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= 0.749 K(o=1.9,f=-4.6) USER MOD Set 1.2: B 122 LYS NZ :NH3+ -155:sc= 1.2 (180deg=-0.749!) USER MOD Set 2.1: B 114 THR OG1 : rot 180:sc= 0.577 USER MOD Set 2.2: B 117 LYS NZ :NH3+ -161:sc= 0.297 (180deg=-1.08) USER MOD Set 3.1: B 96 ASN : amide:sc= 0.0914 X(o=0.81,f=1.2) USER MOD Set 3.2: B 97 GLN : amide:sc= 0.721 K(o=0.81,f=0.3) USER MOD Set 4.1: A 125 TYR OH : rot 162:sc= 0.253 USER MOD Set 4.2: B 82 SER OG : rot -31:sc= 1.4 USER MOD Set 5.1: A 122 LYS NZ :NH3+ -116:sc= 2.53 (180deg=1.8) USER MOD Set 5.2: B 83 ASN : amide:sc= 1.22 K(o=3.7,f=-3!) USER MOD Set 6.1: A 120 ASN : amide:sc= 0.548 K(o=0.096,f=-4.4!) USER MOD Set 6.2: B 120 ASN : amide:sc= -0.452 K(o=0.096,f=-4.6) USER MOD Set 7.1: A 114 THR OG1 : rot 78:sc= 1.85 USER MOD Set 7.2: A 117 LYS NZ :NH3+ -179:sc= 2.14 (180deg=1.04) USER MOD Set 8.1: A 108 TYR OH : rot 31:sc= 1.17 USER MOD Set 8.2: A 112 GLN : amide:sc= 1.1 K(o=2.3,f=0.63) USER MOD Set 9.1: A 103 GLN : amide:sc= 0.715 K(o=1.2,f=-0.37) USER MOD Set 9.2: A 107 ASN : amide:sc= 0.493 K(o=1.2,f=-0.37) USER MOD Set10.1: A 88 SER OG : rot 98:sc= 0.887 USER MOD Set10.2: B 88 SER OG : rot -67:sc= 1.76 USER MOD Set11.1: A 81 GLN : amide:sc= 1.94 K(o=5.2,f=1.7) USER MOD Set11.2: A 82 SER OG : rot 38:sc= 1.14 USER MOD Set11.3: B 123 LYS NZ :NH3+ -159:sc= 1.34 (180deg=-1.83) USER MOD Set11.4: B 125 TYR OH : rot 31:sc= 0.766 USER MOD Single : A 69 SER OG : rot -29:sc= 1.22 USER MOD Single : A 71 CYS SG : rot 13:sc= 1.36 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 1.14 K(o=1.1,f=-0.25) USER MOD Single : A 97 GLN : amide:sc= 1.05 K(o=1,f=-0.89) USER MOD Single : A 100 GLN : amide:sc= 1.06 K(o=1.1,f=-0.22) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 13:sc= 1.02 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.0455 K(o=-0.045,f=-3.1!) USER MOD Single : A 123 LYS NZ :NH3+ 163:sc= 1.27 (180deg=0.586) USER MOD Single : B 69 SER OG : rot 180:sc= 0.212 USER MOD Single : B 71 CYS SG : rot 180:sc= -0.178 USER MOD Single : B 79 TYR OH : rot 30:sc= -0.921 USER MOD Single : B 81 GLN : amide:sc= 1.11 K(o=1.1,f=-0.47) USER MOD Single : B 100 GLN : amide:sc= -0.801 X(o=-0.8,f=-0.5) USER MOD Single : B 101 SER OG : rot 35:sc= 1.47 USER MOD Single : B 103 GLN : amide:sc= 0.217 K(o=0.22,f=-4!) USER MOD Single : B 107 ASN : amide:sc= 1.05 K(o=1,f=-8.7!) USER MOD Single : B 108 TYR OH : rot -154:sc= 1.22 USER MOD Single : B 111 THR OG1 : rot 82:sc= 0.882 USER MOD Single : B 112 GLN : amide:sc= 0.352 X(o=0.35,f=-0.15) USER MOD Single : B 115 TYR OH : rot -22:sc= 1.62 USER MOD Single : B 121 GLN : amide:sc=-0.00456 X(o=-0.0046,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LEU A 68 -8.106 9.043 -6.691 1.00 0.00 N ATOM 115 CA LEU A 68 -8.889 8.425 -5.624 1.00 0.00 C ATOM 116 C LEU A 68 -10.376 8.722 -5.879 1.00 0.00 C ATOM 117 O LEU A 68 -10.923 9.712 -5.399 1.00 0.00 O ATOM 118 CB LEU A 68 -8.377 8.873 -4.242 1.00 0.00 C ATOM 119 CG LEU A 68 -7.590 7.766 -3.513 1.00 0.00 C ATOM 120 CD1 LEU A 68 -6.328 7.362 -4.283 1.00 0.00 C ATOM 121 CD2 LEU A 68 -7.184 8.278 -2.128 1.00 0.00 C ATOM 0 HA LEU A 68 -8.771 7.341 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.739 9.749 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.223 9.177 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.233 6.889 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.802 6.580 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.607 6.990 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.676 8.228 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.626 7.503 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.559 9.164 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.077 8.532 -1.558 1.00 0.00 H new ATOM 133 N SER A 69 -11.013 7.882 -6.696 1.00 0.00 N ATOM 134 CA SER A 69 -12.452 7.854 -6.939 1.00 0.00 C ATOM 135 C SER A 69 -13.101 6.580 -6.356 1.00 0.00 C ATOM 136 O SER A 69 -12.626 6.045 -5.360 1.00 0.00 O ATOM 137 CB SER A 69 -12.727 8.085 -8.435 1.00 0.00 C ATOM 138 OG SER A 69 -12.577 6.908 -9.208 1.00 0.00 O ATOM 0 H SER A 69 -10.514 7.170 -7.230 1.00 0.00 H new ATOM 0 HA SER A 69 -12.935 8.672 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.740 8.469 -8.559 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.048 8.850 -8.811 1.00 0.00 H new ATOM 0 HG SER A 69 -11.922 6.317 -8.781 1.00 0.00 H new ATOM 144 N ALA A 70 -14.226 6.134 -6.915 1.00 0.00 N ATOM 145 CA ALA A 70 -15.189 5.265 -6.231 1.00 0.00 C ATOM 146 C ALA A 70 -14.594 4.009 -5.560 1.00 0.00 C ATOM 147 O ALA A 70 -14.513 3.934 -4.336 1.00 0.00 O ATOM 148 CB ALA A 70 -16.318 4.911 -7.205 1.00 0.00 C ATOM 0 H ALA A 70 -14.500 6.368 -7.869 1.00 0.00 H new ATOM 0 HA ALA A 70 -15.575 5.837 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -17.040 4.265 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.815 5.824 -7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.903 4.392 -8.069 1.00 0.00 H new ATOM 154 N CYS A 71 -14.227 2.998 -6.347 1.00 0.00 N ATOM 155 CA CYS A 71 -13.765 1.718 -5.820 1.00 0.00 C ATOM 156 C CYS A 71 -12.511 1.841 -4.943 1.00 0.00 C ATOM 157 O CYS A 71 -12.457 1.291 -3.846 1.00 0.00 O ATOM 158 CB CYS A 71 -13.574 0.697 -6.951 1.00 0.00 C ATOM 159 SG CYS A 71 -12.667 1.327 -8.388 1.00 0.00 S ATOM 0 H CYS A 71 -14.242 3.045 -7.366 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.550 1.351 -5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -13.045 -0.170 -6.555 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -14.554 0.350 -7.279 1.00 0.00 H new ATOM 0 HG CYS A 71 -12.110 2.462 -8.086 1.00 0.00 H new ATOM 165 N GLU A 72 -11.496 2.563 -5.405 1.00 0.00 N ATOM 166 CA GLU A 72 -10.239 2.726 -4.701 1.00 0.00 C ATOM 167 C GLU A 72 -10.431 3.449 -3.354 1.00 0.00 C ATOM 168 O GLU A 72 -9.902 3.010 -2.336 1.00 0.00 O ATOM 169 CB GLU A 72 -9.193 3.358 -5.642 1.00 0.00 C ATOM 170 CG GLU A 72 -9.536 4.733 -6.252 1.00 0.00 C ATOM 171 CD GLU A 72 -10.395 4.747 -7.513 1.00 0.00 C ATOM 172 OE1 GLU A 72 -11.156 3.789 -7.745 1.00 0.00 O ATOM 173 OE2 GLU A 72 -10.338 5.781 -8.212 1.00 0.00 O ATOM 0 H GLU A 72 -11.529 3.059 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.841 1.751 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.258 3.456 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.009 2.661 -6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.047 5.322 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.600 5.245 -6.476 1.00 0.00 H new ATOM 180 N VAL A 73 -11.249 4.505 -3.309 1.00 0.00 N ATOM 181 CA VAL A 73 -11.597 5.172 -2.053 1.00 0.00 C ATOM 182 C VAL A 73 -12.421 4.257 -1.141 1.00 0.00 C ATOM 183 O VAL A 73 -12.107 4.132 0.035 1.00 0.00 O ATOM 184 CB VAL A 73 -12.298 6.512 -2.318 1.00 0.00 C ATOM 185 CG1 VAL A 73 -12.772 7.174 -1.021 1.00 0.00 C ATOM 186 CG2 VAL A 73 -11.317 7.485 -2.971 1.00 0.00 C ATOM 0 H VAL A 73 -11.684 4.917 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.672 5.392 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.153 6.299 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.262 8.119 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.476 6.515 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.915 7.359 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.817 8.435 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.468 7.646 -2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.965 7.068 -3.915 1.00 0.00 H new ATOM 196 N ALA A 74 -13.442 3.579 -1.670 1.00 0.00 N ATOM 197 CA ALA A 74 -14.256 2.650 -0.879 1.00 0.00 C ATOM 198 C ALA A 74 -13.392 1.552 -0.236 1.00 0.00 C ATOM 199 O ALA A 74 -13.571 1.169 0.918 1.00 0.00 O ATOM 200 CB ALA A 74 -15.344 2.048 -1.773 1.00 0.00 C ATOM 0 H ALA A 74 -13.726 3.656 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.726 3.198 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.952 1.356 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.976 2.845 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.880 1.513 -2.601 1.00 0.00 H new ATOM 206 N VAL A 75 -12.415 1.056 -0.990 1.00 0.00 N ATOM 207 CA VAL A 75 -11.447 0.084 -0.500 1.00 0.00 C ATOM 208 C VAL A 75 -10.467 0.703 0.521 1.00 0.00 C ATOM 209 O VAL A 75 -10.127 0.068 1.524 1.00 0.00 O ATOM 210 CB VAL A 75 -10.825 -0.646 -1.702 1.00 0.00 C ATOM 211 CG1 VAL A 75 -9.558 -1.406 -1.322 1.00 0.00 C ATOM 212 CG2 VAL A 75 -11.859 -1.644 -2.222 1.00 0.00 C ATOM 0 H VAL A 75 -12.273 1.320 -1.965 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.934 -0.688 0.095 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.552 0.092 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.155 -1.905 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.818 -0.708 -0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.794 -2.149 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.449 -2.181 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.108 -2.354 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.759 -1.110 -2.526 1.00 0.00 H new ATOM 222 N LEU A 76 -10.060 1.959 0.329 1.00 0.00 N ATOM 223 CA LEU A 76 -9.327 2.715 1.352 1.00 0.00 C ATOM 224 C LEU A 76 -10.108 2.913 2.664 1.00 0.00 C ATOM 225 O LEU A 76 -9.573 2.776 3.764 1.00 0.00 O ATOM 226 CB LEU A 76 -8.770 4.029 0.789 1.00 0.00 C ATOM 227 CG LEU A 76 -7.238 3.955 0.721 1.00 0.00 C ATOM 228 CD1 LEU A 76 -6.701 5.079 -0.159 1.00 0.00 C ATOM 229 CD2 LEU A 76 -6.605 4.075 2.116 1.00 0.00 C ATOM 0 H LEU A 76 -10.226 2.480 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.476 2.094 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.179 4.213 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.076 4.864 1.419 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.975 2.985 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.613 5.019 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.110 4.981 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.995 6.041 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.520 4.018 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.884 5.030 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.961 3.262 2.748 1.00 0.00 H new ATOM 241 N ASP A 77 -11.401 3.179 2.549 1.00 0.00 N ATOM 242 CA ASP A 77 -12.277 3.324 3.702 1.00 0.00 C ATOM 243 C ASP A 77 -12.378 1.978 4.432 1.00 0.00 C ATOM 244 O ASP A 77 -12.071 1.879 5.616 1.00 0.00 O ATOM 245 CB ASP A 77 -13.629 3.875 3.233 1.00 0.00 C ATOM 246 CG ASP A 77 -14.603 3.982 4.386 1.00 0.00 C ATOM 247 OD1 ASP A 77 -15.229 2.941 4.681 1.00 0.00 O ATOM 248 OD2 ASP A 77 -14.699 5.080 4.965 1.00 0.00 O ATOM 0 H ASP A 77 -11.873 3.300 1.653 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.877 4.038 4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.488 4.856 2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -14.043 3.225 2.462 1.00 0.00 H new ATOM 253 N LEU A 78 -12.669 0.896 3.701 1.00 0.00 N ATOM 254 CA LEU A 78 -12.598 -0.462 4.218 1.00 0.00 C ATOM 255 C LEU A 78 -11.304 -0.716 5.010 1.00 0.00 C ATOM 256 O LEU A 78 -11.367 -1.227 6.133 1.00 0.00 O ATOM 257 CB LEU A 78 -12.776 -1.455 3.061 1.00 0.00 C ATOM 258 CG LEU A 78 -14.245 -1.692 2.683 1.00 0.00 C ATOM 259 CD1 LEU A 78 -14.345 -2.343 1.298 1.00 0.00 C ATOM 260 CD2 LEU A 78 -14.949 -2.609 3.691 1.00 0.00 C ATOM 0 H LEU A 78 -12.962 0.946 2.725 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.410 -0.608 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.239 -1.085 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.321 -2.407 3.335 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.731 -0.716 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.393 -2.504 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.890 -1.689 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.823 -3.300 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.986 -2.753 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.443 -3.574 3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.919 -2.153 4.681 1.00 0.00 H new ATOM 272 N TYR A 79 -10.125 -0.366 4.482 1.00 0.00 N ATOM 273 CA TYR A 79 -8.886 -0.464 5.253 1.00 0.00 C ATOM 274 C TYR A 79 -8.984 0.197 6.637 1.00 0.00 C ATOM 275 O TYR A 79 -8.695 -0.471 7.631 1.00 0.00 O ATOM 276 CB TYR A 79 -7.696 0.138 4.486 1.00 0.00 C ATOM 277 CG TYR A 79 -7.141 -0.711 3.373 1.00 0.00 C ATOM 278 CD1 TYR A 79 -6.835 -2.063 3.591 1.00 0.00 C ATOM 279 CD2 TYR A 79 -6.997 -0.177 2.087 1.00 0.00 C ATOM 280 CE1 TYR A 79 -6.718 -2.925 2.491 1.00 0.00 C ATOM 281 CE2 TYR A 79 -6.953 -1.045 0.991 1.00 0.00 C ATOM 282 CZ TYR A 79 -6.968 -2.424 1.205 1.00 0.00 C ATOM 283 OH TYR A 79 -7.051 -3.290 0.165 1.00 0.00 O ATOM 0 H TYR A 79 -10.006 -0.015 3.532 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.721 -1.531 5.403 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.004 1.097 4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -6.895 0.342 5.197 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.691 -2.435 4.594 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.921 0.891 1.943 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.440 -3.959 2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.908 -0.651 -0.014 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.229 -2.793 -0.661 1.00 0.00 H new ATOM 293 N GLU A 80 -9.388 1.467 6.724 1.00 0.00 N ATOM 294 CA GLU A 80 -9.362 2.207 7.989 1.00 0.00 C ATOM 295 C GLU A 80 -10.573 1.957 8.907 1.00 0.00 C ATOM 296 O GLU A 80 -10.415 1.940 10.127 1.00 0.00 O ATOM 297 CB GLU A 80 -9.012 3.681 7.757 1.00 0.00 C ATOM 298 CG GLU A 80 -7.547 3.848 7.285 1.00 0.00 C ATOM 299 CD GLU A 80 -6.457 3.729 8.361 1.00 0.00 C ATOM 300 OE1 GLU A 80 -6.594 2.880 9.273 1.00 0.00 O ATOM 301 OE2 GLU A 80 -5.473 4.490 8.260 1.00 0.00 O ATOM 0 H GLU A 80 -9.738 2.006 5.932 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.547 1.790 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.686 4.103 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.165 4.242 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.350 3.100 6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.452 4.825 6.811 1.00 0.00 H new ATOM 308 N GLN A 81 -11.734 1.560 8.374 1.00 0.00 N ATOM 309 CA GLN A 81 -12.713 0.789 9.157 1.00 0.00 C ATOM 310 C GLN A 81 -12.004 -0.384 9.860 1.00 0.00 C ATOM 311 O GLN A 81 -12.209 -0.686 11.034 1.00 0.00 O ATOM 312 CB GLN A 81 -13.780 0.142 8.265 1.00 0.00 C ATOM 313 CG GLN A 81 -14.757 1.012 7.468 1.00 0.00 C ATOM 314 CD GLN A 81 -15.660 0.104 6.629 1.00 0.00 C ATOM 315 OE1 GLN A 81 -15.811 -1.084 6.916 1.00 0.00 O ATOM 316 NE2 GLN A 81 -16.246 0.606 5.566 1.00 0.00 N ATOM 0 H GLN A 81 -12.019 1.756 7.414 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.170 1.490 9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.259 -0.495 7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.376 -0.513 8.900 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.358 