USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 967 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 MET CE :methyl -103:sc= -0.015 (180deg=-0.486) USER MOD Set 1.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 THR OG1 : rot -178:sc= 1.56 USER MOD Set 2.2: A 30 LYS NZ :NH3+ -128:sc= 0.29 (180deg=0.519) USER MOD Set 3.1: A 26 THR OG1 : rot -65:sc= 1.7 USER MOD Set 3.2: A 60 ASN : amide:sc= 0.235 K(o=2.1,f=-1.2!) USER MOD Set 3.3: A 62 THR OG1 : rot 176:sc= 0.21 USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0.0087 USER MOD Set 4.2: A 8 GLN : amide:sc= 0 X(o=0.0087,f=-0.35) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00518 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -78:sc= 1.31 USER MOD Single : A 34 THR OG1 : rot 70:sc= 0.148 USER MOD Single : A 38 SER OG : rot -31:sc= 0.106 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0305 X(o=-0.031,f=-0.33) USER MOD Single : A 44 THR OG1 : rot -85:sc= 1.11 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 53 ASN : amide:sc= -0.0118 K(o=-0.012,f=-1.7!) USER MOD Single : A 70 THR OG1 : rot 89:sc= 1.08 USER MOD Single : A 71 MET CE :methyl -146:sc= 0 (180deg=-0.156) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0446) USER MOD Single : A 97 ASN : amide:sc= -0.321 K(o=-0.32,f=-2.4) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.114 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -162:sc= -0.0922 (180deg=-0.624) USER MOD Single : A 110 THR OG1 : rot 10:sc= 0.205 USER MOD Single : A 111 ASN : amide:sc= -0.0405 K(o=-0.041,f=-0.94) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -87:sc= 1.3 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.168 K(o=-0.17,f=-3.4!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.592 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 179:sc= 0 (180deg=-4.24e-06) USER MOD Single : A 145 MET CE :methyl 176:sc= -2.51! (180deg=-2.73!) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.558 16.010 0.391 1.00 0.00 N ATOM 59 CA THR A 5 -13.183 17.098 -0.295 1.00 0.00 C ATOM 60 C THR A 5 -14.554 16.708 -0.729 1.00 0.00 C ATOM 61 O THR A 5 -14.866 15.563 -1.051 1.00 0.00 O ATOM 62 CB THR A 5 -12.488 17.738 -1.459 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.342 16.952 -2.633 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.057 18.126 -1.048 1.00 0.00 C ATOM 0 HA THR A 5 -13.158 17.874 0.471 1.00 0.00 H new ATOM 0 HB THR A 5 -13.142 18.574 -1.708 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.877 17.474 -3.320 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.549 18.592 -1.893 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.095 18.829 -0.216 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.511 17.233 -0.744 1.00 0.00 H new ATOM 72 N GLU A 6 -15.464 17.690 -0.862 1.00 0.00 N ATOM 73 CA GLU A 6 -16.786 17.484 -1.364 1.00 0.00 C ATOM 74 C GLU A 6 -16.917 16.828 -2.695 1.00 0.00 C ATOM 75 O GLU A 6 -17.697 15.896 -2.886 1.00 0.00 O ATOM 76 CB GLU A 6 -17.617 18.778 -1.316 1.00 0.00 C ATOM 77 CG GLU A 6 -19.118 18.486 -1.362 1.00 0.00 C ATOM 78 CD GLU A 6 -20.014 19.592 -0.823 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.009 20.727 -1.371 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.701 19.343 0.203 1.00 0.00 O ATOM 0 H GLU A 6 -15.272 18.660 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.189 16.745 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.381 19.329 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.344 19.417 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.400 18.284 -2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.312 17.576 -0.795 1.00 0.00 H new ATOM 87 N GLU A 7 -16.097 17.221 -3.687 1.00 0.00 N ATOM 88 CA GLU A 7 -16.047 16.476 -4.906 1.00 0.00 C ATOM 89 C GLU A 7 -15.442 15.114 -4.915 1.00 0.00 C ATOM 90 O GLU A 7 -15.914 14.207 -5.599 1.00 0.00 O ATOM 91 CB GLU A 7 -15.353 17.284 -6.015 1.00 0.00 C ATOM 92 CG GLU A 7 -15.862 17.090 -7.445 1.00 0.00 C ATOM 93 CD GLU A 7 -15.108 18.030 -8.374 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.408 19.254 -8.351 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.226 17.531 -9.122 1.00 0.00 O ATOM 0 H GLU A 7 -15.483 18.034 -3.648 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.111 16.304 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.439 18.342 -5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.291 17.038 -5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.718 16.056 -7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.932 17.292 -7.494 1.00 0.00 H new ATOM 102 N GLN A 8 -14.494 14.794 -4.017 1.00 0.00 N ATOM 103 CA GLN A 8 -14.044 13.494 -3.628 1.00 0.00 C ATOM 104 C GLN A 8 -15.126 12.686 -2.997 1.00 0.00 C ATOM 105 O GLN A 8 -15.335 11.544 -3.401 1.00 0.00 O ATOM 106 CB GLN A 8 -12.764 13.576 -2.779 1.00 0.00 C ATOM 107 CG GLN A 8 -11.517 13.798 -3.637 1.00 0.00 C ATOM 108 CD GLN A 8 -10.276 14.253 -2.883 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.277 14.579 -1.697 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.149 13.936 -3.576 1.00 0.00 N ATOM 0 H GLN A 8 -13.992 15.524 -3.512 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.775 12.952 -4.535 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.858 14.390 -2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.650 12.656 -2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.285 12.869 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.750 14.541 -4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.212 13.673 -4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.241 13.961 -3.112 1.00 0.00 H new ATOM 119 N ILE A 9 -15.846 13.180 -1.974 1.00 0.00 N ATOM 120 CA ILE A 9 -16.962 12.584 -1.307 1.00 0.00 C ATOM 121 C ILE A 9 -18.015 12.206 -2.290 1.00 0.00 C ATOM 122 O ILE A 9 -18.402 11.051 -2.466 1.00 0.00 O ATOM 123 CB ILE A 9 -17.300 13.436 -0.119 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.302 13.439 1.051 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.646 13.008 0.490 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.358 14.615 2.025 1.00 0.00 C ATOM 0 H ILE A 9 -15.621 14.091 -1.575 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.759 11.610 -0.861 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.299 14.436 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.451 12.522 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.296 13.395 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.873 13.638 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.433 13.115 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.587 11.967 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.600 14.485 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.171 15.543 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.344 14.657 2.488 1.00 0.00 H new ATOM 138 N ALA A 10 -18.436 13.144 -3.157 1.00 0.00 N ATOM 139 CA ALA A 10 -19.266 12.854 -4.284 1.00 0.00 C ATOM 140 C ALA A 10 -18.824 11.916 -5.354 1.00 0.00 C ATOM 141 O ALA A 10 -19.667 11.236 -5.937 1.00 0.00 O ATOM 142 CB ALA A 10 -19.502 14.178 -5.031 1.00 0.00 C ATOM 0 H ALA A 10 -18.192 14.131 -3.072 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.105 12.351 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.134 13.997 -5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.994 14.888 -4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.546 14.588 -5.356 1.00 0.00 H new ATOM 148 N GLU A 11 -17.534 11.810 -5.718 1.00 0.00 N ATOM 149 CA GLU A 11 -17.090 10.787 -6.613 1.00 0.00 C ATOM 150 C GLU A 11 -17.143 9.398 -6.076 1.00 0.00 C ATOM 151 O GLU A 11 -17.660 8.500 -6.739 1.00 0.00 O ATOM 152 CB GLU A 11 -15.689 11.111 -7.159 1.00 0.00 C ATOM 153 CG GLU A 11 -15.232 10.477 -8.474 1.00 0.00 C ATOM 154 CD GLU A 11 -13.717 10.603 -8.551 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.301 11.753 -8.853 1.00 0.00 O ATOM 156 OE2 GLU A 11 -13.020 9.584 -8.298 1.00 0.00 O ATOM 0 H GLU A 11 -16.796 12.434 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.817 10.795 -7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.626 12.193 -7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.966 10.832 -6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.531 9.430 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.700 10.977 -9.322 1.00 0.00 H new ATOM 163 N PHE A 12 -16.623 9.258 -4.843 1.00 0.00 N ATOM 164 CA PHE A 12 -16.811 8.073 -4.065 1.00 0.00 C ATOM 165 C PHE A 12 -18.248 7.711 -3.918 1.00 0.00 C ATOM 166 O PHE A 12 -18.755 6.604 -4.094 1.00 0.00 O ATOM 167 CB PHE A 12 -16.299 8.198 -2.621 1.00 0.00 C ATOM 168 CG PHE A 12 -14.831 7.965 -2.517 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.338 6.733 -2.879 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.014 8.942 -1.998 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.971 6.610 -2.812 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.658 8.757 -1.871 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.126 7.559 -2.286 1.00 0.00 C ATOM 0 H PHE A 12 -16.065 9.976 -4.380 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.248 7.323 -4.621 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.534 9.192 -2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.824 7.481 -1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.978 5.922 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.449 9.879 -1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.529 5.704 -3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.028 9.531 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.067 7.367 -2.201 1.00 0.00 H new ATOM 183 N LYS A 13 -19.141 8.689 -3.685 1.00 0.00 N ATOM 184 CA LYS A 13 -20.543 8.463 -3.513 1.00 0.00 C ATOM 185 C LYS A 13 -21.211 7.907 -4.724 1.00 0.00 C ATOM 186 O LYS A 13 -21.905 6.897 -4.825 1.00 0.00 O ATOM 187 CB LYS A 13 -21.286 9.725 -3.044 1.00 0.00 C ATOM 188 CG LYS A 13 -22.764 9.471 -2.741 1.00 0.00 C ATOM 189 CD LYS A 13 -23.232 10.096 -1.426 1.00 0.00 C ATOM 190 CE LYS A 13 -23.274 11.619 -1.565 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.234 12.249 -0.631 1.00 0.00 N ATOM 0 H LYS A 13 -18.878 9.672 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.604 7.707 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.799 10.115 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.205 10.494 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.368 9.867 -3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.940 8.396 -2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.220 9.718 -1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.558 9.813 -0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -22.278 12.024 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.544 11.880 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.224 13.280 -0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.190 11.885 -0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -23.964 12.025 0.348 1.00 0.00 H new ATOM 205 N GLU A 14 -20.965 8.495 -5.908 1.00 0.00 N ATOM 206 CA GLU A 14 -21.363 8.066 -7.213 1.00 0.00 C ATOM 207 C GLU A 14 -20.866 6.692 -7.501 1.00 0.00 C ATOM 208 O GLU A 14 -21.565 5.840 -8.047 1.00 0.00 O ATOM 209 CB GLU A 14 -20.934 9.053 -8.312 1.00 0.00 C ATOM 210 CG GLU A 14 -22.002 10.147 -8.370 1.00 0.00 C ATOM 211 CD GLU A 14 -23.192 9.640 -9.173 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.915 9.385 -10.375 1.00 0.00 O ATOM 213 OE2 GLU A 14 -24.347 9.500 -8.691 1.00 0.00 O ATOM 0 H GLU A 14 -20.431 9.363 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.453 8.043 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.956 9.480 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.848 8.547 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -22.317 10.419 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.594 11.047 -8.830 1.00 0.00 H new ATOM 220 N ALA A 15 -19.618 6.381 -7.105 1.00 0.00 N ATOM 221 CA ALA A 15 -19.108 5.063 -7.319 1.00 0.00 C ATOM 222 C ALA A 15 -19.687 3.989 -6.464 1.00 0.00 C ATOM 223 O ALA A 15 -19.719 2.830 -6.875 1.00 0.00 O ATOM 224 CB ALA A 15 -17.588 5.091 -7.084 1.00 0.00 C ATOM 0 H ALA A 15 -18.975 7.026 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.391 4.807 -8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.177 4.094 -7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.125 5.789 -7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.384 5.410 -6.062 1.00 0.00 H new ATOM 230 N PHE A 16 -20.125 4.306 -5.232 1.00 0.00 N ATOM 231 CA PHE A 16 -20.884 3.410 -4.416 1.00 0.00 C ATOM 232 C PHE A 16 -22.123 2.891 -5.060 1.00 0.00 C ATOM 233 O PHE A 16 -22.358 1.689 -4.955 1.00 0.00 O ATOM 234 CB PHE A 16 -21.102 4.266 -3.157 1.00 0.00 C ATOM 235 CG PHE A 16 -21.596 3.610 -1.914 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.873 3.103 -1.953 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.793 3.439 -0.811 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.366 2.475 -0.834 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.331 2.760 0.257 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.612 2.260 0.295 1.00 0.00 C ATOM 0 H PHE A 16 -19.947 5.209 -4.792 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.383 2.465 -4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.154 4.749 -2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.807 5.056 -3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.476 3.196 -2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.783 3.821 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.391 2.135 -0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.706 2.609 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.999 1.734 1.155 1.00 0.00 H new ATOM 250 N SER A 17 -22.914 3.815 -5.634 1.00 0.00 N ATOM 251 CA SER A 17 -24.161 3.547 -6.282 1.00 0.00 C ATOM 252 C SER A 17 -24.122 2.661 -7.479 1.00 0.00 C ATOM 253 O SER A 17 -25.091 2.032 -7.902 1.00 0.00 O ATOM 254 CB SER A 17 -24.871 4.820 -6.775 1.00 0.00 C ATOM 255 OG SER A 17 -24.783 5.817 -5.768 1.00 0.00 O ATOM 0 H SER A 17 -22.669 4.805 -5.646 1.00 0.00 H new ATOM 0 HA SER A 17 -24.687 3.041 -5.473 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.411 5.175 -7.697 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.915 4.605 -7.002 1.00 0.00 H new ATOM 0 HG SER A 17 -25.232 6.632 -6.075 1.00 0.00 H new ATOM 261 N LEU A 18 -22.923 2.572 -8.082 1.00 0.00 N ATOM 262 CA LEU A 18 -22.569 1.679 -9.142 1.00 0.00 C ATOM 263 C LEU A 18 -22.426 0.269 -8.684 1.00 0.00 C ATOM 264 O LEU A 18 -22.902 -0.644 -9.357 1.00 0.00 O ATOM 265 CB LEU A 18 -21.247 2.125 -9.789 1.00 0.00 C ATOM 266 CG LEU A 18 -21.291 3.319 -10.758 1.00 0.00 C ATOM 267 CD1 LEU A 18 -19.883 3.690 -11.252 1.00 0.00 C ATOM 268 CD2 LEU A 18 -22.101 3.009 -12.028 1.00 0.00 C ATOM 0 H LEU A 18 -22.143 3.170 -7.807 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.384 1.716 -9.865 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.548 2.368 -8.989 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.832 1.272 -10.327 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.750 4.128 -10.190 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.948 4.537 -11.935 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -19.257 3.958 -10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.444 2.838 -11.771 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -22.103 3.882 -12.680 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -21.649 2.166 -12.551 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -23.126 2.759 -11.754 1.00 0.00 H new ATOM 280 N PHE A 19 -21.977 0.072 -7.431 1.00 0.00 N ATOM 281 CA PHE A 19 -21.670 -1.255 -6.996 1.00 0.00 C ATOM 282 C PHE A 19 -22.814 -1.825 -6.229 1.00 0.00 C ATOM 283 O PHE A 19 -22.993 -3.042 -6.241 1.00 0.00 O ATOM 284 CB PHE A 19 -20.371 -1.434 -6.192 1.00 0.00 C ATOM 285 CG PHE A 19 -19.225 -1.352 -7.140 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.915 -2.380 -7.999 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.579 -0.151 -7.319 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.962 -2.190 -8.972 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.584 0.031 -8.251 1.00 0.00 C ATOM 290 CZ PHE A 19 -17.270 -1.008 -9.094 1.00 0.00 C ATOM 0 H PHE A 19 -21.830 0.806 -6.738 1.00 0.00 H new ATOM 0 HA PHE A 19 -21.496 -1.799 -7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.288 -0.662 -5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.371 -2.395 -5.677 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.417 -3.332 -7.910 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.866 0.686 -6.700 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.751 -2.994 -9.662 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -17.059 0.973 -8.319 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.495 -0.898 -9.838 1.00 0.00 H new ATOM 300 N ASP A 20 -23.615 -1.010 -5.521 1.00 0.00 N ATOM 301 CA ASP A 20 -24.826 -1.391 -4.862 1.00 0.00 C ATOM 302 C ASP A 20 -25.832 -1.733 -5.906 1.00 0.00 C ATOM 303 O ASP A 20 -26.187 -0.952 -6.788 1.00 0.00 O ATOM 304 CB ASP A 20 -25.440 -0.369 -3.890 1.00 0.00 C ATOM 305 CG ASP A 20 -26.714 -0.812 -3.185 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.662 -1.882 -2.522 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.849 -0.292 -3.358 1.00 0.00 O ATOM 0 H ASP A 20 -23.402 -0.020 -5.401 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.552 -2.233 -4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.695 -0.122 -3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.651 0.547 -4.441 1.00 0.00 H new ATOM 312 N LYS A 21 -26.298 -2.988 -5.783 1.00 0.00 N ATOM 313 CA LYS A 21 -27.182 -3.643 -6.697 1.00 0.00 C ATOM 314 C LYS A 21 -28.609 -3.659 -6.269 1.00 0.00 C ATOM 315 O LYS A 21 -29.543 -3.378 -7.018 1.00 0.00 O ATOM 316 CB LYS A 21 -26.695 -5.092 -6.866 1.00 0.00 C ATOM 317 CG LYS A 21 -27.480 -6.021 -7.795 1.00 0.00 C ATOM 318 CD LYS A 21 -26.897 -7.419 -7.582 1.00 0.00 C ATOM 319 CE LYS A 21 -27.355 -8.479 -8.585 1.00 0.00 C ATOM 320 NZ LYS A 21 -28.787 -8.829 -8.449 1.00 0.00 N ATOM 0 H LYS A 21 -26.041 -3.583 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 21 -27.156 -3.078 -7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.666 -5.057 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.673 -5.552 -5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -28.544 -6.002 -7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -27.379 -5.710 -8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.810 -7.351 -7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.159 -7.755 -6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -27.170 -8.117 -9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.754 -9.378 -8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -29.036 -9.551 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -28.964 -9.202 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -29.368 -7.980 -8.602 1.00 0.00 H new ATOM 334 N ASP A 22 -28.842 -4.123 -5.028 1.00 0.00 N ATOM 335 CA ASP A 22 -30.135 -4.316 -4.449 1.00 0.00 C ATOM 336 C ASP A 22 -30.951 -3.083 -4.264 1.00 0.00 C ATOM 337 O ASP A 22 -32.173 -3.215 -4.304 1.00 0.00 O ATOM 338 CB ASP A 22 -30.219 -5.238 -3.221 1.00 0.00 C ATOM 339 CG ASP A 22 -29.001 -6.120 -2.990 1.00 0.00 C ATOM 340 OD1 ASP A 22 -27.844 -5.623 -3.041 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.226 -7.344 -2.791 1.00 0.00 O ATOM 0 H ASP A 22 -28.085 -4.378 -4.394 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.605 -4.881 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.376 -4.623 -2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.096 -5.877 -3.325 1.00 0.00 H new ATOM 346 N GLY A 23 -30.390 -1.886 -4.016 1.00 0.00 N ATOM 347 CA GLY A 23 -31.111 -0.675 -3.775 1.00 0.00 C ATOM 348 C GLY A 23 -31.345 -0.446 -2.322 1.00 0.00 C ATOM 349 O GLY A 23 -32.038 0.472 -1.888 1.00 0.00 O ATOM 0 H GLY A 23 -29.379 -1.757 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -30.556 0.166 -4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -32.068 -0.713 -4.295 1.00 0.00 H new ATOM 353 N ASP A 24 -30.712 -1.260 -1.458 1.00 0.00 N ATOM 354 CA ASP A 24 -30.565 -0.951 -0.069 1.00 0.00 C ATOM 355 C ASP A 24 -29.633 0.195 0.124 1.00 0.00 C ATOM 356 O ASP A 24 -29.846 1.002 1.028 1.00 0.00 O ATOM 357 CB ASP A 24 -30.211 -2.248 0.678 1.00 0.00 C ATOM 358 CG ASP A 24 -28.878 -2.793 0.187 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.820 -3.093 -1.035 1.00 0.00 O ATOM 360 OD2 ASP A 24 -27.887 -2.881 0.961 1.00 0.00 O ATOM 0 H ASP A 24 -30.294 -2.150 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.496 -0.593 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.161 -2.056 1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -30.994 -2.990 0.523 1.00 0.00 H new ATOM 365 N GLY A 25 -28.512 0.330 -0.607 1.00 0.00 N ATOM 366 CA GLY A 25 -27.567 1.373 -0.355 1.00 0.00 C ATOM 367 C GLY A 25 -26.529 0.865 0.586 1.00 0.00 C ATOM 368 O GLY A 25 -25.987 1.638 1.374 1.00 0.00 O ATOM 0 H GLY A 25 -28.259 -0.288 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.105 1.697 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.069 2.242 0.070 1.00 0.00 H new ATOM 372 N THR A 26 -26.222 -0.445 0.618 1.00 0.00 N ATOM 373 CA THR A 26 -25.191 -1.001 1.438 1.00 0.00 C ATOM 374 C THR A 26 -24.344 -1.929 0.637 1.00 0.00 C ATOM 375 O THR A 26 -24.824 -2.652 -0.234 1.00 0.00 O ATOM 376 CB THR A 26 -25.518 -1.520 2.807 1.00 0.00 C ATOM 377 OG1 THR A 26 -25.969 -2.866 2.839 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.580 -0.700 3.559 1.00 0.00 C ATOM 0 H THR A 26 -26.709 -1.141 0.053 1.00 0.00 H new ATOM 0 HA THR A 26 -24.627 -0.118 1.740 1.00 0.00 H new ATOM 0 HB THR A 26 -24.549 -1.436 3.299 1.00 0.00 H new ATOM 0 HG1 THR A 26 -26.826 -2.935 2.369 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.756 -1.144 4.539 1.00 0.00 H new ATOM 0 HG22 THR A 26 -26.228 0.324 3.683 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.509 -0.698 2.989 1.00 0.00 H new ATOM 386 N ILE A 27 -23.030 -2.046 0.899 1.00 0.00 N ATOM 387 CA ILE A 27 -22.183 -2.863 0.086 1.00 0.00 C ATOM 388 C ILE A 27 -22.029 -4.086 0.923 1.00 0.00 C ATOM 389 O ILE A 27 -21.515 -4.051 2.040 1.00 0.00 O ATOM 390 CB ILE A 27 -20.820 -2.357 -0.284 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.734 -0.828 -0.425 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.394 -3.025 -1.602 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.514 -0.278 -1.161 1.00 0.00 C ATOM 0 H ILE A 27 -22.555 -1.577 1.670 1.00 0.00 H new ATOM 0 HA ILE A 27 -22.649 -2.960 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.149 -2.617 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.629 -0.482 -0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -20.755 -0.392 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.404 -2.669 -1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.366 -4.107 -1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.109 -2.774 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.569 0.810 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.607 -0.580 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.494 -0.672 -2.177 1.00 0.00 H new ATOM 405 N THR A 28 -22.374 -5.287 0.426 1.00 0.00 N ATOM 406 CA THR A 28 -22.327 -6.587 1.020 1.00 0.00 C ATOM 407 C THR A 28 -21.023 -7.190 0.623 1.00 0.00 C ATOM 408 O THR A 28 -20.285 -6.626 -0.183 1.00 0.00 O ATOM 409 CB THR A 28 -23.374 -7.562 0.570 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.546 -7.468 -0.837 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.653 -7.073 1.270 1.00 0.00 C ATOM 0 H THR A 28 -22.736 -5.349 -0.526 1.00 0.00 H new ATOM 0 HA THR A 28 -22.483 -6.429 2.087 1.00 0.00 H new ATOM 0 HB THR A 28 -23.120 -8.595 0.805 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.084 -6.676 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.485 -7.725 1.004 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.507 -7.093 2.350 1.00 0.00 H new ATOM 0 HG23 THR A 28 -24.874 -6.054 0.953 1.00 0.00 H new ATOM 419 N THR A 29 -20.692 -8.406 1.094 1.00 0.00 N ATOM 420 CA THR A 29 -19.627 -9.206 0.575 1.00 0.00 C ATOM 421 C THR A 29 -19.586 -9.465 -0.892 1.00 0.00 C ATOM 422 O THR A 29 -18.535 -9.359 -1.522 1.00 0.00 O ATOM 423 CB THR A 29 -19.672 -10.546 1.248 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.923 -11.207 1.130 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.340 -10.606 2.748 1.00 0.00 C ATOM 0 H THR A 29 -21.187 -8.849 1.868 1.00 0.00 H new ATOM 0 HA THR A 29 -18.741 -8.605 0.780 1.00 0.00 H new ATOM 0 HB THR A 29 -18.873 -11.035 0.690 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.889 -12.060 1.611 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.413 -11.636 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.327 -10.239 2.911 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.044 -9.985 3.302 1.00 0.00 H new ATOM 433 N LYS A 30 -20.744 -9.758 -1.510 1.00 0.00 N ATOM 434 CA LYS A 30 -21.144 -9.956 -2.868 1.00 0.00 C ATOM 435 C LYS A 30 -20.827 -8.779 -3.726 1.00 0.00 C ATOM 436 O LYS A 30 -20.256 -8.782 -4.815 1.00 0.00 O ATOM 437 CB LYS A 30 -22.651 -10.263 -2.913 1.00 0.00 C ATOM 438 CG LYS A 30 -23.135 -11.366 -1.970 1.00 0.00 C ATOM 439 CD LYS A 30 -22.325 -12.661 -2.044 1.00 0.00 C ATOM 440 CE LYS A 30 -22.918 -13.795 -1.205 1.00 0.00 C ATOM 441 NZ LYS A 30 -22.888 -13.427 0.228 1.00 0.00 N ATOM 0 H LYS A 30 -21.566 -9.879 -0.919 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.580 -10.799 -3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.196 -9.348 -2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.915 -10.541 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.105 -10.991 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.177 -11.590 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -22.261 -12.983 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -21.307 -12.464 -1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -23.943 -13.993 -1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -22.353 -14.713 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -22.433 -14.187 0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -22.350 -12.545 0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -23.860 -13.290 0.572 1.00 0.00 H new ATOM 455 N GLU A 31 -21.163 -7.559 -3.270 1.00 0.00 N ATOM 456 CA GLU A 31 -21.055 -6.328 -3.990 1.00 0.00 C ATOM 457 C GLU A 31 -19.703 -5.707 -3.899 1.00 0.00 C ATOM 458 O GLU A 31 -19.290 -4.967 -4.790 1.00 0.00 O ATOM 459 CB GLU A 31 -22.187 -5.413 -3.494 1.00 0.00 C ATOM 460 CG GLU A 31 -23.575 -5.768 -4.030 1.00 0.00 C ATOM 461 CD GLU A 31 -24.520 -5.050 -3.077 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.493 -5.171 -1.823 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.483 -4.411 -3.580 1.00 0.00 O ATOM 0 H GLU A 31 -21.537 -7.425 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.170 -6.510 -5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.213 -5.447 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.955 -4.386 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.707 -5.429 -5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.743 -6.845 -4.026 1.00 0.00 H new ATOM 470 N LEU A 32 -19.022 -5.904 -2.756 1.00 0.00 N ATOM 471 CA LEU A 32 -17.614 -5.805 -2.528 1.00 0.00 C ATOM 472 C LEU A 32 -16.746 -6.692 -3.353 1.00 0.00 C ATOM 473 O LEU A 32 -15.806 -6.224 -3.993 1.00 0.00 O ATOM 474 CB LEU A 32 -17.138 -5.992 -1.078 1.00 0.00 C ATOM 475 CG LEU A 32 -17.528 -4.980 0.013 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.940 -5.459 1.351 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.807 -3.645 -0.238 1.00 0.00 C ATOM 0 H LEU A 32 -19.515 -6.160 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.491 -4.766 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.489 -6.970 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.049 -6.035 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.613 -4.881 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.206 -4.754 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.342 -6.443 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.855 -5.521 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.085 -2.930 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.729 -3.804 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.095 -3.254 -1.214 1.00 0.00 H new ATOM 489 N GLY A 33 -17.146 -7.970 -3.482 1.00 0.00 N ATOM 490 CA GLY A 33 -16.859 -8.877 -4.549 1.00 0.00 C ATOM 491 C GLY A 33 -16.716 -8.249 -5.892 1.00 0.00 C ATOM 492 O GLY A 33 -15.675 -8.216 -6.547 1.00 0.00 O ATOM 0 H GLY A 33 -17.727 -8.408 -2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.937 -9.409 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.654 -9.621 -4.596 1.00 0.00 H new ATOM 496 N THR A 34 -17.789 -7.551 -6.305 1.00 0.00 N ATOM 497 CA THR A 34 -17.926 -6.893 -7.568 1.00 0.00 C ATOM 498 C THR A 34 -17.051 -5.694 -7.698 1.00 0.00 C ATOM 499 O THR A 34 -16.617 -5.473 -8.827 1.00 0.00 O ATOM 500 CB THR A 34 -19.317 -6.360 -7.742 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.238 -7.438 -7.677 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.648 -5.927 -9.181 1.00 0.00 C ATOM 0 H THR A 34 -18.615 -7.439 -5.717 1.00 0.00 H new ATOM 0 HA THR A 34 -17.661 -7.652 -8.304 1.00 0.00 H new ATOM 0 HB THR A 34 -19.378 -5.562 -7.002 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.276 -7.781 -6.760 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.671 -5.554 -9.222 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.962 -5.139 -9.491 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.546 -6.781 -9.851 1.00 0.00 H new ATOM 510 N VAL A 35 -16.691 -4.938 -6.645 1.00 0.00 N ATOM 511 CA VAL A 35 -15.617 -3.994 -6.642 1.00 0.00 C ATOM 512 C VAL A 35 -14.359 -4.694 -7.026 1.00 0.00 C ATOM 513 O VAL A 35 -13.686 -4.382 -8.007 1.00 0.00 O ATOM 514 CB VAL A 35 -15.385 -3.215 -5.381 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.186 -2.252 -5.413 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.598 -2.328 -5.054 1.00 0.00 C ATOM 0 H VAL A 35 -17.175 -4.989 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.925 -3.236 -7.363 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.198 -3.994 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.106 -1.739 -4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.272 -2.815 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.329 -1.519 -6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.406 -1.773 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.768 -1.628 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.481 -2.953 -4.922 1.00 0.00 H new ATOM 526 N MET A 36 -13.914 -5.679 -6.225 1.00 0.00 N ATOM 527 CA MET A 36 -12.650 -6.328 -6.389 1.00 0.00 C ATOM 528 C MET A 36 -12.378 -6.929 -7.725 1.00 0.00 C ATOM 529 O MET A 36 -11.207 -6.943 -8.101 1.00 