USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 855 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 73 TYR OH : rot -90:sc= -0.0621 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 146:sc= 0.505 (180deg=0.0768) USER MOD Set 2.1: A 66 SER OG : rot -56:sc= 0.189 USER MOD Set 2.2: A 93 MET CE :methyl -178:sc= -3.96! (180deg=-4.27!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -32:sc= 0.526 USER MOD Single : A 20 ASN : amide:sc= -0.74 K(o=-0.74,f=-1.6) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.000358 X(o=-0.00036,f=-0.14) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 45:sc= 0.0512 USER MOD Single : A 46 ASN : amide:sc= -2.62! K(o=-2.6!,f=-1.5) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 116:sc= -0.036 USER MOD Single : A 60 TYR OH : rot -150:sc= -1.47 USER MOD Single : A 65 SER OG : rot 81:sc= 0.873 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0282) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.789 K(o=-0.79,f=-1.4) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 175:sc= -1.4 USER MOD Single : A 96 HIS : no HD1:sc= -4.12! C(o=-4.1!,f=-4.1!) USER MOD Single : A 100 GLN : amide:sc= -0.351 K(o=-0.35,f=-2.5!) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.127 USER MOD Single : A 104 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.7) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 60:sc= -1.54 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 118 THR OG1 : rot 161:sc= 0.399 USER MOD Single : A 120 SER OG : rot -90:sc= -5.06! USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 9.684 -24.737 -6.432 1.00 0.00 N ATOM 67 CA ASP A 8 9.655 -23.668 -5.441 1.00 0.00 C ATOM 68 C ASP A 8 10.528 -22.496 -5.881 1.00 0.00 C ATOM 69 O ASP A 8 10.257 -21.346 -5.537 1.00 0.00 O ATOM 70 CB ASP A 8 10.125 -24.189 -4.083 1.00 0.00 C ATOM 71 CG ASP A 8 9.480 -23.451 -2.925 1.00 0.00 C ATOM 72 OD1 ASP A 8 9.979 -22.365 -2.562 1.00 0.00 O ATOM 73 OD2 ASP A 8 8.477 -23.959 -2.383 1.00 0.00 O ATOM 0 HA ASP A 8 8.627 -23.318 -5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.896 -25.252 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.208 -24.091 -4.014 1.00 0.00 H new ATOM 78 N GLU A 9 11.576 -22.798 -6.641 1.00 0.00 N ATOM 79 CA GLU A 9 12.489 -21.770 -7.124 1.00 0.00 C ATOM 80 C GLU A 9 11.731 -20.499 -7.494 1.00 0.00 C ATOM 81 O GLU A 9 12.159 -19.392 -7.169 1.00 0.00 O ATOM 82 CB GLU A 9 13.272 -22.281 -8.336 1.00 0.00 C ATOM 83 CG GLU A 9 14.264 -23.381 -8.000 1.00 0.00 C ATOM 84 CD GLU A 9 15.254 -22.966 -6.928 1.00 0.00 C ATOM 85 OE1 GLU A 9 15.679 -21.792 -6.934 1.00 0.00 O ATOM 86 OE2 GLU A 9 15.603 -23.817 -6.083 1.00 0.00 O ATOM 0 H GLU A 9 11.813 -23.745 -6.935 1.00 0.00 H new ATOM 0 HA GLU A 9 13.188 -21.535 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.569 -22.653 -9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.807 -21.447 -8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.721 -24.265 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.807 -23.663 -8.902 1.00 0.00 H new ATOM 93 N GLU A 10 10.603 -20.667 -8.177 1.00 0.00 N ATOM 94 CA GLU A 10 9.785 -19.533 -8.593 1.00 0.00 C ATOM 95 C GLU A 10 9.060 -18.919 -7.399 1.00 0.00 C ATOM 96 O GLU A 10 8.902 -17.701 -7.313 1.00 0.00 O ATOM 97 CB GLU A 10 8.770 -19.969 -9.651 1.00 0.00 C ATOM 98 CG GLU A 10 9.289 -19.857 -11.075 1.00 0.00 C ATOM 99 CD GLU A 10 9.014 -18.499 -11.692 1.00 0.00 C ATOM 100 OE1 GLU A 10 9.441 -17.484 -11.104 1.00 0.00 O ATOM 101 OE2 GLU A 10 8.372 -18.452 -12.761 1.00 0.00 O ATOM 0 H GLU A 10 10.235 -21.577 -8.454 1.00 0.00 H new ATOM 0 HA GLU A 10 10.445 -18.779 -9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.479 -21.002 -9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.871 -19.361 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.363 -20.044 -11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.827 -20.631 -11.688 1.00 0.00 H new ATOM 108 N THR A 11 8.619 -19.772 -6.479 1.00 0.00 N ATOM 109 CA THR A 11 7.909 -19.315 -5.291 1.00 0.00 C ATOM 110 C THR A 11 8.804 -18.445 -4.416 1.00 0.00 C ATOM 111 O THR A 11 8.356 -17.449 -3.847 1.00 0.00 O ATOM 112 CB THR A 11 7.391 -20.501 -4.456 1.00 0.00 C ATOM 113 OG1 THR A 11 6.482 -21.288 -5.234 1.00 0.00 O ATOM 114 CG2 THR A 11 6.694 -20.011 -3.195 1.00 0.00 C ATOM 0 H THR A 11 8.741 -20.783 -6.534 1.00 0.00 H new ATOM 0 HA THR A 11 7.060 -18.725 -5.637 1.00 0.00 H new ATOM 0 HB THR A 11 8.245 -21.113 -4.166 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.159 -22.041 -4.697 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.337 -20.866 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.396 -19.437 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.849 -19.379 -3.468 1.00 0.00 H new ATOM 122 N LYS A 12 10.073 -18.826 -4.312 1.00 0.00 N ATOM 123 CA LYS A 12 11.033 -18.079 -3.508 1.00 0.00 C ATOM 124 C LYS A 12 11.216 -16.666 -4.051 1.00 0.00 C ATOM 125 O LYS A 12 11.159 -15.691 -3.303 1.00 0.00 O ATOM 126 CB LYS A 12 12.380 -18.805 -3.481 1.00 0.00 C ATOM 127 CG LYS A 12 12.368 -20.081 -2.658 1.00 0.00 C ATOM 128 CD LYS A 12 13.775 -20.598 -2.408 1.00 0.00 C ATOM 129 CE LYS A 12 13.759 -22.026 -1.886 1.00 0.00 C ATOM 130 NZ LYS A 12 15.004 -22.357 -1.138 1.00 0.00 N ATOM 0 H LYS A 12 10.460 -19.648 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 12 10.643 -18.011 -2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.674 -19.045 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.138 -18.132 -3.081 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.873 -19.895 -1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.786 -20.843 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.350 -20.554 -3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.279 -19.952 -1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.896 -22.165 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.642 -22.717 -2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.954 -23.339 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.826 -22.249 -1.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.102 -21.715 -0.326 1.00 0.00 H new ATOM 144 N ALA A 13 11.435 -16.563 -5.358 1.00 0.00 N ATOM 145 CA ALA A 13 11.622 -15.268 -6.002 1.00 0.00 C ATOM 146 C ALA A 13 10.432 -14.350 -5.745 1.00 0.00 C ATOM 147 O ALA A 13 10.584 -13.133 -5.645 1.00 0.00 O ATOM 148 CB ALA A 13 11.839 -15.449 -7.497 1.00 0.00 C ATOM 0 H ALA A 13 11.487 -17.361 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 13 12.507 -14.800 -5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.977 -14.474 -7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.725 -16.061 -7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.970 -15.941 -7.934 1.00 0.00 H new ATOM 154 N PHE A 14 9.246 -14.942 -5.639 1.00 0.00 N ATOM 155 CA PHE A 14 8.029 -14.176 -5.396 1.00 0.00 C ATOM 156 C PHE A 14 7.964 -13.706 -3.945 1.00 0.00 C ATOM 157 O PHE A 14 7.456 -12.623 -3.656 1.00 0.00 O ATOM 158 CB PHE A 14 6.796 -15.020 -5.726 1.00 0.00 C ATOM 159 CG PHE A 14 6.341 -14.884 -7.151 1.00 0.00 C ATOM 160 CD1 PHE A 14 5.819 -13.686 -7.614 1.00 0.00 C ATOM 161 CD2 PHE A 14 6.435 -15.952 -8.027 1.00 0.00 C ATOM 162 CE1 PHE A 14 5.399 -13.559 -8.924 1.00 0.00 C ATOM 163 CE2 PHE A 14 6.017 -15.830 -9.339 1.00 0.00 C ATOM 164 CZ PHE A 14 5.499 -14.632 -9.788 1.00 0.00 C ATOM 0 H PHE A 14 9.102 -15.949 -5.718 1.00 0.00 H new ATOM 0 HA PHE A 14 8.045 -13.299 -6.044 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.017 -16.068 -5.522 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.980 -14.732 -5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.740 -12.843 -6.943 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.840 -16.892 -7.681 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.993 -12.621 -9.272 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.096 -16.671 -10.012 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.173 -14.534 -10.813 1.00 0.00 H new ATOM 174 N GLU A 15 8.480 -14.529 -3.038 1.00 0.00 N ATOM 175 CA GLU A 15 8.479 -14.198 -1.618 1.00 0.00 C ATOM 176 C GLU A 15 9.330 -12.960 -1.348 1.00 0.00 C ATOM 177 O GLU A 15 9.044 -12.185 -0.436 1.00 0.00 O ATOM 178 CB GLU A 15 9.000 -15.378 -0.796 1.00 0.00 C ATOM 179 CG GLU A 15 8.061 -16.573 -0.783 1.00 0.00 C ATOM 180 CD GLU A 15 8.232 -17.436 0.452 1.00 0.00 C ATOM 181 OE1 GLU A 15 9.302 -17.351 1.090 1.00 0.00 O ATOM 182 OE2 GLU A 15 7.296 -18.195 0.780 1.00 0.00 O ATOM 0 H GLU A 15 8.904 -15.430 -3.261 1.00 0.00 H new ATOM 0 HA GLU A 15 7.452 -13.984 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.965 -15.690 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.170 -15.049 0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.031 -16.221 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.237 -17.179 -1.672 1.00 0.00 H new ATOM 189 N ALA A 16 10.377 -12.783 -2.146 1.00 0.00 N ATOM 190 CA ALA A 16 11.269 -11.640 -1.995 1.00 0.00 C ATOM 191 C ALA A 16 10.837 -10.484 -2.891 1.00 0.00 C ATOM 192 O ALA A 16 10.770 -9.336 -2.451 1.00 0.00 O ATOM 193 CB ALA A 16 12.703 -12.044 -2.305 1.00 0.00 C ATOM 0 H ALA A 16 10.629 -13.417 -2.904 1.00 0.00 H new ATOM 0 HA ALA A 16 11.214 -11.303 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.358 -11.180 -2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.015 -12.832 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.764 -12.410 -3.330 1.00 0.00 H new ATOM 199 N LEU A 17 10.547 -10.794 -4.150 1.00 0.00 N ATOM 200 CA LEU A 17 10.122 -9.781 -5.109 1.00 0.00 C ATOM 201 C LEU A 17 8.857 -9.075 -4.631 1.00 0.00 C ATOM 202 O LEU A 17 8.814 -7.847 -4.542 1.00 0.00 O ATOM 203 CB LEU A 17 9.879 -10.417 -6.479 1.00 0.00 C ATOM 204 CG LEU A 17 8.992 -9.623 -7.439 1.00 0.00 C ATOM 205 CD1 LEU A 17 9.789 -8.517 -8.112 1.00 0.00 C ATOM 206 CD2 LEU A 17 8.374 -10.546 -8.480 1.00 0.00 C ATOM 0 H LEU A 17 10.599 -11.739 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 17 10.918 -9.041 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.844 -10.580 -6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.429 -11.398 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 17 8.187 -9.164 -6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.141 -7.963 -8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.184 -7.840 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.615 -8.954 -8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.746 -9.964 -9.155 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.165 -11.033 -9.050 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.768 -11.302 -7.982 1.00 0.00 H new ATOM 218 N LEU A 18 7.829 -9.859 -4.323 1.00 0.00 N ATOM 219 CA LEU A 18 6.563 -9.310 -3.852 1.00 0.00 C ATOM 220 C LEU A 18 6.769 -8.461 -2.601 1.00 0.00 C ATOM 221 O LEU A 18 5.972 -7.572 -2.304 1.00 0.00 O ATOM 222 CB LEU A 18 5.572 -10.438 -3.559 1.00 0.00 C ATOM 223 CG LEU A 18 5.112 -11.257 -4.766 1.00 0.00 C ATOM 224 CD1 LEU A 18 4.447 -12.547 -4.313 1.00 0.00 C ATOM 225 CD2 LEU A 18 4.163 -10.442 -5.632 1.00 0.00 C ATOM 0 H LEU A 18 7.848 -10.877 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 18 6.157 -8.673 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.027 -11.116 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.692 -10.007 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 18 5.988 -11.513 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.126 -13.117 -5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.157 -13.138 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.581 -12.312 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.846 -11.040 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.290 -10.156 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.672 -9.546 -5.986 1.00 0.00 H new ATOM 237 N SER A 19 7.845 -8.742 -1.873 1.00 0.00 N ATOM 238 CA SER A 19 8.156 -8.005 -0.653 1.00 0.00 C ATOM 239 C SER A 19 9.309 -7.033 -0.884 1.00 0.00 C ATOM 240 O SER A 19 10.068 -6.725 0.033 1.00 0.00 O ATOM 241 CB SER A 19 8.509 -8.975 0.477 1.00 0.00 C ATOM 242 OG SER A 19 9.840 -9.443 0.349 1.00 0.00 O ATOM 0 H SER A 19 8.516 -9.474 -2.106 1.00 0.00 H new ATOM 0 HA SER A 19 7.273 -7.432 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.386 -8.478 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.820 -9.820 0.464 1.00 0.00 H new ATOM 0 HG SER A 19 10.077 -9.501 -0.600 1.00 0.00 H new ATOM 248 N ASN A 20 9.432 -6.554 -2.117 1.00 0.00 N ATOM 249 CA ASN A 20 10.492 -5.617 -2.471 1.00 0.00 C ATOM 250 C ASN A 20 9.910 -4.315 -3.014 1.00 0.00 C ATOM 251 O ASN A 20 10.566 -3.597 -3.768 1.00 0.00 O ATOM 252 CB ASN A 20 11.429 -6.241 -3.507 1.00 0.00 C ATOM 253 CG ASN A 20 12.838 -5.686 -3.421 1.00 0.00 C ATOM 254 OD1 ASN A 20 13.104 -4.751 -2.667 1.00 0.00 O ATOM 255 ND2 ASN A 20 13.748 -6.263 -4.197 1.00 0.00 N ATOM 0 H ASN A 20 8.811 -6.799 -2.888 1.00 0.00 H new ATOM 0 HA ASN A 20 11.059 -5.392 -1.568 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.457 -7.321 -3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.032 -6.063 -4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.713 -5.933 -4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.482 -7.036 -4.807 1.00 0.00 H new ATOM 262 N ILE A 21 8.674 -4.019 -2.625 1.00 0.00 N ATOM 263 CA ILE A 21 8.004 -2.804 -3.072 1.00 0.00 C ATOM 264 C ILE A 21 8.264 -1.648 -2.111 1.00 0.00 C ATOM 265 O ILE A 21 8.907 -1.820 -1.075 1.00 0.00 O ATOM 266 CB ILE A 21 6.484 -3.015 -3.204 1.00 0.00 C ATOM 267 CG1 ILE A 21 5.802 -2.831 -1.847 1.00 0.00 C ATOM 268 CG2 ILE A 21 6.189 -4.397 -3.768 1.00 0.00 C ATOM 269 CD1 ILE A 21 6.277 -3.807 -0.794 1.00 0.00 C ATOM 0 H ILE A 21 8.117 -4.604 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 21 8.415 -2.559 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 21 6.087 -2.270 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.980 -1.815 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.725 -2.941 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.111 -4.532 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.648 -4.494 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.597 -5.157 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.751 -3.618 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.075 -4.826 -1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.349 -3.682 -0.639 1.00 0.00 H new ATOM 281 N VAL A 22 7.757 -0.470 -2.460 1.00 0.00 N ATOM 282 CA VAL A 22 7.931 0.714 -1.628 1.00 0.00 C ATOM 283 C VAL A 22 6.604 1.161 -1.025 1.00 0.00 C ATOM 284 O VAL A 22 5.586 1.224 -1.713 1.00 0.00 O ATOM 285 CB VAL A 22 8.536 1.881 -2.431 1.00 0.00 C ATOM 286 CG1 VAL A 22 8.705 3.107 -1.548 1.00 0.00 C ATOM 287 CG2 VAL A 22 9.865 1.470 -3.047 1.00 0.00 C ATOM 0 H VAL A 22 7.222 -0.310 -3.314 1.00 0.00 H new ATOM 0 HA VAL A 22 8.617 0.440 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 22 7.850 2.137 -3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.134 3.921 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.733 3.412 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.369 2.868 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.279 2.306 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.560 1.186 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.710 0.623 -3.715 1.00 0.00 H new ATOM 297 N LYS A 23 6.623 1.473 0.267 1.00 0.00 N ATOM 298 CA LYS A 23 5.423 1.917 0.965 1.00 0.00 C ATOM 299 C LYS A 23 4.670 2.959 0.145 1.00 0.00 C ATOM 300 O LYS A 23 5.264 3.795 -0.537 1.00 0.00 O ATOM 301 CB LYS A 23 5.789 2.496 2.334 1.00 0.00 C ATOM 302 CG LYS A 23 6.156 3.969 2.292 1.00 0.00 C ATOM 303 CD LYS A 23 6.285 4.551 3.690 1.00 0.00 C ATOM 304 CE LYS A 23 6.836 5.969 3.654 1.00 0.00 C ATOM 305 NZ LYS A 23 6.331 6.788 4.791 1.00 0.00 N ATOM 0 H LYS A 23 7.457 1.426 0.852 1.00 0.00 H new ATOM 0 HA LYS A 23 4.774 1.053 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.948 2.359 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.627 1.933 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.097 4.096 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.396 4.519 1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.310 4.551 4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.941 3.920 4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.925 5.937 3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.558 6.443 2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.729 7.747 4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.293 6.840 4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.618 6.349 5.689 1.00 0.00 H new ATOM 319 N PRO A 24 3.332 2.913 0.212 1.00 0.00 N ATOM 320 CA PRO A 24 2.469 3.848 -0.517 1.00 0.00 C ATOM 321 C PRO A 24 2.546 5.264 0.043 1.00 0.00 C ATOM 322 O PRO A 24 2.960 5.469 1.184 1.00 0.00 O ATOM 323 CB PRO A 24 1.067 3.268 -0.316 1.00 0.00 C ATOM 324 CG PRO A 24 1.157 2.492 0.953 1.00 0.00 C ATOM 325 CD PRO A 24 2.556 1.944 1.005 1.00 0.00 C ATOM 0 HA PRO A 24 2.760 3.940 -1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.318 4.057 -0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.779 2.629 -1.151 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.955 3.128 1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.422 1.687 0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.923 1.877 2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.611 0.942 0.580 1.00 0.00 H new ATOM 333 N VAL A 25 2.144 6.239 -0.767 1.00 0.00 N ATOM 334 CA VAL A 25 2.166 7.636 -0.351 1.00 0.00 C ATOM 335 C VAL A 25 0.828 8.312 -0.627 1.00 0.00 C ATOM 336 O VAL A 25 0.228 8.116 -1.684 1.00 0.00 O ATOM 337 CB VAL A 25 3.282 8.418 -1.068 1.00 0.00 C ATOM 338 CG1 VAL A 25 3.033 9.915 -0.969 1.00 0.00 C ATOM 339 CG2 VAL A 25 4.642 8.055 -0.491 1.00 0.00 C ATOM 0 H VAL A 25 1.799 6.087 -1.715 1.00 0.00 H new ATOM 0 HA VAL A 25 2.359 7.644 0.722 1.00 0.00 H new ATOM 0 HB VAL A 25 3.276 8.142 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.832 10.451 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.077 10.156 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.011 10.212 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.419 8.617 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.664 8.300 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.819 6.987 -0.620 1.00 0.00 H new ATOM 349 N ALA A 26 0.365 9.110 0.330 1.00 0.00 N ATOM 350 CA ALA A 26 -0.901 9.818 0.189 1.00 0.00 C ATOM 351 C ALA A 26 -0.689 11.211 -0.393 1.00 0.00 C ATOM 352 O ALA A 26 0.241 11.920 -0.008 1.00 0.00 O ATOM 353 CB ALA A 26 -1.608 9.907 1.533 1.00 0.00 C ATOM 0 H ALA A 26 0.848 9.282 1.212 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.528 9.256 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.552 10.438 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.802 8.903 1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.977 10.444 2.241 1.00 0.00 H new ATOM 359 N SER A 27 -1.557 11.598 -1.323 1.00 0.00 N ATOM 360 CA SER A 27 -1.461 12.905 -1.962 1.00 0.00 C ATOM 361 C SER A 27 -2.809 13.619 -1.941 1.00 0.00 C ATOM 362 O SER A 27 -3.022 14.544 -1.157 1.00 0.00 O ATOM 363 CB SER A 27 -0.971 12.757 -3.404 1.00 0.00 C ATOM 364 OG SER A 27 0.282 12.098 -3.452 1.00 0.00 O ATOM 0 H SER A 27 -2.335 11.025 -1.650 1.00 0.00 H new ATOM 0 HA SER A 27 -0.743 13.504 -1.402 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.703 12.195 -3.984 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.886 13.741 -3.865 1.00 0.00 H new ATOM 0 HG SER A 27 0.572 12.014 -4.384 1.00 0.00 H new ATOM 370 N ASP A 28 -3.716 13.183 -2.809 1.00 0.00 N ATOM 371 CA ASP A 28 -5.044 13.779 -2.891 1.00 0.00 C ATOM 372 C ASP A 28 -5.918 13.322 -1.726 1.00 0.00 C ATOM 373 O ASP A 28 -6.998 12.768 -1.929 1.00 0.00 O ATOM 374 CB ASP A 28 -5.710 13.413 -4.218 1.00 0.00 C ATOM 375 CG ASP A 28 -6.668 14.484 -4.700 1.00 0.00 C ATOM 376 OD1 ASP A 28 -6.318 15.679 -4.606 1.00 0.00 O ATOM 377 OD2 ASP A 28 -7.769 14.128 -5.171 1.00 0.00 O ATOM 0 H ASP A 28 -3.555 12.419 -3.465 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.933 14.862 -2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.942 13.250 -4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.249 12.473 -4.103 1.00 0.00 H new ATOM 382 N ILE A 29 -5.441 13.558 -0.508 1.00 0.00 N ATOM 383 CA ILE A 29 -6.179 13.171 0.688 1.00 0.00 C ATOM 384 C ILE A 29 -7.437 14.016 0.855 1.00 0.00 C ATOM 385 O ILE A 29 -7.360 15.221 1.089 1.00 0.00 O ATOM 386 CB ILE A 29 -5.311 13.306 1.953 1.00 0.00 C ATOM 387 CG1 ILE A 29 -4.029 12.484 1.808 1.00 0.00 C ATOM 388 CG2 ILE A 29 -6.093 12.865 3.181 1.00 0.00 C ATOM 389 CD1 ILE A 29 -2.856 13.053 2.575 1.00 0.00 C ATOM 0 H ILE A 29 -4.548 14.015 -0.324 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.461 12.126 0.561 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.037 14.354 2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.218 11.467 2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.766 12.420 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.466 12.966 4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.980 13.489 3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.394 11.824 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.982 12.419 2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.640 14.059 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.100 13.091 3.637 1.00 0.00 H new ATOM 401 N GLN A 30 -8.595 13.374 0.736 1.00 0.00 N ATOM 402 CA GLN A 30 -9.870 14.067 0.875 1.00 0.00 C ATOM 403 C GLN A 30 -10.598 13.619 2.138 1.00 0.00 C ATOM 404 O GLN A 30 -10.061 12.851 2.936 1.00 0.00 O ATOM 405 CB GLN A 30 -10.749 13.814 -0.351 1.00 0.00 C ATOM 406 CG GLN A 30 -10.612 14.877 -1.428 1.00 0.00 C ATOM 407 CD GLN A 30 -10.839 14.328 -2.823 1.00 0.00 C ATOM 408 OE1 GLN A 30 -10.205 13.354 -3.229 1.00 0.00 O ATOM 409 NE2 GLN A 30 -11.746 14.952 -3.564 1.00 0.00 N ATOM 0 H GLN A 30 -8.676 12.376 0.544 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.667 15.135 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.494 12.843 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.791 13.760 -0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.327 15.677 -1.236 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.617 15.318 -1.373 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.248 15.756 -3.186 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.941 14.628 -4.511 1.00 0.00 H new ATOM 418 N ALA A 31 -11.822 14.104 2.314 1.00 0.00 N ATOM 419 CA ALA A 31 -12.624 13.752 3.479 1.00 0.00 C ATOM 420 C ALA A 31 -12.434 12.286 3.854 1.00 0.00 C ATOM 421 O ALA A 31 -11.790 11.970 4.854 1.00 0.00 O ATOM 422 CB ALA A 31 -14.094 14.046 3.217 1.00 0.00 C ATOM 0 H ALA A 31 -12.281 14.742 1.664 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.287 14.361 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.681 13.778 4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.221 15.108 3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.435 13.463 2.362 1.00 0.00 H new ATOM 428 N ARG A 32 -13.000 11.396 3.045 1.00 0.00 N ATOM 429 CA ARG A 32 -12.895 9.963 3.294 1.00 0.00 C ATOM 430 C ARG A 32 -12.066 9.283 2.208 1.00 0.00 C ATOM 431 O ARG A 32 -11.425 8.259 2.450 1.00 0.00 O ATOM 432 CB ARG A 32 -14.286 9.331 3.359 1.00 0.00 C ATOM 433 CG ARG A 32 -15.357 10.271 3.889 1.00 0.00 C ATOM 434 CD ARG A 32 -16.062 11.006 2.760 1.00 0.00 C ATOM 435 NE ARG A 32 -17.090 10.183 2.128 1.00 0.00 N ATOM 436 CZ ARG A 32 -18.076 10.678 1.390 1.00 0.00 C ATOM 437 NH1 ARG A 32 -18.168 11.986 1.191 1.00 0.00 N ATOM 438 NH2 ARG A 32 -18.974 9.865 0.848 1.00 0.00 N ATOM 0 H ARG A 32 -13.535 11.642 2.212 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.395 9.822 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.570 8.995 2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.245 8.446 3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.087 9.704 4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.905 10.994 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.516 11.917 3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.330 11.309 2.012 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.048 9.173 2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.480 12.615 1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.927 12.363 0.623 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.907 8.858 0.998 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.731 10.247 0.281 1.00 0.00 H new ATOM 452 N THR A 33 -12.083 9.858 1.010 1.00 0.00 N ATOM 453 CA THR A 33 -11.336 9.307 -0.114 1.00 0.00 C ATOM 454 C THR A 33 -9.958 9.949 -0.225 1.00 0.00 C ATOM 455 O THR A 33 -9.743 11.067 0.244 1.00 0.00 O ATOM 456 CB THR A 33 -12.090 9.505 -1.442 1.00 0.00 C ATOM 457 OG1 THR A 33 -12.465 10.879 -1.592 1.00 0.00 O ATOM 458 CG2 THR A 33 -13.331 8.628 -1.495 1.00 0.00 C ATOM 0 H THR A 33 -12.606 10.706 0.793 1.00 0.00 H new ATOM 0 HA THR A 33 -11.223 8.239 0.075 1.00 0.00 H new ATOM 0 HB THR A 33 -11.426 9.218 -2.258 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.942 10.997 -2.440 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.847 8.785 -2.442 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.041 7.581 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.996 8.889 -0.672 1.00 0.00 H new ATOM 466 N VAL A 34 -9.026 9.235 -0.848 1.00 0.00 N ATOM 467 CA VAL A 34 -7.668 9.736 -1.022 1.00 0.00 C ATOM 468 C VAL A 34 -6.977 9.056 -2.199 1.00 0.00 C ATOM 469 O VAL A 34 -7.409 7.998 -2.659 1.00 0.00 O ATOM 470 CB VAL A 34 -6.823 9.522 0.248 1.00 0.00 C ATOM 471 CG1 VAL A 34 -7.648 9.812 1.493 1.00 0.00 C ATOM 472 CG2 VAL A 34 -6.266 8.107 0.285 1.00 0.00 C ATOM 0 H VAL A 34 -9.187 8.307 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.749 10.805 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.984 10.217 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.035 9.656 2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.993 10.846 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.508 9.143 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.672 7.973 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.089 7.392 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.638 7.940 -0.590 1.00 0.00 H new ATOM 482 N VAL A 35 -5.902 9.669 -2.682 1.00 0.00 N ATOM 483 CA VAL A 