1.620 8.144 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.210 1.699 6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.119 1.590 5.331 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.828 0.011 4.976 1.00 0.00 H new ATOM 325 N SER A 82 -11.138 -1.069 9.108 1.00 0.00 N ATOM 326 CA SER A 82 -10.304 -2.145 9.616 1.00 0.00 C ATOM 327 C SER A 82 -9.059 -1.697 10.409 1.00 0.00 C ATOM 328 O SER A 82 -8.355 -2.577 10.914 1.00 0.00 O ATOM 329 CB SER A 82 -9.964 -3.123 8.484 1.00 0.00 C ATOM 330 OG SER A 82 -10.943 -4.153 8.515 1.00 0.00 O ATOM 0 H SER A 82 -11.000 -0.883 8.115 1.00 0.00 H new ATOM 0 HA SER A 82 -10.901 -2.661 10.368 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.970 -2.614 7.520 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.965 -3.537 8.619 1.00 0.00 H new ATOM 0 HG SER A 82 -11.816 -3.768 8.741 1.00 0.00 H new ATOM 336 N ASN A 83 -8.820 -0.390 10.528 1.00 0.00 N ATOM 337 CA ASN A 83 -7.593 0.281 10.958 1.00 0.00 C ATOM 338 C ASN A 83 -6.315 -0.216 10.256 1.00 0.00 C ATOM 339 O ASN A 83 -5.462 -0.833 10.893 1.00 0.00 O ATOM 340 CB ASN A 83 -7.444 0.300 12.483 1.00 0.00 C ATOM 341 CG ASN A 83 -6.182 1.065 12.880 1.00 0.00 C ATOM 342 OD1 ASN A 83 -5.270 0.522 13.501 1.00 0.00 O ATOM 343 ND2 ASN A 83 -6.047 2.312 12.465 1.00 0.00 N ATOM 0 H ASN A 83 -9.549 0.288 10.305 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.711 1.313 10.628 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.319 0.767 12.935 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.395 -0.720 12.864 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.187 2.824 12.660 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.803 2.763 11.950 1.00 0.00 H new ATOM 350 N ILE A 84 -6.159 0.051 8.965 1.00 0.00 N ATOM 351 CA ILE A 84 -4.969 -0.273 8.185 1.00 0.00 C ATOM 352 C ILE A 84 -4.443 0.973 7.479 1.00 0.00 C ATOM 353 O ILE A 84 -5.002 1.395 6.469 1.00 0.00 O ATOM 354 CB ILE A 84 -5.310 -1.374 7.171 1.00 0.00 C ATOM 355 CG1 ILE A 84 -5.522 -2.688 7.924 1.00 0.00 C ATOM 356 CG2 ILE A 84 -4.206 -1.555 6.112 1.00 0.00 C ATOM 357 CD1 ILE A 84 -6.324 -3.675 7.093 1.00 0.00 C ATOM 0 H ILE A 84 -6.881 0.514 8.413 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.186 -0.636 8.850 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.217 -1.080 6.643 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.556 -3.124 8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.041 -2.493 8.862 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.494 -2.345 5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.071 -0.622 5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.272 -1.826 6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.458 -4.599 7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.299 -3.247 6.860 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.791 -3.888 6.166 1.00 0.00 H new ATOM 369 N ARG A 85 -3.285 1.474 7.905 1.00 0.00 N ATOM 370 CA ARG A 85 -2.611 2.453 7.063 1.00 0.00 C ATOM 371 C ARG A 85 -2.136 1.788 5.759 1.00 0.00 C ATOM 372 O ARG A 85 -1.635 0.659 5.753 1.00 0.00 O ATOM 373 CB ARG A 85 -1.445 3.141 7.782 1.00 0.00 C ATOM 374 CG ARG A 85 -1.864 4.024 8.963 1.00 0.00 C ATOM 375 CD ARG A 85 -1.082 5.350 8.943 1.00 0.00 C ATOM 376 NE ARG A 85 0.385 5.144 9.026 1.00 0.00 N ATOM 377 CZ ARG A 85 1.353 5.963 8.583 1.00 0.00 C ATOM 378 NH1 ARG A 85 1.101 6.964 7.765 1.00 0.00 N ATOM 379 NH2 ARG A 85 2.609 5.789 8.947 1.00 0.00 N ATOM 0 H ARG A 85 -2.816 1.234 8.779 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.334 3.234 6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.754 2.378 8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.900 3.752 7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.934 4.224 8.914 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.680 3.500 9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.318 5.894 8.029 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.406 5.972 9.777 1.00 0.00 H new ATOM 0 HE ARG A 85 0.694 4.280 9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.147 7.136 7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.860 7.567 7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.857 5.024 9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.332 6.420 8.602 1.00 0.00 H new ATOM 393 N ILE A 86 -2.266 2.502 4.644 1.00 0.00 N ATOM 394 CA ILE A 86 -1.657 2.168 3.360 1.00 0.00 C ATOM 395 C ILE A 86 -0.457 3.106 3.136 1.00 0.00 C ATOM 396 O ILE A 86 -0.624 4.319 3.248 1.00 0.00 O ATOM 397 CB ILE A 86 -2.724 2.288 2.258 1.00 0.00 C ATOM 398 CG1 ILE A 86 -3.866 1.264 2.420 1.00 0.00 C ATOM 399 CG2 ILE A 86 -2.098 2.147 0.871 1.00 0.00 C ATOM 400 CD1 ILE A 86 -3.454 -0.208 2.255 1.00 0.00 C ATOM 0 H ILE A 86 -2.818 3.359 4.609 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.286 1.143 3.340 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.157 3.283 2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.310 1.392 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.643 1.491 1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.874 2.236 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.356 2.932 0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.617 1.173 0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.327 -0.847 2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.040 -0.360 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.702 -0.461 3.003 1.00 0.00 H new ATOM 412 N PRO A 87 0.757 2.589 2.873 1.00 0.00 N ATOM 413 CA PRO A 87 1.890 3.445 2.562 1.00 0.00 C ATOM 414 C PRO A 87 1.699 4.013 1.149 1.00 0.00 C ATOM 415 O PRO A 87 1.311 3.278 0.240 1.00 0.00 O ATOM 416 CB PRO A 87 3.118 2.541 2.681 1.00 0.00 C ATOM 417 CG PRO A 87 2.586 1.157 2.305 1.00 0.00 C ATOM 418 CD PRO A 87 1.120 1.183 2.751 1.00 0.00 C ATOM 0 HA PRO A 87 1.997 4.302 3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.916 2.859 2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.527 2.552 3.691 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.673 0.974 1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.142 0.366 2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.483 0.678 2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.993 0.664 3.701 1.00 0.00 H new ATOM 426 N SER A 88 1.949 5.311 0.969 1.00 0.00 N ATOM 427 CA SER A 88 1.785 6.066 -0.273 1.00 0.00 C ATOM 428 C SER A 88 2.258 5.302 -1.513 1.00 0.00 C ATOM 429 O SER A 88 1.605 5.350 -2.547 1.00 0.00 O ATOM 430 CB SER A 88 2.513 7.417 -0.155 1.00 0.00 C ATOM 431 OG SER A 88 2.821 7.712 1.198 1.00 0.00 O ATOM 0 H SER A 88 2.291 5.897 1.731 1.00 0.00 H new ATOM 0 HA SER A 88 0.716 6.230 -0.412 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.430 7.393 -0.743 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.889 8.208 -0.570 1.00 0.00 H new ATOM 0 HG SER A 88 3.753 7.470 1.382 1.00 0.00 H new ATOM 437 N ASP A 89 3.363 4.570 -1.402 1.00 0.00 N ATOM 438 CA ASP A 89 3.903 3.696 -2.433 1.00 0.00 C ATOM 439 C ASP A 89 2.841 2.795 -3.101 1.00 0.00 C ATOM 440 O ASP A 89 2.785 2.686 -4.322 1.00 0.00 O ATOM 441 CB ASP A 89 5.005 2.862 -1.765 1.00 0.00 C ATOM 442 CG ASP A 89 6.024 3.714 -1.042 1.00 0.00 C ATOM 443 OD1 ASP A 89 5.712 4.157 0.083 1.00 0.00 O ATOM 444 OD2 ASP A 89 7.124 3.881 -1.600 1.00 0.00 O ATOM 0 H ASP A 89 3.929 4.572 -0.554 1.00 0.00 H new ATOM 0 HA ASP A 89 4.295 4.301 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.551 2.167 -1.058 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.510 2.262 -2.522 1.00 0.00 H new ATOM 449 N ILE A 90 1.982 2.148 -2.303 1.00 0.00 N ATOM 450 CA ILE A 90 0.830 1.411 -2.838 1.00 0.00 C ATOM 451 C ILE A 90 -0.019 2.325 -3.727 1.00 0.00 C ATOM 452 O ILE A 90 -0.377 1.977 -4.843 1.00 0.00 O ATOM 453 CB ILE A 90 -0.049 0.878 -1.686 1.00 0.00 C ATOM 454 CG1 ILE A 90 0.605 -0.256 -0.881 1.00 0.00 C ATOM 455 CG2 ILE A 90 -1.448 0.449 -2.161 1.00 0.00 C ATOM 456 CD1 ILE A 90 0.670 -1.589 -1.630 1.00 0.00 C ATOM 0 H ILE A 90 2.063 2.120 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 90 1.207 0.574 -3.427 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.157 1.729 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.616 0.044 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.049 -0.398 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.024 0.082 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.959 1.303 -2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.353 -0.343 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.144 -2.339 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.339 -1.914 -1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.251 -1.465 -2.544 1.00 0.00 H new ATOM 468 N ILE A 91 -0.391 3.486 -3.197 1.00 0.00 N ATOM 469 CA ILE A 91 -1.336 4.389 -3.842 1.00 0.00 C ATOM 470 C ILE A 91 -0.749 4.945 -5.149 1.00 0.00 C ATOM 471 O ILE A 91 -1.429 4.959 -6.171 1.00 0.00 O ATOM 472 CB ILE A 91 -1.747 5.473 -2.823 1.00 0.00 C ATOM 473 CG1 ILE A 91 -2.473 4.798 -1.641 1.00 0.00 C ATOM 474 CG2 ILE A 91 -2.639 6.536 -3.475 1.00 0.00 C ATOM 475 CD1 ILE A 91 -2.658 5.700 -0.416 1.00 0.00 C ATOM 0 H ILE A 91 -0.042 3.828 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.242 3.862 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.853 5.981 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.452 4.457 -1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.912 3.912 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.913 7.286 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.098 7.014 -4.292 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.541 6.065 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.177 5.148 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.683 6.020 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.247 6.574 -0.694 1.00 0.00 H new ATOM 487 N GLU A 92 0.524 5.351 -5.130 1.00 0.00 N ATOM 488 CA GLU A 92 1.310 5.724 -6.306 1.00 0.00 C ATOM 489 C GLU A 92 1.160 4.683 -7.431 1.00 0.00 C ATOM 490 O GLU A 92 0.660 4.991 -8.515 1.00 0.00 O ATOM 491 CB GLU A 92 2.768 5.912 -5.838 1.00 0.00 C ATOM 492 CG GLU A 92 3.837 5.940 -6.949 1.00 0.00 C ATOM 493 CD GLU A 92 3.596 6.910 -8.087 1.00 0.00 C ATOM 494 OE1 GLU A 92 2.987 7.983 -7.882 1.00 0.00 O ATOM 495 OE2 GLU A 92 4.008 6.591 -9.223 1.00 0.00 O ATOM 0 H GLU A 92 1.054 5.431 -4.262 1.00 0.00 H new ATOM 0 HA GLU A 92 0.952 6.657 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.831 6.844 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.013 5.106 -5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.798 6.179 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.923 4.937 -7.367 1.00 0.00 H new ATOM 502 N ASP A 93 1.539 3.437 -7.144 1.00 0.00 N ATOM 503 CA ASP A 93 1.462 2.328 -8.079 1.00 0.00 C ATOM 504 C ASP A 93 0.015 2.131 -8.569 1.00 0.00 C ATOM 505 O ASP A 93 -0.298 2.272 -9.751 1.00 0.00 O ATOM 506 CB ASP A 93 2.038 1.106 -7.346 1.00 0.00 C ATOM 507 CG ASP A 93 1.837 -0.172 -8.119 1.00 0.00 C ATOM 508 OD1 ASP A 93 1.889 -0.114 -9.362 1.00 0.00 O ATOM 509 OD2 ASP A 93 1.593 -1.206 -7.464 1.00 0.00 O ATOM 0 H ASP A 93 1.915 3.171 -6.234 1.00 0.00 H new ATOM 0 HA ASP A 93 2.040 2.508 -8.985 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.103 1.259 -7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.564 1.015 -6.368 1.00 0.00 H new ATOM 514 N LEU A 94 -0.893 1.878 -7.634 1.00 0.00 N ATOM 515 CA LEU A 94 -2.292 1.558 -7.929 1.00 0.00 C ATOM 516 C LEU A 94 -2.951 2.621 -8.830 1.00 0.00 C ATOM 517 O LEU A 94 -3.530 2.319 -9.877 1.00 0.00 O ATOM 518 CB LEU A 94 -3.075 1.407 -6.617 1.00 0.00 C ATOM 519 CG LEU A 94 -4.200 0.363 -6.635 1.00 0.00 C ATOM 520 CD1 LEU A 94 -5.298 0.797 -5.673 1.00 0.00 C ATOM 521 CD2 LEU A 94 -4.851 0.051 -7.989 1.00 0.00 C ATOM 0 H LEU A 94 -0.680 1.888 -6.637 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.312 0.616 -8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.374 1.147 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.505 2.374 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.700 -0.561 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.101 0.060 -5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.889 0.877 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.692 1.765 -5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.628 -0.702 -7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.293 0.959 -8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.095 -0.327 -8.678 1.00 0.00 H new ATOM 533 N VAL A 95 -2.835 3.890 -8.430 1.00 0.00 N ATOM 534 CA VAL A 95 -3.337 5.037 -9.181 1.00 0.00 C ATOM 535 C VAL A 95 -2.645 5.204 -10.551 1.00 0.00 C ATOM 536 O VAL A 95 -3.264 5.748 -11.470 1.00 0.00 O ATOM 537 CB VAL A 95 -3.300 6.300 -8.298 1.00 0.00 C ATOM 538 CG1 VAL A 95 -3.757 7.559 -9.043 1.00 0.00 C ATOM 539 CG2 VAL A 95 -4.222 6.135 -7.080 1.00 0.00 C ATOM 0 H VAL A 95 -2.379 4.151 -7.556 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.381 4.855 -9.437 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.259 6.419 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.710 8.416 -8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.105 7.732 -9.899 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.782 7.425 -9.389 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.182 7.037 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.245 5.970 -7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.893 5.281 -6.488 1.00 0.00 H new ATOM 549 N ASN A 96 -1.423 4.691 -10.748 1.00 0.00 N ATOM 550 CA ASN A 96 -0.885 4.489 -12.098 1.00 0.00 C ATOM 551 C ASN A 96 -1.637 3.370 -12.843 1.00 0.00 C ATOM 552 O ASN A 96 -2.169 3.601 -13.924 1.00 0.00 O ATOM 553 CB ASN A 96 0.623 4.185 -12.095 1.00 0.00 C ATOM 554 CG ASN A 96 1.478 5.247 -11.420 1.00 0.00 C ATOM 555 OD1 ASN A 96 1.215 6.444 -11.509 1.00 0.00 O ATOM 556 ND2 ASN A 96 2.561 4.830 -10.788 1.00 0.00 N ATOM 0 H ASN A 96 -0.794 4.411 -9.996 1.00 0.00 H new ATOM 0 HA ASN A 96 -1.035 5.432 -12.624 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.788 3.231 -11.594 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.959 4.066 -13.125 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.196 5.506 -10.363 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.762 3.832 -10.725 1.00 0.00 H new ATOM 563 N GLN A 97 -1.681 2.150 -12.297 1.00 0.00 N ATOM 564 CA GLN A 97 -2.239 0.989 -13.009 1.00 0.00 C ATOM 565 C GLN A 97 -3.717 1.156 -13.420 1.00 0.00 C ATOM 566 O GLN A 97 -4.095 0.838 -14.546 1.00 0.00 O ATOM 567 CB GLN A 97 -2.054 -0.307 -12.202 1.00 0.00 C ATOM 568 CG GLN A 97 -0.642 -0.567 -11.643 1.00 0.00 C ATOM 569 CD GLN A 97 0.512 -0.328 -12.611 1.00 0.00 C ATOM 570 OE1 GLN A 97 0.383 -0.430 -13.824 1.00 0.00 O ATOM 571 NE2 GLN A 97 1.683 -0.013 -12.091 1.00 0.00 N ATOM 0 H GLN A 97 -1.336 1.938 -11.361 