USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 611 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 54 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -148:sc= -0.101 (180deg=-1.01) USER MOD Single : A 6 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.8!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 15 SER OG : rot 180:sc= -0.137 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -157:sc= -1.92! (180deg=-3.75!) USER MOD Single : A 38 SER OG : rot -111:sc= 0.634 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0479 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.6!) USER MOD Single : A 52 ASN : amide:sc= -0.047 K(o=-0.047,f=-1.4!) USER MOD Single : A 70 SER OG : rot -89:sc= 0.462 USER MOD Single : A 72 THR OG1 : rot 104:sc= 0.011 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0083 X(o=-0.0083,f=0) USER MOD Single : A 86 MET CE :methyl -142:sc= -0.685 (180deg=-5.56!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -14.991 7.552 -9.820 1.00 0.00 N ATOM 56 CA ASP A 5 -14.838 7.986 -8.406 1.00 0.00 C ATOM 57 C ASP A 5 -13.657 7.208 -7.764 1.00 0.00 C ATOM 58 O ASP A 5 -12.938 7.741 -6.911 1.00 0.00 O ATOM 59 CB ASP A 5 -16.165 7.822 -7.609 1.00 0.00 C ATOM 60 CG ASP A 5 -17.138 9.012 -7.661 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.918 9.938 -8.473 1.00 0.00 O ATOM 62 OD2 ASP A 5 -18.126 9.021 -6.894 1.00 0.00 O ATOM 0 HA ASP A 5 -14.607 9.051 -8.376 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.683 6.939 -7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.917 7.627 -6.566 1.00 0.00 H new ATOM 67 N GLN A 6 -13.494 5.935 -8.168 1.00 0.00 N ATOM 68 CA GLN A 6 -12.489 5.011 -7.577 1.00 0.00 C ATOM 69 C GLN A 6 -11.110 5.725 -7.558 1.00 0.00 C ATOM 70 O GLN A 6 -10.349 5.602 -6.591 1.00 0.00 O ATOM 71 CB GLN A 6 -12.455 3.673 -8.371 1.00 0.00 C ATOM 72 CG GLN A 6 -11.051 3.149 -8.763 1.00 0.00 C ATOM 73 CD GLN A 6 -10.578 3.579 -10.163 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.383 3.889 -11.042 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.276 3.604 -10.403 1.00 0.00 N ATOM 0 H GLN A 6 -14.050 5.512 -8.911 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.757 4.758 -6.551 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.953 2.908 -7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.041 3.799 -9.282 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.328 3.498 -8.026 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.056 2.060 -8.714 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.617 3.346 -9.669 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.932 3.882 -11.322 1.00 0.00 H new ATOM 84 N GLN A 7 -10.805 6.462 -8.642 1.00 0.00 N ATOM 85 CA GLN A 7 -9.482 7.114 -8.838 1.00 0.00 C ATOM 86 C GLN A 7 -9.601 8.622 -8.484 1.00 0.00 C ATOM 87 O GLN A 7 -8.621 9.247 -8.059 1.00 0.00 O ATOM 88 CB GLN A 7 -8.985 6.957 -10.304 1.00 0.00 C ATOM 89 CG GLN A 7 -9.430 8.058 -11.293 1.00 0.00 C ATOM 90 CD GLN A 7 -9.944 7.482 -12.624 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.267 6.690 -13.280 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.137 7.866 -13.054 1.00 0.00 N ATOM 0 H GLN A 7 -11.460 6.626 -9.407 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.757 6.630 -8.184 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.896 6.923 -10.295 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.331 5.995 -10.683 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.215 8.659 -10.834 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.591 8.726 -11.490 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.691 8.523 -12.504 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.502 7.505 -13.935 1.00 0.00 H new ATOM 101 N ALA A 8 -10.803 9.197 -8.674 1.00 0.00 N ATOM 102 CA ALA A 8 -11.073 10.633 -8.391 1.00 0.00 C ATOM 103 C ALA A 8 -10.521 11.026 -6.993 1.00 0.00 C ATOM 104 O ALA A 8 -10.091 12.166 -6.783 1.00 0.00 O ATOM 105 CB ALA A 8 -12.589 10.888 -8.500 1.00 0.00 C ATOM 0 H ALA A 8 -11.615 8.689 -9.026 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.561 11.259 -9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.797 11.938 -8.294 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.928 10.641 -9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.116 10.265 -7.777 1.00 0.00 H new ATOM 111 N GLU A 9 -10.568 10.075 -6.042 1.00 0.00 N ATOM 112 CA GLU A 9 -10.174 10.311 -4.627 1.00 0.00 C ATOM 113 C GLU A 9 -8.655 10.626 -4.558 1.00 0.00 C ATOM 114 O GLU A 9 -8.250 11.684 -4.060 1.00 0.00 O ATOM 115 CB GLU A 9 -10.553 9.108 -3.715 1.00 0.00 C ATOM 116 CG GLU A 9 -9.808 7.779 -3.982 1.00 0.00 C ATOM 117 CD GLU A 9 -10.426 6.585 -3.250 1.00 0.00 C ATOM 118 OE1 GLU A 9 -11.630 6.637 -2.915 1.00 0.00 O ATOM 119 OE2 GLU A 9 -9.712 5.586 -3.009 1.00 0.00 O ATOM 0 H GLU A 9 -10.879 9.121 -6.225 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.728 11.170 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.376 9.396 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.623 8.926 -3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.807 7.579 -5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.767 7.885 -3.676 1.00 0.00 H new ATOM 126 N ALA A 10 -7.824 9.681 -5.036 1.00 0.00 N ATOM 127 CA ALA A 10 -6.343 9.772 -4.942 1.00 0.00 C ATOM 128 C ALA A 10 -5.795 10.921 -5.832 1.00 0.00 C ATOM 129 O ALA A 10 -4.686 11.418 -5.593 1.00 0.00 O ATOM 130 CB ALA A 10 -5.736 8.409 -5.336 1.00 0.00 C ATOM 0 H ALA A 10 -8.152 8.833 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.056 10.007 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.649 8.462 -5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.103 7.638 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.027 8.163 -6.357 1.00 0.00 H new ATOM 136 N ARG A 11 -6.561 11.311 -6.867 1.00 0.00 N ATOM 137 CA ARG A 11 -6.130 12.312 -7.879 1.00 0.00 C ATOM 138 C ARG A 11 -6.288 13.728 -7.260 1.00 0.00 C ATOM 139 O ARG A 11 -5.449 14.610 -7.484 1.00 0.00 O ATOM 140 CB ARG A 11 -6.966 12.165 -9.182 1.00 0.00 C ATOM 141 CG ARG A 11 -7.149 13.463 -10.001 1.00 0.00 C ATOM 142 CD ARG A 11 -7.396 13.191 -11.498 1.00 0.00 C ATOM 143 NE ARG A 11 -7.128 14.392 -12.329 1.00 0.00 N ATOM 144 CZ ARG A 11 -6.511 14.373 -13.528 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.642 13.340 -14.350 1.00 0.00 N ATOM 146 NH2 ARG A 11 -5.799 15.410 -13.947 1.00 0.00 N ATOM 0 H ARG A 11 -7.499 10.945 -7.032 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.087 12.150 -8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.489 11.419 -9.817 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.951 11.779 -8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.988 14.029 -9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.261 14.086 -9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.758 12.371 -11.828 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.428 12.871 -11.644 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.432 15.296 -11.967 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.217 12.542 -14.079 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.168 13.343 -15.253 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.711 16.239 -13.360 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.339 15.379 -14.857 1.00 0.00 H new ATOM 160 N ALA A 12 -7.387 13.932 -6.509 1.00 0.00 N ATOM 161 CA ALA A 12 -7.734 15.255 -5.925 1.00 0.00 C ATOM 162 C ALA A 12 -6.747 15.600 -4.776 1.00 0.00 C ATOM 163 O ALA A 12 -6.453 16.775 -4.528 1.00 0.00 O ATOM 164 CB ALA A 12 -9.196 15.231 -5.439 1.00 0.00 C ATOM 0 H ALA A 12 -8.058 13.196 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.642 16.035 -6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.453 16.200 -5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.856 15.020 -6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.315 14.456 -4.682 1.00 0.00 H new ATOM 170 N PHE A 13 -6.259 14.560 -4.075 1.00 0.00 N ATOM 171 CA PHE A 13 -5.319 14.720 -2.933 1.00 0.00 C ATOM 172 C PHE A 13 -3.888 14.992 -3.473 1.00 0.00 C ATOM 173 O PHE A 13 -3.203 15.915 -3.016 1.00 0.00 O ATOM 174 CB PHE A 13 -5.403 13.457 -2.028 1.00 0.00 C ATOM 175 CG PHE A 13 -4.618 13.545 -0.704 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.545 14.434 -0.572 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.962 12.721 0.376 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.834 14.504 0.624 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.248 12.793 1.570 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.188 13.686 1.694 1.00 0.00 C ATOM 0 H PHE A 13 -6.498 13.589 -4.276 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.590 15.578 -2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.451 13.263 -1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.037 12.600 -2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.267 15.068 -1.401 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.784 12.027 0.282 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.008 15.193 0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.517 12.156 2.399 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.639 13.745 2.622 1.00 0.00 H new ATOM 190 N LEU A 14 -3.454 14.167 -4.445 1.00 0.00 N ATOM 191 CA LEU A 14 -2.089 14.237 -5.029 1.00 0.00 C ATOM 192 C LEU A 14 -2.161 15.109 -6.312 1.00 0.00 C ATOM 193 O LEU A 14 -2.755 14.703 -7.318 1.00 0.00 O ATOM 194 CB LEU A 14 -1.536 12.811 -5.329 1.00 0.00 C ATOM 195 CG LEU A 14 -1.832 11.692 -4.288 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.080 10.320 -4.948 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.695 11.578 -3.252 1.00 0.00 C ATOM 0 H LEU A 14 -4.034 13.433 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.397 14.691 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.937 12.490 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.455 12.887 