35 -5.149 9.122 -3.805 1.00 0.00 C ATOM 484 C VAL A 35 -3.829 8.519 -3.340 1.00 0.00 C ATOM 485 O VAL A 35 -2.868 9.238 -3.064 1.00 0.00 O ATOM 486 CB VAL A 35 -4.863 10.200 -4.867 1.00 0.00 C ATOM 487 CG1 VAL A 35 -3.830 9.703 -5.867 1.00 0.00 C ATOM 488 CG2 VAL A 35 -6.148 10.606 -5.573 1.00 0.00 C ATOM 0 H VAL A 35 -5.532 10.545 -2.313 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.765 8.340 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.456 11.079 -4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.641 10.478 -6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.903 9.466 -5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.205 8.808 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.927 11.368 -6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.586 9.735 -6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.853 11.006 -4.844 1.00 0.00 H new ATOM 498 N LEU A 36 -3.787 7.194 -3.256 1.00 0.00 N ATOM 499 CA LEU A 36 -2.583 6.492 -2.824 1.00 0.00 C ATOM 500 C LEU A 36 -1.746 6.059 -4.024 1.00 0.00 C ATOM 501 O LEU A 36 -2.232 5.363 -4.916 1.00 0.00 O ATOM 502 CB LEU A 36 -2.955 5.271 -1.980 1.00 0.00 C ATOM 503 CG LEU A 36 -1.844 4.701 -1.098 1.00 0.00 C ATOM 504 CD1 LEU A 36 -1.449 5.702 -0.023 1.00 0.00 C ATOM 505 CD2 LEU A 36 -2.283 3.386 -0.471 1.00 0.00 C ATOM 0 H LEU A 36 -4.573 6.584 -3.481 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.990 7.177 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.797 5.539 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.300 4.483 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.972 4.509 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.657 5.279 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.092 6.619 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.314 5.927 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.480 2.995 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.170 3.553 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.514 2.667 -1.257 1.00 0.00 H new ATOM 517 N THR A 37 -0.483 6.473 -4.038 1.00 0.00 N ATOM 518 CA THR A 37 0.423 6.127 -5.126 1.00 0.00 C ATOM 519 C THR A 37 1.629 5.349 -4.612 1.00 0.00 C ATOM 520 O THR A 37 2.348 5.815 -3.728 1.00 0.00 O ATOM 521 CB THR A 37 0.915 7.384 -5.868 1.00 0.00 C ATOM 522 OG1 THR A 37 -0.151 8.332 -5.986 1.00 0.00 O ATOM 523 CG2 THR A 37 1.438 7.026 -7.251 1.00 0.00 C ATOM 0 H THR A 37 -0.064 7.049 -3.308 1.00 0.00 H new ATOM 0 HA THR A 37 -0.140 5.502 -5.819 1.00 0.00 H new ATOM 0 HB THR A 37 1.729 7.824 -5.292 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.171 9.129 -6.457 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.780 7.930 -7.756 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.269 6.327 -7.156 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.640 6.565 -7.833 1.00 0.00 H new ATOM 531 N TRP A 38 1.844 4.164 -5.171 1.00 0.00 N ATOM 532 CA TRP A 38 2.965 3.322 -4.769 1.00 0.00 C ATOM 533 C TRP A 38 3.646 2.705 -5.985 1.00 0.00 C ATOM 534 O TRP A 38 3.021 2.513 -7.028 1.00 0.00 O ATOM 535 CB TRP A 38 2.487 2.219 -3.822 1.00 0.00 C ATOM 536 CG TRP A 38 1.572 1.229 -4.478 1.00 0.00 C ATOM 537 CD1 TRP A 38 1.935 0.180 -5.273 1.00 0.00 C ATOM 538 CD2 TRP A 38 0.143 1.197 -4.396 1.00 0.00 C ATOM 539 NE1 TRP A 38 0.818 -0.502 -5.691 1.00 0.00 N ATOM 540 CE2 TRP A 38 -0.294 0.101 -5.165 1.00 0.00 C ATOM 541 CE3 TRP A 38 -0.809 1.987 -3.746 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.641 -0.222 -5.301 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -2.146 1.665 -3.882 1.00 0.00 C ATOM 544 CH2 TRP A 38 -2.552 0.568 -4.654 1.00 0.00 C ATOM 0 H TRP A 38 1.257 3.764 -5.904 1.00 0.00 H new ATOM 0 HA TRP A 38 3.690 3.949 -4.249 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.354 1.693 -3.422 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.972 2.674 -2.976 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.951 -0.076 -5.535 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.817 -1.324 -6.295 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.505 2.834 -3.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.956 -1.066 -5.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.891 2.269 -3.385 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.605 0.342 -4.740 1.00 0.00 H new ATOM 555 N SER A 39 4.932 2.396 -5.845 1.00 0.00 N ATOM 556 CA SER A 39 5.699 1.804 -6.934 1.00 0.00 C ATOM 557 C SER A 39 5.770 0.287 -6.786 1.00 0.00 C ATOM 558 O SER A 39 5.656 -0.262 -5.690 1.00 0.00 O ATOM 559 CB SER A 39 7.111 2.391 -6.970 1.00 0.00 C ATOM 560 OG SER A 39 7.129 3.635 -7.648 1.00 0.00 O ATOM 0 H SER A 39 5.464 2.546 -4.988 1.00 0.00 H new ATOM 0 HA SER A 39 5.193 2.037 -7.871 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.480 2.522 -5.953 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.786 1.693 -7.466 1.00 0.00 H new ATOM 0 HG SER A 39 8.042 3.990 -7.656 1.00 0.00 H new ATOM 566 N PRO A 40 5.963 -0.408 -7.917 1.00 0.00 N ATOM 567 CA PRO A 40 6.055 -1.871 -7.941 1.00 0.00 C ATOM 568 C PRO A 40 7.336 -2.383 -7.292 1.00 0.00 C ATOM 569 O PRO A 40 8.269 -1.626 -7.024 1.00 0.00 O ATOM 570 CB PRO A 40 6.043 -2.203 -9.435 1.00 0.00 C ATOM 571 CG PRO A 40 6.570 -0.978 -10.099 1.00 0.00 C ATOM 572 CD PRO A 40 6.108 0.180 -9.259 1.00 0.00 C ATOM 0 HA PRO A 40 5.246 -2.339 -7.380 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.666 -3.071 -9.653 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.036 -2.439 -9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.658 -1.005 -10.161 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.194 -0.895 -11.119 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.832 0.995 -9.265 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.165 0.589 -9.622 1.00 0.00 H new ATOM 580 N PRO A 41 7.385 -3.698 -7.033 1.00 0.00 N ATOM 581 CA PRO A 41 8.548 -4.339 -6.413 1.00 0.00 C ATOM 582 C PRO A 41 9.754 -4.379 -7.345 1.00 0.00 C ATOM 583 O PRO A 41 9.606 -4.408 -8.566 1.00 0.00 O ATOM 584 CB PRO A 41 8.055 -5.758 -6.117 1.00 0.00 C ATOM 585 CG PRO A 41 6.966 -5.994 -7.106 1.00 0.00 C ATOM 586 CD PRO A 41 6.309 -4.660 -7.325 1.00 0.00 C ATOM 0 HA PRO A 41 8.889 -3.798 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.857 -6.487 -6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.687 -5.844 -5.095 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.366 -6.390 -8.040 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.250 -6.725 -6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.943 -4.555 -8.346 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.454 -4.520 -6.664 1.00 0.00 H new ATOM 594 N SER A 42 10.948 -4.379 -6.761 1.00 0.00 N ATOM 595 CA SER A 42 12.180 -4.412 -7.540 1.00 0.00 C ATOM 596 C SER A 42 12.661 -5.846 -7.737 1.00 0.00 C ATOM 597 O SER A 42 12.947 -6.555 -6.772 1.00 0.00 O ATOM 598 CB SER A 42 13.268 -3.588 -6.848 1.00 0.00 C ATOM 599 OG SER A 42 12.858 -2.243 -6.676 1.00 0.00 O ATOM 0 H SER A 42 11.088 -4.357 -5.751 1.00 0.00 H new ATOM 0 HA SER A 42 11.973 -3.979 -8.519 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.500 -4.028 -5.878 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.183 -3.620 -7.439 1.00 0.00 H new ATOM 0 HG SER A 42 13.570 -1.738 -6.230 1.00 0.00 H new ATOM 605 N SER A 43 12.747 -6.267 -8.995 1.00 0.00 N ATOM 606 CA SER A 43 13.189 -7.618 -9.321 1.00 0.00 C ATOM 607 C SER A 43 14.683 -7.779 -9.056 1.00 0.00 C ATOM 608 O SER A 43 15.504 -7.031 -9.588 1.00 0.00 O ATOM 609 CB SER A 43 12.881 -7.939 -10.784 1.00 0.00 C ATOM 610 OG SER A 43 13.235 -6.858 -11.629 1.00 0.00 O ATOM 0 H SER A 43 12.516 -5.692 -9.805 1.00 0.00 H new ATOM 0 HA SER A 43 12.647 -8.315 -8.682 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.426 -8.834 -11.086 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.819 -8.159 -10.895 1.00 0.00 H new ATOM 0 HG SER A 43 14.116 -6.516 -11.371 1.00 0.00 H new ATOM 616 N LEU A 44 15.028 -8.761 -8.231 1.00 0.00 N ATOM 617 CA LEU A 44 16.424 -9.023 -7.895 1.00 0.00 C ATOM 618 C LEU A 44 16.974 -10.184 -8.717 1.00 0.00 C ATOM 619 O LEU A 44 17.996 -10.775 -8.368 1.00 0.00 O ATOM 620 CB LEU A 44 16.560 -9.330 -6.403 1.00 0.00 C ATOM 621 CG LEU A 44 16.040 -8.256 -5.446 1.00 0.00 C ATOM 622 CD1 LEU A 44 15.990 -8.788 -4.022 1.00 0.00 C ATOM 623 CD2 LEU A 44 16.909 -7.009 -5.521 1.00 0.00 C ATOM 0 H LEU A 44 14.361 -9.389 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 44 17.003 -8.130 -8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 44 16.032 -10.260 -6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.613 -9.505 -6.183 1.00 0.00 H new ATOM 0 HG LEU A 44 15.027 -7.988 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.618 -8.010 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.326 -9.651 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 44 16.991 -9.085 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.524 -6.256 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 44 17.933 -7.262 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 44 16.893 -6.615 -6.537 1.00 0.00 H new ATOM 635 N ILE A 45 16.290 -10.504 -9.810 1.00 0.00 N ATOM 636 CA ILE A 45 16.712 -11.593 -10.683 1.00 0.00 C ATOM 637 C ILE A 45 18.101 -11.330 -11.256 1.00 0.00 C ATOM 638 O ILE A 45 18.743 -12.233 -11.790 1.00 0.00 O ATOM 639 CB ILE A 45 15.721 -11.800 -11.844 1.00 0.00 C ATOM 640 CG1 ILE A 45 14.281 -11.746 -11.329 1.00 0.00 C ATOM 641 CG2 ILE A 45 15.991 -13.125 -12.541 1.00 0.00 C ATOM 642 CD1 ILE A 45 13.263 -12.253 -12.328 1.00 0.00 C ATOM 0 H ILE A 45 15.442 -10.025 -10.112 1.00 0.00 H new ATOM 0 HA ILE A 45 16.737 -12.496 -10.073 1.00 0.00 H new ATOM 0 HB ILE A 45 15.859 -10.997 -12.568 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.208 -12.337 -10.416 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.037 -10.717 -11.064 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.283 -13.257 -13.359 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.007 -13.128 -12.937 1.00 0.00 H new ATOM 0 HG23 ILE A 45 15.877 -13.941 -11.828 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.265 -12.186 -11.896 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.308 -11.647 -13.233 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.482 -13.292 -12.575 1.00 0.00 H new ATOM 654 N ASN A 46 18.558 -10.088 -11.139 1.00 0.00 N ATOM 655 CA ASN A 46 19.872 -9.707 -11.644 1.00 0.00 C ATOM 656 C ASN A 46 19.872 -9.646 -13.169 1.00 0.00 C ATOM 657 O ASN A 46 20.912 -9.806 -13.807 1.00 0.00 O ATOM 658 CB ASN A 46 20.934 -10.697 -11.162 1.00 0.00 C ATOM 659 CG ASN A 46 20.698 -11.148 -9.734 1.00 0.00 C ATOM 660 OD1 ASN A 46 20.772 -12.338 -9.426 1.00 0.00 O ATOM 661 ND2 ASN A 46 20.411 -10.197 -8.853 1.00 0.00 N ATOM 0 H ASN A 46 18.038 -9.328 -10.699 1.00 0.00 H new ATOM 0 HA ASN A 46 20.108 -8.715 -11.258 1.00 0.00 H new ATOM 0 HB2 ASN A 46 20.940 -11.567 -11.819 1.00 0.00 H new ATOM 0 HB3 ASN A 46 21.918 -10.235 -11.236 1.00 0.00 H new ATOM 0 HD21 ASN A 46 20.242 -10.440 -7.877 1.00 0.00 H new ATOM 0 HD22 ASN A 46 20.360 -9.223 -9.152 1.00 0.00 H new ATOM 668 N GLY A 47 18.697 -9.413 -13.746 1.00 0.00 N ATOM 669 CA GLY A 47 18.584 -9.334 -15.191 1.00 0.00 C ATOM 670 C GLY A 47 18.661 -10.695 -15.854 1.00 0.00 C ATOM 671 O GLY A 47 18.456 -10.817 -17.061 1.00 0.00 O ATOM 0 H GLY A 47 17.822 -9.278 -13.239 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.639 -8.859 -15.453 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.379 -8.698 -15.580 1.00 0.00 H new ATOM 675 N GLU A 48 18.959 -11.721 -15.062 1.00 0.00 N ATOM 676 CA GLU A 48 19.065 -13.080 -15.581 1.00 0.00 C ATOM 677 C GLU A 48 17.903 -13.397 -16.518 1.00 0.00 C ATOM 678 O GLU A 48 18.038 -14.197 -17.444 1.00 0.00 O ATOM 679 CB GLU A 48 19.096 -14.088 -14.430 1.00 0.00 C ATOM 680 CG GLU A 48 19.878 -15.351 -14.749 1.00 0.00 C ATOM 681 CD GLU A 48 19.161 -16.245 -15.742 1.00 0.00 C ATOM 682 OE1 GLU A 48 18.033 -16.685 -15.437 1.00 0.00 O ATOM 683 OE2 GLU A 48 19.728 -16.505 -16.824 1.00 0.00 O ATOM 0 H GLU A 48 19.131 -11.637 -14.060 1.00 0.00 H new ATOM 0 HA GLU A 48 19.995 -13.155 -16.145 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.533 -13.612 -13.553 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.073 -14.360 -14.169 1.00 0.00 H new ATOM 0 HG2 GLU A 48 20.854 -15.078 -15.150 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.056 -15.906 -13.828 1.00 0.00 H new ATOM 690 N THR A 49 16.761 -12.763 -16.271 1.00 0.00 N ATOM 691 CA THR A 49 15.575 -12.977 -17.090 1.00 0.00 C ATOM 692 C THR A 49 15.237 -11.734 -17.905 1.00 0.00 C ATOM 693 O THR A 49 15.698 -10.635 -17.598 1.00 0.00 O ATOM 694 CB THR A 49 14.357 -13.358 -16.226 1.00 0.00 C ATOM 695 OG1 THR A 49 13.398 -14.068 -17.018 1.00 0.00 O ATOM 696 CG2 THR A 49 13.710 -12.118 -15.628 1.00 0.00 C ATOM 0 H THR A 49 16.633 -12.097 -15.510 1.00 0.00 H new ATOM 0 HA THR A 49 15.803 -13.800 -17.767 1.00 0.00 H new ATOM 0 HB THR A 49 14.701 -13.997 -15.413 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.628 -14.308 -16.462 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.853 -12.411 -15.022 1.00 0.00 H new ATOM 0 HG22 THR A 