USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 651 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: X 8 HIS : no HD1:sc= -0.311 K(o=-0.72,f=-1.4) USER MOD Set 1.2: X 39 LYS NZ :NH3+ 166:sc= -0.408 (180deg=-0.205) USER MOD Single : X 6 SER OG : rot 180:sc= 0.0112 USER MOD Single : X 7 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.33) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : X 16 LYS NZ :NH3+ -134:sc= 1.26 (180deg=-0.624) USER MOD Single : X 17 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -4:sc= 0.451 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot -12:sc= 0.397 USER MOD Single : X 33 LYS NZ :NH3+ -167:sc= -0.0124 (180deg=-0.237) USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 89:sc= 0.274 USER MOD Single : X 64 GLN : amide:sc= -7.42! C(o=-7.4!,f=-10!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -3.18! C(o=-3.2!,f=-5.3!) USER MOD Single : X 69 THR OG1 : rot 119:sc= 0.914 USER MOD Single : X 74 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0527) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.11 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 130:sc= -3.78! USER MOD Single : X 84 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.3) USER MOD Single : X 87 LYS NZ :NH3+ -157:sc= 0.196 (180deg=0.0686) USER MOD ----------------------------------------------------------------- ATOM 78 N SER X 6 68.451 0.800 -10.059 1.00 1.00 N ATOM 79 CA SER X 6 68.977 1.976 -9.378 1.00 1.00 C ATOM 80 C SER X 6 70.438 2.198 -9.750 1.00 1.00 C ATOM 81 O SER X 6 71.172 1.248 -10.021 1.00 1.00 O ATOM 82 CB SER X 6 68.854 1.808 -7.864 1.00 1.00 C ATOM 83 OG SER X 6 69.530 2.880 -7.218 1.00 1.00 O ATOM 0 HA SER X 6 68.396 2.843 -9.692 1.00 1.00 H new ATOM 0 HB2 SER X 6 67.804 1.796 -7.572 1.00 1.00 H new ATOM 0 HB3 SER X 6 69.282 0.854 -7.556 1.00 1.00 H new ATOM 0 HG SER X 6 69.452 2.778 -6.246 1.00 1.00 H new ATOM 89 N GLN X 7 70.852 3.458 -9.762 1.00 1.00 N ATOM 90 CA GLN X 7 72.226 3.799 -10.104 1.00 1.00 C ATOM 91 C GLN X 7 73.195 3.255 -9.058 1.00 1.00 C ATOM 92 O GLN X 7 74.341 2.929 -9.370 1.00 1.00 O ATOM 93 CB GLN X 7 72.378 5.321 -10.205 1.00 1.00 C ATOM 94 CG GLN X 7 71.491 5.859 -11.332 1.00 1.00 C ATOM 95 CD GLN X 7 71.960 5.314 -12.677 1.00 1.00 C ATOM 96 OE1 GLN X 7 73.145 5.389 -12.999 1.00 1.00 O ATOM 97 NE2 GLN X 7 71.097 4.759 -13.483 1.00 1.00 N ATOM 0 H GLN X 7 70.259 4.258 -9.540 1.00 1.00 H new ATOM 0 HA GLN X 7 72.462 3.346 -11.067 1.00 1.00 H new ATOM 0 HB2 GLN X 7 72.102 5.787 -9.259 1.00 1.00 H new ATOM 0 HB3 GLN X 7 73.420 5.580 -10.395 1.00 1.00 H new ATOM 0 HG2 GLN X 7 70.454 5.572 -11.157 1.00 1.00 H new ATOM 0 HG3 GLN X 7 71.523 6.948 -11.342 1.00 1.00 H new ATOM 0 HE21 GLN X 7 70.115 4.698 -13.215 1.00 1.00 H new ATOM 0 HE22 GLN X 7 71.405 4.387 -14.381 1.00 1.00 H new ATOM 106 N HIS X 8 72.732 3.163 -7.816 1.00 1.00 N ATOM 107 CA HIS X 8 73.571 2.662 -6.736 1.00 1.00 C ATOM 108 C HIS X 8 73.880 1.183 -6.942 1.00 1.00 C ATOM 109 O HIS X 8 75.017 0.742 -6.760 1.00 1.00 O ATOM 110 CB HIS X 8 72.863 2.859 -5.394 1.00 1.00 C ATOM 111 CG HIS X 8 72.695 4.333 -5.122 1.00 1.00 C ATOM 112 ND1 HIS X 8 71.924 4.805 -4.071 1.00 1.00 N ATOM 113 CD2 HIS X 8 73.184 5.446 -5.758 1.00 1.00 C ATOM 114 CE1 HIS X 8 71.972 6.150 -4.106 1.00 1.00 C ATOM 115 NE2 HIS X 8 72.726 6.593 -5.115 1.00 1.00 N ATOM 0 H HIS X 8 71.788 3.427 -7.534 1.00 1.00 H new ATOM 0 HA HIS X 8 74.508 3.219 -6.737 1.00 1.00 H new ATOM 0 HB2 HIS X 8 71.890 2.369 -5.409 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.441 2.395 -4.595 1.00 1.00 H new ATOM 0 HD2 HIS X 8 73.827 5.434 -6.626 1.00 1.00 H new ATOM 0 HE1 HIS X 8 71.462 6.793 -3.403 1.00 1.00 H new ATOM 0 HE2 HIS X 8 72.924 7.563 -5.362 1.00 1.00 H new ATOM 123 N GLU X 9 72.863 0.419 -7.326 1.00 1.00 N ATOM 124 CA GLU X 9 73.040 -1.006 -7.554 1.00 1.00 C ATOM 125 C GLU X 9 73.961 -1.248 -8.745 1.00 1.00 C ATOM 126 O GLU X 9 74.889 -2.051 -8.670 1.00 1.00 O ATOM 127 CB GLU X 9 71.682 -1.658 -7.811 1.00 1.00 C ATOM 128 CG GLU X 9 70.848 -1.637 -6.529 1.00 1.00 C ATOM 129 CD GLU X 9 69.452 -2.182 -6.802 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.192 -2.544 -7.938 1.00 1.00 O ATOM 131 OE2 GLU X 9 68.662 -2.226 -5.874 1.00 1.00 O ATOM 0 H GLU X 9 71.915 0.761 -7.484 1.00 1.00 H new ATOM 0 HA GLU X 9 73.495 -1.448 -6.667 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.158 -1.127 -8.606 1.00 1.00 H new ATOM 0 HB3 GLU X 9 71.819 -2.685 -8.150 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.336 -2.235 -5.759 1.00 1.00 H new ATOM 0 HG3 GLU X 9 70.781 -0.618 -6.147 1.00 1.00 H new ATOM 138 N ARG X 10 73.703 -0.540 -9.842 1.00 1.00 N ATOM 139 CA ARG X 10 74.515 -0.684 -11.044 1.00 1.00 C ATOM 140 C ARG X 10 75.953 -0.253 -10.776 1.00 1.00 C ATOM 141 O ARG X 10 76.896 -0.824 -11.325 1.00 1.00 O ATOM 142 CB ARG X 10 73.929 0.163 -12.174 1.00 1.00 C ATOM 143 CG ARG X 10 72.559 -0.388 -12.562 1.00 1.00 C ATOM 144 CD ARG X 10 71.951 0.472 -13.673 1.00 1.00 C ATOM 145 NE ARG X 10 72.749 0.363 -14.891 1.00 1.00 N ATOM 146 CZ ARG X 10 72.449 1.072 -15.975 1.00 1.00 C ATOM 147 NH1 ARG X 10 71.430 1.886 -15.963 1.00 1.00 N ATOM 148 NH2 ARG X 10 73.177 0.954 -17.052 1.00 1.00 N ATOM 0 H ARG X 10 72.942 0.135 -9.922 1.00 1.00 H new ATOM 0 HA ARG X 10 74.512 -1.734 -11.337 1.00 1.00 H new ATOM 0 HB2 ARG X 10 73.839 1.202 -11.856 1.00 1.00 H new ATOM 0 HB3 ARG X 10 74.596 0.151 -13.036 1.00 1.00 H new ATOM 0 HG2 ARG X 10 72.654 -1.420 -12.899 1.00 1.00 H new ATOM 0 HG3 ARG X 10 71.900 -0.396 -11.693 1.00 1.00 H new ATOM 0 HD2 ARG X 10 70.928 0.153 -13.871 1.00 1.00 H new ATOM 0 HD3 ARG X 10 71.904 1.513 -13.352 1.00 1.00 H new ATOM 0 HE ARG X 10 73.550 -0.268 -14.911 1.00 1.00 H new ATOM 0 HH11 ARG X 10 70.862 1.979 -15.121 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.201 2.429 -16.796 1.00 1.00 H new ATOM 0 HH21 ARG X 10 73.975 0.319 -17.061 1.00 1.00 H new ATOM 0 HH22 ARG X 10 72.948 1.497 -17.884 1.00 1.00 H new ATOM 162 N TYR X 11 76.113 0.765 -9.937 1.00 1.00 N ATOM 163 CA TYR X 11 77.441 1.274 -9.615 1.00 1.00 C ATOM 164 C TYR X 11 78.308 0.162 -9.029 1.00 1.00 C ATOM 165 O TYR X 11 79.456 -0.029 -9.439 1.00 1.00 O ATOM 166 CB TYR X 11 77.320 2.419 -8.604 1.00 1.00 C ATOM 167 CG TYR X 11 78.698 2.889 -8.208 1.00 1.00 C ATOM 168 CD1 TYR X 11 79.462 3.635 -9.113 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.214 2.579 -6.944 1.00 1.00 C ATOM 170 CE1 TYR X 11 80.743 4.072 -8.753 1.00 1.00 C ATOM 171 CE2 TYR X 11 80.495 3.016 -6.584 1.00 1.00 C ATOM 172 CZ TYR X 11 81.259 3.762 -7.489 1.00 1.00 C ATOM 173 OH TYR X 11 82.521 4.193 -7.134 1.00 1.00 O ATOM 0 H TYR X 11 75.346 1.250 -9.471 1.00 1.00 H new ATOM 0 HA TYR X 11 77.909 1.640 -10.528 1.00 1.00 H new ATOM 0 HB2 TYR X 11 76.754 3.243 -9.038 1.00 1.00 H new ATOM 0 HB3 TYR X 11 76.771 2.084 -7.724 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.064 3.873 -10.088 1.00 1.00 H new ATOM 0 HD2 TYR X 11 78.624 2.003 -6.246 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.333 4.648 -9.451 1.00 1.00 H new ATOM 0 HE2 TYR X 11 80.893 2.778 -5.609 1.00 1.00 H new ATOM 0 HH TYR X 11 82.725 3.893 -6.224 1.00 1.00 H new ATOM 183 N VAL X 12 77.751 -0.574 -8.075 1.00 1.00 N ATOM 184 CA VAL X 12 78.487 -1.666 -7.451 1.00 1.00 C ATOM 185 C VAL X 12 78.805 -2.737 -8.474 1.00 1.00 C ATOM 186 O VAL X 12 79.929 -3.217 -8.544 1.00 1.00 O ATOM 187 CB VAL X 12 77.670 -2.275 -6.320 1.00 1.00 C ATOM 188 CG1 VAL X 12 78.368 -3.526 -5.777 1.00 1.00 C ATOM 189 CG2 VAL X 12 77.560 -1.261 -5.200 1.00 1.00 C ATOM 0 H VAL X 12 76.804 -0.437 -7.720 1.00 1.00 H new ATOM 0 HA VAL X 12 79.417 -1.266 -7.048 1.00 1.00 H new ATOM 0 HB VAL X 12 76.684 -2.546 -6.696 1.00 1.00 H new ATOM 0 HG11 VAL X 12 77.774 -3.952 -4.969 1.00 1.00 H new ATOM 0 HG12 VAL X 12 78.473 -4.260 -6.576 1.00 1.00 H new ATOM 0 HG13 VAL X 12 79.355 -3.257 -5.399 1.00 1.00 H new ATOM 0 HG21 VAL X 12 76.977 -1.684 -4.382 1.00 1.00 H new ATOM 0 HG22 VAL X 12 78.557 -1.006 -4.841 1.00 1.00 H new ATOM 0 HG23 VAL X 12 77.067 -0.362 -5.570 1.00 1.00 H new