USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 THR OG1 : rot -61:sc= -0.111 USER MOD Set 1.2: A 51 SER OG : rot 180:sc= 0.0201 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0.0216 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.643 X(o=0.66,f=0.16) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0803 X(o=-0.08,f=0) USER MOD Single : A 22 THR OG1 : rot 45:sc= 0.436 USER MOD Single : A 25 LYS NZ :NH3+ 165:sc=-0.00789 (180deg=-0.144) USER MOD Single : A 27 ASN : amide:sc= -1.66 K(o=-1.7,f=-5.5!) USER MOD Single : A 28 GLN : amide:sc= -1.24 K(o=-1.2,f=-2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0.018) USER MOD Single : A 57 CYS SG : rot -123:sc= -2.54! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 158:sc= -0.0635 (180deg=-0.349) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.47 F(o=-2,f=-1.5) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.012 X(o=-0.012,f=-0.29) USER MOD Single : A 76 ASN : amide:sc= -1.04 X(o=-1,f=-0.72) USER MOD Single : A 79 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-4.7!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.634 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= 0.32 F(o=-0.21,f=0.32) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -150:sc= -0.93 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.410 -4.213 0.977 1.00 0.00 N ATOM 102 CA ALA A 11 -13.083 -3.621 1.090 1.00 0.00 C ATOM 103 C ALA A 11 -12.324 -4.197 2.280 1.00 0.00 C ATOM 104 O ALA A 11 -11.099 -4.096 2.356 1.00 0.00 O ATOM 105 CB ALA A 11 -13.188 -2.108 1.211 1.00 0.00 C ATOM 0 HA ALA A 11 -12.526 -3.864 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.189 -1.680 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.683 -1.706 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.768 -1.853 2.098 1.00 0.00 H new ATOM 111 N ARG A 12 -13.059 -4.801 3.208 1.00 0.00 N ATOM 112 CA ARG A 12 -12.454 -5.392 4.397 1.00 0.00 C ATOM 113 C ARG A 12 -11.642 -6.632 4.034 1.00 0.00 C ATOM 114 O ARG A 12 -10.680 -6.978 4.720 1.00 0.00 O ATOM 115 CB ARG A 12 -13.534 -5.756 5.417 1.00 0.00 C ATOM 116 CG ARG A 12 -14.160 -7.121 5.180 1.00 0.00 C ATOM 117 CD ARG A 12 -15.327 -7.370 6.122 1.00 0.00 C ATOM 118 NE ARG A 12 -16.309 -8.286 5.548 1.00 0.00 N ATOM 119 CZ ARG A 12 -16.068 -9.573 5.322 1.00 0.00 C ATOM 120 NH1 ARG A 12 -14.885 -10.092 5.619 1.00 0.00 N ATOM 121 NH2 ARG A 12 -17.012 -10.343 4.796 1.00 0.00 N ATOM 0 H ARG A 12 -14.074 -4.894 3.160 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.782 -4.655 4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.100 -5.733 6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.316 -4.997 5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.503 -7.191 4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.407 -7.897 5.319 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.954 -7.780 7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.810 -6.422 6.358 1.00 0.00 H new ATOM 0 HE ARG A 12 -17.229 -7.918 5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.156 -9.503 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.703 -11.080 5.444 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.923 -9.947 4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.826 -11.331 4.623 1.00 0.00 H new ATOM 135 N ARG A 13 -12.038 -7.297 2.954 1.00 0.00 N ATOM 136 CA ARG A 13 -11.348 -8.499 2.502 1.00 0.00 C ATOM 137 C ARG A 13 -10.008 -8.149 1.860 1.00 0.00 C ATOM 138 O ARG A 13 -9.158 -9.017 1.660 1.00 0.00 O ATOM 139 CB ARG A 13 -12.218 -9.267 1.504 1.00 0.00 C ATOM 140 CG ARG A 13 -13.599 -9.610 2.038 1.00 0.00 C ATOM 141 CD ARG A 13 -14.546 -10.007 0.917 1.00 0.00 C ATOM 142 NE ARG A 13 -15.774 -10.613 1.427 1.00 0.00 N ATOM 143 CZ ARG A 13 -15.887 -11.902 1.728 1.00 0.00 C ATOM 144 NH1 ARG A 13 -14.852 -12.716 1.571 1.00 0.00 N ATOM 145 NH2 ARG A 13 -17.037 -12.379 2.187 1.00 0.00 N ATOM 0 H ARG A 13 -12.833 -7.024 2.376 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.161 -9.129 3.372 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.326 -8.673 0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.707 -10.188 1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.520 -10.426 2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.007 -8.753 2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.795 -9.127 0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.045 -10.709 0.251 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.589 -10.014 1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.966 -12.353 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.941 -13.705 1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.835 -11.756 2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.123 -13.369 2.418 1.00 0.00 H new ATOM 159 N LEU A 14 -9.827 -6.872 1.541 1.00 0.00 N ATOM 160 CA LEU A 14 -8.591 -6.407 0.921 1.00 0.00 C ATOM 161 C LEU A 14 -7.418 -6.527 1.889 1.00 0.00 C ATOM 162 O LEU A 14 -7.535 -6.193 3.069 1.00 0.00 O ATOM 163 CB LEU A 14 -8.742 -4.955 0.464 1.00 0.00 C ATOM 164 CG LEU A 14 -9.896 -4.671 -0.498 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.063 -3.173 -0.705 1.00 0.00 C ATOM 166 CD2 LEU A 14 -9.667 -5.373 -1.828 1.00 0.00 C ATOM 0 H LEU A 14 -10.520 -6.141 1.701 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.389 -7.036 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.869 -4.329 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.812 -4.647 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.814 -5.060 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.889 -2.991 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.275 -2.695 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.145 -2.759 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.498 -5.160 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.739 -5.015 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.599 -6.449 -1.665 1.00 0.00 H new ATOM 178 N THR A 15 -6.286 -7.006 1.382 1.00 0.00 N ATOM 179 CA THR A 15 -5.091 -7.170 2.201 1.00 0.00 C ATOM 180 C THR A 15 -3.829 -6.902 1.390 1.00 0.00 C ATOM 181 O THR A 15 -3.855 -6.912 0.159 1.00 0.00 O ATOM 182 CB THR A 15 -5.012 -8.586 2.801 1.00 0.00 C ATOM 183 OG1 THR A 15 -5.382 -9.557 1.816 1.00 0.00 O ATOM 184 CG2 THR A 15 -5.923 -8.713 4.013 1.00 0.00 C ATOM 0 H THR A 15 -6.172 -7.287 0.408 1.00 0.00 H new ATOM 0 HA THR A 15 -5.160 -6.444 3.011 1.00 0.00 H new ATOM 0 HB THR A 15 -3.985 -8.765 3.119 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.328 -10.455 2.205 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.850 -9.722 4.419 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.620 -7.993 4.773 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.953 -8.515 3.716 1.00 0.00 H new ATOM 192 N VAL A 16 -2.723 -6.663 2.088 1.00 0.00 N ATOM 193 CA VAL A 16 -1.448 -6.394 1.432 1.00 0.00 C ATOM 194 C VAL A 16 -0.301 -7.090 2.155 1.00 0.00 C ATOM 195 O VAL A 16 -0.071 -6.863 3.343 1.00 0.00 O ATOM 196 CB VAL A 16 -1.159 -4.883 1.367 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.140 -4.620 0.620 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.318 -4.146 0.714 1.00 0.00 C ATOM 0 H VAL A 16 -2.684 -6.650 3.107 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.524 -6.785 0.418 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.048 -4.508 2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.328 -3.547 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.963 -5.116 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.061 -5.009 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.096 -3.079 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.464 -4.522 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.226 -4.308 1.295 1.00 0.00 H new ATOM 208 N THR A 17 0.419 -7.941 1.430 1.00 0.00 N ATOM 209 CA THR A 17 1.543 -8.671 2.002 1.00 0.00 C ATOM 210 C THR A 17 2.870 -8.151 1.459 1.00 0.00 C ATOM 211 O THR A 17 3.716 -7.674 2.215 1.00 0.00 O ATOM 212 CB THR A 17 1.439 -10.180 1.711 1.00 0.00 C ATOM 213 OG1 THR A 17 0.216 -10.698 2.247 1.00 0.00 O ATOM 214 CG2 THR A 17 2.619 -10.930 2.311 1.00 0.00 C ATOM 0 H THR A 17 0.243 -8.141 0.445 1.00 0.00 H new ATOM 0 HA THR A 17 1.507 -8.513 3.080 1.00 0.00 H new ATOM 0 HB THR A 17 1.451 -10.321 0.630 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.156 -11.657 2.057 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.523 -11.994 2.092 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.547 -10.553 1.880 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.634 -10.781 3.391 1.00 0.00 H new ATOM 222 N SER A 18 3.045 -8.247 0.145 1.00 0.00 N ATOM 223 CA SER A 18 4.271 -7.790 -0.498 1.00 0.00 C ATOM 224 C SER A 18 4.821 -6.551 0.201 1.00 0.00 C ATOM 225 O SER A 18 6.018 -6.459 0.477 1.00 0.00 O ATOM 226 CB SER A 18 4.013 -7.483 -1.975 1.00 0.00 C ATOM 227 OG SER A 18 4.222 -8.631 -2.779 1.00 0.00 O ATOM 0 H SER A 18 2.353 -8.637 -0.495 1.00 0.00 H new ATOM 0 HA SER A 18 5.011 -8.587 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.991 -7.127 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.673 -6.680 -2.303 1.00 0.00 H new ATOM 0 HG SER A 18 4.049 -8.409 -3.718 1.00 0.00 H new ATOM 233 N LEU A 19 3.939 -5.599 0.486 1.00 0.00 N ATOM 234 CA LEU A 19 4.336 -4.364 1.154 1.00 0.00 C ATOM 235 C LEU A 19 5.335 -4.645 2.271 1.00 0.00 C ATOM 236 O LEU A 19 5.172 -5.594 3.037 1.00 0.00 O ATOM 237 CB LEU A 19 3.107 -3.651 1.721 1.00 0.00 C ATOM 238 CG LEU A 19 3.385 -2.435 2.606 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.467 -1.171 1.765 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.312 -2.298 3.676 1.00 0.00 C ATOM 0 H LEU A 19 2.945 -5.658 0.265 1.00 0.00 H new ATOM 0 HA LEU A 19 4.816 -3.720 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.480 -3.333 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.528 -4.371 2.299 1.00 0.00 H new ATOM 0 HG