USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 590 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 24 THR OG1 : rot 24:sc= 0.0704 USER MOD Single : A 33 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.32) USER MOD Single : A 34 HIS : no HE2:sc= -0.401 K(o=-0.4,f=-2!) USER MOD Single : A 35 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.2!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0497 (180deg=-0.294) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 56 THR OG1 : rot 81:sc= 0.391 USER MOD Single : A 57 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.05) USER MOD Single : A 58 SER OG : rot -3:sc= 0.313 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 63 SER OG : rot -89:sc= 1.31 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.409 K(o=-0.41,f=-4!) USER MOD Single : A 86 THR OG1 : rot 66:sc= -0.567 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -128:sc= -2.02! (180deg=-3.32!) USER MOD Single : A 91 HIS : no HE2:sc= -0.0965 K(o=-0.097,f=-2.2) USER MOD Single : A 94 CYS SG : rot 6:sc= 0.0926 USER MOD Single : A 97 GLN : amide:sc= -0.566 K(o=-0.57,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.646 USER MOD Single : A 103 GLN : amide:sc= 0.114 X(o=0.11,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 1.198 -9.654 1.860 1.00 0.00 N ATOM 55 CA THR A 24 0.903 -11.033 2.261 1.00 0.00 C ATOM 56 C THR A 24 1.006 -11.919 1.015 1.00 0.00 C ATOM 57 O THR A 24 0.188 -11.816 0.096 1.00 0.00 O ATOM 58 CB THR A 24 -0.517 -11.142 2.913 1.00 0.00 C ATOM 59 OG1 THR A 24 -0.602 -10.245 4.028 1.00 0.00 O ATOM 60 CG2 THR A 24 -0.843 -12.569 3.391 1.00 0.00 C ATOM 0 HA THR A 24 1.620 -11.362 3.014 1.00 0.00 H new ATOM 0 HB THR A 24 -1.244 -10.877 2.145 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.047 -9.520 3.915 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.839 -12.586 3.834 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.812 -13.253 2.543 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.110 -12.880 4.135 1.00 0.00 H new ATOM 68 N LEU A 25 2.050 -12.749 0.975 1.00 0.00 N ATOM 69 CA LEU A 25 2.280 -13.709 -0.107 1.00 0.00 C ATOM 70 C LEU A 25 1.793 -15.085 0.350 1.00 0.00 C ATOM 71 O LEU A 25 2.456 -15.752 1.152 1.00 0.00 O ATOM 72 CB LEU A 25 3.787 -13.719 -0.480 1.00 0.00 C ATOM 73 CG LEU A 25 4.314 -12.390 -1.120 1.00 0.00 C ATOM 74 CD1 LEU A 25 5.860 -12.349 -1.200 1.00 0.00 C ATOM 75 CD2 LEU A 25 3.671 -12.150 -2.515 1.00 0.00 C ATOM 0 H LEU A 25 2.767 -12.774 1.700 1.00 0.00 H new ATOM 0 HA LEU A 25 1.724 -13.428 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.368 -13.928 0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.969 -14.538 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 25 4.011 -11.576 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.176 -11.408 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.279 -12.429 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.215 -13.180 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.054 -11.221 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.919 -12.979 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.588 -12.081 -2.410 1.00 0.00 H new ATOM 87 N VAL A 26 0.618 -15.486 -0.150 1.00 0.00 N ATOM 88 CA VAL A 26 -0.038 -16.735 0.243 1.00 0.00 C ATOM 89 C VAL A 26 0.364 -17.842 -0.733 1.00 0.00 C ATOM 90 O VAL A 26 0.083 -17.753 -1.928 1.00 0.00 O ATOM 91 CB VAL A 26 -1.605 -16.587 0.247 1.00 0.00 C ATOM 92 CG1 VAL A 26 -2.313 -17.901 0.671 1.00 0.00 C ATOM 93 CG2 VAL A 26 -2.070 -15.386 1.113 1.00 0.00 C ATOM 0 H VAL A 26 0.095 -14.949 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 26 0.281 -16.985 1.255 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.902 -16.380 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.393 -17.753 0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.049 -18.697 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.995 -18.177 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.158 -15.319 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.738 -15.529 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.641 -14.465 0.718 1.00 0.00 H new ATOM 103 N ARG A 27 1.037 -18.864 -0.210 1.00 0.00 N ATOM 104 CA ARG A 27 1.397 -20.067 -0.972 1.00 0.00 C ATOM 105 C ARG A 27 0.289 -21.120 -0.840 1.00 0.00 C ATOM 106 O ARG A 27 -0.569 -21.004 0.039 1.00 0.00 O ATOM 107 CB ARG A 27 2.764 -20.600 -0.481 1.00 0.00 C ATOM 108 CG ARG A 27 3.946 -19.663 -0.810 1.00 0.00 C ATOM 109 CD ARG A 27 5.264 -20.104 -0.152 1.00 0.00 C ATOM 110 NE ARG A 27 5.600 -21.514 -0.443 1.00 0.00 N ATOM 111 CZ ARG A 27 6.640 -22.178 0.085 1.00 0.00 C ATOM 112 NH1 ARG A 27 7.523 -21.562 0.867 1.00 0.00 N ATOM 113 NH2 ARG A 27 6.810 -23.461 -0.194 1.00 0.00 N ATOM 0 H ARG A 27 1.352 -18.885 0.760 1.00 0.00 H new ATOM 0 HA ARG A 27 1.493 -19.824 -2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.720 -20.751 0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.948 -21.575 -0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.081 -19.624 -1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.703 -18.652 -0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.073 -19.462 -0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.191 -19.967 0.927 1.00 0.00 H new ATOM 0 HE ARG A 27 4.997 -22.019 -1.093 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.416 -20.569 1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.307 -22.083 1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.152 -23.941 -0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.599 -23.970 0.205 1.00 0.00 H new ATOM 127 N ILE A 28 0.314 -22.139 -1.724 1.00 0.00 N ATOM 128 CA ILE A 28 -0.697 -23.229 -1.737 1.00 0.00 C ATOM 129 C ILE A 28 -0.737 -23.986 -0.386 1.00 0.00 C ATOM 130 O ILE A 28 -1.808 -24.391 0.060 1.00 0.00 O ATOM 131 CB ILE A 28 -0.470 -24.237 -2.933 1.00 0.00 C ATOM 132 CG1 ILE A 28 -1.570 -25.363 -2.965 1.00 0.00 C ATOM 133 CG2 ILE A 28 0.955 -24.830 -2.911 1.00 0.00 C ATOM 134 CD1 ILE A 28 -1.438 -26.363 -4.111 1.00 0.00 C ATOM 0 H ILE A 28 1.028 -22.234 -2.446 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.665 -22.752 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.570 -23.668 -3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.538 -25.908 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.550 -24.890 -3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.076 -25.519 -3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.685 -24.025 -2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.112 -25.366 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.240 -27.098 -4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.504 -25.836 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.475 -26.870 -4.043 1.00 0.00 H new ATOM 146 N ALA A 29 0.435 -24.109 0.271 1.00 0.00 N ATOM 147 CA ALA A 29 0.559 -24.729 1.612 1.00 0.00 C ATOM 148 C ALA A 29 -0.286 -23.956 2.645 1.00 0.00 C ATOM 149 O ALA A 29 -1.112 -24.537 3.353 1.00 0.00 O ATOM 150 CB ALA A 29 2.034 -24.773 2.058 1.00 0.00 C ATOM 0 H ALA A 29 1.323 -23.782 -0.111 1.00 0.00 H new ATOM 0 HA ALA A 29 0.186 -25.751 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.102 -25.232 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.613 -25.359 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.431 -23.759 2.101 1.00 0.00 H new ATOM 156 N ASP A 30 -0.097 -22.621 2.662 1.00 0.00 N ATOM 157 CA ASP A 30 -0.814 -21.700 3.576 1.00 0.00 C ATOM 158 C ASP A 30 -2.316 -21.650 3.233 1.00 0.00 C ATOM 159 O ASP A 30 -3.159 -21.517 4.123 1.00 0.00 O ATOM 160 CB ASP A 30 -0.203 -20.278 3.489 1.00 0.00 C ATOM 161 CG ASP A 30 -0.785 -19.293 4.525 1.00 0.00 C ATOM 162 OD1 ASP A 30 -0.356 -19.321 5.700 1.00 0.00 O ATOM 163 OD2 ASP A 30 -1.649 -18.469 4.169 1.00 0.00 O ATOM 0 H ASP A 30 0.559 -22.147 2.041 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.704 -22.074 4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.876 -20.346 3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.370 -19.880 2.488 1.00 0.00 H new ATOM 168 N LEU A 31 -2.617 -21.785 1.932 1.00 0.00 N ATOM 169 CA LEU A 31 -3.993 -21.807 1.402 1.00 0.00 C ATOM 170 C LEU A 31 -4.780 -22.999 1.993 1.00 0.00 C ATOM 171 O LEU A 31 -5.917 -22.837 2.440 1.00 0.00 O ATOM 172 CB LEU A 31 -3.952 -21.897 -0.149 1.00 0.00 C ATOM 173 CG LEU A 31 -5.328 -21.883 -0.894 1.00 0.00 C ATOM 174 CD1 LEU A 31 -6.021 -20.508 -0.784 1.00 0.00 C ATOM 175 CD2 LEU A 31 -5.170 -22.325 -2.369 1.00 0.00 C ATOM 0 H LEU A 31 -1.905 -21.883 1.209 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.502 -20.887 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.356 -21.064 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.427 -22.812 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.976 -22.608 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.973 -20.537 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.196 -20.272 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.383 -19.743 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.143 -22.305 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.490 -21.645 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.766 -23.337 -2.404 1.00 0.00 H new ATOM 187 N GLU A 32 -4.131 -24.183 2.009 1.00 0.00 N ATOM 188 CA GLU A 32 -4.697 -25.431 2.571 1.00 0.00 C ATOM 189 C GLU A 32 -4.957 -25.287 4.076 1.00 0.00 C ATOM 190 O GLU A 32 -6.081 -25.478 4.547 1.00 0.00 O ATOM 191 CB GLU A 32 -3.718 -26.619 2.333 1.00 0.00 C ATOM 192 CG GLU A 32 -3.442 -26.950 0.859 1.00 0.00 C ATOM 193 CD GLU A 32 -4.682 -27.452 0.105 1.00 0.00 C ATOM 194 OE1 GLU A 