USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 523 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 17 SER OG : rot 24:sc= 1.93 USER MOD Set 1.2: A 60 SER OG : rot 97:sc= 1.69! USER MOD Set 2.1: A 35 THR OG1 : rot -26:sc= 1.28! USER MOD Set 2.2: A 71 THR OG1 : rot 140:sc= 1.46 USER MOD Single : A 14 THR OG1 : rot 180:sc= -2.17! USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.834 K(o=-0.83,f=-0.0039) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 161:sc=-0.000692 (180deg=-0.462) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= -0.102 (180deg=-0.553) USER MOD Single : A 68 TYR OH : rot 130:sc= -0.02 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 76 THR OG1 : rot 150:sc= -1.08 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.633! C(o=-0.63!,f=-0.63!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.449 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 9.090 2.207 -6.899 1.00 0.00 N ATOM 109 CA LEU A 8 8.171 1.043 -6.759 1.00 0.00 C ATOM 110 C LEU A 8 8.963 -0.241 -6.548 1.00 0.00 C ATOM 111 O LEU A 8 9.782 -0.601 -7.369 1.00 0.00 O ATOM 112 CB LEU A 8 7.353 0.901 -8.063 1.00 0.00 C ATOM 113 CG LEU A 8 6.248 1.968 -8.103 1.00 0.00 C ATOM 114 CD1 LEU A 8 6.890 3.362 -8.161 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.380 1.745 -9.354 1.00 0.00 C ATOM 0 HA LEU A 8 7.519 1.208 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.008 1.010 -8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.912 -0.094 -8.120 1.00 0.00 H new ATOM 0 HG LEU A 8 5.627 1.894 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.109 4.122 -8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.511 3.513 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.506 3.442 -9.056 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.593 2.498 -9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.001 1.826 -10.246 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.931 0.753 -9.313 1.00 0.00 H new ATOM 127 N GLU A 9 8.713 -0.915 -5.452 1.00 0.00 N ATOM 128 CA GLU A 9 9.463 -2.176 -5.205 1.00 0.00 C ATOM 129 C GLU A 9 8.910 -2.943 -4.006 1.00 0.00 C ATOM 130 O GLU A 9 8.135 -2.420 -3.223 1.00 0.00 O ATOM 131 CB GLU A 9 10.931 -1.815 -4.917 1.00 0.00 C ATOM 132 CG GLU A 9 11.840 -2.621 -5.846 1.00 0.00 C ATOM 133 CD GLU A 9 13.298 -2.404 -5.437 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.710 -3.090 -4.517 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.916 -1.561 -6.066 1.00 0.00 O ATOM 0 H GLU A 9 8.037 -0.651 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 9 9.367 -2.810 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.092 -0.748 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.173 -2.030 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.588 -3.680 -5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.690 -2.311 -6.880 1.00 0.00 H new ATOM 142 N VAL A 10 9.322 -4.184 -3.897 1.00 0.00 N ATOM 143 CA VAL A 10 8.851 -5.024 -2.769 1.00 0.00 C ATOM 144 C VAL A 10 9.834 -4.929 -1.607 1.00 0.00 C ATOM 145 O VAL A 10 11.029 -4.847 -1.819 1.00 0.00 O ATOM 146 CB VAL A 10 8.784 -6.482 -3.253 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.456 -7.396 -2.070 1.00 0.00 C ATOM 148 CG2 VAL A 10 7.684 -6.606 -4.308 1.00 0.00 C ATOM 0 H VAL A 10 9.963 -4.644 -4.543 1.00 0.00 H new ATOM 0 HA VAL A 10 7.871 -4.683 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 10 9.743 -6.773 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.408 -8.430 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.232 -7.300 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.494 -7.110 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.629 -7.637 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.727 -6.319 -3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.910 -5.950 -5.148 1.00 0.00 H new ATOM 158 N VAL A 11 9.317 -4.938 -0.399 1.00 0.00 N ATOM 159 CA VAL A 11 10.216 -4.845 0.793 1.00 0.00 C ATOM 160 C VAL A 11 9.921 -5.952 1.804 1.00 0.00 C ATOM 161 O VAL A 11 10.592 -6.071 2.809 1.00 0.00 O ATOM 162 CB VAL A 11 9.978 -3.480 1.466 1.00 0.00 C ATOM 163 CG1 VAL A 11 8.773 -3.577 2.404 1.00 0.00 C ATOM 164 CG2 VAL A 11 11.216 -3.089 2.277 1.00 0.00 C ATOM 0 H VAL A 11 8.321 -5.005 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 11 11.250 -4.953 0.464 1.00 0.00 H new ATOM 0 HB VAL A 11 9.787 -2.728 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.604 -2.611 2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.889 -3.859 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.966 -4.330 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.049 -2.123 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.403 -3.843 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.079 -3.022 1.614 1.00 0.00 H new ATOM 174 N ALA A 12 8.931 -6.743 1.519 1.00 0.00 N ATOM 175 CA ALA A 12 8.584 -7.844 2.452 1.00 0.00 C ATOM 176 C ALA A 12 7.405 -8.640 1.920 1.00 0.00 C ATOM 177 O ALA A 12 6.532 -8.098 1.271 1.00 0.00 O ATOM 178 CB ALA A 12 8.198 -7.233 3.809 1.00 0.00 C ATOM 0 H ALA A 12 8.349 -6.676 0.684 1.00 0.00 H new ATOM 0 HA ALA A 12 9.442 -8.509 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.940 -8.030 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.039 -6.663 4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.341 -6.572 3.680 1.00 0.00 H new ATOM 184 N ALA A 13 7.398 -9.912 2.209 1.00 0.00 N ATOM 185 CA ALA A 13 6.286 -10.766 1.727 1.00 0.00 C ATOM 186 C ALA A 13 6.437 -12.189 2.249 1.00 0.00 C ATOM 187 O ALA A 13 7.344 -12.890 1.847 1.00 0.00 O ATOM 188 CB ALA A 13 6.361 -10.819 0.195 1.00 0.00 C ATOM 0 H ALA A 13 8.113 -10.392 2.756 1.00 0.00 H new ATOM 0 HA ALA A 13 5.340 -10.352 2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.553 -11.442 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.265 -9.811 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.319 -11.241 -0.108 1.00 0.00 H new ATOM 194 N THR A 14 5.546 -12.613 3.125 1.00 0.00 N ATOM 195 CA THR A 14 5.683 -14.003 3.642 1.00 0.00 C ATOM 196 C THR A 14 4.316 -14.662 3.988 1.00 0.00 C ATOM 197 O THR A 14 3.828 -15.434 3.200 1.00 0.00 O ATOM 198 CB THR A 14 6.632 -14.020 4.863 1.00 0.00 C ATOM 199 OG1 THR A 14 6.625 -12.705 5.380 1.00 0.00 O ATOM 200 CG2 THR A 14 8.092 -14.238 4.425 1.00 0.00 C ATOM 0 H THR A 14 4.761 -12.073 3.488 1.00 0.00 H new ATOM 0 HA THR A 14 6.113 -14.604 2.841 1.00 0.00 H new ATOM 0 HB THR A 14 6.311 -14.800 5.553 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.213 -12.658 6.163 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.738 -14.246 5.303 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.177 -15.191 3.904 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.396 -13.431 3.758 1.00 0.00 H new ATOM 208 N PRO A 15 3.668 -14.297 5.117 1.00 0.00 N ATOM 209 CA PRO A 15 2.374 -14.919 5.466 1.00 0.00 C ATOM 210 C PRO A 15 1.386 -14.807 4.306 1.00 0.00 C ATOM 211 O PRO A 15 0.497 -13.983 4.332 1.00 0.00 O ATOM 212 CB PRO A 15 1.869 -14.103 6.690 1.00 0.00 C ATOM 213 CG PRO A 15 2.814 -12.876 6.836 1.00 0.00 C ATOM 214 CD PRO A 15 4.065 -13.173 5.993 1.00 0.00 C ATOM 0 HA PRO A 15 2.474 -15.982 5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.838 -13.781 6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.885 -14.712 7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.322 -11.967 6.490 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.081 -12.717 7.881 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.365 -12.303 5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.913 -13.442 6.623 1.00 0.00 H new ATOM 222 N THR A 16 1.548 -15.670 3.308 1.00 0.00 N ATOM 223 CA THR A 16 0.634 -15.621 2.138 1.00 0.00 C ATOM 224 C THR A 16 0.272 -14.184 1.855 1.00 0.00 C ATOM 225 O THR A 16 -0.823 -13.886 1.417 1.00 0.00 O ATOM 226 CB THR A 16 -0.642 -16.400 2.470 1.00 0.00 C ATOM 227 OG1 THR A 16 -0.212 -17.543 3.182 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.290 -16.958 1.188 1.00 0.00 C ATOM 0 H THR A 16 2.269 -16.390 3.269 1.00 0.00 H new ATOM 0 HA THR A 16 1.122 -16.059 1.267 1.00 0.00 H new