ATOM 199 N GLU X 13 77.808 -3.110 -9.266 1.00 1.00 N ATOM 200 CA GLU X 13 78.013 -4.137 -10.278 1.00 1.00 C ATOM 201 C GLU X 13 79.295 -3.869 -11.056 1.00 1.00 C ATOM 202 O GLU X 13 80.030 -4.795 -11.394 1.00 1.00 O ATOM 203 CB GLU X 13 76.831 -4.173 -11.254 1.00 1.00 C ATOM 204 CG GLU X 13 75.593 -4.727 -10.549 1.00 1.00 C ATOM 205 CD GLU X 13 74.422 -4.806 -11.523 1.00 1.00 C ATOM 206 OE1 GLU X 13 74.593 -4.411 -12.664 1.00 1.00 O ATOM 207 OE2 GLU X 13 73.373 -5.275 -11.112 1.00 1.00 O ATOM 0 H GLU X 13 76.864 -2.724 -9.229 1.00 1.00 H new ATOM 0 HA GLU X 13 78.092 -5.099 -9.771 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.628 -3.170 -11.631 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.078 -4.793 -12.116 1.00 1.00 H new ATOM 0 HG2 GLU X 13 75.808 -5.717 -10.146 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.331 -4.089 -9.705 1.00 1.00 H new ATOM 214 N GLN X 14 79.565 -2.601 -11.336 1.00 1.00 N ATOM 215 CA GLN X 14 80.773 -2.247 -12.071 1.00 1.00 C ATOM 216 C GLN X 14 82.010 -2.558 -11.247 1.00 1.00 C ATOM 217 O GLN X 14 82.963 -3.167 -11.737 1.00 1.00 O ATOM 218 CB GLN X 14 80.753 -0.759 -12.424 1.00 1.00 C ATOM 219 CG GLN X 14 79.653 -0.491 -13.451 1.00 1.00 C ATOM 220 CD GLN X 14 79.575 1.001 -13.758 1.00 1.00 C ATOM 221 OE1 GLN X 14 79.230 1.800 -12.888 1.00 1.00 O ATOM 222 NE2 GLN X 14 79.880 1.425 -14.953 1.00 1.00 N ATOM 0 H GLN X 14 78.976 -1.812 -11.071 1.00 1.00 H new ATOM 0 HA GLN X 14 80.804 -2.837 -12.987 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.580 -0.164 -11.527 1.00 1.00 H new ATOM 0 HB3 GLN X 14 81.720 -0.457 -12.825 1.00 1.00 H new ATOM 0 HG2 GLN X 14 79.855 -1.048 -14.366 1.00 1.00 H new ATOM 0 HG3 GLN X 14 78.694 -0.842 -13.069 1.00 1.00 H new ATOM 0 HE21 GLN X 14 80.166 0.761 -15.672 1.00 1.00 H new ATOM 0 HE22 GLN X 14 79.833 2.421 -15.168 1.00 1.00 H new ATOM 231 N LEU X 15 81.990 -2.137 -9.991 1.00 1.00 N ATOM 232 CA LEU X 15 83.117 -2.378 -9.110 1.00 1.00 C ATOM 233 C LEU X 15 83.302 -3.867 -8.881 1.00 1.00 C ATOM 234 O LEU X 15 84.424 -4.349 -8.828 1.00 1.00 O ATOM 235 CB LEU X 15 82.910 -1.692 -7.767 1.00 1.00 C ATOM 236 CG LEU X 15 82.890 -0.170 -7.961 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.557 0.515 -6.637 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.261 0.327 -8.437 1.00 1.00 C ATOM 0 H LEU X 15 81.213 -1.632 -9.565 1.00 1.00 H new ATOM 0 HA LEU X 15 84.006 -1.968 -9.589 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.973 -2.023 -7.319 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.708 -1.970 -7.079 1.00 1.00 H new ATOM 0 HG LEU X 15 82.135 0.071 -8.710 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.544 1.596 -6.780 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.578 0.183 -6.292 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.311 0.256 -5.894 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.230 1.408 -8.570 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.018 0.074 -7.694 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.511 -0.148 -9.386 1.00 1.00 H new ATOM 250 N LYS X 16 82.199 -4.586 -8.732 1.00 1.00 N ATOM 251 CA LYS X 16 82.263 -6.012 -8.486 1.00 1.00 C ATOM 252 C LYS X 16 83.033 -6.715 -9.601 1.00 1.00 C ATOM 253 O LYS X 16 83.843 -7.599 -9.335 1.00 1.00 O ATOM 254 CB LYS X 16 80.850 -6.580 -8.421 1.00 1.00 C ATOM 255 CG LYS X 16 80.853 -7.880 -7.619 1.00 1.00 C ATOM 256 CD LYS X 16 79.813 -8.836 -8.202 1.00 1.00 C ATOM 257 CE LYS X 16 79.674 -10.057 -7.288 1.00 1.00 C ATOM 258 NZ LYS X 16 80.932 -10.857 -7.323 1.00 1.00 N ATOM 0 H LYS X 16 81.254 -4.204 -8.778 1.00 1.00 H new ATOM 0 HA LYS X 16 82.778 -6.179 -7.540 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.178 -5.857 -7.958 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.475 -6.764 -9.428 1.00 1.00 H new ATOM 0 HG2 LYS X 16 81.842 -8.337 -7.650 1.00 1.00 H new ATOM 0 HG3 LYS X 16 80.629 -7.675 -6.572 1.00 1.00 H new ATOM 0 HD2 LYS X 16 78.852 -8.330 -8.300 1.00 1.00 H new ATOM 0 HD3 LYS X 16 80.111 -9.149 -9.202 1.00 1.00 H new ATOM 0 HE2 LYS X 16 79.463 -9.737 -6.267 1.00 1.00 H new ATOM 0 HE3 LYS X 16 78.832 -10.670 -7.610 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 80.700 -11.865 -7.434 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 81.519 -10.547 -8.124 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 81.456 -10.718 -6.436 1.00 1.00 H new ATOM 272 N GLN X 17 82.773 -6.329 -10.847 1.00 1.00 N ATOM 273 CA GLN X 17 83.456 -6.955 -11.976 1.00 1.00 C ATOM 274 C GLN X 17 84.921 -6.531 -12.043 1.00 1.00 C ATOM 275 O GLN X 17 85.826 -7.369 -12.099 1.00 1.00 O ATOM 276 CB GLN X 17 82.759 -6.567 -13.276 1.00 1.00 C ATOM 277 CG GLN X 17 81.352 -7.156 -13.284 1.00 1.00 C ATOM 278 CD GLN X 17 80.657 -6.825 -14.601 1.00 1.00 C ATOM 279 OE1 GLN X 17 81.235 -6.148 -15.452 1.00 1.00 O ATOM 280 NE2 GLN X 17 79.449 -7.265 -14.824 1.00 1.00 N ATOM 0 H GLN X 17 82.107 -5.599 -11.099 1.00 1.00 H new ATOM 0 HA GLN X 17 83.417 -8.035 -11.837 1.00 1.00 H new ATOM 0 HB2 GLN X 17 82.713 -5.482 -13.368 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.326 -6.936 -14.131 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.400 -8.237 -13.150 1.00 1.00 H new ATOM 0 HG3 GLN X 17 80.777 -6.757 -12.449 1.00 1.00 H new ATOM 0 HE21 GLN X 17 78.972 -7.826 -14.118 1.00 1.00 H new ATOM 0 HE22 GLN X 17 78.982 -7.048 -15.704 1.00 1.00 H new ATOM 289 N ALA X 18 85.144 -5.224 -12.047 1.00 1.00 N ATOM 290 CA ALA X 18 86.500 -4.692 -12.126 1.00 1.00 C ATOM 291 C ALA X 18 87.356 -5.204 -10.974 1.00 1.00 C ATOM 292 O ALA X 18 88.457 -5.701 -11.191 1.00 1.00 O ATOM 293 CB ALA X 18 86.468 -3.164 -12.094 1.00 1.00 C ATOM 0 H ALA X 18 84.411 -4.516 -11.997 1.00 1.00 H new ATOM 0 HA ALA X 18 86.939 -5.030 -13.065 1.00 1.00 H new ATOM 0 HB1 ALA X 18 87.485 -2.777 -12.153 1.00 1.00 H new ATOM 0 HB2 ALA X 18 85.889 -2.794 -12.941 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.006 -2.829 -11.165 1.00 1.00 H new ATOM 299 N LEU X 19 86.838 -5.089 -9.755 1.00 1.00 N ATOM 300 CA LEU X 19 87.556 -5.541 -8.566 1.00 1.00 C ATOM 301 C LEU X 19 87.844 -7.034 -8.643 1.00 1.00 C ATOM 302 O LEU X 19 88.901 -7.492 -8.208 1.00 1.00 O ATOM 303 CB LEU X 19 86.727 -5.224 -7.309 1.00 1.00 C ATOM 304 CG LEU X 19 86.680 -3.710 -7.067 1.00 1.00 C ATOM 305 CD1 LEU X 19 85.640 -3.426 -5.988 1.00 1.00 C ATOM 306 CD2 LEU X 19 88.045 -3.162 -6.605 1.00 1.00 C ATOM 0 H LEU X 19 85.921 -4.686 -9.563 1.00 1.00 H new ATOM 0 HA LEU X 19 88.509 -5.014 -8.512 1.00 1.00 H new ATOM 0 HB2 LEU X 19 85.715 -5.612 -7.426 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.162 -5.724 -6.443 1.00 1.00 H new ATOM 0 HG LEU X 19 86.421 -3.218 -8.005 1.00 1.00 H new ATOM 0 HD11 LEU X 19 85.592 -2.353 -5.802 1.00 1.00 H new ATOM 0 HD12 LEU X 19 84.664 -3.780 -6.321 1.00 1.00 H new ATOM 0 HD13 LEU X 19 85.919 -3.941 -5.069 1.00 1.00 H new ATOM 0 HD21 LEU X 19 87.970 -2.087 -6.444 1.00 1.00 H new ATOM 0 HD22 LEU X 19 88.336 -3.648 -5.674 1.00 1.00 H new ATOM 0 HD23 LEU X 19 88.795 -3.363 -7.370 1.00 1.00 H new ATOM 318 N LYS X 20 86.915 -7.793 -9.200 1.00 1.00 N ATOM 319 CA LYS X 20 87.109 -9.229 -9.319 1.00 1.00 C ATOM 320 C LYS X 20 88.388 -9.543 -10.088 1.00 1.00 C ATOM 321 O LYS X 20 89.118 -10.473 -9.742 1.00 1.00 O ATOM 322 CB LYS X 20 85.913 -9.855 -10.030 1.00 1.00 C ATOM 323 CG LYS X 20 86.074 -11.373 -10.073 1.00 1.00 C ATOM 324 CD LYS X 20 84.846 -11.988 -10.739 1.00 1.00 C ATOM 325 CE LYS X 20 84.997 -13.507 -10.774 1.00 1.00 C ATOM 326 NZ LYS X 20 83.804 -14.110 -11.429 1.00 1.00 N ATOM 0 H LYS X 20 86.031 -7.446 -9.572 1.00 1.00 H new ATOM 0 HA LYS X 20 87.198 -9.648 -8.317 1.00 1.00 H new ATOM 0 HB2 LYS X 20 84.991 -9.592 -9.511 1.00 1.00 H new ATOM 0 HB3 LYS X 20 85.832 -9.460 -11.043 1.00 1.00 H new ATOM 0 HG2 LYS X 20 86.975 -11.640 -10.626 1.00 1.00 H new ATOM 0 HG3 LYS X 20 86.191 -11.767 -9.064 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.945 -11.713 -10.190 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.734 -11.599 -11.751 1.00 1.00 H new ATOM 0 HE2 LYS X 20 85.901 -13.781 -11.318 