LEU A 19 4.346 -2.581 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.665 -0.316 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.272 -1.270 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.522 -1.020 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.526 -1.428 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.338 -2.175 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.302 -3.193 4.298 1.00 0.00 H new ATOM 252 N GLN A 20 6.368 -3.813 2.357 1.00 0.00 N ATOM 253 CA GLN A 20 7.393 -3.972 3.382 1.00 0.00 C ATOM 254 C GLN A 20 7.269 -2.889 4.448 1.00 0.00 C ATOM 255 O GLN A 20 7.942 -1.861 4.382 1.00 0.00 O ATOM 256 CB GLN A 20 8.786 -3.927 2.751 1.00 0.00 C ATOM 257 CG GLN A 20 9.887 -4.431 3.670 1.00 0.00 C ATOM 258 CD GLN A 20 11.072 -4.991 2.909 1.00 0.00 C ATOM 259 OE1 GLN A 20 11.234 -6.206 2.796 1.00 0.00 O ATOM 260 NE2 GLN A 20 11.909 -4.106 2.382 1.00 0.00 N ATOM 0 H GLN A 20 6.517 -3.023 1.730 1.00 0.00 H new ATOM 0 HA GLN A 20 7.249 -4.942 3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.782 -4.525 1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.010 -2.901 2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.224 -3.615 4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.483 -5.203 4.325 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.736 -3.108 2.500 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.725 -4.424 1.859 1.00 0.00 H new ATOM 269 N GLU A 21 6.406 -3.128 5.430 1.00 0.00 N ATOM 270 CA GLU A 21 6.194 -2.172 6.510 1.00 0.00 C ATOM 271 C GLU A 21 7.501 -1.482 6.890 1.00 0.00 C ATOM 272 O GLU A 21 7.565 -0.255 6.985 1.00 0.00 O ATOM 273 CB GLU A 21 5.601 -2.873 7.734 1.00 0.00 C ATOM 274 CG GLU A 21 4.084 -2.966 7.706 1.00 0.00 C ATOM 275 CD GLU A 21 3.561 -4.183 8.444 1.00 0.00 C ATOM 276 OE1 GLU A 21 3.432 -4.114 9.684 1.00 0.00 O ATOM 277 OE2 GLU A 21 3.281 -5.204 7.782 1.00 0.00 O ATOM 0 H GLU A 21 5.842 -3.975 5.500 1.00 0.00 H new ATOM 0 HA GLU A 21 5.492 -1.416 6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.017 -3.878 7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.907 -2.338 8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.660 -2.066 8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.745 -3.000 6.671 1.00 0.00 H new ATOM 284 N THR A 22 8.543 -2.278 7.107 1.00 0.00 N ATOM 285 CA THR A 22 9.848 -1.746 7.478 1.00 0.00 C ATOM 286 C THR A 22 10.950 -2.336 6.605 1.00 0.00 C ATOM 287 O THR A 22 11.163 -3.547 6.590 1.00 0.00 O ATOM 288 CB THR A 22 10.171 -2.032 8.956 1.00 0.00 C ATOM 289 OG1 THR A 22 10.142 -3.443 9.200 1.00 0.00 O ATOM 290 CG2 THR A 22 9.178 -1.333 9.872 1.00 0.00 C ATOM 0 H THR A 22 8.508 -3.295 7.032 1.00 0.00 H new ATOM 0 HA THR A 22 9.805 -0.668 7.325 1.00 0.00 H new ATOM 0 HB THR A 22 11.169 -1.648 9.168 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.615 -3.909 8.479 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.426 -1.550 10.911 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.224 -0.257 9.705 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.171 -1.691 9.658 1.00 0.00 H new ATOM 298 N GLY A 23 11.650 -1.470 5.878 1.00 0.00 N ATOM 299 CA GLY A 23 12.723 -1.924 5.013 1.00 0.00 C ATOM 300 C GLY A 23 12.935 -1.009 3.823 1.00 0.00 C ATOM 301 O GLY A 23 14.056 -0.861 3.335 1.00 0.00 O ATOM 0 H GLY A 23 11.493 -0.462 5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.647 -1.987 5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.499 -2.930 4.658 1.00 0.00 H new ATOM 305 N LEU A 24 11.855 -0.395 3.352 1.00 0.00 N ATOM 306 CA LEU A 24 11.927 0.510 2.209 1.00 0.00 C ATOM 307 C LEU A 24 12.868 1.676 2.496 1.00 0.00 C ATOM 308 O LEU A 24 12.883 2.219 3.601 1.00 0.00 O ATOM 309 CB LEU A 24 10.533 1.037 1.863 1.00 0.00 C ATOM 310 CG LEU A 24 9.420 -0.008 1.788 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.110 0.638 1.361 1.00 0.00 C ATOM 312 CD2 LEU A 24 9.802 -1.127 0.831 1.00 0.00 C ATOM 0 H LEU A 24 10.920 -0.507 3.743 1.00 0.00 H new ATOM 0 HA LEU A 24 12.319 -0.048 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.254 1.783 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.588 1.549 0.902 1.00 0.00 H new ATOM 0 HG LEU A 24 9.283 -0.438 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.329 -0.121 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.829 1.403 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.233 1.095 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.998 -1.862 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.967 -0.714 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.716 -1.608 1.180 1.00 0.00 H new ATOM 324 N LYS A 25 13.651 2.057 1.493 1.00 0.00 N ATOM 325 CA LYS A 25 14.593 3.161 1.634 1.00 0.00 C ATOM 326 C LYS A 25 14.143 4.368 0.818 1.00 0.00 C ATOM 327 O LYS A 25 13.146 4.307 0.099 1.00 0.00 O ATOM 328 CB LYS A 25 15.992 2.725 1.191 1.00 0.00 C ATOM 329 CG LYS A 25 16.476 1.455 1.869 1.00 0.00 C ATOM 330 CD LYS A 25 17.601 0.799 1.086 1.00 0.00 C ATOM 331 CE LYS A 25 17.864 -0.619 1.570 1.00 0.00 C ATOM 332 NZ LYS A 25 16.768 -1.550 1.181 1.00 0.00 N ATOM 0 H LYS A 25 13.652 1.617 0.573 1.00 0.00 H new ATOM 0 HA LYS A 25 14.624 3.447 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.991 2.573 0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.697 3.530 1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.820 1.688 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.646 0.756 1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.346 0.781 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.510 1.393 1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.807 -0.975 1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.972 -0.618 2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.089 -2.532 1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.939 -1.383 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.509 -1.386 0.187 1.00 0.00 H new ATOM 346 N VAL A 26 14.886 5.465 0.932 1.00 0.00 N ATOM 347 CA VAL A 26 14.565 6.685 0.203 1.00 0.00 C ATOM 348 C VAL A 26 14.897 6.544 -1.279 1.00 0.00 C ATOM 349 O VAL A 26 15.837 5.843 -1.650 1.00 0.00 O ATOM 350 CB VAL A 26 15.324 7.897 0.774 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.742 7.946 0.226 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.579 9.187 0.464 1.00 0.00 C ATOM 0 H VAL A 26 15.715 5.533 1.523 1.00 0.00 H new ATOM 0 HA VAL A 26 13.494 6.849 0.319 1.00 0.00 H new ATOM 0 HB VAL A 26 15.382 7.789 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.263 8.809 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.271 7.035 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.710 8.029 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.130 10.033 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.487 9.304 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.585 9.150 0.910 1.00 0.00 H new ATOM 362 N ASN A 27 14.118 7.215 -2.121 1.00 0.00 N ATOM 363 CA ASN A 27 14.330 7.164 -3.563 1.00 0.00 C ATOM 364 C ASN A 27 14.452 5.722 -4.044 1.00 0.00 C ATOM 365 O ASN A 27 15.364 5.385 -4.798 1.00 0.00 O ATOM 366 CB ASN A 27 15.587 7.949 -3.943 1.00 0.00 C ATOM 367 CG ASN A 27 15.543 9.384 -3.455 1.00 0.00 C ATOM 368 OD1 ASN A 27 14.614 9.784 -2.753 1.00 0.00 O ATOM 369 ND2 ASN A 27 16.550 10.166 -3.826 1.00 0.00 N ATOM 0 H ASN A 27 13.335 7.800 -1.830 1.00 0.00 H new ATOM 0 HA ASN A 27 13.466 7.618 -4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.462 7.453 -3.524 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.704 7.940 -5.027 1.00 0.00 H new ATOM 0 HD21 ASN A 27 16.575 11.141 -3.528 1.00 0.00 H new ATOM 0 HD22 ASN A 27 17.299 9.791 -4.409 1.00 0.00 H new ATOM 376 N GLN A 28 13.526 4.876 -3.603 1.00 0.00 N ATOM 377 CA GLN A 28 13.530 3.470 -3.989 1.00 0.00 C ATOM 378 C GLN A 28 12.162 3.045 -4.512 1.00 0.00 C ATOM 379 O GLN A 28 11.121 3.412 -3.967 1.00 0.00 O ATOM 380 CB GLN A 28 13.930 2.594 -2.800 1.00 0.00 C ATOM 381 CG GLN A 28 15.432 2.403 -2.663 1.00 0.00 C ATOM 382 CD GLN A 28 16.031 1.637 -3.825 1.00 0.00 C ATOM 383 OE1 GLN A 28 15.612 0.520 -4.130 1.00 0.00 O ATOM 384 NE2 GLN A 28 17.018 2.234 -4.483 1.00 0.00 N ATOM 0 H GLN A 28 12.764 5.140 -2.978 1.00 0.00 H new ATOM 0 HA GLN A 28 14.260 3.341 -4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.544 3.041 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.456 1.618 -2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.913 3.378 -2.589 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.644 1.872 -1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.335 3.160 -4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.459 1.766 -5.275 1.00 0.00 H new ATOM 393 N PRO A 29 12.162 2.253 -5.595 1.00 0.00 N ATOM 394 CA PRO A 29 10.929 1.761 -6.216 1.00 0.00 C ATOM 395 C PRO A 29 10.211 0.736 -5.345 1.00 0.00 C ATOM 396 O PRO A 29 10.568 -0.442 -5.334 1.00 0.00 O ATOM 397 CB PRO A 29 11.418 1.112 -7.512 1.00 0.00 C ATOM 398 CG PRO A 29 12.832 0.731 -7.235 1.00 0.00 C ATOM 399 CD PRO A 29 13.366 1.777 -6.297 1.00 0.00 C ATOM 0 HA PRO A 29 10.204 2.560 -6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.816 0.240 -7.770 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.352 1.805 -8.351 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.888 -0.261 -6.786 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.415 0.698 -8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.097 1.360 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.862 2.584 -6.836 1.00 0.00 H new ATOM 407 N ALA A 30 9.197 1.191 -4.616 1.00 0.00 N ATOM 408 CA ALA A 30 8.428 0.312 -3.744 1.00 0.00 C ATOM 409 C ALA A 30 7.089 -0.055 -4.377 1.00 0.00 C ATOM 410 O ALA A 30 6.260 0.814 -4.645 1.00 0.00 O ATOM 411 CB ALA A 30 8.210 0.971 -2.390 1.00 0.00 C ATOM 0 H ALA A 30 8.889 2.163 -4.612 1.00 0.00 H new ATOM 0 HA ALA A 30 8.997 -0.607 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.634 0.303 -1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.175 1.177 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.665 1.905 -2.524 1.00 0.00 H new ATOM 417 N SER A 31 6.886 -1.347 -4.613 1.00 0.00 N ATOM 418 CA SER A 31 5.650 -1.828 -5.219 1.00 0.00 C ATOM 419 C SER A 31 5.166 -3.099 -4.528 1.00 0.00 C ATOM 420 O SER A 31 5.966 -3.899 -4.042 1.00 0.00 O ATOM 421 CB SER A 31 5.857 -2.092 -6.711 1.00 0.00 C ATOM 422 OG SER A 31 6.951 -2.967 -6.927 1.00 0.00 O ATOM 0 H SER A 31 7.561 -2.079 -4.394 1.00 0.00 H new ATOM 0 HA SER A 31 4.890 -1.056 -5.097 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.951 -2.525 -7.136 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.033 -1.149 -7.229 1.00 0.00 H new ATOM 0 HG SER A 31 7.062 -3.121 -7.888 1.00 0.00 H new ATOM 428 N PHE A 32 3.850 -3.279 -4.489 1.00 0.00 N ATOM 429 CA PHE A 32 3.257 -4.452 -3.857 1.00 0.00 C ATOM 430 C PHE A 32 1.934 -4.819 -4.525 1.00 0.00 C ATOM 431 O PHE A 32 1.479 -4.137 -5.442 1.00 0.00 O ATOM 432 CB PHE A 32 3.034 -4.197 -2.365 1.00 0.00 C ATOM 433 CG PHE A 32 2.689 -2.770 -2.046 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.640 -1.770 -2.164 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.412 -2.429 -1.629 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.325 -0.457 -1.871 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.091 -1.118 -1.334 1.00 0.00 C ATOM 438 CZ PHE A 32 2.049 -0.130 -1.456 1.00 0.00 C ATOM 0 H PHE A 32 3.174 -2.628 -4.888 1.00 0.00 H new ATOM 0 HA PHE A 32 3.948 -5.286 -3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.232 -4.844 -2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.935 -4.476 -1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.639 -2.019 -2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.659 -3.197 -1.534 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.076 0.313 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.093 -0.866 -1.008 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.801 0.896 -1.227 1.00 0.00 H new ATOM 448 N ALA A 33 1.324 -5.903 -4.057 1.00 0.00 N ATOM 449 CA ALA A 33 0.053 -6.361 -4.607 1.00 0.00 C ATOM 450 C ALA A 33 -1.055 -6.287 -3.562 1.00 0.00 C ATOM 451 O ALA A 33 -0.816 -6.493 -2.372 1.00 0.00 O ATOM 452 CB ALA A 33 0.188 -7.781 -5.135 1.00 0.00 C ATOM 0 H ALA A 33 1.689 -6.480 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.216 -5.702 -5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.768 -8.110 -5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.945 -7.807 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.484 -8.445 -4.323 1.00 0.00 H new ATOM 458 N VAL A 34 -2.269 -5.990 -4.015 1.00 0.00 N ATOM 459 CA VAL A 34 -3.416 -5.889 -3.119 1.00 0.00 C ATOM 460 C VAL A 34 -4.508 -6.877 -3.511 1.00 0.00 C ATOM 461 O VAL A 34 -5.254 -6.648 -4.462 1.00 0.00 O ATOM 462 CB VAL A 34 -4.003 -4.465 -3.119 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.190 -4.377 -2.171 1.00 0.00 C ATOM 464 CG2 VAL A 34 -2.935 -3.448 -2.744 1.00 0.00 C ATOM 0 H VAL A 34 -2.484 -5.815 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.058 -6.127 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.354 -4.235 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.592 -3.364 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.962 -5.078 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.868 -4.626 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.368 -2.448 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.552 -3.673 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.119 -3.494 -3.465 1.00 0.00 H new ATOM 474 N GLN A 35 -4.596 -7.977 -2.770 1.00 0.00 N ATOM 475 CA GLN A 35 -5.598 -9.002 -3.040 1.00 0.00 C ATOM 476 C GLN A 35 -6.993 -8.508 -2.674 1.00 0.00 C ATOM 477 O GLN A 35 -7.156 -7.686 -1.771 1.00 0.00 O ATOM 478 CB GLN A 35 -5.275 -10.279 -2.263 1.00 0.00 C ATOM 479 CG GLN A 35 -6.097 -11.481 -2.699 1.00 0.00 C ATOM 480 CD GLN A 35 -5.525 -12.166 -3.924 1.00 0.00 C ATOM 481 OE1 GLN A 35 -4.583 -12.952 -3.827 1.00 0.00 O ATOM 482 NE2 GLN A 35 -6.093 -11.870 -5.087 1.00 0.00 N ATOM 0 H GLN A 35 -3.986 -8.181 -1.978 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.579 -9.221 -4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.217 -10.510 -2.384 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.443 -10.100 -1.201 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.150 -12.197 -1.879 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.118 -11.161 -2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.872 -11.213 -5.121 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.750 -12.300 -5.946 1.00 0.00 H new ATOM 491 N LEU A 36 -7.999 -9.014 -3.380 1.00 0.00 N ATOM 492 CA LEU A 36 -9.382 -8.625 -3.129 1.00 0.00 C ATOM 493 C LEU A 36 -10.056 -9.599 -2.168 1.00 0.00 C ATOM 494 O LEU A 36 -10.874 -9.201 -1.338 1.00 0.00 O ATOM 495 CB LEU A 36 -10.162 -8.566 -4.443 1.00 0.00 C ATOM 496 CG LEU A 36 -9.502 -7.787 -5.581 1.00 0.00 C ATOM 497 CD1 LEU A 36 -10.266 -7.988 -6.880 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.415 -6.307 -5.235 1.00 0.00 C ATOM 0 H LEU A 36 -7.882 -9.695 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.378 -7.636 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.339 -9.586 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.137 -8.122 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.490 -8.168 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.781 -7.426 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.275 -9.047 -7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.290 -7.635 -6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.943 -5.768 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.418 -5.912 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.822 -6.179 -4.329 1.00 0.00 H new ATOM 510 N ASN A 37 -9.706 -10.875 -2.284 1.00 0.00 N ATOM 511 CA ASN A 37 -10.276 -11.906 -1.424 1.00 0.00 C ATOM 512 C ASN A 37 -11.795 -11.949 -1.560 1.00 0.00 C ATOM 513 O ASN A 37 -12.507 -12.231 -0.597 1.00 0.00 O ATOM 514 CB ASN A 37 -9.890 -11.653 0.035 1.00 0.00 C ATOM 515 CG ASN A 37 -8.447 -12.021 0.323 1.00 0.00 C ATOM 516 OD1 ASN A 37 -8.085 -13.198 0.331 1.00 0.00 O ATOM 517 ND2 ASN A 37 -7.616 -11.014 0.562 1.00 0.00 N ATOM 0 H ASN A 37 -9.030 -11.221 -2.965 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.874 -12.869 -1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.048 -10.601 0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.546 -12.229 0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.633 -11.200 0.763 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.960 -10.054 0.545 1.00 0.00 H new ATOM 524 N GLY A 38 -12.284 -11.666 -2.764 1.00 0.00 N ATOM 525 CA GLY A 38 -13.715 -11.678 -3.004 1.00 0.00 C ATOM 526 C GLY A 38 -14.320 -10.289 -2.973 1.00 0.00 C ATOM 527 O GLY A 38 -15.404 -10.088 -2.426 1.00 0.00 O ATOM 0 H GLY A 38 -11.715 -11.429 -3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.914 -12.136 -3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.201 -12.299 -2.252 1.00 0.00 H new ATOM 531 N ALA A 39 -13.617 -9.326 -3.561 1.00 0.00 N ATOM 532 CA ALA A 39 -14.092 -7.948 -3.599 1.00 0.00 C ATOM 533 C ALA A 39 -14.044 -7.390 -5.018 1.00 0.00 C ATOM 534 O ALA A 39 -13.109 -7.662 -5.771 1.00 0.00 O ATOM 535 CB ALA A 39 -13.267 -7.080 -2.661 1.00 0.00 C ATOM 0 H ALA A 39 -12.717 -9.475 -4.017 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.130 -7.938 -3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.632 -6.054 -2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.355 -7.459 -1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.221 -7.105 -2.968 1.00 0.00 H new ATOM 541 N ARG A 40 -15.058 -6.609 -5.376 1.00 0.00 N ATOM 542 CA ARG A 40 -15.132 -6.015 -6.705 1.00 0.00 C ATOM 543 C ARG A 40 -15.260 -4.497 -6.615 1.00 0.00 C ATOM 544 O ARG A 40 -16.209 -3.977 -6.031 1.00 0.00 O ATOM 545 CB ARG A 40 -16.318 -6.592 -7.480 1.00 0.00 C ATOM 546 CG ARG A 40 -16.040 -7.956 -8.091 1.00 0.00 C ATOM 547 CD ARG A 40 -15.039 -7.861 -9.232 1.00 0.00 C ATOM 548 NE ARG A 40 -15.204 -8.945 -10.196 1.00 0.00 N ATOM 549 CZ ARG A 40 -14.809 -8.869 -11.462 1.00 0.00 C ATOM 550 NH1 ARG A 40 -14.228 -7.766 -11.914 1.00 0.00 N ATOM 551 NH2 ARG A 40 -14.994 -9.898 -12.279 1.00 0.00 N ATOM 0 H ARG A 40 -15.839 -6.373 -4.764 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.210 -6.255 -7.234 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.175 -6.671 -6.811 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.596 -5.898 -8.273 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.656 -8.628 -7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.971 -8.389 -8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -15.157 -6.904 -9.739 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.027 -7.885 -8.829 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.647 -9.808 -9.880 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.083 -6.973 -11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.926 -7.711 -12.887 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.440 -10.748 -11.935 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.690 -9.839 -13.251 1.00 0.00 H new ATOM 565 N GLY A 41 -14.295 -3.791 -7.199 1.00 0.00 N ATOM 566 CA GLY A 41 -14.318 -2.341 -7.173 1.00 0.00 C ATOM 567 C GLY A 41 -13.093 -1.730 -7.823 1.00 0.00 C ATOM 568 O GLY A 41 -12.484 -2.333 -8.707 1.00 0.00 O ATOM 0 H GLY A 41 -13.499 -4.198 -7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.212 -1.986 -7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.385 -2.000 -6.140 1.00 0.00 H new ATOM 572 N VAL A 42 -12.730 -0.528 -7.386 1.00 0.00 N ATOM 573 CA VAL A 42 -11.570 0.166 -7.932 1.00 0.00 C ATOM 574 C VAL A 42 -10.563 0.500 -6.836 1.00 0.00 C ATOM 575 O VAL A 42 -10.897 1.165 -5.855 1.00 0.00 O ATOM 576 CB VAL A 42 -11.979 1.465 -8.651 