49 14.434 -11.595 -15.003 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.379 -11.458 -16.430 1.00 0.00 H new ATOM 704 N ASP A 50 14.430 -11.915 -18.944 1.00 0.00 N ATOM 705 CA ASP A 50 14.029 -10.807 -19.803 1.00 0.00 C ATOM 706 C ASP A 50 13.355 -9.706 -18.991 1.00 0.00 C ATOM 707 O ASP A 50 12.477 -9.976 -18.172 1.00 0.00 O ATOM 708 CB ASP A 50 13.085 -11.300 -20.900 1.00 0.00 C ATOM 709 CG ASP A 50 13.828 -11.883 -22.086 1.00 0.00 C ATOM 710 OD1 ASP A 50 14.296 -13.036 -21.983 1.00 0.00 O ATOM 711 OD2 ASP A 50 13.943 -11.187 -23.116 1.00 0.00 O ATOM 0 H ASP A 50 14.040 -12.819 -19.212 1.00 0.00 H new ATOM 0 HA ASP A 50 14.926 -10.395 -20.265 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.416 -12.055 -20.487 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.461 -10.472 -21.237 1.00 0.00 H new ATOM 716 N GLU A 51 13.772 -8.466 -19.223 1.00 0.00 N ATOM 717 CA GLU A 51 13.209 -7.325 -18.510 1.00 0.00 C ATOM 718 C GLU A 51 11.699 -7.245 -18.718 1.00 0.00 C ATOM 719 O GLU A 51 10.962 -6.819 -17.829 1.00 0.00 O ATOM 720 CB GLU A 51 13.869 -6.027 -18.979 1.00 0.00 C ATOM 721 CG GLU A 51 13.710 -5.766 -20.468 1.00 0.00 C ATOM 722 CD GLU A 51 14.112 -4.358 -20.860 1.00 0.00 C ATOM 723 OE1 GLU A 51 13.566 -3.399 -20.275 1.00 0.00 O ATOM 724 OE2 GLU A 51 14.974 -4.214 -21.752 1.00 0.00 O ATOM 0 H GLU A 51 14.497 -8.225 -19.899 1.00 0.00 H new ATOM 0 HA GLU A 51 13.405 -7.460 -17.446 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.442 -5.191 -18.425 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.931 -6.061 -18.736 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.316 -6.481 -21.025 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.672 -5.936 -20.754 1.00 0.00 H new ATOM 731 N SER A 52 11.248 -7.659 -19.897 1.00 0.00 N ATOM 732 CA SER A 52 9.827 -7.630 -20.224 1.00 0.00 C ATOM 733 C SER A 52 9.180 -8.986 -19.954 1.00 0.00 C ATOM 734 O SER A 52 8.347 -9.454 -20.730 1.00 0.00 O ATOM 735 CB SER A 52 9.627 -7.240 -21.690 1.00 0.00 C ATOM 736 OG SER A 52 10.184 -5.965 -21.959 1.00 0.00 O ATOM 0 H SER A 52 11.845 -8.018 -20.642 1.00 0.00 H new ATOM 0 HA SER A 52 9.348 -6.885 -19.589 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.091 -7.986 -22.335 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.563 -7.233 -21.926 1.00 0.00 H new ATOM 0 HG SER A 52 10.045 -5.740 -22.902 1.00 0.00 H new ATOM 742 N SER A 53 9.570 -9.610 -18.848 1.00 0.00 N ATOM 743 CA SER A 53 9.032 -10.914 -18.476 1.00 0.00 C ATOM 744 C SER A 53 8.224 -10.820 -17.186 1.00 0.00 C ATOM 745 O SER A 53 7.012 -11.035 -17.182 1.00 0.00 O ATOM 746 CB SER A 53 10.166 -11.928 -18.308 1.00 0.00 C ATOM 747 OG SER A 53 9.658 -13.213 -17.997 1.00 0.00 O ATOM 0 H SER A 53 10.256 -9.234 -18.194 1.00 0.00 H new ATOM 0 HA SER A 53 8.370 -11.248 -19.275 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.753 -11.978 -19.225 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.839 -11.598 -17.517 1.00 0.00 H new ATOM 0 HG SER A 53 10.402 -13.843 -17.896 1.00 0.00 H new ATOM 753 N VAL A 54 8.904 -10.496 -16.091 1.00 0.00 N ATOM 754 CA VAL A 54 8.251 -10.371 -14.793 1.00 0.00 C ATOM 755 C VAL A 54 6.833 -9.830 -14.941 1.00 0.00 C ATOM 756 O VAL A 54 6.565 -8.934 -15.743 1.00 0.00 O ATOM 757 CB VAL A 54 9.045 -9.448 -13.851 1.00 0.00 C ATOM 758 CG1 VAL A 54 10.305 -10.144 -13.358 1.00 0.00 C ATOM 759 CG2 VAL A 54 9.387 -8.141 -14.549 1.00 0.00 C ATOM 0 H VAL A 54 9.908 -10.315 -16.077 1.00 0.00 H new ATOM 0 HA VAL A 54 8.212 -11.371 -14.361 1.00 0.00 H new ATOM 0 HB VAL A 54 8.423 -9.219 -12.986 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.853 -9.476 -12.693 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.032 -11.050 -12.817 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.933 -10.405 -14.210 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.948 -7.501 -13.868 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.990 -8.348 -15.433 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.468 -7.636 -14.847 1.00 0.00 H new ATOM 769 N PRO A 55 5.902 -10.384 -14.151 1.00 0.00 N ATOM 770 CA PRO A 55 4.496 -9.971 -14.174 1.00 0.00 C ATOM 771 C PRO A 55 4.292 -8.573 -13.600 1.00 0.00 C ATOM 772 O PRO A 55 5.127 -8.075 -12.845 1.00 0.00 O ATOM 773 CB PRO A 55 3.805 -11.016 -13.295 1.00 0.00 C ATOM 774 CG PRO A 55 4.873 -11.509 -12.381 1.00 0.00 C ATOM 775 CD PRO A 55 6.151 -11.455 -13.172 1.00 0.00 C ATOM 0 HA PRO A 55 4.103 -9.921 -15.189 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.977 -10.579 -12.737 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.392 -11.827 -13.895 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.940 -10.888 -11.488 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.663 -12.525 -12.047 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.007 -11.228 -12.537 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.361 -12.406 -13.662 1.00 0.00 H new ATOM 783 N GLU A 56 3.178 -7.946 -13.963 1.00 0.00 N ATOM 784 CA GLU A 56 2.866 -6.605 -13.483 1.00 0.00 C ATOM 785 C GLU A 56 1.457 -6.549 -12.900 1.00 0.00 C ATOM 786 O GLU A 56 0.846 -5.482 -12.823 1.00 0.00 O ATOM 787 CB GLU A 56 3.001 -5.588 -14.619 1.00 0.00 C ATOM 788 CG GLU A 56 1.859 -5.639 -15.619 1.00 0.00 C ATOM 789 CD GLU A 56 1.917 -4.510 -16.629 1.00 0.00 C ATOM 790 OE1 GLU A 56 2.803 -4.546 -17.509 1.00 0.00 O ATOM 791 OE2 GLU A 56 1.078 -3.589 -16.541 1.00 0.00 O ATOM 0 H GLU A 56 2.477 -8.345 -14.587 1.00 0.00 H new ATOM 0 HA GLU A 56 3.576 -6.355 -12.695 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.056 -4.586 -14.194 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.940 -5.764 -15.143 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.884 -6.593 -16.145 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.910 -5.594 -15.084 1.00 0.00 H new ATOM 798 N LEU A 57 0.946 -7.705 -12.492 1.00 0.00 N ATOM 799 CA LEU A 57 -0.392 -7.790 -11.916 1.00 0.00 C ATOM 800 C LEU A 57 -0.324 -8.098 -10.424 1.00 0.00 C ATOM 801 O LEU A 57 -1.275 -8.625 -9.845 1.00 0.00 O ATOM 802 CB LEU A 57 -1.210 -8.865 -12.634 1.00 0.00 C ATOM 803 CG LEU A 57 -1.449 -8.641 -14.128 1.00 0.00 C ATOM 804 CD1 LEU A 57 -1.765 -7.179 -14.404 1.00 0.00 C ATOM 805 CD2 LEU A 57 -0.239 -9.089 -14.935 1.00 0.00 C ATOM 0 H LEU A 57 1.438 -8.597 -12.549 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.879 -6.824 -12.046 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.705 -9.823 -12.507 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.178 -8.947 -12.140 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.306 -9.241 -14.434 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.932 -7.038 -15.472 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.662 -6.891 -13.855 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.928 -6.559 -14.083 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.427 -8.922 -15.996 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.636 -8.516 -14.627 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.058 -10.150 -14.761 1.00 0.00 H new ATOM 817 N TYR A 58 0.803 -7.764 -9.807 1.00 0.00 N ATOM 818 CA TYR A 58 0.995 -8.005 -8.382 1.00 0.00 C ATOM 819 C TYR A 58 -0.152 -7.413 -7.570 1.00 0.00 C ATOM 820 O TYR A 58 -0.257 -6.196 -7.417 1.00 0.00 O ATOM 821 CB TYR A 58 2.325 -7.409 -7.917 1.00 0.00 C ATOM 822 CG TYR A 58 3.511 -7.858 -8.739 1.00 0.00 C ATOM 823 CD1 TYR A 58 3.886 -9.195 -8.781 1.00 0.00 C ATOM 824 CD2 TYR A 58 4.256 -6.945 -9.476 1.00 0.00 C ATOM 825 CE1 TYR A 58 4.969 -9.610 -9.531 1.00 0.00 C ATOM 826 CE2 TYR A 58 5.341 -7.352 -10.230 1.00 0.00 C ATOM 827 CZ TYR A 58 5.693 -8.685 -10.254 1.00 0.00 C ATOM 828 OH TYR A 58 6.772 -9.094 -11.003 1.00 0.00 O ATOM 0 H TYR A 58 1.598 -7.325 -10.271 1.00 0.00 H new ATOM 0 HA TYR A 58 1.012 -9.083 -8.221 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.259 -6.322 -7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.491 -7.683 -6.875 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.321 -9.923 -8.217 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.983 -5.900 -9.459 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.247 -10.653 -9.551 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.910 -6.630 -10.797 1.00 0.00 H new ATOM 0 HH TYR A 58 6.589 -8.937 -11.953 1.00 0.00 H new ATOM 838 N GLY A 59 -1.012 -8.284 -7.050 1.00 0.00 N ATOM 839 CA GLY A 59 -2.141 -7.830 -6.259 1.00 0.00 C ATOM 840 C GLY A 59 -1.718 -6.972 -5.083 1.00 0.00 C ATOM 841 O GLY A 59 -1.207 -7.482 -4.086 1.00 0.00 O ATOM 0 H GLY A 59 -0.947 -9.296 -7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.820 -7.261 -6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.695 -8.694 -5.893 1.00 0.00 H new ATOM 845 N TYR A 60 -1.929 -5.666 -5.199 1.00 0.00 N ATOM 846 CA TYR A 60 -1.562 -4.735 -4.139 1.00 0.00 C ATOM 847 C TYR A 60 -2.762 -4.418 -3.252 1.00 0.00 C ATOM 848 O TYR A 60 -3.685 -3.718 -3.666 1.00 0.00 O ATOM 849 CB TYR A 60 -1.000 -3.444 -4.736 1.00 0.00 C ATOM 850 CG TYR A 60 0.221 -3.658 -5.601 1.00 0.00 C ATOM 851 CD1 TYR A 60 1.462 -3.921 -5.033 1.00 0.00 C ATOM 852 CD2 TYR A 60 0.136 -3.596 -6.987 1.00 0.00 C ATOM 853 CE1 TYR A 60 2.581 -4.117 -5.818 1.00 0.00 C ATOM 854 CE2 TYR A 60 1.249 -3.792 -7.780 1.00 0.00 C ATOM 855 CZ TYR A 60 2.469 -4.051 -7.192 1.00 0.00 C ATOM 856 OH TYR A 60 3.581 -4.245 -7.979 1.00 0.00 O ATOM 0 H TYR A 60 -2.353 -5.228 -6.017 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.795 -5.208 -3.526 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.776 -2.961 -5.330 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.746 -2.760 -3.926 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.553 -3.973 -3.958 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.817 -3.391 -7.452 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.538 -4.321 -5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.165 -3.743 -8.856 1.00 0.00 H new ATOM 0 HH TYR A 60 3.489 -3.730 -8.808 1.00 0.00 H new ATOM 866 N GLU A 61 -2.740 -4.940 -2.029 1.00 0.00 N ATOM 867 CA GLU A 61 -3.826 -4.713 -1.083 1.00 0.00 C ATOM 868 C GLU A 61 -3.433 -3.667 -0.044 1.00 0.00 C ATOM 869 O GLU A 61 -2.328 -3.697 0.496 1.00 0.00 O ATOM 870 CB GLU A 61 -4.207 -6.021 -0.387 1.00 0.00 C ATOM 871 CG GLU A 61 -5.197 -5.839 0.751 1.00 0.00 C ATOM 872 CD GLU A 61 -5.711 -7.158 1.294 1.00 0.00 C ATOM 873 OE1 GLU A 61 -6.453 -7.850 0.566 1.00 0.00 O ATOM 874 OE2 GLU A 61 -5.372 -7.499 2.447 1.00 0.00 O ATOM 0 H GLU A 61 -1.983 -5.522 -1.671 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.687 -4.342 -1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.633 -6.703 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.304 -6.493 0.000 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.720 -5.280 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.039 -5.241 0.403 1.00 0.00 H new ATOM 881 N VAL A 62 -4.347 -2.741 0.231 1.00 0.00 N ATOM 882 CA VAL A 62 -4.098 -1.686 1.205 1.00 0.00 C ATOM 883 C VAL A 62 -4.589 -2.090 2.590 1.00 0.00 C ATOM 884 O VAL A 62 -5.731 -2.521 2.755 1.00 0.00 O ATOM 885 CB VAL A 62 -4.783 -0.369 0.793 1.00 0.00 C ATOM 886 CG1 VAL A 62 -4.644 0.672 1.894 1.00 0.00 C ATOM 887 CG2 VAL A 62 -4.203 0.146 -0.516 1.00 0.00 C ATOM 0 H VAL A 62 -5.267 -2.701 -0.208 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.019 -1.532 1.236 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.845 -0.563 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.134 1.596 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.111 0.301 2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.588 0.866 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.698 1.077 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.135 0.325 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.360 -0.595 -1.300 1.00 0.00 H new ATOM 897 N LEU A 63 -3.720 -1.947 3.585 1.00 0.00 N ATOM 898 CA LEU A 63 -4.065 -2.296 4.959 1.00 0.00 C ATOM 899 C LEU A 63 -3.980 -1.075 5.869 1.00 0.00 C ATOM 900 O LEU A 63 -2.899 -0.528 6.091 1.00 0.00 O ATOM 901 CB LEU A 63 -3.135 -3.396 5.475 1.00 0.00 C ATOM 902 CG LEU A 63 -2.879 -4.561 4.518 1.00 0.00 C ATOM 903 CD1 LEU A 63 -1.611 -5.304 4.910 1.00 0.00 C ATOM 904 CD2 LEU A 63 -4.070 -5.508 4.500 1.00 0.00 C ATOM 0 H LEU A 63 -2.771 -1.592 3.466 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.092 -2.662 4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.177 -2.944 5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.555 -3.796 6.398 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.745 -4.159 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.445 -6.130 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.762 -4.621 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.716 -5.694 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.870 -6.331 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.236 -5.903 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.959 -4.969 4.171 1.00 0.00 H new ATOM 916 N ILE A 64 -5.126 -0.654 6.393 1.00 0.00 N ATOM 917 CA ILE A 64 -5.180 0.500 7.282 1.00 0.00 C ATOM 918 C ILE A 64 -5.750 0.119 8.644 1.00 0.00 C ATOM 919 O ILE A 64 -6.606 -0.759 8.747 