1.00 1.00 H new ATOM 0 HE3 LYS X 20 85.104 -13.896 -9.761 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 83.907 -15.145 -11.453 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 82.949 -13.859 -10.892 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 83.721 -13.748 -12.400 1.00 1.00 H new ATOM 340 N THR X 21 88.655 -8.773 -11.134 1.00 1.00 N ATOM 341 CA THR X 21 89.850 -8.994 -11.939 1.00 1.00 C ATOM 342 C THR X 21 91.108 -8.599 -11.169 1.00 1.00 C ATOM 343 O THR X 21 92.221 -8.924 -11.578 1.00 1.00 O ATOM 344 CB THR X 21 89.761 -8.188 -13.234 1.00 1.00 C ATOM 345 OG1 THR X 21 89.601 -6.813 -12.922 1.00 1.00 O ATOM 346 CG2 THR X 21 88.565 -8.672 -14.054 1.00 1.00 C ATOM 0 H THR X 21 88.068 -7.998 -11.443 1.00 1.00 H new ATOM 0 HA THR X 21 89.911 -10.056 -12.176 1.00 1.00 H new ATOM 0 HB THR X 21 90.674 -8.324 -13.813 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.516 -6.706 -11.952 1.00 1.00 H new ATOM 0 HG21 THR X 21 88.501 -8.097 -14.978 1.00 1.00 H new ATOM 0 HG22 THR X 21 88.690 -9.728 -14.292 1.00 1.00 H new ATOM 0 HG23 THR X 21 87.650 -8.536 -13.478 1.00 1.00 H new ATOM 354 N ARG X 22 90.931 -7.887 -10.057 1.00 1.00 N ATOM 355 CA ARG X 22 92.070 -7.449 -9.254 1.00 1.00 C ATOM 356 C ARG X 22 92.436 -8.496 -8.204 1.00 1.00 C ATOM 357 O ARG X 22 93.437 -8.357 -7.504 1.00 1.00 O ATOM 358 CB ARG X 22 91.743 -6.130 -8.562 1.00 1.00 C ATOM 359 CG ARG X 22 91.332 -5.111 -9.619 1.00 1.00 C ATOM 360 CD ARG X 22 91.142 -3.740 -8.974 1.00 1.00 C ATOM 361 NE ARG X 22 90.520 -2.815 -9.917 1.00 1.00 N ATOM 362 CZ ARG X 22 91.159 -2.395 -11.003 1.00 1.00 C ATOM 363 NH1 ARG X 22 92.369 -2.819 -11.252 1.00 1.00 N ATOM 364 NH2 ARG X 22 90.579 -1.560 -11.822 1.00 1.00 N ATOM 0 H ARG X 22 90.020 -7.604 -9.695 1.00 1.00 H new ATOM 0 HA ARG X 22 92.921 -7.313 -9.921 1.00 1.00 H new ATOM 0 HB2 ARG X 22 90.938 -6.271 -7.841 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.609 -5.770 -8.007 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.093 -5.054 -10.397 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.407 -5.427 -10.101 1.00 1.00 H new ATOM 0 HD2 ARG X 22 90.521 -3.833 -8.083 1.00 1.00 H new ATOM 0 HD3 ARG X 22 92.106 -3.346 -8.651 1.00 1.00 H new ATOM 0 HE ARG X 22 89.572 -2.483 -9.738 1.00 1.00 H new ATOM 0 HH11 ARG X 22 92.822 -3.472 -10.613 1.00 1.00 H new ATOM 0 HH12 ARG X 22 92.861 -2.497 -12.086 1.00 1.00 H new ATOM 0 HH21 ARG X 22 89.634 -1.229 -11.628 1.00 1.00 H new ATOM 0 HH22 ARG X 22 91.071 -1.238 -12.656 1.00 1.00 H new ATOM 378 N GLY X 23 91.615 -9.540 -8.095 1.00 1.00 N ATOM 379 CA GLY X 23 91.862 -10.601 -7.121 1.00 1.00 C ATOM 380 C GLY X 23 90.844 -10.565 -5.989 1.00 1.00 C ATOM 381 O GLY X 23 91.097 -11.078 -4.898 1.00 1.00 O ATOM 0 H GLY X 23 90.779 -9.673 -8.665 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.821 -11.570 -7.618 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.867 -10.495 -6.712 1.00 1.00 H new ATOM 385 N VAL X 24 89.695 -9.958 -6.251 1.00 1.00 N ATOM 386 CA VAL X 24 88.652 -9.867 -5.240 1.00 1.00 C ATOM 387 C VAL X 24 87.588 -10.943 -5.456 1.00 1.00 C ATOM 388 O VAL X 24 87.047 -11.081 -6.550 1.00 1.00 O ATOM 389 CB VAL X 24 88.007 -8.486 -5.300 1.00 1.00 C ATOM 390 CG1 VAL X 24 86.952 -8.367 -4.197 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.095 -7.428 -5.106 1.00 1.00 C ATOM 0 H VAL X 24 89.463 -9.526 -7.145 1.00 1.00 H new ATOM 0 HA VAL X 24 89.103 -10.023 -4.260 1.00 1.00 H new ATOM 0 HB VAL X 24 87.523 -8.338 -6.265 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.491 -7.380 -4.240 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.188 -9.131 -4.340 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.425 -8.505 -3.225 1.00 1.00 H new ATOM 0 HG21 VAL X 24 88.648 -6.435 -5.147 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.573 -7.571 -4.137 1.00 1.00 H new ATOM 0 HG23 VAL X 24 89.840 -7.523 -5.896 1.00 1.00 H new ATOM 401 N LYS X 25 87.294 -11.701 -4.404 1.00 1.00 N ATOM 402 CA LYS X 25 86.289 -12.760 -4.485 1.00 1.00 C ATOM 403 C LYS X 25 85.209 -12.557 -3.431 1.00 1.00 C ATOM 404 O LYS X 25 85.261 -13.142 -2.349 1.00 1.00 O ATOM 405 CB LYS X 25 86.943 -14.126 -4.292 1.00 1.00 C ATOM 406 CG LYS X 25 87.788 -14.460 -5.520 1.00 1.00 C ATOM 407 CD LYS X 25 88.417 -15.845 -5.343 1.00 1.00 C ATOM 408 CE LYS X 25 89.248 -16.198 -6.578 1.00 1.00 C ATOM 409 NZ LYS X 25 89.848 -17.553 -6.404 1.00 1.00 N ATOM 0 H LYS X 25 87.734 -11.604 -3.489 1.00 1.00 H new ATOM 0 HA LYS X 25 85.830 -12.718 -5.473 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.567 -14.120 -3.398 1.00 1.00 H new ATOM 0 HB3 LYS X 25 86.180 -14.890 -4.143 1.00 1.00 H new ATOM 0 HG2 LYS X 25 87.169 -14.441 -6.417 1.00 1.00 H new ATOM 0 HG3 LYS X 25 88.567 -13.709 -5.654 1.00 1.00 H new ATOM 0 HD2 LYS X 25 89.047 -15.857 -4.454 1.00 1.00 H new ATOM 0 HD3 LYS X 25 87.638 -16.592 -5.192 1.00 1.00 H new ATOM 0 HE2 LYS X 25 88.621 -16.178 -7.469 1.00 1.00 H new ATOM 0 HE3 LYS X 25 90.034 -15.457 -6.725 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 90.413 -17.793 -7.244 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 90.459 -17.557 -5.563 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 89.090 -18.255 -6.284 1.00 1.00 H new ATOM 423 N VAL X 26 84.227 -11.724 -3.759 1.00 1.00 N ATOM 424 CA VAL X 26 83.129 -11.448 -2.835 1.00 1.00 C ATOM 425 C VAL X 26 81.790 -11.425 -3.574 1.00 1.00 C ATOM 426 O VAL X 26 81.745 -11.232 -4.788 1.00 1.00 O ATOM 427 CB VAL X 26 83.353 -10.100 -2.145 1.00 1.00 C ATOM 428 CG1 VAL X 26 84.665 -10.139 -1.359 1.00 1.00 C ATOM 429 CG2 VAL X 26 83.421 -8.989 -3.197 1.00 1.00 C ATOM 0 H VAL X 26 84.167 -11.231 -4.650 1.00 1.00 H new ATOM 0 HA VAL X 26 83.104 -12.242 -2.088 1.00 1.00 H new ATOM 0 HB VAL X 26 82.526 -9.902 -1.463 1.00 1.00 H new ATOM 0 HG11 VAL X 26 84.824 -9.179 -0.868 1.00 1.00 H new ATOM 0 HG12 VAL X 26 84.616 -10.927 -0.608 1.00 1.00 H new ATOM 0 HG13 VAL X 26 85.492 -10.339 -2.041 1.00 1.00 H new ATOM 0 HG21 VAL X 26 83.580 -8.030 -2.704 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.246 -9.186 -3.882 1.00 1.00 H new ATOM 0 HG23 VAL X 26 82.485 -8.959 -3.755 1.00 1.00 H new ATOM 439 N LYS X 27 80.701 -11.623 -2.833 1.00 1.00 N ATOM 440 CA LYS X 27 79.368 -11.622 -3.426 1.00 1.00 C ATOM 441 C LYS X 27 78.899 -10.191 -3.687 1.00 1.00 C ATOM 442 O LYS X 27 79.450 -9.239 -3.140 1.00 1.00 O ATOM 443 CB LYS X 27 78.394 -12.306 -2.475 1.00 1.00 C ATOM 444 CG LYS X 27 78.916 -13.701 -2.140 1.00 1.00 C ATOM 445 CD LYS X 27 78.030 -14.322 -1.066 1.00 1.00 C ATOM 446 CE LYS X 27 78.644 -15.644 -0.609 1.00 1.00 C ATOM 447 NZ LYS X 27 77.742 -16.300 0.381 1.00 1.00 N ATOM 0 H LYS X 27 80.717 -11.785 -1.826 1.00 1.00 H new ATOM 0 HA LYS X 27 79.404 -12.159 -4.374 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.283 -11.718 -1.564 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.407 -12.374 -2.933 1.00 1.00 H new ATOM 0 HG2 LYS X 27 78.918 -14.326 -3.033 1.00 1.00 H new ATOM 0 HG3 LYS X 27 79.946 -13.643 -1.790 1.00 1.00 H new ATOM 0 HD2 LYS X 27 77.932 -13.641 -0.220 1.00 1.00 H new ATOM 0 HD3 LYS X 27 77.027 -14.490 -1.458 1.00 1.00 H new ATOM 0 HE2 LYS X 27 78.798 -16.300 -1.466 1.00 1.00 H new ATOM 0 HE3 LYS X 27 79.623 -15.467 -0.163 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 78.162 -17.200 0.691 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 77.616 -15.676 1.203 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 76.818 -16.483 -0.059 1.00 1.00 H new ATOM 461 N TYR X 28 77.883 -10.044 -4.527 1.00 1.00 N ATOM 462 CA TYR X 28 77.356 -8.723 -4.849 1.00 1.00 C ATOM 463 C TYR X 28 76.802 -8.047 -3.602 1.00 1.00 C ATOM 464 O TYR X 28 77.031 -6.858 -3.369 1.00 1.00 O ATOM 465 CB TYR X 28 76.251 -8.848 -5.890 1.00 1.00 C ATOM 466 CG TYR X 28 75.659 -7.487 -6.156 1.00 1.00 C ATOM 467 CD1 TYR X 28 76.382 -6.553 -6.908 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.391 -7.159 -5.664 1.00 1.00 C ATOM 469 CE1 TYR X 28 75.835 -5.291 -7.169 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.845 -5.896 -5.924 1.00 1.00 C ATOM 471 