USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 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 Single : A 12 ASN :FLIP amide:sc= -0.446 F(o=-1.3,f=-0.45) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.0511 (180deg=-0.332) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -104:sc= -0.565 (180deg=-0.73) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.675 USER MOD Single : A 54 ASN : amide:sc= -0.783 K(o=-0.78,f=-6.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.00841 USER MOD Single : A 61 SER OG : rot -137:sc= -1.9! USER MOD Single : A 68 MET CE :methyl -111:sc= -1.73 (180deg=-3.74!) USER MOD Single : A 69 ASN : amide:sc= -0.505 K(o=-0.51,f=-3.3!) USER MOD Single : A 71 GLN : amide:sc=-0.00319 X(o=-0.0032,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN :FLIP amide:sc= 0.847 F(o=-0.065,f=0.85) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : A 81 SER OG : rot 29:sc= 0.182 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.741 7.785 0.865 1.00 0.00 N ATOM 60 CA GLY A 7 -0.727 7.104 1.648 1.00 0.00 C ATOM 61 C GLY A 7 -1.312 6.360 2.833 1.00 0.00 C ATOM 62 O GLY A 7 -2.288 6.808 3.435 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.191 6.401 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.002 7.832 2.004 1.00 0.00 H new ATOM 66 N ILE A 8 -0.715 5.221 3.167 1.00 0.00 N ATOM 67 CA ILE A 8 -1.183 4.414 4.287 1.00 0.00 C ATOM 68 C ILE A 8 -0.013 3.842 5.079 1.00 0.00 C ATOM 69 O ILE A 8 1.027 3.503 4.514 1.00 0.00 O ATOM 70 CB ILE A 8 -2.081 3.256 3.810 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.304 2.335 2.867 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.325 3.799 3.124 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.823 0.915 2.847 1.00 0.00 C ATOM 0 H ILE A 8 0.093 4.836 2.678 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.766 5.074 4.930 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.393 2.676 4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.346 2.743 1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.255 2.326 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.949 2.969 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.886 4.418 3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.033 4.400 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.225 0.319 2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.755 0.489 3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.863 0.912 2.521 1.00 0.00 H new ATOM 85 N PHE A 9 -0.190 3.734 6.392 1.00 0.00 N ATOM 86 CA PHE A 9 0.851 3.202 7.263 1.00 0.00 C ATOM 87 C PHE A 9 0.565 1.747 7.626 1.00 0.00 C ATOM 88 O PHE A 9 -0.564 1.391 7.966 1.00 0.00 O ATOM 89 CB PHE A 9 0.961 4.044 8.536 1.00 0.00 C ATOM 90 CG PHE A 9 1.732 3.371 9.635 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.106 3.223 9.545 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.082 2.887 10.759 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.819 2.605 10.555 1.00 0.00 C ATOM 94 CE2 PHE A 9 1.789 2.268 11.773 1.00 0.00 C ATOM 95 CZ PHE A 9 3.159 2.126 11.670 1.00 0.00 C ATOM 0 H PHE A 9 -1.045 4.008 6.876 1.00 0.00 H new ATOM 0 HA PHE A 9 1.798 3.245 6.724 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.441 4.992 8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.041 4.277 8.896 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.627 3.595 8.675 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.011 2.995 10.844 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.890 2.497 10.473 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.271 1.896 12.644 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.713 1.641 12.460 1.00 0.00 H new ATOM 105 N ILE A 10 1.595 0.912 7.550 1.00 0.00 N ATOM 106 CA ILE A 10 1.456 -0.503 7.870 1.00 0.00 C ATOM 107 C ILE A 10 2.575 -0.971 8.794 1.00 0.00 C ATOM 108 O ILE A 10 3.726 -0.561 8.649 1.00 0.00 O ATOM 109 CB ILE A 10 1.459 -1.372 6.598 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.383 -0.889 5.623 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.240 -2.834 6.955 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.732 -1.131 4.171 1.00 0.00 C ATOM 0 H ILE A 10 2.535 1.191 7.270 1.00 0.00 H new ATOM 0 HA ILE A 10 0.498 -0.618 8.376 1.00 0.00 H new ATOM 0 HB ILE A 10 2.431 -1.279 6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.556 -1.393 5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.218 0.177 5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.245 -3.435 6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.038 -3.170 7.617 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.280 -2.946 7.459 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.075 -0.764 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.654 -0.604 3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.869 -2.199 4.003 1.00 0.00 H new ATOM 124 N GLY A 11 2.230 -1.835 9.744 1.00 0.00 N ATOM 125 CA GLY A 11 3.217 -2.346 10.677 1.00 0.00 C ATOM 126 C GLY A 11 3.055 -3.830 10.938 1.00 0.00 C ATOM 127 O GLY A 11 1.999 -4.402 10.670 1.00 0.00 O ATOM 0 H GLY A 11 1.284 -2.190 9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.216 -2.156 10.284 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.137 -1.804 11.619 1.00 0.00 H new ATOM 131 N ASN A 12 4.104 -4.456 11.460 1.00 0.00 N ATOM 132 CA ASN A 12 4.074 -5.884 11.755 1.00 0.00 C ATOM 133 C ASN A 12 4.157 -6.707 10.472 1.00 0.00 C ATOM 134 O ASN A 12 3.383 -7.643 10.270 1.00 0.00 O ATOM 135 CB ASN A 12 2.798 -6.241 12.520 1.00 0.00 C ATOM 136 CG ASN A 12 2.970 -7.473 13.388 1.00 0.00 C ATOM 137 OD1 ASN A 12 2.722 -8.643 12.811 1.00 0.00 O flip ATOM 138 ND2 ASN A 12 3.322 -7.373 14.564 1.00 0.00 N flip ATOM 0 H ASN A 12 4.986 -3.997 11.688 1.00 0.00 H new ATOM 0 HA ASN A 12 4.940 -6.120 12.374 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.504 -5.398 13.145 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.988 -6.410 11.811 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.502 -6.453 14.966 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.434 -8.210 15.136 1.00 0.00 H new ATOM 145 N LEU A 13 5.102 -6.351 9.608 1.00 0.00 N ATOM 146 CA LEU A 13 5.288 -7.056 8.345 1.00 0.00 C ATOM 147 C LEU A 13 6.382 -8.112 8.466 1.00 0.00 C ATOM 148 O LEU A 13 7.512 -7.808 8.851 1.00 0.00 O ATOM 149 CB LEU A 13 5.640 -6.066 7.233 1.00 0.00 C ATOM 150 CG LEU A 13 4.465 -5.311 6.610 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.957 -4.089 5.851 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.669 -6.227 5.692 1.00 0.00 C ATOM 0 H LEU A 13 5.751 -5.579 9.759 1.00 0.00 H new ATOM 0 HA LEU A 13 4.352 -7.556 8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.344 -5.336 7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.158 -6.608 6.442 1.00 0.00 H new ATOM 0 HG LEU A 13 3.809 -4.974 7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.107 -3.565 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.482 -3.423 6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.636 -4.402 5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.837 -5.673 5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.316 -6.595 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.284 -7.070 6.265 1.00 0.00 H new ATOM 164 N ASP A 14 6.041 -9.351 8.133 1.00 0.00 N ATOM 165 CA ASP A 14 6.995 -10.452 8.202 1.00 0.00 C ATOM 166 C ASP A 14 8.266 -10.118 7.427 1.00 0.00 C ATOM 167 O ASP A 14 8.227 -9.529 6.347 1.00 0.00 O ATOM 168 CB ASP A 14 6.368 -11.733 7.650 1.00 0.00 C ATOM 169 CG ASP A 14 7.055 -12.983 8.167 1.00 0.00 C ATOM 170 OD1 ASP A 14 6.697 -13.443 9.271 1.00 0.00 O ATOM 171 OD2 ASP A 14 7.949 -13.500 7.466 1.00 0.00 O ATOM 0 H ASP A 14 5.111 -9.619 7.812 1.00 0.00 H new ATOM 0 HA ASP A 14 7.259 -10.608 9.248 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.313 -11.763 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.418 -11.719 6.561 1.00 0.00 H new ATOM 176 N PRO A 15 9.421 -10.502 7.991 1.00 0.00 N ATOM 177 CA PRO A 15 10.726 -10.253 7.370 1.00 0.00 C ATOM 178 C PRO A 15 10.943 -11.097 6.119 1.00 0.00 C ATOM 179 O PRO A 15 11.956 -10.958 5.435 1.00 0.00 O ATOM 180 CB PRO A 15 11.720 -10.652 8.464 1.00 0.00 C ATOM 181 CG PRO A 15 10.984 -11.636 9.305 1.00 0.00 C ATOM 182 CD PRO A 15 9.542 -11.208 9.277 1.00 0.00 C ATOM 0 HA PRO A 15 10.829 -9.220 7.037 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.622 -11.092 8.038 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.033 -9.787 9.049 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.099 -12.647 8.914 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.369 -11.643 10.325 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.868 -12.063 9.331 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.300 -10.557 10.117 1.00 0.00 H new ATOM 190 N GLU A 16 9.985 -11.971 5.827 1.00 0.00 N ATOM 191 CA GLU A 16 10.073 -12.837 4.657 1.00 0.00 C ATOM 192 C GLU A 16 9.380 -12.202 3.456 1.00 0.00 C ATOM 193 O GLU A 16 9.533 -12.661 2.323 1.00 0.00 O ATOM 194 CB GLU A 16 9.449 -14.202 4.957 1.00 0.00 C ATOM 195 CG GLU A 16 10.216 -15.008 5.991 1.00 0.00 C ATOM 196 CD GLU A 16 10.063 -16.504 5.795 1.00 0.00 C ATOM 197 OE1 GLU A 16 10.419 -16.998 4.705 1.00 0.00 O ATOM 198 OE2 GLU A 16 9.588 -17.180 6.731 1.00 0.00 O ATOM 0 H GLU A 16 9.140 -12.098 6.384 1.00 0.00 H new ATOM 0 HA GLU A 16 11.127 -12.972 4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.427 -14.056 5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.390 -14.776 4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.273 -14.745 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.868 -14.738 6.988 1.00 0.00 H new ATOM 205 N ILE A 17 8.618 -11.144 3.711 1.00 0.00 N ATOM 206 CA ILE A 17 7.902 -10.445 2.651 1.00 0.00 C ATOM 207 C ILE A 17 8.763 -9.345 2.039 1.00 0.00 C ATOM 208 O ILE A 17 9.479 -8.636 2.747 1.00 0.00 O ATOM 209 CB ILE A 17 6.591 -9.826 3.171 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.774 -10.873 3.931 1.00 0.00 C ATOM 211 CG2 ILE A 17 5.783 -9.251 2.017 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.788 -10.275 4.910 1.00 0.00 C ATOM 0 H ILE A 17 8.480 -10.752 4.643 1.00 0.00 H new ATOM 0 HA ILE A 17 7.666 -11.186 1.887 1.00 0.00 H new ATOM 0 HB ILE A 17 6.836 -9.015 3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.233 -11.491 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.454 -11.532 4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.859 -8.817 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.365 -8.479 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.545 -10.045 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.244 -11.075 5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.325 -9.681 5.649 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.084 -9.638 4.374 1.00 0.00 H new ATOM 224 N ASP A 18 8.686 -9.207 0.720 1.00 0.00 N ATOM 225 CA ASP A 18 9.456 -8.190 0.012 1.00 0.00 C ATOM 226 C ASP A 18 8.533 -7.178 -0.658 1.00 0.00 C ATOM 227 O ASP A 18 7.392 -7.492 -0.994 1.00 0.00 O ATOM 228 CB ASP A 18 10.362 -8.843 -1.034 1.00 0.00 C ATOM 229 CG ASP A 18 9.575 -9.512 -2.144 1.00 0.00 C ATOM 230 OD1 ASP A 18 8.396 -9.853 -1.914 1.00 0.00 O ATOM 231 OD2 ASP A 18 10.139 -9.695 -3.243 1.00 0.00 O ATOM 0 H ASP A 18 8.099 -9.786 0.120 1.00 0.00 H new ATOM 0 HA ASP A 18 10.074 -7.665 0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.020 -8.087 -1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.999 -9.582 -0.548 1.00 0.00 H new ATOM 236 N GLU A 19 9.034 -5.961 -0.846 1.00 0.00 N ATOM 237 CA GLU A 19 8.253 -4.902 -1.474 1.00 0.00 C ATOM 238 C GLU A 19 7.406 -5.455 -2.617 1.00 0.00 C ATOM 239 O GLU A 19 6.214 -5.165 -2.719 1.00 0.00 O ATOM 240 CB GLU A 19 9.175 -3.798 -1.995 1.00 0.00 C ATOM 241 CG GLU A 19 9.719 -2.893 -0.902 1.00 0.00 C ATOM 242 CD GLU A 19 10.842 -1.999 -1.391 1.00 0.00 C ATOM 243 OE1 GLU A 19 10.767 -1.532 -2.547 1.00 0.00 O ATOM 244 OE2 GLU A 19 11.795 -1.766 -0.619 1.00 0.00 O ATOM 0 H GLU A 19 9.977 -5.684 -0.572 1.00 0.00 H new ATOM 0 HA GLU A 19 7.586 -4.482 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.010 -4.254 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.630 -3.192 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.911 -2.274 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.080 -3.505 -0.075 1.00 0.00 H new ATOM 251 N LYS A 20 8.032 -6.253 -3.476 1.00 0.00 N ATOM 252 CA LYS A 20 7.338 -6.848 -4.612 1.00 0.00 C ATOM 253 C LYS A 20 6.002 -7.445 -4.182 1.00 0.00 C ATOM 254 O LYS A 20 4.945 -7.039 -4.667 1.00 0.00 O ATOM 255 CB LYS A 20 8.208 -7.930 -5.256 1.00 0.00 C ATOM 256 CG LYS A 20 9.214 -7.386 -6.256 1.00 0.00 C ATOM 257 CD LYS A 20 8.604 -7.244 -7.640 1.00 0.00 C ATOM 258 CE LYS A 20 9.482 -6.402 -8.553 1.00 0.00 C ATOM 259 NZ LYS A 20 9.531 -4.979 -8.117 1.00 0.00 N ATOM 0 H LYS A 20 9.019 -6.502 -3.407 1.00 0.00 H new ATOM 0 HA LYS A 20 7.146 -6.061 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.742 -8.469 -4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.563 -8.652 -5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.578 -6.416 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.076 -8.051 -6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.462 -8.231 -8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.618 -6.787 -7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.492 -6.813 -8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.102 -6.456 -9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.854 -4.385 -8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.582 -4.674 -7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.191 -4.883 -7.319 1.00 0.00 H new ATOM 273 N LEU A 21 6.055 -8.408 -3.269 1.00 0.00 N ATOM 274 CA LEU A 21 4.848 -9.059 -2.772 1.00 0.00 C ATOM 275 C LEU A 21 3.836 -8.029 -2.282 1.00 0.00 C ATOM 276 O LEU A 21 2.709 -7.966 -2.776 1.00 0.00 O ATOM 277 CB LEU A 21 5.196 -10.027 -1.640 1.00 0.00 C ATOM 278 CG LEU A 21 4.117 -11.045 -1.271 1.00 0.00 C ATOM 279 CD1 LEU A 21 3.981 -12.097 -2.361 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.433 -11.698 0.066 1.00 0.00 C ATOM 0 H LEU A 21 6.921 -8.756 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 21 4.401 -9.617 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.099 -10.570 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.436 -9.444 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 21 3.166 -10.520 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.208 -12.813 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.706 -11.615 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.931 -12.618 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.654 -12.419 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.394 -12.209 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.478 -10.934 0.842 1.00 0.00 H new ATOM 292 N LEU A 22 4.245 -7.221 -1.309 1.00 0.00 N ATOM 293 CA LEU A 22 3.374 -6.191 -0.753 1.00 0.00 C ATOM 294 C LEU A 22 2.544 -5.530 -1.849 1.00 0.00 C ATOM 295 O LEU A 22 1.324 -5.408 -1.729 1.00 0.00 O ATOM 296 CB LEU A 22 4.204 -5.136 -0.020 1.00 0.00 C ATOM 297 CG LEU A 22 4.580 -5.462 1.425 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.632 -4.490 1.936 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.347 -5.433 2.316 1.00 0.00 C ATOM 0 H LEU A 22 5.174 -7.259 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 22 2.695 -6.667 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.122 -4.969 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.650 -4.197 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 22 5.001 -6.467 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.887 -4.738 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.525 -4.560 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.240 -3.474 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.633 -5.667 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.897 -4.441 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.626 -6.170 1.963 1.00 0.00 H new ATOM 311 N TYR A 23 3.212 -5.108 -2.917 1.00 0.00 N ATOM 312 CA TYR A 23 2.535 -4.460 -4.034 1.00 0.00 C ATOM 313 C TYR A 23 1.298 -5.248 -4.454 1.00 0.00 C ATOM 314 O TYR A 23 0.185 -4.722 -4.460 