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.667 0.921 -13.935 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.755 -0.294 -11.368 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.331 -1.148 -12.837 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.495 0.068 -10.769 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.593 -1.600 -11.298 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.786 0.071 -11.080 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.485 0.147 -12.700 1.00 0.00 H new ATOM 580 N ARG A 98 -4.552 1.654 -12.505 1.00 0.00 N ATOM 581 CA ARG A 98 -5.960 1.995 -12.741 1.00 0.00 C ATOM 582 C ARG A 98 -6.873 0.807 -13.074 1.00 0.00 C ATOM 583 O ARG A 98 -7.402 0.698 -14.181 1.00 0.00 O ATOM 584 CB ARG A 98 -6.094 3.091 -13.803 1.00 0.00 C ATOM 585 CG ARG A 98 -5.441 4.393 -13.355 1.00 0.00 C ATOM 586 CD ARG A 98 -6.278 5.083 -12.261 1.00 0.00 C ATOM 587 NE ARG A 98 -6.755 6.406 -12.695 1.00 0.00 N ATOM 588 CZ ARG A 98 -6.014 7.396 -13.190 1.00 0.00 C ATOM 589 NH1 ARG A 98 -4.698 7.340 -13.202 1.00 0.00 N ATOM 590 NH2 ARG A 98 -6.628 8.449 -13.682 1.00 0.00 N ATOM 0 H ARG A 98 -4.258 1.838 -11.546 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.315 2.368 -11.780 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.635 2.755 -14.733 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.149 3.267 -14.014 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.439 4.190 -12.977 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.331 5.061 -14.209 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.131 4.455 -12.005 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -5.678 5.191 -11.357 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.756 6.583 -12.608 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.219 6.522 -12.825 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.158 8.114 -13.588 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.647 8.493 -13.678 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.085 9.222 -14.068 1.00 0.00 H new ATOM 604 N LEU A 99 -7.127 -0.008 -12.056 1.00 0.00 N ATOM 605 CA LEU A 99 -8.205 -0.997 -12.022 1.00 0.00 C ATOM 606 C LEU A 99 -9.585 -0.308 -11.923 1.00 0.00 C ATOM 607 O LEU A 99 -9.664 0.919 -11.992 1.00 0.00 O ATOM 608 CB LEU A 99 -7.918 -1.953 -10.854 1.00 0.00 C ATOM 609 CG LEU A 99 -6.467 -2.472 -10.853 1.00 0.00 C ATOM 610 CD1 LEU A 99 -6.211 -3.383 -9.655 1.00 0.00 C ATOM 611 CD2 LEU A 99 -6.127 -3.237 -12.137 1.00 0.00 C ATOM 0 H LEU A 99 -6.571 -0.000 -11.201 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.240 -1.573 -12.946 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.117 -1.440 -9.913 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.602 -2.800 -10.906 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.827 -1.592 -10.791 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.180 -3.735 -9.679 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.384 -2.828 -8.733 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.887 -4.237 -9.697 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.095 -3.584 -12.091 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.793 -4.094 -12.237 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.251 -2.578 -12.997 1.00 0.00 H new ATOM 623 N GLN A 100 -10.673 -1.073 -11.799 1.00 0.00 N ATOM 624 CA GLN A 100 -12.038 -0.527 -11.859 1.00 0.00 C ATOM 625 C GLN A 100 -13.073 -1.151 -10.899 1.00 0.00 C ATOM 626 O GLN A 100 -14.058 -0.491 -10.573 1.00 0.00 O ATOM 627 CB GLN A 100 -12.542 -0.520 -13.313 1.00 0.00 C ATOM 628 CG GLN A 100 -12.433 -1.875 -14.035 1.00 0.00 C ATOM 629 CD GLN A 100 -11.086 -2.072 -14.726 1.00 0.00 C ATOM 630 OE1 GLN A 100 -10.791 -1.432 -15.728 1.00 0.00 O ATOM 631 NE2 GLN A 100 -10.248 -2.956 -14.224 1.00 0.00 N ATOM 0 H GLN A 100 -10.637 -2.082 -11.655 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.945 0.493 -11.486 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -13.584 -0.202 -13.321 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.977 0.223 -13.876 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -12.587 -2.678 -13.315 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.230 -1.952 -14.775 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.503 -3.484 -13.389 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.344 -3.113 -14.670 1.00 0.00 H new ATOM 640 N SER A 101 -12.908 -2.401 -10.460 1.00 0.00 N ATOM 641 CA SER A 101 -13.882 -3.058 -9.577 1.00 0.00 C ATOM 642 C SER A 101 -13.469 -3.062 -8.095 1.00 0.00 C ATOM 643 O SER A 101 -12.308 -3.308 -7.759 1.00 0.00 O ATOM 644 CB SER A 101 -14.151 -4.484 -10.061 1.00 0.00 C ATOM 645 OG SER A 101 -15.261 -5.026 -9.364 1.00 0.00 O ATOM 0 H SER A 101 -12.106 -2.983 -10.702 1.00 0.00 H new ATOM 0 HA SER A 101 -14.796 -2.467 -9.633 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.348 -4.483 -11.133 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.270 -5.105 -9.900 1.00 0.00 H new ATOM 0 HG SER A 101 -15.431 -5.939 -9.678 1.00 0.00 H new ATOM 651 N GLU A 102 -14.444 -2.850 -7.203 1.00 0.00 N ATOM 652 CA GLU A 102 -14.401 -2.983 -5.746 1.00 0.00 C ATOM 653 C GLU A 102 -14.171 -4.465 -5.355 1.00 0.00 C ATOM 654 O GLU A 102 -15.044 -5.189 -4.875 1.00 0.00 O ATOM 655 CB GLU A 102 -15.699 -2.353 -5.197 1.00 0.00 C ATOM 656 CG GLU A 102 -15.529 -1.683 -3.822 1.00 0.00 C ATOM 657 CD GLU A 102 -15.246 -2.653 -2.699 1.00 0.00 C ATOM 658 OE1 GLU A 102 -14.182 -3.307 -2.735 1.00 0.00 O ATOM 659 OE2 GLU A 102 -16.108 -2.825 -1.811 1.00 0.00 O ATOM 0 H GLU A 102 -15.369 -2.553 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.562 -2.452 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.062 -1.612 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -16.464 -3.126 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -14.715 -0.961 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.435 -1.124 -3.587 1.00 0.00 H new ATOM 666 N GLN A 103 -12.969 -4.927 -5.688 1.00 0.00 N ATOM 667 CA GLN A 103 -12.482 -6.304 -5.704 1.00 0.00 C ATOM 668 C GLN A 103 -11.065 -6.312 -6.289 1.00 0.00 C ATOM 669 O GLN A 103 -10.119 -6.760 -5.651 1.00 0.00 O ATOM 670 CB GLN A 103 -13.436 -7.203 -6.517 1.00 0.00 C ATOM 671 CG GLN A 103 -12.841 -8.569 -6.911 1.00 0.00 C ATOM 672 CD GLN A 103 -12.324 -9.380 -5.728 1.00 0.00 C ATOM 673 OE1 GLN A 103 -11.126 -9.526 -5.529 1.00 0.00 O ATOM 674 NE2 GLN A 103 -13.209 -9.945 -4.931 1.00 0.00 N ATOM 0 H GLN A 103 -12.237 -4.281 -5.983 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.451 -6.704 -4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.343 -7.369 -5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.731 -6.674 -7.423 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.602 -9.149 -7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.024 -8.409 -7.615 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.206 -9.818 -5.105 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -12.897 -10.509 -4.141 1.00 0.00 H new ATOM 683 N GLU A 104 -10.905 -5.773 -7.493 1.00 0.00 N ATOM 684 CA GLU A 104 -9.612 -5.634 -8.148 1.00 0.00 C ATOM 685 C GLU A 104 -8.669 -4.784 -7.304 1.00 0.00 C ATOM 686 O GLU A 104 -7.564 -5.202 -6.969 1.00 0.00 O ATOM 687 CB GLU A 104 -9.834 -4.964 -9.498 1.00 0.00 C ATOM 688 CG GLU A 104 -10.642 -5.844 -10.457 1.00 0.00 C ATOM 689 CD GLU A 104 -11.276 -5.028 -11.576 1.00 0.00 C ATOM 690 OE1 GLU A 104 -10.890 -3.847 -11.731 1.00 0.00 O ATOM 691 OE2 GLU A 104 -12.220 -5.548 -12.197 1.00 0.00 O ATOM 0 H GLU A 104 -11.682 -5.416 -8.048 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.159 -6.617 -8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.355 -4.018 -9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.869 -4.730 -9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.991 -6.606 -10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.421 -6.366 -9.902 1.00 0.00 H new ATOM 698 N VAL A 105 -9.139 -3.601 -6.900 1.00 0.00 N ATOM 699 CA VAL A 105 -8.356 -2.723 -6.044 1.00 0.00 C ATOM 700 C VAL A 105 -7.973 -3.449 -4.756 1.00 0.00 C ATOM 701 O VAL A 105 -6.807 -3.440 -4.381 1.00 0.00 O ATOM 702 CB VAL A 105 -9.070 -1.392 -5.759 1.00 0.00 C ATOM 703 CG1 VAL A 105 -8.906 -0.431 -6.943 1.00 0.00 C ATOM 704 CG2 VAL A 105 -10.576 -1.554 -5.523 1.00 0.00 C ATOM 0 H VAL A 105 -10.056 -3.235 -7.154 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.442 -2.464 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.606 -1.003 -4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.418 0.506 -6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.847 -0.236 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.337 -0.879 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -11.021 -0.578 -5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.038 -1.993 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.742 -2.207 -4.666 1.00 0.00 H new ATOM 714 N LEU A 106 -8.911 -4.134 -4.095 1.00 0.00 N ATOM 715 CA LEU A 106 -8.549 -4.796 -2.847 1.00 0.00 C ATOM 716 C LEU A 106 -7.588 -5.971 -3.072 1.00 0.00 C ATOM 717 O LEU A 106 -6.666 -6.144 -2.280 1.00 0.00 O ATOM 718 CB LEU A 106 -9.762 -5.086 -1.945 1.00 0.00 C ATOM 719 CG LEU A 106 -10.542 -6.370 -2.252 1.00 0.00 C ATOM 720 CD1 LEU A 106 -9.962 -7.601 -1.542 1.00 0.00 C ATOM 721 CD2 LEU A 106 -11.993 -6.204 -1.790 1.00 0.00 C ATOM 0 H LEU A 106 -9.882 -4.241 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.968 -4.087 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.417 -5.133 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.449 -4.243 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.474 -6.530 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.554 -8.480 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.931 -7.753 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.988 -7.445 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.550 -7.115 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -12.014 -6.013 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.449 -5.366 -2.317 1.00 0.00 H new ATOM 733 N ASN A 107 -7.751 -6.785 -4.127 1.00 0.00 N ATOM 734 CA ASN A 107 -6.826 -7.904 -4.326 1.00 0.00 C ATOM 735 C ASN A 107 -5.427 -7.434 -4.772 1.00 0.00 C ATOM 736 O ASN A 107 -4.417 -7.882 -4.223 1.00 0.00 O ATOM 737 CB ASN A 107 -7.453 -9.038 -5.153 1.00 0.00 C ATOM 738 CG ASN A 107 -7.594 -8.769 -6.643 1.00 0.00 C ATOM 739 OD1 ASN A 107 -6.621 -8.520 -7.334 1.00 0.00 O ATOM 740 ND2 ASN A 107 -8.795 -8.892 -7.175 1.00 0.00 N ATOM 0 H ASN A 107 -8.486 -6.694 -4.829 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.641 -8.368 -3.357 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.849 -9.936 -5.020 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.441 -9.255 -4.747 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.921 -8.779 -8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.597 -9.101 -6.581 1.00 0.00 H new ATOM 747 N TYR A 108 -5.360 -6.467 -5.686 1.00 0.00 N ATOM 748 CA TYR A 108 -4.121 -5.806 -6.083 1.00 0.00 C ATOM 749 C TYR A 108 -3.420 -5.147 -4.886 1.00 0.00 C ATOM 750 O TYR A 108 -2.274 -5.453 -4.566 1.00 0.00 O ATOM 751 CB TYR A 108 -4.431 -4.789 -7.179 1.00 0.00 C ATOM 752 CG TYR A 108 -3.190 -4.182 -7.801 1.00 0.00 C ATOM 753 CD1 TYR A 108 -2.594 -3.040 -7.236 1.00 0.00 C ATOM 754 CD2 TYR A 108 -2.598 -4.803 -8.913 1.00 0.00 C ATOM 755 CE1 TYR A 108 -1.418 -2.510 -7.793 1.00 0.00 C ATOM 756 CE2 TYR A 108 -1.402 -4.293 -9.443 1.00 0.00 C ATOM 757 CZ TYR A 108 -0.804 -3.162 -8.873 1.00 0.00 C ATOM 758 OH TYR A 108 0.430 -2.806 -9.306 1.00 0.00 O ATOM 0 H TYR A 108 -6.181 -6.116 -6.179 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.428 -6.553 -6.471 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.020 -5.273 -7.958 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -5.047 -3.992 -6.762 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.041 -2.570 -6.373 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.061 -5.670 -9.359 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.988 -1.604 -7.391 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.942 -4.774 -10.293 1.00 0.00 H new ATOM 0 HH TYR A 108 0.958 -2.473 -8.551 1.00 0.00 H new ATOM 768 N ILE A 109 -4.118 -4.270 -4.164 1.00 0.00 N ATOM 769 CA ILE A 109 -3.568 -3.655 -2.958 1.00 0.00 C ATOM 770 C ILE A 109 -3.075 -4.715 -1.970 1.00 0.00 C ATOM 771 O ILE A 109 -1.964 -4.617 -1.469 1.00 0.00 O ATOM 772 CB ILE A 109 -4.601 -2.740 -2.281 1.00 0.00 C ATOM 773 CG1 ILE A 109 -4.886 -1.492 -3.124 1.00 0.00 C ATOM 774 CG2 ILE A 109 -4.112 -2.301 -0.897 1.00 0.00 C ATOM 775 CD1 ILE A 109 -6.121 -0.773 -2.573 1.00 0.00 C ATOM 0 H ILE A 109 -5.065 -3.970 -4.394 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.716 -3.047 -3.264 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.520 -3.317 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.025 -0.824 -3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -5.050 -1.773 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -4.858 -1.654 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.956 -3.179 -0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.173 -1.757 -0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.323 0.114 -3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.980 -1.442 -2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.940 -0.479 -1.539 1.00 0.00 H new ATOM 787 N GLU A 110 -3.873 -5.735 -1.662 1.00 0.00 N ATOM 788 CA GLU A 110 -3.472 -6.792 -0.739 1.00 0.00 C ATOM 789 C GLU A 110 -2.215 -7.566 -1.208 1.00 0.00 C ATOM 790 O GLU A 110 -1.325 -7.865 -0.400 1.00 0.00 O ATOM 791 CB GLU A 110 -4.691 -7.678 -0.467 1.00 0.00 C ATOM 792 CG GLU A 110 -5.707 -6.936 0.428 1.00 0.00 C ATOM 793 CD GLU A 110 -5.455 -7.165 1.900 1.00 0.00 C ATOM 794 OE1 GLU A 110 -5.606 -8.332 2.317 1.00 0.00 O ATOM 795 OE2 GLU A 110 -5.203 -6.192 2.633 1.00 0.00 O ATOM 0 H GLU A 110 -4.812 -5.851 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.149 -6.351 0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.163 -7.958 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.376 -8.602 0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.661 -5.868 0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.715 -7.267 0.179 1.00 0.00 H new ATOM 802 N THR A 111 -2.099 -7.878 -2.501 1.00 0.00 N ATOM 803 CA THR A 111 -0.886 -8.472 -3.066 1.00 0.00 C ATOM 804 C THR A 111 0.325 -7.526 -2.989 1.00 0.00 C ATOM 805 O THR A 111 1.349 -7.911 -2.425 1.00 0.00 O ATOM 806 CB THR A 111 -1.124 -9.010 -4.481 1.00 0.00 C ATOM 807 OG1 THR A 111 -1.782 -8.074 -5.289 1.00 0.00 O ATOM 808 CG2 THR A 111 -1.974 -10.281 -4.465 1.00 0.00 C ATOM 0 H THR A 111 -2.841 -7.726 -3.184 1.00 0.00 H new ATOM 0 HA THR A 111 -0.634 -9.329 -2.442 1.00 0.00 H new ATOM 0 HB THR A 111 -0.135 -9.224 -4.887 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.768 -7.197 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 111 -2.122 -10.633 -5.486 1.00 0.00 H new ATOM 0 HG22 THR A 111 -1.465 -11.052 -3.886 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.942 -10.066 -4.012 1.00 0.00 H new ATOM 816 N GLN A 112 0.220 -6.267 -3.420 1.00 0.00 N ATOM 817 CA GLN A 112 1.316 -5.302 -3.283 1.00 0.00 C ATOM 818 C GLN A 112 1.668 -5.023 -1.803 1.00 0.00 C ATOM 819 O GLN A 112 2.824 -4.895 -1.419 1.00 0.00 O ATOM 820 CB GLN A 112 0.956 -4.027 -4.057 1.00 0.00 C ATOM 821 CG GLN A 112 0.793 -4.248 -5.568 1.00 0.00 C ATOM 822 CD GLN A 112 2.114 -4.582 -6.242 1.00 0.00 C ATOM 823 OE1 GLN A 112 2.580 -5.714 -6.200 1.00 0.00 O ATOM 824 NE2 GLN A 112 2.762 -3.601 -6.832 1.00 0.00 N ATOM 0 H GLN A 112 -0.615 -5.890 -3.868 1.00 0.00 H new ATOM 0 HA GLN A 112 2.222 -5.727 -3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.028 -3.619 -3.656 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.732 -3.280 -3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.083 -5.057 -5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.371 -3.351 -6.022 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.358 -2.665 -6.857 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.669 -3.776 -7.265 1.00 0.00 H new ATOM 833 N ARG A 113 0.673 -5.030 -0.921 1.00 0.00 N ATOM 834 CA ARG A 113 0.815 -5.009 0.536 1.00 0.00 C ATOM 835 C ARG A 113 1.490 -6.295 1.067 1.00 0.00 C ATOM 836 O ARG A 113 2.003 -6.360 2.189 1.00 0.00 O ATOM 837 CB ARG A 113 -0.589 -4.774 1.110 1.00 0.00 C ATOM 838 CG ARG A 113 -0.678 -4.625 2.626 1.00 0.00 C ATOM 839 CD ARG A 113 -2.144 -4.359 3.001 1.00 0.00 C ATOM 840 NE ARG A 113 -2.323 -4.240 4.466 1.00 0.00 N ATOM 841 CZ ARG A 113 -3.076 -5.010 5.263 1.00 0.00 C ATOM 842 NH1 ARG A 113 -3.800 -6.022 4.840 1.00 0.00 N ATOM 843 NH2 ARG A 113 -3.116 -4.781 6.554 1.00 0.00 N ATOM 0 H ARG A 113 -0.304 -5.052 -1.215 1.00 0.00 H new ATOM 0 HA ARG A 113 1.480 -4.208 0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.001 -3.875 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.226 -5.605 0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.319 -5.529 3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.045 -3.805 2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.482 -3.443 2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.769 -5.168 2.623 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.813 -3.483 4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -3.811 -6.262 3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.351 -6.567 5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.573 -4.015 6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.690 -5.369 7.159 1.00 0.00 H new ATOM 857 N THR A 114 1.464 -7.378 0.297 1.00 0.00 N ATOM 858 CA THR A 114 2.255 -8.593 0.531 1.00 0.00 C ATOM 859 C THR A 114 3.690 -8.526 -0.011 1.00 0.00 C ATOM 860 O THR A 114 4.603 -8.916 0.720 1.00 0.00 O ATOM 861 CB THR A 114 1.439 -9.831 0.156 1.00 0.00 C ATOM 862 OG1 THR A 114 0.263 -9.771 0.952 1.00 0.00 O ATOM 863 CG2 THR A 114 2.169 -11.142 0.449 1.00 0.00 C ATOM 0 H THR A 114 0.876 -7.442 -0.534 1.00 0.00 H new ATOM 0 HA THR A 114 2.449 -8.680 1.600 1.00 0.00 H new ATOM 0 HB THR A 114 1.242 -9.825 -0.916 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.363 -9.125 0.563 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.537 -11.982 0.161 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.099 -11.175 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.392 -11.204 1.514 1.00 0.00 H new ATOM 871 N TYR A 115 3.929 -7.918 -1.176 1.00 0.00 N ATOM 872 CA TYR A 115 5.267 -7.399 -1.504 1.00 0.00 C ATOM 873 C TYR A 115 5.824 -6.581 -0.329 1.00 0.00 C ATOM 874 O TYR A 115 6.852 -6.931 0.243 1.00 0.00 O ATOM 875 CB TYR A 115 5.247 -6.581 -2.813 1.00 0.00 C ATOM 876 CG TYR A 115 6.257 -5.439 -2.890 1.00 0.00 C ATOM 877 CD1 TYR A 115 7.639 -5.707 -2.837 1.00 0.00 C ATOM 878 CD2 TYR A 115 5.816 -4.099 -2.901 1.00 0.00 C ATOM 879 CE1 TYR A 115 8.564 -4.648 -2.754 1.00 0.00 C ATOM 880 CE2 TYR A 115 6.744 -3.045 -2.821 1.00 0.00 C ATOM 881 CZ TYR A 115 8.115 -3.319 -2.744 1.00 0.00 C ATOM 882 OH TYR A 115 9.015 -2.302 -2.640 1.00 0.00 O ATOM 0 H TYR A 115 3.227 -7.772 -1.901 1.00 0.00 H new ATOM 0 HA TYR A 115 5.934 -8.245 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.427 -7.259 -3.647 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.247 -6.168 -2.948 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.990 -6.728 -2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.760 -3.881 -2.971 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.622 -4.860 -2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 115 6.398 -2.022 -2.819 1.00 0.00 H new ATOM 0 HH TYR A 115 8.542 -1.444 -2.649 1.00 0.00 H new ATOM 892 N TRP A 116 5.112 -5.537 0.093 1.00 0.00 N ATOM 893 CA TRP A 116 5.544 -4.684 1.192 1.00 0.00 C ATOM 894 C TRP A 116 5.831 -5.440 2.498 1.00 0.00 C ATOM 895 O TRP A 116 6.817 -5.149 3.171 1.00 0.00 O ATOM 896 CB TRP A 116 4.589 -3.499 1.365 1.00 0.00 C ATOM 897 CG TRP A 116 4.974 -2.293 0.571 1.00 0.00 C ATOM 898 CD1 TRP A 116 4.229 -1.652 -0.357 1.00 0.00 C ATOM 899 CD2 TRP A 116 6.250 -1.589 0.609 1.00 0.00 C ATOM 900 NE1 TRP A 116 4.940 -0.584 -0.866 1.00 0.00 N ATOM 901 CE2 TRP A 116 6.201 -0.508 -0.317 1.00 0.00 C ATOM 902 CE3 TRP A 116 7.448 -1.768 1.329 1.00 0.00 C ATOM 903 CZ2 TRP A 116 7.289 0.352 -0.515 1.00 0.00 C ATOM 904 CZ3 TRP A 116 8.554 -0.934 1.108 1.00 0.00 C ATOM 905 CH2 TRP A 116 8.483 0.123 0.187 1.00 0.00 C ATOM 0 H TRP A 116 4.221 -5.261 -0.319 1.00 0.00 H new ATOM 0 HA TRP A 116 6.518 -4.280 0.915 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.585 -3.808 1.075 1.00 0.00 H new ATOM 0 HB3 TRP A 116 4.547 -3.229 2.420 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.230 -1.933 -0.655 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.577 0.068 -1.562 1.00 0.00 H new ATOM 0 HE3 TRP A 116 7.516 -2.559 2.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 7.210 1.183 -1.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 9.470 -1.107 1.653 1.00 0.00 H new ATOM 0 HH2 TRP A 116 9.342 0.756 0.019 1.00 0.00 H new ATOM 916 N LYS A 117 5.039 -6.460 2.858 1.00 0.00 N ATOM 917 CA LYS A 117 5.463 -7.356 3.941 1.00 0.00 C ATOM 918 C LYS A 117 6.849 -7.983 3.686 1.00 0.00 C ATOM 919 O LYS A 117 7.750 -7.814 4.505 1.00 0.00 O ATOM 920 CB LYS A 117 4.438 -8.476 4.195 1.00 0.00 C ATOM 921 CG LYS A 117 3.238 -8.002 5.014 1.00 0.00 C ATOM 922 CD LYS A 117 2.253 -9.134 5.347 1.00 0.00 C ATOM 923 CE LYS A 117 1.470 -9.669 4.137 1.00 0.00 C ATOM 924 NZ LYS A 117 0.706 -8.615 3.430 1.00 0.00 N ATOM 0 H LYS A 117 4.137 -6.680 2.435 1.00 0.00 H new ATOM 0 HA LYS A 117 5.530 -6.726 4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.089 -8.867 3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.927 -9.299 4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.593 -7.552 5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.713 -7.222 4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.804 -9.957 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.544 -8.775 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.165 -10.136 3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.783 -10.446 4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.186 -9.038 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.033 -8.173 4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.362 -7.893 3.070 1.00 0.00 H new ATOM 938 N LEU A 118 7.033 -8.710 2.581 1.00 0.00 N ATOM 939 CA LEU A 118 8.299 -9.394 2.274 1.00 0.00 C ATOM 940 C LEU A 118 9.488 -8.415 2.239 1.00 0.00 C ATOM 941 O LEU A 118 10.540 -8.637 2.837 1.00 0.00 O ATOM 942 CB LEU A 118 8.154 -10.150 0.947 1.00 0.00 C ATOM 943 CG LEU A 118 7.118 -11.287 1.015 1.00 0.00 C ATOM 944 CD1 LEU A 118 6.784 -11.744 -0.409 1.00 0.00 C ATOM 945 CD2 LEU A 118 7.638 -12.487 1.813 1.00 0.00 C ATOM 0 H LEU A 118 6.311 -8.843 1.872 1.00 0.00 H new ATOM 0 HA LEU A 118 8.514 -10.107 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.865 -9.448 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 118 9.122 -10.564 0.663 1.00 0.00 H new ATOM 0 HG LEU A 118 6.231 -10.904 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 118 6.051 -12.549 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.374 -10.906 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.690 -12.102 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.876 -13.266 1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.540 -12.875 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.868 -12.174 2.831 1.00 0.00 H new ATOM 957 N GLU A 119 9.298 -7.273 1.592 1.00 0.00 N ATOM 958 CA GLU A 119 10.230 -6.158 1.594 1.00 0.00 C ATOM 959 C GLU A 119 10.567 -5.691 3.028 1.00 0.00 C ATOM 960 O GLU A 119 11.729 -5.639 3.432 1.00 0.00 O ATOM 961 CB GLU A 119 9.596 -5.082 0.704 1.00 0.00 C ATOM 962 CG GLU A 119 10.462 -3.835 0.500 1.00 0.00 C ATOM 963 CD GLU A 119 11.901 -4.165 0.177 1.00 0.00 C ATOM 964 OE1 GLU A 119 12.135 -4.767 -0.889 1.00 0.00 O ATOM 965 OE2 GLU A 119 12.750 -3.876 1.044 1.00 0.00 O ATOM 0 H GLU A 119 8.463 -7.093 1.034 1.00 0.00 H new ATOM 0 HA GLU A 119 11.204 -6.434 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.374 -5.518 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.645 -4.780 1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.042 -3.235 -0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.428 -3.224 1.402 1.00 0.00 H new ATOM 972 N ASN A 120 9.555 -5.424 3.858 1.00 0.00 N ATOM 973 CA ASN A 120 9.733 -5.054 5.266 1.00 0.00 C ATOM 974 C ASN A 120 10.179 -6.210 6.180 1.00 0.00 C ATOM 975 O ASN A 120 10.563 -5.970 7.329 1.00 0.00 O ATOM 976 CB ASN A 120 8.490 -4.326 5.786 1.00 0.00 C ATOM 977 CG ASN A 120 8.311 -2.963 5.125 1.00 0.00 C ATOM 978 OD1 ASN A 120 9.260 -2.202 4.962 1.00 0.00 O ATOM 979 ND2 ASN A 120 7.095 -2.617 4.744 1.00 0.00 N ATOM 0 H ASN A 120 8.578 -5.459 3.568 1.00 0.00 H new ATOM 0 HA ASN A 120 10.575 -4.363 5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.607 -4.938 5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.569 -4.198 6.866 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.936 -1.708 4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.315 -3.258 4.885 1.00 0.00 H new ATOM 986 N GLN A 121 10.159 -7.453 5.696 1.00 0.00 N ATOM 987 CA GLN A 121 10.834 -8.595 6.317 1.00 0.00 C ATOM 988 C GLN A 121 12.365 -8.450 6.246 1.00 0.00 C ATOM 989 O GLN A 121 13.052 -8.774 7.210 1.00 0.00 O ATOM 990 CB GLN A 121 10.363 -9.918 5.681 1.00 0.00 C ATOM 991 CG GLN A 121 9.523 -10.798 6.617 1.00 0.00 C ATOM 992 CD GLN A 121 8.054 -10.400 6.610 1.00 0.00 C ATOM 993 OE1 GLN A 121 7.600 -9.613 7.430 1.00 0.00 O ATOM 994 NE2 GLN A 121 7.276 -10.942 5.688 1.00 0.00 N ATOM 0 H GLN A 121 9.661 -7.700 4.841 1.00 0.00 H new ATOM 0 HA GLN A 121 10.561 -8.614 7.372 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.778 -9.692 4.790 1.00 0.00 H new ATOM 0 HB3 GLN A 121 11.236 -10.483 5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.617 -11.841 6.315 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.914 -10.723 7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 121 7.668 -11.596 5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 121 6.284 -10.706 5.654 1.00 0.00 H new ATOM 1003 N LYS A 122 12.901 -7.945 5.130 1.00 0.00 N ATOM 1004 CA LYS A 122 14.339 -7.740 4.969 1.00 0.00 C ATOM 1005 C LYS A 122 14.940 -6.881 6.105 1.00 0.00 C ATOM 1006 O LYS A 122 14.414 -5.814 6.441 1.00 0.00 O ATOM 1007 CB LYS A 122 14.620 -7.085 3.615 1.00 0.00 C ATOM 1008 CG LYS A 122 14.147 -7.841 2.365 1.00 0.00 C ATOM 1009 CD LYS A 122 14.515 -6.947 1.170 1.00 0.00 C ATOM 1010 CE LYS A 122 14.071 -7.483 -0.197 1.00 0.00 C ATOM 1011 NZ LYS A 122 14.202 -6.428 -1.226 1.00 0.00 N ATOM 0 H LYS A 122 12.350 -7.669 4.317 1.00 0.00 H new ATOM 0 HA LYS A 122 14.817 -8.719 5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 122 14.154 -6.100 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 122 15.695 -6.929 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 122 14.633 -8.814 2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 122 13.073 -8.023 2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 122 14.071 -5.963 1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 122 15.596 -6.810 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 122 14.677 -8.346 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 122 13.037 -7.823 -0.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 13.262 -6.190 -1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 14.630 -5.581 -0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 14.806 -6.771 -2.000 1.00 0.00 H new ATOM 1025 N LYS A 123 16.049 -7.354 6.681 1.00 0.00 N ATOM 1026 CA LYS A 123 16.730 -6.802 7.854 1.00 0.00 C ATOM 1027 C LYS A 123 18.037 -6.096 7.463 1.00 0.00 C ATOM 1028 O LYS A 123 18.848 -6.685 6.753 1.00 0.00 O ATOM 1029 CB LYS A 123 17.015 -7.990 8.787 1.00 0.00 C ATOM 1030 CG LYS A 123 17.475 -7.602 10.198 1.00 0.00 C ATOM 1031 CD LYS A 123 19.003 -7.467 10.307 1.00 0.00 C ATOM 1032 CE LYS A 123 19.391 -6.936 11.695 1.00 0.00 C ATOM 1033 NZ LYS A 123 19.099 -5.490 11.808 1.00 0.00 N ATOM 0 H LYS A 123 16.523 -8.182 6.319 1.00 0.00 H new ATOM 0 HA LYS A 123 16.109 -6.051 8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 123 16.112 -8.596 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.780 -8.618 8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 123 17.010 -6.658 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 123 17.129 -8.353 10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 123 19.474 -8.435 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 123 19.372 -6.792 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 123 18.844 -7.483 12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 123 20.452 -7.112 11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 19.092 -5.215 12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 19.830 -4.948 11.