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.750 11.985 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.281 9.576 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.936 10.388 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.198 10.024 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.931 10.788 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.239 11.340 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.589 12.525 -2.723 1.00 0.00 H new ATOM 209 N SER A 15 -1.522 16.293 -6.265 1.00 0.00 N ATOM 210 CA SER A 15 -1.507 17.253 -7.400 1.00 0.00 C ATOM 211 C SER A 15 -0.555 16.737 -8.514 1.00 0.00 C ATOM 212 O SER A 15 -0.271 15.536 -8.596 1.00 0.00 O ATOM 213 CB SER A 15 -1.103 18.653 -6.883 1.00 0.00 C ATOM 214 OG SER A 15 0.306 18.846 -6.948 1.00 0.00 O ATOM 0 H SER A 15 -1.003 16.615 -5.448 1.00 0.00 H new ATOM 0 HA SER A 15 -2.502 17.336 -7.838 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.604 19.419 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.441 18.773 -5.854 1.00 0.00 H new ATOM 0 HG SER A 15 0.529 19.741 -6.616 1.00 0.00 H new ATOM 220 N GLU A 16 -0.097 17.658 -9.382 1.00 0.00 N ATOM 221 CA GLU A 16 0.793 17.327 -10.527 1.00 0.00 C ATOM 222 C GLU A 16 2.252 17.207 -10.008 1.00 0.00 C ATOM 223 O GLU A 16 3.026 16.376 -10.501 1.00 0.00 O ATOM 224 CB GLU A 16 0.621 18.375 -11.663 1.00 0.00 C ATOM 225 CG GLU A 16 1.398 18.105 -12.974 1.00 0.00 C ATOM 226 CD GLU A 16 0.835 18.833 -14.199 1.00 0.00 C ATOM 227 OE1 GLU A 16 0.260 19.933 -14.038 1.00 0.00 O ATOM 228 OE2 GLU A 16 0.968 18.310 -15.328 1.00 0.00 O ATOM 0 H GLU A 16 -0.328 18.649 -9.316 1.00 0.00 H new ATOM 0 HA GLU A 16 0.523 16.366 -10.965 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.440 18.447 -11.904 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.927 19.348 -11.279 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.437 18.402 -12.835 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.396 17.033 -13.170 1.00 0.00 H new ATOM 235 N GLU A 17 2.604 18.049 -9.014 1.00 0.00 N ATOM 236 CA GLU A 17 3.995 18.131 -8.487 1.00 0.00 C ATOM 237 C GLU A 17 4.265 16.861 -7.634 1.00 0.00 C ATOM 238 O GLU A 17 5.383 16.333 -7.624 1.00 0.00 O ATOM 239 CB GLU A 17 4.225 19.460 -7.709 1.00 0.00 C ATOM 240 CG GLU A 17 4.541 20.714 -8.559 1.00 0.00 C ATOM 241 CD GLU A 17 4.173 22.038 -7.882 1.00 0.00 C ATOM 242 OE1 GLU A 17 3.232 22.056 -7.059 1.00 0.00 O ATOM 243 OE2 GLU A 17 4.826 23.066 -8.169 1.00 0.00 O ATOM 0 H GLU A 17 1.950 18.684 -8.556 1.00 0.00 H new ATOM 0 HA GLU A 17 4.715 18.153 -9.305 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.334 19.666 -7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.046 19.307 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.605 20.722 -8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.006 20.642 -9.506 1.00 0.00 H new ATOM 250 N MET A 18 3.218 16.368 -6.947 1.00 0.00 N ATOM 251 CA MET A 18 3.293 15.129 -6.128 1.00 0.00 C ATOM 252 C MET A 18 3.272 13.914 -7.095 1.00 0.00 C ATOM 253 O MET A 18 3.885 12.876 -6.816 1.00 0.00 O ATOM 254 CB MET A 18 2.146 15.070 -5.080 1.00 0.00 C ATOM 255 CG MET A 18 1.712 16.422 -4.483 1.00 0.00 C ATOM 256 SD MET A 18 3.163 17.364 -3.962 1.00 0.00 S ATOM 257 CE MET A 18 2.896 17.467 -2.180 1.00 0.00 C ATOM 0 H MET A 18 2.298 16.809 -6.939 1.00 0.00 H new ATOM 0 HA MET A 18 4.218 15.114 -5.552 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.277 14.605 -5.546 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.458 14.418 -4.264 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.146 16.990 -5.222 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.051 16.257 -3.632 1.00 0.00 H new ATOM 0 HE1 MET A 18 3.714 18.022 -1.721 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.954 17.979 -1.982 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.858 16.462 -1.759 1.00 0.00 H new ATOM 267 N ILE A 19 2.535 14.050 -8.214 1.00 0.00 N ATOM 268 CA ILE A 19 2.375 12.970 -9.225 1.00 0.00 C ATOM 269 C ILE A 19 3.793 12.677 -9.784 1.00 0.00 C ATOM 270 O ILE A 19 4.116 11.526 -10.107 1.00 0.00 O ATOM 271 CB ILE A 19 1.298 13.339 -10.315 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.156 12.974 -9.875 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.609 12.705 -11.698 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.361 12.735 -8.370 1.00 0.00 C ATOM 0 H ILE A 19 2.033 14.906 -8.448 1.00 0.00 H new ATOM 0 HA ILE A 19 1.975 12.057 -8.784 1.00 0.00 H new ATOM 0 HB ILE A 19 1.356 14.423 -10.417 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.823 13.777 -10.190 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.463 12.076 -10.411 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.836 12.991 -12.411 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.578 13.059 -12.051 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.632 11.619 -11.604 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.406 12.489 -8.180 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.271 11.910 -8.043 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.094 13.637 -7.819 1.00 0.00 H new ATOM 286 N ALA A 20 4.622 13.728 -9.925 1.00 0.00 N ATOM 287 CA ALA A 20 5.967 13.630 -10.552 1.00 0.00 C ATOM 288 C ALA A 20 6.900 12.704 -9.724 1.00 0.00 C ATOM 289 O ALA A 20 7.886 12.175 -10.257 1.00 0.00 O ATOM 290 CB ALA A 20 6.556 15.049 -10.696 1.00 0.00 C ATOM 0 H ALA A 20 4.386 14.669 -9.611 1.00 0.00 H new ATOM 0 HA ALA A 20 5.878 13.182 -11.542 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.543 14.988 -11.155 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.900 15.653 -11.323 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.641 15.509 -9.712 1.00 0.00 H new ATOM 296 N GLU A 21 6.602 12.542 -8.422 1.00 0.00 N ATOM 297 CA GLU A 21 7.441 11.743 -7.489 1.00 0.00 C ATOM 298 C GLU A 21 7.229 10.233 -7.780 1.00 0.00 C ATOM 299 O GLU A 21 8.135 9.417 -7.559 1.00 0.00 O ATOM 300 CB GLU A 21 7.131 12.141 -6.016 1.00 0.00 C ATOM 301 CG GLU A 21 7.764 13.459 -5.510 1.00 0.00 C ATOM 302 CD GLU A 21 7.781 13.603 -3.985 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.740 13.348 -3.341 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.836 13.975 -3.425 1.00 0.00 O ATOM 0 H GLU A 21 5.780 12.955 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 21 8.499 11.955 -7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.049 12.216 -5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.463 11.331 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.787 13.524 -5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.216 14.299 -5.937 1.00 0.00 H new ATOM 311 N PHE A 22 6.021 9.866 -8.248 1.00 0.00 N ATOM 312 CA PHE A 22 5.624 8.446 -8.453 1.00 0.00 C ATOM 313 C PHE A 22 5.997 8.010 -9.896 1.00 0.00 C ATOM 314 O PHE A 22 6.358 6.848 -10.125 1.00 0.00 O ATOM 315 CB PHE A 22 4.104 8.262 -8.160 1.00 0.00 C ATOM 316 CG PHE A 22 3.711 8.305 -6.669 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.885 9.479 -5.927 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.201 7.165 -6.037 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.586 9.502 -4.568 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.911 7.188 -4.675 1.00 0.00 C ATOM 321 CZ PHE A 22 3.096 8.358 -3.943 1.00 0.00 C ATOM 0 H PHE A 22 5.292 10.535 -8.495 1.00 0.00 H new ATOM 0 HA PHE A 22 6.164 7.805 -7.756 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.552 9.040 -8.687 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.783 7.307 -8.576 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.253 10.371 -6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.032 6.264 -6.608 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.734 10.407 -3.998 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.543 6.298 -4.186 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.859 8.378 -2.889 1.00 0.00 H new ATOM 331 N LYS A 23 5.892 8.946 -10.857 1.00 0.00 N ATOM 332 CA LYS A 23 6.093 8.659 -12.304 1.00 0.00 C ATOM 333 C LYS A 23 7.572 8.232 -12.510 1.00 0.00 C ATOM 334 O LYS A 23 7.869 7.371 -13.347 1.00 0.00 O ATOM 335 CB LYS A 23 5.739 9.891 -13.188 1.00 0.00 C ATOM 336 CG LYS A 23 6.399 11.240 -12.812 1.00 0.00 C ATOM 337 CD LYS A 23 7.869 11.388 -13.256 1.00 0.00 C ATOM 338 CE LYS A 23 8.082 12.567 -14.223 1.00 0.00 C ATOM 339 NZ LYS A 23 8.162 12.110 -15.621 1.00 0.00 N ATOM 0 H LYS A 23 5.667 9.921 -10.662 1.00 0.00 H new ATOM 0 HA LYS A 23 5.424 7.855 -12.612 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.009 9.657 -14.218 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.658 10.025 -13.165 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.817 12.049 -13.255 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.347 11.365 -11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.498 11.527 -12.376 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.193 10.465 -13.737 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.263 13.278 -14.118 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.998 13.095 -13.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.306 12.929 -16.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.959 11.450 -15.