1.00 0.00 O ATOM 315 CB TYR A 23 3.489 -4.316 -5.221 1.00 0.00 C ATOM 316 CG TYR A 23 2.850 -3.691 -6.440 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.058 -4.445 -7.298 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.037 -2.346 -6.735 1.00 0.00 C ATOM 319 CE1 TYR A 23 1.472 -3.878 -8.413 1.00 0.00 C ATOM 320 CE2 TYR A 23 2.454 -1.771 -7.847 1.00 0.00 C ATOM 321 CZ TYR A 23 1.672 -2.541 -8.683 1.00 0.00 C ATOM 322 OH TYR A 23 1.091 -1.971 -9.793 1.00 0.00 O ATOM 0 H TYR A 23 4.221 -5.203 -3.033 1.00 0.00 H new ATOM 0 HA TYR A 23 2.218 -3.469 -3.708 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.343 -3.710 -4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.875 -5.300 -5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.898 -5.492 -7.089 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.649 -1.740 -6.083 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.860 -4.479 -9.070 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.609 -0.724 -8.061 1.00 0.00 H new ATOM 0 HH TYR A 23 1.331 -1.022 -9.837 1.00 0.00 H new ATOM 332 N ASP A 24 1.502 -6.514 -4.803 1.00 0.00 N ATOM 333 CA ASP A 24 0.404 -7.377 -5.223 1.00 0.00 C ATOM 334 C ASP A 24 -0.569 -7.616 -4.073 1.00 0.00 C ATOM 335 O ASP A 24 -1.761 -7.325 -4.183 1.00 0.00 O ATOM 336 CB ASP A 24 0.945 -8.713 -5.736 1.00 0.00 C ATOM 337 CG ASP A 24 -0.038 -9.427 -6.642 1.00 0.00 C ATOM 338 OD1 ASP A 24 -1.011 -10.009 -6.119 1.00 0.00 O ATOM 339 OD2 ASP A 24 0.165 -9.404 -7.874 1.00 0.00 O ATOM 0 H ASP A 24 2.417 -6.965 -4.803 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.131 -6.877 -6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.875 -8.541 -6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.184 -9.354 -4.888 1.00 0.00 H new ATOM 344 N THR A 25 -0.054 -8.149 -2.969 1.00 0.00 N ATOM 345 CA THR A 25 -0.878 -8.430 -1.800 1.00 0.00 C ATOM 346 C THR A 25 -1.903 -7.325 -1.572 1.00 0.00 C ATOM 347 O THR A 25 -3.034 -7.588 -1.164 1.00 0.00 O ATOM 348 CB THR A 25 -0.018 -8.587 -0.532 1.00 0.00 C ATOM 349 OG1 THR A 25 0.912 -9.663 -0.701 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.892 -8.852 0.685 1.00 0.00 C ATOM 0 H THR A 25 0.930 -8.395 -2.860 1.00 0.00 H new ATOM 0 HA THR A 25 -1.397 -9.368 -1.996 1.00 0.00 H new ATOM 0 HB THR A 25 0.528 -7.657 -0.372 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.456 -9.755 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.263 -8.959 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.579 -8.018 0.828 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.461 -9.769 0.531 1.00 0.00 H new ATOM 358 N PHE A 26 -1.500 -6.087 -1.838 1.00 0.00 N ATOM 359 CA PHE A 26 -2.384 -4.941 -1.660 1.00 0.00 C ATOM 360 C PHE A 26 -3.052 -4.560 -2.978 1.00 0.00 C ATOM 361 O PHE A 26 -4.113 -3.936 -2.991 1.00 0.00 O ATOM 362 CB PHE A 26 -1.602 -3.747 -1.109 1.00 0.00 C ATOM 363 CG PHE A 26 -1.365 -3.817 0.372 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.527 -4.781 0.908 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.982 -2.920 1.229 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.307 -4.849 2.271 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.765 -2.983 2.593 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.927 -3.949 3.115 1.00 0.00 C ATOM 0 H PHE A 26 -0.567 -5.852 -2.177 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.159 -5.220 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.641 -3.685 -1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.145 -2.830 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.040 -5.488 0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.640 -2.163 0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.349 -5.605 2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.251 -2.277 3.250 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.757 -4.000 4.180 1.00 0.00 H new ATOM 378 N SER A 27 -2.423 -4.941 -4.086 1.00 0.00 N ATOM 379 CA SER A 27 -2.954 -4.637 -5.409 1.00 0.00 C ATOM 380 C SER A 27 -4.374 -5.173 -5.562 1.00 0.00 C ATOM 381 O SER A 27 -5.239 -4.513 -6.137 1.00 0.00 O ATOM 382 CB SER A 27 -2.053 -5.233 -6.492 1.00 0.00 C ATOM 383 OG SER A 27 -2.385 -4.721 -7.771 1.00 0.00 O ATOM 0 H SER A 27 -1.545 -5.461 -4.093 1.00 0.00 H new ATOM 0 HA SER A 27 -2.980 -3.553 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.011 -5.008 -6.266 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.152 -6.319 -6.495 1.00 0.00 H new ATOM 0 HG SER A 27 -1.794 -5.116 -8.445 1.00 0.00 H new ATOM 389 N ALA A 28 -4.606 -6.373 -5.041 1.00 0.00 N ATOM 390 CA ALA A 28 -5.921 -6.998 -5.117 1.00 0.00 C ATOM 391 C ALA A 28 -7.025 -5.990 -4.816 1.00 0.00 C ATOM 392 O ALA A 28 -8.011 -5.898 -5.548 1.00 0.00 O ATOM 393 CB ALA A 28 -6.002 -8.175 -4.156 1.00 0.00 C ATOM 0 H ALA A 28 -3.900 -6.932 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.065 -7.363 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.989 -8.632 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.242 -8.912 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.833 -7.825 -3.138 1.00 0.00 H new ATOM 399 N PHE A 29 -6.854 -5.237 -3.735 1.00 0.00 N ATOM 400 CA PHE A 29 -7.838 -4.236 -3.337 1.00 0.00 C ATOM 401 C PHE A 29 -7.889 -3.093 -4.346 1.00 0.00 C ATOM 402 O PHE A 29 -8.889 -2.905 -5.037 1.00 0.00 O ATOM 403 CB PHE A 29 -7.507 -3.691 -1.946 1.00 0.00 C ATOM 404 CG PHE A 29 -7.385 -4.758 -0.897 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.513 -5.388 -0.397 1.00 0.00 C ATOM 406 CD2 PHE A 29 -6.142 -5.132 -0.411 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.403 -6.370 0.570 1.00 0.00 C ATOM 408 CE2 PHE A 29 -6.026 -6.113 0.555 1.00 0.00 C ATOM 409 CZ PHE A 29 -7.158 -6.734 1.045 1.00 0.00 C ATOM 0 H PHE A 29 -6.044 -5.300 -3.119 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.817 -4.715 -3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.572 -3.134 -1.996 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.283 -2.986 -1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.489 -5.109 -0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.253 -4.651 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.290 -6.852 0.954 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.051 -6.394 0.926 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.070 -7.503 1.798 1.00 0.00 H new ATOM 419 N GLY A 30 -6.803 -2.330 -4.423 1.00 0.00 N ATOM 420 CA GLY A 30 -6.744 -1.214 -5.348 1.00 0.00 C ATOM 421 C GLY A 30 -5.402 -1.108 -6.045 1.00 0.00 C ATOM 422 O GLY A 30 -4.513 -1.930 -5.824 1.00 0.00 O ATOM 0 H GLY A 30 -5.963 -2.465 -3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.530 -1.324 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.944 -0.288 -4.809 1.00 0.00 H new ATOM 426 N VAL A 31 -5.255 -0.094 -6.892 1.00 0.00 N ATOM 427 CA VAL A 31 -4.012 0.116 -7.625 1.00 0.00 C ATOM 428 C VAL A 31 -3.006 0.897 -6.788 1.00 0.00 C ATOM 429 O VAL A 31 -3.384 1.696 -5.930 1.00 0.00 O ATOM 430 CB VAL A 31 -4.259 0.869 -8.946 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.954 1.062 -9.703 1.00 0.00 C ATOM 432 CG2 VAL A 31 -5.276 0.126 -9.800 1.00 0.00 C ATOM 0 H VAL A 31 -5.981 0.595 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.606 -0.871 -7.849 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.664 1.854 -8.713 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.149 1.596 -10.633 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.261 1.639 -9.092 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.516 0.089 -9.927 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.439 0.672 -10.729 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.901 -0.872 -10.026 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.218 0.046 -9.257 1.00 0.00 H new ATOM 442 N ILE A 32 -1.723 0.662 -7.042 1.00 0.00 N ATOM 443 CA ILE A 32 -0.662 1.346 -6.313 1.00 0.00 C ATOM 444 C ILE A 32 0.020 2.392 -7.187 1.00 0.00 C ATOM 445 O ILE A 32 0.276 2.159 -8.369 1.00 0.00 O ATOM 446 CB ILE A 32 0.397 0.353 -5.799 1.00 0.00 C ATOM 447 CG1 ILE A 32 -0.245 -0.671 -4.860 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.520 