USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 464 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 4 ASN : amide:sc= -2.7! K(o=-2.7!,f=-0.45) USER MOD Single : A 9 ASN : amide:sc=-0.00733 X(o=-0.0073,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -1.16! C(o=-1.2!,f=-11!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -160:sc= -1.33 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -0.0267 (180deg=-0.332) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 2.823 2.825 8.847 1.00 0.00 N ATOM 33 CA GLU A 3 1.761 3.088 9.810 1.00 0.00 C ATOM 34 C GLU A 3 0.873 4.231 9.328 1.00 0.00 C ATOM 35 O GLU A 3 -0.119 4.565 9.970 1.00 0.00 O ATOM 36 CB GLU A 3 2.365 3.445 11.170 1.00 0.00 C ATOM 37 CG GLU A 3 3.323 4.625 11.010 1.00 0.00 C ATOM 38 CD GLU A 3 3.973 4.954 12.350 1.00 0.00 C ATOM 39 OE1 GLU A 3 4.303 4.026 13.069 1.00 0.00 O ATOM 40 OE2 GLU A 3 4.131 6.129 12.636 1.00 0.00 O ATOM 0 HA GLU A 3 1.154 2.188 9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.574 3.699 11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.895 2.586 11.581 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.090 4.384 10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.783 5.494 10.635 1.00 0.00 H new ATOM 47 N ASN A 4 1.237 4.828 8.194 1.00 0.00 N ATOM 48 CA ASN A 4 0.462 5.940 7.627 1.00 0.00 C ATOM 49 C ASN A 4 -0.149 5.545 6.286 1.00 0.00 C ATOM 50 O ASN A 4 -0.888 6.320 5.679 1.00 0.00 O ATOM 51 CB ASN A 4 1.366 7.161 7.437 1.00 0.00 C ATOM 52 CG ASN A 4 1.841 7.677 8.794 1.00 0.00 C ATOM 53 OD1 ASN A 4 2.832 8.403 8.869 1.00 0.00 O ATOM 54 ND2 ASN A 4 1.192 7.340 9.874 1.00 0.00 N ATOM 0 H ASN A 4 2.058 4.565 7.649 1.00 0.00 H new ATOM 0 HA ASN A 4 -0.343 6.185 8.320 1.00 0.00 H new ATOM 0 HB2 ASN A 4 2.224 6.896 6.819 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.824 7.946 6.910 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.505 7.678 10.784 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.371 6.738 9.809 1.00 0.00 H new ATOM 61 N LEU A 5 0.163 4.333 5.827 1.00 0.00 N ATOM 62 CA LEU A 5 -0.360 3.836 4.549 1.00 0.00 C ATOM 63 C LEU A 5 -1.433 2.773 4.783 1.00 0.00 C ATOM 64 O LEU A 5 -2.620 3.023 4.583 1.00 0.00 O ATOM 65 CB LEU A 5 0.792 3.247 3.712 1.00 0.00 C ATOM 66 CG LEU A 5 1.504 4.366 2.939 1.00 0.00 C ATOM 67 CD1 LEU A 5 2.035 5.423 3.918 1.00 0.00 C ATOM 68 CD2 LEU A 5 2.667 3.769 2.140 1.00 0.00 C ATOM 0 H LEU A 5 0.772 3.678 6.317 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.812 4.667 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.501 2.735 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.404 2.503 3.016 1.00 0.00 H new ATOM 0 HG LEU A 5 0.798 4.840 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.539 6.214 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.204 5.848 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.740 4.959 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.175 4.561 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.371 3.293 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.284 3.028 1.438 1.00 0.00 H new ATOM 80 N VAL A 6 -1.005 1.583 5.195 1.00 0.00 N ATOM 81 CA VAL A 6 -1.939 0.487 5.430 1.00 0.00 C ATOM 82 C VAL A 6 -3.142 0.961 6.241 1.00 0.00 C ATOM 83 O VAL A 6 -4.258 0.482 6.043 1.00 0.00 O ATOM 84 CB VAL A 6 -1.236 -0.644 6.187 1.00 0.00 C ATOM 85 CG1 VAL A 6 -0.855 -0.162 7.589 1.00 0.00 C ATOM 86 CG2 VAL A 6 -2.177 -1.844 6.300 1.00 0.00 C ATOM 0 H VAL A 6 -0.027 1.354 5.372 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.287 0.125 4.463 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.336 -0.937 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.355 -0.967 8.127 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.184 0.693 7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.755 0.132 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.677 -2.649 6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.077 -1.551 6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.448 -2.189 5.302 1.00 0.00 H new ATOM 96 N VAL A 7 -2.912 1.904 7.147 1.00 0.00 N ATOM 97 CA VAL A 7 -3.993 2.432 7.972 1.00 0.00 C ATOM 98 C VAL A 7 -4.990 3.212 7.122 1.00 0.00 C ATOM 99 O VAL A 7 -6.200 3.115 7.324 1.00 0.00 O ATOM 100 CB VAL A 7 -3.425 3.348 9.059 1.00 0.00 C ATOM 101 CG1 VAL A 7 -2.336 2.605 9.834 1.00 0.00 C ATOM 102 CG2 VAL A 7 -2.825 4.599 8.412 1.00 0.00 C ATOM 0 H VAL A 7 -1.997 2.316 7.328 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.508 1.591 8.436 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.224 3.639 9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.931 3.257 10.608 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.762 1.714 10.296 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.538 2.314 9.151 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.421 5.251 9.186 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.027 4.308 7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.600 5.130 7.859 1.00 0.00 H new ATOM 112 N LEU A 8 -4.480 3.998 6.178 1.00 0.00 N ATOM 113 CA LEU A 8 -5.352 4.799 5.325 1.00 0.00 C ATOM 114 C LEU A 8 -6.285 3.886 4.531 1.00 0.00 C ATOM 115 O LEU A 8 -7.504 4.050 4.560 1.00 0.00 O ATOM 116 CB LEU A 8 -4.495 5.649 4.363 1.00 0.00 C ATOM 117 CG LEU A 8 -5.237 6.946 3.972 1.00 0.00 C ATOM 118 CD1 LEU A 8 -6.621 6.596 3.408 1.00 0.00 C ATOM 119 CD2 LEU A 8 -5.387 7.869 5.210 1.00 0.00 C ATOM 0 H LEU A 8 -3.483 4.097 5.986 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.955 5.462 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.545 5.896 4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.264 5.072 3.467 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.661 7.472 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.144 7.512 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.506 5.965 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.198 6.062 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.911 8.780 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.955 7.352 5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.400 8.124 5.595 1.00 0.00 H new ATOM 131 N ASN A 9 -5.704 2.917 3.827 1.00 0.00 N ATOM 132 CA ASN A 9 -6.500 1.990 3.033 1.00 0.00 C ATOM 133 C ASN A 9 -7.415 1.172 3.935 1.00 0.00 C ATOM 134 O ASN A 9 -8.599 1.004 3.648 1.00 0.00 O ATOM 135 CB ASN A 9 -5.581 1.050 2.251 1.00 0.00 C ATOM 136 CG ASN A 9 -6.414 0.068 1.435 1.00 0.00 C ATOM 137 OD1 ASN A 9 -6.882 0.404 0.348 1.00 0.00 O ATOM 138 ND2 ASN A 9 -6.627 -1.135 1.896 1.00 0.00 N ATOM 0 H ASN A 9 -4.697 2.756 3.791 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.109 2.565 2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -4.933 1.627 1.591 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.933 0.507 2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.182 -1.798 1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.238 -1.412 2.797 1.00 0.00 H new