1.00 0.00 O ATOM 920 CB ILE A 64 -6.033 1.634 6.681 1.00 0.00 C ATOM 921 CG1 ILE A 64 -7.459 1.146 6.421 1.00 0.00 C ATOM 922 CG2 ILE A 64 -5.401 2.147 5.396 1.00 0.00 C ATOM 923 CD1 ILE A 64 -8.492 2.250 6.460 1.00 0.00 C ATOM 0 H ILE A 64 -6.029 -1.094 6.218 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.156 0.852 7.405 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.075 2.456 7.396 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.496 0.659 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.717 0.391 7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.015 2.948 4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.402 2.528 5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.333 1.333 4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.480 1.831 6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.483 2.722 7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.258 2.994 5.698 1.00 0.00 H new ATOM 935 N SER A 65 -5.269 0.787 9.688 1.00 0.00 N ATOM 936 CA SER A 65 -5.728 0.517 11.046 1.00 0.00 C ATOM 937 C SER A 65 -6.167 1.804 11.737 1.00 0.00 C ATOM 938 O SER A 65 -5.503 2.286 12.654 1.00 0.00 O ATOM 939 CB SER A 65 -4.621 -0.159 11.856 1.00 0.00 C ATOM 940 OG SER A 65 -5.146 -0.783 13.015 1.00 0.00 O ATOM 0 H SER A 65 -4.562 1.519 9.620 1.00 0.00 H new ATOM 0 HA SER A 65 -6.586 -0.153 10.987 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.115 -0.900 11.238 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.874 0.580 12.144 1.00 0.00 H new ATOM 0 HG SER A 65 -5.531 -1.651 12.773 1.00 0.00 H new ATOM 946 N SER A 66 -7.290 2.355 11.289 1.00 0.00 N ATOM 947 CA SER A 66 -7.817 3.589 11.861 1.00 0.00 C ATOM 948 C SER A 66 -7.716 3.569 13.383 1.00 0.00 C ATOM 949 O SER A 66 -7.691 4.617 14.030 1.00 0.00 O ATOM 950 CB SER A 66 -9.274 3.791 11.438 1.00 0.00 C ATOM 951 OG SER A 66 -9.362 4.151 10.070 1.00 0.00 O ATOM 0 H SER A 66 -7.853 1.967 10.532 1.00 0.00 H new ATOM 0 HA SER A 66 -7.218 4.419 11.485 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.837 2.874 11.613 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.730 4.568 12.052 1.00 0.00 H new ATOM 0 HG SER A 66 -8.821 4.951 9.907 1.00 0.00 H new ATOM 957 N THR A 67 -7.658 2.368 13.950 1.00 0.00 N ATOM 958 CA THR A 67 -7.561 2.209 15.395 1.00 0.00 C ATOM 959 C THR A 67 -6.170 2.581 15.897 1.00 0.00 C ATOM 960 O THR A 67 -5.993 3.596 16.570 1.00 0.00 O ATOM 961 CB THR A 67 -7.880 0.765 15.825 1.00 0.00 C ATOM 962 OG1 THR A 67 -9.294 0.543 15.784 1.00 0.00 O ATOM 963 CG2 THR A 67 -7.358 0.489 17.227 1.00 0.00 C ATOM 0 H THR A 67 -7.677 1.491 13.430 1.00 0.00 H new ATOM 0 HA THR A 67 -8.296 2.882 15.836 1.00 0.00 H new ATOM 0 HB THR A 67 -7.386 0.085 15.131 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.489 -0.378 16.057 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.595 -0.537 17.508 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.277 0.630 17.247 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.827 1.176 17.932 1.00 0.00 H new ATOM 971 N GLY A 68 -5.185 1.753 15.564 1.00 0.00 N ATOM 972 CA GLY A 68 -3.822 2.013 15.989 1.00 0.00 C ATOM 973 C GLY A 68 -2.825 1.065 15.351 1.00 0.00 C ATOM 974 O GLY A 68 -3.070 -0.138 15.261 1.00 0.00 O ATOM 0 H GLY A 68 -5.306 0.907 15.008 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.556 3.039 15.737 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.760 1.925 17.074 1.00 0.00 H new ATOM 978 N LYS A 69 -1.697 1.608 14.906 1.00 0.00 N ATOM 979 CA LYS A 69 -0.659 0.803 14.272 1.00 0.00 C ATOM 980 C LYS A 69 -0.358 -0.444 15.097 1.00 0.00 C ATOM 981 O LYS A 69 -0.003 -1.489 14.552 1.00 0.00 O ATOM 982 CB LYS A 69 0.617 1.630 14.093 1.00 0.00 C ATOM 983 CG LYS A 69 1.641 0.978 13.180 1.00 0.00 C ATOM 984 CD LYS A 69 3.057 1.393 13.543 1.00 0.00 C ATOM 985 CE LYS A 69 3.400 2.761 12.972 1.00 0.00 C ATOM 986 NZ LYS A 69 4.860 2.907 12.722 1.00 0.00 N ATOM 0 H LYS A 69 -1.478 2.602 14.973 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.023 0.490 13.293 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.353 2.607 13.689 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.070 1.800 15.070 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.551 -0.106 13.246 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.434 1.253 12.146 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.165 1.413 14.627 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.762 0.653 13.166 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.855 2.913 12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.071 3.536 13.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.053 3.852 12.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.379 2.788 13.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.170 2.183 12.042 1.00 0.00 H new ATOM 1000 N ASP A 70 -0.503 -0.327 16.412 1.00 0.00 N ATOM 1001 CA ASP A 70 -0.249 -1.447 17.312 1.00 0.00 C ATOM 1002 C ASP A 70 -1.536 -2.211 17.605 1.00 0.00 C ATOM 1003 O ASP A 70 -1.889 -2.433 18.762 1.00 0.00 O ATOM 1004 CB ASP A 70 0.371 -0.948 18.618 1.00 0.00 C ATOM 1005 CG ASP A 70 1.449 0.093 18.387 1.00 0.00 C ATOM 1006 OD1 ASP A 70 2.136 0.014 17.348 1.00 0.00 O ATOM 1007 OD2 ASP A 70 1.606 0.985 19.247 1.00 0.00 O ATOM 0 H ASP A 70 -0.795 0.532 16.879 1.00 0.00 H new ATOM 0 HA ASP A 70 0.451 -2.124 16.822 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.410 -0.524 19.249 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.796 -1.792 19.161 1.00 0.00 H new ATOM 1012 N GLY A 71 -2.235 -2.612 16.546 1.00 0.00 N ATOM 1013 CA GLY A 71 -3.476 -3.346 16.711 1.00 0.00 C ATOM 1014 C GLY A 71 -3.721 -4.329 15.584 1.00 0.00 C ATOM 1015 O GLY A 71 -2.875 -5.174 15.290 1.00 0.00 O ATOM 0 H GLY A 71 -1.964 -2.441 15.578 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.454 -3.883 17.659 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.307 -2.642 16.763 1.00 0.00 H new ATOM 1019 N LYS A 72 -4.884 -4.222 14.950 1.00 0.00 N ATOM 1020 CA LYS A 72 -5.241 -5.108 13.849 1.00 0.00 C ATOM 1021 C LYS A 72 -5.577 -4.309 12.594 1.00 0.00 C ATOM 1022 O LYS A 72 -6.345 -3.348 12.645 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.431 -5.988 14.240 1.00 0.00 C ATOM 1024 CG LYS A 72 -6.720 -7.097 13.244 1.00 0.00 C ATOM 1025 CD LYS A 72 -5.752 -8.258 13.405 1.00 0.00 C ATOM 1026 CE LYS A 72 -6.090 -9.100 14.625 1.00 0.00 C ATOM 1027 NZ LYS A 72 -7.273 -9.974 14.386 1.00 0.00 N ATOM 0 H LYS A 72 -5.596 -3.529 15.181 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.382 -5.744 13.634 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.240 -6.430 15.218 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.317 -5.362 14.341 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.741 -7.452 13.380 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.652 -6.703 12.230 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.779 -8.882 12.512 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.735 -7.876 13.496 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.231 -9.716 14.890 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.287 -8.446 15.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.410 -10.604 15.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.120 -9.384 14.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.116 -10.544 13.531 1.00 0.00 H new ATOM 1041 N TYR A 73 -4.997 -4.712 11.469 1.00 0.00 N ATOM 1042 CA TYR A 73 -5.235 -4.032 10.201 1.00 0.00 C ATOM 1043 C TYR A 73 -6.391 -4.679 9.444 1.00 0.00 C ATOM 1044 O TYR A 73 -6.737 -5.836 9.685 1.00 0.00 O ATOM 1045 CB TYR A 73 -3.970 -4.057 9.341 1.00 0.00 C ATOM 1046 CG TYR A 73 -2.958 -3.001 9.723 1.00 0.00 C ATOM 1047 CD1 TYR A 73 -2.484 -2.903 11.025 1.00 0.00 C ATOM 1048 CD2 TYR A 73 -2.475 -2.100 8.781 1.00 0.00 C ATOM 1049 CE1 TYR A 73 -1.560 -1.940 11.379 1.00 0.00 C ATOM 1050 CE2 TYR A 73 -1.549 -1.134 9.126 1.00 0.00 C ATOM 1051 CZ TYR A 73 -1.095 -1.058 10.426 1.00 0.00 C ATOM 1052 OH TYR A 73 -0.174 -0.096 10.774 1.00 0.00 O ATOM 0 H TYR A 73 -4.359 -5.506 11.409 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.500 -2.997 10.417 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.505 -5.040 9.421 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.248 -3.921 8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.845 -3.592 11.774 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.829 -2.156 7.762 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.203 -1.878 12.397 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.183 -0.442 8.382 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.642 0.716 11.061 1.00 0.00 H new ATOM 1062 N LYS A 74 -6.984 -3.924 8.526 1.00 0.00 N ATOM 1063 CA LYS A 74 -8.100 -4.422 7.730 1.00 0.00 C ATOM 1064 C LYS A 74 -7.872 -4.155 6.246 1.00 0.00 C ATOM 1065 O LYS A 74 -7.004 -3.365 5.874 1.00 0.00 O ATOM 1066 CB LYS A 74 -9.407 -3.766 8.182 1.00 0.00 C ATOM 1067 CG LYS A 74 -9.608 -2.365 7.630 1.00 0.00 C ATOM 1068 CD LYS A 74 -10.559 -1.556 8.495 1.00 0.00 C ATOM 1069 CE LYS A 74 -12.010 -1.813 8.119 1.00 0.00 C ATOM 1070 NZ LYS A 74 -12.949 -1.011 8.951 1.00 0.00 N ATOM 0 H LYS A 74 -6.711 -2.964 8.314 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.169 -5.499 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.244 -4.392 7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.425 -3.724 9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.646 -1.855 7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.000 -2.426 6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.403 -1.809 9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.337 -0.494 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.161 -1.572 7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.234 -2.873 8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.928 -1.214 8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.823 -1.259 9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.753 0.002 8.818 1.00 0.00 H new ATOM 1084 N SER A 75 -8.657 -4.817 5.402 1.00 0.00 N ATOM 1085 CA SER A 75 -8.539 -4.653 3.958 1.00 0.00 C ATOM 1086 C SER A 75 -9.547 -3.631 3.443 1.00 0.00 C ATOM 1087 O SER A 75 -10.711 -3.633 3.845 1.00 0.00 O ATOM 1088 CB SER A 75 -8.749 -5.994 3.252 1.00 0.00 C ATOM 1089 OG SER A 75 -10.091 -6.431 3.377 1.00 0.00 O ATOM 0 H SER A 75 -9.382 -5.472 5.694 1.00 0.00 H new ATOM 0 HA SER A 75 -7.535 -4.289 3.740 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.491 -5.898 2.197 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.079 -6.741 3.677 1.00 0.00 H new ATOM 0 HG SER A 75 -10.200 -7.289 2.916 1.00 0.00 H new ATOM 1095 N VAL A 76 -9.091 -2.757 2.551 1.00 0.00 N ATOM 1096 CA VAL A 76 -9.953 -1.729 1.979 1.00 0.00 C ATOM 1097 C VAL A 76 -10.007 -1.841 0.459 1.00 0.00 C ATOM 1098 O VAL A 76 -11.047 -1.598 -0.155 1.00 0.00 O ATOM 1099 CB VAL A 76 -9.471 -0.317 2.361 1.00 0.00 C ATOM 1100 CG1 VAL A 76 -9.963 0.056 3.752 1.00 0.00 C ATOM 1101 CG2 VAL A 76 -7.954 -0.232 2.282 1.00 0.00 C ATOM 0 H VAL A 76 -8.130 -2.740 2.209 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.951 -1.888 2.388 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.889 0.396 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.613 1.057 4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -11.053 0.037 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.576 -0.659 4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.631 0.773 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.513 -0.954 2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.630 -0.453 1.265 1.00 0.00 H new ATOM 1111 N TYR A 77 -8.882 -2.211 -0.142 1.00 0.00 N ATOM 1112 CA TYR A 77 -8.801 -2.354 -1.591 1.00 0.00 C ATOM 1113 C TYR A 77 -7.607 -3.217 -1.987 1.00 0.00 C ATOM 1114 O TYR A 77 -6.559 -3.182 -1.342 1.00 0.00 O ATOM 1115 CB TYR A 77 -8.693 -0.980 -2.254 1.00 0.00 C ATOM 1116 CG TYR A 77 -8.352 -1.043 -3.726 1.00 0.00 C ATOM 1117 CD1 TYR A 77 -7.091 -1.444 -4.151 1.00 0.00 C ATOM 1118 CD2 TYR A 77 -9.292 -0.703 -4.692 1.00 0.00 C ATOM 1119 CE1 TYR A 77 -6.776 -1.502 -5.495 1.00 0.00 C ATOM 1120 CE2 TYR A 77 -8.985 -0.760 -6.038 1.00 0.00 C ATOM 1121 CZ TYR A 77 -7.726 -1.160 -6.434 1.00 0.00 C ATOM 1122 OH TYR A 77 -7.416 -1.218 -7.774 1.00 0.00 O ATOM 0 H TYR A 77 -8.013 -2.417 0.351 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.711 -2.846 -1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.638 -0.451 -2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.931 -0.396 -1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.345 -1.715 -3.419 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.279 -0.389 -4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.791 -1.814 -5.809 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.727 -0.493 -6.776 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.196 -0.946 -8.302 1.00 0.00 H new ATOM 1132 N VAL A 78 -7.774 -3.993 -3.054 1.00 0.00 N ATOM 1133 CA VAL A 78 -6.712 -4.865 -3.539 1.00 0.00 C ATOM 1134 C VAL A 78 -6.880 -5.163 -5.025 1.00 0.00 C ATOM 1135 O VAL A 78 -7.745 -5.944 -5.418 1.00 0.00 O ATOM 1136 CB VAL A 78 -6.677 -6.194 -2.761 