1500 OG SER B 82 21.634 -4.325 3.546 1.00 0.00 O ATOM 0 H SER B 82 21.153 -2.659 1.100 1.00 0.00 H new ATOM 0 HA SER B 82 21.477 -5.507 1.367 1.00 0.00 H new ATOM 0 HB2 SER B 82 19.914 -3.387 2.886 1.00 0.00 H new ATOM 0 HB3 SER B 82 19.738 -5.093 3.244 1.00 0.00 H new ATOM 0 HG SER B 82 22.329 -4.787 3.032 1.00 0.00 H new ATOM 1506 N ASN B 83 18.984 -4.479 -0.317 1.00 0.00 N ATOM 1507 CA ASN B 83 17.898 -4.784 -1.256 1.00 0.00 C ATOM 1508 C ASN B 83 16.501 -4.585 -0.627 1.00 0.00 C ATOM 1509 O ASN B 83 15.650 -5.474 -0.716 1.00 0.00 O ATOM 1510 CB ASN B 83 18.102 -6.168 -1.906 1.00 0.00 C ATOM 1511 CG ASN B 83 19.568 -6.542 -2.124 1.00 0.00 C ATOM 1512 OD1 ASN B 83 19.998 -7.621 -1.728 1.00 0.00 O ATOM 1513 ND2 ASN B 83 20.384 -5.656 -2.668 1.00 0.00 N ATOM 0 H ASN B 83 19.321 -3.527 -0.458 1.00 0.00 H new ATOM 0 HA ASN B 83 17.940 -4.057 -2.067 1.00 0.00 H new ATOM 0 HB2 ASN B 83 17.634 -6.926 -1.278 1.00 0.00 H new ATOM 0 HB3 ASN B 83 17.586 -6.187 -2.866 1.00 0.00 H new ATOM 0 HD21 ASN B 83 21.378 -5.867 -2.761 1.00 0.00 H new ATOM 0 HD22 ASN B 83 20.020 -4.761 -2.995 1.00 0.00 H new ATOM 1520 N ILE B 84 16.302 -3.473 0.087 1.00 0.00 N ATOM 1521 CA ILE B 84 15.083 -3.066 0.794 1.00 0.00 C ATOM 1522 C ILE B 84 14.593 -1.690 0.289 1.00 0.00 C ATOM 1523 O ILE B 84 15.152 -0.672 0.693 1.00 0.00 O ATOM 1524 CB ILE B 84 15.371 -2.972 2.319 1.00 0.00 C ATOM 1525 CG1 ILE B 84 15.526 -4.325 3.034 1.00 0.00 C ATOM 1526 CG2 ILE B 84 14.252 -2.220 3.069 1.00 0.00 C ATOM 1527 CD1 ILE B 84 16.731 -5.160 2.609 1.00 0.00 C ATOM 0 H ILE B 84 17.044 -2.782 0.194 1.00 0.00 H new ATOM 0 HA ILE B 84 14.310 -3.810 0.604 1.00 0.00 H new ATOM 0 HB ILE B 84 16.322 -2.440 2.354 1.00 0.00 H new ATOM 0 HG12 ILE B 84 15.592 -4.144 4.107 1.00 0.00 H new ATOM 0 HG13 ILE B 84 14.622 -4.911 2.865 1.00 0.00 H new ATOM 0 HG21 ILE B 84 14.492 -2.176 4.131 1.00 0.00 H new ATOM 0 HG22 ILE B 84 14.166 -1.208 2.674 1.00 0.00 H new ATOM 0 HG23 ILE B 84 13.306 -2.744 2.932 1.00 0.00 H new ATOM 0 HD11 ILE B 84 16.745 -6.092 3.174 1.00 0.00 H new ATOM 0 HD12 ILE B 84 16.662 -5.382 1.544 1.00 0.00 H new ATOM 0 HD13 ILE B 84 17.647 -4.603 2.805 1.00 0.00 H new ATOM 1539 N ARG B 85 13.471 -1.615 -0.438 1.00 0.00 N ATOM 1540 CA ARG B 85 12.803 -0.317 -0.603 1.00 0.00 C ATOM 1541 C ARG B 85 12.164 0.122 0.727 1.00 0.00 C ATOM 1542 O ARG B 85 11.262 -0.533 1.253 1.00 0.00 O ATOM 1543 CB ARG B 85 11.788 -0.311 -1.764 1.00 0.00 C ATOM 1544 CG ARG B 85 11.095 1.067 -1.864 1.00 0.00 C ATOM 1545 CD ARG B 85 10.255 1.264 -3.136 1.00 0.00 C ATOM 1546 NE ARG B 85 9.416 2.487 -3.020 1.00 0.00 N ATOM 1547 CZ ARG B 85 8.544 2.988 -3.908 1.00 0.00 C ATOM 1548 NH1 ARG B 85 8.357 2.435 -5.089 1.00 0.00 N ATOM 1549 NH2 ARG B 85 7.865 4.076 -3.616 1.00 0.00 N ATOM 0 H ARG B 85 13.021 -2.402 -0.904 1.00 0.00 H new ATOM 0 HA ARG B 85 13.564 0.414 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG B 85 12.296 -0.539 -2.701 1.00 0.00 H new ATOM 0 HB3 ARG B 85 11.042 -1.090 -1.608 1.00 0.00 H new ATOM 0 HG2 ARG B 85 10.452 1.201 -0.994 1.00 0.00 H new ATOM 0 HG3 ARG B 85 11.856 1.847 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG B 85 10.910 1.346 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG B 85 9.619 0.393 -3.298 1.00 0.00 H new ATOM 0 HE ARG B 85 9.517 3.013 -2.152 1.00 0.00 H new ATOM 0 HH11 ARG B 85 8.883 1.601 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG B 85 7.686 2.841 -5.742 1.00 0.00 H new ATOM 0 HH21 ARG B 85 8.002 4.537 -2.716 1.00 0.00 H new ATOM 0 HH22 ARG B 85 7.201 4.459 -4.289 1.00 0.00 H new ATOM 1563 N ILE B 86 12.611 1.248 1.282 1.00 0.00 N ATOM 1564 CA ILE B 86 11.917 1.939 2.371 1.00 0.00 C ATOM 1565 C ILE B 86 10.610 2.580 1.866 1.00 0.00 C ATOM 1566 O ILE B 86 10.654 3.298 0.869 1.00 0.00 O ATOM 1567 CB ILE B 86 12.869 2.963 3.012 1.00 0.00 C ATOM 1568 CG1 ILE B 86 14.014 2.278 3.782 1.00 0.00 C ATOM 1569 CG2 ILE B 86 12.126 3.933 3.938 1.00 0.00 C ATOM 1570 CD1 ILE B 86 13.572 1.440 4.994 1.00 0.00 C ATOM 0 H ILE B 86 13.471 1.711 0.987 1.00 0.00 H new ATOM 0 HA ILE B 86 11.630 1.222 3.140 1.00 0.00 H new ATOM 0 HB ILE B 86 13.300 3.535 2.190 1.00 0.00 H new ATOM 0 HG12 ILE B 86 14.560 1.633 3.093 1.00 0.00 H new ATOM 0 HG13 ILE B 86 14.711 3.043 4.123 1.00 0.00 H new ATOM 0 HG21 ILE B 86 12.835 4.639 4.370 1.00 0.00 H new ATOM 0 HG22 ILE B 86 11.374 4.477 3.367 1.00 0.00 H new ATOM 0 HG23 ILE B 86 11.640 3.373 4.737 1.00 0.00 H new ATOM 0 HD11 ILE B 86 14.448 0.999 5.470 1.00 0.00 H new ATOM 0 HD12 ILE B 86 13.054 2.079 5.709 1.00 0.00 H new ATOM 0 HD13 ILE B 86 12.901 0.648 4.663 1.00 0.00 H new ATOM 1582 N PRO B 87 9.459 2.327 2.519 1.00 0.00 N ATOM 1583 CA PRO B 87 8.257 3.111 2.285 1.00 0.00 C ATOM 1584 C PRO B 87 8.513 4.601 2.532 1.00 0.00 C ATOM 1585 O PRO B 87 9.010 4.978 3.593 1.00 0.00 O ATOM 1586 CB PRO B 87 7.200 2.579 3.263 1.00 0.00 C ATOM 1587 CG PRO B 87 7.686 1.173 3.598 1.00 0.00 C ATOM 1588 CD PRO B 87 9.208 1.297 3.516 1.00 0.00 C ATOM 0 HA PRO B 87 7.928 3.017 1.250 1.00 0.00 H new ATOM 0 HB2 PRO B 87 7.132 3.201 4.155 1.00 0.00 H new ATOM 0 HB3 PRO B 87 6.209 2.562 2.810 1.00 0.00 H new ATOM 0 HG2 PRO B 87 7.361 0.861 4.591 1.00 0.00 H new ATOM 0 HG3 PRO B 87 7.304 0.436 2.891 1.00 0.00 H new ATOM 0 HD2 PRO B 87 9.632 1.573 4.481 1.00 0.00 H new ATOM 0 HD3 PRO B 87 9.664 0.350 3.226 1.00 0.00 H new ATOM 1596 N SER B 88 8.140 5.448 1.585 1.00 0.00 N ATOM 1597 CA SER B 88 8.080 6.898 1.718 1.00 0.00 C ATOM 1598 C SER B 88 7.439 7.335 3.048 1.00 0.00 C ATOM 1599 O SER B 88 7.938 8.243 3.711 1.00 