ATOM 145 N ALA A 10 -6.856 0.677 5.034 1.00 0.00 N ATOM 146 CA ALA A 10 -7.627 -0.113 5.984 1.00 0.00 C ATOM 147 C ALA A 10 -8.697 0.749 6.641 1.00 0.00 C ATOM 148 O ALA A 10 -9.787 0.271 6.957 1.00 0.00 O ATOM 149 CB ALA A 10 -6.707 -0.701 7.055 1.00 0.00 C ATOM 0 H ALA A 10 -5.877 0.808 5.287 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.109 -0.928 5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.297 -1.289 7.758 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.961 -1.341 6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.206 0.107 7.588 1.00 0.00 H new ATOM 155 N ALA A 11 -8.375 2.022 6.847 1.00 0.00 N ATOM 156 CA ALA A 11 -9.313 2.947 7.467 1.00 0.00 C ATOM 157 C ALA A 11 -10.539 3.134 6.583 1.00 0.00 C ATOM 158 O ALA A 11 -11.659 3.252 7.074 1.00 0.00 O ATOM 159 CB ALA A 11 -8.645 4.300 7.703 1.00 0.00 C ATOM 0 H ALA A 11 -7.476 2.434 6.595 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.624 2.528 8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.358 4.982 8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.785 4.171 8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.315 4.714 6.750 1.00 0.00 H new ATOM 165 N SER A 12 -10.320 3.162 5.274 1.00 0.00 N ATOM 166 CA SER A 12 -11.419 3.337 4.333 1.00 0.00 C ATOM 167 C SER A 12 -12.549 2.365 4.654 1.00 0.00 C ATOM 168 O SER A 12 -13.721 2.662 4.422 1.00 0.00 O ATOM 169 CB SER A 12 -10.931 3.096 2.905 1.00 0.00 C ATOM 170 OG SER A 12 -11.992 3.360 1.998 1.00 0.00 O ATOM 0 H SER A 12 -9.400 3.067 4.843 1.00 0.00 H new ATOM 0 HA SER A 12 -11.790 4.358 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.080 3.740 2.685 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.589 2.067 2.794 1.00 0.00 H new ATOM 0 HG SER A 12 -11.683 3.208 1.080 1.00 0.00 H new ATOM 176 N VAL A 13 -12.189 1.202 5.194 1.00 0.00 N ATOM 177 CA VAL A 13 -13.180 0.190 5.551 1.00 0.00 C ATOM 178 C VAL A 13 -13.660 0.396 6.986 1.00 0.00 C ATOM 179 O VAL A 13 -14.862 0.430 7.250 1.00 0.00 O ATOM 180 CB VAL A 13 -12.576 -1.209 5.410 1.00 0.00 C ATOM 181 CG1 VAL A 13 -13.636 -2.259 5.748 1.00 0.00 C ATOM 182 CG2 VAL A 13 -12.097 -1.414 3.972 1.00 0.00 C ATOM 0 H VAL A 13 -11.224 0.938 5.393 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.030 0.287 4.875 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.733 -1.311 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.206 -3.256 5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.979 -2.113 6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.480 -2.157 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.667 -2.410 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.941 -1.312 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.342 -0.666 3.730 1.00 0.00 H new ATOM 192 N ALA A 14 -12.712 0.531 7.911 1.00 0.00 N ATOM 193 CA ALA A 14 -13.052 0.731 9.315 1.00 0.00 C ATOM 194 C ALA A 14 -13.788 2.054 9.510 1.00 0.00 C ATOM 195 O ALA A 14 -14.852 2.099 10.128 1.00 0.00 O ATOM 196 CB ALA A 14 -11.781 0.721 10.166 1.00 0.00 C ATOM 0 H ALA A 14 -11.711 0.506 7.715 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.707 -0.082 9.628 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.043 0.871 11.213 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.275 -0.237 10.052 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.118 1.522 9.840 1.00 0.00 H new ATOM 202 N GLY A 15 -13.213 3.130 8.976 1.00 0.00 N ATOM 203 CA GLY A 15 -13.811 4.463 9.089 1.00 0.00 C ATOM 204 C GLY A 15 -12.909 5.400 9.887 1.00 0.00 C ATOM 205 O GLY A 15 -13.216 6.581 10.047 1.00 0.00 O ATOM 0 H GLY A 15 -12.333 3.107 8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.981 4.875 8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.785 4.389 9.574 1.00 0.00 H new ATOM 209 N ALA A 16 -11.796 4.866 10.384 1.00 0.00 N ATOM 210 CA ALA A 16 -10.860 5.670 11.160 1.00 0.00 C ATOM 211 C ALA A 16 -10.314 6.816 10.311 1.00 0.00 C ATOM 212 O ALA A 16 -11.040 7.750 9.986 1.00 0.00 O ATOM 213 CB ALA A 16 -9.707 4.794 11.655 1.00 0.00 C ATOM 0 H ALA A 16 -11.523 3.890 10.264 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.386 6.089 12.018 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.011 5.401 12.234 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.101 3.995 12.283 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.186 4.361 10.801 1.00 0.00 H new ATOM 219 N HIS A 17 -9.029 6.745 9.970 1.00 0.00 N ATOM 220 CA HIS A 17 -8.389 7.793 9.173 1.00 0.00 C ATOM 221 C HIS A 17 -9.276 8.207 7.996 1.00 0.00 C ATOM 222 O HIS A 17 -9.039 9.233 7.358 1.00 0.00 O ATOM 223 CB HIS A 17 -7.048 7.287 8.634 1.00 0.00 C ATOM 224 CG HIS A 17 -6.173 6.870 9.784 1.00 0.00 C ATOM 225 ND1 HIS A 17 -6.427 5.724 10.519 1.00 0.00 N ATOM 226 CD2 HIS A 17 -5.043 7.425 10.334 1.00 0.00 C ATOM 227 CE1 HIS A 17 -5.472 5.626 11.462 1.00 0.00 C ATOM 228 NE2 HIS A 17 -4.602 6.637 11.393 1.00 0.00 N ATOM 0 H HIS A 17 -8.411 5.977 10.231 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.232 8.659 9.816 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.208 6.445 7.961 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.558 8.069 8.055 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.198 5.073 10.372 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.569 8.335 9.996 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.416 4.827 12.186 1.00 0.00 H new ATOM 236 N GLY A 18 -10.303 7.408 7.722 1.00 0.00 N ATOM 237 CA GLY A 18 -11.225 7.712 6.631 1.00 0.00 C ATOM 238 C GLY A 18 -12.052 8.953 6.956 1.00 0.00 C ATOM 239 O GLY A 18 -12.223 9.839 6.117 1.00 0.00 O ATOM 0 H GLY A 18 -10.517 6.553 8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.666 7.872 5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.886 6.863 6.459 1.00 0.00 H new ATOM 243 N ILE A 19 -12.566 9.003 8.181 1.00 0.00 N ATOM 244 CA ILE A 19 -13.384 10.132 8.618 1.00 0.00 C ATOM 245 C ILE A 19 -12.714 11.452 8.245 1.00 0.00 C ATOM 246 O ILE A 19 -13.376 12.480 8.110 1.00 0.00 O ATOM 247 CB ILE A 19 -13.591 10.088 10.141 1.00 0.00 C ATOM 248 CG1 ILE A 19 -14.677 11.096 10.535 1.00 0.00 C ATOM 249 CG2 ILE A 19 -12.280 10.447 10.862 1.00 0.00 C ATOM 250 CD1 ILE A 19 -15.045 10.901 12.006 1.00 0.00 C ATOM 0 H ILE A 19 -12.432 8.279 8.887 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.350 10.061 8.118 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.895 9.082 10.431 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -14.321 12.113 10.370 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.558 10.961 9.908 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.437 10.413 11.940 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.505 9.732 10.585 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -11.968 11.450 10.572 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -15.817 11.618 12.286 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.418 9.888 12.156 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.162 