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 18.169 -5.290 11.387 1.00 0.00 H new ATOM 1047 N LEU A 124 18.303 -4.884 7.962 1.00 0.00 N ATOM 1048 CA LEU A 124 19.595 -4.236 7.720 1.00 0.00 C ATOM 1049 C LEU A 124 20.629 -4.718 8.748 1.00 0.00 C ATOM 1050 O LEU A 124 20.629 -4.298 9.907 1.00 0.00 O ATOM 1051 CB LEU A 124 19.441 -2.709 7.679 1.00 0.00 C ATOM 1052 CG LEU A 124 20.778 -1.967 7.500 1.00 0.00 C ATOM 1053 CD1 LEU A 124 21.654 -2.514 6.386 1.00 0.00 C ATOM 1054 CD2 LEU A 124 20.571 -0.499 7.168 1.00 0.00 C ATOM 0 H LEU A 124 17.652 -4.339 8.527 1.00 0.00 H new ATOM 0 HA LEU A 124 19.970 -4.526 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 124 18.772 -2.440 6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 124 18.968 -2.374 8.602 1.00 0.00 H new ATOM 0 HG LEU A 124 21.271 -2.110 8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 124 22.575 -1.934 6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 124 21.894 -3.557 6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 124 21.122 -2.444 5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 124 21.539 -0.013 7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 124 20.006 -0.412 6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 124 20.019 -0.018 7.975 1.00 0.00 H new ATOM 1066 N TYR A 125 21.478 -5.680 8.378 1.00 0.00 N ATOM 1067 CA TYR A 125 22.546 -6.197 9.252 1.00 0.00 C ATOM 1068 C TYR A 125 23.603 -5.126 9.605 1.00 0.00 C ATOM 1069 O TYR A 125 24.395 -5.314 10.524 1.00 0.00 O ATOM 1070 CB TYR A 125 23.155 -7.472 8.653 1.00 0.00 C ATOM 1071 CG TYR A 125 23.610 -7.292 7.226 1.00 0.00 C ATOM 1072 CD1 TYR A 125 24.675 -6.414 6.960 1.00 0.00 C ATOM 1073 CD2 TYR A 125 22.784 -7.733 6.173 1.00 0.00 C ATOM 1074 CE1 TYR A 125 24.759 -5.794 5.707 1.00 0.00 C ATOM 1075 CE2 TYR A 125 22.948 -7.194 4.889 1.00 0.00 C ATOM 1076 CZ TYR A 125 23.870 -6.159 4.691 1.00 0.00 C ATOM 1077 OH TYR A 125 23.972 -5.528 3.493 1.00 0.00 O ATOM 0 H TYR A 125 21.448 -6.127 7.462 1.00 0.00 H new ATOM 0 HA TYR A 125 22.096 -6.466 10.207 1.00 0.00 H new ATOM 0 HB2 TYR A 125 24.003 -7.784 9.263 1.00 0.00 H new ATOM 0 HB3 TYR A 125 22.419 -8.275 8.696 1.00 0.00 H new ATOM 0 HD1 TYR A 125 25.422 -6.219 7.715 1.00 0.00 H new ATOM 0 HD2 TYR A 125 22.028 -8.483 6.354 1.00 0.00 H new ATOM 0 HE1 TYR A 125 25.508 -5.037 5.526 1.00 0.00 H new ATOM 0 HE2 TYR A 125 22.369 -7.574 4.060 1.00 0.00 H new ATOM 0 HH TYR A 125 23.512 -6.054 2.806 1.00 0.00 H new ATOM 1087 N ARG A 126 23.547 -3.977 8.929 1.00 0.00 N ATOM 1088 CA ARG A 126 24.041 -2.662 9.340 1.00 0.00 C ATOM 1089 C ARG A 126 25.567 -2.480 9.360 1.00 0.00 C ATOM 1090 O ARG A 126 26.077 -1.562 8.726 1.00 0.00 O ATOM 1091 CB ARG A 126 23.322 -2.140 10.605 1.00 0.00 C ATOM 1092 CG ARG A 126 23.478 -2.977 11.884 1.00 0.00 C ATOM 1093 CD ARG A 126 22.980 -2.230 13.116 1.00 0.00 C ATOM 1094 NE ARG A 126 21.505 -2.098 13.136 1.00 0.00 N ATOM 1095 CZ ARG A 126 20.833 -1.408 14.063 1.00 0.00 C ATOM 1096 NH1 ARG A 126 21.484 -0.658 14.935 1.00 0.00 N ATOM 1097 NH2 ARG A 126 19.514 -1.426 14.104 1.00 0.00 N ATOM 0 H ARG A 126 23.120 -3.940 8.004 1.00 0.00 H new ATOM 0 HA ARG A 126 23.757 -2.003 8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 126 23.685 -1.133 10.811 1.00 0.00 H new ATOM 0 HB3 ARG A 126 22.259 -2.056 10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 126 22.925 -3.910 11.777 1.00 0.00 H new ATOM 0 HG3 ARG A 126 24.527 -3.242 12.019 1.00 0.00 H new ATOM 0 HD2 ARG A 126 23.308 -2.755 14.013 1.00 0.00 H new ATOM 0 HD3 ARG A 126 23.432 -1.238 13.144 1.00 0.00 H new ATOM 0 HE ARG A 126 20.971 -2.560 12.400 1.00 0.00 H new ATOM 0 HH11 ARG A 126 22.502 -0.604 14.902 1.00 0.00 H new ATOM 0 HH12 ARG A 126 20.968 -0.133 15.641 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.990 -1.973 13.421 1.00 0.00 H new ATOM 0 HH22 ARG A 126 19.019 -0.893 14.819 1.00 0.00 H new ATOM 1284 N LEU B 68 17.339 13.907 2.336 1.00 0.00 N ATOM 1285 CA LEU B 68 18.422 12.957 2.078 1.00 0.00 C ATOM 1286 C LEU B 68 19.800 13.639 2.192 1.00 0.00 C ATOM 1287 O LEU B 68 20.508 13.872 1.214 1.00 0.00 O ATOM 1288 CB LEU B 68 18.174 12.112 0.821 1.00 0.00 C ATOM 1289 CG LEU B 68 17.235 10.914 1.082 1.00 0.00 C ATOM 1290 CD1 LEU B 68 15.842 11.338 1.559 1.00 0.00 C ATOM 1291 CD2 LEU B 68 17.090 10.120 -0.222 1.00 0.00 C ATOM 0 HA LEU B 68 18.433 12.206 2.868 1.00 0.00 H new ATOM 0 HB2 LEU B 68 17.743 12.743 0.044 1.00 0.00 H new ATOM 0 HB3 LEU B 68 19.128 11.745 0.441 1.00 0.00 H new ATOM 0 HG LEU B 68 17.679 10.314 1.876 1.00 0.00 H new ATOM 0 HD11 LEU B 68 15.229 10.452 1.725 1.00 0.00 H new ATOM 0 HD12 LEU B 68 15.931 11.898 2.490 1.00 0.00 H new ATOM 0 HD13 LEU B 68 15.374 11.966 0.801 1.00 0.00 H new ATOM 0 HD21 LEU B 68 16.430 9.269 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU B 68 16.668 10.763 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU B 68 18.069 9.763 -0.542 1.00 0.00 H new ATOM 1303 N SER B 69 20.166 13.957 3.435 1.00 0.00 N ATOM 1304 CA SER B 69 21.493 14.421 3.855 1.00 0.00 C ATOM 1305 C SER B 69 22.427 13.255 4.246 1.00 0.00 C ATOM 1306 O SER B 69 22.064 12.092 4.138 1.00 0.00 O ATOM 1307 CB SER B 69 21.315 15.405 5.018 1.00 0.00 C ATOM 1308 OG SER B 69 22.545 16.046 5.316 1.00 0.00 O ATOM 0 H SER B 69 19.513 13.895 4.216 1.00 0.00 H new ATOM 0 HA SER B 69 21.975 14.919 3.014 1.00 0.00 H new ATOM 0 HB2 SER B 69 20.562 16.150 4.760 1.00 0.00 H new ATOM 0 HB3 SER B 69 20.951 14.875 5.898 1.00 0.00 H new ATOM 0 HG SER B 69 22.416 16.672 6.059 1.00 0.00 H new ATOM 1314 N ALA B 70 23.634 13.568 4.723 1.00 0.00 N ATOM 1315 CA ALA B 70 24.731 12.616 4.930 1.00 0.00 C ATOM 1316 C ALA B 70 24.345 11.295 5.630 1.00 0.00 C ATOM 1317 O ALA B 70 24.346 10.236 5.007 1.00 0.00 O ATOM 1318 CB ALA B 70 25.874 13.331 5.660 1.00 0.00 C ATOM 0 H ALA B 70 23.884 14.522 4.985 1.00 0.00 H new ATOM 0 HA ALA B 70 25.048 12.290 3.939 1.00 0.00 H new ATOM 0 HB1 ALA B 70 26.696 12.633 5.820 1.00 0.00 H new ATOM 0 HB2 ALA B 70 26.222 14.170 5.057 1.00 0.00 H new ATOM 0 HB3 ALA B 70 25.518 13.699 6.622 1.00 0.00 H new ATOM 1324 N CYS B 71 24.042 11.329 6.931 1.00 0.00 N ATOM 1325 CA CYS B 71 23.762 10.117 7.706 1.00 0.00 C ATOM 1326 C CYS B 71 22.571 9.305 7.162 1.00 0.00 C ATOM 1327 O CYS B 71 22.661 8.092 6.993 1.00 0.00 O ATOM 1328 CB CYS B 71 23.608 10.470 9.194 1.00 0.00 C ATOM 1329 SG CYS B 71 22.222 11.586 9.513 1.00 0.00 S ATOM 0 H CYS B 71 23.984 12.191 7.473 1.00 0.00 H new ATOM 0 HA CYS B 71 24.619 9.452 7.598 1.00 0.00 H new ATOM 0 HB2 CYS B 71 23.469 9.553 9.767 1.00 0.00 H new ATOM 0 HB3 CYS B 71 24.529 10.932 9.550 1.00 0.00 H new ATOM 0 HG CYS B 71 22.152 11.838 10.786 1.00 0.00 H new ATOM 1335 N GLU B 72 21.467 9.973 6.835 1.00 0.00 N ATOM 1336 CA GLU B 72 20.259 9.346 6.316 1.00 0.00 C ATOM 1337 C GLU B 72 20.496 8.720 4.919 1.00 0.00 C ATOM 1338 O GLU B 72 20.030 7.616 4.646 1.00 0.00 O ATOM 1339 CB GLU B 72 19.104 10.364 6.440 1.00 0.00 C ATOM 1340 CG GLU B 72 19.374 11.674 5.672 1.00 0.00 C ATOM 1341 CD GLU B 72 18.404 12.801 5.958 1.00 0.00 C ATOM 1342 OE1 GLU B 72 18.316 13.239 7.118 1.00 0.00 O ATOM 1343 OE2 GLU B 72 17.913 13.408 4.985 1.00 0.00 O ATOM 0 H GLU B 72 21.388 10.986 6.926 1.00 0.00 H new ATOM 0 HA GLU B 72 19.962 8.478 6.905 1.00 0.00 H new ATOM 0 HB2 GLU B 72 18.186 9.912 6.065 1.00 0.00 H new ATOM 0 HB3 GLU B 72 18.940 10.593 7.493 1.00 0.00 H new ATOM 0 HG2 GLU B 72 20.382 12.014 5.910 1.00 0.00 H new ATOM 0 HG3 GLU B 72 19.353 11.461 4.603 1.00 0.00 H new ATOM 1350 N VAL B 73 21.302 9.358 4.062 1.00 0.00 N ATOM 1351 CA VAL B 73 21.762 8.775 2.796 1.00 0.00 C ATOM 1352 C VAL B 73 22.656 7.553 3.027 1.00 0.00 C ATOM 1353 O VAL B 73 22.401 6.492 2.474 1.00 0.00 O ATOM 1354 CB VAL B 73 22.479 9.835 1.941 1.00 0.00 C ATOM 1355 CG1 VAL B 73 23.230 9.223 0.753 1.00 0.00 C ATOM 1356 CG2 VAL B 73 21.444 10.797 1.365 1.00 0.00 C ATOM 0 H VAL B 73 21.656 10.300 4.229 1.00 0.00 H new ATOM 0 HA VAL B 73 20.884 8.431 2.250 1.00 0.00 H new ATOM 0 HB VAL B 73 23.194 10.335 2.594 1.00 0.00 H new ATOM 0 HG11 VAL B 73 23.717 10.015 0.184 1.00 0.00 H new ATOM 0 HG12 VAL B 73 23.982 8.524 1.119 1.00 0.00 H new ATOM 0 HG13 VAL B 73 22.526 8.695 0.110 1.00 0.00 H new ATOM 0 HG21 VAL B 73 21.946 11.551 0.758 1.00 0.00 H new ATOM 0 HG22 VAL B 73 20.738 10.244 0.746 1.00 0.00 H new ATOM 0 HG23 VAL B 73 20.908 11.285 2.179 1.00 0.00 H new ATOM 1366 N ALA B 74 23.691 7.684 3.858 1.00 0.00 N ATOM 1367 CA ALA B 74 24.599 6.572 4.159 1.00 0.00 C ATOM 1368 C ALA B 74 23.832 5.348 4.688 1.00 0.00 C ATOM 1369 O ALA B 74 24.146 4.195 4.401 1.00 0.00 O ATOM 1370 CB ALA B 74 25.652 7.047 5.165 1.00 0.00 C ATOM 0 H ALA B 74 23.924 8.554 4.338 1.00 0.00 H new ATOM 0 HA ALA B 74 25.095 6.258 3.241 1.00 0.00 H new ATOM 0 HB1 ALA B 74 26.332 6.227 5.395 1.00 0.00 H new ATOM 0 HB2 ALA B 74 26.216 7.876 4.738 1.00 0.00 H new ATOM 0 HB3 ALA B 74 25.159 7.377 6.079 1.00 0.00 H new ATOM 1376 N VAL B 75 22.782 5.616 5.460 1.00 0.00 N ATOM 1377 CA VAL B 75 21.868 4.594 5.941 1.00 0.00 C ATOM 1378 C VAL B 75 20.982 4.021 4.817 1.00 0.00 C ATOM 1379 O VAL B 75 20.772 2.810 4.757 1.00 0.00 O ATOM 1380 CB VAL B 75 21.119 5.155 7.159 1.00 0.00 C ATOM 1381 CG1 VAL B 75 19.839 4.372 7.439 1.00 0.00 C ATOM 1382 CG2 VAL B 75 22.102 5.089 8.329 1.00 0.00 C ATOM 0 H VAL B 75 22.543 6.558 5.770 1.00 0.00 H new ATOM 0 HA VAL B 75 22.415 3.714 6.278 1.00 0.00 H new ATOM 0 HB VAL B 75 20.794 6.181 6.986 1.00 0.00 H new ATOM 0 HG11 VAL B 75 19.335 4.797 8.307 1.00 0.00 H new ATOM 0 HG12 VAL B 75 19.180 4.430 6.573 1.00 0.00 H new ATOM 0 HG13 VAL B 75 20.086 3.329 7.637 1.00 0.00 H new ATOM 0 HG21 VAL B 75 21.624 5.477 9.228 1.00 0.00 H new ATOM 0 HG22 VAL B 75 22.402 4.054 8.495 1.00 0.00 H new ATOM 0 HG23 VAL B 75 22.982 5.689 8.099 1.00 0.00 H new ATOM 1392 N LEU B 76 20.486 4.856 3.903 1.00 0.00 N ATOM 1393 CA LEU B 76 19.828 4.398 2.671 1.00 0.00 C ATOM 1394 C LEU B 76 20.732 3.565 1.745 1.00 0.00 C ATOM 1395 O LEU B 76 20.262 2.668 1.047 1.00 0.00 O ATOM 1396 CB LEU B 76 19.162 5.580 1.960 1.00 0.00 C ATOM 1397 CG LEU B 76 17.779 5.857 2.574 1.00 0.00 C ATOM 1398 CD1 LEU B 76 17.384 7.310 2.334 1.00 0.00 C ATOM 1399 CD2 LEU B 76 16.705 4.955 1.951 1.00 0.00 C ATOM 0 H LEU B 76 20.527 5.871 3.993 1.00 0.00 H new ATOM 0 HA LEU B 76 19.049 3.695 2.966 1.00 0.00 H new ATOM 0 HB2 LEU B 76 19.790 6.467 2.046 1.00 0.00 H new ATOM 0 HB3 LEU B 76 19.059 5.364 0.897 1.00 0.00 H new ATOM 0 HG LEU B 76 17.845 5.651 3.642 1.00 0.00 H new ATOM 0 HD11 LEU B 76 16.404 7.498 2.772 1.00 0.00 H new ATOM 0 HD12 LEU B 76 18.120 7.968 2.796 1.00 0.00 H new ATOM 0 HD13 LEU B 76 17.346 7.504 1.262 1.00 0.00 H new ATOM 0 HD21 LEU B 76 15.738 5.174 2.405 1.00 0.00 H new ATOM 0 HD22 LEU B 76 16.652 5.140 0.878 1.00 0.00 H new ATOM 0 HD23 LEU B 76 16.961 3.910 2.127 1.00 0.00 H new ATOM 1411 N ASP B 77 22.034 3.814 1.777 1.00 0.00 N ATOM 1412 CA ASP B 77 23.012 3.038 1.021 1.00 0.00 C ATOM 1413 C ASP B 77 23.162 1.649 1.667 1.00 0.00 C ATOM 1414 O ASP B 77 22.863 0.626 1.049 1.00 0.00 O ATOM 1415 CB ASP B 77 24.318 3.842 0.938 1.00 0.00 C ATOM 1416 CG ASP B 77 25.354 3.151 0.073 1.00 0.00 C ATOM 1417 OD1 ASP B 77 25.754 2.034 0.463 1.00 0.00 O ATOM 1418 OD2 ASP B 77 25.743 3.752 -0.948 1.00 0.00 O ATOM 0 H ASP B 77 22.446 4.565 2.331 1.00 0.00 H new ATOM 0 HA ASP B 77 22.690 2.861 -0.005 1.00 0.00 H new ATOM 0 HB2 ASP B 77 24.109 4.832 0.533 1.00 0.00 H new ATOM 0 HB3 ASP B 77 24.720 3.986 1.941 1.00 0.00 H new ATOM 1423 N LEU B 78 23.477 1.611 2.967 1.00 0.00 N ATOM 1424 CA LEU B 78 23.454 0.392 3.764 1.00 0.00 C ATOM 1425 C LEU B 78 22.140 -0.393 3.579 1.00 0.00 C ATOM 1426 O LEU B 78 22.159 -1.619 3.449 1.00 0.00 O ATOM 1427 CB LEU B 78 23.714 0.753 5.235 1.00 0.00 C ATOM 1428 CG LEU B 78 25.191 0.997 5.581 1.00 0.00 C ATOM 1429 CD1 LEU B 78 25.277 1.594 6.990 1.00 0.00 C ATOM 1430 CD2 LEU B 78 26.011 -0.300 5.543 1.00 0.00 C ATOM 0 H LEU B 78 23.757 2.438 3.495 1.00 0.00 H new ATOM 0 HA LEU B 78 24.245 -0.275 3.420 1.00 0.00 H new ATOM 0 HB2 LEU B 78 23.144 1.648 5.482 1.00 0.00 H new ATOM 0 HB3 LEU B 78 23.334 -0.051 5.866 1.00 0.00 H new ATOM 0 HG LEU B 78 25.603 1.679 4.838 1.00 0.00 H new ATOM 0 HD11 LEU B 78 26.321 1.772 7.247 1.00 0.00 H new ATOM 0 HD12 LEU B 78 24.731 2.537 7.020 1.00 0.00 H new ATOM 0 HD13 LEU B 78 24.840 0.899 7.707 1.00 0.00 H new ATOM 0 HD21 LEU B 78 27.049 -0.082 5.794 1.00 0.00 H new ATOM 0 HD22 LEU B 78 25.605 -1.009 6.265 1.00 0.00 H new ATOM 0 HD23 LEU B 78 25.962 -0.732 4.543 1.00 0.00 H new ATOM 1442 N TYR B 79 20.986 0.281 3.527 1.00 0.00 N ATOM 1443 CA TYR B 79 19.736 -0.377 3.175 1.00 0.00 C ATOM 1444 C TYR B 79 19.811 -1.119 1.837 1.00 0.00 C ATOM 1445 O TYR B 79 19.504 -2.308 1.805 1.00 0.00 O ATOM 1446 CB TYR B 79 18.556 0.603 3.162 1.00 0.00 C ATOM 1447 CG TYR B 79 17.947 0.901 4.511 1.00 0.00 C ATOM 1448 CD1 TYR B 79 17.684 -0.146 5.413 1.00 0.00 C ATOM 1449 CD2 TYR B 79 17.651 2.218 4.891 1.00 0.00 C ATOM 1450 CE1 TYR B 79 17.439 0.147 6.760 1.00 0.00 C ATOM 1451 CE2 TYR B 79 17.436 2.504 6.241 1.00 0.00 C ATOM 1452 CZ TYR B 79 17.518 1.478 7.180 1.00 0.00 C ATOM 1453 OH TYR B 79 17.386 1.748 8.496 1.00 0.00 O ATOM 0 H TYR B 79 20.898 1.278 3.724 1.00 0.00 H new ATOM 0 HA TYR B 79 19.567 -1.118 3.957 1.00 0.00 H new ATOM 0 HB2 TYR B 79 18.889 1.541 2.718 1.00 0.00 H new ATOM 0 HB3 TYR B 79 17.779 0.201 2.512 1.00 0.00 H new ATOM 0 HD1 TYR B 79 17.671 -1.170 5.069 1.00 0.00 H new ATOM 0 HD2 TYR B 79 17.590 3.001 4.149 1.00 0.00 H new ATOM 0 HE1 TYR B 79 17.194 -0.639 7.460 1.00 0.00 H new ATOM 0 HE2 TYR B 79 17.208 3.512 6.554 1.00 0.00 H new ATOM 0 HH TYR B 79 17.716 0.989 9.020 1.00 0.00 H new ATOM 1463 N GLU B 80 20.194 -0.480 0.734 1.00 0.00 N ATOM 1464 CA GLU B 80 20.239 -1.184 -0.548 1.00 0.00 C ATOM 1465 C GLU B 80 21.425 -2.172 -0.665 1.00 0.00 C ATOM 1466 O GLU B 80 21.321 -3.184 -1.358 1.00 0.00 O ATOM 1467 CB GLU B 80 20.039 -0.217 -1.720 1.00 0.00 C ATOM 1468 CG GLU B 80 18.588 0.332 -1.757 1.00 0.00 C ATOM 1469 CD GLU B 80 17.474 -0.644 -2.164 1.00 0.00 C ATOM 1470 OE1 GLU B 80 17.781 -1.815 -2.485 1.00 0.00 O ATOM 1471 OE2 GLU B 80 16.301 -0.209 -2.147 1.00 0.00 O ATOM 0 H GLU B 80 20.472 0.501 0.699 1.00 0.00 H new ATOM 0 HA GLU B 80 19.382 -1.855 -0.599 1.00 0.00 H new ATOM 0 HB2 GLU B 80 20.742 0.612 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU B 80 20.261 -0.727 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU B 80 18.350 0.722 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU B 80 18.565 1.176 -2.446 1.00 0.00 H new ATOM 1478 N GLN B 81 22.480 -2.023 0.143 1.00 0.00 N ATOM 1479 CA GLN B 81 23.393 -3.140 0.435 1.00 0.00 C ATOM 1480 C GLN B 81 22.652 -4.340 1.076 1.00 0.00 C ATOM 1481 O GLN B 81 23.014 -5.500 0.879 1.00 0.00 O ATOM 1482 CB GLN B 81 24.558 -2.702 1.334 1.00 0.00 C ATOM 1483 CG GLN B 81 25.467 -1.623 0.724 1.00 0.00 C ATOM 1484 CD GLN B 81 26.620 -1.272 1.660 1.00 0.00 C ATOM 1485 OE1 GLN B 81 27.204 -2.140 2.303 1.00 0.00 O ATOM 1486 NE2 GLN B 81 26.975 -0.010 1.779 1.00 0.00 N ATOM 0 H GLN B 81 22.724 -1.147 0.605 1.00 0.00 H new ATOM 0 HA GLN B 81 23.800 -3.463 -0.523 1.00 0.00 H new ATOM 0 HB2 GLN B 81 24.153 -2.328 2.274 1.00 0.00 H new ATOM 0 HB3 GLN B 81 25.164 -3.576 1.573 1.00 0.00 H new ATOM 0 HG2 GLN B 81 25.864 -1.975 -0.228 1.00 0.00 H new ATOM 0 HG3 GLN B 81 24.881 -0.728 0.514 1.00 0.00 H new ATOM 0 HE21 GLN B 81 26.488 0.709 1.244 1.00 0.00 H new ATOM 0 HE22 GLN B 81 27.737 0.249 2.406 1.00 0.00 H new ATOM 1495 N SER B 82 21.595 -4.085 1.854 1.00 0.00 N ATOM 1496 CA SER B 82 20.641 -5.102 2.317 1.00 0.00 C ATOM 1497 C SER B 82 19.472 -5.343 1.332 