0.00 O ATOM 1600 CB SER B 88 7.336 7.439 0.496 1.00 0.00 C ATOM 1601 OG SER B 88 8.046 7.089 -0.681 1.00 0.00 O ATOM 0 H SER B 88 7.857 5.129 0.658 1.00 0.00 H new ATOM 0 HA SER B 88 9.086 7.316 1.749 1.00 0.00 H new ATOM 0 HB2 SER B 88 6.327 7.029 0.460 1.00 0.00 H new ATOM 0 HB3 SER B 88 7.238 8.522 0.566 1.00 0.00 H new ATOM 0 HG SER B 88 7.805 6.178 -0.950 1.00 0.00 H new ATOM 1607 N ASP B 89 6.388 6.649 3.496 1.00 0.00 N ATOM 1608 CA ASP B 89 5.730 6.855 4.782 1.00 0.00 C ATOM 1609 C ASP B 89 6.663 6.755 6.019 1.00 0.00 C ATOM 1610 O ASP B 89 6.374 7.326 7.066 1.00 0.00 O ATOM 1611 CB ASP B 89 4.564 5.858 4.860 1.00 0.00 C ATOM 1612 CG ASP B 89 3.528 6.063 3.772 1.00 0.00 C ATOM 1613 OD1 ASP B 89 3.910 5.997 2.590 1.00 0.00 O ATOM 1614 OD2 ASP B 89 2.346 6.251 4.125 1.00 0.00 O ATOM 0 H ASP B 89 5.956 5.905 2.949 1.00 0.00 H new ATOM 0 HA ASP B 89 5.377 7.885 4.823 1.00 0.00 H new ATOM 0 HB2 ASP B 89 4.957 4.844 4.792 1.00 0.00 H new ATOM 0 HB3 ASP B 89 4.082 5.948 5.833 1.00 0.00 H new ATOM 1619 N ILE B 90 7.793 6.039 5.945 1.00 0.00 N ATOM 1620 CA ILE B 90 8.862 6.148 6.955 1.00 0.00 C ATOM 1621 C ILE B 90 9.531 7.526 6.863 1.00 0.00 C ATOM 1622 O ILE B 90 9.774 8.214 7.852 1.00 0.00 O ATOM 1623 CB ILE B 90 9.938 5.067 6.714 1.00 0.00 C ATOM 1624 CG1 ILE B 90 9.418 3.626 6.846 1.00 0.00 C ATOM 1625 CG2 ILE B 90 11.171 5.276 7.606 1.00 0.00 C ATOM 1626 CD1 ILE B 90 9.216 3.182 8.293 1.00 0.00 C ATOM 0 H ILE B 90 7.994 5.376 5.196 1.00 0.00 H new ATOM 0 HA ILE B 90 8.416 6.012 7.940 1.00 0.00 H new ATOM 0 HB ILE B 90 10.232 5.195 5.672 1.00 0.00 H new ATOM 0 HG12 ILE B 90 8.472 3.539 6.312 1.00 0.00 H new ATOM 0 HG13 ILE B 90 10.121 2.949 6.361 1.00 0.00 H new ATOM 0 HG21 ILE B 90 11.903 4.494 7.404 1.00 0.00 H new ATOM 0 HG22 ILE B 90 11.613 6.250 7.394 1.00 0.00 H new ATOM 0 HG23 ILE B 90 10.874 5.233 8.654 1.00 0.00 H new ATOM 0 HD11 ILE B 90 8.848 2.156 8.311 1.00 0.00 H new ATOM 0 HD12 ILE B 90 10.165 3.236 8.826 1.00 0.00 H new ATOM 0 HD13 ILE B 90 8.490 3.836 8.776 1.00 0.00 H new ATOM 1638 N ILE B 91 9.907 7.901 5.642 1.00 0.00 N ATOM 1639 CA ILE B 91 10.691 9.092 5.351 1.00 0.00 C ATOM 1640 C ILE B 91 9.905 10.372 5.704 1.00 0.00 C ATOM 1641 O ILE B 91 10.490 11.330 6.216 1.00 0.00 O ATOM 1642 CB ILE B 91 11.195 8.990 3.895 1.00 0.00 C ATOM 1643 CG1 ILE B 91 12.086 7.730 3.759 1.00 0.00 C ATOM 1644 CG2 ILE B 91 11.979 10.248 3.501 1.00 0.00 C ATOM 1645 CD1 ILE B 91 12.327 7.264 2.318 1.00 0.00 C ATOM 0 H ILE B 91 9.666 7.367 4.807 1.00 0.00 H new ATOM 0 HA ILE B 91 11.577 9.159 5.982 1.00 0.00 H new ATOM 0 HB ILE B 91 10.341 8.908 3.223 1.00 0.00 H new ATOM 0 HG12 ILE B 91 13.050 7.932 4.226 1.00 0.00 H new ATOM 0 HG13 ILE B 91 11.625 6.915 4.317 1.00 0.00 H new ATOM 0 HG21 ILE B 91 12.324 10.154 2.471 1.00 0.00 H new ATOM 0 HG22 ILE B 91 11.333 11.122 3.589 1.00 0.00 H new ATOM 0 HG23 ILE B 91 12.838 10.364 4.163 1.00 0.00 H new ATOM 0 HD11 ILE B 91 12.961 6.377 2.324 1.00 0.00 H new ATOM 0 HD12 ILE B 91 11.373 7.025 1.848 1.00 0.00 H new ATOM 0 HD13 ILE B 91 12.819 8.058 1.756 1.00 0.00 H new ATOM 1657 N GLU B 92 8.580 10.350 5.505 1.00 0.00 N ATOM 1658 CA GLU B 92 7.608 11.306 6.049 1.00 0.00 C ATOM 1659 C GLU B 92 7.924 11.709 7.504 1.00 0.00 C ATOM 1660 O GLU B 92 8.060 12.894 7.806 1.00 0.00 O ATOM 1661 CB GLU B 92 6.204 10.681 5.932 1.00 0.00 C ATOM 1662 CG GLU B 92 5.074 11.591 6.458 1.00 0.00 C ATOM 1663 CD GLU B 92 3.709 10.925 6.374 1.00 0.00 C ATOM 1664 OE1 GLU B 92 3.182 10.799 5.252 1.00 0.00 O ATOM 1665 OE2 GLU B 92 3.182 10.477 7.414 1.00 0.00 O ATOM 0 H GLU B 92 8.137 9.631 4.933 1.00 0.00 H new ATOM 0 HA GLU B 92 7.659 12.230 5.472 1.00 0.00 H new ATOM 0 HB2 GLU B 92 6.009 10.441 4.887 1.00 0.00 H new ATOM 0 HB3 GLU B 92 6.187 9.741 6.483 1.00 0.00 H new ATOM 0 HG2 GLU B 92 5.281 11.861 7.494 1.00 0.00 H new ATOM 0 HG3 GLU B 92 5.060 12.517 5.884 1.00 0.00 H new ATOM 1672 N ASP B 93 8.071 10.717 8.385 1.00 0.00 N ATOM 1673 CA ASP B 93 8.429 10.863 9.791 1.00 0.00 C ATOM 1674 C ASP B 93 9.908 11.271 9.949 1.00 0.00 C ATOM 1675 O ASP B 93 10.232 12.357 10.448 1.00 0.00 O ATOM 1676 CB ASP B 93 8.066 9.524 10.474 1.00 0.00 C ATOM 1677 CG ASP B 93 8.938 9.149 11.652 1.00 0.00 C ATOM 1678 OD1 ASP B 93 9.197 10.024 12.504 1.00 0.00 O ATOM 1679 OD2 ASP B 93 9.334 7.971 11.725 1.00 0.00 O ATOM 0 H ASP B 93 7.936 9.741 8.120 1.00 0.00 H new ATOM 0 HA ASP B 93 7.878 11.670 10.274 1.00 0.00 H new ATOM 0 HB2 ASP B 93 7.030 9.574 10.810 1.00 0.00 H new ATOM 0 HB3 ASP B 93 8.123 8.728 9.732 1.00 0.00 H new ATOM 1684 N LEU B 94 10.808 10.389 9.511 1.00 0.00 N ATOM 1685 CA LEU B 94 12.234 10.438 9.845 1.00 0.00 C ATOM 1686 C LEU B 94 12.872 11.814 9.600 1.00 0.00 C ATOM 1687 O LEU B 94 13.654 12.303 10.415 1.00 0.00 O ATOM 1688 CB LEU B 94 12.992 9.364 9.039 1.00 0.00 C ATOM 1689 CG LEU B 94 14.049 8.583 9.838 1.00 0.00 C ATOM 1690 CD1 LEU B 94 14.971 9.455 10.696 1.00 0.00 C ATOM 1691 CD2 LEU B 94 13.343 7.524 10.681 1.00 0.00 C ATOM 0 H LEU B 94 10.563 9.607 8.904 1.00 0.00 H new ATOM 0 HA LEU B 94 12.312 10.243 10.915 1.00 0.00 H new ATOM 0 HB2 LEU B 94 12.269 8.657 8.633 1.00 0.00 H new ATOM 0 HB3 LEU B 94 13.480 9.844 8.191 1.00 0.00 H new ATOM 0 HG LEU B 94 14.717 8.115 9.115 1.00 0.00 H new ATOM 0 HD11 LEU B 94 15.684 8.821 11.224 1.00 0.00 H new ATOM 0 HD12 LEU B 94 15.511 10.153 10.056 1.00 0.00 H new ATOM 0 HD13 LEU B 94 14.376 10.012 11.420 1.00 0.00 H new ATOM 0 HD21 LEU B 94 14.082 6.962 11.253 1.00 0.00 H new ATOM 0 HD22 LEU B 94 12.646 8.008 11.365 1.00 0.00 H new ATOM 0 