11.058 12.626 1.00 0.00 H new ATOM 262 N LEU A 20 -11.396 11.418 8.085 1.00 0.00 N ATOM 263 CA LEU A 20 -10.670 12.629 7.733 1.00 0.00 C ATOM 264 C LEU A 20 -11.093 13.108 6.350 1.00 0.00 C ATOM 265 O LEU A 20 -11.335 14.295 6.141 1.00 0.00 O ATOM 266 CB LEU A 20 -9.150 12.374 7.756 1.00 0.00 C ATOM 267 CG LEU A 20 -8.348 13.646 7.365 1.00 0.00 C ATOM 268 CD1 LEU A 20 -8.402 13.900 5.835 1.00 0.00 C ATOM 269 CD2 LEU A 20 -8.897 14.875 8.114 1.00 0.00 C ATOM 0 H LEU A 20 -10.820 10.583 8.191 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.906 13.399 8.467 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.851 12.047 8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.906 11.564 7.068 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.308 13.482 7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.831 14.797 5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.975 13.046 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.438 14.035 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.326 15.759 7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.945 15.021 7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.809 14.715 9.189 1.00 0.00 H new ATOM 281 N SER A 21 -11.187 12.171 5.414 1.00 0.00 N ATOM 282 CA SER A 21 -11.572 12.512 4.051 1.00 0.00 C ATOM 283 C SER A 21 -12.856 13.328 4.050 1.00 0.00 C ATOM 284 O SER A 21 -12.975 14.306 3.318 1.00 0.00 O ATOM 285 CB SER A 21 -11.774 11.240 3.226 1.00 0.00 C ATOM 286 OG SER A 21 -12.459 11.568 2.024 1.00 0.00 O ATOM 0 H SER A 21 -11.004 11.180 5.571 1.00 0.00 H new ATOM 0 HA SER A 21 -10.773 13.106 3.607 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.811 10.784 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.346 10.509 3.797 1.00 0.00 H new ATOM 0 HG SER A 21 -12.590 10.757 1.490 1.00 0.00 H new ATOM 292 N PHE A 22 -13.817 12.925 4.868 1.00 0.00 N ATOM 293 CA PHE A 22 -15.078 13.645 4.942 1.00 0.00 C ATOM 294 C PHE A 22 -14.850 15.065 5.476 1.00 0.00 C ATOM 295 O PHE A 22 -15.389 16.030 4.933 1.00 0.00 O ATOM 296 CB PHE A 22 -16.072 12.871 5.847 1.00 0.00 C ATOM 297 CG PHE A 22 -17.128 12.184 5.004 1.00 0.00 C ATOM 298 CD1 PHE A 22 -18.208 12.924 4.508 1.00 0.00 C ATOM 299 CD2 PHE A 22 -17.027 10.818 4.716 1.00 0.00 C ATOM 300 CE1 PHE A 22 -19.185 12.299 3.724 1.00 0.00 C ATOM 301 CE2 PHE A 22 -18.004 10.192 3.932 1.00 0.00 C ATOM 302 CZ PHE A 22 -19.082 10.933 3.435 1.00 0.00 C ATOM 0 H PHE A 22 -13.749 12.114 5.482 1.00 0.00 H new ATOM 0 HA PHE A 22 -15.504 13.723 3.942 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -15.534 12.132 6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -16.547 13.558 6.548 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -18.287 13.978 4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.195 10.246 5.099 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -20.018 12.871 3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -17.926 9.138 3.711 1.00 0.00 H new ATOM 0 HZ PHE A 22 -19.835 10.451 2.828 1.00 0.00 H new ATOM 312 N LEU A 23 -14.083 15.188 6.558 1.00 0.00 N ATOM 313 CA LEU A 23 -13.845 16.494 7.173 1.00 0.00 C ATOM 314 C LEU A 23 -13.289 17.508 6.162 1.00 0.00 C ATOM 315 O LEU A 23 -13.768 18.640 6.090 1.00 0.00 O ATOM 316 CB LEU A 23 -12.830 16.329 8.329 1.00 0.00 C ATOM 317 CG LEU A 23 -13.115 17.345 9.445 1.00 0.00 C ATOM 318 CD1 LEU A 23 -12.052 17.218 10.540 1.00 0.00 C ATOM 319 CD2 LEU A 23 -13.097 18.768 8.872 1.00 0.00 C ATOM 0 H LEU A 23 -13.619 14.408 7.024 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.798 16.872 7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.886 15.316 8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.816 16.468 7.953 1.00 0.00 H new ATOM 0 HG LEU A 23 -14.098 17.143 9.870 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -12.256 17.940 11.331 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.075 16.210 10.954 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.067 17.414 10.116 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.300 19.484 9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.118 18.974 8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.861 18.859 8.100 1.00 0.00 H new ATOM 331 N VAL A 24 -12.299 17.099 5.371 1.00 0.00 N ATOM 332 CA VAL A 24 -11.719 17.993 4.370 1.00 0.00 C ATOM 333 C VAL A 24 -12.716 18.264 3.248 1.00 0.00 C ATOM 334 O VAL A 24 -12.824 19.391 2.763 1.00 0.00 O ATOM 335 CB VAL A 24 -10.425 17.388 3.808 1.00 0.00 C ATOM 336 CG1 VAL A 24 -10.696 15.977 3.287 1.00 0.00 C ATOM 337 CG2 VAL A 24 -9.901 18.255 2.662 1.00 0.00 C ATOM 0 H VAL A 24 -11.886 16.167 5.402 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.481 18.943 4.849 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.681 17.347 4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.774 15.553 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.061 15.352 4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.446 16.019 2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.983 17.820 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.649 18.303 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.698 19.261 3.030 1.00 0.00 H new ATOM 347 N PHE A 25 -13.442 17.228 2.839 1.00 0.00 N ATOM 348 CA PHE A 25 -14.426 17.374 1.771 1.00 0.00 C ATOM 349 C PHE A 25 -15.563 18.293 2.218 1.00 0.00 C ATOM 350 O PHE A 25 -16.070 19.091 1.430 1.00 0.00 O ATOM 351 CB PHE A 25 -14.981 15.982 1.368 1.00 0.00 C ATOM 352 CG PHE A 25 -14.382 15.531 0.049 1.00 0.00 C ATOM 353 CD1 PHE A 25 -14.927 15.998 -1.153 1.00 0.00 C ATOM 354 CD2 PHE A 25 -13.287 14.659 0.029 1.00 0.00 C ATOM 355 CE1 PHE A 25 -14.377 15.593 -2.375 1.00 0.00 C ATOM 356 CE2 PHE A 25 -12.737 14.254 -1.193 1.00 0.00 C ATOM 357 CZ PHE A 25 -13.281 14.721 -2.395 1.00 0.00 C ATOM 0 H PHE A 25 -13.369 16.287 3.226 1.00 0.00 H new ATOM 0 HA PHE A 25 -13.941 17.823 0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -14.752 15.254 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -16.067 16.028 1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -15.772 16.671 -1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -12.867 14.299 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -14.798 15.953 -3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.893 13.581 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.856 14.409 -3.338 1.00 0.00 H new ATOM 367 N PHE A 26 -15.962 18.169 3.482 1.00 0.00 N ATOM 368 CA PHE A 26 -17.039 18.994 4.012 1.00 0.00 C ATOM 369 C PHE A 26 -16.549 20.413 4.282 1.00 0.00 C ATOM 370 O PHE A 26 -17.185 21.387 3.880 1.00 0.00 O ATOM 371 CB PHE A 26 -17.578 18.382 5.307 1.00 0.00 C ATOM 372 CG PHE A 26 -18.764 19.184 5.784 1.00 0.00 C ATOM 373 CD1 PHE A 26 -20.050 18.882 5.318 1.00 0.00 C ATOM 374 CD2 PHE A 26 -18.579 20.231 6.694 1.00 0.00 C ATOM 375 CE1 PHE A 26 -21.149 19.627 5.762 1.00 0.00 C ATOM 376 CE2 PHE A 26 -19.678 20.976 7.138 1.00 0.00 C ATOM 377 