32 -4.948 -28.672 0.134 1.00 0.00 O ATOM 195 OE2 GLU A 32 -5.413 -26.627 -0.490 1.00 0.00 O ATOM 0 H GLU A 32 -3.192 -24.302 1.629 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.643 -25.626 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.771 -26.392 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.123 -27.507 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.058 -26.060 0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.661 -27.708 0.805 1.00 0.00 H new ATOM 202 N ASN A 33 -3.895 -24.896 4.793 1.00 0.00 N ATOM 203 CA ASN A 33 -3.880 -24.803 6.264 1.00 0.00 C ATOM 204 C ASN A 33 -4.952 -23.828 6.780 1.00 0.00 C ATOM 205 O ASN A 33 -5.753 -24.174 7.653 1.00 0.00 O ATOM 206 CB ASN A 33 -2.475 -24.353 6.737 1.00 0.00 C ATOM 207 CG ASN A 33 -1.367 -25.353 6.394 1.00 0.00 C ATOM 208 OD1 ASN A 33 -1.580 -26.568 6.393 1.00 0.00 O ATOM 209 ND2 ASN A 33 -0.186 -24.848 6.074 1.00 0.00 N ATOM 0 H ASN A 33 -3.008 -24.631 4.364 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.108 -25.787 6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.238 -23.391 6.283 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.495 -24.200 7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.581 -25.469 5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.043 -23.838 6.085 1.00 0.00 H new ATOM 216 N HIS A 34 -4.984 -22.625 6.184 1.00 0.00 N ATOM 217 CA HIS A 34 -5.886 -21.538 6.608 1.00 0.00 C ATOM 218 C HIS A 34 -7.353 -21.873 6.272 1.00 0.00 C ATOM 219 O HIS A 34 -8.272 -21.477 7.001 1.00 0.00 O ATOM 220 CB HIS A 34 -5.470 -20.194 5.953 1.00 0.00 C ATOM 221 CG HIS A 34 -6.075 -19.003 6.636 1.00 0.00 C ATOM 222 ND1 HIS A 34 -7.361 -18.572 6.402 1.00 0.00 N ATOM 223 CD2 HIS A 34 -5.578 -18.188 7.592 1.00 0.00 C ATOM 224 CE1 HIS A 34 -7.629 -17.550 7.189 1.00 0.00 C ATOM 225 NE2 HIS A 34 -6.565 -17.298 7.917 1.00 0.00 N ATOM 0 H HIS A 34 -4.387 -22.377 5.395 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.802 -21.435 7.690 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.384 -20.106 5.973 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.770 -20.197 4.905 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.006 -18.980 5.725 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.587 -18.231 8.020 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.564 -17.011 7.229 1.00 0.00 H new ATOM 234 N ASN A 35 -7.542 -22.608 5.165 1.00 0.00 N ATOM 235 CA ASN A 35 -8.867 -23.076 4.719 1.00 0.00 C ATOM 236 C ASN A 35 -9.464 -24.056 5.753 1.00 0.00 C ATOM 237 O ASN A 35 -10.620 -23.914 6.168 1.00 0.00 O ATOM 238 CB ASN A 35 -8.743 -23.751 3.328 1.00 0.00 C ATOM 239 CG ASN A 35 -10.068 -24.236 2.739 1.00 0.00 C ATOM 240 OD1 ASN A 35 -11.122 -23.662 3.000 1.00 0.00 O ATOM 241 ND2 ASN A 35 -10.020 -25.290 1.938 1.00 0.00 N ATOM 0 H ASN A 35 -6.780 -22.896 4.552 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.539 -22.222 4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.289 -23.044 2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.064 -24.599 3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.876 -25.649 1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.127 -25.742 1.743 1.00 0.00 H new ATOM 248 N ASN A 36 -8.636 -25.029 6.183 1.00 0.00 N ATOM 249 CA ASN A 36 -9.027 -26.066 7.159 1.00 0.00 C ATOM 250 C ASN A 36 -9.158 -25.476 8.578 1.00 0.00 C ATOM 251 O ASN A 36 -9.869 -26.029 9.429 1.00 0.00 O ATOM 252 CB ASN A 36 -7.987 -27.215 7.151 1.00 0.00 C ATOM 253 CG ASN A 36 -7.753 -27.819 5.764 1.00 0.00 C ATOM 254 OD1 ASN A 36 -8.632 -27.810 4.902 1.00 0.00 O ATOM 255 ND2 ASN A 36 -6.562 -28.346 5.543 1.00 0.00 N ATOM 0 H ASN A 36 -7.672 -25.118 5.861 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.001 -26.459 6.868 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.040 -26.840 7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.321 -28.001 7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.349 -28.762 4.636 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.856 -28.337 6.279 1.00 0.00 H new ATOM 262 N ASP A 37 -8.453 -24.353 8.816 1.00 0.00 N ATOM 263 CA ASP A 37 -8.535 -23.572 10.071 1.00 0.00 C ATOM 264 C ASP A 37 -9.925 -22.905 10.210 1.00 0.00 C ATOM 265 O ASP A 37 -10.371 -22.604 11.320 1.00 0.00 O ATOM 266 CB ASP A 37 -7.403 -22.510 10.083 1.00 0.00 C ATOM 267 CG ASP A 37 -7.373 -21.623 11.344 1.00 0.00 C ATOM 268 OD1 ASP A 37 -6.801 -22.053 12.368 1.00 0.00 O ATOM 269 OD2 ASP A 37 -7.903 -20.486 11.313 1.00 0.00 O ATOM 0 H ASP A 37 -7.803 -23.956 8.137 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.406 -24.239 10.923 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.444 -23.019 9.989 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.512 -21.871 9.207 1.00 0.00 H new ATOM 274 N GLY A 38 -10.598 -22.681 9.068 1.00 0.00 N ATOM 275 CA GLY A 38 -11.956 -22.120 9.047 1.00 0.00 C ATOM 276 C GLY A 38 -12.073 -20.950 8.090 1.00 0.00 C ATOM 277 O GLY A 38 -13.150 -20.679 7.551 1.00 0.00 O ATOM 0 H GLY A 38 -10.219 -22.882 8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.664 -22.896 8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.230 -21.796 10.051 1.00 0.00 H new ATOM 281 N GLY A 39 -10.945 -20.256 7.882 1.00 0.00 N ATOM 282 CA GLY A 39 -10.881 -19.130 6.962 1.00 0.00 C ATOM 283 C GLY A 39 -10.796 -19.599 5.517 1.00 0.00 C ATOM 284 O GLY A 39 -9.695 -19.819 4.997 1.00 0.00 O ATOM 0 H GLY A 39 -10.061 -20.464 8.347 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.762 -18.502 7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.013 -18.514 7.198 1.00 0.00 H new ATOM 288 N PHE A 40 -11.966 -19.741 4.870 1.00 0.00 N ATOM 289 CA PHE A 40 -12.066 -20.282 3.511 1.00 0.00 C ATOM 290 C PHE A 40 -11.591 -19.211 2.518 1.00 0.00 C ATOM 291 O PHE A 40 -12.242 -18.174 2.353 1.00 0.00 O ATOM 292 CB PHE A 40 -13.534 -20.701 3.195 1.00 0.00 C ATOM 293 CG PHE A 40 -13.703 -21.547 1.922 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.638 -20.971 0.649 1.00 0.00 C ATOM 295 CD2 PHE A 40 -13.911 -22.924 2.003 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.778 -21.741 -0.491 1.00 0.00 C ATOM 297 CE2 PHE A 40 -14.049 -23.692 0.861 1.00 0.00 C ATOM 298 CZ PHE A 40 -13.980 -23.100 -0.384 1.00 0.00 C ATOM 0 H PHE A 40 -12.865 -19.483 5.277 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.439 -21.169 3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -13.927 -21.263 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.141 -19.801 3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.476 -19.907 0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -13.965 -23.398 2.972 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.729 -21.277 -1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.211 -24.757 0.944 1.00 0.00 H new ATOM 0 HZ PHE A 40 -14.084 -23.702 -1.275 1.00 0.00 H new ATOM 308 N TRP A 41 -10.427 -19.469 1.918 1.00 0.00 N ATOM 309 CA TRP A 41 -9.838 -18.629 0.869 1.00 0.00 C ATOM 310 C TRP A 41 -10.000 -19.304 -0.506 1.00 0.00 C ATOM 311 O TRP A 41 -10.429 -20.457 -0.595 1.00 0.00 O ATOM 312 CB TRP A 41 -8.338 -18.368 1.178 1.00 0.00 C ATOM 313 CG TRP A 41 -8.056 -17.453 2.351 1.00 0.00 C ATOM 314 CD1 TRP A 41 -8.948 -16.689 3.054 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.774 -17.192 2.923 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.293 -15.969 4.016 1.00 0.00 N ATOM 317 CE2 TRP A 41 -6.959 -16.259 3.955 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.486 -17.651 2.658 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.903 -15.774 4.722 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.441 -17.176 3.423 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.652 -16.242 4.441 1.00 0.00 C ATOM 0 H TRP A 41 -9.856 -20.282 2.151 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.359 -17.672 0.845 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.853 -19.326 1.364 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.872 -17.942 0.289 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.013 -16.659 2.876 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.730 -15.321 4.672 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.309 -18.366 1.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.068 -15.054 5.