1.097 -5.091 1.00 0.00 C ATOM 449 CD1 ILE A 32 0.594 -1.913 -4.656 1.00 0.00 C ATOM 0 H ILE A 32 -1.393 0.003 -7.747 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.131 1.839 -5.461 1.00 0.00 H new ATOM 0 HB ILE A 32 0.819 -0.179 -6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.426 -0.202 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.216 -0.960 -5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.261 0.382 -4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.992 1.791 -5.787 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.113 1.651 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.077 -2.594 -3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.754 -2.406 -5.615 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.556 -1.635 -4.226 1.00 0.00 H new ATOM 461 N LEU A 33 0.314 3.546 -6.599 1.00 0.00 N ATOM 462 CA LEU A 33 0.969 4.630 -7.323 1.00 0.00 C ATOM 463 C LEU A 33 2.389 4.239 -7.720 1.00 0.00 C ATOM 464 O LEU A 33 2.783 4.386 -8.877 1.00 0.00 O ATOM 465 CB LEU A 33 0.997 5.898 -6.468 1.00 0.00 C ATOM 466 CG LEU A 33 -0.333 6.637 -6.320 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.227 7.718 -5.255 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.761 7.237 -7.651 1.00 0.00 C ATOM 0 H LEU A 33 0.109 3.756 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 33 0.398 4.825 -8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.355 5.633 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.726 6.585 -6.897 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.092 5.920 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.183 8.234 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.033 7.263 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.545 8.433 -5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.710 7.759 -7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.002 7.940 -7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.878 6.442 -8.388 1.00 0.00 H new ATOM 480 N GLN A 34 3.151 3.738 -6.754 1.00 0.00 N ATOM 481 CA GLN A 34 4.527 3.324 -7.003 1.00 0.00 C ATOM 482 C GLN A 34 4.986 2.305 -5.966 1.00 0.00 C ATOM 483 O GLN A 34 4.453 2.247 -4.857 1.00 0.00 O ATOM 484 CB GLN A 34 5.458 4.538 -6.988 1.00 0.00 C ATOM 485 CG GLN A 34 5.594 5.184 -5.619 1.00 0.00 C ATOM 486 CD GLN A 34 6.451 6.434 -5.646 1.00 0.00 C ATOM 487 OE1 GLN A 34 7.470 6.487 -6.335 1.00 0.00 O ATOM 488 NE2 GLN A 34 6.042 7.449 -4.894 1.00 0.00 N ATOM 0 H GLN A 34 2.839 3.609 -5.791 1.00 0.00 H new ATOM 0 HA GLN A 34 4.566 2.856 -7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.445 4.233 -7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.086 5.279 -7.695 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.603 5.435 -5.240 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.028 4.465 -4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.191 7.362 -4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.579 8.316 -4.872 1.00 0.00 H new ATOM 497 N THR A 35 5.978 1.499 -6.333 1.00 0.00 N ATOM 498 CA THR A 35 6.508 0.480 -5.436 1.00 0.00 C ATOM 499 C THR A 35 6.492 0.961 -3.989 1.00 0.00 C ATOM 500 O THR A 35 6.829 2.105 -3.686 1.00 0.00 O ATOM 501 CB THR A 35 7.947 0.087 -5.819 1.00 0.00 C ATOM 502 OG1 THR A 35 7.962 -0.504 -7.123 1.00 0.00 O ATOM 503 CG2 THR A 35 8.529 -0.889 -4.807 1.00 0.00 C ATOM 0 H THR A 35 6.431 1.533 -7.246 1.00 0.00 H new ATOM 0 HA THR A 35 5.864 -0.394 -5.533 1.00 0.00 H new ATOM 0 HB THR A 35 8.558 0.989 -5.822 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.881 -0.750 -7.360 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.546 -1.152 -5.098 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.543 -0.425 -3.821 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.916 -1.790 -4.776 1.00 0.00 H new ATOM 511 N PRO A 36 6.093 0.067 -3.072 1.00 0.00 N ATOM 512 CA PRO A 36 6.026 0.377 -1.641 1.00 0.00 C ATOM 513 C PRO A 36 7.408 0.545 -1.019 1.00 0.00 C ATOM 514 O PRO A 36 8.380 -0.066 -1.465 1.00 0.00 O ATOM 515 CB PRO A 36 5.317 -0.842 -1.047 1.00 0.00 C ATOM 516 CG PRO A 36 5.604 -1.950 -2.000 1.00 0.00 C ATOM 517 CD PRO A 36 5.678 -1.316 -3.362 1.00 0.00 C ATOM 0 HA PRO A 36 5.513 1.320 -1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.692 -1.071 -0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.245 -0.669 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.541 -2.447 -1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.821 -2.708 -1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.397 -1.825 -4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.716 -1.348 -3.873 1.00 0.00 H new ATOM 525 N LYS A 37 7.490 1.376 0.015 1.00 0.00 N ATOM 526 CA LYS A 37 8.753 1.623 0.700 1.00 0.00 C ATOM 527 C LYS A 37 8.806 0.876 2.029 1.00 0.00 C ATOM 528 O LYS A 37 7.946 1.063 2.891 1.00 0.00 O ATOM 529 CB LYS A 37 8.942 3.123 0.938 1.00 0.00 C ATOM 530 CG LYS A 37 9.175 3.917 -0.336 1.00 0.00 C ATOM 531 CD LYS A 37 9.688 5.315 -0.036 1.00 0.00 C ATOM 532 CE LYS A 37 9.567 6.225 -1.248 1.00 0.00 C ATOM 533 NZ LYS A 37 10.574 7.322 -1.222 1.00 0.00 N ATOM 0 H LYS A 37 6.696 1.890 0.397 1.00 0.00 H new ATOM 0 HA LYS A 37 9.560 1.257 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.060 3.516 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.788 3.272 1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.893 3.393 -0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.244 3.983 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.126 5.739 0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.731 5.262 0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.694 5.637 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.565 6.653 -1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.458 7.920 -2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.437 7.899 -0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.531 6.915 -1.215 1.00 0.00 H new ATOM 547 N ILE A 38 9.820 0.032 2.188 1.00 0.00 N ATOM 548 CA ILE A 38 9.985 -0.740 3.413 1.00 0.00 C ATOM 549 C ILE A 38 11.234 -0.306 4.172 1.00 0.00 C ATOM 550 O ILE A 38 12.357 -0.562 3.739 1.00 0.00 O ATOM 551 CB ILE A 38 10.076 -2.249 3.119 1.00 0.00 C ATOM 552 CG1 ILE A 38 8.775 -2.746 2.484 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.376 -3.020 4.396 1.00 0.00 C ATOM 554 CD1 ILE A 38 8.825 -4.198 2.062 1.00 0.00 C ATOM 0 H ILE A 38 10.539 -0.134 1.484 1.00 0.00 H new ATOM 0 HA ILE A 38 9.105 -0.550 4.027 1.00 0.00 H new ATOM 0 HB ILE A 38 10.891 -2.419 2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.959 -2.610 3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.547 -2.131 1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.437 -4.085 4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.325 -2.681 4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.581 -2.847 5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.870 -4.482 1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.619 -4.337 1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.022 -4.823 2.933 1.00 0.00 H new ATOM 566 N MET A 39 11.030 0.352 5.309 1.00 0.00 N ATOM 567 CA MET A 39 12.141 0.820 6.131 1.00 0.00 C ATOM 568 C MET A 39 12.896 -0.356 6.744 1.00 0.00 C ATOM 569 O MET A 39 12.290 -1.274 7.296 1.00 0.00 O ATOM 570 CB MET A 39 11.630 1.745 7.237 1.00 0.00 C ATOM 571 CG MET A 39 11.590 3.210 6.833 1.00 0.00 C ATOM 572 SD MET A 39 10.934 3.454 5.171 1.00 0.00 S ATOM 573 CE MET A 39 9.173 3.358 5.484 1.00 0.00 C ATOM 0 H MET A 39 10.107 0.573 5.682 1.00 0.00 H new ATOM 0 HA MET A 39 12.826 1.375 5.491 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.628 1.430 7.529 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.267 1.636 8.114 1.00 0.00 H new ATOM 0 HG2 MET A 39 10.978 3.763 7.546 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.596 3.625 6.887 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.796 2.391 5.151 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.987 3.472 6.552 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.663 4.153 4.940 1.00 0.00 H new ATOM 691 N LYS A 48 12.828 -3.897 9.363 1.00 0.00 N ATOM 692 CA LYS A 48 12.359 -3.299 10.607 1.00 0.00 C ATOM 693 C LYS A 48 11.024 -3.903 11.031 1.00 0.00 C ATOM 694 O LYS A 48 10.915 -4.504 12.099 1.00 0.00 O ATOM 695 CB LYS A 48 12.217 -1.784 10.447 1.00 0.00 C ATOM 696 CG LYS A 48 13.505 -1.022 10.708 1.00 0.00 C ATOM 697 CD LYS A 48 13.455 0.378 10.118 1.00 0.00 C ATOM 698 CE LYS A 48 14.437 1.310 10.809 1.00 0.00 C ATOM 699 NZ LYS A 48 14.749 2.504 9.976 1.00 0.00 N ATOM 0 HA LYS A 48 13.096 -3.509 11.382 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.873 -1.564 9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.447 -1.425 11.131 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.680 -0.959 11.782 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.345 -1.568 10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.682 0.333 9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.445 0.778 10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.021 1.632 11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.358 0.769 11.