CZ PHE A 26 -20.963 20.675 6.672 1.00 0.00 C ATOM 0 H PHE A 26 -15.559 17.512 4.150 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.836 19.035 3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.870 17.345 5.138 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.800 18.374 6.070 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.194 18.074 4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.588 20.464 7.054 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -22.140 19.393 5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -19.534 21.784 7.841 1.00 0.00 H new ATOM 0 HZ PHE A 26 -21.810 21.251 7.014 1.00 0.00 H new ATOM 387 N SER A 27 -15.414 20.521 4.969 1.00 0.00 N ATOM 388 CA SER A 27 -14.852 21.826 5.295 1.00 0.00 C ATOM 389 C SER A 27 -14.626 22.638 4.027 1.00 0.00 C ATOM 390 O SER A 27 -14.915 23.833 3.987 1.00 0.00 O ATOM 391 CB SER A 27 -13.522 21.657 6.026 1.00 0.00 C ATOM 392 OG SER A 27 -13.748 21.021 7.277 1.00 0.00 O ATOM 0 H SER A 27 -14.871 19.727 5.308 1.00 0.00 H new ATOM 0 HA SER A 27 -15.558 22.352 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.836 21.063 5.422 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.053 22.629 6.179 1.00 0.00 H new ATOM 0 HG SER A 27 -12.988 21.190 7.872 1.00 0.00 H new ATOM 398 N ALA A 28 -14.117 21.982 2.989 1.00 0.00 N ATOM 399 CA ALA A 28 -13.873 22.659 1.725 1.00 0.00 C ATOM 400 C ALA A 28 -15.193 23.034 1.067 1.00 0.00 C ATOM 401 O ALA A 28 -15.327 24.112 0.490 1.00 0.00 O ATOM 402 CB ALA A 28 -13.071 21.750 0.791 1.00 0.00 C ATOM 0 H ALA A 28 -13.868 20.993 2.999 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.302 23.567 1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -12.893 22.265 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.116 21.503 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.632 20.834 0.605 1.00 0.00 H new ATOM 408 N ALA A 29 -16.168 22.133 1.160 1.00 0.00 N ATOM 409 CA ALA A 29 -17.476 22.376 0.567 1.00 0.00 C ATOM 410 C ALA A 29 -18.120 23.613 1.180 1.00 0.00 C ATOM 411 O ALA A 29 -18.738 24.407 0.478 1.00 0.00 O ATOM 412 CB ALA A 29 -18.389 21.169 0.793 1.00 0.00 C ATOM 0 H ALA A 29 -16.077 21.236 1.637 1.00 0.00 H new ATOM 0 HA ALA A 29 -17.340 22.536 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -19.364 21.362 0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.946 20.286 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.508 20.998 1.863 1.00 0.00 H new ATOM 418 N TRP A 30 -17.965 23.770 2.491 1.00 0.00 N ATOM 419 CA TRP A 30 -18.541 24.917 3.185 1.00 0.00 C ATOM 420 C TRP A 30 -18.174 26.209 2.458 1.00 0.00 C ATOM 421 O TRP A 30 -18.937 27.174 2.458 1.00 0.00 O ATOM 422 CB TRP A 30 -18.030 24.966 4.641 1.00 0.00 C ATOM 423 CG TRP A 30 -19.059 25.607 5.523 1.00 0.00 C ATOM 424 CD1 TRP A 30 -18.903 26.774 6.189 1.00 0.00 C ATOM 425 CD2 TRP A 30 -20.401 25.133 5.835 1.00 0.00 C ATOM 426 NE1 TRP A 30 -20.063 27.046 6.892 1.00 0.00 N ATOM 427 CE2 TRP A 30 -21.016 26.065 6.705 1.00 0.00 C ATOM 428 CE3 TRP A 30 -21.138 23.997 5.453 1.00 0.00 C ATOM 429 CZ2 TRP A 30 -22.316 25.877 7.178 1.00 0.00 C ATOM 430 CZ3 TRP A 30 -22.446 23.805 5.926 1.00 0.00 C ATOM 431 CH2 TRP A 30 -23.033 24.742 6.787 1.00 0.00 C ATOM 0 H TRP A 30 -17.450 23.124 3.090 1.00 0.00 H new ATOM 0 HA TRP A 30 -19.626 24.814 3.195 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -17.814 23.958 4.994 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -17.097 25.527 4.689 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -18.018 27.392 6.174 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -20.198 27.871 7.477 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -20.695 23.268 4.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -22.764 26.602 7.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -23.003 22.930 5.625 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -24.039 24.588 7.148 1.00 0.00 H new ATOM 442 N TYR A 31 -16.995 26.219 1.851 1.00 0.00 N ATOM 443 CA TYR A 31 -16.530 27.398 1.134 1.00 0.00 C ATOM 444 C TYR A 31 -17.513 27.761 0.022 1.00 0.00 C ATOM 445 O TYR A 31 -17.605 28.918 -0.385 1.00 0.00 O ATOM 446 CB TYR A 31 -15.137 27.126 0.535 1.00 0.00 C ATOM 447 CG TYR A 31 -14.399 28.433 0.327 1.00 0.00 C ATOM 448 CD1 TYR A 31 -14.731 29.265 -0.749 1.00 0.00 C ATOM 449 CD2 TYR A 31 -13.394 28.815 1.223 1.00 0.00 C ATOM 450 CE1 TYR A 31 -14.055 30.478 -0.930 1.00 0.00 C ATOM 451 CE2 TYR A 31 -12.718 30.027 1.041 1.00 0.00 C ATOM 452 CZ TYR A 31 -13.049 30.858 -0.035 1.00 0.00 C ATOM 453 OH TYR A 31 -12.383 32.054 -0.213 1.00 0.00 O ATOM 0 H TYR A 31 -16.348 25.431 1.840 1.00 0.00 H new ATOM 0 HA TYR A 31 -16.465 28.234 1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -14.566 26.478 1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.237 26.600 -0.414 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -15.508 28.971 -1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -13.140 28.175 2.055 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -14.310 31.120 -1.760 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.941 30.321 1.731 1.00 0.00 H new ATOM 0 HH TYR A 31 -11.716 32.166 0.496 1.00 0.00 H new ATOM 463 N ILE A 32 -18.243 26.760 -0.465 1.00 0.00 N ATOM 464 CA ILE A 32 -19.213 26.982 -1.532 1.00 0.00 C ATOM 465 C ILE A 32 -20.342 27.902 -1.062 1.00 0.00 C ATOM 466 O ILE A 32 -20.894 28.672 -1.848 1.00 0.00 O ATOM 467 CB ILE A 32 -19.795 25.629 -2.012 1.00 0.00 C ATOM 468 CG1 ILE A 32 -20.282 25.765 -3.461 1.00 0.00 C ATOM 469 CG2 ILE A 32 -20.974 25.199 -1.121 1.00 0.00 C ATOM 470 CD1 ILE A 32 -20.829 24.422 -3.946 1.00 0.00 C ATOM 0 H ILE A 32 -18.182 25.795 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.701 27.466 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.012 24.873 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -21.057 26.529 -3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.462 26.088 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.369 24.247 -1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.632 25.090 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -21.758 25.955 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -21.174 24.520 -4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.042 23.670 -3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.661 24.118 -3.311 1.00 0.00 H new ATOM 482 N LYS A 33 -20.698 27.797 0.214 1.00 0.00 N ATOM 483 CA LYS A 33 -21.778 28.611 0.758 1.00 0.00 C ATOM 484 C LYS A 33 -21.362 30.076 0.820 1.00 0.00 C ATOM 485 O LYS A 33 -22.046 30.947 0.284 1.00 0.00 O ATOM 486 CB LYS A 33 -22.143 28.115 2.161 1.00 0.00 C ATOM 487 CG LYS A 33 -23.454 28.771 2.637 1.00 0.00 C ATOM 488 CD LYS A 33 -24.665 28.035 2.043 1.00 0.00 C ATOM 489 CE LYS A 33 -25.938 28.469 2.773 1.00 0.00 C ATOM 490 NZ LYS A 33 -25.961 27.861 4.133 1.00 0.00 N ATOM 0 H LYS A 33 -20.260 27.164 0.884 1.00 0.00 H new ATOM 0 HA LYS A 33 -22.646 28.523 