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.278 11.628 -15.880 1.00 0.00 H new ATOM 353 N ALA A 24 8.488 8.844 -11.736 1.00 0.00 N ATOM 354 CA ALA A 24 9.934 8.495 -11.762 1.00 0.00 C ATOM 355 C ALA A 24 10.112 6.962 -11.589 1.00 0.00 C ATOM 356 O ALA A 24 10.638 6.276 -12.475 1.00 0.00 O ATOM 357 CB ALA A 24 10.665 9.288 -10.661 1.00 0.00 C ATOM 0 H ALA A 24 8.257 9.589 -11.078 1.00 0.00 H new ATOM 0 HA ALA A 24 10.371 8.766 -12.723 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.726 9.037 -10.675 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.543 10.356 -10.840 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.244 9.033 -9.688 1.00 0.00 H new ATOM 363 N ALA A 25 9.655 6.437 -10.437 1.00 0.00 N ATOM 364 CA ALA A 25 9.804 5.003 -10.077 1.00 0.00 C ATOM 365 C ALA A 25 8.813 4.113 -10.878 1.00 0.00 C ATOM 366 O ALA A 25 8.960 2.882 -10.882 1.00 0.00 O ATOM 367 CB ALA A 25 9.599 4.850 -8.554 1.00 0.00 C ATOM 0 H ALA A 25 9.172 6.988 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 25 10.806 4.665 -10.340 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.706 3.801 -8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.345 5.443 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.602 5.197 -8.284 1.00 0.00 H new ATOM 373 N PHE A 26 7.806 4.727 -11.526 1.00 0.00 N ATOM 374 CA PHE A 26 6.724 3.989 -12.233 1.00 0.00 C ATOM 375 C PHE A 26 7.327 3.342 -13.509 1.00 0.00 C ATOM 376 O PHE A 26 6.967 2.215 -13.874 1.00 0.00 O ATOM 377 CB PHE A 26 5.522 4.926 -12.563 1.00 0.00 C ATOM 378 CG PHE A 26 4.501 4.349 -13.568 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.492 3.484 -13.128 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.558 4.701 -14.922 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.544 2.995 -14.024 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.607 4.214 -15.815 1.00 0.00 C ATOM 383 CZ PHE A 26 2.614 3.345 -15.370 1.00 0.00 C ATOM 0 H PHE A 26 7.713 5.741 -11.579 1.00 0.00 H new ATOM 0 HA PHE A 26 6.327 3.205 -11.589 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.001 5.164 -11.636 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.910 5.864 -12.961 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.448 3.194 -12.088 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.343 5.353 -15.275 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.755 2.345 -13.675 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.640 4.510 -16.853 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.897 2.942 -16.070 1.00 0.00 H new ATOM 393 N ASP A 27 8.221 4.079 -14.195 1.00 0.00 N ATOM 394 CA ASP A 27 8.902 3.590 -15.424 1.00 0.00 C ATOM 395 C ASP A 27 9.970 2.538 -15.017 1.00 0.00 C ATOM 396 O ASP A 27 10.237 1.591 -15.766 1.00 0.00 O ATOM 397 CB ASP A 27 9.500 4.761 -16.255 1.00 0.00 C ATOM 398 CG ASP A 27 10.888 5.261 -15.819 1.00 0.00 C ATOM 399 OD1 ASP A 27 11.900 4.602 -16.145 1.00 0.00 O ATOM 400 OD2 ASP A 27 10.968 6.318 -15.154 1.00 0.00 O ATOM 0 H ASP A 27 8.495 5.023 -13.922 1.00 0.00 H new ATOM 0 HA ASP A 27 8.175 3.111 -16.080 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.560 4.446 -17.297 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.805 5.600 -16.215 1.00 0.00 H new ATOM 405 N MET A 28 10.583 2.732 -13.831 1.00 0.00 N ATOM 406 CA MET A 28 11.562 1.766 -13.261 1.00 0.00 C ATOM 407 C MET A 28 10.834 0.408 -13.069 1.00 0.00 C ATOM 408 O MET A 28 11.433 -0.660 -13.246 1.00 0.00 O ATOM 409 CB MET A 28 12.190 2.287 -11.937 1.00 0.00 C ATOM 410 CG MET A 28 13.625 1.814 -11.641 1.00 0.00 C ATOM 411 SD MET A 28 14.076 2.228 -9.941 1.00 0.00 S ATOM 412 CE MET A 28 13.324 3.859 -9.763 1.00 0.00 C ATOM 0 H MET A 28 10.421 3.550 -13.243 1.00 0.00 H new ATOM 0 HA MET A 28 12.399 1.639 -13.947 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.185 3.377 -11.959 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.550 1.982 -11.109 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.700 0.737 -11.794 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.322 2.284 -12.335 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.831 4.409 -8.970 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.417 4.407 -10.701 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.269 3.748 -9.511 1.00 0.00 H new ATOM 422 N PHE A 29 9.546 0.466 -12.681 1.00 0.00 N ATOM 423 CA PHE A 29 8.726 -0.744 -12.407 1.00 0.00 C ATOM 424 C PHE A 29 8.450 -1.465 -13.755 1.00 0.00 C ATOM 425 O PHE A 29 8.392 -2.699 -13.810 1.00 0.00 O ATOM 426 CB PHE A 29 7.409 -0.365 -11.666 1.00 0.00 C ATOM 427 CG PHE A 29 6.700 -1.527 -10.943 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.108 -1.920 -9.662 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.631 -2.192 -11.555 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.450 -2.956 -9.003 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.976 -3.227 -10.893 1.00 0.00 C ATOM 432 CZ PHE A 29 5.386 -3.608 -9.618 1.00 0.00 C ATOM 0 H PHE A 29 9.042 1.342 -12.548 1.00 0.00 H new ATOM 0 HA PHE A 29 9.266 -1.423 -11.747 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.634 0.412 -10.935 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.717 0.067 -12.389 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.936 -1.418 -9.183 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.313 -1.901 -12.545 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.766 -3.253 -8.014 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.150 -3.734 -11.369 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.877 -4.411 -9.106 1.00 0.00 H new ATOM 442 N ASP A 30 8.279 -0.675 -14.830 1.00 0.00 N ATOM 443 CA ASP A 30 7.986 -1.202 -16.190 1.00 0.00 C ATOM 444 C ASP A 30 9.278 -1.842 -16.765 1.00 0.00 C ATOM 445 O ASP A 30 10.391 -1.511 -16.336 1.00 0.00 O ATOM 446 CB ASP A 30 7.399 -0.098 -17.118 1.00 0.00 C ATOM 447 CG ASP A 30 6.338 -0.559 -18.131 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.711 -1.619 -17.913 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.125 0.144 -19.145 1.00 0.00 O ATOM 0 H ASP A 30 8.338 0.342 -14.789 1.00 0.00 H new ATOM 0 HA ASP A 30 7.216 -1.971 -16.128 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.961 0.679 -16.492 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.221 0.361 -17.667 1.00 0.00 H new ATOM 454 N ALA A 31 9.111 -2.773 -17.723 1.00 0.00 N ATOM 455 CA ALA A 31 10.247 -3.477 -18.377 1.00 0.00 C ATOM 456 C ALA A 31 9.973 -3.691 -19.892 1.00 0.00 C ATOM 457 O ALA A 31 10.561 -4.588 -20.511 1.00 0.00 O ATOM 458 CB ALA A 31 10.488 -4.815 -17.649 1.00 0.00 C ATOM 0 H ALA A 31 8.196 -3.062 -18.068 1.00 0.00 H new ATOM 0 HA ALA A 31 11.147 -2.866 -18.305 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.319 -5.341 -18.120 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.726 -4.622 -16.603 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.589 -5.429 -17.709 1.00 0.00 H new ATOM 464 N ASP A 32 9.086 -2.865 -20.473 1.00 0.00 N ATOM 465 CA ASP A 32 8.775 -2.882 -21.928 1.00 0.00 C ATOM 466 C ASP A 32 8.687 -1.417 -22.435 1.00 0.00 C ATOM 467 O ASP A 32 9.669 -0.859 -22.939 1.00 0.00 O ATOM 468 CB ASP A 32 7.483 -3.697 -22.224 1.00 0.00 C ATOM 469 CG ASP A 32 6.496 -3.847 -21.052 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.796 -4.610 -20.106 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.421 -3.210 -21.080 1.00 0.00 O ATOM 0 H ASP A 32 8.559 -2.163 -19.953 1.00 0.00 H new ATOM 0 HA ASP A 32 9.573 -3.389 -22.471 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.960 -3.223 -23.055 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.774 -4.693 -22.558 1.00 0.00 H new ATOM 476 N GLY A 33 7.503 -0.796 -22.266 1.00 0.00 N ATOM 477 CA GLY A 33 7.259 0.607 -22.693 1.00 0.00 C ATOM 478 C GLY A 33 7.273 1.583 -21.487 1.00 0.00 C ATOM 479 O GLY A 33 8.334 1.900 -20.935 1.00 0.00 O ATOM 0 H GLY A 33 6.693 -1.242 -21.835 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.021 0.906 -23.413 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.297 0.671 -23.202 1.00 0.00 H new ATOM 483 N GLY A 34 6.076 2.058 -21.087 1.00 0.00 N ATOM 484 CA GLY A 34 5.935 3.083 -20.023 1.00 0.00 C ATOM 485 C GLY A 34 4.440 3.313 -19.688 1.00 0.00 C ATOM 486 O GLY A 34 4.069 3.500 -18.523 1.00 0.00 O ATOM 0 H GLY A 34 5.188 1.749 -21.484 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.470 2.763 -19.128 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.389 4.019 -20.348 1.00 0.00 H new ATOM 490 N GLY A 35 3.586 3.299 -20.730 1.00 0.00 N ATOM 491 CA GLY A 35 2.142 3.612 -20.597 1.00 0.00 C ATOM 492 C GLY A 35 1.514 2.835 -19.412 1.00 0.00 C ATOM 493 O GLY A 35 0.915 3.436 -18.509 1.00 0.00 O ATOM 0 H GLY A 35 3.871 3.073 -21.683 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.011 4.683 -20.445 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.624 3.355 -21.521 1.00 0.00 H new ATOM 497 N ASP A 36 1.660 1.497 -19.433 1.00 0.00 N ATOM 498 CA ASP A 36 1.028 0.591 -18.437 1.00 0.00 C ATOM 499 C ASP A 36 2.038 -0.529 -18.067 1.00 0.00 C ATOM 500 O ASP A 36 2.955 -0.832 -18.840 1.00 0.00 O ATOM 501 CB ASP A 36 -0.328 0.028 -18.954 1.00 0.00 C ATOM 502 CG ASP A 36 -0.362 -0.406 -20.429 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.482 -1.235 -20.835 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.228 0.086 -21.186 1.00 0.00 O ATOM 0 H ASP A 36 2.216 1.008 -20.135 1.00 0.00 H new ATOM 0 HA ASP A 36 0.786 1.151 -17.534 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.601 -0.829 -18.338 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.095 0.787 -18.802 1.00 0.00 H new ATOM 509 N ILE A 37 1.856 -1.133 -16.878 1.00 0.00 N ATOM 510 CA ILE A 37 2.667 -2.286 -16.402 1.00 0.00 C ATOM 511 C ILE A 37 1.924 -3.607 -16.745 1.00 0.00 C ATOM 512 O ILE A 37 0.942 -3.600 -17.498 1.00 0.00 O ATOM 513 CB ILE A 37 3.077 -2.196 -14.885 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.943 -0.780 -14.239 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.484 -2.800 -14.649 1.00 0.00 C ATOM 516 CD1 ILE A 37 4.038 -0.399 -13.229 1.00 0.00 C ATOM 0 H ILE A 37 1.141 -0.839 -16.212 1.00 0.00 H new ATOM 0 HA ILE A 37 3.620 -2.264 -16.931 1.00 0.00 H new ATOM 0 HB ILE A 37 2.337 -2.801 -14.361 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.936 -0.037 -15.036 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.977 -0.720 -13.739 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.740 -2.724 -13.592 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.485 -3.848 -14.948 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.218 -2.254 -15.241 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.846 0.603 -12.844 