HD23 LEU B 94 12.796 6.844 10.028 1.00 0.00 H new ATOM 1703 N VAL B 95 12.543 12.450 8.472 1.00 0.00 N ATOM 1704 CA VAL B 95 13.045 13.776 8.109 1.00 0.00 C ATOM 1705 C VAL B 95 12.869 14.822 9.230 1.00 0.00 C ATOM 1706 O VAL B 95 13.778 15.619 9.465 1.00 0.00 O ATOM 1707 CB VAL B 95 12.408 14.212 6.776 1.00 0.00 C ATOM 1708 CG1 VAL B 95 12.690 15.683 6.446 1.00 0.00 C ATOM 1709 CG2 VAL B 95 12.960 13.362 5.623 1.00 0.00 C ATOM 0 H VAL B 95 11.912 12.052 7.777 1.00 0.00 H new ATOM 0 HA VAL B 95 14.124 13.708 7.974 1.00 0.00 H new ATOM 0 HB VAL B 95 11.333 14.075 6.889 1.00 0.00 H new ATOM 0 HG11 VAL B 95 12.219 15.940 5.497 1.00 0.00 H new ATOM 0 HG12 VAL B 95 12.285 16.317 7.235 1.00 0.00 H new ATOM 0 HG13 VAL B 95 13.766 15.839 6.371 1.00 0.00 H new ATOM 0 HG21 VAL B 95 12.503 13.679 4.686 1.00 0.00 H new ATOM 0 HG22 VAL B 95 14.041 13.491 5.561 1.00 0.00 H new ATOM 0 HG23 VAL B 95 12.729 12.312 5.802 1.00 0.00 H new ATOM 1719 N ASN B 96 11.731 14.821 9.932 1.00 0.00 N ATOM 1720 CA ASN B 96 11.473 15.756 11.038 1.00 0.00 C ATOM 1721 C ASN B 96 12.247 15.356 12.300 1.00 0.00 C ATOM 1722 O ASN B 96 12.859 16.191 12.961 1.00 0.00 O ATOM 1723 CB ASN B 96 9.975 15.835 11.369 1.00 0.00 C ATOM 1724 CG ASN B 96 9.099 15.814 10.133 1.00 0.00 C ATOM 1725 OD1 ASN B 96 8.820 16.838 9.522 1.00 0.00 O ATOM 1726 ND2 ASN B 96 8.677 14.627 9.749 1.00 0.00 N ATOM 0 H ASN B 96 10.963 14.174 9.752 1.00 0.00 H new ATOM 0 HA ASN B 96 11.815 16.736 10.706 1.00 0.00 H new ATOM 0 HB2 ASN B 96 9.705 14.999 12.014 1.00 0.00 H new ATOM 0 HB3 ASN B 96 9.780 16.748 11.932 1.00 0.00 H new ATOM 0 HD21 ASN B 96 8.096 14.537 8.915 1.00 0.00 H new ATOM 0 HD22 ASN B 96 8.931 13.797 10.285 1.00 0.00 H new ATOM 1733 N GLN B 97 12.216 14.063 12.624 1.00 0.00 N ATOM 1734 CA GLN B 97 12.884 13.477 13.785 1.00 0.00 C ATOM 1735 C GLN B 97 14.413 13.668 13.748 1.00 0.00 C ATOM 1736 O GLN B 97 15.035 13.971 14.761 1.00 0.00 O ATOM 1737 CB GLN B 97 12.455 12.005 13.875 1.00 0.00 C ATOM 1738 CG GLN B 97 11.116 11.839 14.619 1.00 0.00 C ATOM 1739 CD GLN B 97 10.040 12.871 14.285 1.00 0.00 C ATOM 1740 OE1 GLN B 97 9.945 13.918 14.914 1.00 0.00 O ATOM 1741 NE2 GLN B 97 9.198 12.607 13.309 1.00 0.00 N ATOM 0 H GLN B 97 11.710 13.374 12.068 1.00 0.00 H new ATOM 0 HA GLN B 97 12.578 13.996 14.694 1.00 0.00 H new ATOM 0 HB2 GLN B 97 12.365 11.591 12.871 1.00 0.00 H new ATOM 0 HB3 GLN B 97 13.228 11.433 14.388 1.00 0.00 H new ATOM 0 HG2 GLN B 97 10.721 10.846 14.402 1.00 0.00 H new ATOM 0 HG3 GLN B 97 11.310 11.877 15.691 1.00 0.00 H new ATOM 0 HE21 GLN B 97 9.280 11.734 12.787 1.00 0.00 H new ATOM 0 HE22 GLN B 97 8.464 13.275 13.074 1.00 0.00 H new ATOM 1750 N ARG B 98 15.017 13.534 12.567 1.00 0.00 N ATOM 1751 CA ARG B 98 16.325 14.110 12.247 1.00 0.00 C ATOM 1752 C ARG B 98 17.460 13.664 13.197 1.00 0.00 C ATOM 1753 O ARG B 98 18.307 14.458 13.605 1.00 0.00 O ATOM 1754 CB ARG B 98 16.157 15.642 12.151 1.00 0.00 C ATOM 1755 CG ARG B 98 16.913 16.345 11.014 1.00 0.00 C ATOM 1756 CD ARG B 98 18.427 16.459 11.239 1.00 0.00 C ATOM 1757 NE ARG B 98 19.104 15.155 11.114 1.00 0.00 N ATOM 1758 CZ ARG B 98 19.289 14.459 9.993 1.00 0.00 C ATOM 1759 NH1 ARG B 98 18.918 14.960 8.831 1.00 0.00 N ATOM 1760 NH2 ARG B 98 19.834 13.266 10.034 1.00 0.00 N ATOM 0 H ARG B 98 14.605 13.014 11.792 1.00 0.00 H new ATOM 0 HA ARG B 98 16.659 13.723 11.285 1.00 0.00 H new ATOM 0 HB2 ARG B 98 15.095 15.862 12.042 1.00 0.00 H new ATOM 0 HB3 ARG B 98 16.478 16.080 13.096 1.00 0.00 H new ATOM 0 HG2 ARG B 98 16.735 15.803 10.085 1.00 0.00 H new ATOM 0 HG3 ARG B 98 16.500 17.345 10.883 1.00 0.00 H new ATOM 0 HD2 ARG B 98 18.849 17.157 10.516 1.00 0.00 H new ATOM 0 HD3 ARG B 98 18.616 16.872 12.230 1.00 0.00 H new ATOM 0 HE ARG B 98 19.468 14.744 11.974 1.00 0.00 H new ATOM 0 HH11 ARG B 98 18.488 15.884 8.788 1.00 0.00 H new ATOM 0 HH12 ARG B 98 19.061 14.424 7.975 1.00 0.00 H new ATOM 0 HH21 ARG B 98 20.119 12.866 10.928 1.00 0.00 H new ATOM 0 HH22 ARG B 98 19.973 12.739 9.172 1.00 0.00 H new ATOM 1774 N LEU B 99 17.545 12.361 13.465 1.00 0.00 N ATOM 1775 CA LEU B 99 18.585 11.773 14.322 1.00 0.00 C ATOM 1776 C LEU B 99 20.001 11.983 13.735 1.00 0.00 C ATOM 1777 O LEU B 99 20.128 12.324 12.555 1.00 0.00 O ATOM 1778 CB LEU B 99 18.268 10.292 14.579 1.00 0.00 C ATOM 1779 CG LEU B 99 16.790 10.009 14.917 1.00 0.00 C ATOM 1780 CD1 LEU B 99 16.606 8.520 15.210 1.00 0.00 C ATOM 1781 CD2 LEU B 99 16.329 10.808 16.142 1.00 0.00 C ATOM 0 H LEU B 99 16.890 11.674 13.092 1.00 0.00 H new ATOM 0 HA LEU B 99 18.583 12.290 15.282 1.00 0.00 H new ATOM 0 HB2 LEU B 99 18.544 9.715 13.696 1.00 0.00 H new ATOM 0 HB3 LEU B 99 18.891 9.936 15.400 1.00 0.00 H new ATOM 0 HG LEU B 99 16.191 10.309 14.057 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.561 8.323 15.449 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.894 7.939 14.334 1.00 0.00 H new ATOM 0 HD13 LEU B 99 17.231 8.236 16.056 1.00 0.00 H new ATOM 0 HD21 LEU B 99 15.283 10.583 16.350 1.00 0.00 H new ATOM 0 HD22 LEU B 99 16.937 10.535 17.004 1.00 0.00 H new ATOM 0 HD23 LEU B 99 16.438 11.874 15.943 1.00 0.00 H new ATOM 1793 N GLN B 100 21.074 11.832 14.521 1.00 0.00 N ATOM 1794 CA GLN B 100 22.419 12.241 14.099 1.00 0.00 C ATOM 1795 C GLN B 100 23.278 11.104 13.516 1.00 0.00 C ATOM 1796 O GLN B 100 23.862 11.285 12.449 1.00 0.00 O ATOM 1797 CB GLN B 100 23.144 13.091 15.161 1.00 0.00 C ATOM 1798 CG GLN B 100 23.152 12.577 16.609 1.00 0.00 C ATOM 1799 CD GLN B 100 21.900 12.974 17.388 1.00 0.00 C ATOM 1800 OE1 GLN B 100 21.732 14.127 17.761 