CZ TYR X 28 74.567 -4.963 -6.676 1.00 1.00 C ATOM 472 OH TYR X 28 74.029 -3.721 -6.938 1.00 1.00 O ATOM 0 H TYR X 28 77.410 -10.817 -4.995 1.00 1.00 H new ATOM 0 HA TYR X 28 78.169 -8.115 -5.247 1.00 1.00 H new ATOM 0 HB2 TYR X 28 76.651 -9.270 -6.812 1.00 1.00 H new ATOM 0 HB3 TYR X 28 75.478 -9.530 -5.536 1.00 1.00 H new ATOM 0 HD1 TYR X 28 77.361 -6.806 -7.287 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.834 -7.880 -5.084 1.00 1.00 H new ATOM 0 HE1 TYR X 28 76.391 -4.571 -7.751 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.866 -5.642 -5.544 1.00 1.00 H new ATOM 0 HH TYR X 28 74.723 -3.134 -7.304 1.00 1.00 H new ATOM 482 N ALA X 29 76.072 -8.815 -2.809 1.00 1.00 N ATOM 483 CA ALA X 29 75.482 -8.296 -1.584 1.00 1.00 C ATOM 484 C ALA X 29 76.561 -7.755 -0.655 1.00 1.00 C ATOM 485 O ALA X 29 76.299 -6.878 0.166 1.00 1.00 O ATOM 486 CB ALA X 29 74.698 -9.396 -0.865 1.00 1.00 C ATOM 0 H ALA X 29 75.874 -9.799 -2.991 1.00 1.00 H new ATOM 0 HA ALA X 29 74.805 -7.485 -1.852 1.00 1.00 H new ATOM 0 HB1 ALA X 29 74.262 -8.994 0.050 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.903 -9.761 -1.516 1.00 1.00 H new ATOM 0 HB3 ALA X 29 75.369 -10.218 -0.616 1.00 1.00 H new ATOM 492 N ASP X 30 77.771 -8.290 -0.769 1.00 1.00 N ATOM 493 CA ASP X 30 78.857 -7.852 0.098 1.00 1.00 C ATOM 494 C ASP X 30 79.170 -6.377 -0.120 1.00 1.00 C ATOM 495 O ASP X 30 79.190 -5.595 0.826 1.00 1.00 O ATOM 496 CB ASP X 30 80.106 -8.677 -0.190 1.00 1.00 C ATOM 497 CG ASP X 30 79.789 -10.162 -0.046 1.00 1.00 C ATOM 498 OD1 ASP X 30 78.703 -10.472 0.417 1.00 1.00 O ATOM 499 OD2 ASP X 30 80.635 -10.967 -0.399 1.00 1.00 O ATOM 0 H ASP X 30 78.022 -9.015 -1.441 1.00 1.00 H new ATOM 0 HA ASP X 30 78.545 -7.993 1.133 1.00 1.00 H new ATOM 0 HB2 ASP X 30 80.466 -8.469 -1.197 1.00 1.00 H new ATOM 0 HB3 ASP X 30 80.904 -8.398 0.498 1.00 1.00 H new ATOM 504 N LEU X 31 79.405 -6.004 -1.373 1.00 1.00 N ATOM 505 CA LEU X 31 79.710 -4.616 -1.700 1.00 1.00 C ATOM 506 C LEU X 31 78.472 -3.741 -1.571 1.00 1.00 C ATOM 507 O LEU X 31 78.554 -2.590 -1.143 1.00 1.00 O ATOM 508 CB LEU X 31 80.258 -4.516 -3.127 1.00 1.00 C ATOM 509 CG LEU X 31 81.635 -5.186 -3.204 1.00 1.00 C ATOM 510 CD1 LEU X 31 82.085 -5.282 -4.663 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.671 -4.387 -2.398 1.00 1.00 C ATOM 0 H LEU X 31 79.391 -6.637 -2.173 1.00 1.00 H new ATOM 0 HA LEU X 31 80.463 -4.263 -0.995 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.571 -4.995 -3.824 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.335 -3.470 -3.424 1.00 1.00 H new ATOM 0 HG LEU X 31 81.556 -6.187 -2.780 1.00 1.00 H new ATOM 0 HD11 LEU X 31 83.064 -5.759 -4.711 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.365 -5.874 -5.228 1.00 1.00 H new ATOM 0 HD13 LEU X 31 82.147 -4.282 -5.091 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.642 -4.878 -2.465 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.747 -3.378 -2.802 1.00 1.00 H new ATOM 0 HD23 LEU X 31 82.361 -4.338 -1.354 1.00 1.00 H new ATOM 523 N LEU X 32 77.326 -4.282 -1.968 1.00 1.00 N ATOM 524 CA LEU X 32 76.088 -3.520 -1.918 1.00 1.00 C ATOM 525 C LEU X 32 75.755 -3.144 -0.478 1.00 1.00 C ATOM 526 O LEU X 32 75.416 -1.997 -0.187 1.00 1.00 O ATOM 527 CB LEU X 32 74.956 -4.354 -2.522 1.00 1.00 C ATOM 528 CG LEU X 32 73.691 -3.500 -2.652 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.916 -2.397 -3.688 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.517 -4.376 -3.100 1.00 1.00 C ATOM 0 H LEU X 32 77.230 -5.233 -2.323 1.00 1.00 H new ATOM 0 HA LEU X 32 76.207 -2.602 -2.493 1.00 1.00 H new ATOM 0 HB2 LEU X 32 75.253 -4.731 -3.501 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.756 -5.222 -1.893 1.00 1.00 H new ATOM 0 HG LEU X 32 73.465 -3.053 -1.684 1.00 1.00 H new ATOM 0 HD11 LEU X 32 73.014 -1.792 -3.777 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.747 -1.765 -3.373 1.00 1.00 H new ATOM 0 HD13 LEU X 32 74.148 -2.847 -4.653 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.620 -3.764 -3.191 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.747 -4.827 -4.065 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.347 -5.161 -2.363 1.00 1.00 H new ATOM 542 N LYS X 33 75.864 -4.114 0.418 1.00 1.00 N ATOM 543 CA LYS X 33 75.585 -3.872 1.826 1.00 1.00 C ATOM 544 C LYS X 33 76.620 -2.926 2.424 1.00 1.00 C ATOM 545 O LYS X 33 76.290 -2.068 3.243 1.00 1.00 O ATOM 546 CB LYS X 33 75.580 -5.192 2.594 1.00 1.00 C ATOM 547 CG LYS X 33 74.349 -6.007 2.191 1.00 1.00 C ATOM 548 CD LYS X 33 74.411 -7.385 2.848 1.00 1.00 C ATOM 549 CE LYS X 33 73.270 -8.247 2.312 1.00 1.00 C ATOM 550 NZ LYS X 33 71.964 -7.695 2.775 1.00 1.00 N ATOM 0 H LYS X 33 76.142 -5.070 0.197 1.00 1.00 H new ATOM 0 HA LYS X 33 74.602 -3.407 1.908 1.00 1.00 H new ATOM 0 HB2 LYS X 33 76.489 -5.754 2.379 1.00 1.00 H new ATOM 0 HB3 LYS X 33 75.569 -5.002 3.667 1.00 1.00 H new ATOM 0 HG2 LYS X 33 73.440 -5.488 2.496 1.00 1.00 H new ATOM 0 HG3 LYS X 33 74.308 -6.111 1.107 1.00 1.00 H new ATOM 0 HD2 LYS X 33 75.370 -7.858 2.638 1.00 1.00 H new ATOM 0 HD3 LYS X 33 74.333 -7.289 3.931 1.00 1.00 H new ATOM 0 HE2 LYS X 33 73.300 -8.271 1.223 1.00 1.00 H new ATOM 0 HE3 LYS X 33 73.384 -9.275 2.657 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 71.212 -8.392 2.601 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 72.016 -7.488 3.793 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 71.753 -6.820 2.254 1.00 1.00 H new ATOM 564 N PHE X 34 77.877 -3.101 2.026 1.00 1.00 N ATOM 565 CA PHE X 34 78.950 -2.268 2.550 1.00 1.00 C ATOM 566 C PHE X 34 78.689 -0.795 2.229 1.00 1.00 C ATOM 567 O PHE X 34 78.794 0.069 3.101 1.00 1.00 O ATOM 568 CB PHE X 34 80.286 -2.697 1.930 1.00 1.00 C ATOM 569 CG PHE X 34 81.423 -2.362 2.867 1.00 1.00 C ATOM 570 CD1 PHE X 34 81.746 -1.025 3.127 1.00 1.00 C ATOM 571 CD2 PHE X 34 82.147 -3.390 3.482 1.00 1.00 C ATOM 572 CE1 PHE X 34 82.792 -0.716 4.003 1.00 1.00 C ATOM 573 CE2 PHE X 34 83.194 -3.081 4.359 1.00 1.00 C ATOM 574 CZ PHE X 34 83.516 -1.743 4.619 1.00 1.00 C ATOM 0 H PHE X 34 78.174 -3.805 1.350 1.00 1.00 H new ATOM 0 HA PHE X 34 78.991 -2.391 3.632 1.00 1.00 H new ATOM 0 HB2 PHE X 34 80.275 -3.768 1.727 1.00 1.00 H new ATOM 0 HB3 PHE X 34 80.431 -2.193 0.974 1.00 1.00 H new ATOM 0 HD1 PHE X 34 81.188 -0.232 2.651 1.00 1.00 H new ATOM 0 HD2 PHE X 34 81.898 -4.421 3.280 1.00 1.00 H new ATOM 0 HE1 PHE X 34 83.041 0.316 4.204 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.753 -3.874 4.834 1.00 1.00 H new ATOM 0 HZ PHE X 34 84.323 -1.504 5.295 1.00 1.00 H new ATOM 584 N PHE X 35 78.342 -0.519 0.974 1.00 1.00 N ATOM 585 CA PHE X 35 78.065 0.850 0.555 1.00 1.00 C ATOM 586 C PHE X 35 76.849 1.393 1.293 1.00 1.00 C ATOM 587 O PHE X 35 76.752 2.586 1.569 1.00 1.00 O ATOM 588 CB PHE X 35 77.820 0.912 -0.958 1.00 1.00 C ATOM 589 CG PHE X 35 78.962 1.640 -1.637 1.00 1.00 C ATOM 590 CD1 PHE X 35 79.241 2.968 -1.292 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.735 0.992 -2.607 1.00 1.00 C ATOM 592 CE1 PHE X 35 80.292 3.648 -1.917 1.00 1.00 C ATOM 593 CE2 PHE X 35 80.788 1.672 -3.232 1.00 1.00 C ATOM 594 CZ PHE X 35 81.066 2.999 -2.887 1.00 1.00 C ATOM 0 H PHE X 35 78.247 -1.218 0.237 1.00 1.00 H new ATOM 0 HA PHE X 35 78.934 1.462 0.797 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.729 -0.096 -1.362 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.879 1.423 -1.162 1.00 1.00 H new ATOM 0 HD1 PHE X 35 78.645 3.468 -0.543 1.00 1.00 H new ATOM 0 HD2 PHE X 35 79.520 -0.032 -2.874 1.00 1.00 H new ATOM 0 HE1 PHE X 35 80.506 4.673 -1.652 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.385 1.172 -3.980 1.00 1.00 H new ATOM 0 HZ PHE X 35 81.878 3.523 -3.369 1.00 1.00 H new ATOM 604 N ASP X 36 75.917 0.510 1.606 1.00 1.00 N ATOM 605 CA ASP X 36 74.717 0.921 2.309 1.00 1.00 C ATOM 606 C ASP X 36 75.061 1.369 3.728 1.00 1.00 C ATOM 607 O ASP X 36 74.425 2.271 4.272 1.00 1.00 O ATOM 608 CB ASP X 36 73.714 -0.235 2.355 1.00 1.00 C ATOM 609 CG ASP X 36 72.891 -0.275 1.066 1.00 1.00 C ATOM 610 OD1 ASP X 36 73.080 0.600 0.238 1.00 