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.768 2.124 -9.294 1.00 0.00 C ATOM 578 CG2 VAL A 42 -13.057 1.183 -9.687 1.00 0.00 C ATOM 0 H VAL A 42 -13.223 -0.015 -6.655 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.108 -0.509 -8.653 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.388 2.155 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.077 3.040 -9.797 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.033 2.362 -8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.326 1.442 -10.021 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.334 2.112 -10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.677 0.475 -10.424 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.933 0.760 -9.195 1.00 0.00 H new ATOM 588 N ILE A 43 -9.331 0.034 -7.011 1.00 0.00 N ATOM 589 CA ILE A 43 -8.276 0.284 -6.037 1.00 0.00 C ATOM 590 C ILE A 43 -7.501 1.552 -6.381 1.00 0.00 C ATOM 591 O ILE A 43 -6.972 1.689 -7.484 1.00 0.00 O ATOM 592 CB ILE A 43 -7.293 -0.898 -5.956 1.00 0.00 C ATOM 593 CG1 ILE A 43 -8.005 -2.147 -5.433 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.111 -0.544 -5.065 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.317 -2.090 -3.953 1.00 0.00 C ATOM 0 H ILE A 43 -9.039 -0.518 -7.817 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.762 0.408 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.918 -1.109 -6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.934 -2.285 -5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.383 -3.020 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.425 -1.390 -5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.592 0.322 -5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.468 -0.310 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.821 -3.008 -3.652 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.390 -1.984 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.965 -1.237 -3.750 1.00 0.00 H new ATOM 607 N ASP A 44 -7.436 2.476 -5.428 1.00 0.00 N ATOM 608 CA ASP A 44 -6.722 3.732 -5.628 1.00 0.00 C ATOM 609 C ASP A 44 -5.482 3.799 -4.743 1.00 0.00 C ATOM 610 O ASP A 44 -5.533 3.466 -3.559 1.00 0.00 O ATOM 611 CB ASP A 44 -7.641 4.918 -5.331 1.00 0.00 C ATOM 612 CG ASP A 44 -7.034 6.241 -5.754 1.00 0.00 C ATOM 613 OD1 ASP A 44 -6.069 6.687 -5.099 1.00 0.00 O ATOM 614 OD2 ASP A 44 -7.525 6.831 -6.739 1.00 0.00 O ATOM 0 H ASP A 44 -7.869 2.379 -4.510 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.405 3.780 -6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.591 4.776 -5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.859 4.946 -4.263 1.00 0.00 H new ATOM 619 N ALA A 45 -4.368 4.232 -5.325 1.00 0.00 N ATOM 620 CA ALA A 45 -3.115 4.344 -4.589 1.00 0.00 C ATOM 621 C ALA A 45 -2.608 5.782 -4.585 1.00 0.00 C ATOM 622 O ALA A 45 -2.340 6.359 -5.639 1.00 0.00 O ATOM 623 CB ALA A 45 -2.068 3.414 -5.185 1.00 0.00 C ATOM 0 H ALA A 45 -4.308 4.511 -6.304 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.301 4.049 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.137 3.508 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.422 2.385 -5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.894 3.682 -6.227 1.00 0.00 H new ATOM 629 N ARG A 46 -2.478 6.356 -3.393 1.00 0.00 N ATOM 630 CA ARG A 46 -2.005 7.727 -3.253 1.00 0.00 C ATOM 631 C ARG A 46 -1.096 7.867 -2.035 1.00 0.00 C ATOM 632 O ARG A 46 -1.494 7.555 -0.912 1.00 0.00 O ATOM 633 CB ARG A 46 -3.189 8.688 -3.133 1.00 0.00 C ATOM 634 CG ARG A 46 -3.879 8.973 -4.456 1.00 0.00 C ATOM 635 CD ARG A 46 -3.245 10.156 -5.172 1.00 0.00 C ATOM 636 NE ARG A 46 -3.772 11.432 -4.694 1.00 0.00 N ATOM 637 CZ ARG A 46 -4.980 11.890 -5.005 1.00 0.00 C ATOM 638 NH1 ARG A 46 -5.781 11.180 -5.788 1.00 0.00 N ATOM 639 NH2 ARG A 46 -5.389 13.060 -4.531 1.00 0.00 N ATOM 0 H ARG A 46 -2.694 5.892 -2.511 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.430 7.979 -4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.916 8.270 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.841 9.628 -2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.826 8.090 -5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.935 9.176 -4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.165 10.132 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.423 10.069 -6.244 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.181 12.002 -4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.470 10.280 -6.153 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.708 11.534 -6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.776 13.608 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.316 13.411 -4.770 1.00 0.00 H new ATOM 653 N VAL A 47 0.126 8.337 -2.265 1.00 0.00 N ATOM 654 CA VAL A 47 1.090 8.518 -1.187 1.00 0.00 C ATOM 655 C VAL A 47 1.123 9.968 -0.717 1.00 0.00 C ATOM 656 O VAL A 47 0.867 10.890 -1.493 1.00 0.00 O ATOM 657 CB VAL A 47 2.506 8.100 -1.624 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.652 6.586 -1.587 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.816 8.639 -3.013 1.00 0.00 C ATOM 0 H VAL A 47 0.471 8.599 -3.188 1.00 0.00 H new ATOM 0 HA VAL A 47 0.768 7.879 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 47 3.224 8.528 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.659 6.310 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.475 6.228 -0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.926 6.134 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.821 8.334 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.094 8.242 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.756 9.727 -3.003 1.00 0.00 H new ATOM 669 N HIS A 48 1.440 10.164 0.559 1.00 0.00 N ATOM 670 CA HIS A 48 1.508 11.503 1.133 1.00 0.00 C ATOM 671 C HIS A 48 2.942 11.859 1.516 1.00 0.00 C ATOM 672 O HIS A 48 3.617 11.098 2.210 1.00 0.00 O ATOM 673 CB HIS A 48 0.601 11.602 2.360 1.00 0.00 C ATOM 674 CG HIS A 48 -0.859 11.628 2.025 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.671 12.712 2.284 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.651 10.695 1.447 1.00 0.00 C ATOM 677 CE1 HIS A 48 -2.900 12.444 1.881 1.00 0.00 C ATOM 678 NE2 HIS A 48 -2.915 11.226 1.369 1.00 0.00 N ATOM 0 H HIS A 48 1.654 9.413 1.215 1.00 0.00 H new ATOM 0 HA HIS A 48 1.166 12.212 0.379 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.799 10.756 3.018 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.854 12.504 2.917 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.346 9.715 1.110 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.749 13.108 1.957 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.732 10.757 0.979 1.00 0.00 H new ATOM 687 N THR A 49 3.401 13.019 1.059 1.00 0.00 N ATOM 688 CA THR A 49 4.754 13.474 1.352 1.00 0.00 C ATOM 689 C THR A 49 4.789 14.316 2.622 1.00 0.00 C ATOM 690 O THR A 49 3.850 15.049 2.935 1.00 0.00 O ATOM 691 CB THR A 49 5.334 14.299 0.187 1.00 0.00 C ATOM 692 OG1 THR A 49 4.674 15.567 0.108 1.00 0.00 O ATOM 693 CG2 THR A 49 5.177 13.557 -1.132 1.00 0.00 C ATOM 0 H THR A 49 2.855 13.661 0.484 1.00 0.00 H new ATOM 0 HA THR A 49 5.363 12.581 1.495 1.00 0.00 H new ATOM 0 HB THR A 49 6.396 14.454 0.375 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.717 15.428 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.594 14.159 -1.940 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.705 12.605 -1.079 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.119 13.375 -1.323 1.00 0.00 H new ATOM 701 N PRO A 50 5.896 14.212 3.372 1.00 0.00 N ATOM 702 CA PRO A 50 6.079 14.959 4.620 1.00 0.00 C ATOM 703 C PRO A 50 6.264 16.453 4.380 1.00 0.00 C ATOM 704 O PRO A 50 6.371 17.234 5.325 1.00 0.00 O ATOM 705 CB PRO A 50 7.353 14.351 5.213 1.00 0.00 C ATOM 706 CG PRO A 50 8.098 13.814 4.040 1.00 0.00 C ATOM 707 CD PRO A 50 7.054 13.358 3.059 1.00 0.00 C ATOM 0 HA PRO A 50 5.209 14.882 5.272 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.939 15.101 5.745 1.00 0.00 H new ATOM 0 HB3 PRO A 50 7.119 13.563 5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.738 14.579 3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.745 12.987 4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.385 13.491 2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.819 12.301 3.184 1.00 0.00 H new ATOM 715 N SER A 51 6.300 16.844 3.110 1.00 0.00 N ATOM 716 CA SER A 51 6.475 18.245 2.746 1.00 0.00 C ATOM 717 C SER A 51 5.133 18.894 2.423 1.00 0.00 C ATOM 718 O SER A 51 5.076 20.037 1.970 1.00 0.00 O ATOM 719 CB SER A 51 7.416 18.368 1.547 1.00 0.00 C ATOM 720 OG SER A 51 7.189 17.329 0.611 1.00 0.00 O ATOM 0 H SER A 51 6.210 16.210 2.316 1.00 0.00 H new ATOM 0 HA SER A 51 6.914 18.764 3.598 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.270 19.334 1.064 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.451 18.335 1.888 1.00 0.00 H new ATOM 0 HG SER A 51 7.802 17.432 -0.147 1.00 0.00 H new ATOM 726 N GLY A 52 4.053 18.156 2.659 1.00 0.00 N ATOM 727 CA GLY A 52 2.725 18.675 2.388 1.00 0.00 C ATOM 728 C GLY A 52 2.366 18.607 0.917 1.00 0.00 C ATOM 729 O GLY A 52 1.596 19.428 0.420 1.00 0.00 O ATOM 0 H GLY A 52 4.074 17.207 3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.993 18.110 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.667 19.710 2.726 1.00 0.00 H new ATOM 733 N ALA A 53 2.927 17.626 0.217 1.00 0.00 N ATOM 734 CA ALA A 53 2.661 17.455 -1.206 1.00 0.00 C ATOM 735 C ALA A 53 2.001 16.108 -1.483 1.00 0.00 C ATOM 736 O ALA A 53 2.543 15.058 -1.138 1.00 0.00 O ATOM 737 CB ALA A 53 3.950 17.587 -2.004 1.00 0.00 C ATOM 0 H ALA A 53 3.568 16.938 0.612 1.00 0.00 H new ATOM 0 HA ALA A 53 1.972 18.239 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.736 17.457 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.381 18.575 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.658 16.824 -1.681 1.00 0.00 H new ATOM 743 N VAL A 54 