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.422 3.114 10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.169 2.199 9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.874 3.034 9.788 1.00 0.00 H new ATOM 713 N GLY A 49 10.010 -3.739 10.187 1.00 0.00 N ATOM 714 CA GLY A 49 8.696 -4.275 10.492 1.00 0.00 C ATOM 715 C GLY A 49 7.576 -3.380 9.998 1.00 0.00 C ATOM 716 O GLY A 49 6.475 -3.852 9.714 1.00 0.00 O ATOM 0 H GLY A 49 10.075 -3.244 9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.595 -5.261 10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.602 -4.408 11.570 1.00 0.00 H new ATOM 720 N TYR A 50 7.856 -2.086 9.897 1.00 0.00 N ATOM 721 CA TYR A 50 6.862 -1.123 9.439 1.00 0.00 C ATOM 722 C TYR A 50 7.216 -0.594 8.052 1.00 0.00 C ATOM 723 O TYR A 50 8.372 -0.278 7.772 1.00 0.00 O ATOM 724 CB TYR A 50 6.753 0.039 10.427 1.00 0.00 C ATOM 725 CG TYR A 50 8.091 0.554 10.907 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.837 1.435 10.134 1.00 0.00 C ATOM 727 CD2 TYR A 50 8.611 0.158 12.134 1.00 0.00 C ATOM 728 CE1 TYR A 50 10.060 1.908 10.568 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.833 0.626 12.576 1.00 0.00 C ATOM 730 CZ TYR A 50 10.554 1.501 11.790 1.00 0.00 C ATOM 731 OH TYR A 50 11.772 1.968 12.226 1.00 0.00 O ATOM 0 H TYR A 50 8.763 -1.680 10.126 1.00 0.00 H new ATOM 0 HA TYR A 50 5.900 -1.632 9.380 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.207 0.856 9.955 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.166 -0.281 11.288 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.454 1.756 9.177 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.050 -0.527 12.752 1.00 0.00 H new ATOM 0 HE1 TYR A 50 10.626 2.593 9.954 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.222 0.309 13.532 1.00 0.00 H new ATOM 0 HH TYR A 50 11.973 1.586 13.106 1.00 0.00 H new ATOM 741 N ALA A 51 6.210 -0.499 7.188 1.00 0.00 N ATOM 742 CA ALA A 51 6.413 -0.006 5.831 1.00 0.00 C ATOM 743 C ALA A 51 5.333 0.999 5.445 1.00 0.00 C ATOM 744 O ALA A 51 4.264 1.041 6.054 1.00 0.00 O ATOM 745 CB ALA A 51 6.434 -1.166 4.846 1.00 0.00 C ATOM 0 H ALA A 51 5.247 -0.757 7.404 1.00 0.00 H new ATOM 0 HA ALA A 51 7.376 0.504 5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.586 -0.784 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.246 -1.847 5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.485 -1.700 4.892 1.00 0.00 H new ATOM 751 N PHE A 52 5.620 1.808 4.431 1.00 0.00 N ATOM 752 CA PHE A 52 4.673 2.815 3.965 1.00 0.00 C ATOM 753 C PHE A 52 4.280 2.561 2.513 1.00 0.00 C ATOM 754 O PHE A 52 5.138 2.423 1.641 1.00 0.00 O ATOM 755 CB PHE A 52 5.275 4.215 4.105 1.00 0.00 C ATOM 756 CG PHE A 52 5.313 4.712 5.521 1.00 0.00 C ATOM 757 CD1 PHE A 52 6.132 4.106 6.461 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.531 5.787 5.913 1.00 0.00 C ATOM 759 CE1 PHE A 52 6.168 4.562 7.765 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.563 6.247 7.216 1.00 0.00 C ATOM 761 CZ PHE A 52 5.383 5.634 8.143 1.00 0.00 C ATOM 0 H PHE A 52 6.500 1.786 3.916 1.00 0.00 H new ATOM 0 HA PHE A 52 3.777 2.749 4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.288 4.208 3.704 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.697 4.913 3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.749 3.268 6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.889 6.271 5.192 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.810 4.081 8.488 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.948 7.085 7.509 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.410 5.992 9.162 1.00 0.00 H new ATOM 771 N ILE A 53 2.977 2.499 2.262 1.00 0.00 N ATOM 772 CA ILE A 53 2.469 2.262 0.916 1.00 0.00 C ATOM 773 C ILE A 53 1.421 3.302 0.533 1.00 0.00 C ATOM 774 O ILE A 53 0.608 3.713 1.360 1.00 0.00 O ATOM 775 CB ILE A 53 1.853 0.857 0.786 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.787 -0.191 1.395 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.568 0.536 -0.674 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.314 -1.613 1.191 1.00 0.00 C ATOM 0 H ILE A 53 2.254 2.610 2.973 1.00 0.00 H new ATOM 0 HA ILE A 53 3.320 2.341 0.239 1.00 0.00 H new ATOM 0 HB ILE A 53 0.910 0.838 1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.779 -0.080 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.887 0.000 2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.133 -0.461 -0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.869 1.269 -1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.498 0.570 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.024 -2.302 1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.335 -1.741 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.241 -1.823 0.124 1.00 0.00 H new ATOM 790 N ASN A 54 1.445 3.722 -0.728 1.00 0.00 N ATOM 791 CA ASN A 54 0.496 4.713 -1.222 1.00 0.00 C ATOM 792 C ASN A 54 -0.356 4.136 -2.349 1.00 0.00 C ATOM 793 O ASN A 54 0.131 3.368 -3.179 1.00 0.00 O ATOM 794 CB ASN A 54 1.236 5.958 -1.713 1.00 0.00 C ATOM 795 CG ASN A 54 1.926 6.703 -0.587 1.00 0.00 C ATOM 796 OD1 ASN A 54 2.337 6.105 0.408 1.00 0.00 O ATOM 797 ND2 ASN A 54 2.056 8.016 -0.738 1.00 0.00 N ATOM 0 H ASN A 54 2.111 3.391 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.162 4.991 -0.399 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.976 5.667 -2.459 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.530 6.625 -2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.511 8.570 -0.013 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.700 8.470 -1.579 1.00 0.00 H new ATOM 804 N PHE A 55 -1.630 4.511 -2.372 1.00 0.00 N ATOM 805 CA PHE A 55 -2.550 4.031 -3.396 1.00 0.00 C ATOM 806 C PHE A 55 -2.800 5.107 -4.449 1.00 0.00 C ATOM 807 O PHE A 55 -2.438 6.268 -4.264 1.00 0.00 O ATOM 808 CB PHE A 55 -3.876 3.605 -2.762 1.00 0.00 C ATOM 809 CG PHE A 55 -3.860 2.202 -2.226 1.00 0.00 C ATOM 810 CD1 PHE A 55 -3.328 1.929 -0.976 1.00 0.00 C ATOM 811 CD2 PHE A 55 -4.379 1.156 -2.972 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.311 0.639 -0.482 1.00 0.00 C ATOM 813 CE2 PHE A 55 -4.365 -0.137 -2.482 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.832 -0.395 -1.235 1.00 0.00 C ATOM 0 H PHE A 55 -2.049 5.146 -1.693 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.095 3.169 -3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.120 4.292 -1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.669 3.693 -3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.922 2.734 -0.381 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.799 1.353 -3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.891 0.439 0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.771 -0.944 -3.074 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.822 -1.404 -0.849 1.00 0.00 H new ATOM 824 N ALA A 56 -3.421 4.710 -5.555 1.00 0.00 N ATOM 825 CA ALA A 56 -3.721 5.639 -6.638 1.00 0.00 C ATOM 826 C ALA A 56 -5.073 6.312 -6.425 1.00 0.00 C ATOM 827 O ALA A 56 -5.218 7.516 -6.637 1.00 0.00 O ATOM 828 CB ALA A 56 -3.694 4.916 -7.976 1.00 0.00 C ATOM 0 H ALA A 56 -3.726 