0.00 O ATOM 530 CB MET A 36 -12.427 -7.366 -5.277 1.00 0.00 C ATOM 531 CG MET A 36 -12.541 -6.900 -3.824 1.00 0.00 C ATOM 532 SD MET A 36 -12.319 -5.162 -3.337 1.00 0.00 S ATOM 533 CE MET A 36 -13.069 -5.351 -1.694 1.00 0.00 C ATOM 0 H MET A 36 -14.453 -6.036 -5.436 1.00 0.00 H new ATOM 0 HA MET A 36 -11.927 -5.516 -6.313 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.144 -8.173 -5.426 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.433 -7.793 -5.413 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.531 -7.197 -3.478 1.00 0.00 H new ATOM 0 HG3 MET A 36 -11.816 -7.479 -3.253 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.080 -4.943 -1.706 1.00 0.00 H new ATOM 0 HE2 MET A 36 -13.108 -6.408 -1.431 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.470 -4.816 -0.957 1.00 0.00 H new ATOM 543 N ARG A 37 -13.394 -7.394 -8.474 1.00 0.00 N ATOM 544 CA ARG A 37 -13.396 -7.963 -9.786 1.00 0.00 C ATOM 545 C ARG A 37 -13.359 -6.924 -10.853 1.00 0.00 C ATOM 546 O ARG A 37 -12.763 -7.110 -11.913 1.00 0.00 O ATOM 547 CB ARG A 37 -14.694 -8.782 -9.884 1.00 0.00 C ATOM 548 CG ARG A 37 -14.714 -10.083 -9.079 1.00 0.00 C ATOM 549 CD ARG A 37 -16.087 -10.626 -8.677 1.00 0.00 C ATOM 550 NE ARG A 37 -16.781 -11.042 -9.929 1.00 0.00 N ATOM 551 CZ ARG A 37 -18.139 -11.131 -10.028 1.00 0.00 C ATOM 552 NH1 ARG A 37 -18.888 -11.278 -8.896 1.00 0.00 N ATOM 553 NH2 ARG A 37 -18.802 -11.065 -11.219 1.00 0.00 N ATOM 0 H ARG A 37 -14.343 -7.364 -8.102 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.507 -8.575 -9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.523 -8.157 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.874 -9.021 -10.932 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.203 -10.850 -9.661 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.131 -9.929 -8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.982 -11.471 -7.996 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.664 -9.864 -8.153 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.216 -11.270 -10.747 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -18.432 -11.321 -7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -19.904 -11.345 -8.962 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.280 -10.944 -12.087 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -19.819 -11.137 -11.241 1.00 0.00 H new ATOM 567 N SER A 38 -13.876 -5.700 -10.646 1.00 0.00 N ATOM 568 CA SER A 38 -13.745 -4.649 -11.607 1.00 0.00 C ATOM 569 C SER A 38 -12.363 -4.097 -11.682 1.00 0.00 C ATOM 570 O SER A 38 -12.047 -3.333 -12.593 1.00 0.00 O ATOM 571 CB SER A 38 -14.815 -3.578 -11.337 1.00 0.00 C ATOM 572 OG SER A 38 -14.990 -2.809 -12.519 1.00 0.00 O ATOM 0 H SER A 38 -14.389 -5.437 -9.805 1.00 0.00 H new ATOM 0 HA SER A 38 -13.920 -5.063 -12.600 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.755 -4.047 -11.047 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.510 -2.937 -10.510 1.00 0.00 H new ATOM 0 HG SER A 38 -14.142 -2.763 -13.008 1.00 0.00 H new ATOM 578 N LEU A 39 -11.511 -4.471 -10.711 1.00 0.00 N ATOM 579 CA LEU A 39 -10.108 -4.247 -10.546 1.00 0.00 C ATOM 580 C LEU A 39 -9.353 -5.529 -10.622 1.00 0.00 C ATOM 581 O LEU A 39 -8.225 -5.716 -10.167 1.00 0.00 O ATOM 582 CB LEU A 39 -9.812 -3.689 -9.144 1.00 0.00 C ATOM 583 CG LEU A 39 -10.576 -2.375 -8.908 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.294 -1.901 -7.472 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.243 -1.286 -9.942 1.00 0.00 C ATOM 0 H LEU A 39 -11.868 -5.013 -9.924 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.810 -3.555 -11.334 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.096 -4.421 -8.388 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.741 -3.517 -9.034 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.641 -2.567 -9.036 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.828 -0.969 -7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.630 -2.660 -6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.224 -1.738 -7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.815 -0.385 -9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.178 -1.059 -9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.500 -1.641 -10.940 1.00 0.00 H new ATOM 597 N GLY A 40 -9.935 -6.586 -11.216 1.00 0.00 N ATOM 598 CA GLY A 40 -9.443 -7.858 -11.647 1.00 0.00 C ATOM 599 C GLY A 40 -9.072 -8.916 -10.666 1.00 0.00 C ATOM 600 O GLY A 40 -8.590 -9.964 -11.094 1.00 0.00 O ATOM 0 H GLY A 40 -10.931 -6.528 -11.428 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.200 -8.285 -12.305 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.561 -7.667 -12.258 1.00 0.00 H new ATOM 604 N GLN A 41 -9.415 -8.588 -9.407 1.00 0.00 N ATOM 605 CA GLN A 41 -9.157 -9.434 -8.284 1.00 0.00 C ATOM 606 C GLN A 41 -10.290 -10.380 -8.077 1.00 0.00 C ATOM 607 O GLN A 41 -11.356 -10.302 -8.685 1.00 0.00 O ATOM 608 CB GLN A 41 -8.789 -8.712 -6.976 1.00 0.00 C ATOM 609 CG GLN A 41 -7.739 -7.603 -7.063 1.00 0.00 C ATOM 610 CD GLN A 41 -7.722 -6.801 -5.769 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.536 -5.894 -5.604 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.699 -7.075 -4.916 1.00 0.00 N ATOM 0 H GLN A 41 -9.882 -7.714 -9.164 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.253 -9.984 -8.546 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.700 -8.283 -6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.434 -9.459 -6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.755 -8.035 -7.246 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.960 -6.947 -7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.060 -7.845 -5.116 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.570 -6.511 -4.076 1.00 0.00 H new ATOM 621 N ASN A 42 -10.011 -11.372 -7.213 1.00 0.00 N ATOM 622 CA ASN A 42 -10.882 -12.401 -6.737 1.00 0.00 C ATOM 623 C ASN A 42 -10.467 -13.009 -5.441 1.00 0.00 C ATOM 624 O ASN A 42 -10.200 -14.210 -5.409 1.00 0.00 O ATOM 625 CB ASN A 42 -11.093 -13.470 -7.823 1.00 0.00 C ATOM 626 CG ASN A 42 -12.507 -13.996 -7.625 1.00 0.00 C ATOM 627 OD1 ASN A 42 -12.844 -14.516 -6.562 1.00 0.00 O ATOM 628 ND2 ASN A 42 -13.429 -13.767 -8.598 1.00 0.00 N ATOM 0 H ASN A 42 -9.079 -11.460 -6.808 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.834 -11.915 -6.522 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.971 -13.044 -8.819 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.361 -14.272 -7.728 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.404 -14.027 -8.448 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.146 -13.336 -9.478 1.00 0.00 H new ATOM 635 N PRO A 43 -10.592 -12.276 -4.375 1.00 0.00 N ATOM 636 CA PRO A 43 -10.577 -12.845 -3.059 1.00 0.00 C ATOM 637 C PRO A 43 -11.652 -13.797 -2.663 1.00 0.00 C ATOM 638 O PRO A 43 -12.707 -13.919 -3.283 1.00 0.00 O ATOM 639 CB PRO A 43 -10.729 -11.698 -2.062 1.00 0.00 C ATOM 640 CG PRO A 43 -11.212 -10.534 -2.943 1.00 0.00 C ATOM 641 CD PRO A 43 -10.773 -10.832 -4.385 1.00 0.00 C ATOM 0 HA PRO A 43 -9.647 -13.414 -3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.449 -11.937 -1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.786 -11.465 -1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.296 -10.434 -2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.786 -9.591 -2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.527 -10.524 -5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.851 -10.311 -4.643 1.00 0.00 H new ATOM 649 N THR A 44 -11.439 -14.419 -1.490 1.00 0.00 N ATOM 650 CA THR A 44 -12.440 -15.193 -0.823 1.00 0.00 C ATOM 651 C THR A 44 -13.324 -14.425 0.099 1.00 0.00 C ATOM 652 O THR A 44 -13.021 -13.291 0.466 1.00 0.00 O ATOM 653 CB THR A 44 -11.934 -16.338 0.002 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.129 -15.957 1.108 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.143 -17.265 -0.936 1.00 0.00 C ATOM 0 H THR A 44 -10.549 -14.383 -0.993 1.00 0.00 H new ATOM 0 HA THR A 44 -12.989 -15.555 -1.692 1.00 0.00 H new ATOM 0 HB THR A 44 -12.797 -16.836 0.444 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.200 -15.848 0.815 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.758 -18.113 -0.370 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.798 -17.626 -1.729 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.311 -16.714 -1.375 1.00 0.00 H new ATOM 663 N GLU A 45 -14.493 -15.022 0.395 1.00 0.00 N ATOM 664 CA GLU A 45 -15.473 -14.419 1.244 1.00 0.00 C ATOM 665 C GLU A 45 -14.953 -14.179 2.620 1.00 0.00 C ATOM 666 O GLU A 45 -15.133 -13.129 3.235 1.00 0.00 O ATOM 667 CB GLU A 45 -16.849 -15.094 1.121 1.00 0.00 C ATOM 668 CG GLU A 45 -17.970 -14.182 1.627 1.00 0.00 C ATOM 669 CD GLU A 45 -19.378 -14.465 1.124 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.681 -15.481 0.444 1.00 0.00 O ATOM 671 OE2 GLU A 45 -20.283 -13.673 1.501 1.00 0.00 O ATOM 0 H GLU A 45 -14.762 -15.939 0.039 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.674 -13.410 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.035 -15.356 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.851 -16.024 1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.983 -14.235 2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.716 -13.156 1.361 1.00 0.00 H new ATOM 678 N ALA A 46 -14.205 -15.128 3.211 1.00 0.00 N ATOM 679 CA ALA A 46 -13.627 -14.925 4.503 1.00 0.00 C ATOM 680 C ALA A 46 -12.629 -13.819 4.525 1.00 0.00 C ATOM 681 O ALA A 46 -12.505 -13.056 5.482 1.00 0.00 O ATOM 682 CB ALA A 46 -12.936 -16.226 4.944 1.00 0.00 C ATOM 0 H ALA A 46 -14.000 -16.036 2.794 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.433 -14.648 5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.490 -16.086 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.670 -17.031 4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.157 -16.485 4.227 1.00 0.00 H new ATOM 688 N GLU A 47 -11.999 -13.539 3.370 1.00 0.00 N ATOM 689 CA GLU A 47 -11.177 -12.372 3.289 1.00 0.00 C ATOM 690 C GLU A 47 -11.986 -11.121 3.274 1.00 0.00 C ATOM 691 O GLU A 47 -11.708 -10.179 4.015 1.00 0.00 O ATOM 692 CB GLU A 47 -10.276 -12.530 2.053 1.00 0.00 C ATOM 693 CG GLU A 47 -9.267 -13.655 2.290 1.00 0.00 C ATOM 694 CD GLU A 47 -8.421 -14.064 1.093 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.006 -14.702 0.177 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.192 -13.792 1.155 1.00 0.00 O ATOM 0 H GLU A 47 -12.054 -14.099 2.519 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.553 -12.279 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.883 -12.752 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.752 -11.596 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.597 -13.350 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.809 -14.533 2.642 1.00 0.00 H new ATOM 703 N LEU A 48 -13.080 -11.094 2.491 1.00 0.00 N ATOM 704 CA LEU A 48 -13.940 -9.955 2.389 1.00 0.00 C ATOM 705 C LEU A 48 -14.621 -9.657 3.680 1.00 0.00 C ATOM 706 O LEU A 48 -14.685 -8.540 4.190 1.00 0.00 O ATOM 707 CB LEU A 48 -15.049 -10.153 1.342 1.00 0.00 C ATOM 708 CG LEU A 48 -14.619 -10.299 -0.127 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.793 -10.790 -0.990 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.936 -9.077 -0.763 1.00 0.00 C ATOM 0 H LEU A 48 -13.374 -11.883 1.915 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.286 -9.133 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.616 -11.042 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.732 -9.306 1.410 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.830 -11.050 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.468 -10.887 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.133 -11.759 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.612 -10.073 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.680 -9.301 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.615 -8.225 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.029 -8.838 -0.208 1.00 0.00 H new ATOM 722 N GLN A 49 -15.141 -10.628 4.452 1.00 0.00 N ATOM 723 CA GLN A 49 -15.702 -10.511 5.763 1.00 0.00 C ATOM 724 C GLN A 49 -14.784 -9.854 6.735 1.00 0.00 C ATOM 725 O GLN A 49 -15.307 -9.124 7.575 1.00 0.00 O ATOM 726 CB GLN A 49 -16.258 -11.819 6.352 1.00 0.00 C ATOM 727 CG GLN A 49 -17.419 -12.355 5.512 1.00 0.00 C ATOM 728 CD GLN A 49 -17.785 -13.783 5.890 1.00 0.00 C ATOM 729 OE1 GLN A 49 -16.964 -14.671 5.667 1.00 0.00 O ATOM 730 NE2 GLN A 49 -18.948 -14.009 6.557 1.00 0.00 N ATOM 0 H GLN A 49 -15.170 -11.593 4.122 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.561 -9.859 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.465 -12.565 6.399 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.595 -11.646 7.374 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.289 -11.711 5.643 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.150 -12.317 4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.600 -13.242 6.719 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.168 -14.946 6.895 1.00 0.00 H new ATOM 739 N ASP A 50 -13.455 -10.043 6.652 1.00 0.00 N ATOM 740 CA ASP A 50 -12.483 -9.585 7.596 1.00 0.00 C ATOM 741 C ASP A 50 -12.336 -8.112 7.420 1.00 0.00 C ATOM 742 O ASP A 50 -12.097 -7.408 8.400 1.00 0.00 O ATOM 743 CB ASP A 50 -11.150 -10.284 7.281 1.00 0.00 C ATOM 744 CG ASP A 50 -10.069 -9.976 8.307 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.186 -10.306 9.517 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.073 -9.340 7.870 1.00 0.00 O ATOM 0 H ASP A 50 -13.032 -10.549 5.874 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.781 -9.807 8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.310 -11.361 7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.807 -9.975 6.294 1.00 0.00 H new ATOM 751 N MET A 51 -12.507 -7.563 6.205 1.00 0.00 N ATOM 752 CA MET A 51 -12.581 -6.190 5.811 1.00 0.00 C ATOM 753 C MET A 51 -13.782 -5.555 6.423 1.00 0.00 C ATOM 754 O MET A 51 -13.657 -4.432 6.909 1.00 0.00 O ATOM 755 CB MET A 51 -12.591 -5.893 4.302 1.00 0.00 C ATOM 756 CG MET A 51 -11.344 -6.537 3.692 1.00 0.00 C ATOM 757 SD MET A 51 -11.394 -5.806 2.028 1.00 0.00 S ATOM 758 CE MET A 51 -10.255 -6.847 1.072 1.00 0.00 C ATOM 0 H MET A 51 -12.606 -8.169 5.391 1.00 0.00 H new ATOM 0 HA MET A 51 -11.643 -5.770 6.175 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.493 -6.293 3.840 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.592 -4.818 4.124 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.434 -6.279 4.234 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.405 -7.625 3.671 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.211 -6.489 0.043 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.260 -6.800 1.515 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.609 -7.878 1.082 1.00 0.00 H new ATOM 768 N ILE A 52 -14.952 -6.215 6.361 1.00 0.00 N ATOM 769 CA ILE A 52 -16.194 -5.797 6.934 1.00 0.00 C ATOM 770 C ILE A 52 -16.241 -5.639 8.415 1.00 0.00 C ATOM 771 O ILE A 52 -16.552 -4.616 9.023 1.00 0.00 O ATOM 772 CB ILE A 52 -17.374 -6.601 6.476 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.379 -6.616 4.938 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.773 -6.221 6.989 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.411 -7.545 4.299 1.00 0.00 C ATOM 0 H ILE A 52 -15.035 -7.107 5.874 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.264 -4.786 6.531 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.215 -7.578 6.932 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.557 -5.601 4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.388 -6.907 4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.513 -6.899 6.564 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.795 -6.296 8.076 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.004 -5.198 6.691 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.334 -7.483 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.224 -8.570 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.412 -7.245 4.609 1.00 0.00 H new ATOM 787 N ASN A 53 -15.830 -6.719 9.104 1.00 0.00 N ATOM 788 CA ASN A 53 -15.992 -6.971 10.503 1.00 0.00 C ATOM 789 C ASN A 53 -15.081 -6.150 11.350 1.00 0.00 C ATOM 790 O ASN A 53 -15.285 -5.730 12.488 1.00 0.00 O ATOM 791 CB ASN A 53 -15.545 -8.390 10.892 1.00 0.00 C ATOM 792 CG ASN A 53 -16.569 -9.457 10.530 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.749 -9.135 10.405 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.116 -10.736 10.449 1.00 0.00 N ATOM 0 H ASN A 53 -15.341 -7.483 8.638 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.050 -6.767 10.666 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.601 -8.617 10.395 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.357 -8.424 11.965 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.770 -11.499 10.275 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.122 -10.933 10.563 1.00 0.00 H new ATOM 801 N GLU A 54 -14.045 -5.620 10.677 1.00 0.00 N ATOM 802 CA GLU A 54 -13.170 -4.600 11.166 1.00 0.00 C ATOM 803 C GLU A 54 -13.824 -3.291 11.443 1.00 0.00 C ATOM 804 O GLU A 54 -13.849 -2.850 12.592 1.00 0.00 O ATOM 805 CB GLU A 54 -12.015 -4.401 10.169 1.00 0.00 C ATOM 806 CG GLU A 54 -10.701 -4.039 10.864 1.00 0.00 C ATOM 807 CD GLU A 54 -9.490 -3.695 10.010 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.420 -3.786 8.755 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.493 -3.237 10.631 1.00 0.00 O ATOM 0 H GLU A 54 -13.804 -5.923 9.733 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.809 -4.954 12.132 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.877 -5.314 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.279 -3.613 9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.897 -3.188 11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.425 -4.876 11.505 1.00 0.00 H new ATOM 816 N VAL A 55 -14.500 -2.676 10.457 1.00 0.00 N ATOM 817 CA VAL A 55 -15.105 -1.382 10.532 1.00 0.00 C ATOM 818 C VAL A 55 -16.483 -1.335 11.098 1.00 0.00 C ATOM 819 O VAL A 55 -16.876 -0.347 11.717 1.00 0.00 O ATOM 820 CB VAL A 55 -15.272 -0.691 9.212 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.931 -0.064 8.797 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.853 -1.537 8.066 1.00 0.00 C ATOM 0 H VAL A 55 -14.633 -3.113 9.545 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.381 -0.895 11.185 1.00 0.00 H new ATOM 0 HB VAL A 55 -16.035 0.069 9.381 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.046 0.440 7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.618 0.658 9.551 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.176 -0.845 8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.926 -0.928 7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.201 -2.390 7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.845 -1.894 8.344 1.00 0.00 H new ATOM 832 N ASP A 56 -17.179 -2.484 11.036 1.00 0.00 N ATOM 833 CA ASP A 56 -18.575 -2.536 11.342 1.00 0.00 C ATOM 834 C ASP A 56 -18.978 -2.429 12.773 1.00 0.00 C ATOM 835 O ASP A 56 -19.301 -3.382 13.479 1.00 0.00 O ATOM 836 CB ASP A 56 -19.222 -3.750 10.653 1.00 0.00 C ATOM 837 CG ASP A 56 -20.740 -3.712 10.754 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.225 -2.604 10.402 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.391 -4.731 11.109 1.00 0.00 O ATOM 0 H ASP A 56 -16.772 -3.382 10.773 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.966 -1.604 10.934 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.928 -3.773 9.604 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.850 -4.668 11.108 1.00 0.00 H new ATOM 844 N ALA A 57 -19.053 -1.154 13.195 1.00 0.00 N ATOM 845 CA ALA A 57 -19.330 -0.776 14.546 1.00 0.00 C ATOM 846 C ALA A 57 -20.750 -0.384 14.769 1.00 0.00 C ATOM 847 O ALA A 57 -21.296 -0.777 15.799 1.00 0.00 O ATOM 848 CB ALA A 57 -18.447 0.358 15.094 1.00 0.00 C ATOM 0 H ALA A 57 -18.916 -0.357 12.573 1.00 0.00 H new ATOM 0 HA ALA A 57 -19.100 -1.691 15.092 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.731 0.575 16.124 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.401 0.052 15.062 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.583 1.252 14.485 1.00 0.00 H new ATOM 854 N ASP A 58 -21.460 0.187 13.780 1.00 0.00 N ATOM 855 CA ASP A 58 -22.867 0.440 13.760 1.00 0.00 C ATOM 856 C ASP A 58 -23.746 -0.760 13.847 1.00 0.00 C ATOM 857 O ASP A 58 -24.860 -0.763 14.369 1.00 0.00 O ATOM 858 CB ASP A 58 -23.071 1.358 12.543 1.00 0.00 C ATOM 859 CG ASP A 58 -22.627 0.674 11.259 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.423 0.772 10.902 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.478 0.115 10.516 1.00 0.00 O ATOM 0 H ASP A 58 -21.008 0.498 12.920 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.200 0.930 14.675 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.122 1.636 12.466 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.507 2.280 12.681 1.00 0.00 H new ATOM 866 N GLY A 59 -23.241 -1.870 13.280 1.00 0.00 N ATOM 867 CA GLY A 59 -23.670 -3.226 13.429 1.00 0.00 C ATOM 868 C GLY A 59 -24.865 -3.550 12.600 1.00 0.00 C ATOM 869 O GLY A 59 -25.858 -4.072 13.104 1.00 0.00 O ATOM 0 H GLY A 59 -22.443 -1.806 12.647 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.852 -3.893 13.155 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.899 -3.416 14.478 1.00 0.00 H new ATOM 873 N ASN A 60 -24.742 -3.296 11.285 1.00 0.00 N ATOM 874 CA ASN A 60 -25.612 -3.744 10.242 1.00 0.00 C ATOM 875 C ASN A 60 -25.093 -4.970 9.574 1.00 0.00 C ATOM 876 O ASN A 60 -25.751 -5.664 8.800 1.00 0.00 O ATOM 877 CB ASN A 60 -25.971 -2.661 9.211 1.00 0.00 C ATOM 878 CG ASN A 60 -24.803 -1.964 8.528 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.597 -2.065 8.749 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.198 -1.082 7.571 1.00 0.00 N ATOM 0 H ASN A 60 -23.972 -2.732 10.924 1.00 0.00 H new ATOM 0 HA ASN A 60 -26.546 -3.995 10.745 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.595 -3.115 8.442 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.578 -1.904 9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.503 -0.533 7.065 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.189 -0.970 7.359 1.00 0.00 H new ATOM 887 N GLY A 61 -23.777 -5.220 9.701 1.00 0.00 N ATOM 888 CA GLY A 61 -23.099 -6.266 9.001 1.00 0.00 C ATOM 889 C GLY A 61 -22.583 -5.829 7.673 1.00 0.00 C ATOM 890 O GLY A 61 -21.971 -6.658 7.001 1.00 0.00 O ATOM 0 H GLY A 61 -23.166 -4.677 10.310 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -22.268 -6.625 9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.780 -7.106 8.863 1.00 0.00 H new ATOM 894 N THR A 62 -22.802 -4.604 7.164 1.00 0.00 N ATOM 895 CA THR A 62 -22.415 -4.371 5.807 1.00 0.00 C ATOM 896 C THR A 62 -21.640 -3.099 5.782 1.00 0.00 C ATOM 897 O THR A 62 -21.467 -2.413 6.788 1.00 0.00 O ATOM 898 CB THR A 62 -23.539 -4.204 4.828 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.496 -3.281 5.328 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.358 -5.499 4.697 1.00 0.00 C ATOM 0 H THR A 62 -23.222 -3.816 7.657 1.00 0.00 H new ATOM 0 HA THR A 62 -21.862 -5.258 5.498 1.00 0.00 H new ATOM 0 HB THR A 62 -23.074 -3.895 3.892 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.194 -3.137 4.655 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.166 -5.348 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.711 -6.305 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.778 -5.763 5.667 1.00 0.00 H new ATOM 908 N ILE A 63 -21.066 -2.743 4.619 1.00 0.00 N ATOM 909 CA ILE A 63 -20.323 -1.538 4.415 1.00 0.00 C ATOM 910 C ILE A 63 -21.287 -0.504 3.946 1.00 0.00 C ATOM 911 O ILE A 63 -22.081 -0.760 3.042 1.00 0.00 O ATOM 912 CB ILE A 63 -19.191 -1.643 3.436 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.212 -2.745 3.872 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.561 -0.256 3.225 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.501 -2.612 5.218 1.00 0.00 C ATOM 0 H ILE A 63 -21.123 -3.323 3.782 1.00 0.00 H new ATOM 0 HA ILE A 63 -19.849 -1.287 5.364 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.549 -1.956 2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.759 -3.687 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -17.446 -2.828 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.739 -0.334 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.313 0.430 2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.184 0.121 4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.848 -3.471 5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.906 -1.699 5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -18.241 -2.571 6.018 1.00 0.00 H new ATOM 927 N ASP A 64 -21.456 0.598 4.699 1.00 0.00 N ATOM 928 CA ASP A 64 -22.233 1.755 4.378 1.00 0.00 C ATOM 929 C ASP A 64 -21.412 2.969 4.109 1.00 0.00 C ATOM 930 O ASP A 64 -20.194 2.929 4.279 1.00 0.00 O ATOM 931 CB ASP A 64 -23.436 1.917 5.322 1.00 0.00 C ATOM 932 CG ASP A 64 -23.047 1.968 6.793 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.607 0.921 7.340 1.00 0.00 O ATOM 934 OD2 ASP A 64 -23.030 3.085 7.375 1.00 0.00 O ATOM 0 H ASP A 64 -21.009 0.685 5.612 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.695 1.591 3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.971 2.831 5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.126 1.088 5.165 1.00 0.00 H new ATOM 939 N PHE A 65 -21.925 4.072 3.534 1.00 0.00 N ATOM 940 CA PHE A 65 -21.086 5.039 2.898 1.00 0.00 C ATOM 941 C PHE A 65 -20.134 5.828 3.729 1.00 0.00 C ATOM 942 O PHE A 65 -18.968 5.909 3.346 1.00 0.00 O ATOM 943 CB PHE A 65 -22.020 6.002 2.144 1.00 0.00 C ATOM 944 CG PHE A 65 -21.233 7.076 1.475 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.246 6.833 0.549 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.394 8.369 1.912 1.00 0.00 C ATOM 947 CE1 PHE A 65 -19.557 7.890 0.002 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.605 9.391 1.440 1.00 0.00 C ATOM 949 CZ PHE A 65 -19.681 9.187 0.442 1.00 0.00 C ATOM 0 H PHE A 65 -22.920 4.294 3.510 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.410 4.455 2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.598 5.451 1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.733 6.445 2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.014 5.820 0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.158 8.587 2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -18.882 7.691 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.713 10.379 1.863 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.091 9.993 0.031 1.00 0.00 H new ATOM 959 N PRO A 66 -20.281 6.443 4.865 1.00 0.00 N ATOM 960 CA PRO A 66 -19.211 7.101 5.558 1.00 0.00 C ATOM 961 C PRO A 66 -18.255 6.120 6.144 1.00 0.00 C ATOM 962 O PRO A 66 -17.095 6.471 6.357 1.00 0.00 O ATOM 963 CB PRO A 66 -19.919 7.932 6.625 1.00 0.00 C ATOM 964 CG PRO A 66 -21.153 7.082 6.967 1.00 0.00 C ATOM 965 CD PRO A 66 -21.550 6.634 5.552 1.00 0.00 C ATOM 0 HA PRO A 66 -18.599 7.719 4.901 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.285 8.092 7.497 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.199 8.916 6.249 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.916 6.243 7.621 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.936 7.659 7.459 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.132 5.713 5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.163 7.386 5.054 1.00 0.00 H new ATOM 973 N GLU A 67 -18.661 4.854 6.347 1.00 0.00 N ATOM 974 CA GLU A 67 -17.852 3.716 6.654 1.00 0.00 C ATOM 975 C GLU A 67 -16.937 3.413 5.518 1.00 0.00 C ATOM 976 O GLU A 67 -15.730 3.226 5.660 1.00 0.00 O ATOM 977 CB GLU A 67 -18.727 2.489 6.963 1.00 0.00 C ATOM 978 CG GLU A 67 -17.947 1.367 7.652 1.00 0.00 C ATOM 979 CD GLU A 67 -18.988 0.349 8.093 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.656 -0.278 7.229 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.212 0.089 9.306 1.00 0.00 O ATOM 0 H GLU A 67 -19.649 4.607 6.290 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.259 3.949 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.559 2.792 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.156 2.111 6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.225 0.918 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.386 1.748 8.506 1.00 0.00 H new ATOM 988 N PHE A 68 -17.415 3.527 4.266 1.00 0.00 N ATOM 989 CA PHE A 68 -16.776 3.260 3.015 1.00 0.00 C ATOM 990 C PHE A 68 -15.741 4.305 2.776 1.00 0.00 C ATOM 991 O PHE A 68 -14.591 4.021 2.445 1.00 0.00 O ATOM 992 CB PHE A 68 -17.726 3.246 1.805 1.00 0.00 C ATOM 993 CG PHE A 68 -17.094 2.834 0.520 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.562 1.587 0.292 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.900 3.840 -0.396 1.00 0.00 C ATOM 996 CE1 PHE A 68 -15.941 1.319 -0.905 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.255 3.499 -1.561 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.765 2.257 -1.894 1.00 0.00 C ATOM 0 H PHE A 68 -18.372 3.848 4.117 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.354 2.258 3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.555 2.571 2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.150 4.243 1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.632 0.821 1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.238 4.849 -0.210 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.572 0.319 -1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.119 4.285 -2.289 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.289 2.041 -2.839 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.087 5.581 3.022 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.273 6.719 2.729 1.00 0.00 C ATOM 1010 C LEU A 69 -14.121 6.790 3.671 1.00 0.00 C ATOM 1011 O LEU A 69 -13.002 7.135 3.294 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.160 7.971 2.844 1.00 0.00 C ATOM 1013 CG LEU A 69 -15.552 9.378 2.722 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -15.154 9.927 4.103 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -14.449 9.504 1.658 1.00 0.00 C ATOM 0 H LEU A 69 -16.980 5.831 3.447 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.862 6.647 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.932 7.888 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.661 7.921 3.811 1.00 0.00 H new ATOM 0 HG LEU A 69 -16.340 10.024 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.727 10.923 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -16.036 9.981 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.417 9.266 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.077 10.528 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.631 8.825 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.856 9.248 0.680 1.00 0.00 H new ATOM 1027 N THR A 70 -14.345 6.377 4.931 1.00 0.00 N ATOM 1028 CA THR A 70 -13.407 6.331 6.009 1.00 0.00 C ATOM 1029 C THR A 70 -12.392 5.259 5.807 1.00 0.00 C ATOM 1030 O THR A 70 -11.182 5.430 5.948 1.00 0.00 O ATOM 1031 CB THR A 70 -14.108 6.283 7.334 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.832 7.490 7.522 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.100 6.250 8.496 1.00 0.00 C ATOM 0 H THR A 70 -15.266 6.046 5.219 1.00 0.00 H new ATOM 0 HA THR A 70 -12.836 7.259 6.017 1.00 0.00 H new ATOM 0 HB THR A 70 -14.740 5.395 7.330 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.734 7.392 7.150 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.638 6.216 9.443 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.468 5.366 8.405 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.478 7.145 8.464 1.00 0.00 H new ATOM 1041 N MET A 71 -12.785 4.064 5.331 1.00 0.00 N ATOM 1042 CA MET A 71 -11.974 2.912 5.087 1.00 0.00 C ATOM 1043 C MET A 71 -11.247 2.898 3.786 1.00 0.00 C ATOM 1044 O MET A 71 -10.077 2.536 3.677 1.00 0.00 O ATOM 1045 CB MET A 71 -12.832 1.661 5.340 1.00 0.00 C ATOM 1046 CG MET A 71 -13.586 1.086 4.140 1.00 0.00 C ATOM 1047 SD MET A 71 -14.646 -0.333 4.552 1.00 0.00 S ATOM 1048 CE MET A 71 -13.341 -1.577 4.768 1.00 0.00 C ATOM 0 H MET A 71 -13.762 3.891 5.096 1.00 0.00 H new ATOM 0 HA MET A 71 -11.141 2.934 5.790 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.185 0.881 5.740 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.560 1.900 6.116 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.200 1.871 3.699 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.865 0.781 3.382 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.706 -2.548 4.434 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.468 -1.295 4.179 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.065 -1.635 5.821 1.00 0.00 H new ATOM 1058 N MET A 72 -11.935 3.381 2.736 1.00 0.00 N ATOM 1059 CA MET A 72 -11.465 3.402 1.386 1.00 0.00 C ATOM 1060 C MET A 72 -10.354 4.376 1.191 1.00 0.00 C ATOM 1061 O MET A 72 -9.391 3.961 0.549 1.00 0.00 O ATOM 1062 CB MET A 72 -12.505 3.703 0.293 1.00 0.00 C ATOM 1063 CG MET A 72 -12.164 3.110 -1.075 1.00 0.00 C ATOM 1064 SD MET A 72 -12.197 1.293 -1.062 1.00 0.00 S ATOM 1065 CE MET A 72 -11.984 0.963 -2.835 1.00 0.00 C ATOM 0 H MET A 72 -12.869 3.778 2.835 1.00 0.00 H new ATOM 0 HA MET A 72 -11.144 2.368 1.258 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.473 3.318 0.612 1.00 0.00 H new ATOM 0 HB3 MET A 72 -12.609 4.783 0.193 1.00 0.00 H new ATOM 0 HG2 MET A 72 -12.873 3.479 -1.816 1.00 0.00 H new ATOM 0 HG3 MET A 72 -11.175 3.452 -1.381 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.981 -0.113 -3.007 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.804 1.417 -3.391 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.038 1.387 -3.173 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.348 5.559 1.830 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.312 6.542 1.905 1.00 0.00 C ATOM 1077 C ALA A 73 -8.154 6.029 2.689 1.00 0.00 C ATOM 1078 O ALA A 73 -7.011 6.220 2.278 1.00 0.00 O ATOM 1079 CB ALA A 73 -9.921 7.781 2.584 1.00 0.00 C ATOM 0 H ALA A 73 -11.169 5.859 2.356 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.939 6.788 0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.164 8.561 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.758 8.147 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.273 7.514 3.581 1.00 0.00 H new ATOM 1234 N GLU A 83 5.356 2.094 -2.967 1.00 0.00 N ATOM 1235 CA GLU A 83 5.423 2.719 -4.252 1.00 0.00 C ATOM 1236 C GLU A 83 4.736 4.040 -4.296 1.00 0.00 C ATOM 1237 O GLU A 83 5.284 4.992 -4.850 1.00 0.00 O ATOM 1238 CB GLU A 83 5.055 1.661 -5.305 1.00 0.00 C ATOM 1239 CG GLU A 83 5.444 2.144 -6.704 1.00 0.00 C ATOM 1240 CD GLU A 83 5.432 1.021 -7.731 1.00 0.00 C ATOM 1241 OE1 GLU A 83 4.872 -0.046 -7.364 1.00 0.00 O ATOM 1242 OE2 GLU A 83 5.919 1.178 -8.883 1.00 0.00 O ATOM 0 HA GLU A 83 6.434 3.041 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.565 0.724 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.985 1.458 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.755 2.928 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.438 2.589 -6.668 1.00 0.00 H new ATOM 1249 N GLU A 84 3.505 4.151 -3.764 1.00 0.00 N ATOM 1250 CA GLU A 84 2.757 5.363 -3.899 1.00 0.00 C ATOM 1251 C GLU A 84 3.086 6.423 -2.906 1.00 0.00 C ATOM 1252 O GLU A 84 2.840 7.577 -3.255 1.00 0.00 O ATOM 1253 CB GLU A 84 1.232 5.196 -3.794 1.00 0.00 C ATOM 1254 CG GLU A 84 0.768 4.358 -4.987 1.00 0.00 C ATOM 1255 CD GLU A 84 -0.734 4.153 -5.116 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -1.371 4.005 -4.039 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -1.257 4.006 -6.253 1.00 0.00 O ATOM 0 H GLU A 84 3.032 3.411 -3.246 1.00 0.00 H new ATOM 0 HA GLU A 84 3.058 5.659 -4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.965 4.707 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.740 6.169 -3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.130 4.831 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.244 3.379 -4.925 1.00 0.00 H new ATOM 1264 N ILE A 85 3.679 6.096 -1.744 1.00 0.00 N ATOM 1265 CA ILE A 85 4.289 7.001 -0.821 1.00 0.00 C ATOM 1266 C ILE A 85 5.548 7.548 -1.400 1.00 0.00 C ATOM 1267 O ILE A 85 5.872 8.724 -1.244 1.00 0.00 O ATOM 1268 CB ILE A 85 4.413 6.516 0.593 1.00 0.00 C ATOM 1269 CG1 ILE A 85 5.582 5.590 0.971 1.00 0.00 C ATOM 1270 CG2 ILE A 85 3.086 5.841 0.981 1.00 0.00 C ATOM 1271 CD1 ILE A 85 5.397 4.807 2.271 1.00 0.00 C ATOM 0 H ILE A 85 3.735 5.128 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 85 3.588 7.826 -0.693 1.00 0.00 H new ATOM 0 HB ILE A 85 4.647 7.421 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.741 4.881 0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.488 6.190 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.149 5.478 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.273 6.563 0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.895 5.003 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.274 4.185 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.272 5.503 3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.513 4.174 2.192 1.00 0.00 H new ATOM 1283 N ARG A 86 6.341 6.720 -2.104 1.00 0.00 N ATOM 1284 CA ARG A 86 7.505 7.187 -2.792 1.00 0.00 C ATOM 1285 C ARG A 86 7.272 8.084 -3.959 1.00 0.00 C ATOM 1286 O ARG A 86 7.922 9.120 -4.086 1.00 0.00 O ATOM 1287 CB ARG A 86 8.305 5.941 -3.208 1.00 0.00 C ATOM 1288 CG ARG A 86 8.979 5.362 -1.962 1.00 0.00 C ATOM 1289 CD ARG A 86 10.028 4.269 -2.172 1.00 0.00 C ATOM 1290 NE ARG A 86 10.460 3.777 -0.833 1.00 0.00 N ATOM 1291 CZ ARG A 86 11.405 4.303 -0.001 1.00 0.00 C ATOM 1292 NH1 ARG A 86 12.214 5.315 -0.430 1.00 0.00 N ATOM 1293 NH2 ARG A 86 11.561 3.640 1.182 1.00 0.00 N ATOM 0 H ARG A 86 6.174 5.718 -2.197 1.00 0.00 H new ATOM 0 HA ARG A 86 8.048 7.832 -2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.646 5.201 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.053 6.203 -3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.451 6.183 -1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.200 4.961 -1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.613 3.452 -2.762 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.881 4.661 -2.726 1.00 0.00 H new ATOM 0 HE ARG A 86 9.988 2.938 -0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.114 5.682 -1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.919 5.705 0.196 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.992 2.818 1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.247 3.966 1.863 1.00 0.00 H new ATOM 1307 N GLU A 87 6.341 7.721 -4.860 1.00 0.00 N ATOM 1308 CA GLU A 87 5.756 8.594 -5.829 1.00 0.00 C ATOM 1309 C GLU A 87 4.974 9.810 -5.468 1.00 0.00 C ATOM 1310 O GLU A 87 5.182 10.862 -6.071 1.00 0.00 O ATOM 1311 CB GLU A 87 4.998 7.794 -6.902 1.00 0.00 C ATOM 1312 CG GLU A 87 4.665 8.522 -8.206 1.00 0.00 C ATOM 1313 CD GLU A 87 3.902 7.780 -9.293 1.00 0.00 C ATOM 1314 OE1 GLU A 87 4.281 6.659 -9.726 1.00 0.00 O ATOM 1315 OE2 GLU A 87 2.759 8.204 -9.614 1.00 0.00 O ATOM 0 H GLU A 87 5.978 6.769 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 87 6.677 9.070 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.590 6.912 -7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.065 7.440 -6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.089 9.411 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.604 8.866 -8.640 1.00 0.00 H new ATOM 1322 N ALA A 88 4.197 9.833 -4.370 1.00 0.00 N ATOM 1323 CA ALA A 88 3.583 11.020 -3.863 1.00 0.00 C ATOM 1324 C ALA A 88 4.576 11.938 -3.236 1.00 0.00 C ATOM 1325 O ALA A 88 4.410 13.153 -3.330 1.00 0.00 O ATOM 1326 CB ALA A 88 2.482 10.618 -2.867 1.00 0.00 C ATOM 0 H ALA A 88 3.990 9.000 -3.819 1.00 0.00 H new ATOM 0 HA ALA A 88 3.142 11.573 -4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.004 11.514 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.738 10.004 -3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.922 10.050 -2.048 1.00 0.00 H new ATOM 1332 N PHE A 89 5.698 11.447 -2.681 1.00 0.00 N ATOM 1333 CA PHE A 89 6.720 12.351 -2.251 1.00 0.00 C ATOM 1334 C PHE A 89 7.429 12.922 -3.430 1.00 0.00 C ATOM 1335 O PHE A 89 7.660 14.130 -3.460 1.00 0.00 O ATOM 1336 CB PHE A 89 7.636 11.553 -1.308 1.00 0.00 C ATOM 1337 CG PHE A 89 8.446 12.494 -0.484 1.00 0.00 C ATOM 1338 CD1 PHE A 89 9.463 13.196 -1.087 1.00 0.00 C ATOM 1339 CD2 PHE A 89 8.097 12.809 0.808 1.00 0.00 C ATOM 1340 CE1 PHE A 89 10.216 14.093 -0.366 1.00 0.00 C ATOM 1341 CE2 PHE A 89 8.762 13.802 1.488 1.00 0.00 C ATOM 1342 CZ PHE A 89 9.900 14.350 0.947 1.00 0.00 C ATOM 0 H PHE A 89 5.896 10.457 -2.533 1.00 0.00 H new ATOM 0 HA PHE A 89 6.320 13.211 -1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.038 10.910 -0.662 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.292 10.903 -1.886 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.672 13.042 -2.135 1.00 0.00 H new ATOM 0 HD2 PHE A 89 7.295 12.272 1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 89 11.053 14.594 -0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.392 14.149 2.441 1.00 0.00 H new ATOM 0 HZ PHE A 89 10.541 14.978 1.548 1.00 0.00 H new ATOM 1352 N ARG A 90 7.735 12.141 -4.481 1.00 0.00 N ATOM 1353 CA ARG A 90 8.364 12.574 -5.691 1.00 0.00 C ATOM 1354 C ARG A 90 7.511 13.496 -6.492 1.00 0.00 C ATOM 1355 O ARG A 90 8.094 14.250 -7.270 1.00 0.00 O ATOM 1356 CB ARG A 90 8.804 11.317 -6.461 1.00 0.00 C ATOM 1357 CG ARG A 90 9.515 11.540 -7.797 1.00 0.00 C ATOM 1358 CD ARG A 90 10.970 12.012 -7.852 1.00 0.00 C ATOM 1359 NE ARG A 90 11.032 13.490 -7.677 1.00 0.00 N ATOM 1360 CZ ARG A 90 12.158 14.232 -7.890 1.00 0.00 C ATOM 1361 NH1 ARG A 90 13.389 13.650 -7.983 1.00 0.00 N ATOM 1362 NH2 ARG A 90 12.025 15.590 -7.907 1.00 0.00 N ATOM 0 H ARG A 90 7.530 11.142 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 90 9.241 13.179 -5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.466 10.738 -5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.921 10.704 -6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.465 10.599 -8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.924 12.266 -8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.550 11.520 -7.071 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.416 11.731 -8.806 1.00 0.00 H new ATOM 0 HE ARG A 90 10.185 13.975 -7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.483 12.638 -7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.215 14.227 -8.143 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.109 16.015 -7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.842 16.181 -8.063 1.00 0.00 H new ATOM 1376 N VAL A 91 6.170 13.458 -6.390 1.00 0.00 N ATOM 1377 CA VAL A 91 5.274 14.386 -7.007 1.00 0.00 C ATOM 1378 C VAL A 91 5.420 15.775 -6.488 1.00 0.00 C ATOM 1379 O VAL A 91 5.518 16.704 -7.288 1.00 0.00 O ATOM 1380 CB VAL A 91 3.872 13.858 -6.937 1.00 0.00 C ATOM 1381 CG1 VAL A 91 2.706 14.811 -7.251 1.00 0.00 C ATOM 1382 CG2 VAL A 91 3.749 12.711 -7.954 1.00 0.00 C ATOM 0 H VAL A 91 5.686 12.742 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 91 5.542 14.474 -8.060 1.00 0.00 H new ATOM 0 HB VAL A 91 3.760 13.598 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.762 14.275 -7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.721 15.647 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.808 15.188 -8.269 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.737 12.306 -7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.961 13.088 -8.955 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.461 11.925 -7.704 1.00 0.00 H new ATOM 1392 N PHE A 92 5.380 15.912 -5.150 1.00 0.00 N ATOM 1393 CA PHE A 92 5.652 17.178 -4.544 1.00 0.00 C ATOM 1394 C PHE A 92 7.044 17.706 -4.613 1.00 0.00 C ATOM 1395 O PHE A 92 7.280 18.889 -4.854 1.00 0.00 O ATOM 1396 CB PHE A 92 5.210 16.999 -3.082 1.00 0.00 C ATOM 1397 CG PHE A 92 3.735 16.862 -2.926 1.00 0.00 C ATOM 1398 CD1 PHE A 92 2.928 17.848 -3.443 1.00 0.00 C ATOM 1399 CD2 PHE A 92 3.141 15.803 -2.280 1.00 0.00 C ATOM 1400 CE1 PHE A 92 1.563 17.852 -3.279 1.00 0.00 C ATOM 1401 CE2 PHE A 92 1.774 15.780 -2.138 1.00 0.00 C ATOM 1402 CZ PHE A 92 0.997 16.842 -2.538 1.00 0.00 C ATOM 0 H PHE A 92 5.163 15.159 -4.497 1.00 0.00 H new ATOM 0 HA PHE A 92 5.115 17.940 -5.109 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.696 16.115 -2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.552 17.854 -2.499 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.385 18.652 -4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.743 14.997 -1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.953 18.627 -3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.301 14.911 -1.704 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.049 16.882 -2.272 1.00 0.00 H new ATOM 1412 N ASP A 93 8.083 16.888 -4.365 1.00 0.00 N ATOM 1413 CA ASP A 93 9.434 17.331 -4.513 1.00 0.00 C ATOM 1414 C ASP A 93 9.840 17.693 -5.901 1.00 0.00 C ATOM 1415 O ASP A 93 9.954 16.853 -6.792 1.00 0.00 O ATOM 1416 CB ASP A 93 10.408 16.334 -3.863 1.00 0.00 C ATOM 1417 CG ASP A 93 11.804 16.892 -3.628 1.00 0.00 C ATOM 1418 OD1 ASP A 93 11.944 18.144 -3.614 1.00 0.00 O ATOM 1419 OD2 ASP A 93 12.790 16.143 -3.396 1.00 0.00 O ATOM 0 H ASP A 93 7.987 15.919 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 93 9.486 18.279 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.994 16.007 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.484 15.451 -4.497 1.00 0.00 H new ATOM 1424 N LYS A 94 10.120 18.985 -6.146 1.00 0.00 N ATOM 1425 CA LYS A 94 10.388 19.496 -7.454 1.00 0.00 C ATOM 1426 C LYS A 94 11.845 19.394 -7.749 1.00 0.00 C ATOM 1427 O LYS A 94 12.199 18.644 -8.657 1.00 0.00 O ATOM 1428 CB LYS A 94 9.768 20.889 -7.660 1.00 0.00 C ATOM 1429 CG LYS A 94 10.018 21.665 -8.954 1.00 0.00 C ATOM 1430 CD LYS A 94 9.578 20.796 -10.133 1.00 0.00 C ATOM 1431 CE LYS A 94 9.621 21.473 -11.504 1.00 0.00 C ATOM 1432 NZ LYS A 94 10.802 22.343 -11.698 1.00 0.00 N ATOM 0 H LYS A 94 10.161 19.694 -5.414 1.00 0.00 H new ATOM 0 HA LYS A 94 9.890 18.880 -8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.689 20.780 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.108 21.518 -6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.463 22.603 -8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.074 21.920 -9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.212 19.910 -10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.560 20.453 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.614 20.706 -12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.717 22.067 -11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.840 22.661 -12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.731 23.170 -11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.666 21.811 -11.472 1.00 0.00 H new ATOM 1446 N ASP A 95 12.653 20.142 -6.976 1.00 0.00 N ATOM 1447 CA ASP A 95 14.072 20.314 -6.966 1.00 0.00 C ATOM 1448 C ASP A 95 14.877 19.094 -6.677 1.00 0.00 C ATOM 1449 O ASP A 95 16.000 19.038 -7.177 1.00 0.00 O ATOM 1450 CB ASP A 95 14.472 21.528 -6.110 1.00 0.00 C ATOM 1451 CG ASP A 95 13.916 21.455 -4.696 1.00 0.00 C ATOM 1452 OD1 ASP A 95 14.173 20.383 -4.084 1.00 0.00 O ATOM 1453 OD2 ASP A 95 13.198 22.351 -4.176 1.00 0.00 O ATOM 0 H ASP A 95 12.235 20.715 -6.243 1.00 0.00 H new ATOM 0 HA ASP A 95 14.340 20.523 -8.002 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.559 21.595 -6.066 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.116 22.440 -6.590 1.00 0.00 H new ATOM 1458 N GLY A 96 14.282 18.129 -5.954 1.00 0.00 N ATOM 1459 CA GLY A 96 14.876 16.839 -5.788 1.00 0.00 C ATOM 1460 C GLY A 96 15.588 16.599 -4.501 1.00 0.00 C ATOM 1461 O GLY A 96 16.345 15.646 -4.322 1.00 0.00 O ATOM 0 H GLY A 96 13.385 18.243 -5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.094 16.087 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.581 16.680 -6.604 1.00 0.00 H new ATOM 1465 N ASN A 97 15.572 17.648 -3.659 1.00 0.00 N ATOM 1466 CA ASN A 97 16.394 17.673 -2.489 1.00 0.00 C ATOM 1467 C ASN A 97 16.016 16.677 -1.447 1.00 0.00 C ATOM 1468 O ASN A 97 16.737 16.393 -0.491 1.00 0.00 O ATOM 1469 CB ASN A 97 16.743 18.991 -1.778 1.00 0.00 C ATOM 1470 CG ASN A 97 15.496 19.711 -1.283 1.00 0.00 C ATOM 1471 OD1 ASN A 97 14.350 19.403 -1.606 1.00 0.00 O ATOM 1472 ND2 ASN A 97 15.725 20.857 -0.587 1.00 0.00 N ATOM 0 H ASN A 97 14.992 18.477 -3.788 1.00 0.00 H new ATOM 0 HA ASN A 97 17.313 17.411 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.404 18.786 -0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 97 17.290 19.640 -2.462 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.945 21.463 -0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.676 21.110 -0.320 1.00 0.00 H new ATOM 1479 N GLY A 98 14.828 16.057 -1.554 1.00 0.00 N ATOM 1480 CA GLY A 98 14.393 14.970 -0.733 1.00 0.00 C ATOM 1481 C GLY A 98 13.558 15.639 0.304 1.00 0.00 C ATOM 1482 O GLY A 98 13.238 15.044 1.332 1.00 0.00 O ATOM 0 H GLY A 98 14.134 16.329 -2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.819 14.240 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.235 14.438 -0.290 1.00 0.00 H new ATOM 1486 N TYR A 99 13.156 16.916 0.178 1.00 0.00 N ATOM 1487 CA TYR A 99 12.427 17.735 1.096 1.00 0.00 C ATOM 1488 C TYR A 99 11.293 18.331 0.336 1.00 0.00 C ATOM 1489 O TYR A 99 11.532 18.682 -0.818 1.00 0.00 O ATOM 1490 CB TYR A 99 13.285 18.854 1.711 1.00 0.00 C ATOM 1491 CG TYR A 99 14.420 18.297 2.499 1.00 0.00 C ATOM 1492 CD1 TYR A 99 14.191 18.071 3.836 1.00 0.00 C ATOM 1493 CD2 TYR A 99 15.676 18.232 1.943 1.00 0.00 C ATOM 1494 CE1 TYR A 99 15.286 17.932 4.655 1.00 0.00 C ATOM 1495 CE2 TYR A 99 16.749 18.000 2.771 1.00 0.00 C ATOM 1496 CZ TYR A 99 16.557 17.916 4.129 1.00 0.00 C ATOM 1497 OH TYR A 99 17.614 17.824 5.059 1.00 0.00 O ATOM 0 H TYR A 99 13.371 17.434 -0.674 1.00 0.00 H new ATOM 0 HA TYR A 99 12.088 17.120 1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 99 13.670 19.496 0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 99 12.665 19.478 2.354 1.00 0.00 H new ATOM 0 HD1 TYR A 99 13.187 18.005 4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 99 15.817 18.360 0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 99 15.147 17.834 5.722 1.00 0.00 H new ATOM 0 HE2 TYR A 99 17.739 17.884 2.355 1.00 0.00 H new ATOM 0 HH TYR A 99 18.470 17.819 4.582 1.00 0.00 H new ATOM 1507 N ILE A 100 10.111 18.556 0.937 1.00 0.00 N ATOM 1508 CA ILE A 100 8.996 19.213 0.328 1.00 0.00 C ATOM 1509 C ILE A 100 8.968 20.546 0.993 1.00 0.00 C ATOM 1510 O ILE A 100 8.816 20.654 2.209 1.00 0.00 O ATOM 1511 CB ILE A 100 7.737 18.399 0.372 1.00 0.00 C ATOM 1512 CG1 ILE A 100 7.833 17.173 -0.552 1.00 0.00 C ATOM 1513 CG2 ILE A 100 6.487 19.186 -0.059 1.00 0.00 C ATOM 1514 CD1 ILE A 100 6.923 16.044 -0.073 1.00 0.00 C ATOM 0 H ILE A 100 9.924 18.265 1.896 1.00 0.00 H new ATOM 0 HA ILE A 100 9.090 19.341 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 100 7.634 18.104 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.558 17.458 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.864 16.822 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.612 18.538 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.348 20.040 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.614 19.538 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.014 15.192 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.215 15.743 0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.889 16.390 -0.062 1.00 0.00 H new ATOM 1526 N SER A 101 9.020 21.692 0.292 1.00 0.00 N ATOM 1527 CA SER A 101 8.707 22.945 0.907 1.00 0.00 C ATOM 1528 C SER A 101 7.318 23.298 0.499 1.00 0.00 C ATOM 1529 O SER A 101 6.851 22.782 -0.515 1.00 0.00 O ATOM 1530 CB SER A 101 9.662 24.058 0.443 1.00 0.00 C ATOM 1531 OG SER A 101 9.553 24.247 -0.960 1.00 0.00 O ATOM 0 H SER A 101 9.277 21.752 -0.693 1.00 0.00 H new ATOM 0 HA SER A 101 8.807 22.854 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.427 24.988 0.961 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.688 23.798 0.703 1.00 0.00 H new ATOM 0 HG SER A 101 10.164 24.959 -1.243 1.00 0.00 H new ATOM 1537 N ALA A 102 6.582 24.154 1.230 1.00 0.00 N ATOM 1538 CA ALA A 102 5.217 24.512 1.003 1.00 0.00 C ATOM 1539 C ALA A 102 4.976 24.940 -0.404 1.00 0.00 C ATOM 1540 O ALA A 102 3.967 24.540 -0.982 1.00 0.00 O ATOM 1541 CB ALA A 102 4.855 25.665 1.955 1.00 0.00 C ATOM 0 H ALA A 102 6.973 24.632 2.042 1.00 0.00 H new ATOM 0 HA ALA A 102 4.595 23.636 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.816 25.954 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.989 25.341 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.503 26.518 1.756 1.00 0.00 H new ATOM 1547 N ALA A 103 5.888 25.667 -1.075 1.00 0.00 N ATOM 1548 CA ALA A 103 5.623 26.077 -2.419 1.00 0.00 C ATOM 1549 C ALA A 103 5.623 25.021 -3.470 1.00 0.00 C ATOM 1550 O ALA A 103 5.087 25.190 -4.563 1.00 0.00 O ATOM 1551 CB ALA A 103 6.795 26.922 -2.945 1.00 0.00 C ATOM 0 H ALA A 103 6.788 25.965 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 103 4.642 26.539 -2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.589 27.232 -3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.918 27.804 -2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.710 26.330 -2.922 1.00 0.00 H new ATOM 1557 N GLU A 104 6.194 23.846 -3.150 1.00 0.00 N ATOM 1558 CA GLU A 104 6.271 22.656 -3.940 1.00 0.00 C ATOM 1559 C GLU A 104 4.987 21.922 -3.763 1.00 0.00 C ATOM 1560 O GLU A 104 4.469 21.295 -4.686 1.00 0.00 O ATOM 1561 CB GLU A 104 7.483 21.816 -3.505 1.00 0.00 C ATOM 1562 CG GLU A 104 8.851 22.467 -3.720 1.00 0.00 C ATOM 1563 CD GLU A 104 9.900 21.486 -3.216 1.00 0.00 C ATOM 1564 OE1 GLU A 104 10.209 21.497 -1.995 1.00 0.00 O ATOM 1565 OE2 GLU A 104 10.608 20.860 -4.050 1.00 0.00 O ATOM 0 H GLU A 104 6.647 23.719 -2.245 1.00 0.00 H new ATOM 0 HA GLU A 104 6.412 22.885 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.376 21.578 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.461 20.871 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.009 22.691 -4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.917 23.412 -3.180 1.00 0.00 H new ATOM 1572 N LEU A 105 4.469 21.875 -2.523 1.00 0.00 N ATOM 1573 CA LEU A 105 3.137 21.432 -2.247 1.00 0.00 C ATOM 1574 C LEU A 105 2.068 22.258 -2.875 1.00 0.00 C ATOM 1575 O LEU A 105 1.169 21.786 -3.569 1.00 0.00 O ATOM 1576 CB LEU A 105 2.983 21.225 -0.731 1.00 0.00 C ATOM 1577 CG LEU A 105 1.561 21.268 -0.146 1.00 0.00 C ATOM 1578 CD1 LEU A 105 0.820 19.970 -0.512 1.00 0.00 C ATOM 1579 CD2 LEU A 105 1.683 21.403 1.381 1.00 0.00 C ATOM 0 H LEU A 105 4.989 22.152 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 105 2.987 20.470 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.421 20.260 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.577 21.987 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 105 0.999 22.111 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.188 19.998 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.765 19.876 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.358 19.116 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.688 21.436 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.229 20.548 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.219 22.321 1.623 1.00 0.00 H new ATOM 1591 N ARG A 106 2.300 23.582 -2.941 1.00 0.00 N ATOM 1592 CA ARG A 106 1.386 24.466 -3.595 1.00 0.00 C ATOM 1593 C ARG A 106 1.342 24.246 -5.068 1.00 0.00 C ATOM 1594 O ARG A 106 0.287 24.253 -5.700 1.00 0.00 O ATOM 1595 CB ARG A 106 1.588 25.937 -3.195 1.00 0.00 C ATOM 1596 CG ARG A 106 0.566 26.940 -3.735 1.00 0.00 C ATOM 1597 CD ARG A 106 0.880 28.357 -3.248 1.00 0.00 C ATOM 1598 NE ARG A 106 -0.211 29.294 -3.635 1.00 0.00 N ATOM 1599 CZ ARG A 106 -0.467 30.446 -2.949 1.00 0.00 C ATOM 1600 NH1 ARG A 106 0.461 30.902 -2.058 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -1.518 31.283 -3.189 1.00 0.00 N ATOM 0 H ARG A 106 3.120 24.039 -2.542 1.00 0.00 H new ATOM 0 HA ARG A 106 0.391 24.210 -3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 106 1.583 25.998 -2.107 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.579 26.248 -3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.569 26.917 -4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.435 26.654 -3.413 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.001 28.357 -2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.825 28.694 -3.674 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.789 29.066 -4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.328 30.384 -1.914 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.288 31.761 -1.536 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.185 31.065 -3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.637 32.127 -2.628 1.00 0.00 H new ATOM 1615 N HIS A 107 2.538 24.097 -5.666 1.00 0.00 N ATOM 1616 CA HIS A 107 2.729 23.840 -7.059 1.00 0.00 C ATOM 1617 C HIS A 107 1.916 22.695 -7.557 1.00 0.00 C ATOM 1618 O HIS A 107 1.386 22.756 -8.665 1.00 0.00 O ATOM 1619 CB HIS A 107 4.234 23.636 -7.305 1.00 0.00 C ATOM 1620 CG HIS A 107 4.658 23.536 -8.740 1.00 0.00 C ATOM 1621 ND1 HIS A 107 4.388 24.530 -9.657 1.00 0.00 N ATOM 1622 CD2 HIS A 107 5.499 22.605 -9.265 1.00 0.00 C ATOM 1623 CE1 HIS A 107 5.143 24.126 -10.714 1.00 0.00 C ATOM 1624 NE2 HIS A 107 5.807 22.997 -10.552 1.00 0.00 N ATOM 0 H HIS A 107 3.416 24.159 -5.151 1.00 0.00 H new ATOM 0 HA HIS A 107 2.374 24.698 -7.630 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.773 24.464 -6.845 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.546 22.727 -6.790 1.00 0.00 H new ATOM 0 HD2 HIS A 107 5.861 21.719 -8.765 1.00 0.00 H new ATOM 0 HE1 HIS A 107 5.196 24.695 -11.631 1.00 0.00 H new ATOM 0 HE2 HIS A 107 6.410 22.523 -11.224 1.00 0.00 H new ATOM 1632 N VAL A 108 1.770 21.619 -6.763 1.00 0.00 N ATOM 1633 CA VAL A 108 0.968 20.532 -7.231 1.00 0.00 C ATOM 1634 C VAL A 108 -0.470 20.812 -6.960 1.00 0.00 C ATOM 1635 O VAL A 108 -1.281 20.447 -7.810 1.00 0.00 O ATOM 1636 CB VAL A 108 1.472 19.296 -6.547 1.00 0.00 C ATOM 1637 CG1 VAL A 108 0.652 18.100 -7.061 1.00 0.00 C ATOM 1638 CG2 VAL A 108 2.930 19.120 -7.004 1.00 0.00 C ATOM 0 H VAL A 108 2.186 21.502 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 108 1.044 20.393 -8.309 1.00 0.00 H new ATOM 0 HB VAL A 108 1.393 19.364 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.999 17.186 -6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.402 18.255 -6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.777 18.010 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.353 18.231 -6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.961 19.009 -8.088 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.511 19.995 -6.712 1.00 0.00 H new ATOM 1648 N MET A 109 -0.897 21.566 -5.932 1.00 0.00 N ATOM 1649 CA MET A 109 -2.283 21.831 -5.696 1.00 0.00 C ATOM 1650 C MET A 109 -2.813 22.885 -6.606 1.00 0.00 C ATOM 1651 O MET A 109 -4.014 22.847 -6.866 1.00 0.00 O ATOM 1652 CB MET A 109 -2.403 22.173 -4.201 1.00 0.00 C ATOM 1653 CG MET A 109 -2.261 20.881 -3.396 1.00 0.00 C ATOM 1654 SD MET A 109 -3.749 19.844 -3.529 1.00 0.00 S ATOM 1655 CE MET A 109 -4.718 20.649 -2.221 1.00 0.00 C ATOM 0 H MET A 109 -0.271 21.999 -5.253 1.00 0.00 H new ATOM 0 HA MET A 109 -2.905 20.965 -5.924 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.631 22.886 -3.912 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.365 22.644 -3.996 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.395 20.323 -3.752 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.077 21.122 -2.349 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.528 19.990 -1.910 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.073 20.859 -1.367 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.135 21.583 -2.599 1.00 0.00 H new ATOM 1665 N THR A 110 -2.078 23.859 -7.172 1.00 0.00 N ATOM 1666 CA THR A 110 -2.365 24.608 -8.356 1.00 0.00 C ATOM 1667 C THR A 110 -2.349 23.779 -9.594 1.00 0.00 C ATOM 1668 O THR A 110 -3.131 24.175 -10.457 1.00 0.00 O ATOM 1669 CB THR A 110 -1.427 25.763 -8.541 1.00 0.00 C ATOM 1670 OG1 THR A 110 -0.062 25.374 -8.489 1.00 0.00 O ATOM 1671 CG2 THR A 110 -1.721 26.952 -7.611 1.00 0.00 C ATOM 0 H THR A 110 -1.193 24.149 -6.756 1.00 0.00 H new ATOM 0 HA THR A 110 -3.377 24.983 -8.203 1.00 0.00 H new ATOM 0 HB THR A 110 -1.618 26.122 -9.552 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.000 24.396 -8.505 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.003 27.749 -7.802 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.730 27.320 -7.799 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.639 26.631 -6.573 1.00 0.00 H new ATOM 1679 N ASN A 111 -1.485 22.765 -9.779 1.00 0.00 N ATOM 1680 CA ASN A 111 -1.342 22.068 -11.019 1.00 0.00 C ATOM 1681 C ASN A 111 -2.670 21.470 -11.334 1.00 0.00 C ATOM 1682 O ASN A 111 -3.171 21.493 -12.457 1.00 0.00 O ATOM 1683 CB ASN A 111 -0.240 20.996 -11.085 1.00 0.00 C ATOM 1684 CG ASN A 111 -0.003 20.475 -12.495 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -0.856 19.867 -13.141 1.00 0.00 O ATOM 1686 ND2 ASN A 111 1.279 20.617 -12.925 1.00 0.00 N ATOM 0 H ASN A 111 -0.868 22.420 -9.044 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.012 22.801 -11.755 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.689 21.413 -10.696 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.511 20.163 -10.436 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.566 20.211 -13.816 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.954 21.129 -12.357 1.00 0.00 H new ATOM 1693 N LEU A 112 -3.343 20.839 -10.356 1.00 0.00 N ATOM 1694 CA LEU A 112 -4.651 20.262 -10.328 1.00 0.00 C ATOM 1695 C LEU A 112 -5.705 21.311 -10.413 1.00 0.00 C ATOM 1696 O LEU A 112 -6.670 21.137 -11.155 1.00 0.00 O ATOM 1697 CB LEU A 112 -4.818 19.508 -8.997 1.00 0.00 C ATOM 1698 CG LEU A 112 -3.930 18.271 -8.776 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -3.813 17.960 -7.275 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -4.450 17.000 -9.468 1.00 0.00 C ATOM 0 H LEU A 112 -2.894 20.719 -9.448 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.758 19.593 -11.182 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -4.629 20.210 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.859 19.196 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.967 18.529 -9.215 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.182 17.083 -7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.370 18.813 -6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.804 17.764 -6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.771 16.172 -9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.442 16.758 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.507 17.168 -10.543 1.00 0.00 H new ATOM 1712 N GLY A 113 -5.542 22.453 -9.720 1.00 0.00 N ATOM 1713 CA GLY A 113 -6.541 23.475 -9.720 1.00 0.00 C ATOM 1714 C GLY A 113 -7.271 23.507 -8.421 1.00 0.00 C ATOM 1715 O GLY A 113 -8.315 24.153 -8.340 1.00 0.00 O ATOM 0 H GLY A 113 -4.717 22.668 -9.160 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -6.076 24.443 -9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -7.245 23.300 -10.533 1.00 0.00 H new ATOM 1719 N GLU A 114 -6.767 22.842 -7.367 1.00 0.00 N ATOM 1720 CA GLU A 114 -7.470 22.858 -6.122 1.00 0.00 C ATOM 1721 C GLU A 114 -7.219 24.178 -5.478 1.00 0.00 C ATOM 1722 O GLU A 114 -6.074 24.607 -5.351 1.00 0.00 O ATOM 1723 CB GLU A 114 -6.957 21.708 -5.239 1.00 0.00 C ATOM 1724 CG GLU A 114 -7.801 21.285 -4.036 1.00 0.00 C ATOM 1725 CD GLU A 114 -9.075 20.645 -4.568 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -9.059 19.482 -5.052 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -10.096 21.384 -4.588 1.00 0.00 O ATOM 0 H GLU A 114 -5.898 22.308 -7.373 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.541 22.721 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.825 20.833 -5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.970 21.987 -4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.251 20.581 -3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.037 22.147 -3.412 1.00 0.00 H new ATOM 1734 N LYS A 115 -8.246 24.872 -4.955 1.00 0.00 N ATOM 1735 CA LYS A 115 -8.075 26.228 -4.535 1.00 0.00 C ATOM 1736 C LYS A 115 -7.358 26.282 -3.230 1.00 0.00 C ATOM 1737 O LYS A 115 -7.779 25.695 -2.235 1.00 0.00 O ATOM 1738 CB LYS A 115 -9.419 26.970 -4.428 1.00 0.00 C ATOM 1739 CG LYS A 115 -9.281 28.478 -4.207 1.00 0.00 C ATOM 1740 CD LYS A 115 -10.597 29.223 -3.973 1.00 0.00 C ATOM 1741 CE LYS A 115 -11.414 28.658 -2.809 1.00 0.00 C ATOM 1742 NZ LYS A 115 -11.003 29.285 -1.533 1.00 0.00 N ATOM 0 H LYS A 115 -9.186 24.499 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.477 26.730 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -9.991 26.798 -5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -9.993 26.544 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.629 28.646 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -8.785 28.913 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -10.382 30.274 -3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -11.197 29.182 -4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -12.475 28.835 -2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -11.276 27.578 -2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -11.568 28.890 -0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.995 29.094 -1.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -11.157 30.312 -1.586 1.00 0.00 H new ATOM 1756 N LEU A 116 -6.224 27.000 -3.139 1.00 0.00 N ATOM 1757 CA LEU A 116 -5.323 26.944 -2.030 1.00 0.00 C ATOM 1758 C LEU A 116 -4.750 28.270 -1.665 1.00 0.00 C ATOM 1759 O LEU A 116 -4.225 28.962 -2.536 1.00 0.00 O ATOM 1760 CB LEU A 116 -4.182 25.956 -2.328 1.00 0.00 C ATOM 1761 CG LEU A 116 -3.403 25.473 -1.093 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -4.324 24.858 -0.026 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -2.460 24.375 -1.613 1.00 0.00 C ATOM 0 H LEU A 116 -5.923 27.646 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.909 26.605 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.597 25.088 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.483 26.428 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.887 26.311 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.727 24.532 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.049 25.603 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.850 24.002 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.869 23.981 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -3.047 23.570 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.794 24.794 -2.367 1.00 0.00 H new ATOM 1775 N THR A 117 -4.921 28.748 -0.420 1.00 0.00 N ATOM 1776 CA THR A 117 -4.532 30.067 -0.027 1.00 0.00 C ATOM 1777 C THR A 117 -3.262 29.911 0.736 1.00 0.00 C ATOM 1778 O THR A 117 -2.983 28.819 1.229 1.00 0.00 O ATOM 1779 CB THR A 117 -5.471 30.853 0.840 1.00 0.00 C ATOM 1780 OG1 THR A 117 -5.806 30.294 2.101 1.00 0.00 O ATOM 1781 CG2 THR A 117 -6.820 31.034 0.124 1.00 0.00 C ATOM 0 H THR A 117 -5.341 28.203 0.333 1.00 0.00 H new ATOM 0 HA THR A 117 -4.480 30.639 -0.954 1.00 0.00 H new ATOM 0 HB THR A 117 -4.912 31.771 1.018 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.572 29.692 1.999 1.00 0.00 H new ATOM 0 HG21 THR A 117 -7.496 31.606 0.760 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.666 31.568 -0.814 1.00 0.00 H new ATOM 0 HG23 THR A 117 -7.256 30.057 -0.083 1.00 0.00 H new ATOM 1789 N ASP A 118 -2.581 31.027 1.049 1.00 0.00 N ATOM 1790 CA ASP A 118 -1.500 31.119 1.981 1.00 0.00 C ATOM 1791 C ASP A 118 -1.475 30.583 3.371 1.00 0.00 C ATOM 1792 O ASP A 118 -0.491 29.937 3.727 1.00 0.00 O ATOM 1793 CB ASP A 118 -1.189 32.621 2.092 1.00 0.00 C ATOM 1794 CG ASP A 118 -0.819 33.319 0.792 1.00 0.00 C ATOM 1795 OD1 ASP A 118 0.097 32.737 0.151 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -1.317 34.406 0.395 1.00 0.00 O ATOM 0 H ASP A 118 -2.801 31.926 0.621 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.810 30.408 1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.059 33.122 2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.369 32.752 2.798 1.00 0.00 H new ATOM 1801 N GLU A 119 -2.579 30.658 4.135 1.00 0.00 N ATOM 1802 CA GLU A 119 -2.720 30.039 5.416 1.00 0.00 C ATOM 1803 C GLU A 119 -2.975 28.575 5.315 1.00 0.00 C ATOM 1804 O GLU A 119 -2.570 27.789 6.170 1.00 0.00 O ATOM 1805 CB GLU A 119 -3.940 30.661 6.116 1.00 0.00 C ATOM 1806 CG GLU A 119 -3.719 32.175 6.129 1.00 0.00 C ATOM 1807 CD GLU A 119 -4.959 32.857 6.689 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -5.864 33.170 5.870 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -5.021 33.127 7.918 1.00 0.00 O ATOM 0 H GLU A 119 -3.411 31.173 3.847 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.790 30.195 5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -4.859 30.409 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -4.041 30.276 7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -2.848 32.422 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -3.517 32.534 5.120 1.00 0.00 H new ATOM 1816 N GLU A 120 -3.569 28.059 4.223 1.00 0.00 N ATOM 1817 CA GLU A 120 -3.974 26.699 4.053 1.00 0.00 C ATOM 1818 C GLU A 120 -2.725 25.944 3.755 1.00 0.00 C ATOM 1819 O GLU A 120 -2.501 24.934 4.420 1.00 0.00 O ATOM 1820 CB GLU A 120 -5.095 26.512 3.016 1.00 0.00 C ATOM 1821 CG GLU A 120 -6.385 27.173 3.506 1.00 0.00 C ATOM 1822 CD GLU A 120 -7.439 27.374 2.426 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -7.185 28.169 1.483 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -8.569 26.834 2.559 1.00 0.00 O ATOM 0 H GLU A 120 -3.779 28.632 3.406 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.445 26.312 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.795 26.947 2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.266 25.450 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.811 26.564 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.140 28.142 3.942 1.00 0.00 H new ATOM 1831 N VAL A 121 -1.797 26.403 2.896 1.00 0.00 N ATOM 1832 CA VAL A 121 -0.638 25.604 2.644 1.00 0.00 C ATOM 1833 C VAL A 121 0.322 25.650 3.783 1.00 0.00 C ATOM 1834 O VAL A 121 1.023 24.670 4.034 1.00 0.00 O ATOM 1835 CB VAL A 121 -0.058 25.881 1.289 1.00 0.00 C ATOM 1836 CG1 VAL A 121 0.610 27.266 1.233 1.00 0.00 C ATOM 1837 CG2 VAL A 121 0.922 24.781 0.848 1.00 0.00 C ATOM 0 H VAL A 121 -1.842 27.290 2.394 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.936 24.557 2.594 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.889 25.881 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.019 27.433 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.129 28.036 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.414 27.312 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.319 25.021 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.742 24.716 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.401 23.825 0.806 1.00 0.00 H new ATOM 1847 N ASP A 122 0.303 26.703 4.619 1.00 0.00 N ATOM 1848 CA ASP A 122 1.076 26.838 5.814 1.00 0.00 C ATOM 1849 C ASP A 122 0.576 25.939 6.892 1.00 0.00 C ATOM 1850 O ASP A 122 1.386 25.435 7.669 1.00 0.00 O ATOM 1851 CB ASP A 122 1.079 28.293 6.313 1.00 0.00 C ATOM 1852 CG ASP A 122 2.140 28.598 7.361 1.00 0.00 C ATOM 1853 OD1 ASP A 122 3.349 28.446 7.040 1.00 0.00 O ATOM 1854 OD2 ASP A 122 1.896 29.096 8.492 1.00 0.00 O ATOM 0 H ASP A 122 -0.292 27.513 4.448 1.00 0.00 H new ATOM 0 HA ASP A 122 2.097 26.548 5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 122 1.227 28.956 5.461 1.00 0.00 H new ATOM 0 HB3 ASP A 122 0.098 28.523 6.729 1.00 0.00 H new ATOM 1859 N GLU A 123 -0.746 25.700 6.963 1.00 0.00 N ATOM 1860 CA GLU A 123 -1.211 24.629 7.788 1.00 0.00 C ATOM 1861 C GLU A 123 -0.830 23.252 7.365 1.00 0.00 C ATOM 1862 O GLU A 123 -0.418 22.495 8.242 1.00 0.00 O ATOM 1863 CB GLU A 123 -2.741 24.729 7.910 1.00 0.00 C ATOM 1864 CG GLU A 123 -3.335 24.032 9.136 1.00 0.00 C ATOM 1865 CD GLU A 123 -4.801 24.368 9.369 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -5.160 25.525 9.716 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -5.696 23.500 9.188 1.00 0.00 O ATOM 0 H GLU A 123 -1.468 26.225 6.470 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.705 24.764 8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -3.021 25.782 7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.191 24.303 7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -3.231 22.953 9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.760 24.313 10.019 1.00 0.00 H new ATOM 1874 N MET A 124 -0.843 22.890 6.069 1.00 0.00 N ATOM 1875 CA MET A 124 -0.460 21.617 5.544 1.00 0.00 C ATOM 1876 C MET A 124 0.947 21.294 5.913 1.00 0.00 C ATOM 1877 O MET A 124 1.264 20.260 6.499 1.00 0.00 O ATOM 1878 CB MET A 124 -0.754 21.508 4.038 1.00 0.00 C ATOM 1879 CG MET A 124 -2.251 21.577 3.730 1.00 0.00 C ATOM 1880 SD MET A 124 -2.554 22.134 2.027 1.00 0.00 S ATOM 1881 CE MET A 124 -4.352 22.115 2.285 1.00 0.00 C ATOM 0 H MET A 124 -1.143 23.534 5.337 1.00 0.00 H new ATOM 0 HA MET A 124 -1.078 20.849 6.008 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.240 22.312 3.511 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.351 20.569 3.659 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.700 20.595 3.878 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.737 22.258 4.429 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.854 22.427 1.369 1.00 0.00 H new ATOM 0 HE2 MET A 124 -4.671 21.107 2.549 1.00 0.00 H new ATOM 0 HE3 MET A 124 -4.611 22.800 3.092 1.00 0.00 H new ATOM 1891 N ILE A 125 1.848 22.264 5.676 1.00 0.00 N ATOM 1892 CA ILE A 125 3.241 22.120 5.966 1.00 0.00 C ATOM 1893 C ILE A 125 3.457 22.074 7.440 1.00 0.00 C ATOM 1894 O ILE A 125 4.245 21.252 7.906 1.00 0.00 O ATOM 1895 CB ILE A 125 3.960 23.180 5.184 1.00 0.00 C ATOM 1896 CG1 ILE A 125 5.193 22.681 4.412 1.00 0.00 C ATOM 1897 CG2 ILE A 125 4.416 24.371 6.044 1.00 0.00 C ATOM 1898 CD1 ILE A 125 4.907 21.667 3.305 1.00 0.00 C ATOM 0 H ILE A 125 1.603 23.169 5.274 1.00 0.00 H new ATOM 0 HA ILE A 125 3.669 21.171 5.642 1.00 0.00 H new ATOM 0 HB ILE A 125 3.198 23.496 4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.698 23.541 3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.888 22.232 5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.928 25.099 5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.547 24.839 6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.096 24.020 6.820 1.00 0.00 H new ATOM 0 HD11 ILE A 125 5.842 21.380 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.434 20.784 3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.241 22.113 2.566 1.00 0.00 H new ATOM 1910 N ARG A 126 2.745 22.884 8.242 1.00 0.00 N ATOM 1911 CA ARG A 126 2.853 22.833 9.667 1.00 0.00 C ATOM 1912 C ARG A 126 2.510 21.517 10.276 1.00 0.00 C ATOM 1913 O ARG A 126 3.211 21.029 11.160 1.00 0.00 O ATOM 1914 CB ARG A 126 2.032 23.946 10.340 1.00 0.00 C ATOM 1915 CG ARG A 126 2.546 24.323 11.731 1.00 0.00 C ATOM 1916 CD ARG A 126 1.578 25.202 12.526 1.00 0.00 C ATOM 1917 NE ARG A 126 2.327 25.475 13.785 1.00 0.00 N ATOM 1918 CZ ARG A 126 1.997 24.948 15.000 1.00 0.00 C ATOM 1919 NH1 ARG A 126 0.845 24.243 15.198 1.00 0.00 N ATOM 1920 NH2 ARG A 126 2.814 25.217 16.059 1.00 0.00 N ATOM 0 H ARG A 126 2.086 23.583 7.898 1.00 0.00 H new ATOM 0 HA ARG A 126 3.915 22.990 9.857 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.044 24.831 9.704 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.994 23.624 10.419 1.00 0.00 H new ATOM 0 HG2 ARG A 126 2.743 23.412 12.296 1.00 0.00 H new ATOM 0 HG3 ARG A 126 3.497 24.846 11.628 1.00 0.00 H new ATOM 0 HD2 ARG A 126 1.337 26.122 11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 126 0.635 24.690 12.720 1.00 0.00 H new ATOM 0 HE ARG A 126 3.136 26.094 13.736 1.00 0.00 H new ATOM 0 HH11 ARG A 126 0.198 24.095 14.424 1.00 0.00 H new ATOM 0 HH12 ARG A 126 0.631 23.864 16.120 1.00 0.00 H new ATOM 0 HH21 ARG A 126 3.643 25.797 15.929 1.00 0.00 H new ATOM 0 HH22 ARG A 126 2.596 24.838 16.981 1.00 0.00 H new ATOM 1934 N GLU A 127 1.448 20.869 9.763 1.00 0.00 N ATOM 1935 CA GLU A 127 1.084 19.610 10.334 1.00 0.00 C ATOM 1936 C GLU A 127 1.908 18.466 9.852 1.00 0.00 C ATOM 1937 O GLU A 127 2.083 17.431 10.493 1.00 0.00 O ATOM 1938 CB GLU A 127 -0.373 19.347 9.919 1.00 0.00 C ATOM 1939 CG GLU A 127 -1.305 20.277 10.699 1.00 0.00 C ATOM 1940 CD GLU A 127 -1.440 20.045 12.197 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -0.603 20.639 12.927 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -2.382 19.369 12.690 1.00 0.00 O ATOM 0 H GLU A 127 0.867 21.196 8.991 1.00 0.00 H new ATOM 0 HA GLU A 127 1.236 19.673 11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.492 19.511 8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.635 18.307 10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.962 21.301 10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.299 20.205 10.257 1.00 0.00 H new ATOM 1949 