0.829 16.146 -2.108 1.00 0.00 N ATOM 744 CA VAL A 54 0.095 14.928 -2.431 1.00 0.00 C ATOM 745 C VAL A 54 0.611 14.302 -3.722 1.00 0.00 C ATOM 746 O VAL A 54 0.344 14.801 -4.815 1.00 0.00 O ATOM 747 CB VAL A 54 -1.414 15.203 -2.575 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.154 13.932 -2.959 1.00 0.00 C ATOM 749 CG2 VAL A 54 -1.973 15.787 -1.286 1.00 0.00 C ATOM 0 H VAL A 54 0.367 17.007 -2.401 1.00 0.00 H new ATOM 0 HA VAL A 54 0.253 14.235 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.559 15.933 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.218 14.146 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.770 13.561 -3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.005 13.177 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.040 15.975 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.818 15.082 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.462 16.723 -1.059 1.00 0.00 H new ATOM 759 N GLU A 55 1.352 13.207 -3.587 1.00 0.00 N ATOM 760 CA GLU A 55 1.906 12.513 -4.743 1.00 0.00 C ATOM 761 C GLU A 55 0.965 11.408 -5.217 1.00 0.00 C ATOM 762 O GLU A 55 0.070 10.986 -4.486 1.00 0.00 O ATOM 763 CB GLU A 55 3.275 11.920 -4.403 1.00 0.00 C ATOM 764 CG GLU A 55 4.428 12.883 -4.628 1.00 0.00 C ATOM 765 CD GLU A 55 5.780 12.242 -4.383 1.00 0.00 C ATOM 766 OE1 GLU A 55 5.865 10.998 -4.430 1.00 0.00 O ATOM 767 OE2 GLU A 55 6.754 12.987 -4.144 1.00 0.00 O ATOM 0 H GLU A 55 1.582 12.782 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 55 2.022 13.239 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.275 11.603 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.435 11.027 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.388 13.259 -5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.313 13.743 -3.968 1.00 0.00 H new ATOM 774 N GLU A 56 1.176 10.947 -6.446 1.00 0.00 N ATOM 775 CA GLU A 56 0.346 9.893 -7.018 1.00 0.00 C ATOM 776 C GLU A 56 1.162 8.626 -7.257 1.00 0.00 C ATOM 777 O GLU A 56 2.388 8.676 -7.365 1.00 0.00 O ATOM 778 CB GLU A 56 -0.282 10.364 -8.332 1.00 0.00 C ATOM 779 CG GLU A 56 0.620 11.278 -9.144 1.00 0.00 C ATOM 780 CD GLU A 56 0.083 11.540 -10.537 1.00 0.00 C ATOM 781 OE1 GLU A 56 -0.202 10.561 -11.258 1.00 0.00 O ATOM 782 OE2 GLU A 56 -0.052 12.725 -10.907 1.00 0.00 O ATOM 0 H GLU A 56 1.913 11.286 -7.064 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.447 9.664 -6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.540 9.493 -8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.213 10.887 -8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.737 12.226 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.611 10.831 -9.219 1.00 0.00 H new ATOM 789 N CYS A 57 0.475 7.493 -7.337 1.00 0.00 N ATOM 790 CA CYS A 57 1.135 6.212 -7.562 1.00 0.00 C ATOM 791 C CYS A 57 0.852 5.693 -8.968 1.00 0.00 C ATOM 792 O CYS A 57 0.219 6.373 -9.775 1.00 0.00 O ATOM 793 CB CYS A 57 0.674 5.188 -6.524 1.00 0.00 C ATOM 794 SG CYS A 57 0.458 5.866 -4.862 1.00 0.00 S ATOM 0 H CYS A 57 -0.540 7.435 -7.249 1.00 0.00 H new ATOM 0 HA CYS A 57 2.210 6.363 -7.460 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.270 4.753 -6.853 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.401 4.377 -6.482 1.00 0.00 H new ATOM 0 HG CYS A 57 1.204 5.208 -4.025 1.00 0.00 H new ATOM 800 N TYR A 58 1.326 4.485 -9.253 1.00 0.00 N ATOM 801 CA TYR A 58 1.127 3.876 -10.563 1.00 0.00 C ATOM 802 C TYR A 58 0.404 2.539 -10.438 1.00 0.00 C ATOM 803 O TYR A 58 0.998 1.533 -10.050 1.00 0.00 O ATOM 804 CB TYR A 58 2.471 3.678 -11.266 1.00 0.00 C ATOM 805 CG TYR A 58 2.342 3.258 -12.713 1.00 0.00 C ATOM 806 CD1 TYR A 58 2.060 1.941 -13.051 1.00 0.00 C ATOM 807 CD2 TYR A 58 2.502 4.179 -13.741 1.00 0.00 C ATOM 808 CE1 TYR A 58 1.942 1.552 -14.372 1.00 0.00 C ATOM 809 CE2 TYR A 58 2.384 3.799 -15.064 1.00 0.00 C ATOM 810 CZ TYR A 58 2.104 2.485 -15.374 1.00 0.00 C ATOM 811 OH TYR A 58 1.987 2.103 -16.691 1.00 0.00 O ATOM 0 H TYR A 58 1.850 3.909 -8.595 1.00 0.00 H new ATOM 0 HA TYR A 58 0.509 4.548 -11.158 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.038 4.607 -11.215 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.046 2.924 -10.728 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.931 1.208 -12.268 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.722 5.209 -13.502 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.724 0.523 -14.618 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.510 4.527 -15.851 1.00 0.00 H new ATOM 0 HH TYR A 58 2.128 2.880 -17.271 1.00 0.00 H new ATOM 821 N VAL A 59 -0.883 2.536 -10.771 1.00 0.00 N ATOM 822 CA VAL A 59 -1.688 1.323 -10.698 1.00 0.00 C ATOM 823 C VAL A 59 -2.422 1.071 -12.011 1.00 0.00 C ATOM 824 O VAL A 59 -3.258 1.872 -12.430 1.00 0.00 O ATOM 825 CB VAL A 59 -2.717 1.400 -9.554 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.320 2.794 -9.471 1.00 0.00 C ATOM 827 CG2 VAL A 59 -3.802 0.351 -9.743 1.00 0.00 C ATOM 0 H VAL A 59 -1.390 3.360 -11.094 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.002 0.499 -10.504 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.205 1.195 -8.614 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.044 2.829 -8.657 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.530 3.522 -9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.818 3.031 -10.411 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.520 0.419 -8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.313 0.522 -10.691 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.352 -0.642 -9.748 1.00 0.00 H new ATOM 917 N LYS A 66 -6.482 -8.390 -8.986 1.00 0.00 N ATOM 918 CA LYS A 66 -5.367 -7.840 -8.224 1.00 0.00 C ATOM 919 C LYS A 66 -4.988 -6.454 -8.738 1.00 0.00 C ATOM 920 O LYS A 66 -5.250 -6.117 -9.893 1.00 0.00 O ATOM 921 CB LYS A 66 -4.158 -8.774 -8.303 1.00 0.00 C ATOM 922 CG LYS A 66 -4.307 -10.034 -7.469 1.00 0.00 C ATOM 923 CD LYS A 66 -3.152 -10.995 -7.700 1.00 0.00 C ATOM 924 CE LYS A 66 -1.962 -10.659 -6.815 1.00 0.00 C ATOM 925 NZ LYS A 66 -2.243 -10.936 -5.379 1.00 0.00 N ATOM 0 HA LYS A 66 -5.680 -7.749 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.994 -9.054 -9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.270 -8.234 -7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.355 -9.769 -6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.247 -10.527 -7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.480 -12.015 -7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.850 -10.958 -8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.097 -11.240 -7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.703 -9.607 -6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.346 -11.058 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.770 -10.139 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.809 -11.804 -5.297 1.00 0.00 H new ATOM 939 N HIS A 67 -4.369 -5.656 -7.873 1.00 0.00 N ATOM 940 CA HIS A 67 -3.952 -4.308 -8.241 1.00 0.00 C ATOM 941 C HIS A 67 -2.510 -4.051 -7.816 1.00 0.00 C ATOM 942 O HIS A 67 -2.172 -4.149 -6.636 1.00 0.00 O ATOM 943 CB HIS A 67 -4.877 -3.273 -7.601 1.00 0.00 C ATOM 944 CG HIS A 67 -6.159 -3.071 -8.350 1.00 0.00 C ATOM 945 ND1 HIS A 67 -7.373 -3.649 -8.198 1.00 0.00 N flip ATOM 946 CD2 HIS A 67 -6.287 -2.184 -9.398 1.00 0.00 C flip ATOM 947 CE1 HIS A 67 -8.204 -3.105 -9.146 1.00 0.00 C flip ATOM 948 NE2 HIS A 67 -7.524 -2.223 -9.857 1.00 0.00 N flip ATOM 0 H HIS A 67 -4.145 -5.920 -6.913 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.014 -4.218 -9.326 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.106 -3.584 -6.582 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.351 -2.321 -7.533 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.498 -1.555 -9.783 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.245 -3.357 -9.288 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.892 -1.667 -10.629 1.00 0.00 H new ATOM 957 N THR A 68 -1.662 -3.721 -8.785 1.00 0.00 N ATOM 958 CA THR A 68 -0.256 -3.451 -8.512 1.00 0.00 C ATOM 959 C THR A 68 -0.012 -1.961 -8.305 1.00 0.00 C ATOM 960 O THR A 68 -0.565 -1.126 -9.021 1.00 0.00 O ATOM 961 CB THR A 68 0.645 -3.953 -9.656 1.00 0.00 C ATOM 962 OG1 THR A 68 0.334 -5.316 -9.963 1.00 0.00 O ATOM 963 CG2 THR A 68 2.114 -3.836 -9.279 1.00 0.00 C ATOM 0 H THR A 68 -1.925 -3.634 -9.767 1.00 0.00 H new ATOM 0 HA THR A 68 -0.003 -3.988 -7.598 1.00 0.00 H new ATOM 0 HB THR A 68 0.460 -3.332 -10.533 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.910 -5.627 -10.692 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.731 -4.196 -10.102 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.355 -2.793 -9.075 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.310 -4.435 -8.390 1.00 0.00 H new ATOM 971 N ILE A 69 0.819 -1.633 -7.321 1.00 0.00 N ATOM 972 CA ILE A 69 1.137 -0.243 -7.021 1.00 0.00 C ATOM 973 C ILE A 69 2.636 0.015 -7.135 1.00 0.00 C ATOM 974 O ILE A 69 3.450 -0.872 -6.877 1.00 0.00 O ATOM 975 CB ILE A 69 0.665 0.151 -5.609 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.598 -0.626 -5.235 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.414 1.649 -5.534 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.661 -0.607 -6.311 1.00 0.00 C ATOM 0 H ILE A 69 1.284 -2.312 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 69 0.609 0.367 -7.754 1.00 0.00 H new ATOM 0 HB ILE A 69 1.449 -0.102 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.328 -1.660 -5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.013 -0.208 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.081 1.912 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.336 2.184 -5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.355 1.926 -6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.527 -1.178 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.959 0.422 -6.510 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.263 -1.052 -7.223 1.00 0.00 H new ATOM 990 N ARG A 70 2.993 1.236 -7.519 1.00 0.00 N ATOM 991 CA ARG A 70 4.394 1.611 -7.666 1.00 0.00 C ATOM 992 C ARG A 70 4.591 3.098 -7.385 1.00 0.00 C ATOM 993 O ARG A 70 3.980 3.949 -8.031 1.00 0.00 O ATOM 994 CB ARG A 70 4.889 1.278 -9.075 1.00 0.00 C ATOM 995 CG ARG A 70 6.401 1.161 -9.177 1.00 0.00 C ATOM 996 CD ARG A 70 6.819 0.422 -10.439 1.00 0.00 C ATOM 997 NE ARG A 70 6.727 -1.027 -10.280 1.00 0.00 N ATOM 998 CZ ARG A 70 7.081 -1.893 -11.222 1.00 0.00 C ATOM 999 NH1 ARG A 70 7.548 -1.460 -12.385 1.00 0.00 N ATOM 1000 NH2 ARG A 70 6.969 -3.197 -11.003 1.00 0.00 N ATOM 0 H ARG A 70 2.332 1.982 -7.734 1.00 0.00 H new ATOM 0 HA ARG A 70 4.974 1.041 -6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.438 0.340 -9.397 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.545 2.050 -9.764 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.845 2.156 -9.173 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.786 0.637 -8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.187 0.736 -11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.843 0.694 -10.696 1.00 0.00 H new ATOM 0 HE ARG A 70 6.371 -1.394 -9.397 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.636 -0.459 -12.558 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.819 -2.128 -13.106 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.611 -3.535 -10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.241 -3.861 -11.728 1.00 0.00 H new ATOM 1014 N PHE A 71 5.448 3.403 -6.416 1.00 0.00 N ATOM 1015 CA PHE A 71 5.724 4.787 -6.048 1.00 0.00 C ATOM 1016 C PHE A 71 7.073 4.904 -5.344 1.00 0.00 C ATOM 1017 O PHE A 71 7.454 4.032 -4.562 1.00 0.00 O ATOM 1018 CB PHE A 71 4.616 5.327 -5.142 1.00 0.00 C ATOM 1019 CG PHE A 71 4.279 4.415 -3.998 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.109 4.334 -2.891 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.132 3.638 -4.028 1.00 0.00 C ATOM 1022 CE1 PHE A 71 4.802 3.496 -1.836 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.819 2.799 -2.976 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.656 2.726 -1.879 1.00 0.00 C ATOM 0 H PHE A 71 5.963 2.711 -5.872 1.00 0.00 H new ATOM 0 HA PHE A 71 5.758 5.380 -6.962 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.921 6.296 -4.746 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.719 5.495 -5.739 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.007 4.933 -2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.475 3.689 -4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.457 3.443 -0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.921 2.201 -3.011 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.415 2.068 -1.057 1.00 0.00 H new ATOM 1034 N ILE A 72 7.791 5.985 -5.629 1.00 0.00 N ATOM 1035 CA ILE A 72 9.096 6.216 -5.024 1.00 0.00 C ATOM 1036 C ILE A 72 9.082 7.464 -4.146 1.00 0.00 C ATOM 1037 O ILE A 72 8.722 8.556 -4.583 1.00 0.00 O ATOM 1038 CB ILE A 72 10.194 6.367 -6.093 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.488 5.016 -6.747 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.457 6.950 -5.477 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.182 5.131 -8.087 1.00 0.00 C ATOM 0 H ILE A 72 7.491 6.715 -6.275 1.00 0.00 H new ATOM 0 HA ILE A 72 9.317 5.344 -4.409 1.00 0.00 H new ATOM 0 HB ILE A 72 9.839 7.053 -6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.109 4.424 -6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.552 4.473 -6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.224 7.051 -6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.237 7.930 -5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.817 6.288 -4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.359 4.135 -8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.553 5.696 -8.775 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.135 5.646 -7.960 1.00 0.00 H new ATOM 1053 N PRO A 73 9.486 7.299 -2.878 1.00 0.00 N ATOM 1054 CA PRO A 73 9.532 8.401 -1.912 1.00 0.00 C ATOM 1055 C PRO A 73 10.630 9.409 -2.234 1.00 0.00 C ATOM 1056 O PRO A 73 11.732 9.034 -2.637 1.00 0.00 O ATOM 1057 CB PRO A 73 9.824 7.698 -0.584 1.00 0.00 C ATOM 1058 CG PRO A 73 10.520 6.438 -0.969 1.00 0.00 C ATOM 1059 CD PRO A 73 9.930 6.024 -2.288 1.00 0.00 C ATOM 0 HA PRO A 73 8.608 8.979 -1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.449 8.315 0.062 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.905 7.491 -0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.595 6.597 -1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.372 5.665 -0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.666 5.524 -2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.099 5.331 -2.157 1.00 0.00 H new ATOM 1067 N HIS A 74 10.323 10.690 -2.054 1.00 0.00 N ATOM 1068 CA HIS A 74 11.285 11.752 -2.325 1.00 0.00 C ATOM 1069 C HIS A 74 12.077 12.101 -1.068 1.00 0.00 C ATOM 1070 O HIS A 74 13.307 12.096 -1.078 1.00 0.00 O ATOM 1071 CB HIS A 74 10.569 12.995 -2.853 1.00 0.00 C ATOM 1072 CG HIS A 74 10.183 12.897 -4.296 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.755 11.724 -4.883 1.00 0.00 N ATOM 1074 CD2 HIS A 74 10.159 13.834 -5.273 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.487 11.944 -6.157 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.724 13.216 -6.420 1.00 0.00 N ATOM 0 H HIS A 74 9.416 11.017 -1.722 1.00 0.00 H new ATOM 0 HA HIS A 74 11.981 11.394 -3.084 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.673 13.169 -2.257 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.216 13.862 -2.717 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.431 14.874 -5.170 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.134 11.208 -6.864 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.604 13.666 -7.327 1.00 0.00 H new ATOM 1085 N GLU A 75 11.362 12.405 0.011 1.00 0.00 N ATOM 1086 CA GLU A 75 11.998 12.758 1.274 1.00 0.00 C ATOM 1087 C GLU A 75 11.726 11.697 2.336 1.00 0.00 C ATOM 1088 O GLU A 75 10.577 11.339 2.590 1.00 0.00 O ATOM 1089 CB GLU A 75 11.499 14.120 1.759 1.00 0.00 C ATOM 1090 CG GLU A 75 11.779 14.383 3.229 1.00 0.00 C ATOM 1091 CD GLU A 75 13.261 14.378 3.551 1.00 0.00 C ATOM 1092 OE1 GLU A 75 13.985 15.251 3.029 1.00 0.00 O ATOM 1093 OE2 GLU A 75 13.696 13.500 4.325 1.00 0.00 O ATOM 0 H GLU A 75 10.342 12.414 0.035 1.00 0.00 H new ATOM 0 HA GLU A 75 13.074 12.812 1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.968 14.903 1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.425 14.187 1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.353 15.347 3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.278 13.626 3.832 1.00 0.00 H new ATOM 1100 N ASN A 76 12.793 11.197 2.952 1.00 0.00 N ATOM 1101 CA ASN A 76 12.670 10.176 3.986 1.00 0.00 C ATOM 1102 C ASN A 76 11.501 10.483 4.917 1.00 0.00 C ATOM 1103 O ASN A 76 11.087 11.633 5.053 1.00 0.00 O ATOM 1104 CB ASN A 76 13.967 10.077 4.791 1.00 0.00 C ATOM 1105 CG ASN A 76 14.940 9.076 4.200 1.00 0.00 C ATOM 1106 OD1 ASN A 76 16.094 9.404 3.923 1.00 0.00 O ATOM 1107 ND2 ASN A 76 14.478 7.847 4.003 1.00 0.00 N ATOM 0 H ASN A 76 13.752 11.482 2.753 1.00 0.00 H new ATOM 0 HA ASN A 76 12.480 9.220 3.498 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.440 11.058 4.834 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.734 9.791 5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.087 7.131 3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.514 7.619 4.247 1.00 0.00 H new ATOM 1114 N GLY A 77 10.974 9.444 5.559 1.00 0.00 N ATOM 1115 CA GLY A 77 9.859 9.624 6.470 1.00 0.00 C ATOM 1116 C GLY A 77 8.720 8.664 6.188 1.00 0.00 C ATOM 1117 O GLY A 77 8.629 8.100 5.098 1.00 0.00 O ATOM 0 H GLY A 77 11.299 8.482 5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.204 9.483 7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.494 10.648 6.395 1.00 0.00 H new ATOM 1121 N VAL A 78 7.848 8.476 7.174 1.00 0.00 N ATOM 1122 CA VAL A 78 6.709 7.578 7.028 1.00 0.00 C ATOM 1123 C VAL A 78 5.614 8.213 6.180 1.00 0.00 C ATOM 1124 O VAL A 78 5.026 9.226 6.562 1.00 0.00 O ATOM 1125 CB VAL A 78 6.122 7.187 8.397 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.900 6.299 8.221 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.175 6.496 9.250 1.00 0.00 C ATOM 0 H VAL A 78 7.909 8.934 8.083 1.00 0.00 H new ATOM 0 HA VAL A 78 7.076 6.681 6.530 1.00 0.00 H new ATOM 0 HB VAL A 78 5.809 8.096 8.911 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.499 6.033 9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.140 6.834 7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.183 5.392 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.743 6.227 10.214 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.520 5.595 8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.017 7.170 9.406 1.00 0.00 H new ATOM 1137 N HIS A 79 5.342 7.612 5.026 1.00 0.00 N ATOM 1138 CA HIS A 79 4.314 8.118 4.123 1.00 0.00 C ATOM 1139 C HIS A 79 2.971 7.450 4.398 1.00 0.00 C ATOM 1140 O HIS A 79 2.916 6.338 4.924 1.00 0.00 O ATOM 1141 CB HIS A 79 4.724 7.886 2.668 1.00 0.00 C ATOM 1142 CG HIS A 79 5.979 8.603 2.277 1.00 0.00 C ATOM 1143 ND1 HIS A 79 6.982 8.909 3.174 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.393 9.075 1.078 1.00 0.00 C ATOM 1145 CE1 HIS A 79 7.956 9.539 2.543 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.624 9.652 1.269 1.00 0.00 N ATOM 0 H HIS A 79 5.819 6.774 4.694 1.00 0.00 H new ATOM 0 HA HIS A 79 4.209 9.189 4.297 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.860 6.817 2.504 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.913 8.208 2.015 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.855 9.010 0.144 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.869 9.901 2.992 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.190 10.096 0.546 1.00 0.00 H new ATOM 1155 