3.752 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.955 6.415 -6.641 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.920 5.622 -8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.705 4.488 -8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.438 4.120 -7.974 1.00 0.00 H new ATOM 834 N SER A 57 -6.061 5.526 -6.007 1.00 0.00 N ATOM 835 CA SER A 57 -7.402 6.046 -5.770 1.00 0.00 C ATOM 836 C SER A 57 -7.721 6.067 -4.278 1.00 0.00 C ATOM 837 O SER A 57 -7.542 5.070 -3.579 1.00 0.00 O ATOM 838 CB SER A 57 -8.438 5.199 -6.512 1.00 0.00 C ATOM 839 OG SER A 57 -8.046 3.838 -6.558 1.00 0.00 O ATOM 0 H SER A 57 -5.957 4.528 -5.826 1.00 0.00 H new ATOM 0 HA SER A 57 -7.441 7.068 -6.147 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.405 5.286 -6.017 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.564 5.579 -7.526 1.00 0.00 H new ATOM 0 HG SER A 57 -8.725 3.318 -7.036 1.00 0.00 H new ATOM 845 N PHE A 58 -8.195 7.212 -3.797 1.00 0.00 N ATOM 846 CA PHE A 58 -8.539 7.365 -2.388 1.00 0.00 C ATOM 847 C PHE A 58 -9.342 6.167 -1.891 1.00 0.00 C ATOM 848 O PHE A 58 -9.068 5.624 -0.820 1.00 0.00 O ATOM 849 CB PHE A 58 -9.337 8.653 -2.173 1.00 0.00 C ATOM 850 CG PHE A 58 -8.519 9.901 -2.346 1.00 0.00 C ATOM 851 CD1 PHE A 58 -7.819 10.439 -1.279 1.00 0.00 C ATOM 852 CD2 PHE A 58 -8.451 10.536 -3.576 1.00 0.00 C ATOM 853 CE1 PHE A 58 -7.065 11.588 -1.434 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.699 11.684 -3.737 1.00 0.00 C ATOM 855 CZ PHE A 58 -7.006 12.211 -2.665 1.00 0.00 C ATOM 0 H PHE A 58 -8.350 8.047 -4.362 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.612 7.420 -1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.172 8.675 -2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.763 8.644 -1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.862 9.955 -0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.992 10.129 -4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.523 11.997 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.653 12.169 -4.701 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.419 13.109 -2.789 1.00 0.00 H new ATOM 865 N ASP A 59 -10.334 5.761 -2.675 1.00 0.00 N ATOM 866 CA ASP A 59 -11.177 4.626 -2.315 1.00 0.00 C ATOM 867 C ASP A 59 -10.329 3.425 -1.911 1.00 0.00 C ATOM 868 O ASP A 59 -10.525 2.845 -0.843 1.00 0.00 O ATOM 869 CB ASP A 59 -12.090 4.252 -3.483 1.00 0.00 C ATOM 870 CG ASP A 59 -13.395 5.024 -3.470 1.00 0.00 C ATOM 871 OD1 ASP A 59 -14.109 4.963 -2.448 1.00 0.00 O ATOM 872 OD2 ASP A 59 -13.701 5.690 -4.482 1.00 0.00 O ATOM 0 H ASP A 59 -10.575 6.200 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.791 4.917 -1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.569 4.441 -4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.303 3.184 -3.446 1.00 0.00 H new ATOM 877 N ALA A 60 -9.386 3.056 -2.772 1.00 0.00 N ATOM 878 CA ALA A 60 -8.507 1.925 -2.504 1.00 0.00 C ATOM 879 C ALA A 60 -7.968 1.974 -1.078 1.00 0.00 C ATOM 880 O ALA A 60 -8.074 1.002 -0.331 1.00 0.00 O ATOM 881 CB ALA A 60 -7.360 1.899 -3.503 1.00 0.00 C ATOM 0 H ALA A 60 -9.211 3.524 -3.661 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.090 1.010 -2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.712 1.049 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.759 1.807 -4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.786 2.822 -3.422 1.00 0.00 H new ATOM 887 N SER A 61 -7.388 3.111 -0.708 1.00 0.00 N ATOM 888 CA SER A 61 -6.828 3.285 0.627 1.00 0.00 C ATOM 889 C SER A 61 -7.821 2.837 1.695 1.00 0.00 C ATOM 890 O SER A 61 -7.437 2.267 2.716 1.00 0.00 O ATOM 891 CB SER A 61 -6.442 4.747 0.855 1.00 0.00 C ATOM 892 OG SER A 61 -5.345 4.852 1.746 1.00 0.00 O ATOM 0 H SER A 61 -7.294 3.926 -1.314 1.00 0.00 H new ATOM 0 HA SER A 61 -5.935 2.665 0.703 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.187 5.212 -0.097 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.295 5.293 1.258 1.00 0.00 H new ATOM 0 HG SER A 61 -5.506 5.583 2.379 1.00 0.00 H new ATOM 898 N ASP A 62 -9.101 3.100 1.451 1.00 0.00 N ATOM 899 CA ASP A 62 -10.151 2.724 2.391 1.00 0.00 C ATOM 900 C ASP A 62 -10.355 1.212 2.401 1.00 0.00 C ATOM 901 O ASP A 62 -10.497 0.603 3.461 1.00 0.00 O ATOM 902 CB ASP A 62 -11.461 3.425 2.031 1.00 0.00 C ATOM 903 CG ASP A 62 -11.371 4.932 2.175 1.00 0.00 C ATOM 904 OD1 ASP A 62 -10.876 5.588 1.235 1.00 0.00 O ATOM 905 OD2 ASP A 62 -11.793 5.454 3.228 1.00 0.00 O ATOM 0 H ASP A 62 -9.436 3.572 0.611 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.842 3.038 3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.732 3.177 1.005 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.259 3.049 2.672 1.00 0.00 H new ATOM 910 N ALA A 63 -10.369 0.614 1.215 1.00 0.00 N ATOM 911 CA ALA A 63 -10.554 -0.826 1.088 1.00 0.00 C ATOM 912 C ALA A 63 -9.639 -1.584 2.043 1.00 0.00 C ATOM 913 O ALA A 63 -10.090 -2.447 2.796 1.00 0.00 O ATOM 914 CB ALA A 63 -10.303 -1.266 -0.347 1.00 0.00 C ATOM 0 H ALA A 63 -10.254 1.104 0.328 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.585 -1.059 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.445 -2.344 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.002 -0.758 -1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.282 -1.012 -0.632 1.00 0.00 H new ATOM 920 N ALA A 64 -8.352 -1.256 2.008 1.00 0.00 N ATOM 921 CA ALA A 64 -7.373 -1.905 2.872 1.00 0.00 C ATOM 922 C ALA A 64 -7.701 -1.673 4.343 1.00 0.00 C ATOM 923 O ALA A 64 -7.896 -2.623 5.102 1.00 0.00 O ATOM 924 CB ALA A 64 -5.973 -1.402 2.555 1.00 0.00 C ATOM 0 H ALA A 64 -7.962 -0.544 1.390 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.412 -2.978 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.253 -1.895 3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.733 -1.625 1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.929 -0.325 2.714 1.00 0.00 H new ATOM 930 N ILE A 65 -7.759 -0.406 4.738 1.00 0.00 N ATOM 931 CA ILE A 65 -8.063 -0.051 6.119 1.00 0.00 C ATOM 932 C ILE A 65 -9.298 -0.794 6.619 1.00 0.00 C ATOM 933 O ILE A 65 -9.513 -0.918 7.824 1.00 0.00 O ATOM 934 CB ILE A 65 -8.293 1.464 6.273 1.00 0.00 C ATOM 935 CG1 ILE A 65 -7.052 2.238 5.823 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.642 1.804 7.714 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.282 3.728 5.693 1.00 0.00 C ATOM 0 H ILE A 65 -7.600 0.391 4.122 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.199 -0.342 6.717 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.130 1.755 5.639 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.247 2.064 6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.717 1.845 4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.801 2.878 7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.551 1.276 8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.824 1.501 8.368 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.360 4.212 5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -8.065 3.912 4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.587 4.135 6.657 1.00 0.00 H new ATOM 949 N GLU A 66 -10.104 -1.286 5.683 1.00 0.00 N ATOM 950 CA GLU A 66 -11.317 -2.018 6.030 1.00 0.00 C ATOM 951 C GLU A 66 -11.022 -3.505 6.210 1.00 0.00 C ATOM 952 O GLU A 66 -11.483 -4.128 7.166 1.00 0.00 O ATOM 953 CB GLU A 66 -12.382 -1.825 4.948 1.00 0.00 C ATOM 954 CG GLU A 66 -13.793 -2.128 5.423 1.00 0.00 C ATOM 955 CD GLU A 66 -14.807 -2.100 4.295 1.00 0.00 C ATOM 956 OE1 GLU A 66 -14.887 -3.094 3.544 1.00 0.00 O ATOM 957 OE2 GLU A 66 -15.520 -1.083 4.165 1.00 0.00 O ATOM 0 H GLU A 66 -9.940 -1.191 4.681 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.692 -1.623 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.341 -0.797 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.147 -2.468 4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.810 -3.109 5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.080 -1.401 6.183 1.00 0.00 H new ATOM 964 N ALA A 67 -10.252 -4.066 5.284 1.00 0.00 N ATOM 965 CA ALA A 67 -9.895 -5.478 5.341 1.00 0.00 C ATOM 966 C ALA A 67 -8.448 -5.660 