ATOM 0 HB THR A 16 -1.341 -15.754 3.002 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.989 -18.087 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.195 -17.508 1.447 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.544 -16.134 0.521 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.590 -17.627 0.688 1.00 0.00 H new ATOM 236 N SER A 17 1.214 -13.300 2.131 1.00 0.00 N ATOM 237 CA SER A 17 0.941 -11.852 1.885 1.00 0.00 C ATOM 238 C SER A 17 2.142 -11.126 1.300 1.00 0.00 C ATOM 239 O SER A 17 3.284 -11.456 1.582 1.00 0.00 O ATOM 240 CB SER A 17 0.580 -11.193 3.228 1.00 0.00 C ATOM 241 OG SER A 17 -0.834 -11.309 3.305 1.00 0.00 O ATOM 0 H SER A 17 2.137 -13.519 2.507 1.00 0.00 H new ATOM 0 HA SER A 17 0.126 -11.782 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.067 -11.697 4.063 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.896 -10.150 3.258 1.00 0.00 H new ATOM 0 HG SER A 17 -1.131 -12.059 2.749 1.00 0.00 H new ATOM 247 N LEU A 18 1.843 -10.129 0.503 1.00 0.00 N ATOM 248 CA LEU A 18 2.912 -9.330 -0.141 1.00 0.00 C ATOM 249 C LEU A 18 2.915 -7.901 0.401 1.00 0.00 C ATOM 250 O LEU A 18 1.870 -7.332 0.647 1.00 0.00 O ATOM 251 CB LEU A 18 2.608 -9.280 -1.650 1.00 0.00 C ATOM 252 CG LEU A 18 3.890 -8.929 -2.426 1.00 0.00 C ATOM 253 CD1 LEU A 18 4.710 -10.208 -2.707 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.502 -8.278 -3.762 1.00 0.00 C ATOM 0 H LEU A 18 0.893 -9.838 0.274 1.00 0.00 H new ATOM 0 HA LEU A 18 3.883 -9.783 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.221 -10.242 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.835 -8.538 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 18 4.493 -8.243 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.614 -9.947 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.982 -10.680 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.112 -10.900 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.404 -8.026 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.899 -8.974 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.928 -7.371 -3.572 1.00 0.00 H new ATOM 266 N LEU A 19 4.096 -7.351 0.572 1.00 0.00 N ATOM 267 CA LEU A 19 4.202 -5.954 1.097 1.00 0.00 C ATOM 268 C LEU A 19 4.854 -5.053 0.056 1.00 0.00 C ATOM 269 O LEU A 19 6.045 -5.140 -0.179 1.00 0.00 O ATOM 270 CB LEU A 19 5.083 -5.975 2.364 1.00 0.00 C ATOM 271 CG LEU A 19 4.514 -5.002 3.404 1.00 0.00 C ATOM 272 CD1 LEU A 19 3.420 -5.706 4.212 1.00 0.00 C ATOM 273 CD2 LEU A 19 5.633 -4.575 4.348 1.00 0.00 C ATOM 0 H LEU A 19 4.986 -7.808 0.371 1.00 0.00 H new ATOM 0 HA LEU A 19 3.207 -5.572 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.120 -6.983 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.106 -5.696 2.112 1.00 0.00 H new ATOM 0 HG LEU A 19 4.096 -4.130 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.014 -5.017 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.624 -6.029 3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.843 -6.574 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.238 -3.883 5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.040 -5.453 4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.422 -4.084 3.778 1.00 0.00 H new ATOM 285 N ILE A 20 4.060 -4.199 -0.551 1.00 0.00 N ATOM 286 CA ILE A 20 4.619 -3.280 -1.586 1.00 0.00 C ATOM 287 C ILE A 20 4.727 -1.855 -1.062 1.00 0.00 C ATOM 288 O ILE A 20 4.044 -1.479 -0.130 1.00 0.00 O ATOM 289 CB ILE A 20 3.680 -3.290 -2.797 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.253 -2.932 -2.370 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.665 -4.709 -3.384 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.632 -2.006 -3.418 1.00 0.00 C ATOM 0 H ILE A 20 3.060 -4.102 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 20 5.618 -3.622 -1.856 1.00 0.00 H new ATOM 0 HB ILE A 20 4.030 -2.562 -3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.654 -3.837 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.264 -2.443 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.002 -4.738 -4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.673 -4.986 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.309 -5.411 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.616 -1.748 -3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.228 -1.097 -3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.609 -2.512 -4.383 1.00 0.00 H new ATOM 304 N SER A 21 5.579 -1.086 -1.674 1.00 0.00 N ATOM 305 CA SER A 21 5.740 0.312 -1.223 1.00 0.00 C ATOM 306 C SER A 21 6.185 1.202 -2.371 1.00 0.00 C ATOM 307 O SER A 21 7.022 0.812 -3.169 1.00 0.00 O ATOM 308 CB SER A 21 6.820 0.342 -0.129 1.00 0.00 C ATOM 309 OG SER A 21 7.534 -0.872 -0.316 1.00 0.00 O ATOM 0 H SER A 21 6.165 -1.366 -2.461 1.00 0.00 H new ATOM 0 HA SER A 21 4.785 0.679 -0.847 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.472 1.209 -0.236 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.378 0.396 0.866 1.00 0.00 H new ATOM 0 HG SER A 21 8.252 -0.935 0.348 1.00 0.00 H new ATOM 315 N TRP A 22 5.610 2.383 -2.450 1.00 0.00 N ATOM 316 CA TRP A 22 6.003 3.294 -3.543 1.00 0.00 C ATOM 317 C TRP A 22 5.999 4.746 -3.083 1.00 0.00 C ATOM 318 O TRP A 22 6.127 5.016 -1.904 1.00 0.00 O ATOM 319 CB TRP A 22 5.064 3.092 -4.761 1.00 0.00 C ATOM 320 CG TRP A 22 3.671 3.676 -4.527 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.247 4.796 -5.090 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.703 3.091 -3.848 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.956 4.869 -4.727 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.531 3.826 -3.933 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.706 1.906 -3.127 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.384 3.389 -3.307 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.552 1.472 -2.501 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.394 2.215 -2.592 1.00 0.00 C ATOM 0 H TRP A 22 4.899 2.738 -1.810 1.00 0.00 H new ATOM 0 HA TRP A 22 7.023 3.054 -3.843 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.508 3.560 -5.640 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.977 2.027 -4.976 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.808 5.489 -5.699 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.342 5.631 -5.015 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.611 1.321 -3.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.524 3.969 -3.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.558 0.549 -1.940 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.506 1.874 -2.101 1.00 0.00 H new ATOM 415 N VAL A 29 -4.126 14.412 -4.178 1.00 0.00 N ATOM 416 CA VAL A 29 -4.638 13.374 -5.091 1.00 0.00 C ATOM 417 C VAL A 29 -5.937 12.794 -4.571 1.00 0.00 C ATOM 418 O VAL A 29 -6.014 12.348 -3.443 1.00 0.00 O ATOM 419 CB VAL A 29 -3.598 12.257 -5.177 1.00 0.00 C ATOM 420 CG1 VAL A 29 -4.024 11.256 -6.249 1.00 0.00 C ATOM 421 CG2 VAL A 29 -2.248 12.861 -5.559 1.00 0.00 C ATOM 0 HA VAL A 29 -4.822 13.816 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.517 11.751 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.286 10.457 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.994 10.833 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.097 11.763 -7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.500 12.070 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.332 13.359 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.946 13.586 -4.803 1.00 0.00 H new ATOM 431 N ARG A 30 -6.937 12.806 -5.400 1.00 0.00 N ATOM 432 CA ARG A 30 -8.234 12.258 -4.968 1.00 0.00 C ATOM 433 C ARG A 30 -8.062 10.833 -4.467 1.00 0.00 C ATOM 434 O ARG A 30 -8.629 10.460 -3.458 1.00 0.00 O ATOM 435 CB ARG A 30 -9.193 12.264 -6.165 1.00 0.00 C ATOM 436 CG ARG A 30 -9.273 13.686 -6.734 1.00 0.00 C ATOM 437 CD ARG A 30 -10.713 14.195 -6.630 1.00 0.00 C ATOM 438 NE ARG A 30 -11.628 13.204 -7.262 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.253 13.519 -8.361 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.580 13.568 -9.478 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.530 