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -22.253 27.031 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -21.338 28.349 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -23.505 28.750 3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -23.474 29.819 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -24.751 28.255 0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -24.530 26.957 2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -25.975 29.556 2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -26.818 28.158 2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -26.938 27.846 4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -25.595 26.889 4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -25.366 28.423 4.775 1.00 0.00 H new ATOM 504 N GLY A 34 -20.235 30.343 1.479 1.00 0.00 N ATOM 505 CA GLY A 34 -19.730 31.710 1.615 1.00 0.00 C ATOM 506 C GLY A 34 -19.841 32.180 3.061 1.00 0.00 C ATOM 507 O GLY A 34 -19.667 33.363 3.354 1.00 0.00 O ATOM 0 H GLY A 34 -19.655 29.633 1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.690 31.753 1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -20.294 32.379 0.965 1.00 0.00 H new ATOM 511 N ARG A 35 -20.130 31.246 3.963 1.00 0.00 N ATOM 512 CA ARG A 35 -20.256 31.573 5.378 1.00 0.00 C ATOM 513 C ARG A 35 -18.879 31.756 6.011 1.00 0.00 C ATOM 514 O ARG A 35 -18.756 32.301 7.106 1.00 0.00 O ATOM 515 CB ARG A 35 -21.026 30.466 6.108 1.00 0.00 C ATOM 516 CG ARG A 35 -21.092 30.784 7.604 1.00 0.00 C ATOM 517 CD ARG A 35 -22.059 29.822 8.295 1.00 0.00 C ATOM 518 NE ARG A 35 -23.431 30.119 7.899 1.00 0.00 N ATOM 519 CZ ARG A 35 -24.043 31.215 8.333 1.00 0.00 C ATOM 520 NH1 ARG A 35 -23.412 32.046 9.119 1.00 0.00 N ATOM 521 NH2 ARG A 35 -25.272 31.463 7.972 1.00 0.00 N ATOM 0 H ARG A 35 -20.280 30.262 3.740 1.00 0.00 H new ATOM 0 HA ARG A 35 -20.807 32.509 5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -22.033 30.380 5.700 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -20.536 29.505 5.952 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -20.100 30.698 8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -21.420 31.813 7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -21.811 28.794 8.032 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -21.958 29.908 9.377 1.00 0.00 H new ATOM 0 HE ARG A 35 -23.927 29.477 7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -22.450 31.853 9.399 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -23.881 32.888 9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -25.763 30.815 7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -25.742 32.305 8.306 1.00 0.00 H new ATOM 535 N LEU A 36 -17.844 31.297 5.312 1.00 0.00 N ATOM 536 CA LEU A 36 -16.480 31.416 5.821 1.00 0.00 C ATOM 537 C LEU A 36 -16.027 32.875 5.797 1.00 0.00 C ATOM 538 O LEU A 36 -14.947 33.191 5.298 1.00 0.00 O ATOM 539 CB LEU A 36 -15.524 30.573 4.967 1.00 0.00 C ATOM 540 CG LEU A 36 -14.184 30.371 5.714 1.00 0.00 C ATOM 541 CD1 LEU A 36 -14.260 29.126 6.606 1.00 0.00 C ATOM 542 CD2 LEU A 36 -13.049 30.188 4.700 1.00 0.00 C ATOM 0 H LEU A 36 -17.921 30.844 4.401 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.464 31.054 6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -15.976 29.606 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -15.346 31.066 4.011 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.992 31.249 6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.312 28.993 7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.061 29.249 7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.462 28.249 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.107 30.046 5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.252 29.315 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.980 31.073 4.068 1.00 0.00 H new ATOM 554 N ALA A 37 -16.859 33.757 6.337 1.00 0.00 N ATOM 555 CA ALA A 37 -16.533 35.176 6.371 1.00 0.00 C ATOM 556 C ALA A 37 -15.479 35.451 7.450 1.00 0.00 C ATOM 557 O ALA A 37 -15.272 34.638 8.351 1.00 0.00 O ATOM 558 CB ALA A 37 -17.818 35.995 6.644 1.00 0.00 C ATOM 0 H ALA A 37 -17.758 33.517 6.754 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.121 35.475 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.574 37.057 6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -18.544 35.808 5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -18.242 35.697 7.603 1.00 0.00 H new ATOM 564 N PRO A 38 -14.825 36.582 7.374 1.00 0.00 N ATOM 565 CA PRO A 38 -13.781 36.981 8.365 1.00 0.00 C ATOM 566 C PRO A 38 -14.384 37.267 9.741 1.00 0.00 C ATOM 567 O PRO A 38 -15.604 37.321 9.895 1.00 0.00 O ATOM 568 CB PRO A 38 -13.151 38.243 7.748 1.00 0.00 C ATOM 569 CG PRO A 38 -14.206 38.804 6.847 1.00 0.00 C ATOM 570 CD PRO A 38 -15.010 37.607 6.332 1.00 0.00 C ATOM 0 HA PRO A 38 -13.051 36.191 8.541 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.869 38.960 8.519 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.246 38.000 7.192 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.848 39.501 7.386 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.759 39.357 6.021 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -16.062 37.859 6.202 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.642 37.265 5.365 1.00 0.00 H new ATOM 578 N GLY A 39 -13.516 37.451 10.737 1.00 0.00 N ATOM 579 CA GLY A 39 -13.962 37.738 12.103 1.00 0.00 C ATOM 580 C GLY A 39 -13.677 36.565 13.039 1.00 0.00 C ATOM 581 O GLY A 39 -12.622 36.504 13.671 1.00 0.00 O ATOM 0 H GLY A 39 -12.503 37.407 10.625 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.458 38.631 12.472 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.031 37.953 12.101 1.00 0.00 H new ATOM 585 N ALA A 40 -14.625 35.635 13.119 1.00 0.00 N ATOM 586 CA ALA A 40 -14.467 34.466 13.981 1.00 0.00 C ATOM 587 C ALA A 40 -13.654 33.381 13.280 1.00 0.00 C ATOM 588 O ALA A 40 -12.727 32.814 13.857 1.00 0.00 O ATOM 589 CB ALA A 40 -15.841 33.908 14.357 1.00 0.00 C ATOM 0 H ALA A 40 -15.504 35.667 12.602 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.936 34.775 14.882 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.716 33.037 15.000 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.411 34.671 14.887 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.376 33.618 13.453 1.00 0.00 H new ATOM 595 N ALA A 41 -14.011 33.102 12.031 1.00 0.00 N ATOM 596 CA ALA A 41 -13.310 32.082 11.256 1.00 0.00 C ATOM 597 C ALA A 41 -11.965 32.610 10.765 1.00 0.00 C ATOM 598 O ALA A 41 -11.249 31.922 10.041 1.00 0.00 O ATOM 599 CB ALA A 41 -14.161 31.651 10.061 1.00 0.00 C ATOM 0 H ALA A 41 -14.775 33.563 11.536 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.135 31.222 11.902 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.628 30.890 9.490 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.107 31.242 10.416 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.355 32.513 9.423 1.00 0.00 