N SER A 80 1.890 8.135 4.041 1.00 0.00 N ATOM 1156 CA SER A 80 0.546 7.610 4.254 1.00 0.00 C ATOM 1157 C SER A 80 -0.049 7.094 2.947 1.00 0.00 C ATOM 1158 O SER A 80 -0.375 7.873 2.051 1.00 0.00 O ATOM 1159 CB SER A 80 -0.359 8.691 4.848 1.00 0.00 C ATOM 1160 OG SER A 80 -0.307 8.677 6.264 1.00 0.00 O ATOM 0 H SER A 80 1.918 9.056 3.603 1.00 0.00 H new ATOM 0 HA SER A 80 0.615 6.778 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.052 9.670 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.385 8.533 4.517 1.00 0.00 H new ATOM 0 HG SER A 80 -0.892 9.378 6.620 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.187 5.776 2.847 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.743 5.156 1.651 1.00 0.00 C ATOM 1168 C ILE A 81 -2.262 5.055 1.740 1.00 0.00 C ATOM 1169 O ILE A 81 -2.798 4.233 2.483 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.159 3.749 1.423 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.340 3.741 1.726 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.419 3.294 -0.006 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.136 4.699 0.869 1.00 0.00 C ATOM 0 H ILE A 81 0.078 5.118 3.579 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.472 5.794 0.810 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.651 3.052 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.491 3.994 2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.726 2.732 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.001 2.298 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.493 3.267 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.050 3.991 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.190 4.639 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.015 4.434 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.777 5.716 1.030 1.00 0.00 H new ATOM 1185 N ASP A 82 -2.951 5.897 0.977 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.409 5.901 0.967 1.00 0.00 C ATOM 1187 C ASP A 82 -4.949 4.843 0.009 1.00 0.00 C ATOM 1188 O ASP A 82 -4.837 4.978 -1.209 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.934 7.282 0.569 1.00 0.00 C ATOM 1190 CG ASP A 82 -5.044 8.222 1.753 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -4.052 8.352 2.501 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -6.121 8.827 1.932 1.00 0.00 O ATOM 0 H ASP A 82 -2.523 6.585 0.358 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.755 5.665 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.270 7.719 -0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.913 7.175 0.102 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.535 3.789 0.569 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.092 2.708 -0.234 1.00 0.00 C ATOM 1199 C VAL A 83 -7.614 2.689 -0.150 1.00 0.00 C ATOM 1200 O VAL A 83 -8.187 2.245 0.846 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.547 1.338 0.213 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.129 0.225 -0.646 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.027 1.326 0.157 1.00 0.00 C ATOM 0 H VAL A 83 -5.636 3.661 1.576 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.790 2.892 -1.265 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.852 1.164 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.732 -0.735 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.215 0.221 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.857 0.390 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.659 0.351 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.699 1.522 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.632 2.097 0.819 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.265 3.172 -1.202 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.722 3.210 -1.250 1.00 0.00 C ATOM 1215 C LYS A 84 -10.263 2.149 -2.202 1.00 0.00 C ATOM 1216 O LYS A 84 -9.575 1.726 -3.132 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.203 4.596 -1.687 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.286 5.598 -0.549 1.00 0.00 C ATOM 1219 CD LYS A 84 -11.371 6.633 -0.795 1.00 0.00 C ATOM 1220 CE LYS A 84 -10.865 7.776 -1.662 1.00 0.00 C ATOM 1221 NZ LYS A 84 -11.980 8.613 -2.183 1.00 0.00 N ATOM 0 H LYS A 84 -7.806 3.543 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.099 3.001 -0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.528 4.982 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.186 4.501 -2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.488 5.073 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.325 6.098 -0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.225 6.159 -1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.723 7.027 0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.185 8.399 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.293 7.372 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.594 9.381 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.616 8.025 -2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.511 9.019 -1.386 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.500 1.723 -1.966 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.133 0.711 -2.803 1.00 0.00 C ATOM 1237 C PHE A 85 -13.608 1.034 -3.024 1.00 0.00 C ATOM 1238 O PHE A 85 -14.416 0.960 -2.099 1.00 0.00 O ATOM 1239 CB PHE A 85 -11.992 -0.672 -2.164 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.239 -1.802 -3.122 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.451 -1.956 -4.251 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.259 -2.711 -2.892 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -11.675 -2.996 -5.133 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.488 -3.753 -3.771 1.00 0.00 C ATOM 1245 CZ PHE A 85 -12.695 -3.895 -4.894 1.00 0.00 C ATOM 0 H PHE A 85 -12.084 2.063 -1.202 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.630 0.709 -3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.989 -0.771 -1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.691 -0.752 -1.332 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.652 -1.255 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.882 -2.604 -2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.052 -3.105 -6.009 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.286 -4.455 -3.580 1.00 0.00 H new ATOM 0 HZ PHE A 85 -12.873 -4.707 -5.583 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.951 1.392 -4.257 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.328 1.728 -4.601 1.00 0.00 C ATOM 1257 C ASN A 86 -15.902 2.744 -3.618 1.00 0.00 C ATOM 1258 O ASN A 86 -17.026 2.596 -3.141 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.195 0.467 -4.611 1.00 0.00 C ATOM 1260 CG ASN A 86 -17.369 0.580 -5.564 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -17.231 -0.010 -6.746 1.00 0.00 O flip ATOM 1262 ND2 ASN A 86 -18.388 1.191 -5.241 1.00 0.00 N flip ATOM 0 H ASN A 86 -13.294 1.457 -5.035 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.330 2.171 -5.597 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.583 -0.389 -4.893 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.565 0.276 -3.604 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -18.450 1.629 -4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -19.170 1.259 -5.892 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.121 3.778 -3.320 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.568 4.804 -2.396 1.00 0.00 C ATOM 1271 C GLY A 87 -15.650 4.302 -0.968 1.00 0.00 C ATOM 1272 O GLY A 87 -16.636 4.547 -0.273 1.00 0.00 O ATOM 0 H GLY A 87 -14.187 3.923 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.885 5.652 -2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.548 5.167 -2.707 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.613 3.597 -0.530 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.572 3.060 0.825 1.00 0.00 C ATOM 1278 C ALA A 88 -13.134 2.892 1.306 1.00 0.00 C ATOM 1279 O ALA A 88 -12.264 2.457 0.552 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.310 1.731 0.888 1.00 0.00 C ATOM 0 H ALA A 88 -13.790 3.384 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.068 3.771 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.272 1.341 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.349 1.878 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.838 1.020 0.209 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.892 3.240 2.566 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.559 3.128 3.147 1.00 0.00 C ATOM 1288 C HIS A 89 -11.356 1.754 3.778 1.00 0.00 C ATOM 1289 O HIS A 89 -12.138 1.330 4.629 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.344 4.221 4.195 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.767 5.484 3.633 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.433 5.817 3.745 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.350 6.496 2.951 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.222 6.981 3.157 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.369 7.414 2.667 1.00 0.00 N ATOM 0 H HIS A 89 -13.601 3.602 3.204 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.828 3.253 2.348 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.297 4.448 4.673 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.680 3.842 4.972 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.393 6.569 2.680 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.273 7.492 3.089 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.504 8.289 2.160 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.302 1.064 3.355 1.00 0.00 N ATOM 1305 CA ILE A 90 -9.996 -0.261 3.879 1.00 0.00 C ATOM 1306 C ILE A 90 -9.524 -0.184 5.327 1.00 0.00 C ATOM 1307 O ILE A 90 -8.943 0.809 5.764 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.917 -0.965 3.035 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.572 -0.252 3.191 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.333 -1.009 1.573 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.380 -1.155 2.962 1.00 0.00 C ATOM 0 H ILE A 90 -9.646 1.401 2.651 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.918 -0.840 3.831 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.808 -1.989 3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.527 0.580 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.509 0.173 4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.560 -1.509 0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.271 -1.556 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.467 0.007 1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.461 -0.583 3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.400 -1.974 3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.419 -1.560 1.951 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.777 -1.258 6.089 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.384 -1.338 7.499 1.00 0.00 C ATOM 1325 C PRO A 91 -7.873 -1.448 7.675 1.00 0.00 C ATOM 1326 O PRO A 91 -7.286 -2.503 7.441 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.073 -2.614 7.988 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.244 -3.445 6.763 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.466 -2.477 5.634 1.00 0.00 C ATOM 0 HA PRO A 91 -9.670 -0.444 8.053 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.469 -3.129 8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.033 -2.392 8.453 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.362 -4.060 6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.090 -4.124 6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.049 -2.849 4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.527 -2.298 5.461 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.249 -0.349 8.089 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.811 -0.344 8.289 1.00 0.00 C ATOM 1339 C GLY A 92 -5.132 0.814 7.585 1.00 0.00 C ATOM 1340 O GLY A 92 -4.014 1.192 7.934 1.00 0.00 O ATOM 0 H GLY A 92 -7.713 0.537 8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.596 -0.293 9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.393 -1.282 7.924 1.00 0.00 H new ATOM 1344 N SER A 93 -5.809 1.378 6.590 1.00 0.00 N ATOM 1345 CA SER A 93 -5.261 2.497 5.831 1.00 0.00 C ATOM 1346 C SER A 93 -5.555 3.822 6.528 1.00 0.00 C ATOM 1347 O SER A 93 -6.528 3.960 7.270 1.00 0.00 O ATOM 1348 CB SER A 93 -5.841 2.513 4.415 1.00 0.00 C ATOM 1349 OG SER A 93 -5.950 3.837 3.923 1.00 0.00 O ATOM 0 H SER A 93 -6.737 1.079 6.290 1.00 0.00 H new ATOM 0 HA SER A 93 -4.180 2.369 5.772 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.205 1.927 3.752 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.823 2.040 4.416 1.00 0.00 H new ATOM 0 HG SER A 93 -6.702 3.892 3.297 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.695 4.821 6.284 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.533 4.668 5.404 1.00 0.00 C ATOM 1357 C PRO A 94 -2.464 3.763 6.006 1.00 0.00 C ATOM 1358 O PRO A 94 -2.226 3.785 7.214 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.005 6.098 5.262 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.465 6.796 6.494 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.789 6.177 6.851 1.00 0.00 C ATOM 0 HA PRO A 94 -3.799 4.201 4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.918 6.112 5.181 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.398 6.578 4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.746 6.673 7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.569 7.867 6.320 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.943 6.152 7.930 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.622 6.735 6.423 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.821 2.968 5.157 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.777 2.054 5.606 1.00 0.00 C ATOM 1371 C PHE A 95 0.519 2.807 5.891 1.00 0.00 C ATOM 1372 O PHE A 95 1.245 3.188 4.972 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.530 0.972 4.553 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.597 -0.085 4.519 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.860 -0.859 5.637 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.336 -0.305 3.367 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.841 -1.832 5.609 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.318 -1.277 3.334 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.571 -2.042 4.455 1.00 0.00 C ATOM 0 H PHE A 95 -2.005 2.938 4.154 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.114 1.583 6.529 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.462 1.440 3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.433 0.499 4.748 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.292 -0.700 6.542 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.142 0.289 2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.037 -2.428 6.488 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.888 -1.438 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.337 -2.802 4.430 1.00 0.00 H new ATOM 1389 N LYS A 96 0.804 3.020 7.171 1.00 0.00 N ATOM 1390 CA LYS A 96 2.012 3.726 7.580 1.00 0.00 C ATOM 1391 C LYS A 96 3.256 2.900 7.270 1.00 0.00 C ATOM 1392 O LYS A 96 3.573 1.947 7.982 1.00 0.00 O ATOM 1393 CB LYS A 96 1.959 4.047 9.075 1.00 0.00 C ATOM 1394 CG LYS A 96 0.882 5.053 9.444 1.00 0.00 C ATOM 1395 CD LYS A 96 1.245 6.453 8.979 1.00 0.00 C ATOM 1396 CE LYS A 96 0.066 7.406 9.108 1.00 0.00 C ATOM 1397 NZ LYS A 96 -0.133 7.855 10.514 1.00 0.00 N ATOM 0 H LYS A 96 0.214 2.713 7.944 1.00 0.00 H new ATOM 0 HA LYS A 96 2.066 4.658 7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.788 3.125 9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.928 4.434 9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.066 4.754 8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.738 5.053 10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.083 6.827 9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.575 6.419 7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.229 8.274 8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.839 6.914 8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.945 8.503 10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.314 7.029 11.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.721 8.347 10.845 1.00 0.00 H new ATOM 1411 N ILE A 97 3.958 3.273 6.205 1.00 0.00 N ATOM 1412 CA ILE A 97 5.169 2.568 5.804 1.00 0.00 C ATOM 1413 C ILE A 97 6.417 3.366 6.170 1.00 0.00 C ATOM 1414 O ILE A 97 6.484 4.573 5.937 1.00 0.00 O ATOM 1415 CB ILE A 97 5.180 2.285 4.290 1.00 0.00 C ATOM 1416 CG1 ILE A 97 4.973 3.581 3.505 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.108 1.266 3.935 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.326 3.463 2.039 1.00 0.00 C ATOM 0 H ILE A 97 3.709 4.059 5.605 1.00 0.00 H new ATOM 0 HA ILE A 97 5.176 1.620 6.343 1.00 0.00 H new ATOM 0 HB ILE A 97 6.151 1.871 4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.931 3.889 3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.578 4.369 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.128 1.076 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.298 0.336 4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.129 1.654 4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.155 4.420 1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.375 3.186 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.703 2.698 1.575 1.00 0.00 H new ATOM 1430 N ARG A 98 7.403 2.683 6.741 1.00 0.00 N ATOM 1431 CA ARG A 98 8.649 3.327 7.139 1.00 0.00 C ATOM 1432 C ARG A 98 9.646 3.342 5.984 1.00 0.00 C ATOM 1433 O ARG A 98 10.018 2.292 5.458 1.00 0.00 O ATOM 1434 CB ARG A 98 9.258 2.609 8.344 1.00 0.00 C ATOM 1435 CG ARG A 98 10.388 3.380 9.006 1.00 0.00 C ATOM 1436 CD ARG A 98 11.324 2.455 9.767 1.00 0.00 C ATOM 1437 NE ARG A 98 12.005 3.143 10.860 1.00 0.00 N ATOM 1438 CZ ARG A 98 11.416 3.464 12.007 1.00 0.00 C ATOM 1439 NH1 ARG A 98 10.141 3.161 12.209 1.00 0.00 N ATOM 1440 NH2 ARG A 98 12.102 4.090 12.954 1.00 0.00 N ATOM 0 H ARG A 98 7.363 1.683 6.939 1.00 0.00 H new ATOM 0 HA ARG A 98 8.424 4.357 7.415 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.475 2.425 9.080 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.631 1.636 8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.951 3.925 8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.973 4.121 9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.757 1.614 10.166 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.064 2.044 9.081 1.00 0.00 H new ATOM 0 HE ARG A 98 12.987 3.391 10.736 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.610 2.680 11.483 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.691 3.409 13.090 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.083 4.326 12.802 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.649 4.336 13.834 1.00 0.00 H new ATOM 1454 N VAL A 99 10.073 4.538 5.593 1.00 0.00 N ATOM 1455 CA VAL A 99 11.027 4.689 4.500 1.00 0.00 C ATOM 1456 C VAL A 99 12.337 5.293 4.994 1.00 0.00 C ATOM 1457 O VAL A 99 12.413 6.487 5.283 1.00 0.00 O ATOM 1458 CB VAL A 99 10.458 5.575 3.376 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.471 5.729 2.252 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.152 4.996 2.852 1.00 0.00 C ATOM 0 H VAL A 99 9.774 5.416 6.016 1.00 0.00 H new ATOM 0 HA VAL A 99 11.216 3.691 4.105 1.00 0.00 H new ATOM 0 HB VAL A 99 10.253 6.564 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.051 6.358 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.378 6.191 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.711 4.748 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.764 5.634 2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.330 3.995 2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.426 4.943 3.663 1.00 0.00 H new