13.776 -8.307 1.00 0.00 N ATOM 0 H ARG A 30 -6.908 13.171 -6.352 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.635 12.868 -4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.844 11.571 -6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.182 11.926 -5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.601 14.347 -6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.948 13.692 -7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.984 14.344 -5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.807 15.162 -7.125 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.764 12.286 -6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.581 13.361 -9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.053 13.813 -10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.022 13.729 -7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.037 14.024 -9.157 1.00 0.00 H new ATOM 455 N TYR A 31 -7.282 10.050 -5.176 1.00 0.00 N ATOM 456 CA TYR A 31 -7.083 8.649 -4.721 1.00 0.00 C ATOM 457 C TYR A 31 -6.147 7.872 -5.639 1.00 0.00 C ATOM 458 O TYR A 31 -5.849 8.289 -6.743 1.00 0.00 O ATOM 459 CB TYR A 31 -8.446 7.936 -4.698 1.00 0.00 C ATOM 460 CG TYR A 31 -9.346 8.499 -5.801 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.029 8.306 -7.129 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.497 9.192 -5.484 1.00 0.00 C ATOM 463 CE1 TYR A 31 -9.851 8.795 -8.124 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.317 9.682 -6.480 1.00 0.00 C ATOM 465 CZ TYR A 31 -10.999 9.486 -7.808 1.00 0.00 C ATOM 466 OH TYR A 31 -11.817 9.975 -8.804 1.00 0.00 O ATOM 0 H TYR A 31 -6.789 10.317 -6.028 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.633 8.683 -3.729 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.308 6.864 -4.841 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.920 8.070 -3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.130 7.768 -7.393 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.758 9.352 -4.448 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.591 8.634 -9.160 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.214 10.223 -6.218 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.583 10.435 -8.402 1.00 0.00 H new ATOM 476 N TYR A 32 -5.706 6.749 -5.143 1.00 0.00 N ATOM 477 CA TYR A 32 -4.784 5.878 -5.923 1.00 0.00 C ATOM 478 C TYR A 32 -5.479 4.552 -6.219 1.00 0.00 C ATOM 479 O TYR A 32 -6.465 4.229 -5.587 1.00 0.00 O ATOM 480 CB TYR A 32 -3.548 5.594 -5.044 1.00 0.00 C ATOM 481 CG TYR A 32 -2.361 6.452 -5.494 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.282 7.784 -5.139 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.333 5.896 -6.229 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.192 8.545 -5.510 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.244 6.659 -6.600 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.166 7.988 -6.242 1.00 0.00 C ATOM 487 OH TYR A 32 0.924 8.747 -6.600 1.00 0.00 O ATOM 0 H TYR A 32 -5.949 6.394 -4.218 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.500 6.364 -6.857 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.781 5.804 -4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.285 4.538 -5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.080 8.234 -4.566 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.381 4.856 -6.516 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.143 9.585 -5.224 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.553 6.211 -7.175 1.00 0.00 H new ATOM 0 HH TYR A 32 1.552 8.196 -7.112 1.00 0.00 H new ATOM 497 N ARG A 33 -4.971 3.799 -7.169 1.00 0.00 N ATOM 498 CA ARG A 33 -5.635 2.496 -7.474 1.00 0.00 C ATOM 499 C ARG A 33 -4.623 1.458 -7.899 1.00 0.00 C ATOM 500 O ARG A 33 -4.105 1.499 -8.998 1.00 0.00 O ATOM 501 CB ARG A 33 -6.656 2.709 -8.598 1.00 0.00 C ATOM 502 CG ARG A 33 -7.041 1.358 -9.200 1.00 0.00 C ATOM 503 CD ARG A 33 -8.377 1.504 -9.931 1.00 0.00 C ATOM 504 NE ARG A 33 -9.490 1.315 -8.958 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.695 1.675 -9.295 1.00 0.00 C ATOM 506 NH1 ARG A 33 -10.967 1.853 -10.558 1.00 0.00 N ATOM 507 NH2 ARG A 33 -11.589 1.853 -8.360 1.00 0.00 N ATOM 0 H ARG A 33 -4.149 4.024 -7.730 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.133 2.136 -6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.542 3.211 -8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.235 3.356 -9.368 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.269 1.019 -9.890 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.121 0.605 -8.416 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.446 2.488 -10.395 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.449 0.769 -10.732 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.310 0.909 -8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.242 1.710 -11.261 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.905 2.135 -10.843 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.339 1.710 -7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.537 2.135 -8.608 1.00 0.00 H new ATOM 521 N ILE A 34 -4.364 0.537 -7.010 1.00 0.00 N ATOM 522 CA ILE A 34 -3.389 -0.528 -7.317 1.00 0.00 C ATOM 523 C ILE A 34 -4.090 -1.820 -7.733 1.00 0.00 C ATOM 524 O ILE A 34 -4.890 -2.363 -6.997 1.00 0.00 O ATOM 525 CB ILE A 34 -2.558 -0.803 -6.058 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.104 0.520 -5.416 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.301 -1.581 -6.478 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.275 1.204 -4.674 1.00 0.00 C ATOM 0 H ILE A 34 -4.791 0.483 -6.085 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.759 -0.197 -8.143 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.160 -1.365 -5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.288 0.329 -4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.716 1.188 -6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.691 -1.790 -5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.594 -2.520 -6.947 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.724 -0.986 -7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.929 2.137 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.079 1.415 -5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.644 0.543 -3.890 1.00 0.00 H new ATOM 540 N THR A 35 -3.768 -2.278 -8.919 1.00 0.00 N ATOM 541 CA THR A 35 -4.382 -3.530 -9.435 1.00 0.00 C ATOM 542 C THR A 35 -3.298 -4.559 -9.703 1.00 0.00 C ATOM 543 O THR A 35 -2.244 -4.219 -10.207 1.00 0.00 O ATOM 544 CB THR A 35 -5.095 -3.213 -10.758 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.075 -3.188 -11.734 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.658 -1.783 -10.753 1.00 0.00 C ATOM 0 H THR A 35 -3.103 -1.832 -9.551 1.00 0.00 H new ATOM 0 HA THR A 35 -5.086 -3.924 -8.701 1.00 0.00 H new ATOM 0 HB THR A 35 -5.894 -3.935 -10.927 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.221 -2.963 -11.309 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.157 -1.585 -11.701 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.373 -1.676 -9.937 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.843 -1.072 -10.617 1.00 0.00 H new ATOM 554 N TYR A 36 -3.561 -5.802 -9.359 1.00 0.00 N ATOM 555 CA TYR A 36 -2.536 -6.846 -9.597 1.00 0.00 C ATOM 556 C TYR A 36 -3.158 -8.101 -10.169 1.00 0.00 C ATOM 557 O TYR A 36 -4.342 -8.353 -9.997 1.00 0.00 O ATOM 558 CB TYR A 36 -1.845 -7.180 -8.254 1.00 0.00 C ATOM 559 CG TYR A 36 -2.888 -7.576 -7.202 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.754 -6.635 -6.677 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.963 -8.879 -6.751 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.677 -6.994 -5.719 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.887 -9.233 -5.791 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.751 -8.295 -5.269 1.00 0.00 C ATOM 565 OH TYR A 36 -5.680 -8.654 -4.312 1.00 0.00 O ATOM 0 H TYR A 36 -4.429 -6.124 -8.931 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.810 -6.468 -10.317 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.134 -7.994 -8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.276 -6.318 -7.906 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.707 -5.612 -7.020 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.294 -9.625 -7.153 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.348 -6.250 -5.317 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.934 -10.255 -5.445 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.592 -9.610 -4.113 1.00 0.00 H new ATOM 575 N GLY A 37 -2.347 -8.856 -10.864 1.00 0.00 N ATOM 576 CA GLY A 37 -2.847 -10.114 -11.473 1.00 0.00 C ATOM 577 C GLY A 37 -1.704 -10.849 -12.181 1.00 0.00 C ATOM 578 O GLY A 37 -0.826 -10.233 -12.756 1.00 0.00 O ATOM 0 H GLY A 37 -1.362 -8.652 -11.033 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.278 -10.753 -10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.642 -9.891 -12.185 1.00 0.00 H new ATOM 582 N GLU A 38 -1.726 -12.151 -12.106 1.00 0.00 N ATOM 583 CA GLU A 38 -0.667 -12.935 -12.759 1.00 0.00 C ATOM 584 C GLU A 38 -0.821 -12.895 -14.281 1.00 0.00 C ATOM 585 O GLU A 38 -1.763 -12.322 -14.795 1.00 0.00 O ATOM 586 CB GLU A 38 -0.792 -14.384 -12.266 1.00 0.00 C ATOM 587 CG GLU A 38 -1.905 -15.104 -13.037 1.00 0.00 C ATOM 588 CD GLU A 38 -3.121 -14.183 -13.163 1.00 0.00 C ATOM 589 OE1 GLU A 38 -3.637 -13.822 -12.119 1.00 0.00 O ATOM 590 OE2 GLU A 38 -3.464 -13.892 -14.297 1.00 0.00 O ATOM 0 H GLU A 38 -2.436 -12.697 -11.618 1.00 0.00 H new ATOM 0 HA GLU A 38 0.309 -12.519 -12.511 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.154 -14.907 -12.404 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.011 -14.396 -11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.549 -15.390 -14.027 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.184 -16.022 -12.520 1.00 0.00 H new ATOM 597 N THR A 39 0.106 -13.502 -14.976 1.00 0.00 N ATOM 598 CA THR A 39 0.016 -13.502 -16.460 1.00 0.00 C ATOM 599 C THR A 39 -1.229 -14.243 -16.932 1.00 0.00 C ATOM 600 O THR A 39 -1.562 -15.295 -16.420 1.00 0.00 O ATOM 601 CB THR A 39 1.255 -14.208 -17.026 1.00 0.00 C ATOM 602 OG1 THR A 39 2.333 -13.328 -16.777 1.00 0.00 O ATOM 603 CG2 THR A 39 1.173 -14.296 -18.560 1.00 0.00 C ATOM 0 H THR A 39 0.910 -13.991 -14.583 1.00 0.00 H new ATOM 0 HA THR A 39 -0.040 -12.471 -16.808 1.00 0.00 H new ATOM 0 HB THR A 39 1.350 -15.202 -16.588 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.163 -13.724 -17.116 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.060 -14.800 -18.943 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.284 -14.859 -18.845 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.116 -13.292 -18.980 1.00 0.00 H new ATOM 664 N VAL A 45 -6.624 -10.844 -10.871 1.00 0.00 N ATOM 665 CA VAL A 45 -6.982 -11.060 -9.451 1.00 0.00 C ATOM 666 C VAL A 45 -7.943 -10.006 -8.956 1.00 0.00 C ATOM 667 O VAL A 45 -9.130 -10.247 -8.855 1.00 0.00 O ATOM 668 CB VAL A 45 -5.709 -10.996 -8.602 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.090 -11.120 -7.128 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.783 -12.150 -8.992 1.00 0.00 C ATOM 0 HA VAL A 45 -7.462 -12.035 -9.366 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.196 -10.049 -8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.190 -11.076 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.756 -10.302 -6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.596 -12.071 -6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.876 -12.108 -8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.291 -13.099 -8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.522 -12.067 -10.047 1.00 0.00 H new ATOM 680 N GLN A 46 -7.426 -8.852 -8.655 1.00 0.00 N ATOM 681 CA GLN A 46 -8.330 -7.776 -8.159 1.00 0.00 C ATOM 682 C GLN A 46 -7.613 -6.444 -8.036 1.00 0.00 C ATOM 683 O GLN A 46 -6.547 -6.249 -8.586 1.00 0.00 O ATOM 684 CB GLN A 46 -8.838 -8.179 -6.764 1.00 0.00 C ATOM 685 CG GLN A 46 -10.348 -7.963 -6.698 1.00 0.00 C ATOM 686 CD GLN A 46 -10.859 -8.405 -5.325 1.00 0.00 C ATOM 687 OE1 GLN A 46 -11.730 -7.788 -4.747 1.00 0.00 O ATOM 688 NE2 GLN A 46 -10.344 -9.467 -4.770 1.00 0.00 N ATOM 0 H GLN A 46 -6.439 -8.607 -8.727 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.146 -7.660 -8.873 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.599 -9.224 -6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.340 -7.586 -5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.585 -6.913 -6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.844 -8.532 -7.484 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.612 -9.990 -5.251 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.673 -9.775 -3.855 1.00 0.00 H new ATOM 697 N GLU A 47 -8.222 -5.544 -7.303 1.00 0.00 N ATOM 698 CA GLU A 47 -7.609 -4.212 -7.119 1.00 0.00 C ATOM 699 C GLU A 47 -8.233 -3.488 -5.925 1.00 0.00 C ATOM 700 O GLU A 47 -9.238 -3.918 -5.396 1.00 0.00 O ATOM 701 CB GLU A 47 -7.872 -3.387 -8.389 1.00 0.00 C ATOM 702 CG GLU A 47 -9.375 -3.387 -8.690 1.00 0.00 C ATOM 703 CD GLU A 47 -9.632 -4.157 -9.989 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.713 -5.373 -9.891 1.00 0.00 O ATOM 705 OE2 GLU A 47 -9.736 -3.490 -11.004 1.00 0.00 O ATOM 0 H GLU A 47 -9.115 -5.683 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.541 -4.329 -6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.517 -2.366 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.321 -3.807 -9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.922 -3.847 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.739 -2.364 -8.782 1.00 0.00 H new ATOM 712 N PHE A 48 -7.624 -2.403 -5.522 1.00 0.00 N ATOM 713 CA PHE A 48 -8.173 -1.647 -4.366 1.00 0.00 C ATOM 714 C PHE A 48 -7.653 -0.215 -4.368 1.00 0.00 C ATOM 715 O PHE A 48 -6.493 0.022 -4.644 1.00 0.00 O ATOM 716 CB PHE A 48 -7.749 -2.345 -3.060 1.00 0.00 C ATOM 717 CG PHE A 48 -6.238 -2.592 -3.059 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.707 -3.707 -3.684 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.384 -1.721 -2.401 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.349 -3.946 -3.649 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.026 -1.965 -2.370 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.509 -3.076 -2.993 1.00 0.00 C ATOM 0 H PHE A 48 -6.779 -2.014 -5.941 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.260 -1.623 -4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.025 -1.729 -2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.280 -3.291 -2.956 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.360 -4.394 -4.202 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.784 -0.846 -1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.944 -4.819 -4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.368 -1.281 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.446 -3.265 -2.968 1.00 0.00 H new ATOM 732 N THR A 49 -8.528 0.716 -4.053 1.00 0.00 N ATOM 733 CA THR A 49 -8.108 2.146 -4.033 1.00 0.00 C ATOM 734 C THR A 49 -7.939 2.681 -2.618 1.00 0.00 C ATOM 735 O THR A 49 -8.392 2.091 -1.657 1.00 0.00 O ATOM 736 CB THR A 49 -9.190 2.971 -4.733 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.280 2.988 -3.836 1.00 0.00 O ATOM 738 CG2 THR A 49 -9.726 2.239 -5.973 1.00 0.00 C ATOM 0 H THR A 49 -9.504 0.544 -3.812 1.00 0.00 H new ATOM 0 HA THR A 49 -7.144 2.221 -4.537 1.00 0.00 H new ATOM 0 HB THR A 49 -8.788 3.945 -5.011 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.015 3.506 -4.225 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.494 2.847 -6.451 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.910 2.067 -6.675 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.155 1.283 -5.674 1.00 0.00 H new ATOM 746 N VAL A 50 -7.282 3.808 -2.530 1.00 0.00 N ATOM 747 CA VAL A 50 -7.049 4.436 -1.210 1.00 0.00 C ATOM 748 C VAL A 50 -7.023 5.977 -1.370 1.00 0.00 C ATOM 749 O VAL A 50 -6.690 6.473 -2.429 1.00 0.00 O ATOM 750 CB VAL A 50 -5.669 3.961 -0.701 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.703 2.446 -0.487 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.604 4.296 -1.747 1.00 0.00 C ATOM 0 H VAL A 50 -6.897 4.318 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.839 4.160 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.433 4.460 0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.731 2.107 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.468 2.200 0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.934 1.950 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.629 3.963 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.842 3.791 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.582 5.373 -1.912 1.00 0.00 H new ATOM 762 N PRO A 51 -7.381 6.722 -0.317 1.00 0.00 N ATOM 763 CA PRO A 51 -7.379 8.189 -0.394 1.00 0.00 C ATOM 764 C PRO A 51 -6.012 8.758 -0.820 1.00 0.00 C ATOM 765 O PRO A 51 -5.817 9.958 -0.816 1.00 0.00 O ATOM 766 CB PRO A 51 -7.709 8.661 1.039 1.00 0.00 C ATOM 767 CG PRO A 51 -7.990 7.390 1.899 1.00 0.00 C ATOM 768 CD PRO A 51 -7.832 6.170 0.977 1.00 0.00 C ATOM 0 HA PRO A 51 -8.093 8.533 -1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.878 9.230 1.456 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.577 9.321 1.035 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.295 7.331 2.736 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.995 7.426 2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.106 5.463 1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.774 5.632 0.870 1.00 0.00 H new ATOM 776 N GLY A 52 -5.095 7.896 -1.179 1.00 0.00 N ATOM 777 CA GLY A 52 -3.751 8.390 -1.604 1.00 0.00 C ATOM 778 C GLY A 52 -2.873 8.709 -0.387 1.00 0.00 C ATOM 779 O GLY A 52 -1.718 9.055 -0.530 1.00 0.00 O ATOM 0 H GLY A 52 -5.216 6.883 -1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.262 7.638 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.865 9.283 -2.219 1.00 0.00 H new ATOM 783 N SER A 53 -3.437 8.587 0.782 1.00 0.00 N ATOM 784 CA SER A 53 -2.646 8.881 2.001 1.00 0.00 C ATOM 785 C SER A 53 -1.723 7.716 2.351 1.00 0.00 C ATOM 786 O SER A 53 -0.689 7.903 2.961 1.00 0.00 O ATOM 787 CB SER A 53 -3.623 9.107 3.163 1.00 0.00 C ATOM 788 OG SER A 53 -3.454 10.478 3.497 1.00 0.00 O ATOM 0 H SER A 53 -4.402 8.299 0.942 1.00 0.00 H new ATOM 0 HA SER A 53 -2.032 9.764 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.650 8.892 2.868 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.393 8.459 4.009 1.00 0.00 H new ATOM 0 HG SER A 53 -4.050 10.710 4.239 1.00 0.00 H new ATOM 794 N LYS A 54 -2.114 6.533 1.959 1.00 0.00 N ATOM 795 CA LYS A 54 -1.272 5.345 2.261 1.00 0.00 C ATOM 796 C LYS A 54 -0.119 5.223 1.265 1.00 0.00 C ATOM 797 O LYS A 54 -0.325 4.899 0.112 1.00 0.00 O ATOM 798 CB LYS A 54 -2.151 4.083 2.145 1.00 0.00 C ATOM 799 CG LYS A 54 -2.427 3.511 3.544 1.00 0.00 C ATOM 800 CD LYS A 54 -3.293 4.492 4.342 1.00 0.00 C ATOM 801 CE LYS A 54 -3.969 3.736 5.486 1.00 0.00 C ATOM 802 NZ LYS A 54 -2.982 2.875 6.196 1.00 0.00 N ATOM 0 H LYS A 54 -2.975 6.341 1.446 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.860 5.452 3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.091 4.327 1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.651 3.336 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.933 2.549 3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.487 3.333 4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.680 5.302 4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.043 4.946 3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.413 4.444 6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.781 3.123 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.351 2.626 7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.820 2.007 5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.085 3.390 6.302 1.00 0.00 H new ATOM 816 N SER A 55 1.078 5.487 1.726 1.00 0.00 N ATOM 817 CA SER A 55 2.249 5.388 0.815 1.00 0.00 C ATOM 818 C SER A 55 2.698 3.940 0.684 1.00 0.00 C ATOM 819 O SER A 55 3.393 3.575 -0.252 1.00 0.00 O ATOM 820 CB SER A 55 3.398 6.211 1.411 1.00 0.00 C ATOM 821 OG SER A 55 2.765 7.375 1.918 1.00 0.00 O ATOM 0 H SER A 55 1.290 5.764 2.685 1.00 0.00 H new ATOM 0 HA SER A 55 1.973 5.763 -0.170 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.914 5.663 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.143 6.460 0.656 1.00 0.00 H new ATOM 0 HG SER A 55 3.437 7.962 2.323 1.00 0.00 H new ATOM 827 N THR A 56 2.294 3.148 1.635 1.00 0.00 N ATOM 828 CA THR A 56 2.665 1.709 1.621 1.00 0.00 C ATOM 829 C THR A 56 1.442 0.864 1.953 1.00 0.00 C ATOM 830 O THR A 56 0.569 1.301 2.678 1.00 0.00 O ATOM 831 CB THR A 56 3.745 1.476 2.687 1.00 0.00 C ATOM 832 OG1 THR A 56 3.182 1.930 3.901 1.00 0.00 O ATOM 833 CG2 THR A 56 4.951 2.400 2.452 1.00 0.00 C ATOM 0 H THR A 56 1.719 3.438 2.426 1.00 0.00 H new ATOM 0 HA THR A 56 3.038 1.429 0.636 1.00 0.00 H new ATOM 0 HB THR A 56 4.054 0.431 2.675 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.828 1.806 4.628 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.704 2.218 3.219 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.378 2.198 1.469 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.628 3.440 2.501 1.00 0.00 H new ATOM 841 N ALA A 57 1.391 -0.331 1.428 1.00 0.00 N ATOM 842 CA ALA A 57 0.216 -1.186 1.724 1.00 0.00 C ATOM 843 C ALA A 57 0.548 -2.667 1.619 1.00 0.00 C ATOM 844 O ALA A 57 1.595 -3.044 1.121 1.00 0.00 O ATOM 845 CB ALA A 57 -0.880 -0.858 0.700 1.00 0.00 C ATOM 0 H ALA A 57 2.099 -0.742 0.819 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.108 -0.986 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.757 -1.475 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.151 0.195 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.511 -1.061 -0.305 1.00 0.00 H new ATOM 851 N THR A 58 -0.368 -3.477 2.096 1.00 0.00 N ATOM 852 CA THR A 58 -0.163 -4.946 2.053 1.00 0.00 C ATOM 853 C THR A 58 -1.224 -5.605 1.180 1.00 0.00 C ATOM 854 O THR A 58 -2.281 -5.045 0.953 1.00 0.00 O ATOM 855 CB THR A 58 -0.297 -5.488 3.482 1.00 0.00 C ATOM 856 OG1 THR A 58 0.720 -4.844 4.222 1.00 0.00 O ATOM 857 CG2 THR A 58 0.065 -6.980 3.543 1.00 0.00 C ATOM 0 H THR A 58 -1.249 -3.176 2.513 1.00 0.00 H new ATOM 0 HA THR A 58 0.821 -5.164 1.639 1.00 0.00 H new ATOM 0 HB THR A 58 -1.314 -5.330 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.689 -5.147 5.153 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.039 -7.338 4.567 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.604 -7.544 2.892 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.095 -7.118 3.213 1.00 0.00 H new ATOM 865 N ILE A 59 -0.924 -6.782 0.704 1.00 0.00 N ATOM 866 CA ILE A 59 -1.901 -7.497 -0.158 1.00 0.00 C ATOM 867 C ILE A 59 -1.865 -8.994 0.127 1.00 0.00 C ATOM 868 O ILE A 59 -0.870 -9.517 0.588 1.00 0.00 O ATOM 869 CB ILE A 59 -1.531 -7.260 -1.633 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.087 -5.820 -1.843 1.00 0.00 C ATOM 871 CG2 ILE A 59 -2.778 -7.515 -2.503 1.00 0.00 C ATOM 872 CD1 ILE A 59 -0.794 -5.602 -3.333 1.00 0.00 C ATOM 0 H ILE A 59 -0.048 -7.276 0.875 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.902 -7.120 0.050 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.718 -7.933 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.864 -5.133 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.197 -5.610 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.530 -7.351 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.113 -8.543 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.574 -6.832 -2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.475 -4.572 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.003 -6.281 -3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.696 -5.797 -3.914 1.00 0.00 H new ATOM 884 N SER A 60 -2.957 -9.652 -0.153 1.00 0.00 N ATOM 885 CA SER A 60 -3.021 -11.119 0.090 1.00 0.00 C ATOM 886 C SER A 60 -3.751 -11.828 -1.049 1.00 0.00 C ATOM 887 O SER A 60 -4.786 -11.376 -1.500 1.00 0.00 O ATOM 888 CB SER A 60 -3.798 -11.351 1.393 1.00 0.00 C ATOM 889 OG SER A 60 -2.861 -11.986 2.251 1.00 0.00 O ATOM 0 H SER A 60 -3.805 -9.237 -0.539 1.00 0.00 H new ATOM 0 HA SER A 60 -2.008 -11.517 0.155 