H new ATOM 605 N TYR A 42 -11.633 33.836 11.163 1.00 0.00 N ATOM 606 CA TYR A 42 -10.366 34.454 10.765 1.00 0.00 C ATOM 607 C TYR A 42 -9.262 34.120 11.775 1.00 0.00 C ATOM 608 O TYR A 42 -8.144 33.775 11.395 1.00 0.00 O ATOM 609 CB TYR A 42 -10.542 35.978 10.657 1.00 0.00 C ATOM 610 CG TYR A 42 -9.188 36.655 10.578 1.00 0.00 C ATOM 611 CD1 TYR A 42 -8.506 36.735 9.359 1.00 0.00 C ATOM 612 CD2 TYR A 42 -8.613 37.187 11.739 1.00 0.00 C ATOM 613 CE1 TYR A 42 -7.250 37.349 9.299 1.00 0.00 C ATOM 614 CE2 TYR A 42 -7.356 37.800 11.678 1.00 0.00 C ATOM 615 CZ TYR A 42 -6.674 37.880 10.459 1.00 0.00 C ATOM 616 OH TYR A 42 -5.436 38.485 10.399 1.00 0.00 O ATOM 0 H TYR A 42 -12.219 34.421 11.758 1.00 0.00 H new ATOM 0 HA TYR A 42 -10.073 34.057 9.793 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.131 36.222 9.773 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.093 36.350 11.520 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.949 36.323 8.464 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -9.139 37.124 12.680 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.725 37.413 8.357 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.912 38.211 12.573 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.182 38.800 11.292 1.00 0.00 H new ATOM 626 N ALA A 43 -9.583 34.244 13.059 1.00 0.00 N ATOM 627 CA ALA A 43 -8.607 33.971 14.111 1.00 0.00 C ATOM 628 C ALA A 43 -8.196 32.500 14.114 1.00 0.00 C ATOM 629 O ALA A 43 -7.092 32.153 13.695 1.00 0.00 O ATOM 630 CB ALA A 43 -9.198 34.340 15.473 1.00 0.00 C ATOM 0 H ALA A 43 -10.503 34.529 13.395 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.721 34.575 13.917 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.467 34.135 16.255 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.453 35.400 15.484 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.096 33.749 15.652 1.00 0.00 H new ATOM 636 N PHE A 44 -9.091 31.643 14.592 1.00 0.00 N ATOM 637 CA PHE A 44 -8.810 30.211 14.650 1.00 0.00 C ATOM 638 C PHE A 44 -8.664 29.632 13.243 1.00 0.00 C ATOM 639 O PHE A 44 -8.533 28.419 13.076 1.00 0.00 O ATOM 640 CB PHE A 44 -9.940 29.487 15.399 1.00 0.00 C ATOM 641 CG PHE A 44 -9.769 29.673 16.892 1.00 0.00 C ATOM 642 CD1 PHE A 44 -9.902 30.947 17.456 1.00 0.00 C ATOM 643 CD2 PHE A 44 -9.469 28.573 17.707 1.00 0.00 C ATOM 644 CE1 PHE A 44 -9.737 31.122 18.836 1.00 0.00 C ATOM 645 CE2 PHE A 44 -9.304 28.748 19.085 1.00 0.00 C ATOM 646 CZ PHE A 44 -9.437 30.022 19.650 1.00 0.00 C ATOM 0 H PHE A 44 -10.011 31.911 14.943 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.871 30.064 15.184 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.907 29.879 15.083 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.930 28.425 15.152 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.132 31.795 16.828 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.365 27.590 17.271 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.841 32.104 19.272 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.074 27.900 19.713 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.308 30.157 20.714 1.00 0.00 H new ATOM 656 N TYR A 45 -8.684 30.502 12.239 1.00 0.00 N ATOM 657 CA TYR A 45 -8.548 30.061 10.853 1.00 0.00 C ATOM 658 C TYR A 45 -7.489 28.967 10.730 1.00 0.00 C ATOM 659 O TYR A 45 -7.516 28.167 9.795 1.00 0.00 O ATOM 660 CB TYR A 45 -8.152 31.242 9.964 1.00 0.00 C ATOM 661 CG TYR A 45 -8.023 30.775 8.536 1.00 0.00 C ATOM 662 CD1 TYR A 45 -6.803 30.266 8.073 1.00 0.00 C ATOM 663 CD2 TYR A 45 -9.122 30.849 7.672 1.00 0.00 C ATOM 664 CE1 TYR A 45 -6.682 29.834 6.748 1.00 0.00 C ATOM 665 CE2 TYR A 45 -9.001 30.417 6.346 1.00 0.00 C ATOM 666 CZ TYR A 45 -7.781 29.910 5.884 1.00 0.00 C ATOM 667 OH TYR A 45 -7.662 29.483 4.577 1.00 0.00 O ATOM 0 H TYR A 45 -8.792 31.510 12.356 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.510 29.661 10.531 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.901 32.031 10.034 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.208 31.668 10.305 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.955 30.207 8.739 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.064 31.240 8.029 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.741 29.442 6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.849 30.475 5.680 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.517 29.604 4.114 1.00 0.00 H new ATOM 677 N GLY A 46 -6.556 28.941 11.681 1.00 0.00 N ATOM 678 CA GLY A 46 -5.486 27.945 11.672 1.00 0.00 C ATOM 679 C GLY A 46 -5.867 26.713 12.488 1.00 0.00 C ATOM 680 O GLY A 46 -5.007 26.059 13.077 1.00 0.00 O ATOM 0 H GLY A 46 -6.519 29.594 12.463 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.269 27.651 10.645 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.574 28.384 12.077 1.00 0.00 H new ATOM 684 N VAL A 47 -7.164 26.399 12.519 1.00 0.00 N ATOM 685 CA VAL A 47 -7.659 25.234 13.264 1.00 0.00 C ATOM 686 C VAL A 47 -8.160 24.153 12.302 1.00 0.00 C ATOM 687 O VAL A 47 -8.180 22.969 12.637 1.00 0.00 O ATOM 688 CB VAL A 47 -8.781 25.667 14.216 1.00 0.00 C ATOM 689 CG1 VAL A 47 -10.063 25.953 13.425 1.00 0.00 C ATOM 690 CG2 VAL A 47 -9.046 24.549 15.230 1.00 0.00 C ATOM 0 H VAL A 47 -7.890 26.931 12.040 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.840 24.815 13.848 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.476 26.574 14.738 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.853 26.260 14.111 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.877 26.751 12.706 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.372 25.052 12.895 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.843 24.854 15.908 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.345 23.643 14.703 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.139 24.354 15.801 1.00 0.00 H new ATOM 700 N TRP A 48 -8.555 24.578 11.103 1.00 0.00 N ATOM 701 CA TRP A 48 -9.045 23.659 10.073 1.00 0.00 C ATOM 702 C TRP A 48 -7.881 23.012 9.282 1.00 0.00 C ATOM 703 O TRP A 48 -8.028 21.893 8.790 1.00 0.00 O ATOM 704 CB TRP A 48 -10.021 24.388 9.109 1.00 0.00 C ATOM 705 CG TRP A 48 -9.261 25.228 8.125 1.00 0.00 C ATOM 706 CD1 TRP A 48 -9.094 26.567 8.215 1.00 0.00 C ATOM 707 CD2 TRP A 48 -8.526 24.800 6.941 1.00 0.00 C ATOM 708 NE1 TRP A 48 -8.302 26.989 7.161 1.00 0.00 N ATOM 709 CE2 TRP A 48 -7.927 25.937 6.349 1.00 0.00 C ATOM 710 CE3 TRP A 48 -8.323 23.550 6.331 1.00 0.00 C ATOM 711 CZ2 TRP A 48 -7.154 25.838 5.191 1.00 0.00 C ATOM 712 CZ3 TRP A 48 -7.544 23.445 5.167 1.00 0.00 C ATOM 713 CH2 TRP A 48 -6.962 24.587 4.598 1.00 0.00 C ATOM 0 H TRP A 48 -8.546 25.557 10.819 1.00 0.00 H new ATOM 0 HA TRP A 48 -9.585 22.858 10.578 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -10.630 23.657 8.577 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -10.704 25.016 9.681 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -9.510 27.202 8.983 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -8.029 27.959 7.003 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.769 22.665 6.