1.00 0.00 C ATOM 1498 O SER B 82 18.495 -6.005 1.683 1.00 0.00 O ATOM 1499 CB SER B 82 20.126 -4.747 3.712 1.00 0.00 C ATOM 1500 OG SER B 82 21.223 -4.764 4.600 1.00 0.00 O ATOM 0 H SER B 82 21.373 -3.147 2.187 1.00 0.00 H new ATOM 0 HA SER B 82 21.185 -6.045 2.365 1.00 0.00 H new ATOM 0 HB2 SER B 82 19.656 -3.763 3.706 1.00 0.00 H new ATOM 0 HB3 SER B 82 19.367 -5.461 4.031 1.00 0.00 H new ATOM 0 HG SER B 82 21.877 -5.429 4.299 1.00 0.00 H new ATOM 1506 N ASN B 83 19.545 -4.785 0.119 1.00 0.00 N ATOM 1507 CA ASN B 83 18.432 -4.547 -0.804 1.00 0.00 C ATOM 1508 C ASN B 83 17.111 -4.170 -0.106 1.00 0.00 C ATOM 1509 O ASN B 83 16.109 -4.869 -0.247 1.00 0.00 O ATOM 1510 CB ASN B 83 18.289 -5.695 -1.810 1.00 0.00 C ATOM 1511 CG ASN B 83 17.126 -5.476 -2.776 1.00 0.00 C ATOM 1512 OD1 ASN B 83 16.295 -6.364 -2.964 1.00 0.00 O ATOM 1513 ND2 ASN B 83 16.960 -4.294 -3.341 1.00 0.00 N ATOM 0 H ASN B 83 20.435 -4.469 -0.267 1.00 0.00 H new ATOM 0 HA ASN B 83 18.688 -3.655 -1.375 1.00 0.00 H new ATOM 0 HB2 ASN B 83 19.215 -5.797 -2.376 1.00 0.00 H new ATOM 0 HB3 ASN B 83 18.140 -6.631 -1.272 1.00 0.00 H new ATOM 0 HD21 ASN B 83 16.146 -4.120 -3.930 1.00 0.00 H new ATOM 0 HD22 ASN B 83 17.646 -3.555 -3.188 1.00 0.00 H new ATOM 1520 N ILE B 84 17.105 -3.104 0.692 1.00 0.00 N ATOM 1521 CA ILE B 84 15.944 -2.645 1.453 1.00 0.00 C ATOM 1522 C ILE B 84 15.298 -1.393 0.846 1.00 0.00 C ATOM 1523 O ILE B 84 15.716 -0.266 1.102 1.00 0.00 O ATOM 1524 CB ILE B 84 16.306 -2.491 2.944 1.00 0.00 C ATOM 1525 CG1 ILE B 84 16.261 -3.891 3.567 1.00 0.00 C ATOM 1526 CG2 ILE B 84 15.350 -1.534 3.673 1.00 0.00 C ATOM 1527 CD1 ILE B 84 16.724 -3.956 5.021 1.00 0.00 C ATOM 0 H ILE B 84 17.930 -2.520 0.831 1.00 0.00 H new ATOM 0 HA ILE B 84 15.171 -3.411 1.388 1.00 0.00 H new ATOM 0 HB ILE B 84 17.300 -2.053 3.041 1.00 0.00 H new ATOM 0 HG12 ILE B 84 15.240 -4.268 3.508 1.00 0.00 H new ATOM 0 HG13 ILE B 84 16.883 -4.559 2.971 1.00 0.00 H new ATOM 0 HG21 ILE B 84 15.642 -1.455 4.720 1.00 0.00 H new ATOM 0 HG22 ILE B 84 15.397 -0.549 3.208 1.00 0.00 H new ATOM 0 HG23 ILE B 84 14.332 -1.918 3.608 1.00 0.00 H new ATOM 0 HD11 ILE B 84 16.658 -4.984 5.378 1.00 0.00 H new ATOM 0 HD12 ILE B 84 17.756 -3.613 5.090 1.00 0.00 H new ATOM 0 HD13 ILE B 84 16.088 -3.317 5.634 1.00 0.00 H new ATOM 1539 N ARG B 85 14.155 -1.586 0.191 1.00 0.00 N ATOM 1540 CA ARG B 85 13.325 -0.469 -0.230 1.00 0.00 C ATOM 1541 C ARG B 85 12.575 0.103 0.985 1.00 0.00 C ATOM 1542 O ARG B 85 11.762 -0.567 1.623 1.00 0.00 O ATOM 1543 CB ARG B 85 12.403 -0.900 -1.386 1.00 0.00 C ATOM 1544 CG ARG B 85 12.564 0.040 -2.590 1.00 0.00 C ATOM 1545 CD ARG B 85 11.881 1.397 -2.372 1.00 0.00 C ATOM 1546 NE ARG B 85 10.461 1.339 -2.774 1.00 0.00 N ATOM 1547 CZ ARG B 85 9.521 2.260 -2.551 1.00 0.00 C ATOM 1548 NH1 ARG B 85 9.667 3.219 -1.659 1.00 0.00 N ATOM 1549 NH2 ARG B 85 8.390 2.239 -3.229 1.00 0.00 N ATOM 0 H ARG B 85 13.787 -2.504 -0.057 1.00 0.00 H new ATOM 0 HA ARG B 85 13.941 0.340 -0.623 1.00 0.00 H new ATOM 0 HB2 ARG B 85 12.638 -1.922 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG B 85 11.366 -0.895 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG B 85 13.625 0.198 -2.784 1.00 0.00 H new ATOM 0 HG3 ARG B 85 12.145 -0.436 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG B 85 11.955 1.682 -1.323 1.00 0.00 H new ATOM 0 HD3 ARG B 85 12.396 2.165 -2.949 1.00 0.00 H new ATOM 0 HE ARG B 85 10.166 0.503 -3.278 1.00 0.00 H new ATOM 0 HH11 ARG B 85 10.523 3.277 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG B 85 8.924 3.903 -1.520 1.00 0.00 H new ATOM 0 HH21 ARG B 85 8.229 1.515 -3.930 1.00 0.00 H new ATOM 0 HH22 ARG B 85 7.677 2.946 -3.053 1.00 0.00 H new ATOM 1563 N ILE B 86 12.861 1.346 1.352 1.00 0.00 N ATOM 1564 CA ILE B 86 12.140 2.074 2.396 1.00 0.00 C ATOM 1565 C ILE B 86 10.847 2.693 1.812 1.00 0.00 C ATOM 1566 O ILE B 86 10.908 3.282 0.731 1.00 0.00 O ATOM 1567 CB ILE B 86 13.101 3.116 2.992 1.00 0.00 C ATOM 1568 CG1 ILE B 86 14.378 2.493 3.591 1.00 0.00 C ATOM 1569 CG2 ILE B 86 12.398 3.931 4.073 1.00 0.00 C ATOM 1570 CD1 ILE B 86 14.110 1.473 4.704 1.00 0.00 C ATOM 0 H ILE B 86 13.613 1.888 0.927 1.00 0.00 H new ATOM 0 HA ILE B 86 11.817 1.412 3.199 1.00 0.00 H new ATOM 0 HB ILE B 86 13.402 3.756 2.163 1.00 0.00 H new ATOM 0 HG12 ILE B 86 14.941 2.007 2.794 1.00 0.00 H new ATOM 0 HG13 ILE B 86 15.008 3.290 3.986 1.00 0.00 H new ATOM 0 HG21 ILE B 86 13.092 4.664 4.485 1.00 0.00 H new ATOM 0 HG22 ILE B 86 11.540 4.446 3.640 1.00 0.00 H new ATOM 0 HG23 ILE B 86 12.059 3.266 4.867 1.00 0.00 H new ATOM 0 HD11 ILE B 86 15.057 1.080 5.073 1.00 0.00 H new ATOM 0 HD12 ILE B 86 13.575 1.958 5.521 1.00 0.00 H new ATOM 0 HD13 ILE B 86 13.507 0.655 4.310 1.00 0.00 H new ATOM 1582 N PRO B 87 9.671 2.517 2.451 1.00 0.00 N ATOM 1583 CA PRO B 87 8.451 3.241 2.092 1.00 0.00 C ATOM 1584 C PRO B 87 8.632 4.766 2.112 1.00 0.00 C ATOM 1585 O PRO B 87 9.451 5.290 2.862 1.00 0.00 O ATOM 1586 CB PRO B 87 7.401 2.817 3.130 1.00 0.00 C ATOM 1587 CG PRO B 87 7.879 1.452 3.622 1.00 0.00 C ATOM 1588 CD PRO B 87 9.401 1.569 3.525 1.00 0.00 C ATOM 0 HA PRO B 87 8.158 2.998 1.071 1.00 0.00 H new ATOM 0 HB2 PRO B 87 7.339 3.535 3.948 1.00 0.00 H new ATOM 0 HB3 PRO B 87 6.407 2.753 2.686 1.00 0.00 H new ATOM 0 HG2 PRO B 87 7.553 1.254 4.643 1.00 0.00 H new ATOM 0 HG3 PRO B 87 7.496 0.642 3.002 1.00 0.00 H new ATOM 0 HD2 PRO B 87 9.825 1.917 4.467 1.00 0.00 H new ATOM 0 HD3 PRO B 87 9.853 0.600 3.311 1.00 0.00 H new ATOM 1596 N SER B 88 7.836 5.489 1.331 1.00 0.00 N ATOM 1597 CA SER B 88 7.768 6.953 1.366 1.00 0.00 C ATOM 1598 C SER B 88 7.508 7.492 2.778 1.00 0.00 C ATOM 1599 O SER B 88 8.300 8.277 3.286 1.00 0.00 O ATOM 1600 CB SER B 88 6.653 7.405 0.415 1.00 0.00 C ATOM 1601 OG SER B 88 5.430 6.764 0.760 1.00 0.00 O ATOM 0 H SER B 88 7.209 5.071 0.644 1.00 0.00 H new ATOM 0 HA SER B 88 8.732 7.353 1.052 1.00 0.00 H new ATOM 0 HB2 SER B 88 6.534 8.487 0.469 1.00 0.00 H new ATOM 0 HB3 SER B 88 6.922 7.165 -0.614 1.00 0.00 H new ATOM 0 HG SER B 88 5.500 5.804 0.575 1.00 0.00 H new ATOM 1607 N ASP B 89 6.421 7.059 3.419 1.00 0.00 N ATOM 1608 CA ASP B 89 6.040 7.448 4.776 1.00 0.00 C ATOM 1609 C ASP B 89 7.234 7.495 5.757 1.00 0.00 C ATOM 1610 O ASP B 89 7.545 8.549 6.311 1.00 0.00 O ATOM 1611 CB ASP B 89 4.935 6.493 5.228 1.00 0.00 C ATOM 1612 CG ASP B 89 4.596 6.700 6.686 1.00 0.00 C ATOM 1613 OD1 ASP B 89 5.263 6.061 7.520 1.00 0.00 O ATOM 1614 OD2 ASP B 89 3.588 7.372 6.974 1.00 0.00 O ATOM 0 H ASP B 89 5.761 6.407 2.994 1.00 0.00 H new ATOM 0 HA ASP B 89 5.670 8.473 4.773 1.00 0.00 H new ATOM 0 HB2 ASP B 89 4.044 6.649 4.619 1.00 0.00 H new ATOM 0 HB3 ASP B 89 5.253 5.463 5.069 1.00 0.00 H new ATOM 1619 N ILE B 90 7.960 6.375 5.892 1.00 0.00 N ATOM 1620 CA ILE B 90 9.214 6.330 6.654 1.00 0.00 C ATOM 1621 C ILE B 90 10.084 7.551 6.352 1.00 0.00 C ATOM 1622 O ILE B 90 10.517 8.253 7.253 1.00 0.00 O ATOM 1623 CB ILE B 90 10.051 5.075 6.324 1.00 0.00 C ATOM 1624 CG1 ILE B 90 9.430 3.734 6.731 1.00 0.00 C ATOM 1625 CG2 ILE B 90 11.461 5.195 6.936 1.00 0.00 C ATOM 1626 CD1 ILE B 90 9.288 3.586 8.240 1.00 0.00 C ATOM 0 H ILE B 90 7.695 5.481 5.478 1.00 0.00 H new ATOM 0 HA ILE B 90 8.924 6.312 7.705 1.00 0.00 H new ATOM 0 HB ILE B 90 10.092 5.055 5.235 1.00 0.00 H new ATOM 0 HG12 ILE B 90 8.449 3.637 6.267 1.00 0.00 H new ATOM 0 HG13 ILE B 90 10.046 2.921 6.347 1.00 0.00 H new ATOM 0 HG21 ILE B 90 12.039 4.303 6.695 1.00 0.00 H new ATOM 0 HG22 ILE B 90 11.961 6.073 6.528 1.00 0.00 H new ATOM 0 HG23 ILE B 90 11.381 5.294 8.019 1.00 0.00 H new ATOM 0 HD11 ILE B 90 8.843 2.618 8.470 1.00 0.00 H new ATOM 0 HD12 ILE B 90 10.271 3.654 8.706 1.00 0.00 H new ATOM 0 HD13 ILE B 90 8.648 4.380 8.625 1.00 0.00 H new ATOM 1638 N ILE B 91 10.406 7.776 5.081 1.00 0.00 N ATOM 1639 CA ILE B 91 11.301 8.856 4.682 1.00 0.00 C ATOM 1640 C ILE B 91 10.709 10.221 5.057 1.00 0.00 C ATOM 1641 O ILE B 91 11.398 11.066 5.631 1.00 0.00 O ATOM 1642 CB ILE B 91 11.553 8.738 3.159 1.00 0.00 C ATOM 1643 CG1 ILE B 91 12.289 7.426 2.845 1.00 0.00 C ATOM 1644 CG2 ILE B 91 12.307 9.942 2.591 1.00 0.00 C ATOM 1645 CD1 ILE B 91 12.386 7.105 1.350 1.00 0.00 C ATOM 0 H ILE B 91 10.055 7.217 4.303 1.00 0.00 H new ATOM 0 HA ILE B 91 12.251 8.773 5.211 1.00 0.00 H new ATOM 0 HB ILE B 91 10.580 8.727 2.668 1.00 0.00 H new ATOM 0 HG12 ILE B 91 13.295 7.478 3.260 1.00 0.00 H new ATOM 0 HG13 ILE B 91 11.778 6.606 3.349 1.00 0.00 H new ATOM 0 HG21 ILE B 91 12.456 9.806 1.520 1.00 0.00 H new ATOM 0 HG22 ILE B 91 11.728 10.849 2.764 1.00 0.00 H new ATOM 0 HG23 ILE B 91 13.275 10.030 3.084 1.00 0.00 H new ATOM 0 HD11 ILE B 91 12.919 6.164 1.214 1.00 0.00 H new ATOM 0 HD12 ILE B 91 11.384 7.018 0.931 1.00 0.00 H new ATOM 0 HD13 ILE B 91 12.924 7.904 0.840 1.00 0.00 H new ATOM 1657 N GLU B 92 9.432 10.427 4.735 1.00 0.00 N ATOM 1658 CA GLU B 92 8.696 11.654 4.997 1.00 0.00 C ATOM 1659 C GLU B 92 8.787 12.050 6.481 1.00 0.00 C ATOM 1660 O GLU B 92 9.271 13.140 6.805 1.00 0.00 O ATOM 1661 CB GLU B 92 7.250 11.454 4.509 1.00 0.00 C ATOM 1662 CG GLU B 92 6.473 12.774 4.362 1.00 0.00 C ATOM 1663 CD GLU B 92 6.968 13.628 3.207 1.00 0.00 C ATOM 1664 OE1 GLU B 92 7.895 14.422 3.474 1.00 0.00 O ATOM 1665 OE2 GLU B 92 6.417 13.490 2.100 1.00 0.00 O ATOM 0 H GLU B 92 8.867 9.717 4.269 1.00 0.00 H new ATOM 0 HA GLU B 92 9.133 12.490 4.451 1.00 0.00 H new ATOM 0 HB2 GLU B 92 7.265 10.940 3.548 1.00 0.00 H new ATOM 0 HB3 GLU B 92 6.723 10.806 5.209 1.00 0.00 H new ATOM 0 HG2 GLU B 92 5.416 12.553 4.216 1.00 0.00 H new ATOM 0 HG3 GLU B 92 6.555 13.343 5.288 1.00 0.00 H new ATOM 1672 N ASP B 93 8.392 11.143 7.380 1.00 0.00 N ATOM 1673 CA ASP B 93 8.523 11.297 8.823 1.00 0.00 C ATOM 1674 C ASP B 93 9.996 11.454 9.222 1.00 0.00 C ATOM 1675 O ASP B 93 10.387 12.446 9.830 1.00 0.00 O ATOM 1676 CB ASP B 93 7.878 10.077 9.498 1.00 0.00 C ATOM 1677 CG ASP B 93 8.287 9.967 10.952 1.00 0.00 C ATOM 1678 OD1 ASP B 93 8.250 11.004 11.645 1.00 0.00 O ATOM 1679 OD2 ASP B 93 8.715 8.862 11.343 1.00 0.00 O ATOM 0 H ASP B 93 7.961 10.259 7.111 1.00 0.00 H new ATOM 0 HA ASP B 93 8.012 12.202 9.153 1.00 0.00 H new ATOM 0 HB2 ASP B 93 6.793 10.153 9.429 1.00 0.00 H new ATOM 0 HB3 ASP B 93 8.169 9.170 8.967 1.00 0.00 H new ATOM 1684 N LEU B 94 10.829 10.479 8.875 1.00 0.00 N ATOM 1685 CA LEU B 94 12.208 10.389 9.353 1.00 0.00 C ATOM 1686 C LEU B 94 13.015 11.659 9.036 1.00 0.00 C ATOM 1687 O LEU B 94 13.592 12.268 9.934 1.00 0.00 O ATOM 1688 CB LEU B 94 12.860 9.106 8.819 1.00 0.00 C ATOM 1689 CG LEU B 94 14.163 8.646 9.501 1.00 0.00 C ATOM 1690 CD1 LEU B 94 15.328 8.997 8.587 1.00 0.00 C ATOM 1691 CD2 LEU B 94 14.469 9.220 10.885 1.00 0.00 C ATOM 0 H LEU B 94 10.565 9.720 8.247 1.00 0.00 H new ATOM 0 HA LEU B 94 12.200 10.325 10.441 1.00 0.00 H new ATOM 0 HB2 LEU B 94 12.133 8.298 8.899 1.00 0.00 H new ATOM 0 HB3 LEU B 94 13.065 9.247 7.758 1.00 0.00 H new ATOM 0 HG LEU B 94 14.021 7.578 9.664 1.00 0.00 H new ATOM 0 HD11 LEU B 94 16.262 8.680 9.050 1.00 0.00 H new ATOM 0 HD12 LEU B 94 15.206 8.488 7.631 1.00 0.00 H new ATOM 0 HD13 LEU B 94 15.351 10.075 8.424 1.00 0.00 H new ATOM 0 HD21 LEU B 94 15.413 8.813 11.247 1.00 0.00 H new ATOM 0 HD22 LEU B 94 14.543 10.306 10.820 1.00 0.00 H new ATOM 0 HD23 LEU B 94 13.669 8.951 11.575 1.00 0.00 H new ATOM 1703 N VAL B 95 13.005 12.127 7.785 1.00 0.00 N ATOM 1704 CA VAL B 95 13.529 13.450 7.434 1.00 0.00 C ATOM 1705 C VAL B 95 12.903 14.571 8.304 1.00 0.00 C ATOM 1706 O VAL B 95 13.617 15.417 8.854 1.00 0.00 O ATOM 1707 CB VAL B 95 13.359 13.677 5.921 1.00 0.00 C ATOM 1708 CG1 VAL B 95 13.793 15.083 5.494 1.00 0.00 C ATOM 1709 CG2 VAL B 95 14.205 12.671 5.124 1.00 0.00 C ATOM 0 H VAL B 95 12.636 11.603 6.991 1.00 0.00 H new ATOM 0 HA VAL B 95 14.595 13.490 7.657 1.00 0.00 H new ATOM 0 HB VAL B 95 12.297 13.547 5.712 1.00 0.00 H new ATOM 0 HG11 VAL B 95 13.655 15.196 4.419 1.00 0.00 H new ATOM 0 HG12 VAL B 95 13.189 15.825 6.017 1.00 0.00 H new ATOM 0 HG13 VAL B 95 14.844 15.230 5.742 1.00 0.00 H new ATOM 0 HG21 VAL B 95 14.071 12.848 4.057 1.00 0.00 H new ATOM 0 HG22 VAL B 95 15.257 12.794 5.383 1.00 0.00 H new ATOM 0 HG23 VAL B 95 13.888 11.657 5.366 1.00 0.00 H new ATOM 1719 N ASN B 96 11.577 14.572 8.482 1.00 0.00 N ATOM 1720 CA ASN B 96 10.892 15.467 9.426 1.00 0.00 C ATOM 1721 C ASN B 96 11.498 15.440 10.848 1.00 0.00 C ATOM 1722 O ASN B 96 11.795 16.507 11.388 1.00 0.00 O ATOM 1723 CB ASN B 96 9.364 15.264 9.369 1.00 0.00 C ATOM 1724 CG ASN B 96 8.688 15.237 10.731 1.00 0.00 C ATOM 1725 OD1 ASN B 96 8.276 16.266 11.247 1.00 0.00 O ATOM 1726 ND2 ASN B 96 8.564 14.066 11.322 1.00 0.00 N ATOM 0 H ASN B 96 10.946 13.951 7.975 1.00 0.00 H new ATOM 0 HA ASN B 96 11.071 16.492 9.100 1.00 0.00 H new ATOM 0 HB2 ASN B 96 8.924 16.064 8.773 1.00 0.00 H new ATOM 0 HB3 ASN B 96 9.152 14.328 8.852 1.00 0.00 H new ATOM 0 HD21 ASN B 96 8.114 14.001 12.235 1.00 0.00 H new ATOM 0 HD22 ASN B 96 8.918 13.225 10.866 1.00 0.00 H new ATOM 1733 N GLN B 97 11.771 14.266 11.419 1.00 0.00 N ATOM 1734 CA GLN B 97 12.437 14.128 12.718 1.00 0.00 C ATOM 1735 C GLN B 97 13.918 14.552 12.654 1.00 0.00 C ATOM 1736 O GLN B 97 14.308 15.588 13.188 1.00 0.00 O ATOM 1737 CB GLN B 97 12.316 12.681 13.241 1.00 0.00 C ATOM 1738 CG GLN B 97 10.901 12.083 13.245 1.00 0.00 C ATOM 1739 CD GLN B 97 9.885 12.793 14.126 1.00 0.00 C ATOM 1740 OE1 GLN B 97 10.218 13.580 15.003 1.00 0.00 O ATOM 1741 NE2 GLN B 97 8.612 12.509 13.921 1.00 0.00 N ATOM 0 H GLN B 97 11.534 13.372 10.988 1.00 0.00 H new ATOM 0 HA GLN B 97 11.932 14.799 13.413 1.00 0.00 H new ATOM 0 HB2 GLN B 97 12.958 12.042 12.635 1.00 0.00 H new ATOM 0 HB3 GLN B 97 12.705 12.650 14.259 1.00 0.00 H new ATOM 0 HG2 GLN B 97 10.526 12.078 12.222 1.00 0.00 H new ATOM 0 HG3 GLN B 97 10.967 11.043 13.565 1.00 0.00 H new ATOM 0 HE21 GLN B 97 8.348 11.852 13.187 1.00 0.00 H new ATOM 0 HE22 GLN B 97 7.893 12.947 14.496 1.00 0.00 H new ATOM 1750 N ARG B 98 14.736 13.745 11.975 1.00 0.00 N ATOM 1751 CA ARG B 98 16.201 13.776 11.936 1.00 0.00 C ATOM 1752 C ARG B 98 16.879 13.517 13.287 1.00 0.00 C ATOM 1753 O ARG B 98 17.240 14.438 14.018 1.00 0.00 O ATOM 1754 CB ARG B 98 16.728 15.030 11.235 1.00 0.00 C ATOM 1755 CG ARG B 98 16.741 14.755 9.734 1.00 0.00 C ATOM 1756 CD ARG B 98 16.937 16.036 8.933 1.00 0.00 C ATOM 1757 NE ARG B 98 17.229 15.671 7.542 1.00 0.00 N ATOM 1758 CZ ARG B 98 17.254 16.470 6.484 1.00 0.00 C ATOM 1759 NH1 ARG B 98 16.767 17.690 6.544 1.00 0.00 N ATOM 1760 NH2 ARG B 98 17.769 16.045 5.354 1.00 0.00 N ATOM 0 H ARG B 98 14.363 12.995 11.393 1.00 0.00 H new ATOM 0 HA ARG B 98 16.490 12.921 11.325 1.00 0.00 H new ATOM 0 HB2 ARG B 98 16.095 15.888 11.461 1.00 0.00 H new ATOM 0 HB3 ARG B 98 17.731 15.272 11.588 1.00 0.00 H new ATOM 0 HG2 ARG B 98 17.540 14.052 9.499 1.00 0.00 H new ATOM 0 HG3 ARG B 98 15.804 14.282 9.442 1.00 0.00 H new ATOM 