1.00 0.00 O ATOM 1801 NE2 GLN B 100 21.003 12.048 17.658 1.00 0.00 N ATOM 0 H GLN B 100 21.036 11.428 15.457 1.00 0.00 H new ATOM 0 HA GLN B 100 22.260 12.904 13.248 1.00 0.00 H new ATOM 0 HB2 GLN B 100 24.180 13.212 14.843 1.00 0.00 H new ATOM 0 HB3 GLN B 100 22.693 14.083 15.161 1.00 0.00 H new ATOM 0 HG2 GLN B 100 23.241 11.491 16.603 1.00 0.00 H new ATOM 0 HG3 GLN B 100 24.032 12.966 17.122 1.00 0.00 H new ATOM 0 HE21 GLN B 100 21.150 11.089 17.344 1.00 0.00 H new ATOM 0 HE22 GLN B 100 20.162 12.290 18.181 1.00 0.00 H new ATOM 1810 N SER B 101 23.360 9.937 14.154 1.00 0.00 N ATOM 1811 CA SER B 101 24.151 8.814 13.629 1.00 0.00 C ATOM 1812 C SER B 101 23.352 7.840 12.749 1.00 0.00 C ATOM 1813 O SER B 101 22.166 7.584 12.950 1.00 0.00 O ATOM 1814 CB SER B 101 24.863 8.049 14.752 1.00 0.00 C ATOM 1815 OG SER B 101 25.744 7.067 14.206 1.00 0.00 O ATOM 0 H SER B 101 22.889 9.740 15.037 1.00 0.00 H new ATOM 0 HA SER B 101 24.896 9.277 12.981 1.00 0.00 H new ATOM 0 HB2 SER B 101 25.425 8.745 15.375 1.00 0.00 H new ATOM 0 HB3 SER B 101 24.127 7.568 15.396 1.00 0.00 H new ATOM 0 HG SER B 101 26.079 7.375 13.338 1.00 0.00 H new ATOM 1821 N GLU B 102 24.061 7.235 11.802 1.00 0.00 N ATOM 1822 CA GLU B 102 23.690 6.077 11.002 1.00 0.00 C ATOM 1823 C GLU B 102 23.006 4.994 11.855 1.00 0.00 C ATOM 1824 O GLU B 102 21.938 4.485 11.531 1.00 0.00 O ATOM 1825 CB GLU B 102 24.966 5.543 10.328 1.00 0.00 C ATOM 1826 CG GLU B 102 25.797 6.639 9.622 1.00 0.00 C ATOM 1827 CD GLU B 102 26.927 7.226 10.461 1.00 0.00 C ATOM 1828 OE1 GLU B 102 26.734 7.472 11.677 1.00 0.00 O ATOM 1829 OE2 GLU B 102 28.050 7.393 9.940 1.00 0.00 O ATOM 0 H GLU B 102 24.991 7.573 11.554 1.00 0.00 H new ATOM 0 HA GLU B 102 22.962 6.367 10.244 1.00 0.00 H new ATOM 0 HB2 GLU B 102 25.587 5.055 11.079 1.00 0.00 H new ATOM 0 HB3 GLU B 102 24.690 4.781 9.599 1.00 0.00 H new ATOM 0 HG2 GLU B 102 26.221 6.222 8.709 1.00 0.00 H new ATOM 0 HG3 GLU B 102 25.128 7.446 9.323 1.00 0.00 H new ATOM 1836 N GLN B 103 23.602 4.688 13.007 1.00 0.00 N ATOM 1837 CA GLN B 103 23.033 3.742 13.962 1.00 0.00 C ATOM 1838 C GLN B 103 21.638 4.176 14.423 1.00 0.00 C ATOM 1839 O GLN B 103 20.705 3.385 14.469 1.00 0.00 O ATOM 1840 CB GLN B 103 23.969 3.620 15.174 1.00 0.00 C ATOM 1841 CG GLN B 103 25.294 2.922 14.843 1.00 0.00 C ATOM 1842 CD GLN B 103 25.149 1.406 14.759 1.00 0.00 C ATOM 1843 OE1 GLN B 103 24.639 0.855 13.796 1.00 0.00 O ATOM 1844 NE2 GLN B 103 25.608 0.689 15.770 1.00 0.00 N ATOM 0 H GLN B 103 24.492 5.089 13.303 1.00 0.00 H new ATOM 0 HA GLN B 103 22.933 2.776 13.468 1.00 0.00 H new ATOM 0 HB2 GLN B 103 24.178 4.615 15.566 1.00 0.00 H new ATOM 0 HB3 GLN B 103 23.461 3.066 15.964 1.00 0.00 H new ATOM 0 HG2 GLN B 103 25.674 3.301 13.894 1.00 0.00 H new ATOM 0 HG3 GLN B 103 26.033 3.172 15.604 1.00 0.00 H new ATOM 0 HE21 GLN B 103 26.033 1.153 16.573 1.00 0.00 H new ATOM 0 HE22 GLN B 103 25.537 -0.328 15.748 1.00 0.00 H new ATOM 1853 N GLU B 104 21.485 5.445 14.766 1.00 0.00 N ATOM 1854 CA GLU B 104 20.240 5.969 15.306 1.00 0.00 C ATOM 1855 C GLU B 104 19.133 5.946 14.253 1.00 0.00 C ATOM 1856 O GLU B 104 18.030 5.472 14.520 1.00 0.00 O ATOM 1857 CB GLU B 104 20.489 7.385 15.802 1.00 0.00 C ATOM 1858 CG GLU B 104 21.597 7.426 16.867 1.00 0.00 C ATOM 1859 CD GLU B 104 22.239 8.802 16.941 1.00 0.00 C ATOM 1860 OE1 GLU B 104 21.643 9.754 16.389 1.00 0.00 O ATOM 1861 OE2 GLU B 104 23.388 8.873 17.415 1.00 0.00 O ATOM 0 H GLU B 104 22.223 6.143 14.678 1.00 0.00 H new ATOM 0 HA GLU B 104 19.907 5.343 16.134 1.00 0.00 H new ATOM 0 HB2 GLU B 104 20.767 8.021 14.962 1.00 0.00 H new ATOM 0 HB3 GLU B 104 19.568 7.792 16.219 1.00 0.00 H new ATOM 0 HG2 GLU B 104 21.180 7.164 17.839 1.00 0.00 H new ATOM 0 HG3 GLU B 104 22.357 6.680 16.634 1.00 0.00 H new ATOM 1868 N VAL B 105 19.432 6.412 13.037 1.00 0.00 N ATOM 1869 CA VAL B 105 18.452 6.346 11.964 1.00 0.00 C ATOM 1870 C VAL B 105 18.140 4.888 11.622 1.00 0.00 C ATOM 1871 O VAL B 105 16.969 4.550 11.519 1.00 0.00 O ATOM 1872 CB VAL B 105 18.820 7.203 10.743 1.00 0.00 C ATOM 1873 CG1 VAL B 105 18.952 8.682 11.122 1.00 0.00 C ATOM 1874 CG2 VAL B 105 20.119 6.753 10.087 1.00 0.00 C ATOM 0 H VAL B 105 20.326 6.829 12.780 1.00 0.00 H new ATOM 0 HA VAL B 105 17.531 6.801 12.329 1.00 0.00 H new ATOM 0 HB VAL B 105 18.005 7.073 10.031 1.00 0.00 H new ATOM 0 HG11 VAL B 105 19.213 9.262 10.237 1.00 0.00 H new ATOM 0 HG12 VAL B 105 18.005 9.040 11.525 1.00 0.00 H new ATOM 0 HG13 VAL B 105 19.732 8.797 11.874 1.00 0.00 H new ATOM 0 HG21 VAL B 105 20.334 7.391 9.230 1.00 0.00 H new ATOM 0 HG22 VAL B 105 20.934 6.826 10.807 1.00 0.00 H new ATOM 0 HG23 VAL B 105 20.020 5.720 9.755 1.00 0.00 H new ATOM 1884 N LEU B 106 19.124 3.986 11.528 1.00 0.00 N ATOM 1885 CA LEU B 106 18.773 2.591 11.244 1.00 0.00 C ATOM 1886 C LEU B 106 17.973 1.956 12.391 1.00 0.00 C ATOM 1887 O LEU B 106 17.029 1.213 12.136 1.00 0.00 O ATOM 1888 CB LEU B 106 19.960 1.764 10.720 1.00 0.00 C ATOM 1889 CG LEU B 106 20.933 1.206 11.763 1.00 0.00 C ATOM 1890 CD1 LEU B 106 20.471 -0.125 12.373 1.00 0.00 C ATOM 1891 CD2 LEU B 106 22.286 0.968 11.083 1.00 0.00 C ATOM 0 H LEU B 106 20.119 4.181 11.638 1.00 0.00 H new ATOM 0 HA LEU B 106 18.084 2.590 10.400 1.00 0.00 H new ATOM 0 HB2 LEU B 106 19.563 0.927 10.146 1.00 0.00 H new ATOM 0 HB3 LEU B 106 20.526 2.386 10.027 1.00 0.00 H new ATOM 0 HG LEU B 106 20.992 1.936 12.570 1.00 0.00 H new ATOM 0 HD11 LEU B 106 21.205 -0.465 13.104 1.00 0.00 H new ATOM 0 HD12 LEU B 106 19.508 0.015 12.864 1.00 0.00 H new ATOM 0 HD13 LEU B 