N ALA A 128 2.578 18.625 8.696 1.00 0.00 N ATOM 1950 CA ALA A 128 3.384 17.535 8.239 1.00 0.00 C ATOM 1951 C ALA A 128 4.754 17.488 8.823 1.00 0.00 C ATOM 1952 O ALA A 128 5.242 16.387 9.077 1.00 0.00 O ATOM 1953 CB ALA A 128 3.556 17.673 6.717 1.00 0.00 C ATOM 0 H ALA A 128 2.567 19.457 8.106 1.00 0.00 H new ATOM 0 HA ALA A 128 2.866 16.627 8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.168 16.852 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.578 17.644 6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.044 18.621 6.490 1.00 0.00 H new ATOM 1959 N ASP A 129 5.287 18.693 9.092 1.00 0.00 N ATOM 1960 CA ASP A 129 6.594 18.887 9.640 1.00 0.00 C ATOM 1961 C ASP A 129 6.780 18.648 11.098 1.00 0.00 C ATOM 1962 O ASP A 129 6.083 19.237 11.923 1.00 0.00 O ATOM 1963 CB ASP A 129 7.175 20.231 9.169 1.00 0.00 C ATOM 1964 CG ASP A 129 8.463 20.630 9.874 1.00 0.00 C ATOM 1965 OD1 ASP A 129 9.431 19.830 9.772 1.00 0.00 O ATOM 1966 OD2 ASP A 129 8.593 21.674 10.569 1.00 0.00 O ATOM 0 H ASP A 129 4.788 19.566 8.921 1.00 0.00 H new ATOM 0 HA ASP A 129 7.179 18.065 9.228 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.361 20.179 8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 129 6.431 21.012 9.325 1.00 0.00 H new ATOM 1971 N ILE A 130 7.683 17.728 11.483 1.00 0.00 N ATOM 1972 CA ILE A 130 8.119 17.494 12.824 1.00 0.00 C ATOM 1973 C ILE A 130 9.297 18.288 13.274 1.00 0.00 C ATOM 1974 O ILE A 130 9.083 19.036 14.226 1.00 0.00 O ATOM 1975 CB ILE A 130 8.271 16.009 12.976 1.00 0.00 C ATOM 1976 CG1 ILE A 130 6.875 15.375 12.850 1.00 0.00 C ATOM 1977 CG2 ILE A 130 8.906 15.548 14.298 1.00 0.00 C ATOM 1978 CD1 ILE A 130 6.940 13.848 12.838 1.00 0.00 C ATOM 0 H ILE A 130 8.137 17.108 10.813 1.00 0.00 H new ATOM 0 HA ILE A 130 7.363 17.872 13.513 1.00 0.00 H new ATOM 0 HB ILE A 130 8.959 15.688 12.194 1.00 0.00 H new ATOM 0 HG12 ILE A 130 6.250 15.705 13.680 1.00 0.00 H new ATOM 0 HG13 ILE A 130 6.399 15.725 11.934 1.00 0.00 H new ATOM 0 HG21 ILE A 130 8.972 14.460 14.310 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.906 15.973 14.389 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.292 15.884 15.133 1.00 0.00 H new ATOM 0 HD11 ILE A 130 5.933 13.442 12.748 1.00 0.00 H new ATOM 0 HD12 ILE A 130 7.542 13.516 11.992 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.391 13.496 13.765 1.00 0.00 H new ATOM 1990 N ASP A 131 10.466 18.178 12.618 1.00 0.00 N ATOM 1991 CA ASP A 131 11.679 18.779 13.080 1.00 0.00 C ATOM 1992 C ASP A 131 11.824 20.226 12.753 1.00 0.00 C ATOM 1993 O ASP A 131 12.861 20.884 12.806 1.00 0.00 O ATOM 1994 CB ASP A 131 12.875 17.857 12.789 1.00 0.00 C ATOM 1995 CG ASP A 131 13.229 17.677 11.320 1.00 0.00 C ATOM 1996 OD1 ASP A 131 12.814 18.567 10.530 1.00 0.00 O ATOM 1997 OD2 ASP A 131 13.891 16.643 11.041 1.00 0.00 O ATOM 0 H ASP A 131 10.571 17.659 11.746 1.00 0.00 H new ATOM 0 HA ASP A 131 11.639 18.852 14.167 1.00 0.00 H new ATOM 0 HB2 ASP A 131 13.749 18.251 13.308 1.00 0.00 H new ATOM 0 HB3 ASP A 131 12.666 16.876 13.216 1.00 0.00 H new ATOM 2002 N GLY A 132 10.784 21.007 12.411 1.00 0.00 N ATOM 2003 CA GLY A 132 10.790 22.384 12.798 1.00 0.00 C ATOM 2004 C GLY A 132 11.301 23.330 11.767 1.00 0.00 C ATOM 2005 O GLY A 132 11.309 24.545 11.954 1.00 0.00 O ATOM 0 H GLY A 132 9.966 20.700 11.885 1.00 0.00 H new ATOM 0 HA2 GLY A 132 9.774 22.675 13.063 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.397 22.490 13.697 1.00 0.00 H new ATOM 2009 N ASP A 133 11.637 22.833 10.563 1.00 0.00 N ATOM 2010 CA ASP A 133 12.363 23.607 9.604 1.00 0.00 C ATOM 2011 C ASP A 133 11.391 24.080 8.579 1.00 0.00 C ATOM 2012 O ASP A 133 11.584 24.954 7.736 1.00 0.00 O ATOM 2013 CB ASP A 133 13.570 22.837 9.041 1.00 0.00 C ATOM 2014 CG ASP A 133 13.262 21.460 8.470 1.00 0.00 C ATOM 2015 OD1 ASP A 133 12.085 21.024 8.586 1.00 0.00 O ATOM 2016 OD2 ASP A 133 14.201 20.752 8.018 1.00 0.00 O ATOM 0 H ASP A 133 11.404 21.890 10.252 1.00 0.00 H new ATOM 0 HA ASP A 133 12.817 24.483 10.068 1.00 0.00 H new ATOM 0 HB2 ASP A 133 14.031 23.440 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 133 14.309 22.725 9.834 1.00 0.00 H new ATOM 2021 N GLY A 134 10.209 23.438 8.617 1.00 0.00 N ATOM 2022 CA GLY A 134 9.149 23.800 7.728 1.00 0.00 C ATOM 2023 C GLY A 134 9.258 23.103 6.416 1.00 0.00 C ATOM 2024 O GLY A 134 8.423 23.332 5.543 1.00 0.00 O ATOM 0 H GLY A 134 9.989 22.675 9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 134 8.191 23.558 8.189 1.00 0.00 H new ATOM 0 HA3 GLY A 134 9.162 24.878 7.568 1.00 0.00 H new ATOM 2028 N GLN A 135 10.266 22.234 6.226 1.00 0.00 N ATOM 2029 CA GLN A 135 10.532 21.358 5.127 1.00 0.00 C ATOM 2030 C GLN A 135 10.167 19.948 5.441 1.00 0.00 C ATOM 2031 O GLN A 135 10.623 19.422 6.456 1.00 0.00 O ATOM 2032 CB GLN A 135 11.957 21.541 4.580 1.00 0.00 C ATOM 2033 CG GLN A 135 12.123 22.902 3.902 1.00 0.00 C ATOM 2034 CD GLN A 135 13.401 22.942 3.077 1.00 0.00 C ATOM 2035 OE1 GLN A 135 13.379 22.636 1.886 1.00 0.00 O ATOM 2036 NE2 GLN A 135 14.592 23.246 3.659 1.00 0.00 N ATOM 0 H GLN A 135 10.987 22.136 6.940 1.00 0.00 H new ATOM 0 HA GLN A 135 9.877 21.642 4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 135 12.676 21.448 5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 135 12.179 20.748 3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 135 11.264 23.101 3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 135 12.147 23.689 4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 135 14.627 23.502 4.646 1.00 0.00 H new ATOM 0 HE22 GLN A 135 15.450 23.218 3.109 1.00 0.00 H new ATOM 2045 N VAL A 136 9.383 19.340 4.533 1.00 0.00 N ATOM 2046 CA VAL A 136 8.774 18.127 4.986 1.00 0.00 C ATOM 2047 C VAL A 136 9.502 16.973 4.389 1.00 0.00 C ATOM 2048 O VAL A 136 9.604 16.874 3.167 1.00 0.00 O ATOM 2049 CB VAL A 136 7.343 18.097 4.537 1.00 0.00 C ATOM 2050 CG1 VAL A 136 6.670 16.745 4.827 1.00 0.00 C ATOM 2051 CG2 VAL A 136 6.596 19.169 5.349 1.00 0.00 C ATOM 0 H VAL A 136 9.183 19.645 3.581 1.00 0.00 H new ATOM 0 HA VAL A 136 8.816 18.070 6.074 1.00 0.00 H new ATOM 0 HB VAL A 136 7.310 18.269 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 136 5.636 16.772 4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.205 15.953 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.692 16.550 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 136 5.547 19.183 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 136 6.672 18.939 6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 136 7.040 20.146 5.157 1.00 0.00 H new ATOM 2061 N ASN A 137 10.166 16.204 5.271 1.00 0.00 N ATOM 2062 CA ASN A 137 11.098 15.236 4.782 1.00 0.00 C ATOM 2063 C ASN A 137 10.302 13.986 4.622 1.00 0.00 C ATOM 2064 O ASN A 137 9.113 13.964 4.936 1.00 0.00 O ATOM 2065 CB ASN A 137 12.231 15.088 5.812 1.00 0.00 C ATOM 2066 CG ASN A 137 13.430 14.331 5.257 1.00 0.00 C ATOM 2067 OD1 ASN A 137 13.632 13.980 4.096 1.00 0.00 O ATOM 2068 ND2 ASN A 137 14.327 14.055 6.241 1.00 0.00 N ATOM 0 H ASN A 137 10.065 16.247 6.285 1.00 0.00 H new ATOM 0 HA ASN A 137 11.568 15.506 3.836 1.00 0.00 H new ATOM 0 HB2 ASN A 137 12.550 16.077 6.140 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.852 14.567 6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 137 15.185 13.549 6.022 1.00 0.00 H new ATOM 0 HD22 ASN A 137 14.142 14.354 7.198 1.00 0.00 H new ATOM 2075 N TYR A 138 11.015 12.946 4.155 1.00 0.00 N ATOM 2076 CA TYR A 138 10.405 11.684 3.874 1.00 0.00 C ATOM 2077 C TYR A 138 9.857 10.930 5.036 1.00 0.00 C ATOM 2078 O TYR A 138 8.740 10.419 4.974 1.00 0.00 O ATOM 2079 CB TYR A 138 11.463 10.912 3.067 1.00 0.00 C ATOM 2080 CG TYR A 138 10.883 9.716 2.395 1.00 0.00 C ATOM 2081 CD1 TYR A 138 10.186 9.862 1.218 1.00 0.00 C ATOM 2082 CD2 TYR A 138 10.974 8.506 3.041 1.00 0.00 C ATOM 2083 CE1 TYR A 138 9.456 8.759 0.842 1.00 0.00 C ATOM 2084 CE2 TYR A 138 10.313 7.385 2.596 1.00 0.00 C ATOM 2085 CZ TYR A 138 9.560 7.533 1.455 1.00 0.00 C ATOM 2086 OH TYR A 138 8.831 6.458 0.904 1.00 0.00 O ATOM 0 H TYR A 138 12.018 12.980 3.971 1.00 0.00 H new ATOM 0 HA TYR A 138 9.482 11.839 3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 138 11.902 11.572 2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 138 12.270 10.601 3.730 1.00 0.00 H new ATOM 0 HD1 TYR A 138 10.210 10.771 0.635 1.00 0.00 H new ATOM 0 HD2 TYR A 138 11.585 8.433 3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 138 8.763 8.862 0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 138 10.382 6.440 3.114 1.00 0.00 H new ATOM 0 HH TYR A 138 8.993 5.648 1.431 1.00 0.00 H new ATOM 2096 N GLU A 139 10.584 10.956 6.168 1.00 0.00 N ATOM 2097 CA GLU A 139 10.070 10.295 7.328 1.00 0.00 C ATOM 2098 C GLU A 139 8.844 10.973 7.835 1.00 0.00 C ATOM 2099 O GLU A 139 7.899 10.278 8.205 1.00 0.00 O ATOM 2100 CB GLU A 139 11.120 10.196 8.448 1.00 0.00 C ATOM 2101 CG GLU A 139 10.830 9.202 9.574 1.00 0.00 C ATOM 2102 CD GLU A 139 10.980 7.759 9.115 1.00 0.00 C ATOM 2103 OE1 GLU A 139 10.104 7.183 8.416 1.00 0.00 O ATOM 2104 OE2 GLU A 139 12.007 7.121 9.469 1.00 0.00 O ATOM 0 H GLU A 139 11.489 11.413 6.281 1.00 0.00 H new ATOM 0 HA GLU A 139 9.810 9.282 7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 139 12.076 9.930 7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 139 11.241 11.185 8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.508 9.390 10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 139 9.818 9.361 9.945 1.00 0.00 H new ATOM 2111 N GLU A 140 8.784 12.314 7.747 1.00 0.00 N ATOM 2112 CA GLU A 140 7.734 13.144 8.250 1.00 0.00 C ATOM 2113 C GLU A 140 6.455 12.978 7.503 1.00 0.00 C ATOM 2114 O GLU A 140 5.406 13.082 8.137 1.00 0.00 O ATOM 2115 CB GLU A 140 8.094 14.636 8.151 1.00 0.00 C ATOM 2116 CG GLU A 140 9.364 14.885 8.967 1.00 0.00 C ATOM 2117 CD GLU A 140 9.786 16.346 9.023 1.00 0.00 C ATOM 2118 OE1 GLU A 140 9.941 16.998 7.956 1.00 0.00 O ATOM 2119 OE2 GLU A 140 10.178 16.855 10.107 1.00 0.00 O ATOM 0 H GLU A 140 9.520 12.854 7.293 1.00 0.00 H new ATOM 0 HA GLU A 140 7.609 12.830 9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 140 8.251 14.919 7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.275 15.249 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 140 9.208 14.523 9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 140 10.178 14.298 8.542 1.00 0.00 H new ATOM 2126 N PHE A 141 6.542 12.658 6.199 1.00 0.00 N ATOM 2127 CA PHE A 141 5.482 12.529 5.248 1.00 0.00 C ATOM 2128 C PHE A 141 4.907 11.163 5.399 1.00 0.00 C ATOM 2129 O PHE A 141 3.715 10.996 5.655 1.00 0.00 O ATOM 2130 CB PHE A 141 5.884 12.833 3.795 1.00 0.00 C ATOM 2131 CG PHE A 141 4.821 12.779 2.752 1.00 0.00 C ATOM 2132 CD1 PHE A 141 4.121 13.895 2.358 1.00 0.00 C ATOM 2133 CD2 PHE A 141 4.714 11.668 1.949 1.00 0.00 C ATOM 2134 CE1 PHE A 141 3.445 13.891 1.161 1.00 0.00 C ATOM 2135 CE2 PHE A 141 3.960 11.584 0.803 1.00 0.00 C ATOM 2136 CZ PHE A 141 3.321 12.740 0.419 1.00 0.00 C ATOM 0 H PHE A 141 7.449 12.471 5.770 1.00 0.00 H new ATOM 0 HA PHE A 141 4.734 13.292 5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 141 6.325 13.829 3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.668 12.131 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 141 4.102 14.772 2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 141 5.268 10.789 2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.004 14.807 0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 141 3.874 10.667 0.239 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.715 12.744 -0.475 1.00 0.00 H new ATOM 2146 N VAL A 142 5.775 10.140 5.314 1.00 0.00 N ATOM 2147 CA VAL A 142 5.417 8.771 5.521 1.00 0.00 C ATOM 2148 C VAL A 142 4.820 8.489 6.856 1.00 0.00 C ATOM 2149 O VAL A 142 3.838 7.761 6.994 1.00 0.00 O ATOM 2150 CB VAL A 142 6.622 7.916 5.262 1.00 0.00 C ATOM 2151 CG1 VAL A 142 6.444 6.459 5.719 1.00 0.00 C ATOM 2152 CG2 VAL A 142 6.813 7.908 3.736 1.00 0.00 C ATOM 0 H VAL A 142 6.762 10.270 5.093 1.00 0.00 H new ATOM 0 HA VAL A 142 4.622 8.530 4.816 1.00 0.00 H new ATOM 0 HB VAL A 142 7.467 8.323 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.352 5.896 5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 142 6.250 6.435 6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 142 5.604 6.011 5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 142 7.680 7.299 3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.925 7.492 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 142 6.970 8.927 3.384 1.00 0.00 H new ATOM 2162 N GLN A 143 5.339 9.091 7.941 1.00 0.00 N ATOM 2163 CA GLN A 143 4.656 9.019 9.196 1.00 0.00 C ATOM 2164 C GLN A 143 3.317 9.672 9.242 1.00 0.00 C ATOM 2165 O GLN A 143 2.412 9.164 9.902 1.00 0.00 O ATOM 2166 CB GLN A 143 5.487 9.664 10.318 1.00 0.00 C ATOM 2167 CG GLN A 143 5.088 9.583 11.793 1.00 0.00 C ATOM 2168 CD GLN A 143 4.852 8.145 12.232 1.00 0.00 C ATOM 2169 OE1 GLN A 143 5.850 7.510 12.570 1.00 0.00 O ATOM 2170 NE2 GLN A 143 3.591 7.672 12.422 1.00 0.00 N ATOM 0 H GLN A 143 6.213 9.617 7.952 1.00 0.00 H new ATOM 0 HA GLN A 143 4.515 7.947 9.334 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.490 9.243 10.244 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.567 10.724 10.075 1.00 0.00 H new ATOM 0 HG2 GLN A 143 5.871 10.028 12.407 1.00 0.00 H new ATOM 0 HG3 GLN A 143 4.183 10.168 11.958 1.00 0.00 H new ATOM 0 HE21 GLN A 143 2.788 8.228 12.128 1.00 0.00 H new ATOM 0 HE22 GLN A 143 3.448 6.761 12.858 1.00 0.00 H new ATOM 2179 N MET A 144 3.077 10.765 8.496 1.00 0.00 N ATOM 2180 CA MET A 144 1.757 11.311 8.422 1.00 0.00 C ATOM 2181 C MET A 144 0.798 10.508 7.613 1.00 0.00 C ATOM 2182 O MET A 144 -0.418 10.664 7.712 1.00 0.00 O ATOM 2183 CB MET A 144 1.907 12.723 7.833 1.00 0.00 C ATOM 2184 CG MET A 144 0.693 13.504 7.324 1.00 0.00 C ATOM 2185 SD MET A 144 1.100 15.074 6.503 1.00 0.00 S ATOM 2186 CE MET A 144 1.498 14.404 4.863 1.00 0.00 C ATOM 0 H MET A 144 3.782 11.263 7.953 1.00 0.00 H new ATOM 0 HA MET A 144 1.326 11.314 9.423 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.383 13.337 8.597 1.00 0.00 H new ATOM 0 HB3 MET A 144 2.608 12.648 7.002 1.00 0.00 H new ATOM 0 HG2 MET A 144 0.139 12.876 6.626 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.030 13.709 8.164 1.00 0.00 H new ATOM 0 HE1 MET A 144 1.761 15.220 4.191 1.00 0.00 H new ATOM 0 HE2 MET A 144 2.339 13.716 4.945 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.632 13.873 4.467 1.00 0.00 H new ATOM 2196 N MET A 145 1.299 9.583 6.774 1.00 0.00 N ATOM 2197 CA MET A 145 0.593 8.631 5.974 1.00 0.00 C ATOM 2198 C MET A 145 0.195 7.443 6.782 1.00 0.00 C ATOM 2199 O MET A 145 -0.836 6.847 6.476 1.00 0.00 O ATOM 2200 CB MET A 145 1.423 8.213 4.749 1.00 0.00 C ATOM 2201 CG MET A 145 1.188 9.333 3.733 1.00 0.00 C ATOM 2202 SD MET A 145 1.953 9.112 2.098 1.00 0.00 S ATOM 2203 CE MET A 145 0.578 8.062 1.547 1.00 0.00 C ATOM 0 H MET A 145 2.307 9.496 6.645 1.00 0.00 H new ATOM 0 HA MET A 145 -0.317 9.109 5.612 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.480 8.117 4.998 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.099 7.248 4.359 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.113 9.449 3.595 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.557 10.265 4.160 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.718 7.800 0.498 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.551 7.153 2.148 1.00 0.00 H new ATOM 0 HE3 MET A 145 -0.362 8.602 1.663 1.00 0.00 H new