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.036 -1.111 -12.404 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.010 -0.418 -13.722 1.00 0.00 H new ATOM 528 N SER A 38 2.385 -4.730 -16.162 1.00 0.00 N ATOM 529 CA SER A 38 1.728 -6.055 -16.324 1.00 0.00 C ATOM 530 C SER A 38 2.179 -7.009 -15.184 1.00 0.00 C ATOM 531 O SER A 38 2.720 -6.564 -14.165 1.00 0.00 O ATOM 532 CB SER A 38 2.048 -6.621 -17.726 1.00 0.00 C ATOM 533 OG SER A 38 3.123 -7.553 -17.680 1.00 0.00 O ATOM 0 H SER A 38 3.215 -4.752 -15.570 1.00 0.00 H new ATOM 0 HA SER A 38 0.645 -5.951 -16.250 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.162 -7.106 -18.134 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.303 -5.803 -18.400 1.00 0.00 H new ATOM 0 HG SER A 38 3.907 -7.170 -18.126 1.00 0.00 H new ATOM 539 N THR A 39 1.944 -8.320 -15.379 1.00 0.00 N ATOM 540 CA THR A 39 2.305 -9.374 -14.395 1.00 0.00 C ATOM 541 C THR A 39 3.789 -9.778 -14.615 1.00 0.00 C ATOM 542 O THR A 39 4.555 -9.910 -13.652 1.00 0.00 O ATOM 543 CB THR A 39 1.333 -10.595 -14.460 1.00 0.00 C ATOM 544 OG1 THR A 39 0.599 -10.590 -15.682 1.00 0.00 O ATOM 545 CG2 THR A 39 0.325 -10.694 -13.300 1.00 0.00 C ATOM 0 H THR A 39 1.499 -8.685 -16.221 1.00 0.00 H new ATOM 0 HA THR A 39 2.197 -8.977 -13.386 1.00 0.00 H new ATOM 0 HB THR A 39 1.990 -11.461 -14.385 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.003 -11.363 -15.705 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.303 -11.574 -13.438 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.864 -10.777 -12.356 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.300 -9.801 -13.284 1.00 0.00 H new ATOM 553 N LYS A 40 4.179 -9.975 -15.888 1.00 0.00 N ATOM 554 CA LYS A 40 5.564 -10.368 -16.261 1.00 0.00 C ATOM 555 C LYS A 40 6.562 -9.425 -15.535 1.00 0.00 C ATOM 556 O LYS A 40 7.365 -9.869 -14.706 1.00 0.00 O ATOM 557 CB LYS A 40 5.701 -10.355 -17.811 1.00 0.00 C ATOM 558 CG LYS A 40 7.137 -10.229 -18.381 1.00 0.00 C ATOM 559 CD LYS A 40 7.881 -11.512 -18.824 1.00 0.00 C ATOM 560 CE LYS A 40 8.380 -12.449 -17.703 1.00 0.00 C ATOM 561 NZ LYS A 40 7.469 -13.573 -17.418 1.00 0.00 N ATOM 0 H LYS A 40 3.553 -9.869 -16.687 1.00 0.00 H new ATOM 0 HA LYS A 40 5.796 -11.384 -15.940 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.260 -11.273 -18.199 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.107 -9.527 -18.198 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.093 -9.560 -19.241 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.750 -9.737 -17.625 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.217 -12.083 -19.473 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.740 -11.216 -19.427 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.356 -12.846 -17.982 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.521 -11.868 -16.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.868 -14.159 -16.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.543 -13.203 -17.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.353 -14.151 -18.275 1.00 0.00 H new ATOM 575 N GLU A 41 6.515 -8.126 -15.885 1.00 0.00 N ATOM 576 CA GLU A 41 7.470 -7.109 -15.372 1.00 0.00 C ATOM 577 C GLU A 41 7.267 -6.948 -13.841 1.00 0.00 C ATOM 578 O GLU A 41 8.231 -6.745 -13.093 1.00 0.00 O ATOM 579 CB GLU A 41 7.326 -5.764 -16.141 1.00 0.00 C ATOM 580 CG GLU A 41 6.769 -5.817 -17.586 1.00 0.00 C ATOM 581 CD GLU A 41 5.393 -5.164 -17.754 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.056 -4.251 -16.969 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.645 -5.560 -18.676 1.00 0.00 O ATOM 0 H GLU A 41 5.820 -7.747 -16.528 1.00 0.00 H new ATOM 0 HA GLU A 41 8.493 -7.444 -15.545 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.679 -5.111 -15.556 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.308 -5.291 -16.177 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.476 -5.325 -18.254 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.705 -6.859 -17.901 1.00 0.00 H new ATOM 590 N LEU A 42 5.998 -7.012 -13.398 1.00 0.00 N ATOM 591 CA LEU A 42 5.622 -6.811 -11.973 1.00 0.00 C ATOM 592 C LEU A 42 6.525 -7.725 -11.102 1.00 0.00 C ATOM 593 O LEU A 42 6.893 -7.365 -9.977 1.00 0.00 O ATOM 594 CB LEU A 42 4.108 -7.111 -11.751 1.00 0.00 C ATOM 595 CG LEU A 42 3.663 -7.560 -10.329 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.278 -6.348 -9.456 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.498 -8.570 -10.365 1.00 0.00 C ATOM 0 H LEU A 42 5.203 -7.203 -14.008 1.00 0.00 H new ATOM 0 HA LEU A 42 5.777 -5.771 -11.684 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.546 -6.214 -12.011 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.813 -7.888 -12.456 1.00 0.00 H new ATOM 0 HG LEU A 42 4.523 -8.062 -9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.972 -6.693 -8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.136 -5.683 -9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.454 -5.810 -9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.227 -8.850 -9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.638 -8.116 -10.857 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.804 -9.459 -10.916 1.00 0.00 H new ATOM 609 N GLY A 43 6.852 -8.923 -11.626 1.00 0.00 N ATOM 610 CA GLY A 43 7.613 -9.953 -10.876 1.00 0.00 C ATOM 611 C GLY A 43 9.134 -9.655 -10.930 1.00 0.00 C ATOM 612 O GLY A 43 9.863 -9.917 -9.964 1.00 0.00 O ATOM 0 H GLY A 43 6.600 -9.206 -12.573 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.278 -9.977 -9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.415 -10.938 -11.298 1.00 0.00 H new ATOM 616 N THR A 44 9.595 -9.111 -12.072 1.00 0.00 N ATOM 617 CA THR A 44 11.038 -8.868 -12.332 1.00 0.00 C ATOM 618 C THR A 44 11.606 -7.960 -11.206 1.00 0.00 C ATOM 619 O THR A 44 12.683 -8.231 -10.661 1.00 0.00 O ATOM 620 CB THR A 44 11.286 -8.284 -13.758 1.00 0.00 C ATOM 621 OG1 THR A 44 10.975 -9.251 -14.759 1.00 0.00 O ATOM 622 CG2 THR A 44 12.715 -7.773 -14.019 1.00 0.00 C ATOM 0 H THR A 44 8.987 -8.827 -12.840 1.00 0.00 H new ATOM 0 HA THR A 44 11.572 -9.818 -12.315 1.00 0.00 H new ATOM 0 HB THR A 44 10.625 -7.419 -13.809 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.135 -8.867 -15.646 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.784 -7.388 -15.036 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.951 -6.977 -13.313 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.423 -8.592 -13.893 1.00 0.00 H new ATOM 630 N VAL A 45 10.878 -6.872 -10.894 1.00 0.00 N ATOM 631 CA VAL A 45 11.324 -5.837 -9.922 1.00 0.00 C ATOM 632 C VAL A 45 11.430 -6.516 -8.530 1.00 0.00 C ATOM 633 O VAL A 45 12.277 -6.140 -7.709 1.00 0.00 O ATOM 634 CB VAL A 45 10.391 -4.573 -9.941 1.00 0.00 C ATOM 635 CG1 VAL A 45 10.070 -3.999 -8.539 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.954 -3.426 -10.814 1.00 0.00 C ATOM 0 H VAL A 45 9.964 -6.679 -11.304 1.00 0.00 H new ATOM 0 HA VAL A 45 12.304 -5.447 -10.197 1.00 0.00 H new ATOM 0 HB VAL A 45 9.466 -4.952 -10.376 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.421 -3.129 -8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.566 -4.759 -7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.996 -3.705 -8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.268 -2.580 -10.789 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.925 -3.117 -10.427 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.066 -3.772 -11.841 1.00 0.00 H new ATOM 646 N MET A 46 10.543 -7.494 -8.265 1.00 0.00 N ATOM 647 CA MET A 46 10.504 -8.231 -6.973 1.00 0.00 C ATOM 648 C MET A 46 11.813 -9.059 -6.846 1.00 0.00 C ATOM 649 O MET A 46 12.322 -9.265 -5.738 1.00 0.00 O ATOM 650 CB MET A 46 9.233 -9.121 -6.866 1.00 0.00 C ATOM 651 CG MET A 46 7.896 -8.368 -6.734 1.00 0.00 C ATOM 652 SD MET A 46 7.389 -8.303 -5.001 1.00 0.00 S ATOM 653 CE MET A 46 5.593 -8.375 -5.156 1.00 0.00 C ATOM 0 H MET A 46 9.834 -7.799 -8.932 1.00 0.00 H new ATOM 0 HA MET A 46 10.445 -7.526 -6.143 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.184 -9.758 -7.749 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.345 -9.779 -6.004 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.998 -7.357 -7.129 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.129 -8.866 -7.327 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.141 -8.344 -4.165 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.244 -7.524 -5.741 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.308 -9.301 -5.656 1.00 0.00 H new ATOM 663 N ARG A 47 12.326 -9.553 -7.988 1.00 0.00 N ATOM 664 CA ARG A 47 13.507 -10.456 -8.032 1.00 0.00 C ATOM 665 C ARG A 47 14.765 -9.703 -7.515 1.00 0.00 C ATOM 666 O ARG A 47 15.701 -10.333 -7.006 1.00 0.00 O ATOM 667 CB ARG A 47 13.729 -10.989 -9.476 1.00 0.00 C ATOM 668 CG ARG A 47 14.423 -12.368 -9.559 1.00 0.00 C ATOM 669 CD ARG A 47 15.025 -12.663 -10.946 1.00 0.00 C ATOM 670 NE ARG A 47 15.281 -14.113 -11.149 1.00 0.00 N ATOM 671 CZ ARG A 47 16.393 -14.630 -11.713 1.00 0.00 C ATOM 672 NH1 ARG A 47 17.408 -13.898 -12.171 1.00 0.00 N ATOM 673 NH2 ARG A 47 16.481 -15.943 -11.817 1.00 0.00 N ATOM 0 H ARG A 47 11.939 -9.342 -8.908 1.00 0.00 H new ATOM 0 HA ARG A 47 13.326 -11.313 -7.384 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.763 -11.053 -9.977 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.326 -10.264 -10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.213 -12.415 -8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.701 -13.146 -9.311 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.346 -12.304 -11.719 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.958 -12.111 -11.060 1.00 0.00 H new ATOM 0 HE ARG A 47 14.562 -14.767 -10.839 1.00 0.00 H new ATOM 0 HH11 ARG A 47 17.373 -12.881 -12.106 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.220 -14.355 -12.586 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.722 -16.534 -11.476 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.308 -16.367 -12.238 1.00 0.00 H new ATOM 687 N MET A 48 14.788 -8.367 -7.683 1.00 0.00 N ATOM 688 CA MET A 48 15.964 -7.517 -7.350 1.00 0.00 C ATOM 689 C MET A 48 16.482 -7.918 -5.940 1.00 0.00 C ATOM 690 O MET A 48 17.593 -8.448 -5.806 1.00 0.00 O ATOM 691 CB MET A 48 15.621 -6.000 -7.429 1.00 0.00 C ATOM 692 CG MET A 48 16.120 -5.264 -8.686 1.00 0.00 C ATOM 693 SD MET A 48 16.756 -3.633 -8.237 1.00 0.00 S ATOM 694 CE MET A 48 16.616 -2.755 -9.807 1.00 0.00 C ATOM 0 H MET A 48 13.997 -7.840 -8.052 1.00 0.00 H new ATOM 0 HA MET A 48 16.751 -7.686 -8.085 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.538 -5.888 -7.372 1.00 0.00 H new ATOM 0 HB3 MET A 48 16.039 -5.506 -6.552 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.902 -5.847 -9.172 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.306 -5.161 -9.404 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.972 -1.732 -9.685 1.00 0.00 H new ATOM 0 HE2 MET A 48 17.218 -3.261 -10.562 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.573 -2.740 -10.124 1.00 0.00 H new ATOM 704 N LEU A 49 15.680 -7.630 -4.898 1.00 0.00 N ATOM 705 CA LEU A 49 16.078 -7.841 -3.480 1.00 0.00 C ATOM 706 C LEU A 49 16.622 -9.287 -3.337 1.00 0.00 C ATOM 707 O LEU A 49 17.643 -9.520 -2.678 1.00 0.00 O ATOM 708 CB LEU A 49 14.878 -7.577 -2.521 1.00 0.00 C ATOM 709 CG LEU A 49 13.445 -7.819 -3.079 1.00 0.00 C ATOM 710 CD1 LEU A 49 12.673 -8.891 -2.283 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.632 -6.510 -3.119 1.00 0.00 C ATOM 0 H LEU A 49 14.741 -7.246 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 49 16.860 -7.135 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.007 -8.206 -1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.938 -6.542 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 49 13.574 -8.190 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.680 -9.020 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.214 -9.837 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.579 -8.575 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.636 -6.712 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.548 -6.103 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.137 -5.788 -3.761 1.00 0.00 H new ATOM 723 N GLY A 50 15.945 -10.253 -3.989 1.00 0.00 N ATOM 724 CA GLY A 50 16.405 -11.664 -4.037 1.00 0.00 C ATOM 725 C GLY A 50 15.240 -12.627 -3.691 1.00 0.00 C ATOM 726 O GLY A 50 14.904 -12.815 -2.515 1.00 0.00 O ATOM 0 H GLY A 50 15.074 -10.085 -4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.791 -11.893 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.226 -11.809 -3.334 1.00 0.00 H new ATOM 730 N GLN A 51 14.649 -13.246 -4.732 1.00 0.00 N ATOM 731 CA GLN A 51 13.533 -14.218 -4.584 1.00 0.00 C ATOM 732 C GLN A 51 13.499 -15.116 -5.851 1.00 0.00 C ATOM 733 O GLN A 51 14.336 -14.969 -6.751 1.00 0.00 O ATOM 734 CB GLN A 51 12.192 -13.465 -4.349 1.00 0.00 C ATOM 735 CG GLN A 51 11.047 -14.284 -3.705 1.00 0.00 C ATOM 736 CD GLN A 51 10.132 -13.476 -2.769 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.517 -12.432 -2.242 1.00 0.00 O ATOM 738 NE2 GLN A 51 8.907 -13.931 -2.545 1.00 0.00 N ATOM 0 H GLN A 51 14.927 -13.091 -5.701 1.00 0.00 H new ATOM 0 HA GLN A 51 13.685 -14.856 -3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.392 -12.601 -3.716 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.842 -13.083 -5.308 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.440 -14.721 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.481 -15.111 -3.143 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.596 -14.797 -2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.276 -13.415 -1.932 1.00 0.00 H new ATOM 747 N ASN A 52 12.505 -16.022 -5.919 1.00 0.00 N ATOM 748 CA ASN A 52 12.265 -16.875 -7.112 1.00 0.00 C ATOM 749 C ASN A 52 10.726 -16.930 -7.438 1.00 0.00 C ATOM 750 O ASN A 52 10.047 -17.827 -6.927 1.00 0.00 O ATOM 751 CB ASN A 52 12.875 -18.281 -6.861 1.00 0.00 C ATOM 752 CG ASN A 52 13.329 -19.027 -8.134 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.319 -18.476 -9.235 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.736 -20.282 -8.013 1.00 0.00 N ATOM 0 H ASN A 52 11.847 -16.187 -5.157 1.00 0.00 H new ATOM 0 HA ASN A 52 12.755 -16.451 -7.988 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.730 -18.176 -6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.138 -18.894 -6.341 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.044 -20.800 -8.836 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.741 -20.730 -7.097 1.00 0.00 H new ATOM 761 N PRO A 53 10.129 -15.987 -8.232 1.00 0.00 N ATOM 762 CA PRO A 53 8.668 -15.926 -8.486 1.00 0.00 C ATOM 763 C PRO A 53 8.217 -16.935 -9.576 1.00 0.00 C ATOM 764 O PRO A 53 9.019 -17.733 -10.073 1.00 0.00 O ATOM 765 CB PRO A 53 8.477 -14.445 -8.881 1.00 0.00 C ATOM 766 CG PRO A 53 9.789 -14.031 -9.555 1.00 0.00 C ATOM 767 CD PRO A 53 10.863 -14.842 -8.835 1.00 0.00 C ATOM 0 HA PRO A 53 8.051 -16.216 -7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.632 -14.325 -9.559 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.273 -13.828 -8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.774 -14.252 -10.622 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.966 -12.960 -9.454 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.632 -15.185 -9.528 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.364 -14.247 -8.072 1.00 0.00 H new ATOM 775 N THR A 54 6.917 -16.891 -9.927 1.00 0.00 N ATOM 776 CA THR A 54 6.319 -17.779 -10.960 1.00 0.00 C ATOM 777 C THR A 54 5.151 -17.019 -11.647 1.00 0.00 C ATOM 778 O THR A 54 4.514 -16.155 -11.032 1.00 0.00 O ATOM 779 CB THR A 54 5.885 -19.158 -10.371 1.00 0.00 C ATOM 780 OG1 THR A 54 6.387 -20.227 -11.171 1.00 0.00 O ATOM 781 CG2 THR A 54 4.366 -19.357 -10.211 1.00 0.00 C ATOM 0 H THR A 54 6.249 -16.244 -9.508 1.00 0.00 H new ATOM 0 HA THR A 54 7.069 -18.021 -11.712 1.00 0.00 H new ATOM 0 HB THR A 54 6.313 -19.164 -9.369 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.107 -21.083 -10.786 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.170 -20.345 -9.795 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.968 -18.596 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.883 -19.271 -11.185 1.00 0.00 H new ATOM 789 N LYS A 55 4.905 -17.333 -12.932 1.00 0.00 N ATOM 790 CA LYS A 55 3.903 -16.619 -13.768 1.00 0.00 C ATOM 791 C LYS A 55 2.489 -16.925 -13.206 1.00 0.00 C ATOM 792 O LYS A 55 1.612 -16.052 -13.195 1.00 0.00 O ATOM 793 CB LYS A 55 4.056 -17.032 -15.264 1.00 0.00 C ATOM 794 CG LYS A 55 3.134 -18.163 -15.782 1.00 0.00 C ATOM 795 CD LYS A 55 3.677 -19.597 -15.586 1.00 0.00 C ATOM 796 CE LYS A 55 5.213 -19.718 -15.628 1.00 0.00 C ATOM 797 NZ LYS A 55 5.788 -20.287 -14.393 1.00 0.00 N ATOM 0 H LYS A 55 5.389 -18.084 -13.425 1.00 0.00 H new ATOM 0 HA LYS A 55 4.062 -15.541 -13.728 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.884 -16.148 -15.878 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.090 -17.337 -15.427 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.171 -18.084 -15.278 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.951 -18.003 -16.845 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.323 -19.977 -14.628 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.255 -20.239 -16.359 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.498 -20.342 -16.475 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.644 -18.732 -15.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.729 -19.876 -14.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.167 -20.068 -13.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.873 -21.319 -14.493 1.00 0.00 H new ATOM 811 N GLU A 56 2.280 -18.174 -12.750 1.00 0.00 N ATOM 812 CA GLU A 56 0.952 -18.661 -12.288 1.00 0.00 C ATOM 813 C GLU A 56 0.572 -17.909 -10.983 1.00 0.00 C ATOM 814 O GLU A 56 -0.604 -17.605 -10.750 1.00 0.00 O ATOM 815 CB GLU A 56 0.972 -20.209 -12.131 1.00 0.00 C ATOM 816 CG GLU A 56 -0.208 -20.982 -12.767 1.00 0.00 C ATOM 817 CD GLU A 56 -0.337 -22.433 -12.293 1.00 0.00 C ATOM 818 OE1 GLU A 56 0.015 -22.721 -11.127 1.00 0.00 O ATOM 819 OE2 GLU A 56 -0.794 -23.289 -13.081 1.00 0.00 O ATOM 0 H GLU A 56 3.018 -18.876 -12.689 1.00 0.00 H new ATOM 0 HA GLU A 56 0.179 -18.446 -13.026 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.899 -20.584 -12.565 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.000 -20.444 -11.067 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.135 -20.455 -12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.090 -20.975 -13.851 1.00 0.00 H new ATOM 826 N GLU A 57 1.581 -17.624 -10.140 1.00 0.00 N ATOM 827 CA GLU A 57 1.375 -17.013 -8.799 1.00 0.00 C ATOM 828 C GLU A 57 1.139 -15.487 -8.962 1.00 0.00 C ATOM 829 O GLU A 57 0.381 -14.880 -8.196 1.00 0.00 O ATOM 830 CB GLU A 57 2.561 -17.338 -7.846 1.00 0.00 C ATOM 831 CG GLU A 57 3.748 -16.342 -7.806 1.00 0.00 C ATOM 832 CD GLU A 57 4.281 -16.056 -6.399 1.00 0.00 C ATOM 833 OE1 GLU A 57 4.702 -17.010 -5.706 1.00 0.00 O ATOM 834 OE2 GLU A 57 4.280 -14.878 -5.979 1.00 0.00 O ATOM 0 H GLU A 57 2.560 -17.807 -10.360 1.00 0.00 H new ATOM 0 HA GLU A 57 0.488 -17.443 -8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.164 -17.427 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.954 -18.317 -8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.560 -16.737 -8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.435 -15.403 -8.262 1.00 0.00 H new ATOM 841 N LEU A 58 1.821 -14.877 -9.950 1.00 0.00 N ATOM 842 CA LEU A 58 1.792 -13.406 -10.167 1.00 0.00 C ATOM 843 C LEU A 58 0.355 -12.985 -10.580 1.00 0.00 C ATOM 844 O LEU A 58 -0.117 -11.905 -10.206 1.00 0.00 O ATOM 845 CB LEU A 58 2.883 -13.036 -11.214 1.00 0.00 C ATOM 846 CG LEU A 58 4.214 -12.454 -10.657 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.404 -12.889 -11.535 