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.153 -10.412 1.817 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.674 -11.978 1.228 1.00 0.00 H new ATOM 0 HG SER A 60 -2.448 -11.317 2.836 1.00 0.00 H new ATOM 895 N GLY A 61 -3.195 -12.933 -1.489 1.00 0.00 N ATOM 896 CA GLY A 61 -3.836 -13.700 -2.604 1.00 0.00 C ATOM 897 C GLY A 61 -2.801 -14.020 -3.686 1.00 0.00 C ATOM 898 O GLY A 61 -3.067 -13.879 -4.862 1.00 0.00 O ATOM 0 H GLY A 61 -2.330 -13.334 -1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.268 -14.624 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.653 -13.120 -3.032 1.00 0.00 H new ATOM 902 N LEU A 62 -1.643 -14.451 -3.256 1.00 0.00 N ATOM 903 CA LEU A 62 -0.569 -14.787 -4.231 1.00 0.00 C ATOM 904 C LEU A 62 -0.365 -16.284 -4.341 1.00 0.00 C ATOM 905 O LEU A 62 -0.975 -17.056 -3.626 1.00 0.00 O ATOM 906 CB LEU A 62 0.755 -14.205 -3.712 1.00 0.00 C ATOM 907 CG LEU A 62 0.844 -12.706 -4.018 1.00 0.00 C ATOM 908 CD1 LEU A 62 -0.029 -11.922 -3.034 1.00 0.00 C ATOM 909 CD2 LEU A 62 2.295 -12.265 -3.853 1.00 0.00 C ATOM 0 H LEU A 62 -1.398 -14.584 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.859 -14.382 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.833 -14.367 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.593 -14.726 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 62 0.499 -12.517 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.038 -10.857 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.065 -12.247 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.317 -12.103 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.378 -11.199 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.619 -12.456 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.926 -12.824 -4.544 1.00 0.00 H new ATOM 921 N LYS A 63 0.505 -16.658 -5.248 1.00 0.00 N ATOM 922 CA LYS A 63 0.802 -18.088 -5.456 1.00 0.00 C ATOM 923 C LYS A 63 2.303 -18.322 -5.126 1.00 0.00 C ATOM 924 O LYS A 63 3.127 -17.488 -5.446 1.00 0.00 O ATOM 925 CB LYS A 63 0.550 -18.427 -6.944 1.00 0.00 C ATOM 926 CG LYS A 63 -0.741 -19.246 -7.077 1.00 0.00 C ATOM 927 CD LYS A 63 -1.937 -18.355 -6.729 1.00 0.00 C ATOM 928 CE LYS A 63 -2.775 -18.114 -7.987 1.00 0.00 C ATOM 929 NZ LYS A 63 -3.348 -19.394 -8.487 1.00 0.00 N ATOM 0 H LYS A 63 1.021 -16.019 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 63 0.175 -18.714 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.472 -17.510 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.392 -18.990 -7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.840 -19.629 -8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.709 -20.109 -6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.545 -18.829 -5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.591 -17.405 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.578 -17.411 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.157 -17.659 -8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.227 -19.201 -9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.665 -19.856 -9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.553 -20.020 -7.682 1.00 0.00 H new ATOM 943 N PRO A 64 2.645 -19.442 -4.495 1.00 0.00 N ATOM 944 CA PRO A 64 4.043 -19.713 -4.156 1.00 0.00 C ATOM 945 C PRO A 64 4.963 -19.671 -5.382 1.00 0.00 C ATOM 946 O PRO A 64 5.031 -20.614 -6.148 1.00 0.00 O ATOM 947 CB PRO A 64 4.038 -21.136 -3.557 1.00 0.00 C ATOM 948 CG PRO A 64 2.565 -21.642 -3.575 1.00 0.00 C ATOM 949 CD PRO A 64 1.694 -20.490 -4.098 1.00 0.00 C ATOM 0 HA PRO A 64 4.425 -18.957 -3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.679 -21.799 -4.138 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.428 -21.126 -2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.467 -22.519 -4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.249 -21.940 -2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.084 -20.809 -4.943 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.011 -20.131 -3.328 1.00 0.00 H new ATOM 957 N GLY A 65 5.651 -18.566 -5.546 1.00 0.00 N ATOM 958 CA GLY A 65 6.576 -18.433 -6.709 1.00 0.00 C ATOM 959 C GLY A 65 5.811 -18.334 -8.027 1.00 0.00 C ATOM 960 O GLY A 65 5.446 -19.335 -8.612 1.00 0.00 O ATOM 0 H GLY A 65 5.611 -17.756 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.197 -17.547 -6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.247 -19.291 -6.741 1.00 0.00 H new ATOM 964 N VAL A 66 5.583 -17.128 -8.468 1.00 0.00 N ATOM 965 CA VAL A 66 4.849 -16.953 -9.742 1.00 0.00 C ATOM 966 C VAL A 66 5.085 -15.564 -10.333 1.00 0.00 C ATOM 967 O VAL A 66 5.472 -14.642 -9.634 1.00 0.00 O ATOM 968 CB VAL A 66 3.347 -17.113 -9.452 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.772 -15.766 -8.987 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.633 -17.555 -10.733 1.00 0.00 C ATOM 0 H VAL A 66 5.872 -16.267 -8.004 1.00 0.00 H new ATOM 0 HA VAL A 66 5.202 -17.696 -10.458 1.00 0.00 H new ATOM 0 HB VAL A 66 3.200 -17.860 -8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.707 -15.877 -8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.286 -15.444 -8.081 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.915 -15.020 -9.769 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.567 -17.670 -10.534 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.778 -16.803 -11.508 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.045 -18.507 -11.069 1.00 0.00 H new ATOM 980 N ASP A 67 4.856 -15.440 -11.613 1.00 0.00 N ATOM 981 CA ASP A 67 5.059 -14.125 -12.260 1.00 0.00 C ATOM 982 C ASP A 67 3.933 -13.195 -11.846 1.00 0.00 C ATOM 983 O ASP A 67 2.819 -13.638 -11.647 1.00 0.00 O ATOM 984 CB ASP A 67 5.020 -14.314 -13.786 1.00 0.00 C ATOM 985 CG ASP A 67 6.123 -13.469 -14.428 1.00 0.00 C ATOM 986 OD1 ASP A 67 5.919 -12.267 -14.487 1.00 0.00 O ATOM 987 OD2 ASP A 67 7.107 -14.074 -14.824 1.00 0.00 O ATOM 0 H ASP A 67 4.540 -16.189 -12.229 1.00 0.00 H new ATOM 0 HA ASP A 67 6.018 -13.702 -11.961 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.158 -15.366 -14.038 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.046 -14.019 -14.176 1.00 0.00 H new ATOM 992 N TYR A 68 4.225 -11.926 -11.716 1.00 0.00 N ATOM 993 CA TYR A 68 3.156 -10.989 -11.312 1.00 0.00 C ATOM 994 C TYR A 68 3.298 -9.626 -11.972 1.00 0.00 C ATOM 995 O TYR A 68 4.392 -9.147 -12.198 1.00 0.00 O ATOM 996 CB TYR A 68 3.261 -10.808 -9.800 1.00 0.00 C ATOM 997 CG TYR A 68 2.026 -11.418 -9.129 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.761 -10.967 -9.445 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.161 -12.438 -8.205 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.351 -11.524 -8.848 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.050 -12.995 -7.610 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.216 -12.544 -7.925 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.328 -13.097 -7.322 1.00 0.00 O ATOM 0 H TYR A 68 5.144 -11.511 -11.871 1.00 0.00 H new ATOM 0 HA TYR A 68 2.195 -11.402 -11.619 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.166 -11.288 -9.427 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.337 -9.749 -9.554 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.640 -10.172 -10.165 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.145 -12.801 -7.948 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.335 -11.160 -9.104 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.171 -13.792 -6.891 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.287 -14.074 -7.393 1.00 0.00 H new ATOM 1013 N THR A 69 2.166 -9.031 -12.269 1.00 0.00 N ATOM 1014 CA THR A 69 2.165 -7.693 -12.914 1.00 0.00 C ATOM 1015 C THR A 69 1.325 -6.731 -12.083 1.00 0.00 C ATOM 1016 O THR A 69 0.176 -7.012 -11.791 1.00 0.00 O ATOM 1017 CB THR A 69 1.538 -7.822 -14.306 1.00 0.00 C ATOM 1018 OG1 THR A 69 2.215 -8.895 -14.925 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.875 -6.602 -15.173 1.00 0.00 C ATOM 0 H THR A 69 1.242 -9.423 -12.088 1.00 0.00 H new ATOM 0 HA THR A 69 3.185 -7.317 -12.990 1.00 0.00 H new ATOM 0 HB THR A 69 0.458 -7.938 -14.213 