0 HD2 ARG B 98 16.041 16.655 8.983 1.00 0.00 H new ATOM 0 HD3 ARG B 98 17.755 16.623 9.351 1.00 0.00 H new ATOM 0 HE ARG B 98 17.437 14.688 7.369 1.00 0.00 H new ATOM 0 HH11 ARG B 98 16.362 18.035 7.414 1.00 0.00 H new ATOM 0 HH12 ARG B 98 16.794 18.291 5.720 1.00 0.00 H new ATOM 0 HH21 ARG B 98 18.150 15.101 5.290 1.00 0.00 H new ATOM 0 HH22 ARG B 98 17.789 16.659 4.540 1.00 0.00 H new ATOM 1774 N LEU B 99 17.109 12.235 13.562 1.00 0.00 N ATOM 1775 CA LEU B 99 18.029 11.776 14.597 1.00 0.00 C ATOM 1776 C LEU B 99 19.485 12.058 14.177 1.00 0.00 C ATOM 1777 O LEU B 99 19.743 12.435 13.034 1.00 0.00 O ATOM 1778 CB LEU B 99 17.752 10.290 14.876 1.00 0.00 C ATOM 1779 CG LEU B 99 16.247 9.959 14.957 1.00 0.00 C ATOM 1780 CD1 LEU B 99 16.077 8.490 15.333 1.00 0.00 C ATOM 1781 CD2 LEU B 99 15.529 10.813 16.010 1.00 0.00 C ATOM 0 H LEU B 99 16.652 11.473 13.062 1.00 0.00 H new ATOM 0 HA LEU B 99 17.873 12.322 15.528 1.00 0.00 H new ATOM 0 HB2 LEU B 99 18.208 9.688 14.090 1.00 0.00 H new ATOM 0 HB3 LEU B 99 18.231 10.007 15.813 1.00 0.00 H new ATOM 0 HG LEU B 99 15.808 10.171 13.982 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.015 8.250 15.392 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.549 7.864 14.576 1.00 0.00 H new ATOM 0 HD13 LEU B 99 16.545 8.305 16.300 1.00 0.00 H new ATOM 0 HD21 LEU B 99 14.472 10.548 16.034 1.00 0.00 H new ATOM 0 HD22 LEU B 99 15.971 10.631 16.989 1.00 0.00 H new ATOM 0 HD23 LEU B 99 15.633 11.868 15.755 1.00 0.00 H new ATOM 1793 N GLN B 100 20.446 11.924 15.090 1.00 0.00 N ATOM 1794 CA GLN B 100 21.800 12.422 14.867 1.00 0.00 C ATOM 1795 C GLN B 100 22.636 11.421 14.058 1.00 0.00 C ATOM 1796 O GLN B 100 23.096 11.716 12.954 1.00 0.00 O ATOM 1797 CB GLN B 100 22.480 12.769 16.204 1.00 0.00 C ATOM 1798 CG GLN B 100 21.768 13.860 17.022 1.00 0.00 C ATOM 1799 CD GLN B 100 20.439 13.484 17.677 1.00 0.00 C ATOM 1800 OE1 GLN B 100 19.588 14.339 17.875 1.00 0.00 O ATOM 1801 NE2 GLN B 100 20.213 12.238 18.054 1.00 0.00 N ATOM 0 H GLN B 100 20.310 11.473 15.994 1.00 0.00 H new ATOM 0 HA GLN B 100 21.730 13.337 14.279 1.00 0.00 H new ATOM 0 HB2 GLN B 100 22.545 11.864 16.809 1.00 0.00 H new ATOM 0 HB3 GLN B 100 23.501 13.092 16.004 1.00 0.00 H new ATOM 0 HG2 GLN B 100 22.449 14.194 17.805 1.00 0.00 H new ATOM 0 HG3 GLN B 100 21.593 14.714 16.367 1.00 0.00 H new ATOM 0 HE21 GLN B 100 20.919 11.520 17.892 1.00 0.00 H new ATOM 0 HE22 GLN B 100 19.332 11.994 18.507 1.00 0.00 H new ATOM 1810 N SER B 101 22.863 10.239 14.627 1.00 0.00 N ATOM 1811 CA SER B 101 23.723 9.226 14.016 1.00 0.00 C ATOM 1812 C SER B 101 22.998 8.373 12.973 1.00 0.00 C ATOM 1813 O SER B 101 21.831 8.016 13.118 1.00 0.00 O ATOM 1814 CB SER B 101 24.353 8.314 15.076 1.00 0.00 C ATOM 1815 OG SER B 101 25.202 7.341 14.466 1.00 0.00 O ATOM 0 H SER B 101 22.459 9.957 15.520 1.00 0.00 H new ATOM 0 HA SER B 101 24.508 9.780 13.501 1.00 0.00 H new ATOM 0 HB2 SER B 101 24.927 8.913 15.783 1.00 0.00 H new ATOM 0 HB3 SER B 101 23.569 7.814 15.645 1.00 0.00 H new ATOM 0 HG SER B 101 25.641 7.735 13.683 1.00 0.00 H new ATOM 1821 N GLU B 102 23.773 7.934 11.985 1.00 0.00 N ATOM 1822 CA GLU B 102 23.560 6.739 11.186 1.00 0.00 C ATOM 1823 C GLU B 102 22.863 5.634 11.998 1.00 0.00 C ATOM 1824 O GLU B 102 21.791 5.153 11.648 1.00 0.00 O ATOM 1825 CB GLU B 102 24.926 6.251 10.654 1.00 0.00 C ATOM 1826 CG GLU B 102 25.812 7.353 10.030 1.00 0.00 C ATOM 1827 CD GLU B 102 26.766 8.045 10.994 1.00 0.00 C ATOM 1828 OE1 GLU B 102 26.422 8.211 12.188 1.00 0.00 O ATOM 1829 OE2 GLU B 102 27.895 8.394 10.597 1.00 0.00 O ATOM 0 H GLU B 102 24.616 8.436 11.707 1.00 0.00 H new ATOM 0 HA GLU B 102 22.902 6.980 10.351 1.00 0.00 H new ATOM 0 HB2 GLU B 102 25.474 5.785 11.474 1.00 0.00 H new ATOM 0 HB3 GLU B 102 24.753 5.477 9.906 1.00 0.00 H new ATOM 0 HG2 GLU B 102 26.395 6.913 9.221 1.00 0.00 H new ATOM 0 HG3 GLU B 102 25.164 8.107 9.582 1.00 0.00 H new ATOM 1836 N GLN B 103 23.448 5.263 13.140 1.00 0.00 N ATOM 1837 CA GLN B 103 22.886 4.230 14.011 1.00 0.00 C ATOM 1838 C GLN B 103 21.465 4.555 14.473 1.00 0.00 C ATOM 1839 O GLN B 103 20.609 3.676 14.525 1.00 0.00 O ATOM 1840 CB GLN B 103 23.801 4.009 15.219 1.00 0.00 C ATOM 1841 CG GLN B 103 24.989 3.112 14.853 1.00 0.00 C ATOM 1842 CD GLN B 103 24.697 1.622 15.037 1.00 0.00 C ATOM 1843 OE1 GLN B 103 23.794 1.035 14.447 1.00 0.00 O ATOM 1844 NE2 GLN B 103 25.493 0.947 15.842 1.00 0.00 N ATOM 0 H GLN B 103 24.319 5.668 13.484 1.00 0.00 H new ATOM 0 HA GLN B 103 22.824 3.314 13.424 1.00 0.00 H new ATOM 0 HB2 GLN B 103 24.165 4.969 15.584 1.00 0.00 H new ATOM 0 HB3 GLN B 103 23.234 3.554 16.031 1.00 0.00 H new ATOM 0 HG2 GLN B 103 25.269 3.296 13.816 1.00 0.00 H new ATOM 0 HG3 GLN B 103 25.846 3.386 15.468 1.00 0.00 H new ATOM 0 HE21 GLN B 103 26.245 1.427 16.336 1.00 0.00 H new ATOM 0 HE22 GLN B 103 25.357 -0.056 15.971 1.00 0.00 H new ATOM 1853 N GLU B 104 21.218 5.807 14.824 1.00 0.00 N ATOM 1854 CA GLU B 104 19.943 6.243 15.364 1.00 0.00 C ATOM 1855 C GLU B 104 18.869 6.238 14.277 1.00 0.00 C ATOM 1856 O GLU B 104 17.806 5.644 14.469 1.00 0.00 O ATOM 1857 CB GLU B 104 20.127 7.620 15.989 1.00 0.00 C ATOM 1858 CG GLU B 104 21.142 7.565 17.144 1.00 0.00 C ATOM 1859 CD GLU B 104 21.792 8.920 17.380 1.00 0.00 C ATOM 1860 OE1 GLU B 104 21.181 9.935 16.983 1.00 0.00 O ATOM 1861 OE2 GLU B 104 22.959 8.917 17.808 1.00 0.00 O ATOM 0 H GLU B 104 21.905 6.556 14.741 1.00 0.00 H new ATOM 0 HA GLU B 104 19.603 5.554 16.137 1.00 0.00 H new ATOM 0 HB2 GLU B 104 20.469 8.325 15.232 1.00 0.00 H new ATOM 0 HB3 GLU B 104 19.169 7.988 16.358 1.00 0.00 H new ATOM 0 HG2 GLU B 104 20.641 7.237 18.055 1.00 0.00 H new ATOM 0 HG3 GLU B 104 21.911 6.826 16.919 1.00 0.00 H new ATOM 1868 N VAL B 105 19.148 6.828 13.108 1.00 0.00 N ATOM 1869 CA VAL B 105 18.184 6.741 12.019 1.00 0.00 C ATOM 1870 C VAL B 105 17.990 5.286 11.596 1.00 0.00 C ATOM 1871 O VAL B 105 16.855 4.868 11.410 1.00 0.00 O ATOM 1872 CB VAL B 105 18.488 7.664 10.831 1.00 0.00 C ATOM 1873 CG1 VAL B 105 18.427 9.142 11.238 1.00 0.00 C ATOM 1874 CG2 VAL B 105 19.835 7.399 10.168 1.00 0.00 C ATOM 0 H VAL B 105 20.000 7.350 12.901 1.00 0.00 H new ATOM 0 HA VAL B 105 17.239 7.117 12.411 1.00 0.00 H new ATOM 0 HB VAL B 105 17.710 7.437 10.102 1.00 0.00 H new ATOM 0 HG11 VAL B 105 18.647 9.767 10.373 1.00 0.00 H new ATOM 0 HG12 VAL B 105 17.430 9.376 11.610 1.00 0.00 H new ATOM 0 HG13 VAL B 105 19.161 9.334 12.021 1.00 0.00 H new ATOM 0 HG21 VAL B 105 19.975 8.092 9.338 1.00 0.00 H new ATOM 0 HG22 VAL B 105 20.633 7.540 10.897 1.00 0.00 H new ATOM 0 HG23 VAL B 105 19.862 6.375 9.794 1.00 0.00 H new ATOM 1884 N LEU B 106 19.050 4.476 11.504 1.00 0.00 N ATOM 1885 CA LEU B 106 18.860 3.098 11.066 1.00 0.00 C ATOM 1886 C LEU B 106 18.141 2.233 12.121 1.00 0.00 C ATOM 1887 O LEU B 106 17.332 1.379 11.769 1.00 0.00 O ATOM 1888 CB LEU B 106 20.130 2.516 10.420 1.00 0.00 C ATOM 1889 CG LEU B 106 21.229 2.069 11.376 1.00 0.00 C ATOM 1890 CD1 LEU B 106 21.023 0.621 11.785 1.00 0.00 C ATOM 1891 CD2 LEU B 106 22.614 2.156 10.722 1.00 0.00 C ATOM 0 H LEU B 106 20.011 4.740 11.719 1.00 0.00 H new ATOM 0 HA LEU B 106 18.146 3.089 10.242 1.00 0.00 H new ATOM 0 HB2 LEU B 106 19.842 1.662 9.807 1.00 0.00 H new ATOM 0 HB3 LEU B 106 20.546 3.266 9.747 1.00 0.00 H new ATOM 0 HG LEU B 106 21.179 2.733 12.239 1.00 0.00 H new ATOM 0 HD11 LEU B 106 21.817 0.319 12.468 1.00 0.00 H new ATOM 0 HD12 LEU B 106 20.058 0.517 12.282 1.00 0.00 H new ATOM 0 HD13 LEU B 106 21.045 -0.014 10.899 1.00 0.00 H new ATOM 0 HD21 LEU B 106 23.373 1.830 11.433 1.00 0.00 H new ATOM 0 HD22 LEU B 106 22.642 1.514 9.841 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.813 3.186 10.426 1.00 0.00 H new ATOM 1903 N ASN B 107 18.357 2.486 13.422 1.00 0.00 N ATOM 1904 CA ASN B 107 17.532 1.930 14.501 1.00 0.00 C ATOM 1905 C ASN B 107 16.048 2.281 14.315 1.00 0.00 C ATOM 1906 O ASN B 107 15.192 1.401 14.199 1.00 0.00 O ATOM 1907 CB ASN B 107 17.993 2.466 15.870 1.00 0.00 C ATOM 1908 CG ASN B 107 19.254 1.811 16.402 1.00 0.00 C ATOM 1909 OD1 ASN B 107 19.492 0.627 16.177 1.00 0.00 O ATOM 1910 ND2 ASN B 107 20.069 2.548 17.140 1.00 0.00 N ATOM 0 H ASN B 107 19.113 3.085 13.754 1.00 0.00 H new ATOM 0 HA ASN B 107 17.651 0.847 14.464 1.00 0.00 H new ATOM 0 HB2 ASN B 107 18.161 3.540 15.789 1.00 0.00 H new ATOM 0 HB3 ASN B 107 17.190 2.323 16.593 1.00 0.00 H new ATOM 0 HD21 ASN B 107 20.914 2.135 17.534 1.00 0.00 H new ATOM 0 HD22 ASN B 107 19.852 3.529 17.314 1.00 0.00 H new ATOM 1917 N TYR B 108 15.755 3.581 14.313 1.00 0.00 N ATOM 1918 CA TYR B 108 14.413 4.124 14.145 1.00 0.00 C ATOM 1919 C TYR B 108 13.725 3.534 12.912 1.00 0.00 C ATOM 1920 O TYR B 108 12.661 2.926 13.005 1.00 0.00 O ATOM 1921 CB TYR B 108 14.543 5.644 14.051 1.00 0.00 C ATOM 1922 CG TYR B 108 13.232 6.390 13.937 1.00 0.00 C ATOM 1923 CD1 TYR B 108 12.555 6.772 15.107 1.00 0.00 C ATOM 1924 CD2 TYR B 108 12.746 6.797 12.678 1.00 0.00 C ATOM 1925 CE1 TYR B 108 11.426 7.599 15.022 1.00 0.00 C ATOM 1926 CE2 TYR B 108 11.618 7.636 12.600 1.00 0.00 C ATOM 1927 CZ TYR B 108 10.968 8.042 13.774 1.00 0.00 C ATOM 1928 OH TYR B 108 9.857 8.815 13.746 1.00 0.00 O ATOM 0 H TYR B 108 16.466 4.303 14.432 1.00 0.00 H new ATOM 0 HA TYR B 108 13.785 3.857 14.995 1.00 0.00 H new ATOM 0 HB2 TYR B 108 15.073 6.004 14.933 1.00 0.00 H new ATOM 0 HB3 TYR B 108 15.160 5.888 13.186 1.00 0.00 H new ATOM 0 HD1 TYR B 108 12.903 6.429 16.070 1.00 0.00 H new ATOM 0 HD2 TYR B 108 13.238 6.466 11.775 1.00 0.00 H new ATOM 0 HE1 TYR B 108 10.907 7.896 15.922 1.00 0.00 H new ATOM 0 HE2 TYR B 108 11.254 7.966 11.638 1.00 0.00 H new ATOM 0 HH TYR B 108 9.411 8.715 12.879 1.00 0.00 H new ATOM 1938 N ILE B 109 14.369 3.654 11.755 1.00 0.00 N ATOM 1939 CA ILE B 109 13.888 3.106 10.498 1.00 0.00 C ATOM 1940 C ILE B 109 13.632 1.591 10.605 1.00 0.00 C ATOM 1941 O ILE B 109 12.519 1.165 10.330 1.00 0.00 O ATOM 1942 CB ILE B 109 14.846 3.424 9.352 1.00 0.00 C ATOM 1943 CG1 ILE B 109 14.861 4.929 9.060 1.00 0.00 C ATOM 1944 CG2 ILE B 109 14.420 2.647 8.098 1.00 0.00 C ATOM 1945 CD1 ILE B 109 16.055 5.299 8.179 1.00 0.00 C ATOM 0 H ILE B 109 15.258 4.146 11.667 1.00 0.00 H new ATOM 0 HA ILE B 109 12.935 3.585 10.276 1.00 0.00 H new ATOM 0 HB ILE B 109 15.853 3.123 9.641 1.00 0.00 H new ATOM 0 HG12 ILE B 109 13.934 5.217 8.564 1.00 0.00 H new ATOM 0 HG13 ILE B 109 14.908 5.485 9.996 1.00 0.00 H new ATOM 0 HG21 ILE B 109 15.104 2.874 7.280 1.00 0.00 H new ATOM 0 HG22 ILE B 109 14.446 1.577 8.306 1.00 0.00 H new ATOM 0 HG23 ILE B 109 13.408 2.938 7.816 1.00 0.00 H new ATOM 0 HD11 ILE B 109 16.045 6.372 7.985 1.00 0.00 H new ATOM 0 HD12 ILE B 109 16.980 5.031 8.689 1.00 0.00 H new ATOM 0 HD13 ILE B 109 15.992 4.759 7.235 1.00 0.00 H new ATOM 1957 N GLU B 110 14.607 0.747 10.990 1.00 0.00 N ATOM 1958 CA GLU B 110 14.369 -0.702 11.150 1.00 0.00 C ATOM 1959 C GLU B 110 13.108 -0.987 12.005 1.00 0.00 C ATOM 1960 O GLU B 110 12.236 -1.782 11.630 1.00 0.00 O ATOM 1961 CB GLU B 110 15.605 -1.424 11.735 1.00 0.00 C ATOM 1962 CG GLU B 110 16.732 -1.751 10.725 1.00 0.00 C ATOM 1963 CD GLU B 110 17.577 -2.956 11.127 1.00 0.00 C ATOM 1964 OE1 GLU B 110 18.405 -2.858 12.065 1.00 0.00 O ATOM 1965 OE2 GLU B 110 17.390 -4.032 10.510 1.00 0.00 O ATOM 0 H GLU B 110 15.562 1.040 11.195 1.00 0.00 H new ATOM 0 HA GLU B 110 14.191 -1.103 10.152 1.00 0.00 H new ATOM 0 HB2 GLU B 110 16.022 -0.805 12.529 1.00 0.00 H new ATOM 0 HB3 GLU B 110 15.275 -2.355 12.197 1.00 0.00 H new ATOM 0 HG2 GLU B 110 16.290 -1.937 9.746 1.00 0.00 H new ATOM 0 HG3 GLU B 110 17.380 -0.881 10.621 1.00 0.00 H new ATOM 1972 N THR B 111 12.987 -0.303 13.143 1.00 0.00 N ATOM 1973 CA THR B 111 11.797 -0.374 13.997 1.00 0.00 C ATOM 1974 C THR B 111 10.516 -0.013 13.224 1.00 0.00 C ATOM 1975 O THR B 111 9.593 -0.822 13.119 1.00 0.00 O ATOM 1976 CB THR B 111 11.981 0.504 15.246 1.00 0.00 C ATOM 1977 OG1 THR B 111 13.221 0.196 15.849 1.00 0.00 O ATOM 1978 CG2 THR B 111 10.893 0.235 16.283 1.00 0.00 C ATOM 0 H THR B 111 13.713 0.318 13.501 1.00 0.00 H new ATOM 0 HA THR B 111 11.678 -1.406 14.326 1.00 0.00 H new ATOM 0 HB THR B 111 11.932 1.546 14.929 1.00 0.00 H new ATOM 0 HG1 THR B 111 13.938 0.677 15.386 1.00 0.00 H new ATOM 0 HG21 THR B 111 11.054 0.872 17.153 1.00 0.00 H new ATOM 0 HG22 THR B 111 9.916 0.451 15.850 1.00 0.00 H new ATOM 0 HG23 THR B 111 10.931 -0.811 16.588 1.00 0.00 H new ATOM 1986 N GLN B 112 10.474 1.168 12.610 1.00 0.00 N ATOM 1987 CA GLN B 112 9.339 1.632 11.823 1.00 0.00 C ATOM 1988 C GLN B 112 9.015 0.741 10.604 1.00 0.00 C ATOM 1989 O GLN B 112 7.851 0.527 10.281 1.00 0.00 O ATOM 1990 CB GLN B 112 9.555 3.097 11.439 1.00 0.00 C ATOM 1991 CG GLN B 112 9.536 4.043 12.653 1.00 0.00 C ATOM 1992 CD GLN B 112 8.617 5.237 12.423 1.00 0.00 C ATOM 1993 OE1 GLN B 112 7.504 5.262 12.925 1.00 0.00 O ATOM 1994 NE2 GLN B 112 9.072 6.195 11.640 1.00 0.00 N ATOM 0 H GLN B 112 11.242 1.839 12.648 1.00 0.00 H new ATOM 0 HA GLN B 112 8.450 1.554 12.449 1.00 0.00 H new ATOM 0 HB2 GLN B 112 10.510 3.195 10.923 1.00 0.00 H new ATOM 0 HB3 GLN B 112 8.780 3.401 10.735 1.00 0.00 H new ATOM 0 HG2 GLN B 112 9.207 3.495 13.536 1.00 0.00 H new ATOM 0 HG3 GLN B 112 10.547 4.396 12.855 1.00 0.00 H new ATOM 0 HE21 GLN B 112 10.010 6.128 11.244 1.00 0.00 H new ATOM 0 HE22 GLN B 112 8.486 7.003 11.430 1.00 0.00 H new ATOM 2003 N ARG B 113 10.008 0.139 9.942 1.00 0.00 N ATOM 2004 CA ARG B 113 9.778 -0.909 8.944 1.00 0.00 C ATOM 2005 C ARG B 113 9.000 -2.081 9.555 1.00 0.00 C ATOM 2006 O ARG B 113 8.193 -2.732 8.891 1.00 0.00 O ATOM 2007 CB ARG B 113 11.098 -1.445 8.367 1.00 0.00 C ATOM 2008 CG ARG B 113 11.889 -0.475 7.496 1.00 0.00 C ATOM 2009 CD ARG B 113 12.820 -1.291 6.585 1.00 0.00 C ATOM 2010 NE ARG B 113 12.111 -1.715 5.354 1.00 0.00 N ATOM 2011 CZ ARG B 113 12.388 -2.721 4.522 1.00 0.00 C ATOM 2012 NH1 ARG B 113 13.080 -3.784 4.885 1.00 0.00 N ATOM 2013 NH2 ARG B 113 11.945 -2.678 3.287 1.00 0.00 N ATOM 0 H ARG B 113 10.993 0.365 10.083 1.00 0.00 H new ATOM 0 HA ARG B 113 9.198 -0.455 8.141 1.00 0.00 H new ATOM 0 HB2 ARG B 113 11.733 -1.759 9.196 1.00 0.00 H new ATOM 0 HB3 ARG B 113 10.879 -2.336 7.778 1.00 0.00 H new ATOM 0 HG2 ARG B 113 11.213 0.136 6.898 1.00 0.00 H new ATOM 0 HG3 ARG B 113 12.469 0.207 8.118 1.00 0.00 H new ATOM 0 HD2 ARG B 113 13.693 -0.694 6.320 1.00 0.00 H new ATOM 0 HD3 ARG B 113 13.184 -2.168 7.121 1.00 0.00 H new ATOM 0 HE ARG B 113 11.293 -1.157 5.107 1.00 0.00 H new ATOM 0 HH11 ARG B 113 13.430 -3.863 5.840 1.00 0.00 H new ATOM 0 HH12 ARG B 113 13.265 -4.527 4.211 1.00 0.00 H new ATOM 0 HH21 ARG B 113 11.394 -1.880 2.970 1.00 0.00 H new ATOM 0 HH22 ARG B 113 12.152 -3.442 2.644 1.00 0.00 H new ATOM 2027 N THR B 114 9.268 -2.410 10.817 1.00 0.00 N ATOM 2028 CA THR B 114 8.486 -3.405 11.561 1.00 0.00 C ATOM 2029 C THR B 114 7.080 -2.941 11.987 1.00 0.00 