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.194 -10.916 -10.529 1.00 0.00 C ATOM 0 H LEU A 58 2.405 -15.379 -10.619 1.00 0.00 H new ATOM 0 HA LEU A 58 2.027 -12.854 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.118 -13.930 -11.792 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.458 -12.310 -11.907 1.00 0.00 H new ATOM 0 HG LEU A 58 4.329 -12.859 -9.652 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.326 -12.473 -11.130 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.471 -13.977 -11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.258 -12.526 -12.552 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.150 -10.571 -10.135 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.024 -10.471 -11.510 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.394 -10.618 -9.852 1.00 0.00 H new ATOM 860 N ASP A 59 -0.331 -13.869 -11.328 1.00 0.00 N ATOM 861 CA ASP A 59 -1.713 -13.623 -11.819 1.00 0.00 C ATOM 862 C ASP A 59 -2.646 -13.415 -10.595 1.00 0.00 C ATOM 863 O ASP A 59 -3.620 -12.655 -10.666 1.00 0.00 O ATOM 864 CB ASP A 59 -2.200 -14.763 -12.758 1.00 0.00 C ATOM 865 CG ASP A 59 -3.618 -14.606 -13.335 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.900 -13.569 -13.975 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.453 -15.516 -13.141 1.00 0.00 O ATOM 0 H ASP A 59 0.049 -14.772 -11.612 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.731 -12.719 -12.427 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.499 -14.846 -13.589 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.156 -15.703 -12.208 1.00 0.00 H new ATOM 872 N ALA A 60 -2.345 -14.115 -9.486 1.00 0.00 N ATOM 873 CA ALA A 60 -3.168 -14.067 -8.248 1.00 0.00 C ATOM 874 C ALA A 60 -3.012 -12.682 -7.561 1.00 0.00 C ATOM 875 O ALA A 60 -3.958 -12.171 -6.950 1.00 0.00 O ATOM 876 CB ALA A 60 -2.749 -15.222 -7.318 1.00 0.00 C ATOM 0 H ALA A 60 -1.532 -14.727 -9.415 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.223 -14.192 -8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.349 -15.192 -6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.907 -16.174 -7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.695 -15.118 -7.061 1.00 0.00 H new ATOM 882 N ILE A 61 -1.816 -12.082 -7.700 1.00 0.00 N ATOM 883 CA ILE A 61 -1.475 -10.780 -7.065 1.00 0.00 C ATOM 884 C ILE A 61 -2.386 -9.717 -7.739 1.00 0.00 C ATOM 885 O ILE A 61 -2.907 -8.818 -7.067 1.00 0.00 O ATOM 886 CB ILE A 61 0.068 -10.474 -7.142 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.879 -11.168 -6.001 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.374 -8.952 -7.160 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.098 -10.391 -5.477 1.00 0.00 C ATOM 0 H ILE A 61 -1.056 -12.478 -8.252 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.669 -10.784 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 61 0.394 -10.897 -8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.205 -11.356 -5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.219 -12.139 -6.361 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.452 -8.798 -7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.101 -8.496 -8.028 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.013 -8.492 -6.251 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.584 -10.966 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.802 -10.225 -6.293 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.773 -9.430 -5.078 1.00 0.00 H new ATOM 901 N ILE A 62 -2.567 -9.836 -9.068 1.00 0.00 N ATOM 902 CA ILE A 62 -3.338 -8.861 -9.887 1.00 0.00 C ATOM 903 C ILE A 62 -4.839 -9.086 -9.553 1.00 0.00 C ATOM 904 O ILE A 62 -5.642 -8.146 -9.636 1.00 0.00 O ATOM 905 CB ILE A 62 -2.978 -8.966 -11.416 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.461 -8.718 -11.697 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.842 -8.024 -12.298 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.118 -8.167 -13.090 1.00 0.00 C ATOM 0 H ILE A 62 -2.185 -10.610 -9.612 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.077 -7.831 -9.642 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.208 -9.995 -11.692 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.082 -8.022 -10.949 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.927 -9.658 -11.558 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.552 -8.137 -13.343 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.895 -8.282 -12.183 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.686 -6.991 -11.988 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.039 -8.034 -13.173 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.457 -8.868 -13.852 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.614 -7.207 -13.234 1.00 0.00 H new ATOM 920 N GLU A 63 -5.212 -10.333 -9.210 1.00 0.00 N ATOM 921 CA GLU A 63 -6.612 -10.698 -8.861 1.00 0.00 C ATOM 922 C GLU A 63 -7.159 -9.647 -7.857 1.00 0.00 C ATOM 923 O GLU A 63 -8.255 -9.105 -8.046 1.00 0.00 O ATOM 924 CB GLU A 63 -6.680 -12.158 -8.326 1.00 0.00 C ATOM 925 CG GLU A 63 -8.082 -12.810 -8.272 1.00 0.00 C ATOM 926 CD GLU A 63 -8.061 -14.325 -8.047 1.00 0.00 C ATOM 927 OE1 GLU A 63 -7.023 -14.855 -7.592 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.081 -14.993 -8.328 1.00 0.00 O ATOM 0 H GLU A 63 -4.561 -11.117 -9.165 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.249 -10.679 -9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.039 -12.780 -8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.258 -12.173 -7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.657 -12.343 -7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.605 -12.600 -9.205 1.00 0.00 H new ATOM 935 N GLU A 64 -6.366 -9.349 -6.811 1.00 0.00 N ATOM 936 CA GLU A 64 -6.718 -8.328 -5.789 1.00 0.00 C ATOM 937 C GLU A 64 -6.388 -6.924 -6.367 1.00 0.00 C ATOM 938 O GLU A 64 -5.604 -6.800 -7.314 1.00 0.00 O ATOM 939 CB GLU A 64 -5.995 -8.635 -4.446 1.00 0.00 C ATOM 940 CG GLU A 64 -4.621 -7.957 -4.229 1.00 0.00 C ATOM 941 CD GLU A 64 -4.279 -7.688 -2.760 1.00 0.00 C ATOM 942 OE1 GLU A 64 -4.828 -6.727 -2.177 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.463 -8.439 -2.180 1.00 0.00 O ATOM 0 H GLU A 64 -5.467 -9.802 -6.645 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.783 -8.351 -5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.654 -8.340 -3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.858 -9.714 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.845 -8.588 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.604 -7.013 -4.773 1.00 0.00 H new ATOM 950 N VAL A 65 -6.999 -5.878 -5.781 1.00 0.00 N ATOM 951 CA VAL A 65 -6.885 -4.479 -6.274 1.00 0.00 C ATOM 952 C VAL A 65 -7.172 -4.497 -7.800 1.00 0.00 C ATOM 953 O VAL A 65 -6.243 -4.529 -8.617 1.00 0.00 O ATOM 954 CB VAL A 65 -5.505 -3.832 -5.896 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.282 -4.455 -6.613 1.00 0.00 C ATOM 956 CG2 VAL A 65 -5.476 -2.303 -6.144 1.00 0.00 C ATOM 0 H VAL A 65 -7.587 -5.971 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.619 -3.837 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.418 -4.045 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.373 -3.946 -6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.213 -5.513 -6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.397 -4.345 -7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.499 -1.908 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.662 -2.102 -7.199 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.247 -1.822 -5.542 1.00 0.00 H new ATOM 966 N ASP A 66 -8.466 -4.470 -8.172 1.00 0.00 N ATOM 967 CA ASP A 66 -8.901 -4.478 -9.594 1.00 0.00 C ATOM 968 C ASP A 66 -10.407 -4.101 -9.656 1.00 0.00 C ATOM 969 O ASP A 66 -11.264 -4.952 -9.918 1.00 0.00 O ATOM 970 CB ASP A 66 -8.596 -5.841 -10.281 1.00 0.00 C ATOM 971 CG ASP A 66 -7.639 -5.794 -11.484 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.407 -4.693 -12.031 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.114 -6.858 -11.881 1.00 0.00 O ATOM 0 H ASP A 66 -9.238 -4.442 -7.506 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.333 -3.736 -10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.176 -6.515 -9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.539 -6.278 -10.610 1.00 0.00 H new ATOM 978 N GLU A 67 -10.701 -2.805 -9.439 1.00 0.00 N ATOM 979 CA GLU A 67 -12.088 -2.270 -9.428 1.00 0.00 C ATOM 980 C GLU A 67 -12.505 -1.948 -10.888 1.00 0.00 C ATOM 981 O GLU A 67 -13.679 -2.082 -11.254 1.00 0.00 O ATOM 982 CB GLU A 67 -12.189 -1.049 -8.468 1.00 0.00 C ATOM 983 CG GLU A 67 -13.515 -0.254 -8.500 1.00 0.00 C ATOM 984 CD GLU A 67 -14.591 -0.786 -7.548 1.00 0.00 C ATOM 985 OE1 GLU A 67 -14.252 -1.170 -6.406 1.00 0.00 O ATOM 986 OE2 GLU A 67 -15.780 -0.820 -7.936 1.00 0.00 O ATOM 0 H GLU A 67 -9.989 -2.095 -9.266 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.789 -3.009 -9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.027 -1.402 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.374 -0.363 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.308 0.787 -8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.908 -0.266 -9.517 1.00 0.00 H new ATOM 993 N ASP A 68 -11.533 -1.500 -11.706 1.00 0.00 N ATOM 994 CA ASP A 68 -11.777 -1.104 -13.119 1.00 0.00 C ATOM 995 C ASP A 68 -11.805 -2.384 -13.998 1.00 0.00 C ATOM 996 O ASP A 68 -12.555 -2.467 -14.979 1.00 0.00 O ATOM 997 CB ASP A 68 -10.735 -0.059 -13.617 1.00 0.00 C ATOM 998 CG ASP A 68 -9.559 -0.616 -14.439 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.810 -1.473 -13.921 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.379 -0.190 -15.601 1.00 0.00 O ATOM 0 H ASP A 68 -10.561 -1.400 -11.415 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.744 -0.606 -13.195 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.256 0.683 -14.222 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.331 0.463 -12.750 