1.00 O ATOM 611 OD2 ASP X 36 72.106 -1.198 0.915 1.00 1.00 O ATOM 0 H ASP X 36 75.967 -0.485 1.387 1.00 1.00 H new ATOM 0 HA ASP X 36 74.270 1.759 1.775 1.00 1.00 H new ATOM 0 HB2 ASP X 36 74.243 -1.179 2.487 1.00 1.00 H new ATOM 0 HB3 ASP X 36 73.053 -0.118 3.213 1.00 1.00 H new ATOM 616 N PHE X 37 76.057 0.723 4.331 1.00 1.00 N ATOM 617 CA PHE X 37 76.457 1.060 5.695 1.00 1.00 C ATOM 618 C PHE X 37 77.044 2.470 5.767 1.00 1.00 C ATOM 619 O PHE X 37 76.602 3.308 6.564 1.00 1.00 O ATOM 620 CB PHE X 37 77.507 0.052 6.165 1.00 1.00 C ATOM 621 CG PHE X 37 77.518 -0.004 7.672 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.988 1.089 8.408 1.00 1.00 C ATOM 623 CD2 PHE X 37 77.050 -1.146 8.334 1.00 1.00 C ATOM 624 CE1 PHE X 37 77.989 1.042 9.807 1.00 1.00 C ATOM 625 CE2 PHE X 37 77.051 -1.193 9.733 1.00 1.00 C ATOM 626 CZ PHE X 37 77.521 -0.098 10.470 1.00 1.00 C ATOM 0 H PHE X 37 76.597 -0.029 3.902 1.00 1.00 H new ATOM 0 HA PHE X 37 75.576 1.024 6.336 1.00 1.00 H new ATOM 0 HB2 PHE X 37 77.287 -0.934 5.756 1.00 1.00 H new ATOM 0 HB3 PHE X 37 78.491 0.338 5.795 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.350 1.969 7.897 1.00 1.00 H new ATOM 0 HD2 PHE X 37 76.688 -1.990 7.765 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.351 1.886 10.375 1.00 1.00 H new ATOM 0 HE2 PHE X 37 76.690 -2.073 10.244 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.522 -0.134 11.549 1.00 1.00 H new ATOM 636 N VAL X 38 78.044 2.731 4.932 1.00 1.00 N ATOM 637 CA VAL X 38 78.683 4.048 4.925 1.00 1.00 C ATOM 638 C VAL X 38 77.702 5.102 4.440 1.00 1.00 C ATOM 639 O VAL X 38 77.728 6.234 4.889 1.00 1.00 O ATOM 640 CB VAL X 38 79.921 4.047 4.024 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.489 3.877 2.568 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.696 5.372 4.185 1.00 1.00 C ATOM 0 H VAL X 38 78.426 2.064 4.262 1.00 1.00 H new ATOM 0 HA VAL X 38 78.992 4.281 5.944 1.00 1.00 H new ATOM 0 HB VAL X 38 80.572 3.221 4.311 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.369 3.876 1.925 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.956 2.933 2.455 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.833 4.700 2.284 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.574 5.360 3.540 1.00 1.00 H new ATOM 0 HG22 VAL X 38 80.052 6.206 3.906 1.00 1.00 H new ATOM 0 HG23 VAL X 38 81.010 5.486 5.223 1.00 1.00 H new ATOM 652 N LYS X 39 76.827 4.727 3.521 1.00 1.00 N ATOM 653 CA LYS X 39 75.848 5.675 3.007 1.00 1.00 C ATOM 654 C LYS X 39 74.958 6.189 4.130 1.00 1.00 C ATOM 655 O LYS X 39 74.576 7.358 4.150 1.00 1.00 O ATOM 656 CB LYS X 39 74.993 5.011 1.935 1.00 1.00 C ATOM 657 CG LYS X 39 75.678 5.140 0.573 1.00 1.00 C ATOM 658 CD LYS X 39 74.864 4.386 -0.483 1.00 1.00 C ATOM 659 CE LYS X 39 75.532 4.544 -1.851 1.00 1.00 C ATOM 660 NZ LYS X 39 74.762 3.778 -2.874 1.00 1.00 N ATOM 0 H LYS X 39 76.773 3.791 3.120 1.00 1.00 H new ATOM 0 HA LYS X 39 76.382 6.519 2.571 1.00 1.00 H new ATOM 0 HB2 LYS X 39 74.841 3.959 2.178 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.008 5.476 1.903 1.00 1.00 H new ATOM 0 HG2 LYS X 39 75.767 6.191 0.297 1.00 1.00 H new ATOM 0 HG3 LYS X 39 76.690 4.737 0.623 1.00 1.00 H new ATOM 0 HD2 LYS X 39 74.796 3.331 -0.220 1.00 1.00 H new ATOM 0 HD3 LYS X 39 73.845 4.773 -0.517 1.00 1.00 H new ATOM 0 HE2 LYS X 39 75.575 5.598 -2.127 1.00 1.00 H new ATOM 0 HE3 LYS X 39 76.560 4.183 -1.809 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 75.064 4.069 -3.826 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 74.938 2.760 -2.751 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 73.746 3.970 -2.760 1.00 1.00 H new ATOM 674 N ASP X 40 74.616 5.308 5.057 1.00 1.00 N ATOM 675 CA ASP X 40 73.763 5.692 6.172 1.00 1.00 C ATOM 676 C ASP X 40 74.449 6.737 7.051 1.00 1.00 C ATOM 677 O ASP X 40 73.844 7.746 7.412 1.00 1.00 O ATOM 678 CB ASP X 40 73.438 4.461 7.021 1.00 1.00 C ATOM 679 CG ASP X 40 72.317 3.649 6.376 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.749 4.122 5.406 1.00 1.00 O ATOM 681 OD2 ASP X 40 72.056 2.557 6.854 1.00 1.00 O ATOM 0 H ASP X 40 74.912 4.332 5.061 1.00 1.00 H new ATOM 0 HA ASP X 40 72.846 6.120 5.767 1.00 1.00 H new ATOM 0 HB2 ASP X 40 74.328 3.841 7.130 1.00 1.00 H new ATOM 0 HB3 ASP X 40 73.141 4.771 8.023 1.00 1.00 H new ATOM 836 N ILE X 51 94.826 7.533 0.437 1.00 1.00 N ATOM 837 CA ILE X 51 93.698 6.729 -0.023 1.00 1.00 C ATOM 838 C ILE X 51 92.402 7.219 0.616 1.00 1.00 C ATOM 839 O ILE X 51 92.176 7.033 1.812 1.00 1.00 O ATOM 840 CB ILE X 51 93.931 5.256 0.348 1.00 1.00 C ATOM 841 CG1 ILE X 51 95.152 4.701 -0.404 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.694 4.434 -0.021 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.786 3.569 0.404 1.00 1.00 C ATOM 0 HA ILE X 51 93.615 6.825 -1.106 1.00 1.00 H new ATOM 0 HB ILE X 51 94.114 5.189 1.420 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.851 4.335 -1.386 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.881 5.495 -0.569 1.00 1.00 H new ATOM 0 HG21 ILE X 51 92.860 3.389 0.242 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.829 4.813 0.524 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.511 4.513 -1.093 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.651 3.179 -0.133 1.00 1.00 H new ATOM 0 HD12 ILE X 51 96.103 3.949 1.375 1.00 1.00 H new ATOM 0 HD13 ILE X 51 95.057 2.771 0.546 1.00 1.00 H new ATOM 855 N ASP X 52 91.555 7.849 -0.195 1.00 1.00 N ATOM 856 CA ASP X 52 90.282 8.367 0.291 1.00 1.00 C ATOM 857 C ASP X 52 89.370 7.225 0.719 1.00 1.00 C ATOM 858 O ASP X 52 88.620 7.344 1.687 1.00 1.00 O ATOM 859 CB ASP X 52 89.603 9.187 -0.803 1.00 1.00 C ATOM 860 CG ASP X 52 88.311 9.796 -0.270 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.959 9.495 0.859 1.00 1.00 O ATOM 862 OD2 ASP X 52 87.696 10.563 -0.994 1.00 1.00 O ATOM 0 H ASP X 52 91.728 8.012 -1.187 1.00 1.00 H new ATOM 0 HA ASP X 52 90.473 9.005 1.154 1.00 1.00 H new ATOM 0 HB2 ASP X 52 90.272 9.976 -1.146 1.00 1.00 H new ATOM 0 HB3 ASP X 52 89.389 8.554 -1.664 1.00 1.00 H new ATOM 867 N ILE X 53 89.443 6.119 -0.011 1.00 1.00 N ATOM 868 CA ILE X 53 88.626 4.955 0.300 1.00 1.00 C ATOM 869 C ILE X 53 88.975 4.399 1.675 1.00 1.00 C ATOM 870 O ILE X 53 88.231 3.604 2.246 1.00 1.00 O ATOM 871 CB ILE X 53 88.815 3.877 -0.759 1.00 1.00 C ATOM 872 CG1 ILE X 53 88.124 4.334 -2.041 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.188 2.581 -0.254 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.463 3.384 -3.186 1.00 1.00 C ATOM 0 H ILE X 53 90.056 6.004 -0.818 1.00 1.00 H new ATOM 0 HA ILE X 53 87.582 5.267 0.308 1.00 1.00 H new ATOM 0 HB ILE X 53 89.873 3.708 -0.959 1.00 1.00 H new ATOM 0 HG12 ILE X 53 87.045 4.365 -1.891 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.440 5.347 -2.293 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.316 1.799 -1.003 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.675 2.279 0.673 1.00 1.00 H new ATOM 0 HG23 ILE X 53 87.125 2.738 -0.071 1.00 1.00 H new ATOM 0 HD11 ILE X 53 87.965 3.719 -4.096 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.541 3.375 -3.344 1.00 1.00 H new ATOM 0 HD13 ILE X 53 88.125 2.378 -2.937 1.00 1.00 H new ATOM 886 N LYS X 54 90.114 4.818 2.202 1.00 1.00 N ATOM 887 CA LYS X 54 90.546 4.347 3.511 1.00 1.00 C ATOM 888 C LYS X 54 89.498 4.674 4.563 1.00 1.00 C ATOM 889 O LYS X 54 89.163 3.836 5.395 1.00 1.00 O ATOM 890 CB LYS X 54 91.871 5.005 3.890 1.00 1.00 C ATOM 891 CG LYS X 54 92.378 4.429 5.215 1.00 1.00 C ATOM 892 CD LYS X 54 93.725 5.063 5.564 1.00 1.00 C ATOM 893 CE LYS X 54 94.239 4.473 6.879 1.00 1.00 C ATOM 894 NZ LYS X 54 95.542 5.105 7.232 1.00 1.00 N ATOM 0 H LYS X 54 90.751 5.475 1.751 1.00 1.00 H new ATOM 0 HA LYS X 54 90.678 3.266 3.465 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.608 4.837 3.105 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.739 6.083 3.979 1.00 1.00 H new ATOM 0 HG2 LYS X 54 91.656 4.623 6.008 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.483 3.347 5.137 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.443 