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.440 -17.533 3.231 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.810 -15.884 5.015 1.00 0.00 H new ATOM 332 N THR A 42 -9.634 -18.569 -1.562 1.00 0.00 N ATOM 333 CA THR A 42 -9.703 -19.031 -2.956 1.00 0.00 C ATOM 334 C THR A 42 -8.743 -18.180 -3.814 1.00 0.00 C ATOM 335 O THR A 42 -8.676 -16.955 -3.653 1.00 0.00 O ATOM 336 CB THR A 42 -11.173 -18.971 -3.529 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.209 -19.496 -4.868 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.767 -17.545 -3.518 1.00 0.00 C ATOM 0 H THR A 42 -9.275 -17.619 -1.472 1.00 0.00 H new ATOM 0 HA THR A 42 -9.400 -20.077 -2.990 1.00 0.00 H new ATOM 0 HB THR A 42 -11.787 -19.584 -2.869 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.126 -19.455 -5.211 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.778 -17.569 -3.924 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.795 -17.170 -2.495 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.147 -16.888 -4.128 1.00 0.00 H new ATOM 346 N VAL A 43 -7.972 -18.839 -4.694 1.00 0.00 N ATOM 347 CA VAL A 43 -7.027 -18.161 -5.597 1.00 0.00 C ATOM 348 C VAL A 43 -7.709 -17.868 -6.944 1.00 0.00 C ATOM 349 O VAL A 43 -8.059 -18.791 -7.690 1.00 0.00 O ATOM 350 CB VAL A 43 -5.725 -19.010 -5.817 1.00 0.00 C ATOM 351 CG1 VAL A 43 -4.737 -18.286 -6.767 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.057 -19.337 -4.459 1.00 0.00 C ATOM 0 H VAL A 43 -7.986 -19.853 -4.800 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.731 -17.222 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.007 -19.949 -6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.845 -18.898 -6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.214 -18.125 -7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.456 -17.325 -6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.156 -19.926 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.794 -18.410 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.751 -19.906 -3.840 1.00 0.00 H new ATOM 362 N ILE A 44 -7.934 -16.569 -7.218 1.00 0.00 N ATOM 363 CA ILE A 44 -8.515 -16.084 -8.478 1.00 0.00 C ATOM 364 C ILE A 44 -7.549 -15.061 -9.124 1.00 0.00 C ATOM 365 O ILE A 44 -7.305 -13.990 -8.553 1.00 0.00 O ATOM 366 CB ILE A 44 -9.931 -15.416 -8.239 1.00 0.00 C ATOM 367 CG1 ILE A 44 -10.889 -16.385 -7.453 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.570 -14.977 -9.583 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.237 -15.791 -7.060 1.00 0.00 C ATOM 0 H ILE A 44 -7.714 -15.821 -6.561 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.656 -16.934 -9.145 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.781 -14.525 -7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.065 -17.270 -8.064 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.380 -16.718 -6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.542 -14.521 -9.392 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.920 -14.254 -10.076 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.698 -15.847 -10.227 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.821 -16.538 -6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.079 -14.924 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.775 -15.485 -7.957 1.00 0.00 H new ATOM 381 N ASP A 45 -6.974 -15.442 -10.289 1.00 0.00 N ATOM 382 CA ASP A 45 -6.141 -14.561 -11.157 1.00 0.00 C ATOM 383 C ASP A 45 -4.846 -14.093 -10.435 1.00 0.00 C ATOM 384 O ASP A 45 -4.467 -12.914 -10.467 1.00 0.00 O ATOM 385 CB ASP A 45 -7.006 -13.371 -11.692 1.00 0.00 C ATOM 386 CG ASP A 45 -6.300 -12.498 -12.744 1.00 0.00 C ATOM 387 OD1 ASP A 45 -5.924 -13.033 -13.807 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.101 -11.285 -12.504 1.00 0.00 O ATOM 0 H ASP A 45 -7.075 -16.386 -10.663 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.801 -15.136 -12.018 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.924 -13.770 -12.124 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.297 -12.742 -10.851 1.00 0.00 H new ATOM 393 N GLY A 46 -4.173 -15.055 -9.769 1.00 0.00 N ATOM 394 CA GLY A 46 -2.898 -14.801 -9.070 1.00 0.00 C ATOM 395 C GLY A 46 -3.062 -14.022 -7.763 1.00 0.00 C ATOM 396 O GLY A 46 -2.078 -13.601 -7.152 1.00 0.00 O ATOM 0 H GLY A 46 -4.495 -16.020 -9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.414 -15.754 -8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.234 -14.247 -9.733 1.00 0.00 H new ATOM 400 N LYS A 47 -4.321 -13.822 -7.348 1.00 0.00 N ATOM 401 CA LYS A 47 -4.680 -13.156 -6.090 1.00 0.00 C ATOM 402 C LYS A 47 -5.447 -14.139 -5.218 1.00 0.00 C ATOM 403 O LYS A 47 -6.050 -15.079 -5.732 1.00 0.00 O ATOM 404 CB LYS A 47 -5.557 -11.911 -6.372 1.00 0.00 C ATOM 405 CG LYS A 47 -4.883 -10.834 -7.239 1.00 0.00 C ATOM 406 CD LYS A 47 -3.664 -10.176 -6.546 1.00 0.00 C ATOM 407 CE LYS A 47 -3.014 -9.094 -7.421 1.00 0.00 C ATOM 408 NZ LYS A 47 -4.006 -8.071 -7.853 1.00 0.00 N ATOM 0 H LYS A 47 -5.132 -14.124 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.774 -12.831 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.474 -12.233 -6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.846 -11.464 -5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.562 -11.281 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.614 -10.064 -7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.980 -9.735 -5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.925 -10.942 -6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.210 -8.611 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.562 -9.557 -8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.506 -7.242 -8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.621 -8.473 -8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.585 -7.783 -7.038 1.00 0.00 H new ATOM 422 N VAL A 48 -5.432 -13.917 -3.904 1.00 0.00 N ATOM 423 CA VAL A 48 -6.167 -14.749 -2.946 1.00 0.00 C ATOM 424 C VAL A 48 -7.243 -13.890 -2.277 1.00 0.00 C ATOM 425 O VAL A 48 -6.930 -12.897 -1.612 1.00 0.00 O ATOM 426 CB VAL A 48 -5.226 -15.392 -1.863 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.987 -16.404 -0.965 1.00 0.00 C ATOM 428 CG2 VAL A 48 -4.011 -16.058 -2.534 1.00 0.00 C ATOM 0 H VAL A 48 -4.910 -13.155 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.623 -15.576 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.871 -14.591 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.301 -16.826 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.801 -15.893 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.394 -17.205 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.370 -16.498 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.353 -16.838 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.449 -15.310 -3.093 1.00 0.00 H new ATOM 438 N TYR A 49 -8.502 -14.259 -2.517 1.00 0.00 N ATOM 439 CA TYR A 49 -9.676 -13.642 -1.888 1.00 0.00 C ATOM 440 C TYR A 49 -10.313 -14.652 -0.934 1.00 0.00 C ATOM 441 O TYR A 49 -10.124 -15.858 -1.088 1.00 0.00 O ATOM 442 CB TYR A 49 -10.704 -13.218 -2.964 1.00 0.00 C ATOM 443 CG TYR A 49 -10.167 -12.196 -3.980 1.00 0.00 C ATOM 444 CD1 TYR A 49 -10.255 -10.823 -3.739 1.00 0.00 C ATOM 445 CD2 TYR A 49 -9.556 -12.610 -5.170 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.760 -9.907 -4.641 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.058 -11.689 -6.069 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.160 -10.343 -5.799 1.00 0.00 C ATOM 449 OH TYR A 49 -8.655 -9.423 -6.693 1.00 0.00 O ATOM 0 H TYR A 49 -8.741 -15.009 -3.166 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.366 -12.753 -1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.039 -14.106 -3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.579 -12.796 -2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.720 -10.473 -2.829 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.473 -13.665 -5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.843 -8.849 -4.439 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.589 -12.024 -6.983 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.263 -9.892 -7.459 1.00 0.00 H new ATOM 459 N ASP A 50 -11.059 -14.163 0.055 1.00 0.00 N ATOM 460 CA ASP A 50 -11.840 -15.026 0.955 1.00 0.00 C ATOM 461 C ASP A 50 -13.277 -15.182 0.428 1.00 0.00 C ATOM 462 O ASP A 50 -13.805 -14.304 -0.262 1.00 0.00 O ATOM 463 CB ASP A 50 -11.845 -14.454 2.397 1.00 0.00 C ATOM 464 CG ASP A 50 -12.437 -13.039 2.475 1.00 0.00 C ATOM 465 OD1 ASP A 50 -13.674 -12.902 2.552 1.00 0.00 O ATOM 466 OD2 ASP A 50 -11.661 -12.064 2.451 1.00 0.00 O ATOM 0 H ASP A 50 -11.143 -13.167 0.258 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.372 -16.010 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.417 -15.118 3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.825 -14.437 2.780 1.00 0.00 H new ATOM 471 N ILE A 51 -13.866 -16.337 0.729 1.00 0.00 N ATOM 472 CA ILE A 51 -15.307 -16.599 0.573 1.00 0.00 C ATOM 473 C ILE A 51 -15.977 -16.554 1.963 1.00 0.00 C ATOM 474 O ILE A 51 -17.174 -16.272 2.078 1.00 0.00 O ATOM 475 CB ILE A 51 -15.546 -17.993 -0.134 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.926 -17.982 -1.569 1.00 0.00 C ATOM 477 CG2 ILE A 51 -17.046 -18.399 -0.176 1.00 0.00 C ATOM 478 CD1 ILE A 51 -15.483 -16.901 -2.482 1.00 0.00 C ATOM 0 H ILE A 51 -13.351 -17.137 1.096 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.753 -15.833 -0.062 1.00 0.00 H new ATOM 0 HB ILE A 51 -15.043 -18.750 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.847 -17.850 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -15.093 -18.954 -2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -17.148 -19.364 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.432 -18.472 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.611 -17.646 -0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.000 -16.964 -3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.557 -17.042 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.292 -15.921 -2.044 1.00 0.00 H new ATOM 490 N LYS A 52 -15.162 -16.780 3.013 1.00 0.00 N ATOM 491 CA LYS A 52 -15.620 -16.879 4.410 1.00 0.00 C ATOM 492 C LYS A 52 -16.273 -15.560 4.873 1.00 0.00 C ATOM 493 O LYS A 52 -17.443 -15.536 5.272 1.00 0.00 O ATOM 494 CB LYS A 52 -14.393 -17.273 5.300 1.00 0.00 C ATOM 495 CG LYS A 52 -14.691 -17.695 6.766 1.00 0.00 C ATOM 496 CD LYS A 52 -14.899 -16.523 7.755 1.00 0.00 C ATOM 497 CE LYS A 52 -13.663 -15.609 7.868 1.00 0.00 C ATOM 498 NZ LYS A 52 -13.853 -14.531 8.870 1.00 0.00 N ATOM 0 H LYS A 52 -14.154 -16.900 2.911 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.388 -17.647 4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.870 -18.094 4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.706 -16.427 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.584 -18.320 6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.867 -18.312 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.755 -15.930 7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.140 -16.923 8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.794 -16.208 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.451 -15.165 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.997 -13.941 8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.666 -13.943 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.029 -14.953 9.804 1.00 0.00 H new ATOM 512 N ASP A 53 -15.494 -14.471 4.824 1.00 0.00 N ATOM 513 CA ASP A 53 -15.962 -13.139 5.237 1.00 0.00 C ATOM 514 C ASP A 53 -16.877 -12.530 4.148 1.00 0.00 C ATOM 515 O ASP A 53 -17.805 -11.789 4.461 1.00 0.00 O ATOM 516 CB ASP A 53 -14.755 -12.218 5.555 1.00 0.00 C ATOM 517 CG ASP A 53 -15.168 -10.885 6.202 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.376 -10.861 7.437 1.00 0.00 O ATOM 519 OD2 ASP A 53 -15.276 -9.860 5.494 1.00 0.00 O ATOM 0 H ASP A 53 -14.527 -14.487 4.499 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.552 -13.235 6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.071 -12.743 6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.208 -12.014 4.634 1.00 0.00 H new ATOM 524 N PHE A 54 -16.608 -12.890 2.875 1.00 0.00 N ATOM 525 CA PHE A 54 -17.391 -12.455 1.690 1.00 0.00 C ATOM 526 C PHE A 54 -18.901 -12.723 1.857 1.00 0.00 C ATOM 527 O PHE A 54 -19.729 -11.808 1.733 1.00 0.00 O ATOM 528 CB PHE A 54 -16.836 -13.184 0.434 1.00 0.00 C ATOM 529 CG PHE A 54 -17.472 -12.788 -0.901 1.00 0.00 C ATOM 530 CD1 PHE A 54 -18.649 -13.395 -1.351 1.00 0.00 C ATOM 531 CD2 PHE A 54 -16.890 -11.817 -1.708 1.00 0.00 C ATOM 532 CE1 PHE A 54 -19.217 -13.038 -2.557 1.00 0.00 C ATOM 533 CE2 PHE A 54 -17.461 -11.467 -2.915 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.623 -12.076 -3.339 1.00 0.00 C ATOM 0 H PHE A 54 -15.828 -13.501 2.634 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.282 -11.376 1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.764 -12.998 0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.966 -14.257 0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -19.121 -14.155 -0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.981 -11.331 -1.387 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -20.128 -13.515 -2.887 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.995 -10.712 -3.531 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.066 -11.798 -4.284 1.00 0.00 H new ATOM 544 N GLN A 55 -19.238 -13.987 2.148 1.00 0.00 N ATOM 545 CA GLN A 55 -20.639 -14.433 2.309 1.00 0.00 C ATOM 546 C GLN A 55 -21.283 -13.801 3.564 1.00 0.00 C ATOM 547 O GLN A 55 -22.510 -13.639 3.637 1.00 0.00 O ATOM 548 CB GLN A 55 -20.710 -15.979 2.348 1.00 0.00 C ATOM 549 CG GLN A 55 -20.055 -16.624 3.585 1.00 0.00 C ATOM 550 CD GLN A 55 -19.979 -18.148 3.495 1.00 0.00 C ATOM 551 OE1 GLN A 55 -20.900 -18.859 3.907 1.00 0.00 O ATOM 552 NE2 GLN A 55 -18.881 -18.656 2.954 1.00 0.00 N ATOM 0 H GLN A 55 -18.553 -14.731 2.279 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.213 -14.092 1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.756 -16.282 2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -20.230 -16.374 1.453 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -19.049 -16.222 3.708 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.620 -16.346 4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -18.141 -18.036 2.625 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -18.776 -19.667 2.867 1.00 0.00 H new ATOM 561 N THR A 56 -20.435 -13.467 4.551 1.00 0.00 N ATOM 562 CA THR A 56 -20.853 -12.718 5.745 1.00 0.00 C ATOM 563 C THR A 56 -21.245 -11.261 5.365 1.00 0.00 C ATOM 564 O THR A 56 -22.178 -10.699 5.934 1.00 0.00 O ATOM 565 CB THR A 56 -19.711 -12.725 6.817 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.336 -14.081 7.111 1.00 0.00 O ATOM 567 CG2 THR A 56 -20.106 -12.018 8.122 1.00 0.00 C ATOM 0 H THR A 56 -19.444 -13.708 4.543 1.00 0.00 H new ATOM 0 HA THR A 56 -21.730 -13.204 6.173 1.00 0.00 H new ATOM 0 HB THR A 56 -18.874 -12.173 6.390 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.722 -14.407 6.421 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.273 -12.057 8.824 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.355 -10.978 7.911 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.971 -12.517 8.558 1.00 0.00 H new ATOM 575 N GLN A 57 -20.525 -10.662 4.384 1.00 0.00 N ATOM 576 CA GLN A 57 -20.781 -9.278 3.929 1.00 0.00 C ATOM 577 C GLN A 57 -22.017 -9.192 3.002 1.00 0.00 C ATOM 578 O GLN A 57 -22.647 -8.137 2.909 1.00 0.00 O ATOM 579 CB GLN A 57 -19.536 -8.691 3.212 1.00 0.00 C ATOM 580 CG GLN A 57 -18.217 -8.708 4.017 1.00 0.00 C ATOM 581 CD GLN A 57 -18.352 -8.234 5.464 1.00 0.00 C ATOM 582 OE1 GLN A 57 -18.257 -7.042 5.756 1.00 0.00 O ATOM 583 NE2 GLN A 57 -18.533 -9.174 6.386 1.00 0.00 N ATOM 0 H GLN A 57 -19.759 -11.122 3.892 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.990 -8.685 4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.380 -9.245 2.286 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.755 -7.660 2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.818 -9.722 4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.487 -8.078 3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.608 -10.153 6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.597 -8.917 7.371 1.00 0.00 H new ATOM 592 N SER A 58 -22.361 -10.303 2.317 1.00 0.00 N ATOM 593 CA SER A 58 -23.561 -10.362 1.447 1.00 0.00 C ATOM 594 C SER A 58 -24.870 -10.453 2.271 1.00 0.00 C ATOM 595 O SER A 58 -25.968 -10.383 1.707 1.00 0.00 O ATOM 596 CB SER A 58 -23.440 -11.521 0.431 1.00 0.00 C ATOM 597 OG SER A 58 -23.215 -12.757 1.066 1.00 0.00 O ATOM 0 H SER A 58 -21.827 -11.172 2.348 1.00 0.00 H new ATOM 0 HA SER A 58 -23.613 -9.428 0.887 1.00 0.00 H new ATOM 0 HB2 SER A 58 -24.352 -11.579 -0.163 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.623 -11.314 -0.260 1.00 0.00 H new ATOM 0 HG SER A 58 -23.138 -12.619 2.033 1.00 0.00 H new ATOM 603 N LEU A 59 -24.725 -10.617 3.602 1.00 0.00 N ATOM 604 CA LEU A 59 -25.826 -10.469 4.578 1.00 0.00 C ATOM 605 C LEU A 59 -26.333 -9.010 4.552 1.00 0.00 C ATOM 606 O LEU A 59 -27.546 -8.760 4.617 1.00 0.00 O ATOM 607 CB LEU A 59 -25.316 -10.882 6.000 1.00 0.00 C ATOM 608 CG LEU A 59 -26.350 -10.941 7.194 1.00 0.00 C ATOM 609 CD1 LEU A 59 -25.817 -11.841 8.334 1.00 0.00 C ATOM 610 CD2 LEU A 59 -26.701 -9.538 7.765 1.00 0.00 C ATOM 0 H LEU A 59 -23.833 -10.858 4.034 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.660 -11.121 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.857 -11.867 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -24.526 -10.186 6.282 1.00 0.00 H new ATOM 0 HG LEU A 59 -27.265 -11.365 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -26.544 -11.868 9.146 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.657 -12.851 7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -24.874 -11.439 8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -27.415 -9.646 8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -25.795 -9.059 8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -27.140 -8.924 6.978 1.00 0.00 H new ATOM 622 N THR A 60 -25.379 -8.061 4.450 1.00 0.00 N ATOM 623 CA THR A 60 -25.663 -6.624 4.458 1.00 0.00 C ATOM 624 C THR A 60 -26.478 -6.252 3.196 1.00 0.00 C ATOM 625 O THR A 60 -26.004 -6.463 2.078 1.00 0.00 O ATOM 626 CB THR A 60 -24.317 -5.830 4.482 1.00 0.00 C ATOM 627 OG1 THR A 60 -23.488 -6.309 5.552 1.00 0.00 O ATOM 628 CG2 THR A 60 -24.509 -4.309 4.621 1.00 0.00 C ATOM 0 H THR A 60 -24.387 -8.279 4.360 1.00 0.00 H new ATOM 0 HA THR A 60 -26.244 -6.368 5.344 1.00 0.00 H new ATOM 0 HB THR A 60 -23.837 -6.002 3.519 1.00 0.00 H new ATOM 0 HG1 THR A 60 -22.645 -5.809 5.562 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.536 -3.819 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 60 -25.094 -3.938 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.034 -4.092 5.551 1.00 0.00 H new ATOM 636 N GLU A 61 -27.702 -5.722 3.377 1.00 0.00 N ATOM 637 CA GLU A 61 -28.578 -5.345 2.242 1.00 0.00 C ATOM 638 C GLU A 61 -28.083 -4.053 1.564 1.00 0.00 C ATOM 639 O GLU A 61 -28.509 -3.719 0.459 1.00 0.00 O ATOM 640 CB GLU A 61 -30.042 -5.178 2.713 1.00 0.00 C ATOM 641 CG GLU A 61 -30.280 -3.986 3.661 1.00 0.00 C ATOM 642 CD GLU A 61 -31.745 -3.844 4.087 1.00 0.00 C ATOM 643 OE1 GLU A 61 -32.533 -3.230 3.336 1.00 0.00 O ATOM 644 OE2 GLU A 61 -32.110 -4.340 5.171 1.00 0.00 O ATOM 0 H GLU A 61 -28.110 -5.544 4.295 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.538 -6.151 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.680 -5.062 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -30.355 -6.093 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -29.659 -4.105 4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -29.960 -3.068 3.169 1.00 0.00 H new ATOM 651 N ASN A 62 -27.186 -3.329 2.255 1.00 0.00 N ATOM 652 CA ASN A 62 -26.580 -2.083 1.756 1.00 0.00 C ATOM 653 C ASN A 62 -25.157 -2.332 1.218 1.00 0.00 C ATOM 654 O ASN A 62 -24.428 -1.377 0.923 1.00 0.00 O ATOM 655 CB ASN A 62 -26.578 -1.023 2.890 1.00 0.00 C ATOM 656 CG ASN A 62 -27.986 -0.673 3.394 1.00 0.00 C ATOM 657 OD1 ASN A 62 -28.960 -0.683 2.639 1.00 0.00 O ATOM 658 ND2 ASN A 62 -28.110 -0.360 4.674 1.00 0.00 N ATOM 0 H ASN A 62 -26.858 -3.595 3.184 1.00 0.00 H new ATOM 0 HA ASN A 62 -27.173 -1.707 0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -25.982 -1.394 3.724 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -26.092 -0.116 2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -29.026 -0.121 5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -27.290 -0.358 5.280 1.00 0.00 H new ATOM 665 N SER A 63 -24.767 -3.621 1.075 1.00 0.00 N ATOM 666 CA SER A 63 -23.466 -3.997 0.486 1.00 0.00 C ATOM 667 C SER A 63 -23.604 -4.096 -1.042 1.00 0.00 C ATOM 668 O SER A 63 -24.721 -4.209 -1.571 1.00 0.00 O ATOM 669 CB SER A 63 -22.959 -5.351 1.060 1.00 0.00 C ATOM 670 OG SER A 63 -23.744 -6.445 0.614 1.00 0.00 O ATOM 0 H SER A 63 -25.338 -4.416 1.361 1.00 0.00 H new ATOM 0 HA SER A 63 -22.737 -3.228 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 63 -21.921 -5.505 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 63 -22.977 -5.312 2.149 1.00 0.00 H new ATOM 0 HG SER A 63 -24.487 -6.590 1.236 1.00 0.00 H new ATOM 676 N ILE A 64 -22.462 -4.062 -1.739 1.00 0.00 N ATOM 677 CA ILE A 64 -22.394 -4.338 -3.187 1.00 0.00 C ATOM 678 C ILE A 64 -22.735 -5.817 -3.481 1.00 0.00 C ATOM 679 O ILE A 64 -23.147 -6.158 -4.586 1.00 0.00 O ATOM 680 CB ILE A 64 -20.970 -4.002 -3.764 1.00 0.00 C ATOM 681 CG1 ILE A 64 -19.859 -4.821 -3.025 1.00 0.00 C ATOM 682 CG2 ILE A 64 -20.696 -2.478 -3.694 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.477 -4.714 -3.629 1.00 0.00 C ATOM 0 H ILE A 64 -21.558 -3.843 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.129 -3.698 -3.675 1.00 0.00 H new ATOM 0 HB ILE A 64 -20.947 -4.295 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -19.813 -4.488 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.152 -5.871 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -19.706 -2.267 -4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.447 -1.946 -4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -20.742 -2.147 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.778 -5.315 -3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.500 -5.077 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.155 -3.673 -3.619 1.00 0.00 H new ATOM 695 N LEU A 65 -22.572 -6.679 -2.456 1.00 0.00 N ATOM 696 CA LEU A 65 -22.805 -8.133 -2.556 1.00 0.00 C ATOM 697 C LEU A 65 -24.287 -8.490 -2.330 1.00 0.00 C ATOM 698 O LEU A 65 -24.674 -9.648 -2.506 1.00 0.00 O ATOM 699 CB LEU A 65 -21.911 -8.873 -1.530 1.00 0.00 C ATOM 700 CG LEU A 65 -20.390 -8.553 -1.585 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.603 -9.415 -0.574 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.835 -8.702 -3.019 1.00 0.00 C ATOM 0 H LEU A 65 -22.272 -6.382 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.544 -8.451 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.274 -8.640 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.040 -9.946 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.258 -7.510 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.543 -9.170 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.965 -9.214 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.745 -10.470 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.770 -8.471 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.986 -9.725 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.357 -8.015 -3.685 1.00 0.00 H new ATOM 714 N ALA A 66 -25.097 -7.492 -1.925 1.00 0.00 N ATOM 715 CA ALA A 66 -26.553 -7.656 -1.715 1.00 0.00 C ATOM 716 C ALA A 66 -27.292 -7.943 -3.035 1.00 0.00 C ATOM 717 O ALA A 66 -28.298 -8.669 -3.052 1.00 0.00 O ATOM 718 CB ALA A 66 -27.126 -6.406 -1.046 1.00 0.00 C ATOM 0 H ALA A 66 -24.762 -6.548 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.703 -8.517 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.198 -6.533 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.639 -6.253 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -26.950 -5.539 -1.683 1.00 0.00 H new ATOM 724 N GLN A 67 -26.785 -7.362 -4.139 1.00 0.00 N ATOM 725 CA GLN A 67 -27.325 -7.613 -5.491 1.00 0.00 C ATOM 726 C GLN A 67 -26.866 -8.998 -6.003 1.00 0.00 C ATOM 727 O GLN A 67 -27.540 -9.617 -6.832 1.00 0.00 O ATOM 728 CB GLN A 67 -26.905 -6.480 -6.473 1.00 0.00 C ATOM 729 CG GLN A 67 -25.400 -6.412 -6.791 1.00 0.00 C ATOM 730 CD GLN A 67 -25.011 -5.217 -7.668 1.00 0.00 C ATOM 731 OE1 GLN A 67 -25.021 -5.297 -8.894 1.00 0.00 O ATOM 732 NE2 GLN A 67 -24.658 -4.102 -7.045 1.00 0.00 N ATOM 0 H GLN A 67 -25.999 -6.713 -4.122 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.414 -7.615 -5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -27.452 -6.610 -7.407 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -27.215 -5.523 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.842 -6.363 -5.856 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -25.101 -7.332 -7.293 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -24.659 -4.065 -6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -24.385 -3.281 -7.585 1.00 0.00 H new ATOM 741 N PHE A 68 -25.711 -9.468 -5.492 1.00 0.00 N ATOM 742 CA PHE A 68 -25.151 -10.801 -5.808 1.00 0.00 C ATOM 743 C PHE A 68 -25.706 -11.888 -4.853 1.00 0.00 C ATOM 744 O PHE A 68 -25.401 -13.075 -5.022 1.00 0.00 O ATOM 745 CB PHE A 68 -23.600 -10.763 -5.721 1.00 0.00 C ATOM 746 CG PHE A 68 -22.920 -9.865 -6.761 1.00 0.00 C ATOM 747 CD1 PHE A 68 -22.861 -10.247 -8.104 1.00 0.00 C ATOM 748 CD2 PHE A 68 -22.328 -8.654 -6.398 1.00 0.00 C ATOM 749 CE1 PHE A 68 -22.234 -9.448 -9.046 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.704 -7.854 -7.342 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.657 -8.251 -8.665 1.00 0.00 C ATOM 0 H PHE A 68 -25.135 -8.931 -4.844 1.00 0.00 H new ATOM 0 HA PHE A 68 -25.451 -11.058 -6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -23.314 -10.423 -4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -23.219 -11.778 -5.833 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -23.311 -11.179 -8.412 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -22.357 -8.336 -5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -22.196 -9.761 -10.079 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -21.254 -6.919 -7.043 1.00 0.00 H new ATOM 0 HZ PHE A 68 -21.170 -7.627 -9.400 1.00 0.00 H new ATOM 761 N ALA A 69 -26.498 -11.467 -3.836 1.00 0.00 N ATOM 762 CA ALA A 69 -27.164 -12.394 -2.895 1.00 0.00 C ATOM 763 C ALA A 69 -28.242 -13.218 -3.632 1.00 0.00 C ATOM 764 O ALA A 69 -29.345 -12.727 -3.910 1.00 0.00 O ATOM 765 CB ALA A 69 -27.757 -11.619 -1.705 1.00 0.00 C ATOM 0 H ALA A 69 -26.690 -10.483 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.425 -13.090 -2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -28.243 -12.316 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -26.960 -11.093 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.489 -10.898 -2.069 1.00 0.00 H new ATOM 771 N GLY A 70 -27.868 -14.453 -3.991 1.00 0.00 N ATOM 772 CA GLY A 70 -28.686 -15.335 -4.830 1.00 0.00 C ATOM 773 C GLY A 70 -27.810 -16.139 -5.772 1.00 0.00 C ATOM 774 O GLY A 70 -28.164 -17.248 -6.180 1.00 0.00 O ATOM 0 H GLY A 70 -26.982 -14.870 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -29.267 -16.009 -4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.398 -14.742 -5.404 1.00 0.00 H new ATOM 778 N GLU A 71 -26.667 -15.543 -6.136 1.00 0.00 N ATOM 779 CA GLU A 71 -25.605 -16.196 -6.913 1.00 0.00 C ATOM 780 C GLU A 71 -24.549 -16.795 -5.955 1.00 0.00 C ATOM 781 O GLU A 71 -24.405 -16.340 -4.810 1.00 0.00 O ATOM 782 CB GLU A 71 -24.966 -15.160 -7.890 1.00 0.00 C ATOM 783 CG GLU A 71 -23.888 -15.714 -8.847 1.00 0.00 C ATOM 784 CD GLU A 71 -24.391 -16.878 -9.728 1.00 0.00 C ATOM 785 OE1 GLU A 71 -25.064 -16.619 -10.748 1.00 0.00 O ATOM 786 OE2 GLU A 71 -24.129 -18.058 -9.397 1.00 0.00 O ATOM 0 H GLU A 71 -26.450 -14.576 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.023 -17.011 -7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.761 -14.714 -8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.523 -14.358 -7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.534 -14.908 -9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -23.033 -16.054 -8.262 1.00 0.00 H new ATOM 793 N ASP A 72 -23.850 -17.843 -6.432 1.00 0.00 N ATOM 794 CA ASP A 72 -22.741 -18.493 -5.710 1.00 0.00 C ATOM 795 C ASP A 72 -21.632 -17.459 -5.388 1.00 0.00 C ATOM 796 O ASP A 72 -21.192 -16.771 -6.303 1.00 0.00 O ATOM 797 CB ASP A 72 -22.157 -19.637 -6.576 1.00 0.00 C ATOM 798 CG ASP A 72 -21.037 -20.420 -5.862 1.00 0.00 C ATOM 799 OD1 ASP A 72 -19.851 -20.038 -5.966 1.00 0.00 O ATOM 800 OD2 ASP A 72 -21.347 -21.417 -5.178 1.00 0.00 O ATOM 0 H ASP A 72 -24.042 -18.266 -7.340 1.00 0.00 H new ATOM 0 HA ASP A 72 -23.120 -18.904 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.958 -20.325 -6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.767 -19.220 -7.504 1.00 0.00 H new ATOM 805 N PRO A 73 -21.180 -17.343 -4.090 1.00 0.00 N ATOM 806 CA PRO A 73 -20.128 -16.377 -3.656 1.00 0.00 C ATOM 807 C PRO A 73 -18.857 -16.307 -4.554 1.00 0.00 C ATOM 808 O PRO A 73 -18.350 -15.212 -4.806 1.00 0.00 O ATOM 809 CB PRO A 73 -19.773 -16.869 -2.234 1.00 0.00 C ATOM 810 CG PRO A 73 -21.060 -17.436 -1.723 1.00 0.00 C ATOM 811 CD PRO A 73 -21.711 -18.104 -2.918 1.00 0.00 C ATOM 0 HA PRO A 73 -20.506 -15.356 -3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.985 -17.621 -2.256 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.417 -16.053 -1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.882 -18.153 -0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -21.699 -16.653 -1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.450 -19.161 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -22.798 -18.047 -2.864 1.00 0.00 H new ATOM 819 N VAL A 74 -18.371 -17.466 -5.048 1.00 0.00 N ATOM 820 CA VAL A 74 -17.151 -17.525 -5.901 1.00 0.00 C ATOM 821 C VAL A 74 -17.429 -16.892 -7.279 1.00 0.00 C ATOM 822 O VAL A 74 -16.678 -16.023 -7.736 1.00 0.00 O ATOM 823 CB VAL A 74 -16.618 -19.000 -6.093 1.00 0.00 C ATOM 824 CG1 VAL A 74 -15.336 -19.040 -6.968 1.00 0.00 C ATOM 825 CG2 VAL A 74 -16.366 -19.681 -4.728 1.00 0.00 C ATOM 0 H VAL A 74 -18.800 -18.375 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.377 -16.959 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 74 -17.394 -19.557 -6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -15.001 -20.072 -7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.554 -18.624 -7.952 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.552 -18.452 -6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.000 -20.695 -4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.623 -19.112 -4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.297 -19.717 -4.162 1.00 0.00 H new ATOM 835 N VAL A 75 -18.542 -17.323 -7.898 1.00 0.00 N ATOM 836 CA VAL A 75 -18.989 -16.839 -9.228 1.00 0.00 C ATOM 837 C VAL A 75 -19.277 -15.320 -9.183 1.00 0.00 C ATOM 838 O VAL A 75 -18.901 -14.560 -10.091 1.00 0.00 O ATOM 839 CB VAL A 75 -20.278 -17.619 -9.704 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.760 -17.146 -11.100 1.00 0.00 C ATOM 841 CG2 VAL A 75 -20.033 -19.148 -9.688 1.00 0.00 C ATOM 0 H VAL A 75 -19.165 -18.021 -7.492 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.187 -17.025 -9.942 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.075 -17.392 -8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -21.648 -17.708 -11.388 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -21.000 -16.083 -11.061 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.971 -17.313 -11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.934 -19.664 -10.019 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -19.208 -19.391 -10.358 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.784 -19.466 -8.676 1.00 0.00 H new ATOM 851 N ALA A 76 -19.906 -14.907 -8.074 1.00 0.00 N ATOM 852 CA ALA A 76 -20.274 -13.510 -7.789 1.00 0.00 C ATOM 853 C ALA A 76 -19.027 -12.635 -7.560 1.00 0.00 C ATOM 854 O ALA A 76 -19.018 -11.456 -7.920 1.00 0.00 O ATOM 855 CB ALA A 76 -21.200 -13.461 -6.560 1.00 0.00 C ATOM 0 H ALA A 76 -20.180 -15.550 -7.331 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.800 -13.109 -8.655 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.472 -12.426 -6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -22.102 -14.039 -6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.683 -13.882 -5.698 1.00 0.00 H new ATOM 861 N LEU A 77 -17.979 -13.242 -6.971 1.00 0.00 N ATOM 862 CA LEU A 77 -16.700 -12.567 -6.680 1.00 0.00 C ATOM 863 C LEU A 77 -15.974 -12.250 -8.001 1.00 0.00 C ATOM 864 O LEU A 77 -15.517 -11.129 -8.206 1.00 0.00 O ATOM 865 CB LEU A 77 -15.832 -13.470 -5.739 1.00 0.00 C ATOM 866 CG LEU A 77 -14.699 -12.779 -4.893 1.00 0.00 C ATOM 867 CD1 LEU A 77 -14.229 -13.699 -3.743 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.493 -12.341 -5.752 1.00 0.00 C ATOM 0 H LEU A 77 -17.996 -14.220 -6.682 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.880 -11.624 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.505 -13.975 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.367 -14.242 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.139 -11.875 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.446 -13.198 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.071 -13.920 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.839 -14.629 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.744 -11.871 -5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.058 -13.213 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.824 -11.629 -6.508 1.00 0.00 H new ATOM 880 N GLU A 78 -15.917 -13.255 -8.898 1.00 0.00 N ATOM 881 CA GLU A 78 -15.245 -13.137 -10.212 1.00 0.00 C ATOM 882 C GLU A 78 -15.939 -12.086 -11.103 1.00 0.00 C ATOM 883 O GLU A 78 -15.271 -11.296 -11.788 1.00 0.00 O ATOM 884 CB GLU A 78 -15.231 -14.509 -10.924 1.00 0.00 C ATOM 885 CG GLU A 78 -14.507 -15.620 -10.148 1.00 0.00 C ATOM 886 CD GLU A 78 -14.541 -16.963 -10.889 1.00 0.00 C ATOM 887 OE1 GLU A 78 -15.579 -17.661 -10.820 1.00 0.00 O ATOM 888 OE2 GLU A 78 -13.551 -17.300 -11.578 1.00 0.00 O ATOM 0 H GLU A 78 -16.334 -14.171 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.220 -12.809 -10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.260 -14.821 -11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.756 -14.394 -11.898 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.471 -15.327 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.969 -15.736 -9.168 1.00 0.00 H new ATOM 895 N ALA A 79 -17.284 -12.089 -11.068 1.00 0.00 N ATOM 896 CA ALA A 79 -18.123 -11.095 -11.770 1.00 0.00 C ATOM 897 C ALA A 79 -17.870 -9.680 -11.209 1.00 0.00 C ATOM 898 O ALA A 79 -17.819 -8.694 -11.953 1.00 0.00 O ATOM 899 CB ALA A 79 -19.609 -11.479 -11.641 1.00 0.00 C ATOM 0 H ALA A 79 -17.824 -12.783 -10.551 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.856 -11.090 -12.827 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.222 -10.742 -12.161 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.770 -12.462 -12.083 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.888 -11.505 -10.588 1.00 0.00 H new ATOM 905 N ALA A 80 -17.675 -9.618 -9.882 1.00 0.00 N ATOM 906 CA ALA A 80 -17.398 -8.371 -9.153 1.00 0.00 C ATOM 907 C ALA A 80 -15.958 -7.858 -9.387 1.00 0.00 C ATOM 908 O ALA A 80 -15.688 -6.674 -9.196 1.00 0.00 O ATOM 909 CB ALA A 80 -17.666 -8.575 -7.657 1.00 0.00 C ATOM 0 H ALA A 80 -17.706 -10.441 -9.280 1.00 0.00 H new ATOM 0 HA ALA A 80 -18.069 -7.604 -9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.460 -7.649 -7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.709 -8.855 -7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.020 -9.366 -7.276 1.00 0.00 H new ATOM 915 N LEU A 81 -15.033 -8.761 -9.777 1.00 0.00 N ATOM 916 CA LEU A 81 -13.659 -8.374 -10.175 1.00 0.00 C ATOM 917 C LEU A 81 -13.676 -7.732 -11.565 1.00 0.00 C ATOM 918 O LEU A 81 -12.928 -6.785 -11.836 1.00 0.00 O ATOM 919 CB LEU A 81 -12.704 -9.598 -10.175 1.00 0.00 C ATOM 920 CG LEU A 81 -12.476 -10.283 -8.797 1.00 0.00 C ATOM 921 CD1 LEU A 81 -11.505 -11.477 -8.913 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.999 -9.269 -7.739 1.00 0.00 C ATOM 0 H LEU A 81 -15.211 -9.764 -9.825 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.290 -7.654 -9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.098 -10.342 -10.868 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.737 -9.280 -10.565 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.436 -10.677 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.369 -11.932 -7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.917 -12.215 -9.601 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.543 -11.128 -9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.849 -9.779 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.060 -8.821 -8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.751 -8.489 -7.618 1.00 0.00 H new ATOM 934 N GLN A 82 -14.545 -8.273 -12.435 1.00 0.00 N ATOM 935 CA GLN A 82 -14.729 -7.783 -13.810 1.00 0.00 C ATOM 936 C GLN A 82 -15.488 -6.435 -13.807 1.00 0.00 C ATOM 937 O GLN A 82 -15.316 -5.610 -14.712 1.00 0.00 O ATOM 938 CB GLN A 82 -15.482 -8.858 -14.658 1.00 0.00 C ATOM 939 CG GLN A 82 -15.569 -8.579 -16.180 1.00 0.00 C ATOM 940 CD GLN A 82 -14.224 -8.669 -16.936 1.00 0.00 C ATOM 941 OE1 GLN A 82 -13.146 -8.407 -16.397 1.00 0.00 O ATOM 942 NE2 GLN A 82 -14.285 -9.033 -18.208 1.00 0.00 N ATOM 0 H GLN A 82 -15.142 -9.066 -12.202 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.753 -7.611 -14.264 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -14.989 -9.819 -14.512 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -16.495 -8.957 -14.268 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -16.267 -9.288 -16.625 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -15.987 -7.583 -16.329 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -15.187 -9.245 -18.635 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.430 -9.101 -18.761 1.00 0.00 H new ATOM 951 N PHE A 83 -16.315 -6.209 -12.763 1.00 0.00 N ATOM 952 CA PHE A 83 -17.114 -4.981 -12.621 1.00 0.00 C ATOM 953 C PHE A 83 -16.360 -3.976 -11.728 1.00 0.00 C ATOM 954 O PHE A 83 -16.049 -4.268 -10.567 1.00 0.00 O ATOM 955 CB PHE A 83 -18.512 -5.314 -12.039 1.00 0.00 C ATOM 956 CG PHE A 83 -19.529 -4.170 -12.074 1.00 0.00 C ATOM 957 CD1 PHE A 83 -19.560 -3.261 -13.136 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.477 -4.027 -11.060 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.506 -2.256 -13.182 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.419 -3.016 -11.105 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.432 -2.130 -12.165 1.00 0.00 C ATOM 0 H PHE A 83 -16.444 -6.873 -11.999 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.263 -4.528 -13.601 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.924 -6.160 -12.589 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.389 -5.636 -11.005 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -18.834 -3.346 -13.931 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.475 -4.716 -10.228 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -20.522 -1.568 -14.014 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -22.145 -2.919 -10.311 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.166 -1.339 -12.198 1.00 0.00 H new ATOM 971 