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.999 -3.395 -13.616 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.944 -4.692 -14.337 1.00 0.00 C ATOM 1007 C GLY A 69 -10.292 -4.506 -15.731 1.00 0.00 C ATOM 1008 O GLY A 69 -10.893 -3.914 -16.636 1.00 0.00 O ATOM 0 H GLY A 69 -10.374 -3.342 -12.811 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.373 -5.415 -13.755 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.950 -5.096 -14.450 1.00 0.00 H new ATOM 1012 N SER A 70 -9.058 -5.023 -15.885 1.00 0.00 N ATOM 1013 CA SER A 70 -8.256 -4.870 -17.127 1.00 0.00 C ATOM 1014 C SER A 70 -7.108 -5.915 -17.144 1.00 0.00 C ATOM 1015 O SER A 70 -6.921 -6.645 -18.124 1.00 0.00 O ATOM 1016 CB SER A 70 -7.733 -3.418 -17.226 1.00 0.00 C ATOM 1017 OG SER A 70 -7.322 -2.926 -15.954 1.00 0.00 O ATOM 0 H SER A 70 -8.585 -5.558 -15.157 1.00 0.00 H new ATOM 0 HA SER A 70 -8.876 -5.058 -18.004 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.895 -3.378 -17.921 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.514 -2.775 -17.631 1.00 0.00 H new ATOM 0 HG SER A 70 -8.084 -2.505 -15.504 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.347 -5.985 -16.033 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.222 -6.944 -15.891 1.00 0.00 C ATOM 1025 C GLY A 71 -3.881 -6.179 -15.741 1.00 0.00 C ATOM 1026 O GLY A 71 -2.966 -6.638 -15.047 1.00 0.00 O ATOM 0 H GLY A 71 -6.488 -5.389 -15.217 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.385 -7.581 -15.021 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.180 -7.598 -16.762 1.00 0.00 H new ATOM 1030 N THR A 72 -3.787 -5.010 -16.404 1.00 0.00 N ATOM 1031 CA THR A 72 -2.564 -4.164 -16.405 1.00 0.00 C ATOM 1032 C THR A 72 -2.700 -3.087 -15.295 1.00 0.00 C ATOM 1033 O THR A 72 -3.815 -2.734 -14.887 1.00 0.00 O ATOM 1034 CB THR A 72 -2.277 -3.548 -17.811 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.438 -2.898 -18.322 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.784 -4.546 -18.876 1.00 0.00 C ATOM 0 H THR A 72 -4.552 -4.621 -16.955 1.00 0.00 H new ATOM 0 HA THR A 72 -1.696 -4.785 -16.184 1.00 0.00 H new ATOM 0 HB THR A 72 -1.464 -2.845 -17.632 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.335 -1.927 -18.233 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.614 -4.021 -19.816 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.853 -5.004 -18.542 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.536 -5.321 -19.025 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.555 -2.589 -14.789 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.499 -1.553 -13.723 1.00 0.00 C ATOM 1046 C ILE A 73 -1.110 -0.225 -14.428 1.00 0.00 C ATOM 1047 O ILE A 73 0.065 0.167 -14.428 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.547 -1.979 -12.541 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.079 -3.220 -11.756 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.256 -0.813 -11.559 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.554 -3.380 -10.319 1.00 0.00 C ATOM 0 H ILE A 73 -0.634 -2.892 -15.106 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.461 -1.422 -13.227 1.00 0.00 H new ATOM 0 HB ILE A 73 0.391 -2.260 -13.019 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.167 -3.165 -11.721 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.823 -4.118 -12.318 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.404 -1.162 -10.765 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.224 0.004 -12.097 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.192 -0.461 -11.124 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.989 -4.273 -9.870 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.532 -3.474 -10.337 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.833 -2.506 -9.730 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.110 0.473 -14.998 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.899 1.763 -15.708 1.00 0.00 C ATOM 1065 C ASP A 74 -1.531 2.861 -14.671 1.00 0.00 C ATOM 1066 O ASP A 74 -1.638 2.653 -13.454 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.136 2.149 -16.571 1.00 0.00 C ATOM 1068 CG ASP A 74 -3.895 0.983 -17.226 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.393 0.417 -18.223 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -4.997 0.634 -16.748 1.00 0.00 O ATOM 0 H ASP A 74 -3.083 0.167 -14.984 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.070 1.660 -16.408 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.834 2.702 -15.942 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.807 2.829 -17.357 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.125 4.043 -15.170 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.776 5.209 -14.313 1.00 0.00 C ATOM 1077 C PHE A 75 -2.026 5.634 -13.495 1.00 0.00 C ATOM 1078 O PHE A 75 -1.897 6.186 -12.393 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.223 6.377 -15.181 1.00 0.00 C ATOM 1080 CG PHE A 75 0.669 7.388 -14.432 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.101 8.334 -13.570 1.00 0.00 C ATOM 1082 CD2 PHE A 75 2.059 7.360 -14.597 1.00 0.00 C ATOM 1083 CE1 PHE A 75 0.913 9.218 -12.864 1.00 0.00 C ATOM 1084 CE2 PHE A 75 2.869 8.245 -13.888 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.296 9.167 -13.016 1.00 0.00 C ATOM 0 H PHE A 75 -1.028 4.224 -16.169 1.00 0.00 H new ATOM 0 HA PHE A 75 0.013 4.932 -13.614 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.349 5.955 -16.007 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.065 6.914 -15.618 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.972 8.378 -13.452 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.505 6.649 -15.277 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.470 9.944 -12.198 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.941 8.216 -14.015 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.925 9.844 -12.457 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.227 5.388 -14.049 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.515 5.767 -13.409 1.00 0.00 C ATOM 1097 C GLU A 76 -5.028 4.572 -12.559 1.00 0.00 C ATOM 1098 O GLU A 76 -6.217 4.235 -12.599 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.553 6.239 -14.468 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.427 5.669 -15.903 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.186 6.470 -16.966 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -7.416 6.282 -17.101 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -5.556 7.287 -17.673 1.00 0.00 O ATOM 0 H GLU A 76 -3.340 4.923 -14.950 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.360 6.617 -12.744 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.548 5.993 -14.096 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.496 7.326 -14.532 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.372 5.632 -16.176 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.793 4.642 -15.908 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.112 3.956 -11.787 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.428 2.800 -10.907 1.00 0.00 C ATOM 1112 C GLU A 77 -3.330 2.667 -9.815 1.00 0.00 C ATOM 1113 O GLU A 77 -3.632 2.378 -8.651 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.590 1.483 -11.720 1.00 0.00 C ATOM 1115 CG GLU A 77 -5.036 0.234 -10.923 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.623 -0.867 -11.809 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.177 -0.550 -12.884 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.539 -2.057 -11.431 1.00 0.00 O ATOM 0 H GLU A 77 -3.133 4.240 -11.751 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.387 2.982 -10.422 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.316 1.659 -12.514 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.638 1.259 -12.202 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.181 -0.165 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.778 0.530 -10.182 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.060 2.874 -10.211 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.895 2.780 -9.292 1.00 0.00 C ATOM 1127 C PHE A 78 -1.104 3.775 -8.118 1.00 0.00 C ATOM 1128 O PHE A 78 -0.802 3.460 -6.961 1.00 0.00 O ATOM 1129 CB PHE A 78 0.434 3.042 -10.066 1.00 0.00 C ATOM 1130 CG PHE A 78 1.726 2.755 -9.273 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.046 1.449 -8.884 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.616 3.795 -8.979 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.230 1.191 -8.196 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.799 3.534 -8.292 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.104 2.234 -7.898 1.00 0.00 C ATOM 0 H PHE A 78 -1.807 3.110 -11.170 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.819 1.774 -8.879 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.437 2.429 -10.968 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.449 4.083 -10.388 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.372 0.638 -9.118 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.384 4.804 -9.286 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.470 0.182 -7.894 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.480 4.341 -8.065 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.019 2.034 -7.361 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.596 4.985 -8.442 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.757 6.088 -7.457 1.00 0.00 C ATOM 1147 C LEU A 79 -2.877 5.687 -6.457 1.00 0.00 C ATOM 1148 O LEU A 79 -2.757 5.928 -5.249 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.080 7.433 -8.176 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.184 7.834 -9.384 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.708 9.113 -10.067 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.295 8.020 -8.986 1.00 0.00 C ATOM 0 H LEU A 79 -1.893 5.232 -9.386 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.826 6.243 -6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.113 7.390 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.025 8.232 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.236 7.006 -10.091 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.062 9.368 -10.907 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.722 8.943 -10.428 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.711 9.934 -9.349 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.876 8.299 -9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.374 8.806 -8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.682 7.087 -8.577 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.971 5.103 -6.981 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.134 4.664 -6.163 1.00 0.00 C ATOM 1166 C VAL A 80 -4.624 3.621 -5.131 1.00 0.00 C ATOM 1167 O VAL A 80 -5.181 3.505 -4.031 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.314 4.143 -7.058 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.592 3.832 -6.243 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.703 5.096 -8.216 1.00 0.00 C ATOM 0 H VAL A 80 -4.081 4.920 -7.978 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.561 5.508 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.914 3.225 -7.488 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.374 3.476 -6.914 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.373 3.064 -5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.931 4.737 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.525 4.661 -8.784 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.013 6.058 -7.807 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.845 5.241 -8.872 1.00 0.00 H new ATOM 1180 N MET A 81 -3.588 2.850 -5.509 1.00 0.00 N ATOM 1181 CA MET A 81 -2.987 1.801 -4.641 1.00 0.00 C ATOM 1182 C MET A 81 -2.408 2.495 -3.378 1.00 0.00 C ATOM 1183 O MET A 81 -2.896 2.286 -2.262 1.00 0.00 O ATOM 1184 CB MET A 81 -1.911 0.978 -5.404 1.00 0.00 C ATOM 1185 CG MET A 81 -1.865 -0.529 -5.085 1.00 0.00 C ATOM 1186 SD MET A 81 -1.405 -1.461 -6.563 1.00 0.00 S ATOM 1187 CE MET A 81 0.396 -1.383 -6.483 1.00 0.00 C ATOM 0 H MET A 81 -3.139 2.930 -6.421 1.00 0.00 H new ATOM 0 HA MET A 81 -3.750 1.083 -4.340 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.081 1.098 -6.474 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.932 1.406 -5.186 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.146 -0.718 -4.288 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.838 -0.862 -4.723 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.821 -1.917 -7.333 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.717 -0.342 -6.511 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.739 -1.844 -5.557 1.00 0.00 H new ATOM 1197 N MET A 82 -1.341 3.294 -3.573 1.00 0.00 N ATOM 1198 CA MET A 82 -0.601 3.942 -2.458 1.00 0.00 C ATOM 1199 C MET A 82 -1.585 4.752 -1.568 1.00 0.00 C ATOM 1200 O MET A 82 -1.316 4.967 -0.378 1.00 0.00 O ATOM 1201 CB MET A 82 0.542 4.830 -3.026 1.00 0.00 C ATOM 1202 CG MET A 82 1.876 4.106 -3.290 1.00 0.00 C ATOM 1203 SD MET A 82 2.795 3.860 -1.753 1.00 0.00 S ATOM 1204 CE MET A 82 4.268 4.860 -2.038 1.00 0.00 C ATOM 0 H MET A 82 -0.966 3.511 -4.496 1.00 0.00 H new ATOM 0 HA MET A 82 -0.142 3.180 -1.828 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.201 5.278 -3.959 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.724 5.647 -2.328 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.684 3.142 -3.761 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.478 4.688 -3.988 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.923 4.799 -1.169 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.796 4.488 -2.916 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.977 5.898 -2.201 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.698 5.221 -2.160 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.685 6.098 -1.473 1.00 0.00 C ATOM 1216 C VAL A 83 -4.453 5.224 -0.444 1.00 0.00 C ATOM 1217 O VAL A 83 -4.669 5.642 0.700 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.618 6.842 -2.493 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.117 6.842 -2.100 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.188 8.308 -2.742 1.00 0.00 C ATOM 0 H VAL A 83 -2.946 5.008 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.179 6.903 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.501 6.260 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.692 7.376 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.475 5.815 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.240 7.335 -1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.870 8.771 -3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.216 8.860 -1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.175 8.327 -3.144 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.886 4.026 -0.879 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.732 3.114 -0.064 1.00 0.00 C ATOM 1232 C ARG A 84 -5.010 2.865 1.288 1.00 0.00 C ATOM 1233 O ARG A 84 -5.637 2.893 2.354 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.990 1.782 -0.823 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.189 1.807 -1.801 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.063 0.763 -2.926 1.00 0.00 C ATOM 1237 NE ARG A 84 -6.852 -0.605 -2.389 1.00 0.00 N ATOM 1238 CZ ARG A 84 -7.837 -1.420 -1.960 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.042 -1.387 -2.513 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -7.626 -2.294 -0.986 1.00 0.00 N ATOM 0 H ARG A 84 -4.663 3.657 -1.803 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.706 3.567 0.122 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.091 1.519 -1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.154 0.991 -0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.109 1.626 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.272 2.801 -2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.965 0.778 -3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.231 1.030 -3.578 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.894 -0.953 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.236 -0.738 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.775 -2.011 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.707 -2.358 -0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.383 -2.903 -0.674 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.693 2.592 1.222 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.871 2.254 2.414 1.00 0.00 C ATOM 1256 C GLN A 85 -2.583 3.558 3.208 1.00 0.00 C ATOM 1257 O GLN A 85 -2.435 3.527 4.436 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.569 1.523 1.977 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.731 0.046 1.540 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.590 -0.882 1.992 1.00 0.00 C ATOM 1261 OE1 GLN A 85 0.089 -1.505 1.176 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -0.357 -1.001 3.291 1.00 0.00 N ATOM 0 H GLN A 85 -3.165 2.598 0.349 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.409 1.569 3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.124 2.078 1.151 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.860 1.560 2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.672 -0.336 1.937 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.804 0.008 0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.924 -0.481 3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.390 -1.612 3.621 1.00 0.00 H new ATOM 1271 N MET A 86 -2.475 4.688 2.486 1.00 0.00 N ATOM 1272 CA MET A 86 -2.175 6.018 3.080 1.00 0.00 C ATOM 1273 C MET A 86 -3.119 6.225 4.295 1.00 0.00 C ATOM 1274 O MET A 86 -2.718 6.798 5.316 1.00 0.00 O ATOM 1275 CB MET A 86 -2.313 7.153 2.027 1.00 0.00 C ATOM 1276 CG MET A 86 -1.037 7.968 1.744 1.00 0.00 C ATOM 1277 SD MET A 86 -1.418 9.734 1.741 1.00 0.00 S ATOM 1278 CE MET A 86 -2.945 9.765 0.780 1.00 0.00 C ATOM 0 H MET A 86 -2.592 4.712 1.473 1.00 0.00 H new ATOM 0 HA MET A 86 -1.140 6.053 3.419 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.655 6.713 1.090 1.00 0.00 H new ATOM 0 HB3 MET A 86 -3.092 7.839 2.360 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.283 7.752 2.500 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.616 7.677 0.782 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.954 10.647 0.140 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.005 8.868 0.163 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.800 9.798 1.456 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.363 5.724 4.175 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.411 5.883 5.218 1.00 0.00 C ATOM 1290 C LYS A 87 -4.991 5.058 6.464 1.00 0.00 C ATOM 1291 O LYS A 87 -4.403 3.977 6.338 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.805 5.411 4.718 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.579 6.427 3.845 1.00 0.00 C ATOM 1294 CD LYS A 87 -9.112 6.399 4.014 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.707 5.008 4.312 1.00 0.00 C ATOM 1296 NZ LYS A 87 -11.076 4.883 3.783 1.00 0.00 N ATOM 0 H LYS A 87 -4.675 5.199 3.358 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.499 6.941 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.674 4.492 4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.417 5.163 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.221 7.430 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.341 6.239 2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.386 7.076 4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.570 6.787 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.074 4.238 3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.715 4.837 5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.447 3.936 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.685 5.603 4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.064 5.022 2.752 1.00 0.00 H new