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.856 -9.032 -15.827 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.419 -6.717 -16.156 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.490 -5.700 -14.697 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.956 -6.521 -15.282 1.00 0.00 H new ATOM 1027 N ILE A 70 1.912 -5.611 -11.716 1.00 0.00 N ATOM 1028 CA ILE A 70 1.156 -4.615 -10.897 1.00 0.00 C ATOM 1029 C ILE A 70 0.867 -3.349 -11.698 1.00 0.00 C ATOM 1030 O ILE A 70 1.624 -2.977 -12.578 1.00 0.00 O ATOM 1031 CB ILE A 70 2.011 -4.255 -9.677 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.236 -3.314 -8.752 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.283 -3.547 -10.168 1.00 0.00 C ATOM 1034 CD1 ILE A 70 2.110 -2.945 -7.552 1.00 0.00 C ATOM 0 H ILE A 70 2.871 -5.350 -11.947 1.00 0.00 H new ATOM 0 HA ILE A 70 0.203 -5.049 -10.595 1.00 0.00 H new ATOM 0 HB ILE A 70 2.266 -5.161 -9.126 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.944 -2.414 -9.293 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.318 -3.794 -8.413 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.905 -3.283 -9.313 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.838 -4.213 -10.829 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.009 -2.642 -10.711 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.559 -2.275 -6.893 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.380 -3.849 -7.007 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.015 -2.448 -7.900 1.00 0.00 H new ATOM 1046 N THR A 71 -0.228 -2.709 -11.370 1.00 0.00 N ATOM 1047 CA THR A 71 -0.603 -1.468 -12.087 1.00 0.00 C ATOM 1048 C THR A 71 -1.143 -0.422 -11.115 1.00 0.00 C ATOM 1049 O THR A 71 -2.077 -0.691 -10.390 1.00 0.00 O ATOM 1050 CB THR A 71 -1.718 -1.826 -13.072 1.00 0.00 C ATOM 1051 OG1 THR A 71 -1.918 -3.217 -12.912 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.248 -1.670 -14.521 1.00 0.00 C ATOM 0 H THR A 71 -0.874 -2.998 -10.635 1.00 0.00 H new ATOM 0 HA THR A 71 0.273 -1.060 -12.591 1.00 0.00 H new ATOM 0 HB THR A 71 -2.588 -1.196 -12.888 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.877 -3.416 -12.953 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.062 -1.931 -15.198 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.947 -0.637 -14.697 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.400 -2.330 -14.701 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.552 0.757 -11.121 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.039 1.825 -10.190 1.00 0.00 C ATOM 1062 C VAL A 72 -1.635 2.964 -10.991 1.00 0.00 C ATOM 1063 O VAL A 72 -1.033 3.454 -11.940 1.00 0.00 O ATOM 1064 CB VAL A 72 0.143 2.354 -9.329 1.00 0.00 C ATOM 1065 CG1 VAL A 72 1.430 2.267 -10.127 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -0.107 3.810 -8.942 1.00 0.00 C ATOM 0 H VAL A 72 0.231 1.019 -11.720 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.801 1.407 -9.533 1.00 0.00 H new ATOM 0 HB VAL A 72 0.225 1.747 -8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.258 2.638 -9.523 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.618 1.229 -10.402 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.340 2.871 -11.030 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.725 4.174 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.194 4.416 -9.844 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.030 3.880 -8.367 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.818 3.353 -10.599 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.508 4.454 -11.298 1.00 0.00 C ATOM 1078 C TYR A 73 -3.660 5.658 -10.382 1.00 0.00 C ATOM 1079 O TYR A 73 -4.470 5.650 -9.473 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.910 3.961 -11.680 1.00 0.00 C ATOM 1081 CG TYR A 73 -5.097 4.018 -13.196 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -5.439 5.203 -13.813 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -4.974 2.875 -13.963 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -5.661 5.246 -15.173 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.195 2.919 -15.324 1.00 0.00 C ATOM 1086 CZ TYR A 73 -5.541 4.105 -15.940 1.00 0.00 C ATOM 1087 OH TYR A 73 -5.770 4.147 -17.301 1.00 0.00 O ATOM 0 H TYR A 73 -3.333 2.947 -9.818 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.930 4.746 -12.174 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.052 2.940 -11.327 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.665 4.576 -11.190 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.534 6.105 -13.226 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.703 1.941 -13.494 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.931 6.181 -15.642 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.097 2.019 -15.912 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.640 3.254 -17.682 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.867 6.662 -10.620 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.956 7.872 -9.775 1.00 0.00 C ATOM 1099 C ALA A 74 -3.893 8.870 -10.428 1.00 0.00 C ATOM 1100 O ALA A 74 -3.757 9.160 -11.601 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.559 8.495 -9.663 1.00 0.00 C ATOM 0 H ALA A 74 -2.166 6.694 -11.360 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.332 7.610 -8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.608 9.389 -9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.875 7.776 -9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.199 8.762 -10.657 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.839 9.372 -9.670 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.790 10.355 -10.255 1.00 0.00 C ATOM 1109 C VAL A 75 -6.030 11.545 -9.333 1.00 0.00 C ATOM 1110 O VAL A 75 -6.317 11.391 -8.148 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.120 9.642 -10.503 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.217 10.684 -10.737 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.994 8.757 -11.748 1.00 0.00 C ATOM 0 H VAL A 75 -4.989 9.145 -8.687 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.361 10.739 -11.181 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.373 9.029 -9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.167 10.179 -10.914 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.304 11.324 -9.859 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.962 11.292 -11.605 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.940 8.247 -11.929 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.745 9.375 -12.610 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.207 8.019 -11.592 1.00 0.00 H new ATOM 1123 N THR A 76 -5.911 12.717 -9.912 1.00 0.00 N ATOM 1124 CA THR A 76 -6.117 13.968 -9.145 1.00 0.00 C ATOM 1125 C THR A 76 -7.108 14.863 -9.883 1.00 0.00 C ATOM 1126 O THR A 76 -8.304 14.709 -9.759 1.00 0.00 O ATOM 1127 CB THR A 76 -4.769 14.700 -9.039 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.947 13.862 -8.251 1.00 0.00 O ATOM 1129 CG2 THR A 76 -4.911 15.988 -8.216 1.00 0.00 C ATOM 0 H THR A 76 -5.677 12.852 -10.896 1.00 0.00 H new ATOM 0 HA THR A 76 -6.506 13.736 -8.154 1.00 0.00 H new ATOM 0 HB THR A 76 -4.391 14.924 -10.037 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.011 13.978 -8.517 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.945 16.489 -8.155 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.632 16.649 -8.696 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.257 15.742 -7.212 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.231 6.770 -15.943 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.061 5.453 -15.321 1.00 0.00 C ATOM 1268 C PRO A 87 0.331 4.888 -15.586 1.00 0.00 C ATOM 1269 O PRO A 87 1.009 5.314 -16.502 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.096 4.553 -16.026 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.617 5.344 -17.265 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.148 6.799 -17.097 1.00 0.00 C ATOM 0 HA PRO A 87 -1.189 5.510 -14.240 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.642 3.610 -16.333 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.917 