106 20.371 -0.871 11.585 1.00 0.00 H new ATOM 0 HD21 LEU B 106 22.994 0.570 11.810 1.00 0.00 H new ATOM 0 HD22 LEU B 106 22.163 0.254 10.268 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.665 1.910 10.686 1.00 0.00 H new ATOM 1903 N ASN B 107 18.282 2.281 13.653 1.00 0.00 N ATOM 1904 CA ASN B 107 17.481 1.841 14.797 1.00 0.00 C ATOM 1905 C ASN B 107 16.022 2.312 14.664 1.00 0.00 C ATOM 1906 O ASN B 107 15.093 1.501 14.621 1.00 0.00 O ATOM 1907 CB ASN B 107 18.087 2.359 16.113 1.00 0.00 C ATOM 1908 CG ASN B 107 19.423 1.728 16.486 1.00 0.00 C ATOM 1909 OD1 ASN B 107 19.700 0.574 16.179 1.00 0.00 O ATOM 1910 ND2 ASN B 107 20.262 2.465 17.198 1.00 0.00 N ATOM 0 H ASN B 107 19.088 2.852 13.906 1.00 0.00 H new ATOM 0 HA ASN B 107 17.489 0.751 14.811 1.00 0.00 H new ATOM 0 HB2 ASN B 107 18.218 3.438 16.038 1.00 0.00 H new ATOM 0 HB3 ASN B 107 17.377 2.180 16.920 1.00 0.00 H new ATOM 0 HD21 ASN B 107 21.155 2.074 17.500 1.00 0.00 H new ATOM 0 HD22 ASN B 107 20.016 3.424 17.445 1.00 0.00 H new ATOM 1917 N TYR B 108 15.815 3.627 14.595 1.00 0.00 N ATOM 1918 CA TYR B 108 14.479 4.206 14.515 1.00 0.00 C ATOM 1919 C TYR B 108 13.734 3.742 13.254 1.00 0.00 C ATOM 1920 O TYR B 108 12.643 3.186 13.358 1.00 0.00 O ATOM 1921 CB TYR B 108 14.562 5.731 14.648 1.00 0.00 C ATOM 1922 CG TYR B 108 13.225 6.454 14.685 1.00 0.00 C ATOM 1923 CD1 TYR B 108 12.164 5.982 15.485 1.00 0.00 C ATOM 1924 CD2 TYR B 108 13.053 7.642 13.950 1.00 0.00 C ATOM 1925 CE1 TYR B 108 10.924 6.644 15.474 1.00 0.00 C ATOM 1926 CE2 TYR B 108 11.793 8.262 13.894 1.00 0.00 C ATOM 1927 CZ TYR B 108 10.722 7.751 14.635 1.00 0.00 C ATOM 1928 OH TYR B 108 9.540 8.414 14.686 1.00 0.00 O ATOM 0 H TYR B 108 16.567 4.316 14.593 1.00 0.00 H new ATOM 0 HA TYR B 108 13.882 3.842 15.351 1.00 0.00 H new ATOM 0 HB2 TYR B 108 15.111 5.970 15.559 1.00 0.00 H new ATOM 0 HB3 TYR B 108 15.144 6.121 13.813 1.00 0.00 H new ATOM 0 HD1 TYR B 108 12.304 5.110 16.107 1.00 0.00 H new ATOM 0 HD2 TYR B 108 13.892 8.078 13.428 1.00 0.00 H new ATOM 0 HE1 TYR B 108 10.124 6.300 16.113 1.00 0.00 H new ATOM 0 HE2 TYR B 108 11.651 9.137 13.276 1.00 0.00 H new ATOM 0 HH TYR B 108 9.559 9.166 14.058 1.00 0.00 H new ATOM 1938 N ILE B 109 14.341 3.854 12.071 1.00 0.00 N ATOM 1939 CA ILE B 109 13.793 3.279 10.840 1.00 0.00 C ATOM 1940 C ILE B 109 13.368 1.821 11.030 1.00 0.00 C ATOM 1941 O ILE B 109 12.256 1.470 10.672 1.00 0.00 O ATOM 1942 CB ILE B 109 14.770 3.398 9.657 1.00 0.00 C ATOM 1943 CG1 ILE B 109 14.986 4.863 9.255 1.00 0.00 C ATOM 1944 CG2 ILE B 109 14.225 2.623 8.447 1.00 0.00 C ATOM 1945 CD1 ILE B 109 16.170 5.014 8.299 1.00 0.00 C ATOM 0 H ILE B 109 15.225 4.345 11.939 1.00 0.00 H new ATOM 0 HA ILE B 109 12.905 3.865 10.602 1.00 0.00 H new ATOM 0 HB ILE B 109 15.725 2.978 9.973 1.00 0.00 H new ATOM 0 HG12 ILE B 109 14.083 5.248 8.781 1.00 0.00 H new ATOM 0 HG13 ILE B 109 15.159 5.464 10.147 1.00 0.00 H new ATOM 0 HG21 ILE B 109 14.922 2.712 7.614 1.00 0.00 H new ATOM 0 HG22 ILE B 109 14.107 1.572 8.711 1.00 0.00 H new ATOM 0 HG23 ILE B 109 13.258 3.034 8.157 1.00 0.00 H new ATOM 0 HD11 ILE B 109 16.293 6.064 8.036 1.00 0.00 H new ATOM 0 HD12 ILE B 109 17.077 4.652 8.783 1.00 0.00 H new ATOM 0 HD13 ILE B 109 15.985 4.433 7.396 1.00 0.00 H new ATOM 1957 N GLU B 110 14.198 0.945 11.597 1.00 0.00 N ATOM 1958 CA GLU B 110 13.813 -0.447 11.821 1.00 0.00 C ATOM 1959 C GLU B 110 12.573 -0.597 12.744 1.00 0.00 C ATOM 1960 O GLU B 110 11.673 -1.403 12.464 1.00 0.00 O ATOM 1961 CB GLU B 110 15.053 -1.228 12.274 1.00 0.00 C ATOM 1962 CG GLU B 110 16.035 -1.416 11.098 1.00 0.00 C ATOM 1963 CD GLU B 110 15.814 -2.703 10.339 1.00 0.00 C ATOM 1964 OE1 GLU B 110 16.144 -3.763 10.911 1.00 0.00 O ATOM 1965 OE2 GLU B 110 15.382 -2.654 9.173 1.00 0.00 O ATOM 0 H GLU B 110 15.141 1.176 11.909 1.00 0.00 H new ATOM 0 HA GLU B 110 13.466 -0.887 10.886 1.00 0.00 H new ATOM 0 HB2 GLU B 110 15.548 -0.696 13.087 1.00 0.00 H new ATOM 0 HB3 GLU B 110 14.754 -2.201 12.665 1.00 0.00 H new ATOM 0 HG2 GLU B 110 15.935 -0.575 10.412 1.00 0.00 H new ATOM 0 HG3 GLU B 110 17.056 -1.397 11.479 1.00 0.00 H new ATOM 1972 N THR B 111 12.464 0.188 13.821 1.00 0.00 N ATOM 1973 CA THR B 111 11.242 0.220 14.633 1.00 0.00 C ATOM 1974 C THR B 111 10.019 0.738 13.850 1.00 0.00 C ATOM 1975 O THR B 111 8.992 0.061 13.806 1.00 0.00 O ATOM 1976 CB THR B 111 11.447 0.979 15.949 1.00 0.00 C ATOM 1977 OG1 THR B 111 11.717 2.342 15.756 1.00 0.00 O ATOM 1978 CG2 THR B 111 12.565 0.379 16.802 1.00 0.00 C ATOM 0 H THR B 111 13.204 0.808 14.150 1.00 0.00 H new ATOM 0 HA THR B 111 11.020 -0.815 14.892 1.00 0.00 H new ATOM 0 HB THR B 111 10.498 0.878 16.475 1.00 0.00 H new ATOM 0 HG1 THR B 111 12.162 2.468 14.892 1.00 0.00 H new ATOM 0 HG21 THR B 111 12.669 0.954 17.722 1.00 0.00 H new ATOM 0 HG22 THR B 111 12.322 -0.655 17.045 1.00 0.00 H new ATOM 0 HG23 THR B 111 13.503 0.410 16.247 1.00 0.00 H new ATOM 1986 N GLN B 112 10.128 1.857 13.140 1.00 0.00 N ATOM 1987 CA GLN B 112 9.057 2.399 12.299 1.00 0.00 C ATOM 1988 C GLN B 112 8.669 1.438 11.153 1.00 0.00 C ATOM 1989 O GLN B 112 7.506 1.243 10.830 1.00 0.00 O ATOM 1990 CB GLN B 112 9.494 3.780 11.791 1.00 0.00 C ATOM 1991 CG GLN B 112 9.728 4.782 12.933 1.00 0.00 C ATOM 1992 CD GLN B 112 8.430 5.162 13.622 1.00 0.00 C ATOM 1993 OE1 GLN B 112 7.973 4.483 14.533 1.00 0.00 O ATOM 1994 NE2 GLN B 112 7.802 6.227 13.177 1.00 0.00 N ATOM 0 H GLN B 112 10.976 2.424 13.130 1.00 0.00 H new ATOM 0 HA GLN B 112 8.149 2.508 12.892 1.00 0.00 H new ATOM 0 HB2 GLN B 112 10.410 3.676 11.210 1.00 0.00 