C ATOM 2030 O THR B 114 6.141 -3.728 11.884 1.00 0.00 O ATOM 2031 CB THR B 114 9.332 -4.072 12.649 1.00 0.00 C ATOM 2032 OG1 THR B 114 10.377 -4.755 11.971 1.00 0.00 O ATOM 2033 CG2 THR B 114 8.553 -5.114 13.451 1.00 0.00 C ATOM 0 H THR B 114 10.030 -1.998 11.355 1.00 0.00 H new ATOM 0 HA THR B 114 8.234 -4.199 10.859 1.00 0.00 H new ATOM 0 HB THR B 114 9.675 -3.308 13.346 1.00 0.00 H new ATOM 0 HG1 THR B 114 10.954 -5.202 12.625 1.00 0.00 H new ATOM 0 HG21 THR B 114 9.204 -5.553 14.207 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.702 -4.637 13.937 1.00 0.00 H new ATOM 0 HG23 THR B 114 8.196 -5.896 12.781 1.00 0.00 H new ATOM 2041 N TYR B 115 6.877 -1.673 12.347 1.00 0.00 N ATOM 2042 CA TYR B 115 5.521 -1.100 12.372 1.00 0.00 C ATOM 2043 C TYR B 115 4.804 -1.303 11.020 1.00 0.00 C ATOM 2044 O TYR B 115 3.761 -1.954 10.941 1.00 0.00 O ATOM 2045 CB TYR B 115 5.578 0.382 12.780 1.00 0.00 C ATOM 2046 CG TYR B 115 4.374 1.207 12.360 1.00 0.00 C ATOM 2047 CD1 TYR B 115 3.162 1.096 13.063 1.00 0.00 C ATOM 2048 CD2 TYR B 115 4.436 1.996 11.194 1.00 0.00 C ATOM 2049 CE1 TYR B 115 2.014 1.758 12.593 1.00 0.00 C ATOM 2050 CE2 TYR B 115 3.277 2.620 10.704 1.00 0.00 C ATOM 2051 CZ TYR B 115 2.072 2.520 11.415 1.00 0.00 C ATOM 2052 OH TYR B 115 0.934 3.041 10.883 1.00 0.00 O ATOM 0 H TYR B 115 7.618 -1.028 12.622 1.00 0.00 H new ATOM 0 HA TYR B 115 4.932 -1.629 13.121 1.00 0.00 H new ATOM 0 HB2 TYR B 115 5.681 0.442 13.863 1.00 0.00 H new ATOM 0 HB3 TYR B 115 6.474 0.828 12.349 1.00 0.00 H new ATOM 0 HD1 TYR B 115 3.112 0.502 13.964 1.00 0.00 H new ATOM 0 HD2 TYR B 115 5.376 2.121 10.677 1.00 0.00 H new ATOM 0 HE1 TYR B 115 1.086 1.680 13.139 1.00 0.00 H new ATOM 0 HE2 TYR B 115 3.314 3.177 9.779 1.00 0.00 H new ATOM 0 HH TYR B 115 0.160 2.532 11.203 1.00 0.00 H new ATOM 2062 N TRP B 116 5.395 -0.809 9.931 1.00 0.00 N ATOM 2063 CA TRP B 116 4.838 -0.944 8.590 1.00 0.00 C ATOM 2064 C TRP B 116 4.548 -2.394 8.203 1.00 0.00 C ATOM 2065 O TRP B 116 3.470 -2.700 7.707 1.00 0.00 O ATOM 2066 CB TRP B 116 5.725 -0.236 7.561 1.00 0.00 C ATOM 2067 CG TRP B 116 5.292 1.169 7.296 1.00 0.00 C ATOM 2068 CD1 TRP B 116 5.988 2.293 7.568 1.00 0.00 C ATOM 2069 CD2 TRP B 116 3.991 1.615 6.819 1.00 0.00 C ATOM 2070 NE1 TRP B 116 5.224 3.394 7.253 1.00 0.00 N ATOM 2071 CE2 TRP B 116 3.974 3.037 6.806 1.00 0.00 C ATOM 2072 CE3 TRP B 116 2.806 0.954 6.435 1.00 0.00 C ATOM 2073 CZ2 TRP B 116 2.843 3.766 6.422 1.00 0.00 C ATOM 2074 CZ3 TRP B 116 1.639 1.681 6.145 1.00 0.00 C ATOM 2075 CH2 TRP B 116 1.659 3.085 6.131 1.00 0.00 C ATOM 0 H TRP B 116 6.279 -0.301 9.958 1.00 0.00 H new ATOM 0 HA TRP B 116 3.867 -0.448 8.597 1.00 0.00 H new ATOM 0 HB2 TRP B 116 6.755 -0.233 7.916 1.00 0.00 H new ATOM 0 HB3 TRP B 116 5.711 -0.798 6.627 1.00 0.00 H new ATOM 0 HD1 TRP B 116 6.990 2.324 7.971 1.00 0.00 H new ATOM 0 HE1 TRP B 116 5.546 4.358 7.341 1.00 0.00 H new ATOM 0 HE3 TRP B 116 2.795 -0.124 6.363 1.00 0.00 H new ATOM 0 HZ2 TRP B 116 2.885 4.843 6.351 1.00 0.00 H new ATOM 0 HZ3 TRP B 116 0.720 1.156 5.931 1.00 0.00 H new ATOM 0 HH2 TRP B 116 0.761 3.637 5.896 1.00 0.00 H new ATOM 2086 N LYS B 117 5.468 -3.320 8.469 1.00 0.00 N ATOM 2087 CA LYS B 117 5.216 -4.756 8.364 1.00 0.00 C ATOM 2088 C LYS B 117 3.870 -5.147 9.011 1.00 0.00 C ATOM 2089 O LYS B 117 3.037 -5.779 8.359 1.00 0.00 O ATOM 2090 CB LYS B 117 6.416 -5.485 8.989 1.00 0.00 C ATOM 2091 CG LYS B 117 6.350 -7.014 9.038 1.00 0.00 C ATOM 2092 CD LYS B 117 7.411 -7.601 9.995 1.00 0.00 C ATOM 2093 CE LYS B 117 8.866 -7.504 9.497 1.00 0.00 C ATOM 2094 NZ LYS B 117 9.533 -6.206 9.765 1.00 0.00 N ATOM 0 H LYS B 117 6.417 -3.093 8.766 1.00 0.00 H new ATOM 0 HA LYS B 117 5.121 -5.053 7.319 1.00 0.00 H new ATOM 0 HB2 LYS B 117 7.311 -5.202 8.435 1.00 0.00 H new ATOM 0 HB3 LYS B 117 6.543 -5.118 10.008 1.00 0.00 H new ATOM 0 HG2 LYS B 117 5.357 -7.325 9.361 1.00 0.00 H new ATOM 0 HG3 LYS B 117 6.500 -7.417 8.037 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.337 -7.088 10.954 1.00 0.00 H new ATOM 0 HD3 LYS B 117 7.174 -8.650 10.176 1.00 0.00 H new ATOM 0 HE2 LYS B 117 9.448 -8.298 9.964 1.00 0.00 H new ATOM 0 HE3 LYS B 117 8.880 -7.688 8.423 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 10.357 -6.103 9.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 8.865 -5.429 9.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 9.846 -6.174 10.756 1.00 0.00 H new ATOM 2108 N LEU B 118 3.618 -4.738 10.258 1.00 0.00 N ATOM 2109 CA LEU B 118 2.330 -4.986 10.910 1.00 0.00 C ATOM 2110 C LEU B 118 1.147 -4.281 10.212 1.00 0.00 C ATOM 2111 O LEU B 118 0.130 -4.920 9.939 1.00 0.00 O ATOM 2112 CB LEU B 118 2.406 -4.677 12.411 1.00 0.00 C ATOM 2113 CG LEU B 118 3.415 -5.568 13.162 1.00 0.00 C ATOM 2114 CD1 LEU B 118 3.505 -5.093 14.615 1.00 0.00 C ATOM 2115 CD2 LEU B 118 3.037 -7.052 13.141 1.00 0.00 C ATOM 0 H LEU B 118 4.290 -4.233 10.836 1.00 0.00 H new ATOM 0 HA LEU B 118 2.121 -6.051 10.806 1.00 0.00 H new ATOM 0 HB2 LEU B 118 2.682 -3.631 12.547 1.00 0.00 H new ATOM 0 HB3 LEU B 118 1.418 -4.806 12.853 1.00 0.00 H new ATOM 0 HG LEU B 118 4.374 -5.476 12.652 1.00 0.00 H new ATOM 0 HD11 LEU B 118 4.216 -5.716 15.158 1.00 0.00 H new ATOM 0 HD12 LEU B 118 3.839 -4.056 14.639 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.524 -5.169 15.084 1.00 0.00 H new ATOM 0 HD21 LEU B 118 3.786 -7.626 13.686 1.00 0.00 H new ATOM 0 HD22 LEU B 118 2.063 -7.186 13.612 1.00 0.00 H new ATOM 0 HD23 LEU B 118 2.992 -7.401 12.110 1.00 0.00 H new ATOM 2127 N GLU B 119 1.250 -3.000 9.840 1.00 0.00 N ATOM 2128 CA GLU B 119 0.233 -2.356 8.990 1.00 0.00 C ATOM 2129 C GLU B 119 -0.012 -3.116 7.677 1.00 0.00 C ATOM 2130 O GLU B 119 -1.127 -3.191 7.167 1.00 0.00 O ATOM 2131 CB GLU B 119 0.632 -0.920 8.648 1.00 0.00 C ATOM 2132 CG GLU B 119 0.592 0.046 9.836 1.00 0.00 C ATOM 2133 CD GLU B 119 -0.794 0.364 10.374 1.00 0.00 C ATOM 2134 OE1 GLU B 119 -1.808 -0.092 9.798 1.00 0.00 O ATOM 2135 OE2 GLU B 119 -0.860 1.007 11.440 1.00 0.00 O ATOM 0 H GLU B 119 2.021 -2.389 10.110 1.00 0.00 H new ATOM 0 HA GLU B 119 -0.688 -2.365 9.573 1.00 0.00 H new ATOM 0 HB2 GLU B 119 1.640 -0.925 8.232 1.00 0.00 H new ATOM 0 HB3 GLU B 119 -0.032 -0.547 7.869 1.00 0.00 H new ATOM 0 HG2 GLU B 119 1.189 -0.375 10.645 1.00 0.00 H new ATOM 0 HG3 GLU B 119 1.071 0.979 9.539 1.00 0.00 H new ATOM 2142 N ASN B 120 1.021 -3.736 7.112 1.00 0.00 N ATOM 2143 CA ASN B 120 0.931 -4.571 5.920 1.00 0.00 C ATOM 2144 C ASN B 120 0.302 -5.960 6.205 1.00 0.00 C ATOM 2145 O ASN B 120 0.038 -6.729 5.274 1.00 0.00 O ATOM 2146 CB ASN B 120 2.317 -4.708 5.266 1.00 0.00 C ATOM 2147 CG ASN B 120 3.098 -3.431 4.975 1.00 0.00 C ATOM 2148 OD1 ASN B 120 4.318 -3.464 4.881 1.00 0.00 O ATOM 2149 ND2 ASN B 120 2.432 -2.304 4.793 1.00 0.00 N ATOM 0 H ASN B 120 1.969 -3.669 7.482 1.00 0.00 H new ATOM 0 HA ASN B 120 0.257 -4.073 5.223 1.00 0.00 H new ATOM 0 HB2 ASN B 120 2.931 -5.336 5.912 1.00 0.00 H new ATOM 0 HB3 ASN B 120 2.192 -5.245 4.326 1.00 0.00 H new ATOM 0 HD21 ASN B 120 2.935 -1.445 4.571 1.00 0.00 H new ATOM 0 HD22 ASN B 120 1.415 -2.293 4.875 1.00 0.00 H new ATOM 2156 N GLN B 121 0.061 -6.290 7.477 1.00 0.00 N ATOM 2157 CA GLN B 121 -0.392 -7.589 7.987 1.00 0.00 C ATOM 2158 C GLN B 121 -1.826 -7.560 8.550 1.00 0.00 C ATOM 2159 O GLN B 121 -2.605 -8.466 8.278 1.00 0.00 O ATOM 2160 CB GLN B 121 0.631 -8.024 9.043 1.00 0.00 C ATOM 2161 CG GLN B 121 0.548 -9.488 9.488 1.00 0.00 C ATOM 2162 CD GLN B 121 1.762 -9.817 10.348 1.00 0.00 C ATOM 2163 OE1 GLN B 121 2.827 -10.121 9.831 1.00 0.00 O ATOM 2164 NE2 GLN B 121 1.652 -9.702 11.660 1.00 0.00 N ATOM 0 H GLN B 121 0.185 -5.612 8.229 1.00 0.00 H new ATOM 0 HA GLN B 121 -0.444 -8.307 7.169 1.00 0.00 H new ATOM 0 HB2 GLN B 121 1.631 -7.839 8.651 1.00 0.00 H new ATOM 0 HB3 GLN B 121 0.511 -7.390 9.921 1.00 0.00 H new ATOM 0 HG2 GLN B 121 -0.369 -9.658 10.052 1.00 0.00 H new ATOM 0 HG3 GLN B 121 0.514 -10.144 8.618 1.00 0.00 H new ATOM 0 HE21 GLN B 121 0.756 -9.448 12.076 1.00 0.00 H new ATOM 0 HE22 GLN B 121 2.463 -9.868 12.256 1.00 0.00 H new ATOM 2173 N LYS B 122 -2.187 -6.520 9.313 1.00 0.00 N ATOM 2174 CA LYS B 122 -3.510 -6.309 9.917 1.00 0.00 C ATOM 2175 C LYS B 122 -4.711 -6.771 9.044 1.00 0.00 C ATOM 2176 O LYS B 122 -4.750 -6.532 7.833 1.00 0.00 O ATOM 2177 CB LYS B 122 -3.655 -4.808 10.206 1.00 0.00 C ATOM 2178 CG LYS B 122 -2.919 -4.209 11.417 1.00 0.00 C ATOM 2179 CD LYS B 122 -3.408 -2.752 11.513 1.00 0.00 C ATOM 2180 CE LYS B 122 -2.577 -1.796 12.382 1.00 0.00 C ATOM 2181 NZ LYS B 122 -2.992 -0.391 12.141 1.00 0.00 N ATOM 0 H LYS B 122 -1.535 -5.768 9.537 1.00 0.00 H new ATOM 0 HA LYS B 122 -3.548 -6.924 10.816 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -3.323 -4.268 9.319 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -4.717 -4.597 10.329 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -3.148 -4.761 12.328 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -1.838 -4.253 11.281 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -3.452 -2.342 10.504 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -4.428 -2.761 11.898 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -2.706 -2.045 13.435 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -1.518 -1.914 12.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -2.204 0.248 12.371 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -3.254 -0.273 11.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -3.809 -0.162 12.742 1.00 0.00 H new ATOM 2195 N LYS B 123 -5.722 -7.387 9.664 1.00 0.00 N ATOM 2196 CA LYS B 123 -6.924 -7.909 8.999 1.00 0.00 C ATOM 2197 C LYS B 123 -7.795 -6.838 8.308 1.00 0.00 C ATOM 2198 O LYS B 123 -8.196 -5.875 8.959 1.00 0.00 O ATOM 2199 CB LYS B 123 -7.761 -8.691 10.034 1.00 0.00 C ATOM 2200 CG LYS B 123 -8.352 -7.818 11.163 1.00 0.00 C ATOM 2201 CD LYS B 123 -9.838 -7.459 10.941 1.00 0.00 C ATOM 2202 CE LYS B 123 -10.214 -6.152 11.660 1.00 0.00 C ATOM 2203 NZ LYS B 123 -9.782 -4.969 10.883 1.00 0.00 N ATOM 0 H LYS B 123 -5.729 -7.542 10.672 1.00 0.00 H new ATOM 0 HA LYS B 123 -6.580 -8.557 8.193 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -8.576 -9.197 9.517 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -7.136 -9.466 10.479 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -8.250 -8.345 12.112 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -7.771 -6.899 11.245 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -10.034 -7.358 9.873 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -10.468 -8.270 11.305 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -11.293 -6.116 11.813 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -9.751 -6.131 12.647 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -9.715 -4.145 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -8.852 -5.155 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -10.475 -4.775 10.132 1.00 0.00 H new ATOM 2217 N LEU B 124 -8.167 -7.050 7.039 1.00 0.00 N ATOM 2218 CA LEU B 124 -9.331 -6.418 6.393 1.00 0.00 C ATOM 2219 C LEU B 124 -10.327 -7.500 5.945 1.00 0.00 C ATOM 2220 O LEU B 124 -10.003 -8.322 5.088 1.00 0.00 O ATOM 2221 CB LEU B 124 -8.907 -5.502 5.224 1.00 0.00 C ATOM 2222 CG LEU B 124 -10.082 -5.028 4.340 1.00 0.00 C ATOM 2223 CD1 LEU B 124 -11.228 -4.382 5.100 1.00 0.00 C ATOM 2224 CD2 LEU B 124 -9.655 -3.984 3.322 1.00 0.00 C ATOM 0 H LEU B 124 -7.658 -7.678 6.417 1.00 0.00 H new ATOM 0 HA LEU B 124 -9.827 -5.775 7.120 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -8.394 -4.629 5.627 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -8.188 -6.034 4.601 1.00 0.00 H new ATOM 0 HG LEU B 124 -10.413 -5.957 3.876 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -12.006 -4.081 4.398 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -11.639 -5.096 5.814 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -10.862 -3.505 5.634 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -10.517 -3.684 2.726 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -9.251 -3.114 3.840 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -8.890 -4.404 2.669 1.00 0.00 H new ATOM 2236 N TYR B 125 -11.537 -7.519 6.499 1.00 0.00 N ATOM 2237 CA TYR B 125 -12.559 -8.556 6.266 1.00 0.00 C ATOM 2238 C TYR B 125 -13.200 -8.581 4.852 1.00 0.00 C ATOM 2239 O TYR B 125 -14.299 -9.095 4.680 1.00 0.00 O ATOM 2240 CB TYR B 125 -13.611 -8.450 7.387 1.00 0.00 C ATOM 2241 CG TYR B 125 -14.037 -7.033 7.728 1.00 0.00 C ATOM 2242 CD1 TYR B 125 -14.622 -6.207 6.747 1.00 0.00 C ATOM 2243 CD2 TYR B 125 -13.659 -6.482 8.968 1.00 0.00 C ATOM 2244 CE1 TYR B 125 -14.730 -4.823 6.969 1.00 0.00 C ATOM 2245 CE2 TYR B 125 -13.776 -5.100 9.185 1.00 0.00 C ATOM 2246 CZ TYR B 125 -14.299 -4.271 8.183 1.00 0.00 C ATOM 2247 OH TYR B 125 -14.173 -2.932 8.324 1.00 0.00 O ATOM 0 H TYR B 125 -11.850 -6.794 7.144 1.00 0.00 H new ATOM 0 HA TYR B 125 -12.047 -9.518 6.298 1.00 0.00 H new ATOM 0 HB2 TYR B 125 -14.493 -9.019 7.093 1.00 0.00 H new ATOM 0 HB3 TYR B 125 -13.213 -8.921 8.286 1.00 0.00 H new ATOM 0 HD1 TYR B 125 -14.987 -6.637 5.826 1.00 0.00 H new ATOM 0 HD2 TYR B 125 -13.280 -7.122 9.751 1.00 0.00 H new ATOM 0 HE1 TYR B 125 -15.145 -4.185 6.203 1.00 0.00 H new ATOM 0 HE2 TYR B 125 -13.462 -4.674 10.127 1.00 0.00 H new ATOM 0 HH TYR B 125 -14.829 -2.480 7.753 1.00 0.00 H new ATOM 2257 N ARG B 126 -12.519 -8.054 3.826 1.00 0.00 N ATOM 2258 CA ARG B 126 -12.936 -8.023 2.415 1.00 0.00 C ATOM 2259 C ARG B 126 -14.145 -7.108 2.119 1.00 0.00 C ATOM 2260 O ARG B 126 -14.055 -6.226 1.269 1.00 0.00 O ATOM 2261 CB ARG B 126 -13.189 -9.436 1.851 1.00 0.00 C ATOM 2262 CG ARG B 126 -12.072 -10.472 2.054 1.00 0.00 C ATOM 2263 CD ARG B 126 -10.729 -10.076 1.426 1.00 0.00 C ATOM 2264 NE ARG B 126 -9.897 -9.333 2.390 1.00 0.00 N ATOM 2265 CZ ARG B 126 -8.580 -9.121 2.336 1.00 0.00 C ATOM 2266 NH1 ARG B 126 -7.848 -9.416 1.281 1.00 0.00 N ATOM 2267 NH2 ARG B 126 -7.973 -8.610 3.381 1.00 0.00 N ATOM 0 H ARG B 126 -11.610 -7.612 3.965 1.00 0.00 H new ATOM 0 HA ARG B 126 -12.084 -7.580 1.899 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -14.100 -9.825 2.305 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -13.379 -9.346 0.781 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -11.928 -10.631 3.123 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -12.392 -11.424 1.630 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -10.200 -10.970 1.096 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -10.903 -9.463 0.541 1.00 0.00 H new ATOM 0 HE ARG B 126 -10.385 -8.934 3.192 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -8.285 -9.826 0.456 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -6.844 -9.234 1.290 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -8.507 -8.381 4.219 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -6.967 -8.442 3.355 1.00 0.00 H new