4.880 4.765 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.618 6.144 5.655 1.00 1.00 H new ATOM 0 HE2 LYS X 54 93.513 4.643 7.674 1.00 1.00 H new ATOM 0 HE3 LYS X 54 94.360 3.394 6.783 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 95.891 4.704 8.126 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.233 4.921 6.477 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 95.412 6.131 7.340 1.00 1.00 H new ATOM 908 N ARG X 55 88.988 5.896 4.517 1.00 1.00 N ATOM 909 CA ARG X 55 87.980 6.326 5.472 1.00 1.00 C ATOM 910 C ARG X 55 86.714 5.490 5.333 1.00 1.00 C ATOM 911 O ARG X 55 86.017 5.238 6.318 1.00 1.00 O ATOM 912 CB ARG X 55 87.636 7.802 5.250 1.00 1.00 C ATOM 913 CG ARG X 55 88.828 8.670 5.655 1.00 1.00 C ATOM 914 CD ARG X 55 88.502 10.143 5.394 1.00 1.00 C ATOM 915 NE ARG X 55 89.624 10.986 5.794 1.00 1.00 N ATOM 916 CZ ARG X 55 89.659 12.278 5.484 1.00 1.00 C ATOM 917 NH1 ARG X 55 88.682 12.812 4.805 1.00 1.00 N ATOM 918 NH2 ARG X 55 90.670 13.011 5.860 1.00 1.00 N ATOM 0 H ARG X 55 89.254 6.603 3.832 1.00 1.00 H new ATOM 0 HA ARG X 55 88.386 6.192 6.475 1.00 1.00 H new ATOM 0 HB2 ARG X 55 87.386 7.975 4.203 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.758 8.074 5.837 1.00 1.00 H new ATOM 0 HG2 ARG X 55 89.059 8.519 6.710 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.713 8.377 5.090 1.00 1.00 H new ATOM 0 HD2 ARG X 55 88.284 10.293 4.337 1.00 1.00 H new ATOM 0 HD3 ARG X 55 87.608 10.429 5.948 1.00 1.00 H new ATOM 0 HE ARG X 55 90.395 10.576 6.321 1.00 1.00 H new ATOM 0 HH11 ARG X 55 87.891 12.238 4.512 1.00 1.00 H new ATOM 0 HH12 ARG X 55 88.709 13.803 4.567 1.00 1.00 H new ATOM 0 HH21 ARG X 55 91.433 12.593 6.392 1.00 1.00 H new ATOM 0 HH22 ARG X 55 90.697 14.003 5.622 1.00 1.00 H new ATOM 932 N TRP X 56 86.405 5.072 4.109 1.00 1.00 N ATOM 933 CA TRP X 56 85.199 4.288 3.882 1.00 1.00 C ATOM 934 C TRP X 56 85.292 2.956 4.624 1.00 1.00 C ATOM 935 O TRP X 56 84.421 2.600 5.421 1.00 1.00 O ATOM 936 CB TRP X 56 85.010 4.047 2.370 1.00 1.00 C ATOM 937 CG TRP X 56 83.852 3.124 2.120 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.859 2.880 3.007 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.549 2.329 0.937 1.00 1.00 C ATOM 940 NE1 TRP X 56 81.968 1.985 2.444 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.348 1.616 1.169 1.00 1.00 C ATOM 942 CE3 TRP X 56 84.192 2.158 -0.302 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.806 0.764 0.206 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.649 1.301 -1.273 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.458 0.606 -1.020 1.00 1.00 C ATOM 0 H TRP X 56 86.962 5.259 3.275 1.00 1.00 H new ATOM 0 HA TRP X 56 84.338 4.838 4.262 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.840 4.997 1.864 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.920 3.620 1.948 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.776 3.313 3.993 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.131 1.639 2.914 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.109 2.689 -0.508 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.889 0.230 0.407 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 84.152 1.177 -2.221 1.00 1.00 H new ATOM 0 HH2 TRP X 56 82.045 -0.051 -1.771 1.00 1.00 H new ATOM 956 N ARG X 57 86.368 2.235 4.373 1.00 1.00 N ATOM 957 CA ARG X 57 86.580 0.955 5.022 1.00 1.00 C ATOM 958 C ARG X 57 86.865 1.147 6.503 1.00 1.00 C ATOM 959 O ARG X 57 86.633 0.249 7.305 1.00 1.00 O ATOM 960 CB ARG X 57 87.733 0.208 4.358 1.00 1.00 C ATOM 961 CG ARG X 57 87.224 -0.497 3.097 1.00 1.00 C ATOM 962 CD ARG X 57 86.705 0.538 2.104 1.00 1.00 C ATOM 963 NE ARG X 57 86.639 -0.044 0.767 1.00 1.00 N ATOM 964 CZ ARG X 57 85.558 -0.686 0.340 1.00 1.00 C ATOM 965 NH1 ARG X 57 84.526 -0.820 1.128 1.00 1.00 N ATOM 966 NH2 ARG X 57 85.527 -1.183 -0.866 1.00 1.00 N ATOM 0 H ARG X 57 87.107 2.512 3.727 1.00 1.00 H new ATOM 0 HA ARG X 57 85.671 0.363 4.918 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.532 0.904 4.101 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.155 -0.521 5.050 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.027 -1.079 2.644 1.00 1.00 H new ATOM 0 HG3 ARG X 57 86.430 -1.197 3.356 1.00 1.00 H new ATOM 0 HD2 ARG X 57 85.717 0.883 2.409 1.00 1.00 H new ATOM 0 HD3 ARG X 57 87.360 1.410 2.099 1.00 1.00 H new ATOM 0 HE ARG X 57 87.443 0.045 0.146 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.550 -0.432 2.071 1.00 1.00 H new ATOM 0 HH12 ARG X 57 83.695 -1.313 0.801 1.00 1.00 H new ATOM 0 HH21 ARG X 57 86.334 -1.079 -1.482 1.00 1.00 H new ATOM 0 HH22 ARG X 57 84.696 -1.676 -1.193 1.00 1.00 H new ATOM 980 N ARG X 58 87.391 2.311 6.858 1.00 1.00 N ATOM 981 CA ARG X 58 87.721 2.588 8.248 1.00 1.00 C ATOM 982 C ARG X 58 86.483 2.443 9.127 1.00 1.00 C ATOM 983 O ARG X 58 86.524 1.793 10.171 1.00 1.00 O ATOM 984 CB ARG X 58 88.257 4.015 8.371 1.00 1.00 C ATOM 985 CG ARG X 58 88.739 4.275 9.797 1.00 1.00 C ATOM 986 CD ARG X 58 89.208 5.721 9.901 1.00 1.00 C ATOM 987 NE ARG X 58 89.937 5.914 11.156 1.00 1.00 N ATOM 988 CZ ARG X 58 89.298 6.161 12.294 1.00 1.00 C ATOM 989 NH1 ARG X 58 87.996 6.253 12.305 1.00 1.00 N ATOM 990 NH2 ARG X 58 89.972 6.311 13.401 1.00 1.00 N ATOM 0 H ARG X 58 87.597 3.071 6.210 1.00 1.00 H new ATOM 0 HA ARG X 58 88.478 1.876 8.576 1.00 1.00 H new ATOM 0 HB2 ARG X 58 89.077 4.165 7.669 1.00 1.00 H new ATOM 0 HB3 ARG X 58 87.477 4.729 8.107 1.00 1.00 H new ATOM 0 HG2 ARG X 58 87.934 4.087 10.508 1.00 1.00 H new ATOM 0 HG3 ARG X 58 89.553 3.595 10.050 1.00 1.00 H new ATOM 0 HD2 ARG X 58 89.850 5.967 9.055 1.00 1.00 H new ATOM 0 HD3 ARG X 58 88.352 6.395 9.859 1.00 1.00 H new ATOM 0 HE ARG X 58 90.955 5.858 11.156 1.00 1.00 H new ATOM 0 HH11 ARG X 58 87.469 6.135 11.440 1.00 1.00 H new ATOM 0 HH12 ARG X 58 87.506 6.443 13.179 1.00 1.00 H new ATOM 0 HH21 ARG X 58 90.989 6.239 13.392 1.00 1.00 H new ATOM 0 HH22 ARG X 58 89.482 6.501 14.275 1.00 1.00 H new ATOM 1004 N VAL X 59 85.382 3.050 8.695 1.00 1.00 N ATOM 1005 CA VAL X 59 84.138 2.977 9.452 1.00 1.00 C ATOM 1006 C VAL X 59 83.573 1.567 9.406 1.00 1.00 C ATOM 1007 O VAL X 59 83.107 1.042 10.415 1.00 1.00 O ATOM 1008 CB VAL X 59 83.113 3.956 8.876 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.805 3.863 9.665 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.658 5.376 8.976 1.00 1.00 C ATOM 0 H VAL X 59 85.326 3.593 7.833 1.00 1.00 H new ATOM 0 HA VAL X 59 84.349 3.243 10.488 1.00 1.00 H new ATOM 0 HB VAL X 59 82.925 3.704 7.832 1.00 1.00 H new ATOM 0 HG11 VAL X 59 81.079 4.562 9.250 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.411 2.849 9.598 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.992 4.111 10.710 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.929 6.075 8.566 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.847 5.620 10.021 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.588 5.449 8.412 1.00 1.00 H new ATOM 1020 N GLY X 60 83.601 0.966 8.223 1.00 1.00 N ATOM 1021 CA GLY X 60 83.066 -0.376 8.054 1.00 1.00 C ATOM 1022 C GLY X 60 83.815 -1.381 8.919 1.00 1.00 C ATOM 1023 O GLY X 60 83.196 -2.161 9.622 1.00 1.00 O ATOM 0 H GLY X 60 83.985 1.383 7.375 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.008 -0.384 8.316 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.137 -0.669 7.007 1.00 1.00 H new ATOM 1027 N ASP X 61 85.143 -1.355 8.870 1.00 1.00 N ATOM 1028 CA ASP X 61 85.945 -2.268 9.669 1.00 1.00 C ATOM 1029 C ASP X 61 85.632 -2.096 11.153 1.00 1.00 C ATOM 1030 O ASP X 61 85.521 -3.075 11.893 1.00 1.00 O ATOM 1031 CB ASP X 61 87.433 -1.984 9.415 1.00 1.00 C ATOM 1032 CG ASP X 61 87.921 -2.729 8.170 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.178 -3.556 7.667 1.00 1.00 O ATOM 1034 OD2 ASP X 61 89.030 -2.457 7.740 1.00 1.00 O ATOM 0 H ASP X 61 85.682 -0.714 8.288 1.00 1.00 H new ATOM 0 HA ASP X 61 85.710 -3.293 9.384 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.587 -0.913 9.288 1.00 1.00 H new ATOM 0 HB3 ASP X 61 88.020 -2.290 10.281 1.00 1.00 H new ATOM 1039 N CYS X 62 85.482 -0.850 11.588 