H new ATOM 0 HB3 GLN B 112 8.732 4.173 11.118 1.00 0.00 H new ATOM 0 HG2 GLN B 112 10.414 4.349 13.662 1.00 0.00 H new ATOM 0 HG3 GLN B 112 10.206 5.678 12.538 1.00 0.00 H new ATOM 0 HE21 GLN B 112 8.204 6.776 12.417 1.00 0.00 H new ATOM 0 HE22 GLN B 112 6.913 6.505 13.592 1.00 0.00 H new ATOM 2003 N ARG B 113 9.645 0.742 10.585 1.00 0.00 N ATOM 2004 CA ARG B 113 9.510 -0.370 9.643 1.00 0.00 C ATOM 2005 C ARG B 113 8.833 -1.589 10.309 1.00 0.00 C ATOM 2006 O ARG B 113 8.337 -2.513 9.661 1.00 0.00 O ATOM 2007 CB ARG B 113 10.927 -0.665 9.133 1.00 0.00 C ATOM 2008 CG ARG B 113 11.047 -1.687 8.009 1.00 0.00 C ATOM 2009 CD ARG B 113 12.534 -1.915 7.705 1.00 0.00 C ATOM 2010 NE ARG B 113 12.735 -2.885 6.602 1.00 0.00 N ATOM 2011 CZ ARG B 113 13.475 -4.003 6.626 1.00 0.00 C ATOM 2012 NH1 ARG B 113 14.126 -4.425 7.687 1.00 0.00 N ATOM 2013 NH2 ARG B 113 13.571 -4.759 5.558 1.00 0.00 N ATOM 0 H ARG B 113 10.623 0.952 10.782 1.00 0.00 H new ATOM 0 HA ARG B 113 8.858 -0.120 8.806 1.00 0.00 H new ATOM 0 HB2 ARG B 113 11.368 0.271 8.791 1.00 0.00 H new ATOM 0 HB3 ARG B 113 11.527 -1.012 9.974 1.00 0.00 H new ATOM 0 HG2 ARG B 113 10.573 -2.625 8.299 1.00 0.00 H new ATOM 0 HG3 ARG B 113 10.530 -1.331 7.118 1.00 0.00 H new ATOM 0 HD2 ARG B 113 13.000 -0.965 7.441 1.00 0.00 H new ATOM 0 HD3 ARG B 113 13.036 -2.278 8.602 1.00 0.00 H new ATOM 0 HE ARG B 113 12.256 -2.679 5.725 1.00 0.00 H new ATOM 0 HH11 ARG B 113 14.085 -3.893 8.556 1.00 0.00 H new ATOM 0 HH12 ARG B 113 14.673 -5.285 7.641 1.00 0.00 H new ATOM 0 HH21 ARG B 113 13.081 -4.498 4.702 1.00 0.00 H new ATOM 0 HH22 ARG B 113 14.136 -5.608 5.583 1.00 0.00 H new ATOM 2027 N THR B 114 8.847 -1.666 11.635 1.00 0.00 N ATOM 2028 CA THR B 114 8.048 -2.609 12.426 1.00 0.00 C ATOM 2029 C THR B 114 6.608 -2.139 12.700 1.00 0.00 C ATOM 2030 O THR B 114 5.688 -2.925 12.479 1.00 0.00 O ATOM 2031 CB THR B 114 8.855 -3.110 13.625 1.00 0.00 C ATOM 2032 OG1 THR B 114 10.043 -3.667 13.078 1.00 0.00 O ATOM 2033 CG2 THR B 114 8.127 -4.193 14.419 1.00 0.00 C ATOM 0 H THR B 114 9.430 -1.058 12.211 1.00 0.00 H new ATOM 0 HA THR B 114 7.853 -3.495 11.822 1.00 0.00 H new ATOM 0 HB THR B 114 9.034 -2.286 14.316 1.00 0.00 H new ATOM 0 HG1 THR B 114 10.668 -2.947 12.852 1.00 0.00 H new ATOM 0 HG21 THR B 114 8.748 -4.509 15.257 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.184 -3.796 14.795 1.00 0.00 H new ATOM 0 HG23 THR B 114 7.929 -5.047 13.772 1.00 0.00 H new ATOM 2041 N TYR B 115 6.376 -0.863 13.023 1.00 0.00 N ATOM 2042 CA TYR B 115 5.051 -0.238 12.847 1.00 0.00 C ATOM 2043 C TYR B 115 4.460 -0.590 11.467 1.00 0.00 C ATOM 2044 O TYR B 115 3.406 -1.217 11.359 1.00 0.00 O ATOM 2045 CB TYR B 115 5.148 1.286 13.072 1.00 0.00 C ATOM 2046 CG TYR B 115 4.180 2.157 12.279 1.00 0.00 C ATOM 2047 CD1 TYR B 115 2.803 2.131 12.567 1.00 0.00 C ATOM 2048 CD2 TYR B 115 4.658 3.018 11.267 1.00 0.00 C ATOM 2049 CE1 TYR B 115 1.919 2.966 11.860 1.00 0.00 C ATOM 2050 CE2 TYR B 115 3.764 3.829 10.543 1.00 0.00 C ATOM 2051 CZ TYR B 115 2.397 3.810 10.844 1.00 0.00 C ATOM 2052 OH TYR B 115 1.530 4.613 10.176 1.00 0.00 O ATOM 0 H TYR B 115 7.085 -0.239 13.408 1.00 0.00 H new ATOM 0 HA TYR B 115 4.365 -0.636 13.595 1.00 0.00 H new ATOM 0 HB2 TYR B 115 4.994 1.484 14.133 1.00 0.00 H new ATOM 0 HB3 TYR B 115 6.164 1.601 12.833 1.00 0.00 H new ATOM 0 HD1 TYR B 115 2.424 1.469 13.332 1.00 0.00 H new ATOM 0 HD2 TYR B 115 5.715 3.054 11.047 1.00 0.00 H new ATOM 0 HE1 TYR B 115 0.866 2.958 12.100 1.00 0.00 H new ATOM 0 HE2 TYR B 115 4.133 4.467 9.754 1.00 0.00 H new ATOM 0 HH TYR B 115 2.030 5.297 9.684 1.00 0.00 H new ATOM 2062 N TRP B 116 5.197 -0.287 10.403 1.00 0.00 N ATOM 2063 CA TRP B 116 4.786 -0.595 9.045 1.00 0.00 C ATOM 2064 C TRP B 116 4.543 -2.087 8.778 1.00 0.00 C ATOM 2065 O TRP B 116 3.572 -2.435 8.113 1.00 0.00 O ATOM 2066 CB TRP B 116 5.727 0.067 8.033 1.00 0.00 C ATOM 2067 CG TRP B 116 5.173 1.347 7.500 1.00 0.00 C ATOM 2068 CD1 TRP B 116 5.681 2.593 7.634 1.00 0.00 C ATOM 2069 CD2 TRP B 116 3.898 1.506 6.826 1.00 0.00 C ATOM 2070 NE1 TRP B 116 4.810 3.504 7.073 1.00 0.00 N ATOM 2071 CE2 TRP B 116 3.679 2.888 6.580 1.00 0.00 C ATOM 2072 CE3 TRP B 116 2.883 0.608 6.444 1.00 0.00 C ATOM 2073 CZ2 TRP B 116 2.508 3.348 5.969 1.00 0.00 C ATOM 2074 CZ3 TRP B 116 1.679 1.065 5.894 1.00 0.00 C ATOM 2075 CH2 TRP B 116 1.501 2.433 5.634 1.00 0.00 C ATOM 0 H TRP B 116 6.101 0.182 10.463 1.00 0.00 H new ATOM 0 HA TRP B 116 3.797 -0.156 8.910 1.00 0.00 H new ATOM 0 HB2 TRP B 116 6.690 0.259 8.507 1.00 0.00 H new ATOM 0 HB3 TRP B 116 5.910 -0.620 7.206 1.00 0.00 H new ATOM 0 HD1 TRP B 116 6.621 2.837 8.106 1.00 0.00 H new ATOM 0 HE1 TRP B 116 4.981 4.509 7.028 1.00 0.00 H new ATOM 0 HE3 TRP B 116 3.036 -0.453 6.578 1.00 0.00 H new ATOM 0 HZ2 TRP B 116 2.381 4.399 5.757 1.00 0.00 H new ATOM 0 HZ3 TRP B 116 0.888 0.365 5.670 1.00 0.00 H new ATOM 0 HH2 TRP B 116 0.587 2.781 5.175 1.00 0.00 H new ATOM 2086 N LYS B 117 5.340 -3.010 9.330 1.00 0.00 N ATOM 2087 CA LYS B 117 4.916 -4.417 9.314 1.00 0.00 C ATOM 2088 C LYS B 117 3.505 -4.604 9.901 1.00 0.00 C ATOM 2089 O LYS B 117 2.661 -5.220 9.254 1.00 0.00 O ATOM 2090 CB LYS B 117 5.929 -5.349 10.005 1.00 0.00 C ATOM 2091 CG LYS B 117 7.110 -5.676 9.086 1.00 0.00 C ATOM 2092 CD LYS B 117 8.119 -6.657 9.706 1.00 0.00 C ATOM 2093 CE LYS B 117 8.888 -6.099 10.914 1.00 0.00 C ATOM 2094 NZ LYS B 117 9.619 -4.848 10.606 1.00 0.00 N ATOM 0 H LYS B 117 6.240 -2.824 9.773 1.00 0.00 H new ATOM 0 HA LYS B 117 4.879 -4.705 8.264 1.00 0.00 H new ATOM 0 HB2 LYS B 117 6.296 -4.877 10.916 1.00 0.00 H new ATOM 0 HB3 LYS B 117 5.431 -6.272 10.302 1.00 0.00 H new ATOM 0 HG2 LYS B 117 6.730 -6.098 8.156 1.00 0.00 H new ATOM 0 HG3 LYS B 117 7.626 -4.751 8.829 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.589 -7.558 10.013 1.00 0.00 H new ATOM 0 HD3 LYS B 117 8.836 -6.954 8.940 1.00 0.00 H new ATOM 0 HE2 LYS B 117 8.188 -5.913 11.729 1.00 0.00 H new ATOM 0 HE3 LYS B 117 9.596 -6.850 11.266 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 10.090 -4.501 11.