N GLU A 84 -16.081 -2.791 -12.292 1.00 0.00 N ATOM 972 CA GLU A 84 -15.240 -1.755 -11.665 1.00 0.00 C ATOM 973 C GLU A 84 -15.848 -1.190 -10.361 1.00 0.00 C ATOM 974 O GLU A 84 -15.122 -0.910 -9.400 1.00 0.00 O ATOM 975 CB GLU A 84 -14.955 -0.627 -12.687 1.00 0.00 C ATOM 976 CG GLU A 84 -16.208 0.027 -13.305 1.00 0.00 C ATOM 977 CD GLU A 84 -15.874 1.151 -14.296 1.00 0.00 C ATOM 978 OE1 GLU A 84 -15.664 2.300 -13.853 1.00 0.00 O ATOM 979 OE2 GLU A 84 -15.804 0.889 -15.514 1.00 0.00 O ATOM 0 H GLU A 84 -16.437 -2.520 -13.209 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.301 -2.226 -11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.365 0.147 -12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.342 -1.033 -13.491 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.795 -0.737 -13.815 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.832 0.428 -12.507 1.00 0.00 H new ATOM 986 N ASP A 85 -17.183 -1.066 -10.330 1.00 0.00 N ATOM 987 CA ASP A 85 -17.917 -0.472 -9.191 1.00 0.00 C ATOM 988 C ASP A 85 -17.930 -1.398 -7.962 1.00 0.00 C ATOM 989 O ASP A 85 -18.309 -0.966 -6.862 1.00 0.00 O ATOM 990 CB ASP A 85 -19.373 -0.139 -9.611 1.00 0.00 C ATOM 991 CG ASP A 85 -19.454 0.893 -10.753 1.00 0.00 C ATOM 992 OD1 ASP A 85 -19.155 0.537 -11.912 1.00 0.00 O ATOM 993 OD2 ASP A 85 -19.812 2.064 -10.506 1.00 0.00 O ATOM 0 H ASP A 85 -17.789 -1.373 -11.091 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.394 0.442 -8.910 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.873 -1.056 -9.922 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.916 0.242 -8.746 1.00 0.00 H new ATOM 998 N THR A 86 -17.537 -2.668 -8.160 1.00 0.00 N ATOM 999 CA THR A 86 -17.537 -3.686 -7.101 1.00 0.00 C ATOM 1000 C THR A 86 -16.115 -4.231 -6.798 1.00 0.00 C ATOM 1001 O THR A 86 -15.917 -4.880 -5.763 1.00 0.00 O ATOM 1002 CB THR A 86 -18.499 -4.849 -7.494 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.205 -5.290 -8.823 1.00 0.00 O ATOM 1004 CG2 THR A 86 -19.979 -4.431 -7.430 1.00 0.00 C ATOM 0 H THR A 86 -17.210 -3.016 -9.061 1.00 0.00 H new ATOM 0 HA THR A 86 -17.889 -3.211 -6.185 1.00 0.00 H new ATOM 0 HB THR A 86 -18.341 -5.652 -6.774 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.314 -5.698 -8.843 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.608 -5.275 -7.712 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.225 -4.118 -6.415 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.153 -3.603 -8.117 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.125 -3.957 -7.686 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.725 -4.458 -7.510 1.00 0.00 C ATOM 1014 C ARG A 87 -12.980 -3.663 -6.417 1.00 0.00 C ATOM 1015 O ARG A 87 -11.987 -4.137 -5.847 1.00 0.00 O ATOM 1016 CB ARG A 87 -12.927 -4.387 -8.850 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.561 -2.957 -9.291 1.00 0.00 C ATOM 1018 CD ARG A 87 -11.755 -2.903 -10.598 1.00 0.00 C ATOM 1019 NE ARG A 87 -11.445 -1.509 -10.970 1.00 0.00 N ATOM 1020 CZ ARG A 87 -11.319 -1.036 -12.217 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -11.486 -1.822 -13.279 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -11.013 0.233 -12.395 1.00 0.00 N ATOM 0 H ARG A 87 -15.262 -3.397 -8.527 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.794 -5.500 -7.198 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.011 -4.969 -8.746 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.516 -4.858 -9.636 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.477 -2.378 -9.414 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.985 -2.478 -8.499 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.829 -3.467 -10.482 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.321 -3.380 -11.398 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.315 -0.844 -10.207 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.715 -2.808 -13.153 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.385 -1.438 -14.219 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.875 0.842 -11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.914 0.606 -13.339 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.480 -2.448 -6.140 1.00 0.00 N ATOM 1037 CA GLU A 88 -12.869 -1.509 -5.179 1.00 0.00 C ATOM 1038 C GLU A 88 -12.936 -2.037 -3.725 1.00 0.00 C ATOM 1039 O GLU A 88 -11.995 -1.853 -2.955 1.00 0.00 O ATOM 1040 CB GLU A 88 -13.500 -0.083 -5.332 1.00 0.00 C ATOM 1041 CG GLU A 88 -15.022 -0.035 -5.627 1.00 0.00 C ATOM 1042 CD GLU A 88 -15.899 -0.533 -4.466 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -16.001 0.177 -3.445 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -16.468 -1.642 -4.556 1.00 0.00 O ATOM 0 H GLU A 88 -14.326 -2.085 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.808 -1.426 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.311 0.475 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.979 0.438 -6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.303 0.990 -5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.230 -0.638 -6.511 1.00 0.00 H new ATOM 1051 N SER A 89 -14.027 -2.733 -3.371 1.00 0.00 N ATOM 1052 CA SER A 89 -14.186 -3.344 -2.036 1.00 0.00 C ATOM 1053 C SER A 89 -13.369 -4.652 -1.960 1.00 0.00 C ATOM 1054 O SER A 89 -12.976 -5.086 -0.874 1.00 0.00 O ATOM 1055 CB SER A 89 -15.683 -3.602 -1.759 1.00 0.00 C ATOM 1056 OG SER A 89 -15.924 -4.010 -0.419 1.00 0.00 O ATOM 0 H SER A 89 -14.820 -2.889 -3.994 1.00 0.00 H new ATOM 0 HA SER A 89 -13.809 -2.664 -1.272 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.250 -2.694 -1.967 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.049 -4.370 -2.441 1.00 0.00 H new ATOM 0 HG SER A 89 -16.884 -4.160 -0.290 1.00 0.00 H new ATOM 1062 N MET A 90 -13.068 -5.247 -3.141 1.00 0.00 N ATOM 1063 CA MET A 90 -12.254 -6.482 -3.246 1.00 0.00 C ATOM 1064 C MET A 90 -10.772 -6.218 -2.927 1.00 0.00 C ATOM 1065 O MET A 90 -9.976 -7.150 -2.882 1.00 0.00 O ATOM 1066 CB MET A 90 -12.406 -7.110 -4.649 1.00 0.00 C ATOM 1067 CG MET A 90 -13.855 -7.414 -5.027 1.00 0.00 C ATOM 1068 SD MET A 90 -14.665 -8.486 -3.825 1.00 0.00 S ATOM 1069 CE MET A 90 -16.378 -8.285 -4.287 1.00 0.00 C ATOM 0 H MET A 90 -13.381 -4.886 -4.042 1.00 0.00 H new ATOM 0 HA MET A 90 -12.626 -7.187 -2.503 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.980 -6.433 -5.389 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.827 -8.033 -4.690 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.410 -6.480 -5.110 1.00 0.00 H new ATOM 0 HG3 MET A 90 -13.880 -7.888 -6.008 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.963 -8.018 -3.407 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.463 -7.495 -5.033 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.755 -9.219 -4.703 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.414 -4.939 -2.706 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.094 -4.552 -2.168 1.00 0.00 C ATOM 1081 C HIS A 91 -8.984 -4.985 -0.689 1.00 0.00 C ATOM 1082 O HIS A 91 -7.887 -5.244 -0.192 1.00 0.00 O ATOM 1083 CB HIS A 91 -8.872 -3.022 -2.316 1.00 0.00 C ATOM 1084 CG HIS A 91 -8.739 -2.549 -3.747 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -9.647 -2.875 -4.735 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -7.790 -1.794 -4.360 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -9.268 -2.340 -5.878 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -8.146 -1.683 -5.679 1.00 0.00 N ATOM 0 H HIS A 91 -11.028 -4.147 -2.894 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.316 -5.059 -2.738 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.706 -2.499 -1.848 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.972 -2.742 -1.768 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -10.483 -3.443 -4.601 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.917 -1.361 -3.894 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.790 -2.426 -6.819 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.146 -5.059 -0.004 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.253 -5.561 1.381 1.00 0.00 C ATOM 1099 C ALA A 92 -10.397 -7.100 1.396 1.00 0.00 C ATOM 1100 O ALA A 92 -9.796 -7.773 2.238 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.446 -4.899 2.089 1.00 0.00 C ATOM 0 H ALA A 92 -11.041 -4.770 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.340 -5.303 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.518 -5.275 3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.303 -3.819 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.364 -5.134 1.551 1.00 0.00 H new ATOM 1107 N PHE A 93 -11.207 -7.643 0.455 1.00 0.00 N ATOM 1108 CA PHE A 93 -11.412 -9.113 0.307 1.00 0.00 C ATOM 1109 C PHE A 93 -10.125 -9.821 -0.157 1.00 0.00 C ATOM 1110 O PHE A 93 -9.963 -11.030 0.056 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.582 -9.422 -0.672 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.949 -8.968 -0.155 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -14.635 -9.721 0.791 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.535 -7.783 -0.592 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.858 -9.303 1.275 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.759 -7.366 -0.104 1.00 0.00 C ATOM 1117 CZ PHE A 93 -16.417 -8.128 0.830 1.00 0.00 C ATOM 0 H PHE A 93 -11.733 -7.086 -0.218 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.674 -9.501 1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -12.384 -8.935 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.612 -10.495 -0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -14.206 -10.644 1.152 