5.788 1.00 0.00 C ATOM 967 O ALA A 67 -8.180 -6.279 6.817 1.00 0.00 O ATOM 968 CB ALA A 67 -10.117 -6.133 3.986 1.00 0.00 C ATOM 0 H ALA A 67 -9.863 -3.564 4.485 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.539 -5.961 6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.846 -7.187 4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.166 -6.042 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.497 -5.639 3.237 1.00 0.00 H new ATOM 974 N MET A 68 -7.519 -5.118 5.007 1.00 0.00 N ATOM 975 CA MET A 68 -6.100 -5.222 5.324 1.00 0.00 C ATOM 976 C MET A 68 -5.844 -4.890 6.791 1.00 0.00 C ATOM 977 O MET A 68 -4.934 -5.437 7.411 1.00 0.00 O ATOM 978 CB MET A 68 -5.286 -4.286 4.428 1.00 0.00 C ATOM 979 CG MET A 68 -4.858 -4.921 3.115 1.00 0.00 C ATOM 980 SD MET A 68 -3.264 -5.755 3.234 1.00 0.00 S ATOM 981 CE MET A 68 -3.784 -7.464 3.363 1.00 0.00 C ATOM 0 H MET A 68 -7.724 -4.603 4.151 1.00 0.00 H new ATOM 0 HA MET A 68 -5.787 -6.250 5.143 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.877 -3.395 4.216 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.399 -3.958 4.970 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.616 -5.638 2.798 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.805 -4.152 2.344 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.567 -7.836 4.364 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.855 -7.534 3.175 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.247 -8.064 2.628 1.00 0.00 H new ATOM 991 N ASN A 69 -6.655 -3.991 7.339 1.00 0.00 N ATOM 992 CA ASN A 69 -6.515 -3.586 8.733 1.00 0.00 C ATOM 993 C ASN A 69 -6.721 -4.774 9.668 1.00 0.00 C ATOM 994 O ASN A 69 -7.764 -4.901 10.307 1.00 0.00 O ATOM 995 CB ASN A 69 -7.519 -2.480 9.067 1.00 0.00 C ATOM 996 CG ASN A 69 -7.374 -1.979 10.492 1.00 0.00 C ATOM 997 OD1 ASN A 69 -6.540 -2.471 11.252 1.00 0.00 O ATOM 998 ND2 ASN A 69 -8.188 -0.996 10.859 1.00 0.00 N ATOM 0 H ASN A 69 -7.415 -3.529 6.840 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.504 -3.205 8.875 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.382 -1.648 8.376 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.532 -2.855 8.918 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.137 -0.618 11.805 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.864 -0.619 10.195 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.717 -5.643 9.742 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.807 -6.809 10.601 1.00 0.00 C ATOM 1007 C GLY A 70 -5.517 -8.099 9.859 1.00 0.00 C ATOM 1008 O GLY A 70 -5.183 -9.112 10.472 1.00 0.00 O ATOM 0 H GLY A 70 -4.843 -5.560 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.104 -6.703 11.427 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.805 -6.860 11.036 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.647 -8.061 8.537 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.399 -9.238 7.712 1.00 0.00 C ATOM 1014 C GLN A 71 -4.214 -10.037 8.246 1.00 0.00 C ATOM 1015 O GLN A 71 -3.147 -9.483 8.510 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.138 -8.824 6.262 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.396 -8.769 5.410 1.00 0.00 C ATOM 1018 CD GLN A 71 -6.797 -10.129 4.873 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -7.821 -10.688 5.268 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -5.991 -10.669 3.967 1.00 0.00 N ATOM 0 H GLN A 71 -5.922 -7.229 8.015 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.286 -9.870 7.748 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.660 -7.845 6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.435 -9.526 5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.214 -8.361 6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.236 -8.086 4.576 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.153 -10.170 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.210 -11.582 3.569 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.410 -11.341 8.402 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.358 -12.217 8.907 1.00 0.00 C ATOM 1031 C TYR A 72 -2.305 -12.478 7.834 1.00 0.00 C ATOM 1032 O TYR A 72 -2.527 -13.256 6.906 1.00 0.00 O ATOM 1033 CB TYR A 72 -3.955 -13.542 9.385 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.213 -14.154 10.551 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.381 -13.665 11.841 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.342 -15.220 10.363 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.705 -14.221 12.909 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.662 -15.783 11.426 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.847 -15.280 12.697 1.00 0.00 C ATOM 1040 OH TYR A 72 -1.171 -15.837 13.758 1.00 0.00 O ATOM 0 H TYR A 72 -5.287 -11.815 8.186 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.877 -11.718 9.748 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.994 -13.381 9.671 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.959 -14.249 8.556 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.052 -12.836 12.011 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.194 -15.615 9.369 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.847 -13.829 13.905 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.990 -16.612 11.263 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.609 -16.573 13.438 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.158 -11.822 7.970 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.068 -11.982 7.014 1.00 0.00 C ATOM 1052 C LEU A 73 0.906 -13.063 7.474 1.00 0.00 C ATOM 1053 O LEU A 73 0.777 -13.601 8.574 1.00 0.00 O ATOM 1054 CB LEU A 73 0.674 -10.657 6.828 1.00 0.00 C ATOM 1055 CG LEU A 73 1.502 -10.525 5.550 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.724 -11.048 4.353 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.914 -9.076 5.329 1.00 0.00 C ATOM 0 H LEU A 73 -0.959 -11.175 8.733 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.497 -12.287 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.057 -9.848 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.335 -10.511 7.682 1.00 0.00 H new ATOM 0 HG LEU A 73 2.405 -11.126 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.330 -10.946 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.480 -12.099 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.196 -10.475 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.503 -9.001 4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.023 -8.454 5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.511 -8.735 6.174 1.00 0.00 H new ATOM 1069 N CYS A 74 1.881 -13.373 6.627 1.00 0.00 N ATOM 1070 CA CYS A 74 2.878 -14.388 6.948 1.00 0.00 C ATOM 1071 C CYS A 74 3.117 -14.459 8.452 1.00 0.00 C ATOM 1072 O CYS A 74 3.964 -13.748 8.991 1.00 0.00 O ATOM 1073 CB CYS A 74 4.192 -14.089 6.224 1.00 0.00 C ATOM 1074 SG CYS A 74 4.256 -14.704 4.525 1.00 0.00 S ATOM 0 H CYS A 74 2.002 -12.936 5.713 1.00 0.00 H new ATOM 0 HA CYS A 74 2.498 -15.353 6.613 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.352 -13.011 6.215 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.014 -14.529 6.789 1.00 0.00 H new ATOM 0 HG CYS A 74 5.404 -14.401 3.997 1.00 0.00 H new ATOM 1080 N ASN A 75 2.363 -15.322 9.126 1.00 0.00 N ATOM 1081 CA ASN A 75 2.491 -15.485 10.569 1.00 0.00 C ATOM 1082 C ASN A 75 2.770 -14.146 11.245 1.00 0.00 C ATOM 1083 O ASN A 75 3.687 -14.028 12.057 1.00 0.00 O ATOM 1084 CB ASN A 75 3.611 -16.476 10.894 1.00 0.00 C ATOM 1085 CG ASN A 75 3.433 -17.123 12.254 1.00 0.00 C ATOM 1086 OD1 ASN A 75 3.311 -18.445 12.269 1.00 0.00 O flip ATOM 1087 ND2 ASN A 75 3.407 -16.442 13.279 1.00 0.00 N flip ATOM 0 H ASN A 75 1.657 -15.919 8.695 1.00 0.00 H new ATOM 0 HA ASN A 75 1.547 -15.875 10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.641 -17.250 10.127 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.570 -15.959 10.863 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.505 -15.428 13.220 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.288 -16.891 14.187 1.00 0.00 H new ATOM 1094 N ARG A 76 1.971 -13.140 10.904 1.00 0.00 N ATOM 1095 CA