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 10.331 -5.034 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 8.949 -4.130 10.264 1.00 0.00 H new ATOM 2108 N LEU B 118 3.210 -4.056 11.084 1.00 0.00 N ATOM 2109 CA LEU B 118 1.854 -4.130 11.639 1.00 0.00 C ATOM 2110 C LEU B 118 0.797 -3.554 10.676 1.00 0.00 C ATOM 2111 O LEU B 118 -0.166 -4.244 10.333 1.00 0.00 O ATOM 2112 CB LEU B 118 1.775 -3.507 13.039 1.00 0.00 C ATOM 2113 CG LEU B 118 2.712 -4.169 14.063 1.00 0.00 C ATOM 2114 CD1 LEU B 118 2.581 -3.428 15.397 1.00 0.00 C ATOM 2115 CD2 LEU B 118 2.407 -5.656 14.280 1.00 0.00 C ATOM 0 H LEU B 118 3.883 -3.562 11.670 1.00 0.00 H new ATOM 0 HA LEU B 118 1.616 -5.187 11.754 1.00 0.00 H new ATOM 0 HB2 LEU B 118 2.018 -2.447 12.970 1.00 0.00 H new ATOM 0 HB3 LEU B 118 0.749 -3.576 13.401 1.00 0.00 H new ATOM 0 HG LEU B 118 3.727 -4.106 13.670 1.00 0.00 H new ATOM 0 HD11 LEU B 118 3.240 -3.886 16.134 1.00 0.00 H new ATOM 0 HD12 LEU B 118 2.859 -2.383 15.262 1.00 0.00 H new ATOM 0 HD13 LEU B 118 1.550 -3.487 15.746 1.00 0.00 H new ATOM 0 HD21 LEU B 118 3.101 -6.067 15.013 1.00 0.00 H new ATOM 0 HD22 LEU B 118 1.386 -5.769 14.645 1.00 0.00 H new ATOM 0 HD23 LEU B 118 2.517 -6.191 13.337 1.00 0.00 H new ATOM 2127 N GLU B 119 0.974 -2.338 10.159 1.00 0.00 N ATOM 2128 CA GLU B 119 0.054 -1.771 9.166 1.00 0.00 C ATOM 2129 C GLU B 119 -0.025 -2.592 7.862 1.00 0.00 C ATOM 2130 O GLU B 119 -1.067 -2.666 7.209 1.00 0.00 O ATOM 2131 CB GLU B 119 0.414 -0.308 8.883 1.00 0.00 C ATOM 2132 CG GLU B 119 0.354 0.592 10.128 1.00 0.00 C ATOM 2133 CD GLU B 119 -0.968 0.560 10.872 1.00 0.00 C ATOM 2134 OE1 GLU B 119 -2.029 0.366 10.234 1.00 0.00 O ATOM 2135 OE2 GLU B 119 -0.938 0.660 12.116 1.00 0.00 O ATOM 0 H GLU B 119 1.748 -1.723 10.411 1.00 0.00 H new ATOM 0 HA GLU B 119 -0.944 -1.815 9.601 1.00 0.00 H new ATOM 0 HB2 GLU B 119 1.418 -0.265 8.462 1.00 0.00 H new ATOM 0 HB3 GLU B 119 -0.266 0.085 8.127 1.00 0.00 H new ATOM 0 HG2 GLU B 119 1.148 0.294 10.813 1.00 0.00 H new ATOM 0 HG3 GLU B 119 0.561 1.619 9.827 1.00 0.00 H new ATOM 2142 N ASN B 120 1.037 -3.297 7.478 1.00 0.00 N ATOM 2143 CA ASN B 120 1.017 -4.274 6.388 1.00 0.00 C ATOM 2144 C ASN B 120 0.306 -5.592 6.764 1.00 0.00 C ATOM 2145 O ASN B 120 -0.121 -6.342 5.882 1.00 0.00 O ATOM 2146 CB ASN B 120 2.445 -4.577 5.916 1.00 0.00 C ATOM 2147 CG ASN B 120 3.248 -3.401 5.375 1.00 0.00 C ATOM 2148 OD1 ASN B 120 4.467 -3.471 5.300 1.00 0.00 O ATOM 2149 ND2 ASN B 120 2.611 -2.324 4.956 1.00 0.00 N ATOM 0 H ASN B 120 1.951 -3.205 7.922 1.00 0.00 H new ATOM 0 HA ASN B 120 0.443 -3.819 5.581 1.00 0.00 H new ATOM 0 HB2 ASN B 120 2.995 -5.010 6.751 1.00 0.00 H new ATOM 0 HB3 ASN B 120 2.393 -5.340 5.139 1.00 0.00 H new ATOM 0 HD21 ASN B 120 3.135 -1.541 4.566 1.00 0.00 H new ATOM 0 HD22 ASN B 120 1.594 -2.275 5.022 1.00 0.00 H new ATOM 2156 N GLN B 121 0.217 -5.910 8.055 1.00 0.00 N ATOM 2157 CA GLN B 121 -0.262 -7.177 8.614 1.00 0.00 C ATOM 2158 C GLN B 121 -1.757 -7.159 8.983 1.00 0.00 C ATOM 2159 O GLN B 121 -2.469 -8.111 8.685 1.00 0.00 O ATOM 2160 CB GLN B 121 0.621 -7.483 9.830 1.00 0.00 C ATOM 2161 CG GLN B 121 0.356 -8.809 10.548 1.00 0.00 C ATOM 2162 CD GLN B 121 1.397 -8.998 11.645 1.00 0.00 C ATOM 2163 OE1 GLN B 121 2.451 -9.569 11.415 1.00 0.00 O ATOM 2164 NE2 GLN B 121 1.153 -8.471 12.833 1.00 0.00 N ATOM 0 H GLN B 121 0.494 -5.252 8.783 1.00 0.00 H new ATOM 0 HA GLN B 121 -0.183 -7.961 7.860 1.00 0.00 H new ATOM 0 HB2 GLN B 121 1.662 -7.471 9.508 1.00 0.00 H new ATOM 0 HB3 GLN B 121 0.501 -6.674 10.551 1.00 0.00 H new ATOM 0 HG2 GLN B 121 -0.646 -8.811 10.976 1.00 0.00 H new ATOM 0 HG3 GLN B 121 0.402 -9.636 9.840 1.00 0.00 H new ATOM 0 HE21 GLN B 121 0.267 -7.997 13.008 1.00 0.00 H new ATOM 0 HE22 GLN B 121 1.851 -8.538 13.574 1.00 0.00 H new ATOM 2173 N LYS B 122 -2.239 -6.091 9.631 1.00 0.00 N ATOM 2174 CA LYS B 122 -3.613 -5.949 10.124 1.00 0.00 C ATOM 2175 C LYS B 122 -4.706 -6.487 9.171 1.00 0.00 C ATOM 2176 O LYS B 122 -4.700 -6.194 7.971 1.00 0.00 O ATOM 2177 CB LYS B 122 -3.887 -4.462 10.374 1.00 0.00 C ATOM 2178 CG LYS B 122 -3.311 -3.857 11.660 1.00 0.00 C ATOM 2179 CD LYS B 122 -3.789 -2.397 11.684 1.00 0.00 C ATOM 2180 CE LYS B 122 -3.089 -1.521 12.727 1.00 0.00 C ATOM 2181 NZ LYS B 122 -3.362 -0.091 12.465 1.00 0.00 N ATOM 0 H LYS B 122 -1.662 -5.274 9.833 1.00 0.00 H new ATOM 0 HA LYS B 122 -3.672 -6.552 11.030 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -3.494 -3.898 9.528 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -4.967 -4.313 10.383 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -3.662 -4.398 12.539 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -2.222 -3.913 11.665 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -3.634 -1.960 10.697 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -4.862 -2.381 11.875 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -3.435 -1.787 13.726 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -2.015 -1.703 12.