4.307 -15.352 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.226 4.917 -18.188 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.704 5.293 -17.326 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.643 7.158 -17.994 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.990 7.467 -16.916 1.00 0.00 H new ATOM 1280 N ILE A 88 0.739 3.940 -14.781 1.00 0.00 N ATOM 1281 CA ILE A 88 2.084 3.348 -14.992 1.00 0.00 C ATOM 1282 C ILE A 88 2.084 1.897 -14.537 1.00 0.00 C ATOM 1283 O ILE A 88 1.663 1.589 -13.436 1.00 0.00 O ATOM 1284 CB ILE A 88 3.119 4.152 -14.196 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.517 3.590 -14.452 1.00 0.00 C ATOM 1286 CG2 ILE A 88 2.798 4.041 -12.699 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.560 4.486 -13.773 1.00 0.00 C ATOM 0 H ILE A 88 0.205 3.558 -14.000 1.00 0.00 H new ATOM 0 HA ILE A 88 2.339 3.382 -16.051 1.00 0.00 H new ATOM 0 HB ILE A 88 3.086 5.196 -14.508 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.588 2.573 -14.065 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.709 3.538 -15.524 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.530 4.611 -12.127 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.801 4.439 -12.510 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.835 2.995 -12.396 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.557 4.086 -13.955 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.494 5.495 -14.181 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.371 4.515 -12.700 1.00 0.00 H new ATOM 1299 N SER A 89 2.543 1.028 -15.407 1.00 0.00 N ATOM 1300 CA SER A 89 2.582 -0.421 -15.062 1.00 0.00 C ATOM 1301 C SER A 89 3.996 -0.981 -15.135 1.00 0.00 C ATOM 1302 O SER A 89 4.820 -0.503 -15.886 1.00 0.00 O ATOM 1303 CB SER A 89 1.730 -1.166 -16.095 1.00 0.00 C ATOM 1304 OG SER A 89 2.423 -0.963 -17.318 1.00 0.00 O ATOM 0 H SER A 89 2.890 1.263 -16.337 1.00 0.00 H new ATOM 0 HA SER A 89 2.212 -0.547 -14.044 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.646 -2.226 -15.854 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.716 -0.768 -16.139 1.00 0.00 H new ATOM 0 HG SER A 89 1.943 -1.413 -18.044 1.00 0.00 H new ATOM 1310 N ILE A 90 4.242 -1.996 -14.352 1.00 0.00 N ATOM 1311 CA ILE A 90 5.592 -2.617 -14.352 1.00 0.00 C ATOM 1312 C ILE A 90 5.490 -4.108 -14.043 1.00 0.00 C ATOM 1313 O ILE A 90 4.675 -4.526 -13.236 1.00 0.00 O ATOM 1314 CB ILE A 90 6.463 -1.953 -13.272 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.601 -1.459 -12.118 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.194 -0.749 -13.896 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.419 -1.532 -10.827 1.00 0.00 C ATOM 0 H ILE A 90 3.567 -2.419 -13.715 1.00 0.00 H new ATOM 0 HA ILE A 90 6.037 -2.478 -15.337 1.00 0.00 H new ATOM 0 HB ILE A 90 7.177 -2.685 -12.893 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.275 -0.435 -12.301 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.702 -2.069 -12.030 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.815 -0.269 -13.140 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.822 -1.091 -14.718 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.462 -0.034 -14.272 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.813 -1.181 -9.992 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.723 -2.563 -10.646 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.305 -0.904 -10.922 1.00 0.00 H new ATOM 1329 N ASN A 91 6.314 -4.886 -14.694 1.00 0.00 N ATOM 1330 CA ASN A 91 6.279 -6.343 -14.450 1.00 0.00 C ATOM 1331 C ASN A 91 7.280 -6.729 -13.374 1.00 0.00 C ATOM 1332 O ASN A 91 8.259 -6.041 -13.160 1.00 0.00 O ATOM 1333 CB ASN A 91 6.657 -7.055 -15.753 1.00 0.00 C ATOM 1334 CG ASN A 91 7.459 -6.100 -16.636 1.00 0.00 C ATOM 1335 OD1 ASN A 91 6.949 -5.542 -17.588 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.715 -5.886 -16.359 1.00 0.00 N ATOM 0 H ASN A 91 7.002 -4.571 -15.378 1.00 0.00 H new ATOM 0 HA ASN A 91 5.281 -6.630 -14.120 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.244 -7.948 -15.536 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.758 -7.384 -16.275 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.265 -5.253 -16.940 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.148 -6.352 -15.561 1.00 0.00 H new ATOM 1343 N TYR A 92 7.023 -7.818 -12.710 1.00 0.00 N ATOM 1344 CA TYR A 92 7.958 -8.251 -11.648 1.00 0.00 C ATOM 1345 C TYR A 92 7.711 -9.697 -11.258 1.00 0.00 C ATOM 1346 O TYR A 92 6.588 -10.097 -11.022 1.00 0.00 O ATOM 1347 CB TYR A 92 7.728 -7.368 -10.418 1.00 0.00 C ATOM 1348 CG TYR A 92 8.886 -7.551 -9.435 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.157 -7.132 -9.766 1.00 0.00 C ATOM 1350 CD2 TYR A 92 8.670 -8.117 -8.194 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.197 -7.274 -8.870 1.00 0.00 C ATOM 1352 CE2 TYR A 92 9.711 -8.259 -7.299 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.981 -7.840 -7.629 1.00 0.00 C ATOM 1354 OH TYR A 92 12.018 -7.977 -6.730 1.00 0.00 O ATOM 0 H TYR A 92 6.213 -8.420 -12.857 1.00 0.00 H new ATOM 0 HA TYR A 92 8.979 -8.161 -12.018 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.652 -6.322 -10.717 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.785 -7.632 -9.939 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.340 -6.689 -10.734 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.680 -8.451 -7.922 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.187 -6.940 -9.141 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.528 -8.703 -6.331 1.00 0.00 H new ATOM 0 HH TYR A 92 11.685 -8.394 -5.908 1.00 0.00 H new ATOM 1364 N ARG A 93 8.764 -10.457 -11.199 1.00 0.00 N ATOM 1365 CA ARG A 93 8.609 -11.878 -10.825 1.00 0.00 C ATOM 1366 C ARG A 93 8.717 -12.038 -9.317 1.00 0.00 C ATOM 1367 O ARG A 93 9.750 -11.754 -8.740 1.00 0.00 O ATOM 1368 CB ARG A 93 9.733 -12.681 -11.494 1.00 0.00 C ATOM 1369 CG ARG A 93 9.524 -12.664 -13.011 1.00 0.00 C ATOM 1370 CD ARG A 93 10.855 -12.951 -13.716 1.00 0.00 C ATOM 1371 NE ARG A 93 11.473 -11.659 -14.126 1.00 0.00 N ATOM 1372 CZ ARG A 93 12.750 -11.473 -13.945 1.00 0.00 C ATOM 1373 NH1 ARG A 93 13.184 -11.219 -12.743 1.00 0.00 N ATOM 1374 NH2 ARG A 93 13.552 -11.550 -14.974 1.00 0.00 N ATOM 0 H ARG A 93 9.719 -10.155 -11.393 1.00 0.00 H new ATOM 0 HA ARG A 93 7.632 -12.236 -11.151 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.703 -12.252 -11.243 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.733 -13.707 -11.126 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.782 -13.411 -13.295 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.136 -11.695 -13.324 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.525 -13.494 -13.050 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.691 -13.584 -14.588 1.00 0.00 H new ATOM 0 HE ARG A 93 10.901 -10.926 -14.545 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.528 -11.169 -11.964 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.180 -11.070 -12.581 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.175 -11.753 -15.900 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.554 -11.407 -14.851 1.00 0.00 H new ATOM 1388 N THR A 94 7.648 -12.495 -8.707 1.00 0.00 N ATOM 1389 CA THR A 94 7.664 -12.681 -7.229 1.00 0.00 C ATOM 1390 C THR A 94 7.530 -14.152 -6.874 1.00 0.00 C ATOM 1391 O THR A 94 7.381 -14.921 -7.807 1.00 0.00 O ATOM 1392 CB THR A 94 6.473 -11.921 -6.631 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.796 -11.358 -7.737 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.947 -10.707 -5.809 1.00 0.00 C ATOM 1395 OXT THR A 94 7.582 -14.429 -5.687 1.00 0.00 O ATOM 0 H THR A 94 6.773 -12.744 -9.169 1.00 0.00 H new ATOM 0 HA THR A 94 8.607 -12.306 -6.832 1.00 0.00 H new ATOM 0 HB THR A 94 5.883 -12.594 -6.009 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.016 -10.855 -7.422 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.082 -10.187 -5.397 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.588 -11.046 -4.995 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.506 -10.028 -6.452 1.00 0.00 H new