ARG A 76 2.132 -11.809 11.477 1.00 0.00 C ATOM 1096 C ARG A 76 0.963 -10.907 11.093 1.00 0.00 C ATOM 1097 O ARG A 76 0.809 -10.506 9.939 1.00 0.00 O ATOM 1098 CB ARG A 76 3.447 -11.184 11.009 1.00 0.00 C ATOM 1099 CG ARG A 76 4.660 -11.661 11.792 1.00 0.00 C ATOM 1100 CD ARG A 76 5.720 -10.574 11.892 1.00 0.00 C ATOM 1101 NE ARG A 76 6.546 -10.725 13.087 1.00 0.00 N ATOM 1102 CZ ARG A 76 7.658 -10.031 13.304 1.00 0.00 C ATOM 1103 NH1 ARG A 76 8.073 -9.142 12.412 1.00 0.00 N ATOM 1104 NH2 ARG A 76 8.356 -10.224 14.416 1.00 0.00 N ATOM 0 H ARG A 76 1.206 -13.221 10.234 1.00 0.00 H new ATOM 0 HA ARG A 76 2.151 -11.908 12.562 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.593 -11.413 9.953 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.374 -10.100 11.093 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.352 -11.964 12.793 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.084 -12.541 11.308 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.355 -10.604 11.006 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.237 -9.597 11.906 1.00 0.00 H new ATOM 0 HE ARG A 76 6.253 -11.400 13.793 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.538 -8.990 11.557 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.927 -8.610 12.581 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.039 -10.906 15.105 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.210 -9.691 14.581 1.00 0.00 H new ATOM 1118 N PRO A 77 0.118 -10.579 12.081 1.00 0.00 N ATOM 1119 CA PRO A 77 -1.052 -9.721 11.871 1.00 0.00 C ATOM 1120 C PRO A 77 -0.666 -8.273 11.589 1.00 0.00 C ATOM 1121 O PRO A 77 -0.221 -7.554 12.485 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.810 -9.824 13.197 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.768 -10.170 14.204 1.00 0.00 C ATOM 1124 CD PRO A 77 0.239 -11.021 13.481 1.00 0.00 C ATOM 0 HA PRO A 77 -1.636 -10.033 11.005 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.303 -8.884 13.445 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.585 -10.589 13.151 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.302 -9.271 14.608 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.202 -10.709 15.046 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.247 -10.865 13.866 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.018 -12.083 13.588 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.839 -7.852 10.341 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.510 -6.489 9.943 1.00 0.00 C ATOM 1134 C ILE A 78 -1.657 -5.533 10.254 1.00 0.00 C ATOM 1135 O ILE A 78 -2.755 -5.959 10.615 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.180 -6.405 8.441 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.417 -6.742 7.606 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.969 -7.342 8.098 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.222 -6.523 6.122 1.00 0.00 C ATOM 0 H ILE A 78 -1.205 -8.435 9.588 1.00 0.00 H new ATOM 0 HA ILE A 78 0.369 -6.197 10.517 1.00 0.00 H new ATOM 0 HB ILE A 78 0.127 -5.385 8.207 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.689 -7.783 7.779 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.253 -6.133 7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.191 -7.271 7.033 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.852 -7.060 8.672 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.689 -8.366 8.343 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.139 -6.782 5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.980 -5.476 5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.407 -7.153 5.765 1.00 0.00 H new ATOM 1151 N THR A 79 -1.395 -4.237 10.111 1.00 0.00 N ATOM 1152 CA THR A 79 -2.405 -3.220 10.376 1.00 0.00 C ATOM 1153 C THR A 79 -2.348 -2.105 9.338 1.00 0.00 C ATOM 1154 O THR A 79 -1.295 -1.836 8.758 1.00 0.00 O ATOM 1155 CB THR A 79 -2.232 -2.609 11.779 1.00 0.00 C ATOM 1156 OG1 THR A 79 -3.180 -1.554 11.974 1.00 0.00 O ATOM 1157 CG2 THR A 79 -0.821 -2.071 11.965 1.00 0.00 C ATOM 0 H THR A 79 -0.492 -3.867 9.813 1.00 0.00 H new ATOM 0 HA THR A 79 -3.374 -3.715 10.320 1.00 0.00 H new ATOM 0 HB THR A 79 -2.405 -3.393 12.516 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.065 -1.172 12.869 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.723 -1.644 12.963 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.103 -2.883 11.845 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.624 -1.300 11.220 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.486 -1.458 9.107 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.564 -0.370 8.140 1.00 0.00 C ATOM 1167 C VAL A 80 -4.256 0.849 8.739 1.00 0.00 C ATOM 1168 O VAL A 80 -5.396 0.767 9.198 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.320 -0.802 6.869 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.246 0.285 5.808 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.763 -2.115 6.339 1.00 0.00 C ATOM 0 H VAL A 80 -4.367 -1.669 9.577 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.540 -0.109 7.874 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.368 -0.955 7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.786 -0.038 4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.696 1.200 6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.203 0.473 5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.308 -2.406 5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.707 -1.992 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.874 -2.890 7.098 1.00 0.00 H new ATOM 1181 N SER A 81 -3.559 1.981 8.732 1.00 0.00 N ATOM 1182 CA SER A 81 -4.105 3.218 9.278 1.00 0.00 C ATOM 1183 C SER A 81 -3.522 4.432 8.562 1.00 0.00 C ATOM 1184 O SER A 81 -2.315 4.511 8.332 1.00 0.00 O ATOM 1185 CB SER A 81 -3.816 3.310 10.778 1.00 0.00 C ATOM 1186 OG SER A 81 -4.834 2.677 11.533 1.00 0.00 O ATOM 0 H SER A 81 -2.615 2.067 8.354 1.00 0.00 H new ATOM 0 HA SER A 81 -5.184 3.209 9.122 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.855 2.844 10.996 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.737 4.356 11.073 1.00 0.00 H new ATOM 0 HG SER A 81 -5.237 1.959 11.002 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.388 5.376 8.210 1.00 0.00 N ATOM 1193 CA TYR A 82 -3.961 6.585 7.517 1.00 0.00 C ATOM 1194 C TYR A 82 -2.756 7.213 8.209 1.00 0.00 C ATOM 1195 O TYR A 82 -2.736 7.364 9.430 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.109 7.594 7.453 1.00 0.00 C ATOM 1197 CG TYR A 82 -5.991 7.432 6.235 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.479 7.599 4.955 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.337 7.111 6.366 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.281 7.452 3.840 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.146 6.961 5.257 1.00 0.00 C ATOM 1202 CZ TYR A 82 -7.614 7.133 3.996 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.416 6.985 2.888 1.00 0.00 O ATOM 0 H TYR A 82 -5.390 5.327 8.393 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.672 6.309 6.503 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.720 7.493 8.350 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.696 8.603 7.460 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.436 7.848 4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.757 6.977 7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.867 7.586 2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.190 6.710 5.376 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.327 6.759 3.171 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.751 7.578 7.419 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.542 8.192 7.953 1.00 0.00 C ATOM 1215 C ALA A 83 -0.855 9.524 8.626 1.00 0.00 C ATOM 1216 O ALA A 83 -1.372 10.445 7.993 1.00 0.00 O ATOM 1217 CB ALA A 83 0.485 8.385 6.848 1.00 0.00 C ATOM 0 H ALA A 83 -1.751 7.459 6.406 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.126 7.523 8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.383 8.845 7.262 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.739 7.418 6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.070 9.031 6.075 1.00 0.00 H new