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -2.524 0.473 12.711 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -3.585 0.041 11.458 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -4.170 0.220 13.042 1.00 0.00 H new ATOM 2195 N LYS B 123 -5.686 -7.201 9.726 1.00 0.00 N ATOM 2196 CA LYS B 123 -6.882 -7.660 9.017 1.00 0.00 C ATOM 2197 C LYS B 123 -7.646 -6.529 8.305 1.00 0.00 C ATOM 2198 O LYS B 123 -8.023 -5.549 8.950 1.00 0.00 O ATOM 2199 CB LYS B 123 -7.804 -8.383 10.023 1.00 0.00 C ATOM 2200 CG LYS B 123 -8.364 -7.477 11.141 1.00 0.00 C ATOM 2201 CD LYS B 123 -9.818 -7.023 10.887 1.00 0.00 C ATOM 2202 CE LYS B 123 -10.124 -5.688 11.591 1.00 0.00 C ATOM 2203 NZ LYS B 123 -9.640 -4.539 10.792 1.00 0.00 N ATOM 0 H LYS B 123 -5.670 -7.484 10.706 1.00 0.00 H new ATOM 0 HA LYS B 123 -6.558 -8.339 8.229 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -8.638 -8.826 9.479 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -7.250 -9.203 10.480 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -8.318 -8.012 12.090 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -7.728 -6.597 11.239 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -9.985 -6.917 9.815 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -10.507 -7.789 11.243 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -11.198 -5.596 11.751 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -9.653 -5.675 12.574 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -9.495 -3.719 11.415 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -8.740 -4.789 10.334 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -10.344 -4.301 10.065 1.00 0.00 H new ATOM 2217 N LEU B 124 -7.950 -6.696 7.016 1.00 0.00 N ATOM 2218 CA LEU B 124 -9.147 -6.127 6.393 1.00 0.00 C ATOM 2219 C LEU B 124 -10.099 -7.288 6.061 1.00 0.00 C ATOM 2220 O LEU B 124 -9.693 -8.258 5.431 1.00 0.00 O ATOM 2221 CB LEU B 124 -8.786 -5.263 5.167 1.00 0.00 C ATOM 2222 CG LEU B 124 -10.010 -4.784 4.358 1.00 0.00 C ATOM 2223 CD1 LEU B 124 -11.090 -4.090 5.175 1.00 0.00 C ATOM 2224 CD2 LEU B 124 -9.639 -3.797 3.260 1.00 0.00 C ATOM 0 H LEU B 124 -7.369 -7.233 6.372 1.00 0.00 H new ATOM 0 HA LEU B 124 -9.652 -5.445 7.077 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -8.221 -4.393 5.501 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -8.131 -5.836 4.511 1.00 0.00 H new ATOM 0 HG LEU B 124 -10.396 -5.721 3.957 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -11.907 -3.791 4.518 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -11.467 -4.774 5.935 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -10.670 -3.207 5.657 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -10.538 -3.494 2.724 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -9.168 -2.920 3.703 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -8.944 -4.270 2.565 1.00 0.00 H new ATOM 2236 N TYR B 125 -11.346 -7.228 6.537 1.00 0.00 N ATOM 2237 CA TYR B 125 -12.382 -8.224 6.227 1.00 0.00 C ATOM 2238 C TYR B 125 -12.878 -8.145 4.770 1.00 0.00 C ATOM 2239 O TYR B 125 -13.458 -9.099 4.256 1.00 0.00 O ATOM 2240 CB TYR B 125 -13.539 -8.107 7.231 1.00 0.00 C ATOM 2241 CG TYR B 125 -13.937 -6.687 7.580 1.00 0.00 C ATOM 2242 CD1 TYR B 125 -14.577 -5.872 6.627 1.00 0.00 C ATOM 2243 CD2 TYR B 125 -13.528 -6.139 8.810 1.00 0.00 C ATOM 2244 CE1 TYR B 125 -14.736 -4.498 6.875 1.00 0.00 C ATOM 2245 CE2 TYR B 125 -13.697 -4.769 9.055 1.00 0.00 C ATOM 2246 CZ TYR B 125 -14.299 -3.952 8.090 1.00 0.00 C ATOM 2247 OH TYR B 125 -14.286 -2.614 8.279 1.00 0.00 O ATOM 0 H TYR B 125 -11.670 -6.482 7.153 1.00 0.00 H new ATOM 0 HA TYR B 125 -11.928 -9.210 6.326 1.00 0.00 H new ATOM 0 HB2 TYR B 125 -14.408 -8.623 6.824 1.00 0.00 H new ATOM 0 HB3 TYR B 125 -13.260 -8.627 8.148 1.00 0.00 H new ATOM 0 HD1 TYR B 125 -14.945 -6.302 5.707 1.00 0.00 H new ATOM 0 HD2 TYR B 125 -13.085 -6.773 9.564 1.00 0.00 H new ATOM 0 HE1 TYR B 125 -15.194 -3.864 6.131 1.00 0.00 H new ATOM 0 HE2 TYR B 125 -13.362 -4.343 9.989 1.00 0.00 H new ATOM 0 HH TYR B 125 -14.900 -2.188 7.645 1.00 0.00 H new ATOM 2257 N ARG B 126 -12.646 -7.015 4.095 1.00 0.00 N ATOM 2258 CA ARG B 126 -12.856 -6.806 2.658 1.00 0.00 C ATOM 2259 C ARG B 126 -14.335 -6.645 2.279 1.00 0.00 C ATOM 2260 O ARG B 126 -14.718 -5.626 1.716 1.00 0.00 O ATOM 2261 CB ARG B 126 -12.151 -7.891 1.821 1.00 0.00 C ATOM 2262 CG ARG B 126 -10.632 -7.878 2.043 1.00 0.00 C ATOM 2263 CD ARG B 126 -10.005 -9.165 1.507 1.00 0.00 C ATOM 2264 NE ARG B 126 -8.528 -9.107 1.599 1.00 0.00 N ATOM 2265 CZ ARG B 126 -7.671 -9.931 0.992 1.00 0.00 C ATOM 2266 NH1 ARG B 126 -8.081 -10.797 0.081 1.00 0.00 N ATOM 2267 NH2 ARG B 126 -6.394 -9.905 1.307 1.00 0.00 N ATOM 0 H ARG B 126 -12.289 -6.179 4.558 1.00 0.00 H new ATOM 0 HA ARG B 126 -12.389 -5.852 2.414 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -12.549 -8.871 2.085 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -12.366 -7.733 0.764 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -10.192 -7.016 1.542 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -10.414 -7.775 3.106 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -10.376 -10.019 2.073 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -10.304 -9.316 0.470 1.00 0.00 H new ATOM 0 HE ARG B 126 -8.129 -8.369 2.180 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -9.069 -10.844 -0.170 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -7.410 -11.418 -0.371 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -6.057 -9.254 2.016 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -5.741 -10.536 0.842 1.00 0.00 H new