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -8.049 -6.852 -2.767 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -5.628 -7.127 -3.346 1.00 0.00 C ATOM 0 H VAL A 78 -8.635 -4.035 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.772 -4.336 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.405 -5.982 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.005 -7.790 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.774 -6.187 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.352 -7.052 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.617 -8.061 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.867 -7.334 -4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.647 -6.656 -3.285 1.00 0.00 H new ATOM 1148 N GLY A 79 -6.045 -4.534 -5.847 1.00 0.00 N ATOM 1149 CA GLY A 79 -6.118 -4.744 -7.281 1.00 0.00 C ATOM 1150 C GLY A 79 -4.749 -4.895 -7.915 1.00 0.00 C ATOM 1151 O GLY A 79 -3.799 -5.321 -7.259 1.00 0.00 O ATOM 0 H GLY A 79 -5.320 -3.883 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.710 -5.636 -7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.638 -3.904 -7.742 1.00 0.00 H new ATOM 1155 N GLU A 80 -4.649 -4.546 -9.194 1.00 0.00 N ATOM 1156 CA GLU A 80 -3.387 -4.648 -9.916 1.00 0.00 C ATOM 1157 C GLU A 80 -2.825 -3.263 -10.227 1.00 0.00 C ATOM 1158 O GLU A 80 -1.616 -3.094 -10.383 1.00 0.00 O ATOM 1159 CB GLU A 80 -3.578 -5.436 -11.213 1.00 0.00 C ATOM 1160 CG GLU A 80 -4.190 -6.811 -11.006 1.00 0.00 C ATOM 1161 CD GLU A 80 -5.602 -6.744 -10.457 1.00 0.00 C ATOM 1162 OE1 GLU A 80 -6.490 -6.225 -11.166 1.00 0.00 O ATOM 1163 OE2 GLU A 80 -5.820 -7.209 -9.319 1.00 0.00 O ATOM 0 H GLU A 80 -5.426 -4.191 -9.751 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.676 -5.176 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.215 -4.862 -11.886 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.612 -5.548 -11.706 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.198 -7.348 -11.955 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.565 -7.384 -10.321 1.00 0.00 H new ATOM 1170 N GLU A 81 -3.712 -2.277 -10.316 1.00 0.00 N ATOM 1171 CA GLU A 81 -3.305 -0.909 -10.610 1.00 0.00 C ATOM 1172 C GLU A 81 -2.452 -0.340 -9.479 1.00 0.00 C ATOM 1173 O GLU A 81 -2.853 -0.354 -8.315 1.00 0.00 O ATOM 1174 CB GLU A 81 -4.533 -0.024 -10.831 1.00 0.00 C ATOM 1175 CG GLU A 81 -4.995 0.026 -12.278 1.00 0.00 C ATOM 1176 CD GLU A 81 -6.474 0.336 -12.408 1.00 0.00 C ATOM 1177 OE1 GLU A 81 -6.871 1.477 -12.095 1.00 0.00 O ATOM 1178 OE2 GLU A 81 -7.234 -0.564 -12.822 1.00 0.00 O ATOM 0 H GLU A 81 -4.716 -2.400 -10.189 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.707 -0.923 -11.521 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.351 -0.390 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.306 0.988 -10.496 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.421 0.782 -12.813 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.785 -0.931 -12.756 1.00 0.00 H new ATOM 1185 N THR A 82 -1.271 0.160 -9.831 1.00 0.00 N ATOM 1186 CA THR A 82 -0.360 0.731 -8.847 1.00 0.00 C ATOM 1187 C THR A 82 -1.021 1.872 -8.083 1.00 0.00 C ATOM 1188 O THR A 82 -0.886 1.976 -6.864 1.00 0.00 O ATOM 1189 CB THR A 82 0.929 1.252 -9.511 1.00 0.00 C ATOM 1190 OG1 THR A 82 0.605 2.216 -10.520 1.00 0.00 O ATOM 1191 CG2 THR A 82 1.719 0.109 -10.129 1.00 0.00 C ATOM 0 H THR A 82 -0.924 0.181 -10.790 1.00 0.00 H new ATOM 0 HA THR A 82 -0.104 -0.068 -8.151 1.00 0.00 H new ATOM 0 HB THR A 82 1.543 1.723 -8.743 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.430 2.544 -10.936 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.625 0.501 -10.592 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.989 -0.608 -9.353 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.110 -0.387 -10.885 1.00 0.00 H new ATOM 1199 N ASN A 83 -1.737 2.727 -8.807 1.00 0.00 N ATOM 1200 CA ASN A 83 -2.420 3.861 -8.196 1.00 0.00 C ATOM 1201 C ASN A 83 -3.902 3.560 -7.995 1.00 0.00 C ATOM 1202 O ASN A 83 -4.579 3.088 -8.908 1.00 0.00 O ATOM 1203 CB ASN A 83 -2.255 5.110 -9.064 1.00 0.00 C ATOM 1204 CG ASN A 83 -3.436 6.055 -8.947 1.00 0.00 C ATOM 1205 OD1 ASN A 83 -4.137 6.314 -9.925 1.00 0.00 O ATOM 1206 ND2 ASN A 83 -3.660 6.576 -7.746 1.00 0.00 N ATOM 0 H ASN A 83 -1.859 2.656 -9.817 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.969 4.042 -7.220 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.344 5.633 -8.774 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.133 4.812 -10.105 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.439 7.219 -7.606 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.053 6.333 -6.963 1.00 0.00 H new ATOM 1213 N ILE A 84 -4.399 3.837 -6.794 1.00 0.00 N ATOM 1214 CA ILE A 84 -5.801 3.597 -6.474 1.00 0.00 C ATOM 1215 C ILE A 84 -6.321 4.628 -5.477 1.00 0.00 C ATOM 1216 O ILE A 84 -5.545 5.349 -4.850 1.00 0.00 O ATOM 1217 CB ILE A 84 -6.013 2.186 -5.894 1.00 0.00 C ATOM 1218 CG1 ILE A 84 -5.669 2.167 -4.403 1.00 0.00 C ATOM 1219 CG2 ILE A 84 -5.170 1.171 -6.650 1.00 0.00 C ATOM 1220 CD1 ILE A 84 -6.834 2.533 -3.510 1.00 0.00 C ATOM 0 H ILE A 84 -3.852 4.228 -6.027 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.357 3.684 -7.407 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.063 1.916 -6.009 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.313 1.173 -4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.848 2.860 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.331 0.179 -6.229 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.458 1.170 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.116 1.436 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.518 2.499 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.176 3.539 -3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.648 1.825 -3.666 1.00 0.00 H new ATOM 1232 N THR A 85 -7.642 4.691 -5.335 1.00 0.00 N ATOM 1233 CA THR A 85 -8.267 5.632 -4.415 1.00 0.00 C ATOM 1234 C THR A 85 -8.917 4.906 -3.243 1.00 0.00 C ATOM 1235 O THR A 85 -9.657 3.940 -3.431 1.00 0.00 O ATOM 1236 CB THR A 85 -9.330 6.491 -5.125 1.00 0.00 C ATOM 1237 OG1 THR A 85 -8.724 7.251 -6.176 1.00 0.00 O ATOM 1238 CG2 THR A 85 -10.012 7.430 -4.142 1.00 0.00 C ATOM 0 H THR A 85 -8.299 4.101 -5.846 1.00 0.00 H new ATOM 0 HA THR A 85 -7.475 6.282 -4.042 1.00 0.00 H new ATOM 0 HB THR A 85 -10.082 5.824 -5.547 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.407 7.793 -6.623 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.759 8.026 -4.667 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.498 6.847 -3.359 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.269 8.090 -3.695 1.00 0.00 H new ATOM 1246 N LEU A 86 -8.637 5.376 -2.032 1.00 0.00 N ATOM 1247 CA LEU A 86 -9.195 4.771 -0.828 1.00 0.00 C ATOM 1248 C LEU A 86 -10.651 5.184 -0.637 1.00 0.00 C ATOM 1249 O LEU A 86 -11.042 6.297 -0.986 1.00 0.00 O ATOM 1250 CB LEU A 86 -8.373 5.174 0.397 1.00 0.00 C ATOM 1251 CG LEU A 86 -7.067 4.409 0.610 1.00 0.00 C ATOM 1252 CD1 LEU A 86 -7.324 2.911 0.637 1.00 0.00 C ATOM 1253 CD2 LEU A 86 -6.060 4.761 -0.475 1.00 0.00 C ATOM 0 H LEU A 86 -8.027 6.175 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.156 3.688 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.140 6.236 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.994 5.047 1.284 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.650 4.702 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.383 2.383 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.009 2.674 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.765 2.600 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.136 4.207 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.469 4.498 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.852 5.831 -0.445 1.00 0.00 H new ATOM 1265 N ASN A 87 -11.448 4.280 -0.077 1.00 0.00 N ATOM 1266 CA ASN A 87 -12.861 4.551 0.164 1.00 0.00 C ATOM 1267 C ASN A 87 -13.341 3.853 1.432 1.00 0.00 C ATOM 1268 O ASN A 87 -12.745 2.871 1.876 1.00 0.00 O ATOM 1269 CB ASN A 87 -13.700 4.095 -1.032 1.00 0.00 C ATOM 1270 CG ASN A 87 -13.666 5.089 -2.176 1.00 0.00 C ATOM 1271 OD1 ASN A 87 -14.539 5.950 -2.291 1.00 0.00 O ATOM 1272 ND2 ASN A 87 -12.654 4.976 -3.029 1.00 0.00 N ATOM 0 H ASN A 87 -11.140 3.354 0.218 1.00 0.00 H new ATOM 0 HA ASN A 87 -12.982 5.626 0.296 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -13.334 3.130 -1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -14.732 3.948 -0.713 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.578 5.618 -3.818 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.953 4.247 -2.895 1.00 0.00 H new ATOM 1279 N ASP A 88 -14.422 4.365 2.010 1.00 0.00 N ATOM 1280 CA ASP A 88 -14.984 3.790 3.227 1.00 0.00 C ATOM 1281 C ASP A 88 -14.125 4.138 4.439 1.00 0.00 C ATOM 1282 O ASP A 88 -14.004 3.346 5.375 1.00 0.00 O ATOM 1283 CB ASP A 88 -15.104 2.271 3.090 1.00 0.00 C ATOM 1284 CG ASP A 88 -16.194 1.695 3.973 1.00 0.00 C ATOM 1285 OD1 ASP A 88 -15.959 1.556 5.192 1.00 0.00 O ATOM 1286 OD2 ASP A 88 -17.282 1.385 3.445 1.00 0.00 O ATOM 0 H ASP A 88 -14.927 5.177 1.655 1.00 0.00 H new ATOM 0 HA ASP A 88 -15.978 4.213 3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.311 2.018 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.151 1.809 3.347 1.00 0.00 H new ATOM 1291 N LEU A 89 -13.531 5.326 4.415 1.00 0.00 N ATOM 1292 CA LEU A 89 -12.682 5.779 5.512 1.00 0.00 C ATOM 1293 C LEU A 89 -13.391 6.841 6.346 1.00 0.00 C ATOM 1294 O LEU A 89 -14.436 7.360 5.953 1.00 0.00 O ATOM 1295 CB LEU A 89 -11.365 6.336 4.967 1.00 0.00 C ATOM 1296 CG LEU A 89 -10.590 5.421 4.019 1.00 0.00 C ATOM 1297 CD1 LEU A 89 -9.266 6.058 3.626 1.00 0.00 C ATOM 1298 CD2 LEU A 89 -10.360 4.060 4.660 1.00 0.00 C ATOM 0 H LEU A 89 -13.621 5.993 3.649 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.470 4.923 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.577 7.270 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.720 6.581 5.811 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.184 5.279 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.728 5.392 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.454 7.008 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.666 6.231 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.807 3.422 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.788 4.183 5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.321 3.599 4.890 1.00 0.00 H new ATOM 1310 N LYS A 90 -12.814 7.162 7.499 1.00 0.00 N ATOM 1311 CA LYS A 90 -13.388 8.164 8.389 1.00 0.00 C ATOM 1312 C LYS A 90 -12.648 9.492 8.260 1.00 0.00 C ATOM 1313 O LYS A 90 -11.449 9.591 8.524 1.00 0.00 O ATOM 1314 CB LYS A 90 -13.337 7.678 9.839 1.00 0.00 C ATOM 1315 CG LYS A 90 -14.429 8.266 10.716 1.00 0.00 C ATOM 1316 CD LYS A 90 -14.165 8.001 12.189 1.00 0.00 C ATOM 1317 CE LYS A 90 -14.798 6.695 12.642 1.00 0.00 C ATOM 1318 NZ LYS A 90 -14.469 6.382 14.060 1.00 0.00 N ATOM 0 H LYS A 90 -11.949 6.742 7.839 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.428 8.317 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.418 6.591 9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.366 7.931 10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.495 9.340 10.545 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -15.392 7.839 10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.090 7.966 12.367 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.560 8.824 12.784 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.880 6.756 12.525 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.454 5.883 12.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.919 5.484 14.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.438 6.298 14.