1.00 1.00 N ATOM 1040 CA CYS X 62 85.179 -0.589 12.995 1.00 1.00 C ATOM 1041 C CYS X 62 83.777 -1.076 13.358 1.00 1.00 C ATOM 1042 O CYS X 62 83.594 -1.897 14.271 1.00 1.00 O ATOM 1043 CB CYS X 62 85.282 0.913 13.269 1.00 1.00 C ATOM 1044 SG CYS X 62 87.024 1.407 13.293 1.00 1.00 S ATOM 0 H CYS X 62 85.563 -0.019 11.003 1.00 1.00 H new ATOM 0 HA CYS X 62 85.900 -1.132 13.606 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.746 1.471 12.501 1.00 1.00 H new ATOM 0 HB3 CYS X 62 84.812 1.152 14.223 1.00 1.00 H new ATOM 0 HG CYS X 62 87.404 1.717 12.089 1.00 1.00 H new ATOM 1050 N PHE X 63 82.788 -0.572 12.636 1.00 1.00 N ATOM 1051 CA PHE X 63 81.411 -0.955 12.892 1.00 1.00 C ATOM 1052 C PHE X 63 81.226 -2.451 12.693 1.00 1.00 C ATOM 1053 O PHE X 63 80.495 -3.091 13.438 1.00 1.00 O ATOM 1054 CB PHE X 63 80.460 -0.197 11.963 1.00 1.00 C ATOM 1055 CG PHE X 63 79.696 0.844 12.753 1.00 1.00 C ATOM 1056 CD1 PHE X 63 78.848 0.442 13.792 1.00 1.00 C ATOM 1057 CD2 PHE X 63 79.834 2.203 12.450 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.138 1.398 14.526 1.00 1.00 C ATOM 1059 CE2 PHE X 63 79.123 3.160 13.183 1.00 1.00 C ATOM 1060 CZ PHE X 63 78.275 2.758 14.222 1.00 1.00 C ATOM 0 H PHE X 63 82.912 0.097 11.876 1.00 1.00 H new ATOM 0 HA PHE X 63 81.179 -0.701 13.926 1.00 1.00 H new ATOM 0 HB2 PHE X 63 81.023 0.282 11.162 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.765 -0.892 11.492 1.00 1.00 H new ATOM 0 HD1 PHE X 63 78.742 -0.607 14.027 1.00 1.00 H new ATOM 0 HD2 PHE X 63 80.490 2.514 11.650 1.00 1.00 H new ATOM 0 HE1 PHE X 63 77.484 1.087 15.327 1.00 1.00 H new ATOM 0 HE2 PHE X 63 79.228 4.209 12.947 1.00 1.00 H new ATOM 0 HZ PHE X 63 77.727 3.496 14.789 1.00 1.00 H new ATOM 1070 N GLN X 64 81.899 -2.996 11.687 1.00 1.00 N ATOM 1071 CA GLN X 64 81.813 -4.418 11.386 1.00 1.00 C ATOM 1072 C GLN X 64 82.234 -5.247 12.587 1.00 1.00 C ATOM 1073 O GLN X 64 81.684 -6.315 12.831 1.00 1.00 O ATOM 1074 CB GLN X 64 82.726 -4.759 10.201 1.00 1.00 C ATOM 1075 CG GLN X 64 82.939 -6.271 10.130 1.00 1.00 C ATOM 1076 CD GLN X 64 84.128 -6.664 11.001 1.00 1.00 C ATOM 1077 OE1 GLN X 64 83.959 -7.366 11.999 1.00 1.00 O ATOM 1078 NE2 GLN X 64 85.324 -6.252 10.684 1.00 1.00 N ATOM 0 H GLN X 64 82.513 -2.471 11.064 1.00 1.00 H new ATOM 0 HA GLN X 64 80.778 -4.650 11.136 1.00 1.00 H new ATOM 0 HB2 GLN X 64 82.281 -4.401 9.273 1.00 1.00 H new ATOM 0 HB3 GLN X 64 83.685 -4.252 10.311 1.00 1.00 H new ATOM 0 HG2 GLN X 64 82.042 -6.791 10.467 1.00 1.00 H new ATOM 0 HG3 GLN X 64 83.115 -6.575 9.098 1.00 1.00 H new ATOM 0 HE21 GLN X 64 85.461 -5.671 9.857 1.00 1.00 H new ATOM 0 HE22 GLN X 64 86.123 -6.511 11.263 1.00 1.00 H new ATOM 1087 N ASP X 65 83.222 -4.760 13.325 1.00 1.00 N ATOM 1088 CA ASP X 65 83.712 -5.491 14.486 1.00 1.00 C ATOM 1089 C ASP X 65 82.614 -5.622 15.528 1.00 1.00 C ATOM 1090 O ASP X 65 82.403 -6.694 16.096 1.00 1.00 O ATOM 1091 CB ASP X 65 84.915 -4.768 15.087 1.00 1.00 C ATOM 1092 CG ASP X 65 85.582 -5.646 16.141 1.00 1.00 C ATOM 1093 OD1 ASP X 65 84.919 -6.534 16.653 1.00 1.00 O ATOM 1094 OD2 ASP X 65 86.748 -5.417 16.421 1.00 1.00 O ATOM 0 H ASP X 65 83.695 -3.874 13.145 1.00 1.00 H new ATOM 0 HA ASP X 65 84.016 -6.489 14.169 1.00 1.00 H new ATOM 0 HB2 ASP X 65 85.630 -4.522 14.302 1.00 1.00 H new ATOM 0 HB3 ASP X 65 84.597 -3.827 15.535 1.00 1.00 H new ATOM 1099 N TYR X 66 81.914 -4.525 15.771 1.00 1.00 N ATOM 1100 CA TYR X 66 80.828 -4.531 16.744 1.00 1.00 C ATOM 1101 C TYR X 66 79.573 -5.193 16.174 1.00 1.00 C ATOM 1102 O TYR X 66 78.840 -5.876 16.890 1.00 1.00 O ATOM 1103 CB TYR X 66 80.527 -3.101 17.187 1.00 1.00 C ATOM 1104 CG TYR X 66 79.088 -3.002 17.622 1.00 1.00 C ATOM 1105 CD1 TYR X 66 78.609 -3.806 18.663 1.00 1.00 C ATOM 1106 CD2 TYR X 66 78.226 -2.107 16.977 1.00 1.00 C ATOM 1107 CE1 TYR X 66 77.269 -3.715 19.059 1.00 1.00 C ATOM 1108 CE2 TYR X 66 76.887 -2.015 17.372 1.00 1.00 C ATOM 1109 CZ TYR X 66 76.408 -2.819 18.414 1.00 1.00 C ATOM 1110 OH TYR X 66 75.085 -2.732 18.802 1.00 1.00 O ATOM 0 H TYR X 66 82.074 -3.627 15.314 1.00 1.00 H new ATOM 0 HA TYR X 66 81.143 -5.116 17.608 1.00 1.00 H new ATOM 0 HB2 TYR X 66 81.186 -2.817 18.007 1.00 1.00 H new ATOM 0 HB3 TYR X 66 80.719 -2.407 16.368 1.00 1.00 H new ATOM 0 HD1 TYR X 66 79.273 -4.497 19.161 1.00 1.00 H new ATOM 0 HD2 TYR X 66 78.595 -1.487 16.174 1.00 1.00 H new ATOM 0 HE1 TYR X 66 76.900 -4.336 19.862 1.00 1.00 H new ATOM 0 HE2 TYR X 66 76.223 -1.324 16.874 1.00 1.00 H new ATOM 0 HH TYR X 66 74.627 -2.062 18.253 1.00 1.00 H new ATOM 1120 N TYR X 67 79.323 -4.980 14.885 1.00 1.00 N ATOM 1121 CA TYR X 67 78.151 -5.558 14.231 1.00 1.00 C ATOM 1122 C TYR X 67 78.266 -7.078 14.135 1.00 1.00 C ATOM 1123 O TYR X 67 77.333 -7.803 14.481 1.00 1.00 O ATOM 1124 CB TYR X 67 77.993 -4.967 12.826 1.00 1.00 C ATOM 1125 CG TYR X 67 76.901 -3.923 12.828 1.00 1.00 C ATOM 1126 CD1 TYR X 67 76.880 -2.931 13.817 1.00 1.00 C ATOM 1127 CD2 TYR X 67 75.905 -3.952 11.845 1.00 1.00 C ATOM 1128 CE1 TYR X 67 75.863 -1.970 13.822 1.00 1.00 C ATOM 1129 CE2 TYR X 67 74.887 -2.990 11.851 1.00 1.00 C ATOM 1130 CZ TYR X 67 74.866 -1.999 12.839 1.00 1.00 C ATOM 1131 OH TYR X 67 73.866 -1.048 12.843 1.00 1.00 O ATOM 0 H TYR X 67 79.913 -4.414 14.274 1.00 1.00 H new ATOM 0 HA TYR X 67 77.275 -5.316 14.833 1.00 1.00 H new ATOM 0 HB2 TYR X 67 78.933 -4.522 12.501 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.752 -5.757 12.115 1.00 1.00 H new ATOM 0 HD1 TYR X 67 77.649 -2.908 14.575 1.00 1.00 H new ATOM 0 HD2 TYR X 67 75.921 -4.716 11.082 1.00 1.00 H new ATOM 0 HE1 TYR X 67 75.847 -1.205 14.585 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.118 -3.013 11.093 1.00 1.00 H new ATOM 0 HH TYR X 67 73.256 -1.211 12.093 1.00 1.00 H new ATOM 1141 N ASN X 68 79.411 -7.554 13.658 1.00 1.00 N ATOM 1142 CA ASN X 68 79.636 -8.985 13.514 1.00 1.00 C ATOM 1143 C ASN X 68 79.667 -9.672 14.874 1.00 1.00 C ATOM 1144 O ASN X 68 79.128 -10.766 15.038 1.00 1.00 O ATOM 1145 CB ASN X 68 80.959 -9.231 12.793 1.00 1.00 C ATOM 1146 CG ASN X 68 80.802 -8.943 11.303 1.00 1.00 C ATOM 1147 OD1 ASN X 68 81.530 -9.501 10.482 1.00 1.00 O ATOM 1148 ND2 ASN X 68 79.891 -8.099 10.904 1.00 1.00 N ATOM 0 H ASN X 68 80.195 -6.971 13.366 1.00 1.00 H new ATOM 0 HA ASN X 68 78.814 -9.401 12.932 1.00 1.00 H new ATOM 0 HB2 ASN X 68 81.737 -8.594 13.215 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.277 -10.263 12.941 1.00 1.00 H new ATOM 0 HD21 ASN X 68 79.781 -7.900 9.910 1.00 1.00 H new ATOM 0 HD22 ASN X 68 79.289 -7.638 11.586 1.00 1.00 H new ATOM 1155 N THR X 69 80.312 -9.029 15.845 1.00 1.00 N ATOM 1156 CA THR X 69 80.415 -9.601 17.183 1.00 1.00 C ATOM 1157 C THR X 69 79.030 -9.799 17.780 1.00 1.00 C ATOM 1158 O THR X 69 78.713 -10.870 18.295 1.00 1.00 O ATOM 1159 CB THR X 69 81.233 -8.672 18.084 1.00 1.00 C ATOM 1160 OG1 THR X 69 82.553 -8.556 17.569 1.00 1.00 O ATOM 1161 CG2 THR X 69 81.283 -9.243 19.500 1.00 1.00 C ATOM 0 H THR X 69 80.766 -8.123 15.732 1.00 1.00 H new ATOM 0 HA THR X 69 80.912 -10.568 17.112 1.00 1.00 H new ATOM 0 HB THR X 69 80.766 -7.688 18.110 1.00 1.00 H new ATOM 0 HG1 THR X 69 82.734 -7.620 17.341 1.00 1.00 H new ATOM 0 HG21 THR X 69 81.866 -8.580 20.139 1.00 1.00 H new ATOM 0 HG22 THR X 69 80.270 -9.329 19.894 1.00 1.00 H new ATOM 0 HG23 THR X 69 81.749 -10.228 19.479 1.00 1.00 H new ATOM 1169 N PHE X 70 78.204 -8.767 17.697 1.00 1.00 N ATOM 1170 CA PHE X 70 76.849 -8.852 18.222 1.00 1.00 C ATOM 1171 C PHE X 70 76.015 -9.848 17.418 1.00 1.00 C ATOM 1172 O PHE X 70 75.203 -10.585 17.979 1.00 1.00 O ATOM 1173 CB PHE X 70 76.182 -7.478 18.186 1.00 1.00 C ATOM 1174 CG PHE X 70 76.264 -6.843 19.555 1.00 1.00 C ATOM 1175 CD1 PHE X 70 77.477 -6.831 20.253 1.00 1.00 C ATOM 1176 CD2 PHE X 70 75.122 -6.268 20.125 1.00 1.00 C ATOM 1177 CE1 PHE X 70 77.547 -6.244 21.522 1.00 1.00 C ATOM 1178 CE2 PHE X 70 75.193 -5.682 21.394 1.00 1.00 C ATOM 1179 CZ PHE X 70 76.406 -5.670 22.093 1.00 1.00 C ATOM 0 H PHE X 70 78.444 -7.870 17.276 1.00 1.00 H new ATOM 0 HA PHE X 70 76.908 -9.199 19.254 1.00 1.00 H new ATOM 0 HB2 PHE X 70 76.673 -6.843 