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -6.708 26.721 4.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -7.392 22.479 4.708 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -6.366 24.500 3.702 1.00 0.00 H new ATOM 724 N PRO A 49 -6.742 23.677 9.129 1.00 0.00 N ATOM 725 CA PRO A 49 -5.587 23.140 8.353 1.00 0.00 C ATOM 726 C PRO A 49 -4.656 22.274 9.204 1.00 0.00 C ATOM 727 O PRO A 49 -3.869 21.491 8.671 1.00 0.00 O ATOM 728 CB PRO A 49 -4.866 24.414 7.867 1.00 0.00 C ATOM 729 CG PRO A 49 -5.189 25.481 8.881 1.00 0.00 C ATOM 730 CD PRO A 49 -6.395 24.989 9.699 1.00 0.00 C ATOM 0 HA PRO A 49 -5.907 22.482 7.545 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.790 24.252 7.799 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.209 24.702 6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.333 25.664 9.531 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.420 26.424 8.385 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.145 24.905 10.757 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.231 25.684 9.624 1.00 0.00 H new ATOM 738 N LEU A 50 -4.737 22.426 10.523 1.00 0.00 N ATOM 739 CA LEU A 50 -3.883 21.654 11.420 1.00 0.00 C ATOM 740 C LEU A 50 -4.398 20.225 11.556 1.00 0.00 C ATOM 741 O LEU A 50 -3.641 19.264 11.426 1.00 0.00 O ATOM 742 CB LEU A 50 -3.837 22.317 12.802 1.00 0.00 C ATOM 743 CG LEU A 50 -2.732 21.673 13.666 1.00 0.00 C ATOM 744 CD1 LEU A 50 -1.357 22.254 13.299 1.00 0.00 C ATOM 745 CD2 LEU A 50 -3.011 21.950 15.147 1.00 0.00 C ATOM 0 H LEU A 50 -5.377 23.068 10.990 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.879 21.627 10.997 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.649 23.385 12.695 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.803 22.212 13.296 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.728 20.599 13.481 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.589 21.789 13.917 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.147 22.055 12.248 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.359 23.330 13.471 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.230 21.495 15.756 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.025 23.026 15.320 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.977 21.527 15.421 1.00 0.00 H new ATOM 757 N LEU A 51 -5.693 20.097 11.819 1.00 0.00 N ATOM 758 CA LEU A 51 -6.306 18.785 11.983 1.00 0.00 C ATOM 759 C LEU A 51 -6.308 18.033 10.659 1.00 0.00 C ATOM 760 O LEU A 51 -6.742 16.882 10.589 1.00 0.00 O ATOM 761 CB LEU A 51 -7.745 18.942 12.481 1.00 0.00 C ATOM 762 CG LEU A 51 -7.766 19.797 13.753 1.00 0.00 C ATOM 763 CD1 LEU A 51 -9.217 20.037 14.179 1.00 0.00 C ATOM 764 CD2 LEU A 51 -7.011 19.077 14.884 1.00 0.00 C ATOM 0 H LEU A 51 -6.336 20.882 11.923 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.727 18.219 12.713 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.358 19.408 11.709 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.178 17.962 12.684 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.279 20.751 13.552 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.235 20.645 15.084 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.749 20.557 13.382 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.702 19.081 14.375 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.031 19.692 15.784 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.489 18.119 15.088 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.977 18.909 14.582 1.00 0.00 H new ATOM 776 N LEU A 52 -5.817 18.686 9.614 1.00 0.00 N ATOM 777 CA LEU A 52 -5.760 18.066 8.298 1.00 0.00 C ATOM 778 C LEU A 52 -4.793 16.885 8.292 1.00 0.00 C ATOM 779 O LEU A 52 -5.055 15.862 7.659 1.00 0.00 O ATOM 780 CB LEU A 52 -5.331 19.097 7.239 1.00 0.00 C ATOM 781 CG LEU A 52 -5.677 18.599 5.804 1.00 0.00 C ATOM 782 CD1 LEU A 52 -6.122 19.776 4.929 1.00 0.00 C ATOM 783 CD2 LEU A 52 -4.444 17.946 5.162 1.00 0.00 C ATOM 0 H LEU A 52 -5.455 19.639 9.652 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.757 17.698 8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.830 20.047 7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.259 19.279 7.316 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.485 17.871 5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.361 19.416 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.004 20.242 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.317 20.509 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.696 17.601 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.636 18.675 5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.124 17.098 5.768 1.00 0.00 H new ATOM 795 N LEU A 53 -3.668 17.034 8.994 1.00 0.00 N ATOM 796 CA LEU A 53 -2.659 15.972 9.060 1.00 0.00 C ATOM 797 C LEU A 53 -2.860 15.100 10.297 1.00 0.00 C ATOM 798 O LEU A 53 -2.850 13.871 10.211 1.00 0.00 O ATOM 799 CB LEU A 53 -1.261 16.598 9.096 1.00 0.00 C ATOM 800 CG LEU A 53 -1.073 17.530 7.888 1.00 0.00 C ATOM 801 CD1 LEU A 53 0.209 18.344 8.071 1.00 0.00 C ATOM 802 CD2 LEU A 53 -0.965 16.710 6.594 1.00 0.00 C ATOM 0 H LEU A 53 -3.432 17.874 9.522 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.763 15.343 8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.127 17.157 10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.502 15.815 9.084 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.933 18.196 7.819 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.345 19.006 7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.136 18.938 8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.061 17.669 8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.832 17.383 5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.110 16.037 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.876 16.127 6.455 1.00 0.00 H new ATOM 814 N LEU A 54 -3.029 15.748 11.447 1.00 0.00 N ATOM 815 CA LEU A 54 -3.213 15.020 12.704 1.00 0.00 C ATOM 816 C LEU A 54 -4.149 13.829 12.489 1.00 0.00 C ATOM 817 O LEU A 54 -3.770 12.681 12.717 1.00 0.00 O ATOM 818 CB LEU A 54 -3.804 15.946 13.777 1.00 0.00 C ATOM 819 CG LEU A 54 -3.862 15.224 15.136 1.00 0.00 C ATOM 820 CD1 LEU A 54 -2.443 15.006 15.693 1.00 0.00 C ATOM 821 CD2 LEU A 54 -4.678 16.069 16.122 1.00 0.00 C ATOM 0 H LEU A 54 -3.043 16.764 11.537 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.240 14.661 13.039 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.197 16.848 13.863 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.805 16.262 13.483 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.335 14.251 15.001 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.504 14.495 16.654 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.867 14.399 14.994 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.952 15.970 15.826 