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.820 7.144 14.674 1.00 0.00 H new ATOM 1332 N PRO A 91 -13.377 10.539 7.847 1.00 0.00 N ATOM 1333 CA PRO A 91 -12.810 11.881 7.676 1.00 0.00 C ATOM 1334 C PRO A 91 -12.451 12.532 9.008 1.00 0.00 C ATOM 1335 O PRO A 91 -13.111 12.301 10.020 1.00 0.00 O ATOM 1336 CB PRO A 91 -13.936 12.656 6.988 1.00 0.00 C ATOM 1337 CG PRO A 91 -15.184 11.946 7.386 1.00 0.00 C ATOM 1338 CD PRO A 91 -14.811 10.495 7.514 1.00 0.00 C ATOM 0 HA PRO A 91 -11.879 11.862 7.109 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.953 13.697 7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.810 12.659 5.905 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.570 12.334 8.328 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.966 12.084 6.640 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.389 9.999 8.293 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.992 9.950 6.587 1.00 0.00 H new ATOM 1346 N ALA A 92 -11.401 13.346 8.998 1.00 0.00 N ATOM 1347 CA ALA A 92 -10.956 14.032 10.205 1.00 0.00 C ATOM 1348 C ALA A 92 -10.274 13.065 11.167 1.00 0.00 C ATOM 1349 O ALA A 92 -10.542 13.077 12.367 1.00 0.00 O ATOM 1350 CB ALA A 92 -12.131 14.717 10.887 1.00 0.00 C ATOM 0 H ALA A 92 -10.843 13.547 8.168 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.227 14.789 9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.784 15.225 11.787 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.573 15.445 10.207 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.880 13.972 11.157 1.00 0.00 H new ATOM 1356 N MET A 93 -9.391 12.229 10.630 1.00 0.00 N ATOM 1357 CA MET A 93 -8.670 11.256 11.442 1.00 0.00 C ATOM 1358 C MET A 93 -7.230 11.105 10.960 1.00 0.00 C ATOM 1359 O MET A 93 -6.842 11.685 9.946 1.00 0.00 O ATOM 1360 CB MET A 93 -9.378 9.900 11.400 1.00 0.00 C ATOM 1361 CG MET A 93 -9.198 9.081 12.668 1.00 0.00 C ATOM 1362 SD MET A 93 -10.522 7.882 12.914 1.00 0.00 S ATOM 1363 CE MET A 93 -10.305 6.837 11.477 1.00 0.00 C ATOM 0 H MET A 93 -9.158 12.206 9.637 1.00 0.00 H new ATOM 0 HA MET A 93 -8.655 11.619 12.470 1.00 0.00 H new ATOM 0 HB2 MET A 93 -10.442 10.060 11.229 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.001 9.329 10.552 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.243 8.558 12.625 1.00 0.00 H new ATOM 0 HG3 MET A 93 -9.156 9.752 13.526 1.00 0.00 H new ATOM 0 HE1 MET A 93 -11.075 6.066 11.468 1.00 0.00 H new ATOM 0 HE2 MET A 93 -10.385 7.440 10.573 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.322 6.367 11.514 1.00 0.00 H new ATOM 1373 N ASP A 94 -6.444 10.325 11.693 1.00 0.00 N ATOM 1374 CA ASP A 94 -5.048 10.098 11.340 1.00 0.00 C ATOM 1375 C ASP A 94 -4.636 8.661 11.646 1.00 0.00 C ATOM 1376 O ASP A 94 -4.647 8.234 12.801 1.00 0.00 O ATOM 1377 CB ASP A 94 -4.144 11.072 12.096 1.00 0.00 C ATOM 1378 CG ASP A 94 -2.687 10.939 11.696 1.00 0.00 C ATOM 1379 OD1 ASP A 94 -2.421 10.453 10.577 1.00 0.00 O ATOM 1380 OD2 ASP A 94 -1.814 11.323 12.503 1.00 0.00 O ATOM 0 H ASP A 94 -6.750 9.839 12.536 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.938 10.268 10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.477 12.093 11.909 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.241 10.896 13.167 1.00 0.00 H new ATOM 1385 N TYR A 95 -4.276 7.920 10.604 1.00 0.00 N ATOM 1386 CA TYR A 95 -3.864 6.530 10.761 1.00 0.00 C ATOM 1387 C TYR A 95 -2.799 6.158 9.734 1.00 0.00 C ATOM 1388 O TYR A 95 -2.508 6.927 8.818 1.00 0.00 O ATOM 1389 CB TYR A 95 -5.071 5.600 10.621 1.00 0.00 C ATOM 1390 CG TYR A 95 -6.053 6.039 9.558 1.00 0.00 C ATOM 1391 CD1 TYR A 95 -5.904 5.636 8.237 1.00 0.00 C ATOM 1392 CD2 TYR A 95 -7.130 6.858 9.876 1.00 0.00 C ATOM 1393 CE1 TYR A 95 -6.799 6.035 7.263 1.00 0.00 C ATOM 1394 CE2 TYR A 95 -8.030 7.261 8.909 1.00 0.00 C ATOM 1395 CZ TYR A 95 -7.861 6.847 7.604 1.00 0.00 C ATOM 1396 OH TYR A 95 -8.755 7.247 6.637 1.00 0.00 O ATOM 0 H TYR A 95 -4.261 8.258 9.642 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.438 6.414 11.757 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.720 4.595 10.387 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.587 5.542 11.579 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.074 5.000 7.967 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.265 7.185 10.896 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.668 5.713 6.240 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.862 7.897 9.173 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.487 7.747 7.055 1.00 0.00 H new ATOM 1406 N HIS A 96 -2.221 4.972 9.894 1.00 0.00 N ATOM 1407 CA HIS A 96 -1.188 4.495 8.981 1.00 0.00 C ATOM 1408 C HIS A 96 -1.797 3.650 7.866 1.00 0.00 C ATOM 1409 O HIS A 96 -2.941 3.208 7.963 1.00 0.00 O ATOM 1410 CB HIS A 96 -0.142 3.680 9.742 1.00 0.00 C ATOM 1411 CG HIS A 96 0.430 4.396 10.926 1.00 0.00 C ATOM 1412 ND1 HIS A 96 -0.335 4.818 11.992 1.00 0.00 N ATOM 1413 CD2 HIS A 96 1.702 4.762 11.209 1.00 0.00 C ATOM 1414 CE1 HIS A 96 0.441 5.415 12.880 1.00 0.00 C ATOM 1415 NE2 HIS A 96 1.682 5.394 12.429 1.00 0.00 N ATOM 0 H HIS A 96 -2.450 4.323 10.647 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.705 5.363 8.532 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.594 2.746 10.076 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.667 3.417 9.061 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.571 4.589 10.591 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.116 5.846 13.815 1.00 0.00 H new ATOM 0 HE2 HIS A 96 2.494 5.784 12.908 1.00 0.00 H new ATOM 1424 N ALA A 97 -1.024 3.431 6.807 1.00 0.00 N ATOM 1425 CA ALA A 97 -1.486 2.639 5.675 1.00 0.00 C ATOM 1426 C ALA A 97 -0.315 1.993 4.941 1.00 0.00 C ATOM 1427 O ALA A 97 0.709 2.632 4.702 1.00 0.00 O ATOM 1428 CB ALA A 97 -2.296 3.504 4.721 1.00 0.00 C ATOM 0 H ALA A 97 -0.075 3.791 6.710 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.124 1.843 6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.635 2.899 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.160 3.913 5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.675 4.321 4.354 1.00 0.00 H new ATOM 1434 N LYS A 98 -0.473 0.722 4.587 1.00 0.00 N ATOM 1435 CA LYS A 98 0.570 -0.011 3.881 1.00 0.00 C ATOM 1436 C LYS A 98 0.018 -0.658 2.615 1.00 0.00 C ATOM 1437 O LYS A 98 -1.144 -0.460 2.260 1.00 0.00 O ATOM 1438 CB LYS A 98 1.176 -1.081 4.791 1.00 0.00 C ATOM 1439 CG LYS A 98 1.207 -0.686 6.257 1.00 0.00 C ATOM 1440 CD LYS A 98 1.330 -1.902 7.160 1.00 0.00 C ATOM 1441 CE LYS A 98 1.886 -1.528 8.526 1.00 0.00 C ATOM 1442 NZ LYS A 98 1.685 -2.615 9.523 1.00 0.00 N ATOM 0 H LYS A 98 -1.315 0.178 4.778 1.00 0.00 H new ATOM 0 HA LYS A 98 1.348 0.697 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.605 -2.003 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.192 -1.295 4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.045 -0.013 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.299 -0.137 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.352 -2.368 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.980 -2.641 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.950 -1.309 8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.401 -0.618 8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.487 -2.631 10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.804 -2.445 10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.623 -3.530 9.032 1.00 0.00 H new ATOM 1456 N VAL A 99 0.858 -1.435 1.938 1.00 0.00 N ATOM 1457 CA VAL A 99 0.453 -2.115 0.713 1.00 0.00 C ATOM 1458 C VAL A 99 1.176 -3.448 0.559 1.00 0.00 C ATOM 1459 O VAL A 99 2.403 -3.492 0.466 1.00 0.00 O ATOM 1460 CB VAL A 99 0.731 -1.246 -0.528 1.00 0.00 C ATOM 1461 CG1 VAL A 99 2.204 -1.305 -0.903 1.00 0.00 C ATOM 1462 CG2 VAL A 99 -0.142 -1.688 -1.693 1.00 0.00 C ATOM 0 H VAL A 99 1.823 -1.609 2.217 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.619 -2.294 0.790 1.00 0.00 H new ATOM 0 HB VAL A 99 0.483 -0.212 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.381 -0.685 -1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.806 -0.937 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.482 -2.335 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.067 -1.064 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.073 -2.729 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.192 -1.588 -1.419 1.00 0.00 H new ATOM 1472 N GLN A 100 0.408 -4.532 0.533 1.00 0.00 N ATOM 1473 CA GLN A 100 0.976 -5.867 0.391 1.00 0.00 C ATOM 1474 C GLN A 100 0.783 -6.393 -1.028 1.00 0.00 C ATOM 1475 O GLN A 100 -0.268 -6.191 -1.637 1.00 0.00 O ATOM 1476 CB GLN A 100 0.336 -6.827 1.395 1.00 0.00 C ATOM 1477 CG GLN A 100 1.212 -8.020 1.741 1.00 0.00 C ATOM 1478 CD GLN A 100 0.406 -9.250 2.108 1.00 0.00 C ATOM 1479 OE1 GLN A 100 -0.807 -9.297 1.898 1.00 0.00 O ATOM 1480 NE2 GLN A 100 1.076 -10.255 2.658 1.00 0.00 N ATOM 0 H GLN A 100 -0.609 -4.512 0.608 1.00 0.00 H new ATOM 0 HA GLN A 100 2.045 -5.802 0.593 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.103 -6.281 2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.609 -7.187 0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.855 -8.252 0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.865 -7.757 2.573 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.081 -10.173 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.586 -11.109 2.925 1.00 0.00 H new ATOM 1489 N ALA A 101 1.803 -7.067 -1.548 1.00 0.00 N ATOM 1490 CA ALA A 101 1.744 -7.622 -2.894 1.00 0.00 C ATOM 1491 C ALA A 101 1.615 -9.141 -2.856 1.00 0.00 C ATOM 1492 O ALA A 101 2.356 -9.818 -2.144 1.00 0.00 O ATOM 1493 CB ALA A 101 2.977 -7.216 -3.688 1.00 0.00 C ATOM 0 H ALA A 101 2.680 -7.242 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 101 0.859 -7.220 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.919 -7.638 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.026 -6.129 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.871 -7.590 -3.188 1.00 0.00 H new ATOM 1499 N GLU A 102 0.669 -9.670 -3.626 1.00 0.00 N ATOM 1500 CA GLU A 102 0.442 -11.109 -3.678 1.00 0.00 C ATOM 1501 C GLU A 102 0.376 -11.598 -5.122 1.00 0.00 C ATOM 1502 O GLU A 102 -0.264 -10.975 -5.971 1.00 0.00 O ATOM 1503 CB GLU A 102 -0.851 -11.471 -2.945 1.00 0.00 C ATOM 1504 CG GLU A 102 -1.342 -12.880 -3.236 1.00 0.00 C ATOM 1505 CD GLU A 102 -2.774 -13.102 -2.790 1.00 0.00 C ATOM 1506 OE1 GLU A 102 -3.680 -12.467 -3.369 1.00 0.00 O ATOM 1507 OE2 GLU A 102 -2.989 -13.911 -1.863 1.00 0.00 O ATOM 0 H GLU A 102 0.048 -9.123 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 102 1.280 -11.601 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.692 -11.365 -1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.628 -10.760 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.264 -13.074 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.693 -13.598 -2.734 1.00 0.00 H new ATOM 1514 N TYR A 103 1.040 -12.715 -5.393 1.00 0.00 N ATOM 1515 CA TYR A 103 1.060 -13.287 -6.735 1.00 0.00 C ATOM 1516 C TYR A 103 1.221 -14.803 -6.679 1.00 0.00 C ATOM 1517 O TYR A 103 2.072 -15.321 -5.957 1.00 0.00 O ATOM 1518 CB TYR A 103 2.193 -12.672 -7.557 1.00 0.00 C ATOM 1519 CG TYR A 103 1.968 -12.748 -9.050 1.00 0.00 C ATOM 1520 CD1 TYR A 103 2.018 -13.964 -9.720 1.00 0.00 C ATOM 1521 CD2 TYR A 103 1.704 -11.603 -9.792 1.00 0.00 C ATOM 1522 CE1 TYR A 103 1.813 -14.038 -11.084 1.00 0.00 C ATOM 1523 CE2 TYR A 103 1.497 -11.667 -11.156 1.00 0.00 C ATOM 1524 CZ TYR A 103 1.553 -12.887 -11.798 1.00 0.00 C ATOM 1525 OH TYR A 103 1.347 -12.957 -13.156 1.00 0.00 O ATOM 0 H TYR A 103 1.572 -13.243 -4.702 1.00 0.00 H new ATOM 0 HA TYR A 103 0.108 -13.059 -7.214 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.314 -11.628 -7.269 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.126 -13.180 -7.312 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.221 -14.868 -9.164 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.660 -10.646 -9.293 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.856 -14.992 -11.589 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.292 -10.767 -11.717 1.00 0.00 H new ATOM 0 HH TYR A 103 1.175 -12.058 -13.508 1.00 0.00 H new ATOM 1535 N ASN A 104 0.397 -15.508 -7.447 1.00 0.00 N ATOM 1536 CA ASN A 104 0.448 -16.965 -7.486 1.00 0.00 C ATOM 1537 C ASN A 104 0.196 -17.555 -6.102 1.00 0.00 C ATOM 1538 O ASN A 104 0.846 -18.520 -5.700 1.00 0.00 O ATOM 1539 CB ASN A 104 1.805 -17.435 -8.015 1.00 0.00 C ATOM 1540 CG ASN A 104 1.790 -18.893 -8.431 1.00 0.00 C ATOM 1541 OD1 ASN A 104 0.752 -19.555 -8.378 1.00 0.00 O ATOM 1542 ND2 ASN A 104 2.944 -19.402 -8.847 1.00 0.00 N ATOM 0 H ASN A 104 -0.314 -15.094 -8.050 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.336 -17.314 -8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.092 -16.820 -8.868 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.563 -17.287 -7.246 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.995 -20.378 -9.139 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.779 -18.817 -8.875 1.00 0.00 H new ATOM 1549 N SER A 105 -0.752 -16.969 -5.378 1.00 0.00 N ATOM 1550 CA SER A 105 -1.087 -17.434 -4.038 1.00 0.00 C ATOM 1551 C SER A 105 0.115 -17.320 -3.106 1.00 0.00 C ATOM 1552 O SER A 105 0.270 -18.111 -2.174 1.00 0.00 O ATOM 1553 CB SER A 105 -1.573 -18.884 -4.085 1.00 0.00 C ATOM 1554 OG SER A 105 -2.841 -18.977 -4.711 1.00 0.00 O ATOM 0 H SER A 105 -1.302 -16.171 -5.697 1.00 0.00 H new ATOM 0 HA SER A 105 -1.886 -16.802 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.851 -19.495 -4.626 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.634 -19.284 -3.073 1.00 0.00 H new ATOM 0 HG SER A 105 -3.129 -19.914 -4.730 1.00 0.00 H new ATOM 1560 N ILE A 106 0.963 -16.330 -3.363 1.00 0.00 N ATOM 1561 CA ILE A 106 2.151 -16.110 -2.548 1.00 0.00 C ATOM 1562 C ILE A 106 2.100 -14.751 -1.858 1.00 0.00 C ATOM 1563 O ILE A 106 2.174 -13.708 -2.509 1.00 0.00 O ATOM 1564 CB ILE A 106 3.437 -16.198 -3.391 1.00 0.00 C ATOM 1565 CG1 ILE A 106 3.566 -17.586 -4.020 1.00 0.00 C ATOM 1566 CG2 ILE A 106 4.654 -15.884 -2.534 1.00 0.00 C ATOM 1567 CD1 ILE A 106 4.621 -17.664 -5.101 1.00 0.00 C ATOM 0 H ILE A 106 0.849 -15.667 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 106 2.167 -16.897 -1.794 1.00 0.00 H new ATOM 0 HB ILE A 106 3.380 -15.461 -4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.803 -18.309 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.603 -17.876 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.555 -15.950 -3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.563 -14.876 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.717 -16.600 -1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.657 -18.677 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.375 -16.966 -5.901 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.593 -17.406 -4.680 1.00 0.00 H new ATOM 1579 N LYS A 107 1.975 -14.769 -0.535 1.00 0.00 N ATOM 1580 CA LYS A 107 1.918 -13.539 0.246 1.00 0.00 C ATOM 1581 C LYS A 107 3.278 -13.219 0.858 1.00 0.00 C ATOM 1582 O LYS A 107 3.859 -14.040 1.567 1.00 0.00 O ATOM 1583 CB LYS A 107 0.866 -13.660 1.350 1.00 0.00 C ATOM 1584 CG LYS A 107 -0.559 -13.728 0.828 1.00 0.00 C ATOM 1585 CD LYS A 107 -1.570 -13.703 1.962 1.00 0.00 C ATOM 1586 CE LYS A 107 -2.997 -13.670 1.436 1.00 0.00 C ATOM 1587 NZ LYS A 107 -3.996 -13.733 2.538 1.00 0.00 N ATOM 0 H LYS A 107 1.911 -15.623 0.019 1.00 0.00 H new ATOM 0 HA LYS A 107 1.641 -12.725 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.071 -14.554 1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.957 -12.807 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.742 -12.888 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.690 -14.638 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.434 -14.582 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.392 -12.830 2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.150 -12.758 0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.153 -14.508 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.956 -13.708 2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.867 -14.615 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.864 -12.920 3.173 1.00 0.00 H new ATOM 1601 N GLY A 108 3.781 -12.020 0.579 1.00 0.00 N ATOM 1602 CA GLY A 108 5.068 -11.613 1.111 1.00 0.00 C ATOM 1603 C GLY A 108 4.936 -10.721 2.330 1.00 0.00 C ATOM 1604 O GLY A 108 4.097 -10.962 3.198 1.00 0.00 O ATOM 0 H GLY A 108 3.320 -11.323 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.646 -12.499 1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.627 -11.086 0.338 1.00 0.00 H new ATOM 1608 N THR A 109 5.768 -9.686 2.397 1.00 0.00 N ATOM 1609 CA THR A 109 5.743 -8.757 3.519 1.00 0.00 C ATOM 1610 C THR A 109 5.342 -7.358 3.065 1.00 0.00 C ATOM 1611 O THR A 109 5.848 -6.832 2.073 1.00 0.00 O ATOM 1612 CB THR A 109 7.113 -8.684 4.219 1.00 0.00 C ATOM 1613 OG1 THR A 109 7.309 -9.845 5.034 1.00 0.00 O ATOM 1614 CG2 THR A 109 7.216 -7.432 5.077 1.00 0.00 C ATOM 0 H THR A 109 6.468 -9.471 1.687 1.00 0.00 H new ATOM 0 HA THR A 109 5.003 -9.134 4.225 1.00 0.00 H new ATOM 0 HB THR A 109 7.887 -8.644 3.452 1.00 0.00 H new ATOM 0 HG1 THR A 109 8.183 -9.792 5.474 1.00 0.00 H new ATOM 0 HG21 THR A 109 8.192 -7.402 5.561 1.00 0.00 H new ATOM 0 HG22 THR A 109 7.096 -6.549 4.449 1.00 0.00 H new ATOM 0 HG23 THR A 109 6.434 -7.446 5.837 1.00 0.00 H new ATOM 1622 N PRO A 110 4.411 -6.739 3.806 1.00 0.00 N ATOM 1623 CA PRO A 110 3.923 -5.391 3.499 1.00 0.00 C ATOM 1624 C PRO A 110 4.978 -4.320 3.752 1.00 0.00 C ATOM 1625 O PRO A 110 5.700 -4.370 4.748 1.00 0.00 O ATOM 1626 CB PRO A 110 2.742 -5.215 4.456 1.00 0.00 C ATOM 1627 CG PRO A 110 3.036 -6.131 5.593 1.00 0.00 C ATOM 1628 CD PRO A 110 3.765 -7.306 5.001 1.00 0.00 C ATOM 0 HA PRO A 110 3.657 -5.284 2.447 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.656 -4.182 4.792 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.799 -5.473 3.973 1.00 0.00 H new ATOM 0 HG2 PRO A 110 3.646 -5.633 6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 110 2.117 -6.450 6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 110 4.497 -7.717 5.697 1.00 0.00 H new ATOM 0 HD3 PRO A 110 3.081 -8.115 4.743 1.00 0.00 H new ATOM 1636 N SER A 111 5.062 -3.352 2.846 1.00 0.00 N ATOM 1637 CA SER A 111 6.031 -2.270 2.970 1.00 0.00 C ATOM 1638 C SER A 111 5.802 -1.479 4.254 1.00 0.00 C ATOM 1639 O SER A 111 4.917 -1.804 5.046 1.00 0.00 O ATOM 1640 CB SER A 111 5.944 -1.337 1.760 1.00 0.00 C ATOM 1641 OG SER A 111 4.601 -1.171 1.340 1.00 0.00 O ATOM 0 H SER A 111 4.470 -3.295 2.017 1.00 0.00 H new ATOM 0 HA SER A 111 7.027 -2.711 3.009 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.372 -0.367 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.537 -1.743 0.940 1.00 0.00 H new ATOM 0 HG SER A 111 4.074 -0.787 2.072 1.00 0.00 H new ATOM 1647 N GLU A 112 6.605 -0.438 4.453 1.00 0.00 N ATOM 1648 CA GLU A 112 6.490 0.399 5.641 1.00 0.00 C ATOM 1649 C GLU A 112 5.063 0.915 5.807 1.00 0.00 C ATOM 1650 O GLU A 112 4.167 0.547 5.049 1.00 0.00 O ATOM 1651 CB GLU A 112 7.464 1.576 5.559 1.00 0.00 C ATOM 1652 CG GLU A 112 8.830 1.278 6.152 1.00 0.00 C ATOM 1653 CD GLU A 112 9.710 2.510 6.240 1.00 0.00 C ATOM 1654 OE1 GLU A 112 10.344 2.860 5.223 1.00 0.00 O ATOM 1655 OE2 GLU A 112 9.763 3.124 7.326 1.00 0.00 O ATOM 0 H GLU A 112 7.342 -0.155 3.807 1.00 0.00 H new ATOM 0 HA GLU A 112 6.741 -0.210 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.586 1.864 4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.031 2.432 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 112 8.705 0.854 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.329 0.523 5.545 1.00 0.00 H new ATOM 1662 N ALA A 113 4.862 1.770 6.805 1.00 0.00 N ATOM 1663 CA ALA A 113 3.546 2.338 7.070 1.00 0.00 C ATOM 1664 C ALA A 113 3.500 3.815 6.695 1.00 0.00 C ATOM 1665 O ALA A 113 4.456 4.554 6.929 1.00 0.00 O ATOM 1666 CB ALA A 113 3.176 2.151 8.534 1.00 0.00 C ATOM 0 H ALA A 113 5.593 2.084 7.443 1.00 0.00 H new ATOM 0 HA ALA A 113 2.819 1.811 6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.191 2.580 8.718 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.159 1.087 8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 113 3.913 2.652 9.162 1.00 0.00 H new ATOM 1672 N GLU A 114 2.384 4.239 6.111 1.00 0.00 N ATOM 1673 CA GLU A 114 2.216 5.628 5.702 1.00 0.00 C ATOM 1674 C GLU A 114 1.070 6.285 6.466 1.00 0.00 C ATOM 1675 O GLU A 114 -0.088 5.888 6.332 1.00 0.00 O ATOM 1676 CB GLU A 114 1.954 5.712 4.197 1.00 0.00 C ATOM 1677 CG GLU A 114 1.835 7.136 3.678 1.00 0.00 C ATOM 1678 CD GLU A 114 0.446 7.712 3.871 1.00 0.00 C ATOM 1679 OE1 GLU A 114 0.149 8.181 4.990 1.00 0.00 O ATOM 1680 OE2 GLU A 114 -0.344 7.695 2.904 1.00 0.00 O ATOM 0 H GLU A 114 1.583 3.640 5.911 1.00 0.00 H new ATOM 0 HA GLU A 114 3.138 6.162 5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 114 2.762 5.208 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.036 5.172 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.561 7.768 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.088 7.155 2.618 1.00 0.00 H new ATOM 1687 N ILE A 115 1.402 7.292 7.268 1.00 0.00 N ATOM 1688 CA ILE A 115 0.402 8.004 8.053 1.00 0.00 C ATOM 1689 C ILE A 115 -0.118 9.226 7.303 1.00 0.00 C ATOM 1690 O ILE A 115 0.646 10.130 6.964 1.00 0.00 O ATOM 1691 CB ILE A 115 0.969 8.453 9.413 1.00 0.00 C ATOM 1692 CG1 ILE A 115 -0.136 9.073 10.271 1.00 0.00 C ATOM 1693 CG2 ILE A 115 2.108 9.442 9.212 1.00 0.00 C ATOM 1694 CD1 ILE A 115 0.083 8.897 11.757 1.00 0.00 C ATOM 0 H ILE A 115 2.356 7.633 7.391 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.420 7.308 8.223 1.00 0.00 H new ATOM 0 HB ILE A 115 1.360 7.579 9.933 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.206 10.137 10.046 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.092 8.626 9.997 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.498 9.750 10.182 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.903 8.969 8.635 1.00 0.00 H new ATOM 0 HG23 ILE A 115 1.740 10.316 8.675 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.738 9.361 12.303 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.123 7.834 11.996 1.00 0.00 H new ATOM 0 HD13 ILE A 115 1.022 9.369 12.045 1.00 0.00 H new ATOM 1706 N PHE A 116 -1.422 9.247 7.049 1.00 0.00 N ATOM 1707 CA PHE A 116 -2.045 10.358 6.340 1.00 0.00 C ATOM 1708 C PHE A 116 -3.338 10.786 7.028 1.00 0.00 C ATOM 1709 O PHE A 116 -4.280 10.002 7.148 1.00 0.00 O ATOM 1710 CB PHE A 116 -2.331 9.969 4.888 1.00 0.00 C ATOM 1711 CG PHE A 116 -3.358 8.881 4.751 1.00 0.00 C ATOM 1712 CD1 PHE A 116 -2.978 7.549 4.738 1.00 0.00 C ATOM 1713 CD2 PHE A 116 -4.703 9.191 4.633 1.00 0.00 C ATOM 1714 CE1 PHE A 116 -3.920 6.546 4.612 1.00 0.00 C ATOM 1715 CE2 PHE A 116 -5.650 8.192 4.508 1.00 0.00 C ATOM 1716 CZ PHE A 116 -5.258 6.868 4.496 1.00 0.00 C ATOM 0 H PHE A 116 -2.068 8.507 7.324 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.352 11.199 6.353 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.672 10.850 4.344 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.403 9.643 4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -1.933 7.291 4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -5.015 10.225 4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.610 5.511 4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -6.696 8.447 4.420 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.996 6.086 4.396 1.00 0.00 H new ATOM 1726 N THR A 117 -3.376 12.036 7.479 1.00 0.00 N ATOM 1727 CA THR A 117 -4.551 12.569 8.156 1.00 0.00 C ATOM 1728 C THR A 117 -5.606 13.021 7.153 1.00 0.00 C ATOM 1729 O THR A 117 -5.344 13.870 6.300 1.00 0.00 O ATOM 1730 CB THR A 117 -4.184 13.755 9.068 1.00 0.00 C ATOM 1731 OG1 THR A 117 -3.204 13.349 10.030 1.00 0.00 O ATOM 1732 CG2 THR A 117 -5.416 14.287 9.786 1.00 0.00 C ATOM 0 H THR A 117 -2.606 12.698 7.387 1.00 0.00 H new ATOM 0 HA THR A 117 -4.957 11.763 8.767 1.00 0.00 H new ATOM 0 HB THR A 117 -3.774 14.550 8.445 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.975 14.109 10.605 1.00 0.00 H new ATOM 0 HG21 THR A 117 -5.132 15.124 10.424 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.148 14.623 9.052 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.851 13.496 10.397 1.00 0.00 H new ATOM 1740 N THR A 118 -6.802 12.450 7.260 1.00 0.00 N ATOM 1741 CA THR A 118 -7.897 12.794 6.362 1.00 0.00 C ATOM 1742 C THR A 118 -8.681 13.992 6.885 1.00 0.00 C ATOM 1743 O THR A 118 -8.811 14.181 8.095 1.00 0.00 O ATOM 1744 CB THR A 118 -8.861 11.607 6.172 1.00 0.00 C ATOM 1745 OG1 THR A 118 -9.311 11.133 7.445 1.00 0.00 O ATOM 1746 CG2 THR A 118 -8.183 10.476 5.414 1.00 0.00 C ATOM 0 H THR A 118 -7.037 11.747 7.960 1.00 0.00 H new ATOM 0 HA THR A 118 -7.450 13.047 5.401 1.00 0.00 H new ATOM 0 HB THR A 118 -9.716 11.951 5.591 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.127 10.603 7.327 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.883 9.649 5.292 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.868 10.833 4.433 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.312 10.134 5.973 1.00 0.00 H new ATOM 1754 N LEU A 119 -9.202 14.798 5.967 1.00 0.00 N ATOM 1755 CA LEU A 119 -9.975 15.979 6.336 1.00 0.00 C ATOM 1756 C LEU A 119 -11.364 15.588 6.829 1.00 0.00 C ATOM 1757 O LEU A 119 -11.760 14.426 6.743 1.00 0.00 O ATOM 1758 CB LEU A 119 -10.094 16.928 5.142 1.00 0.00 C ATOM 1759 CG LEU A 119 -10.119 16.271 3.762 1.00 0.00 C ATOM 1760 CD1 LEU A 119 -10.932 17.108 2.786 1.00 0.00 C ATOM 1761 CD2 LEU A 119 -8.704 16.067 3.242 1.00 0.00 C ATOM 0 H LEU A 119 -9.103 14.656 4.962 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.452 16.487 7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -11.005 17.515 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.258 17.627 5.174 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.595 15.295 3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.938 16.624 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.955 17.202 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.486 18.099 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.742 15.598 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.202 17.031 3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.153 15.425 3.929 1.00 0.00 H new ATOM 1773 N SER A 120 -12.100 16.567 7.346 1.00 0.00 N ATOM 1774 CA SER A 120 -13.445 16.325 7.855 1.00 0.00 C ATOM 1775 C SER A 120 -14.466 16.339 6.721 1.00 0.00 C ATOM 1776 O SER A 120 -14.235 16.938 5.670 1.00 0.00 O ATOM 1777 CB SER A 120 -13.814 17.379 8.901 1.00 0.00 C ATOM 1778 OG SER A 120 -13.351 17.005 10.187 1.00 0.00 O ATOM 0 H SER A 120 -11.788 17.535 7.423 1.00 0.00 H new ATOM 0 HA SER A 120 -13.459 15.340 8.321 1.00 0.00 H new ATOM 0 HB2 SER A 120 -13.383 18.340 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.896 17.510 8.924 1.00 0.00 H new ATOM 0 HG SER A 120 -14.042 16.482 10.644 1.00 0.00 H new ATOM 1784 N CYS A 121 -15.594 15.673 6.941 1.00 0.00 N ATOM 1785 CA CYS A 121 -16.651 15.607 5.938 1.00 0.00 C ATOM 1786 C CYS A 121 -16.728 16.906 5.142 1.00 0.00 C ATOM 1787 O CYS A 121 -16.774 16.889 3.913 1.00 0.00 O ATOM 1788 CB CYS A 121 -17.998 15.323 6.605 1.00 0.00 C ATOM 1789 SG CYS A 121 -19.339 14.977 5.442 1.00 0.00 S ATOM 0 H CYS A 121 -15.800 15.171 7.805 1.00 0.00 H new ATOM 0 HA CYS A 121 -16.415 14.795 5.251 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -17.886 14.473 7.278 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -18.276 16.180 7.218 1.00 0.00 H new ATOM 0 HG CYS A 121 -20.436 14.748 6.101 1.00 0.00 H new