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -14.023 -7.178 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -16.379 -9.902 2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.197 -6.444 -0.456 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.373 -7.805 1.215 1.00 0.00 H new ATOM 1127 N CYS A 94 -9.221 -9.058 -0.800 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.886 -9.544 -1.175 1.00 0.00 C ATOM 1129 C CYS A 94 -7.039 -9.696 0.095 1.00 0.00 C ATOM 1130 O CYS A 94 -6.441 -8.731 0.579 1.00 0.00 O ATOM 1131 CB CYS A 94 -7.208 -8.583 -2.180 1.00 0.00 C ATOM 1132 SG CYS A 94 -5.591 -9.140 -2.777 1.00 0.00 S ATOM 0 H CYS A 94 -9.398 -8.091 -1.072 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.979 -10.512 -1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -7.870 -8.446 -3.035 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.091 -7.607 -1.708 1.00 0.00 H new ATOM 0 HG CYS A 94 -5.355 -10.339 -2.335 1.00 0.00 H new ATOM 1138 N VAL A 95 -7.060 -10.911 0.662 1.00 0.00 N ATOM 1139 CA VAL A 95 -6.290 -11.255 1.872 1.00 0.00 C ATOM 1140 C VAL A 95 -4.776 -11.301 1.577 1.00 0.00 C ATOM 1141 O VAL A 95 -3.953 -11.239 2.499 1.00 0.00 O ATOM 1142 CB VAL A 95 -6.771 -12.627 2.470 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -8.250 -12.554 2.931 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -6.566 -13.774 1.459 1.00 0.00 C ATOM 0 H VAL A 95 -7.612 -11.686 0.295 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.469 -10.473 2.610 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.159 -12.836 3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.552 -13.518 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.355 -11.786 3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.884 -12.306 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.907 -14.711 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.138 -13.568 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.508 -13.854 1.209 1.00 0.00 H new ATOM 1154 N GLY A 96 -4.433 -11.429 0.281 1.00 0.00 N ATOM 1155 CA GLY A 96 -3.049 -11.392 -0.171 1.00 0.00 C ATOM 1156 C GLY A 96 -2.912 -11.752 -1.640 1.00 0.00 C ATOM 1157 O GLY A 96 -3.905 -12.043 -2.305 1.00 0.00 O ATOM 0 H GLY A 96 -5.111 -11.560 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.641 -10.395 -0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.455 -12.083 0.427 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.676 -11.694 -2.151 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.340 -12.129 -3.519 1.00 0.00 C ATOM 1163 C GLN A 97 -0.795 -13.562 -3.459 1.00 0.00 C ATOM 1164 O GLN A 97 -0.012 -13.885 -2.560 1.00 0.00 O ATOM 1165 CB GLN A 97 -0.290 -11.167 -4.141 1.00 0.00 C ATOM 1166 CG GLN A 97 0.133 -11.520 -5.586 1.00 0.00 C ATOM 1167 CD GLN A 97 1.235 -10.621 -6.168 1.00 0.00 C ATOM 1168 OE1 GLN A 97 1.272 -10.367 -7.369 1.00 0.00 O ATOM 1169 NE2 GLN A 97 2.156 -10.154 -5.329 1.00 0.00 N ATOM 0 H GLN A 97 -0.874 -11.343 -1.627 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.230 -12.107 -4.147 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.694 -10.155 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.597 -11.161 -3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.477 -12.554 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.743 -11.462 -6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.102 -10.380 -4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.916 -9.570 -5.679 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.205 -14.411 -4.417 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.764 -15.814 -4.474 1.00 0.00 C ATOM 1180 C TYR A 98 0.705 -15.916 -4.930 1.00 0.00 C ATOM 1181 O TYR A 98 1.171 -15.129 -5.764 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.684 -16.646 -5.406 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.345 -18.151 -5.469 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.446 -18.966 -4.333 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -0.911 -18.754 -6.655 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.132 -20.311 -4.383 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -0.598 -20.096 -6.701 1.00 0.00 C ATOM 1188 CZ TYR A 98 -0.706 -20.867 -5.566 1.00 0.00 C ATOM 1189 OH TYR A 98 -0.388 -22.207 -5.624 1.00 0.00 O ATOM 0 H TYR A 98 -1.845 -14.147 -5.166 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.835 -16.226 -3.467 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.715 -16.533 -5.071 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.628 -16.232 -6.413 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.776 -18.534 -3.400 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.820 -18.157 -7.551 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.221 -20.922 -3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.268 -20.542 -7.628 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.106 -22.437 -6.534 1.00 0.00 H new ATOM 1199 N LEU A 99 1.402 -16.911 -4.373 1.00 0.00 N ATOM 1200 CA LEU A 99 2.794 -17.215 -4.673 1.00 0.00 C ATOM 1201 C LEU A 99 2.890 -18.747 -4.825 1.00 0.00 C ATOM 1202 O LEU A 99 2.534 -19.489 -3.909 1.00 0.00 O ATOM 1203 CB LEU A 99 3.712 -16.643 -3.529 1.00 0.00 C ATOM 1204 CG LEU A 99 5.262 -16.570 -3.799 1.00 0.00 C ATOM 1205 CD1 LEU A 99 5.999 -15.775 -2.701 1.00 0.00 C ATOM 1206 CD2 LEU A 99 5.904 -17.959 -3.934 1.00 0.00 C ATOM 0 H LEU A 99 0.997 -17.542 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 99 3.138 -16.749 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.365 -15.637 -3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.555 -17.251 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 99 5.368 -16.049 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.065 -15.748 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.610 -14.757 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.843 -16.257 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.973 -17.849 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.751 -18.522 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.444 -18.493 -4.766 1.00 0.00 H new ATOM 1218 N GLU A 100 3.349 -19.212 -5.993 1.00 0.00 N ATOM 1219 CA GLU A 100 3.580 -20.644 -6.263 1.00 0.00 C ATOM 1220 C GLU A 100 4.924 -21.089 -5.638 1.00 0.00 C ATOM 1221 O GLU A 100 5.928 -20.395 -5.814 1.00 0.00 O ATOM 1222 CB GLU A 100 3.627 -20.864 -7.793 1.00 0.00 C ATOM 1223 CG GLU A 100 2.345 -20.453 -8.543 1.00 0.00 C ATOM 1224 CD GLU A 100 2.573 -20.214 -10.049 1.00 0.00 C ATOM 1225 OE1 GLU A 100 3.035 -19.110 -10.416 1.00 0.00 O ATOM 1226 OE2 GLU A 100 2.311 -21.121 -10.867 1.00 0.00 O ATOM 0 H GLU A 100 3.573 -18.607 -6.783 1.00 0.00 H new ATOM 0 HA GLU A 100 2.773 -21.232 -5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.467 -20.302 -8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.824 -21.918 -7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.592 -21.230 -8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.945 -19.544 -8.094 1.00 0.00 H new ATOM 1233 N PRO A 101 4.978 -22.235 -4.896 1.00 0.00 N ATOM 1234 CA PRO A 101 6.256 -22.768 -4.346 1.00 0.00 C ATOM 1235 C PRO A 101 7.306 -23.041 -5.457 1.00 0.00 C ATOM 1236 O PRO A 101 8.511 -22.913 -5.229 1.00 0.00 O ATOM 1237 CB PRO A 101 5.826 -24.070 -3.611 1.00 0.00 C ATOM 1238 CG PRO A 101 4.479 -24.410 -4.177 1.00 0.00 C ATOM 1239 CD PRO A 101 3.825 -23.083 -4.511 1.00 0.00 C ATOM 0 HA PRO A 101 6.752 -22.059 -3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.541 -24.875 -3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.773 -23.916 -2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.574 -25.034 -5.066 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.882 -24.970 -3.457 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.105 -23.180 -5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.287 -22.671 -3.657 1.00 0.00 H new ATOM 1247 N ASP A 102 6.812 -23.381 -6.666 1.00 0.00 N ATOM 1248 CA ASP A 102 7.648 -23.624 -7.867 1.00 0.00 C ATOM 1249 C ASP A 102 8.153 -22.297 -8.490 1.00 0.00 C ATOM 1250 O ASP A 102 9.212 -22.262 -9.126 1.00 0.00 O ATOM 1251 CB ASP A 102 6.836 -24.457 -8.899 1.00 0.00 C ATOM 1252 CG ASP A 102 7.607 -24.792 -10.193 1.00 0.00 C ATOM 1253 OD1 ASP A 102 8.651 -25.473 -10.113 1.00 0.00 O ATOM 1254 OD2 ASP A 102 7.158 -24.410 -11.291 1.00 0.00 O ATOM 0 H ASP A 102 5.814 -23.496 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 102 8.532 -24.187 -7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.519 -25.387 -8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.932 -23.908 -9.161 1.00 0.00 H new ATOM 1259 N GLN A 103 7.389 -21.209 -8.271 1.00 0.00 N ATOM 1260 CA GLN A 103 7.743 -19.843 -8.733 1.00 0.00 C ATOM 1261 C GLN A 103 9.000 -19.333 -7.990 1.00 0.00 C ATOM 1262 O GLN A 103 9.775 -18.522 -8.524 1.00 0.00 O ATOM 1263 CB GLN A 103 6.530 -18.898 -8.498 1.00 0.00 C ATOM 1264 CG GLN A 103 6.603 -17.523 -9.171 1.00 0.00 C ATOM 1265 CD GLN A 103 6.633 -17.600 -10.698 1.00 0.00 C ATOM 1266 OE1 GLN A 103 7.698 -17.644 -11.314 1.00 0.00 O ATOM 1267 NE2 GLN A 103 5.466 -17.645 -11.322 1.00 0.00 N ATOM 0 H GLN A 103 6.503 -21.248 -7.766 1.00 0.00 H new ATOM 0 HA GLN A 103 7.975 -19.863 -9.798 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.630 -19.403 -8.847 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.415 -18.748 -7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.744 -16.928 -8.861 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.495 -17.002 -8.822 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.599 -17.607 -10.786 1.00 0.00 H new ATOM 0 HE22 GLN A 103 5.434 -17.718 -12.339 1.00 0.00 H new