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.722 15.562 17.086 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.204 17.043 16.245 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.689 16.204 15.736 1.00 0.00 H new ATOM 833 N LEU A 55 -5.368 14.114 12.051 1.00 0.00 N ATOM 834 CA LEU A 55 -6.349 13.062 11.811 1.00 0.00 C ATOM 835 C LEU A 55 -5.856 12.107 10.720 1.00 0.00 C ATOM 836 O LEU A 55 -6.015 10.892 10.832 1.00 0.00 O ATOM 837 CB LEU A 55 -7.684 13.691 11.390 1.00 0.00 C ATOM 838 CG LEU A 55 -8.466 14.139 12.629 1.00 0.00 C ATOM 839 CD1 LEU A 55 -7.617 15.110 13.449 1.00 0.00 C ATOM 840 CD2 LEU A 55 -9.756 14.838 12.189 1.00 0.00 C ATOM 0 H LEU A 55 -5.701 15.058 11.855 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.489 12.494 12.731 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.503 14.544 10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.271 12.971 10.820 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.710 13.269 13.238 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.175 15.427 14.330 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.697 14.615 13.761 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.372 15.981 12.842 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.315 15.158 13.069 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.509 15.708 11.580 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.363 14.147 11.605 1.00 0.00 H new ATOM 852 N ALA A 56 -5.263 12.665 9.671 1.00 0.00 N ATOM 853 CA ALA A 56 -4.756 11.851 8.572 1.00 0.00 C ATOM 854 C ALA A 56 -3.651 10.923 9.063 1.00 0.00 C ATOM 855 O ALA A 56 -3.076 10.162 8.283 1.00 0.00 O ATOM 856 CB ALA A 56 -4.205 12.745 7.460 1.00 0.00 C ATOM 0 H ALA A 56 -5.122 13.669 9.558 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.581 11.254 8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.830 12.124 6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.999 13.392 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.393 13.357 7.854 1.00 0.00 H new ATOM 862 N LEU A 57 -3.355 10.987 10.362 1.00 0.00 N ATOM 863 CA LEU A 57 -2.308 10.145 10.950 1.00 0.00 C ATOM 864 C LEU A 57 -2.824 9.443 12.215 1.00 0.00 C ATOM 865 O LEU A 57 -3.649 9.996 12.942 1.00 0.00 O ATOM 866 CB LEU A 57 -1.084 11.006 11.289 1.00 0.00 C ATOM 867 CG LEU A 57 -0.508 11.623 10.003 1.00 0.00 C ATOM 868 CD1 LEU A 57 0.491 12.721 10.373 1.00 0.00 C ATOM 869 CD2 LEU A 57 0.208 10.549 9.164 1.00 0.00 C ATOM 0 H LEU A 57 -3.821 11.608 11.024 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.024 9.382 10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.365 11.794 11.987 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.326 10.398 11.783 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.326 12.042 9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.902 13.161 9.464 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.015 13.493 10.953 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.299 12.293 10.966 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.609 11.003 8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.023 10.117 9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.501 9.766 8.894 1.00 0.00 H new ATOM 881 N PRO A 58 -2.367 8.237 12.487 1.00 0.00 N ATOM 882 CA PRO A 58 -2.814 7.460 13.686 1.00 0.00 C ATOM 883 C PRO A 58 -2.334 8.090 15.008 1.00 0.00 C ATOM 884 O PRO A 58 -1.185 8.523 15.100 1.00 0.00 O ATOM 885 CB PRO A 58 -2.189 6.064 13.473 1.00 0.00 C ATOM 886 CG PRO A 58 -1.019 6.288 12.569 1.00 0.00 C ATOM 887 CD PRO A 58 -1.383 7.479 11.688 1.00 0.00 C ATOM 0 HA PRO A 58 -3.900 7.434 13.773 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.876 5.625 14.420 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.906 5.376 13.025 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.116 6.491 13.144 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.819 5.403 11.964 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.507 8.085 11.457 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.807 7.156 10.737 1.00 0.00 H new ATOM 895 N PRO A 59 -3.169 8.134 16.034 1.00 0.00 N ATOM 896 CA PRO A 59 -2.779 8.705 17.358 1.00 0.00 C ATOM 897 C PRO A 59 -1.400 8.223 17.806 1.00 0.00 C ATOM 898 O PRO A 59 -0.761 8.845 18.655 1.00 0.00 O ATOM 899 CB PRO A 59 -3.869 8.189 18.315 1.00 0.00 C ATOM 900 CG PRO A 59 -5.077 7.967 17.461 1.00 0.00 C ATOM 901 CD PRO A 59 -4.572 7.662 16.046 1.00 0.00 C ATOM 0 HA PRO A 59 -2.709 9.792 17.328 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.558 7.265 18.803 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.074 8.913 19.104 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.674 7.140 17.845 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.717 8.849 17.461 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.632 6.596 15.826 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.169 8.177 15.294 1.00 0.00 H new ATOM 909 N ARG A 60 -0.955 7.107 17.238 1.00 0.00 N ATOM 910 CA ARG A 60 0.343 6.551 17.596 1.00 0.00 C ATOM 911 C ARG A 60 1.457 7.518 17.209 1.00 0.00 C ATOM 912 O ARG A 60 2.386 7.749 17.982 1.00 0.00 O ATOM 913 CB ARG A 60 0.553 5.210 16.884 1.00 0.00 C ATOM 914 CG ARG A 60 1.866 4.576 17.352 1.00 0.00 C ATOM 915 CD ARG A 60 2.074 3.242 16.635 1.00 0.00 C ATOM 916 NE ARG A 60 3.223 2.542 17.199 1.00 0.00 N ATOM 917 CZ ARG A 60 4.467 2.909 16.907 1.00 0.00 C ATOM 918 NH1 ARG A 60 4.677 3.912 16.099 1.00 0.00 N ATOM 919 NH2 ARG A 60 5.476 2.268 17.428 1.00 0.00 N ATOM 0 H ARG A 60 -1.468 6.575 16.535 1.00 0.00 H new ATOM 0 HA ARG A 60 0.369 6.393 18.674 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.281 4.541 17.096 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.575 5.360 15.805 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.700 5.246 17.144 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.843 4.421 18.431 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.180 2.626 16.731 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.230 3.413 15.570 1.00 0.00 H new ATOM 0 HE ARG A 60 3.069 1.755 17.830 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.887 4.413 15.692 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.631 4.195 15.874 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.311 1.485 18.060 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.430 2.550 17.204 1.00 0.00 H new ATOM 933 N ALA A 61 1.358 8.084 16.005 1.00 0.00 N ATOM 934 CA ALA A 61 2.364 9.029 15.517 1.00 0.00 C ATOM 935 C ALA A 61 1.888 10.466 15.710 1.00 0.00 C ATOM 936 O ALA A 61 0.891 10.716 16.387 1.00 0.00 O ATOM 937 CB ALA A 61 2.640 8.777 14.034 1.00 0.00 C ATOM 0 H ALA A 61 0.595 7.906 15.352 1.00 0.00 H new ATOM 0 HA ALA A 61 3.281 8.882 16.088 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.389 9.484 13.678 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.008 7.760 13.900 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.719 8.907 13.465 1.00 0.00 H new