17.449 1.00 1.00 H new ATOM 0 HB3 PHE X 70 75.140 -7.575 17.880 1.00 1.00 H new ATOM 0 HD1 PHE X 70 78.358 -7.274 19.813 1.00 1.00 H new ATOM 0 HD2 PHE X 70 74.186 -6.277 19.586 1.00 1.00 H new ATOM 0 HE1 PHE X 70 78.483 -6.234 22.061 1.00 1.00 H new ATOM 0 HE2 PHE X 70 74.312 -5.239 21.834 1.00 1.00 H new ATOM 0 HZ PHE X 70 76.461 -5.218 23.072 1.00 1.00 H new ATOM 1189 N GLY X 71 76.202 -9.852 16.101 1.00 1.00 N ATOM 1190 CA GLY X 71 75.442 -10.743 15.234 1.00 1.00 C ATOM 1191 C GLY X 71 75.357 -10.173 13.820 1.00 1.00 C ATOM 1192 O GLY X 71 75.739 -10.832 12.854 1.00 1.00 O ATOM 0 H GLY X 71 76.869 -9.252 15.615 1.00 1.00 H new ATOM 0 HA2 GLY X 71 75.915 -11.725 15.208 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.439 -10.883 15.637 1.00 1.00 H new ATOM 1196 N PRO X 72 74.867 -8.962 13.681 1.00 1.00 N ATOM 1197 CA PRO X 72 74.740 -8.298 12.353 1.00 1.00 C ATOM 1198 C PRO X 72 75.960 -8.529 11.472 1.00 1.00 C ATOM 1199 O PRO X 72 76.987 -7.870 11.616 1.00 1.00 O ATOM 1200 CB PRO X 72 74.590 -6.822 12.709 1.00 1.00 C ATOM 1201 CG PRO X 72 73.990 -6.790 14.076 1.00 1.00 C ATOM 1202 CD PRO X 72 74.381 -8.091 14.773 1.00 1.00 C ATOM 0 HA PRO X 72 73.904 -8.691 11.774 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.556 -6.317 12.694 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.951 -6.310 11.990 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.355 -5.929 14.636 1.00 1.00 H new ATOM 0 HG3 PRO X 72 72.906 -6.696 14.018 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.155 -7.923 15.522 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.530 -8.537 15.288 1.00 1.00 H new ATOM 1210 N GLU X 73 75.832 -9.473 10.555 1.00 1.00 N ATOM 1211 CA GLU X 73 76.915 -9.801 9.640 1.00 1.00 C ATOM 1212 C GLU X 73 76.819 -8.971 8.363 1.00 1.00 C ATOM 1213 O GLU X 73 77.570 -9.200 7.419 1.00 1.00 O ATOM 1214 CB GLU X 73 76.884 -11.291 9.303 1.00 1.00 C ATOM 1215 CG GLU X 73 75.606 -11.628 8.526 1.00 1.00 C ATOM 1216 CD GLU X 73 75.514 -13.131 8.294 1.00 1.00 C ATOM 1217 OE1 GLU X 73 76.544 -13.741 8.054 1.00 1.00 O ATOM 1218 OE2 GLU X 73 74.412 -13.650 8.359 1.00 1.00 O ATOM 0 H GLU X 73 74.986 -10.028 10.423 1.00 1.00 H new ATOM 0 HA GLU X 73 77.860 -9.566 10.130 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.760 -11.556 8.711 1.00 1.00 H new ATOM 0 HB3 GLU X 73 76.928 -11.880 10.219 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.733 -11.284 9.080 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.604 -11.104 7.570 1.00 1.00 H new ATOM 1225 N LYS X 74 75.875 -8.027 8.336 1.00 1.00 N ATOM 1226 CA LYS X 74 75.671 -7.185 7.157 1.00 1.00 C ATOM 1227 C LYS X 74 76.999 -6.866 6.486 1.00 1.00 C ATOM 1228 O LYS X 74 77.114 -6.948 5.264 1.00 1.00 O ATOM 1229 CB LYS X 74 74.963 -5.887 7.567 1.00 1.00 C ATOM 1230 CG LYS X 74 74.844 -4.951 6.358 1.00 1.00 C ATOM 1231 CD LYS X 74 74.112 -3.678 6.766 1.00 1.00 C ATOM 1232 CE LYS X 74 74.096 -2.721 5.579 1.00 1.00 C ATOM 1233 NZ LYS X 74 73.375 -1.476 5.958 1.00 1.00 N ATOM 0 H LYS X 74 75.244 -7.828 9.112 1.00 1.00 H new ATOM 0 HA LYS X 74 75.050 -7.727 6.444 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.972 -6.112 7.962 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.520 -5.395 8.365 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.835 -4.706 5.976 1.00 1.00 H new ATOM 0 HG3 LYS X 74 74.306 -5.449 5.551 1.00 1.00 H new ATOM 0 HD2 LYS X 74 73.094 -3.911 7.077 1.00 1.00 H new ATOM 0 HD3 LYS X 74 74.608 -3.214 7.619 1.00 1.00 H new ATOM 0 HE2 LYS X 74 75.116 -2.485 5.274 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.608 -3.191 4.725 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 73.535 -0.748 5.233 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 72.357 -1.673 6.032 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 73.729 -1.135 6.875 1.00 1.00 H new ATOM 1247 N VAL X 75 77.991 -6.504 7.289 1.00 1.00 N ATOM 1248 CA VAL X 75 79.309 -6.187 6.766 1.00 1.00 C ATOM 1249 C VAL X 75 80.346 -7.167 7.320 1.00 1.00 C ATOM 1250 O VAL X 75 80.967 -6.896 8.346 1.00 1.00 O ATOM 1251 CB VAL X 75 79.693 -4.762 7.148 1.00 1.00 C ATOM 1252 CG1 VAL X 75 79.115 -3.800 6.115 1.00 1.00 C ATOM 1253 CG2 VAL X 75 79.148 -4.425 8.535 1.00 1.00 C ATOM 0 H VAL X 75 77.906 -6.423 8.302 1.00 1.00 H new ATOM 0 HA VAL X 75 79.284 -6.272 5.680 1.00 1.00 H new ATOM 0 HB VAL X 75 80.779 -4.670 7.170 1.00 1.00 H new ATOM 0 HG11 VAL X 75 79.384 -2.777 6.379 1.00 1.00 H new ATOM 0 HG12 VAL X 75 79.518 -4.038 5.131 1.00 1.00 H new ATOM 0 HG13 VAL X 75 78.029 -3.896 6.096 1.00 1.00 H new ATOM 0 HG21 VAL X 75 79.428 -3.405 8.798 1.00 1.00 H new ATOM 0 HG22 VAL X 75 78.062 -4.513 8.530 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.565 -5.116 9.268 1.00 1.00 H new ATOM 1263 N PRO X 76 80.541 -8.293 6.668 1.00 1.00 N ATOM 1264 CA PRO X 76 81.531 -9.326 7.108 1.00 1.00 C ATOM 1265 C PRO X 76 82.954 -8.779 7.155 1.00 1.00 C ATOM 1266 O PRO X 76 83.302 -7.859 6.414 1.00 1.00 O ATOM 1267 CB PRO X 76 81.414 -10.437 6.055 1.00 1.00 C ATOM 1268 CG PRO X 76 80.104 -10.212 5.380 1.00 1.00 C ATOM 1269 CD PRO X 76 79.838 -8.714 5.449 1.00 1.00 C ATOM 0 HA PRO X 76 81.323 -9.673 8.120 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.236 -10.389 5.341 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.452 -11.423 6.519 1.00 1.00 H new ATOM 0 HG2 PRO X 76 80.136 -10.554 4.345 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.310 -10.771 5.876 1.00 1.00 H new ATOM 0 HD2 PRO X 76 80.220 -8.198 4.568 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.771 -8.499 5.507 1.00 1.00 H new ATOM 1277 N VAL X 77 83.764 -9.343 8.042 1.00 1.00 N ATOM 1278 CA VAL X 77 85.145 -8.904 8.197 1.00 1.00 C ATOM 1279 C VAL X 77 85.946 -9.196 6.930 1.00 1.00 C ATOM 1280 O VAL X 77 86.895 -8.484 6.606 1.00 1.00 O ATOM 1281 CB VAL X 77 85.796 -9.609 9.394 1.00 1.00 C ATOM 1282 CG1 VAL X 77 84.755 -9.861 10.492 1.00 1.00 C ATOM 1283 CG2 VAL X 77 86.394 -10.949 8.952 1.00 1.00 C ATOM 0 H VAL X 77 83.489 -10.104 8.664 1.00 1.00 H new ATOM 0 HA VAL X 77 85.144 -7.828 8.373 1.00 1.00 H new ATOM 0 HB VAL X 77 86.586 -8.967 9.785 1.00 1.00 H new ATOM 0 HG11 VAL X 77 85.230 -10.362 11.336 1.00 1.00 H new ATOM 0 HG12 VAL X 77 84.338 -8.910 10.823 1.00 1.00 H new ATOM 0 HG13 VAL X 77 83.957 -10.491 10.099 1.00 1.00 H new ATOM 0 HG21 VAL X 77 86.854 -11.442 9.808 1.00 1.00 H new ATOM 0 HG22 VAL X 77 85.605 -11.584 8.548 1.00 1.00 H new ATOM 0 HG23 VAL X 77 87.149 -10.775 8.185 1.00 1.00 H new ATOM 1293 N THR X 78 85.561 -10.257 6.227 1.00 1.00 N ATOM 1294 CA THR X 78 86.255 -10.648 5.005 1.00 1.00 C ATOM 1295 C THR X 78 86.489 -9.436 4.113 1.00 1.00 C ATOM 1296 O THR X 78 87.351 -9.452 3.230 1.00 1.00 O ATOM 1297 CB THR X 78 85.429 -11.692 4.251 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.135 -11.165 3.989 1.00 1.00 O ATOM 1299 CG2 THR X 78 85.303 -12.960 5.098 1.00 1.00 C ATOM 0 H THR X 78 84.777 -10.858 6.481 1.00 1.00 H new ATOM 0 HA THR X 78 87.221 -11.075 5.275 1.00 1.00 H new ATOM 0 HB THR X 78 85.923 -11.937 3.311 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.603 -11.830 3.504 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.714 -13.701 4.558 1.00 1.00 H new ATOM 0 HG22 THR X 78 86.296 -13.362 5.300 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.809 -12.721 6.040 1.00 1.00 H new ATOM 1307 N ALA X 79 85.718 -8.384 4.351 1.00 1.00 N ATOM 1308 CA ALA X 79 85.849 -7.165 3.565 1.00 1.00 C ATOM 1309 C ALA X 79 87.235 -6.561 3.738 1.00 1.00 C ATOM 1310 O ALA X 79 87.745 -5.891 2.841 1.00 1.00 O ATOM 1311 CB ALA X 79 84.797 -6.147 3.994 1.00 1.00 C ATOM 0 H ALA X 79 85.001 -8.349 5.076 1.00 1.00 H new ATOM 0 HA ALA X 79 85.702 -7.420 2.516 1.00 1.00 H new ATOM 0 HB1 ALA X 79 84.905 -5.240 3.399 1.00 1.00 H new ATOM 0 HB2 ALA X 79 83.802 -6.565 3.841 1.00 1.00 H new ATOM 0 HB3 ALA X 79 84.931 -5.908 5.049 1.00 1.00 H new ATOM 1317 N PHE X 80 87.840 -6.791 4.897 1.00 1.00 N ATOM 1318 CA PHE X 80 89.164 -6.250 5.163 1.00 1.00 C ATOM 1319 C PHE X 80 90.177 -6.763 4.136 1.00 1.00 C ATOM 1320 O PHE X 80 90.939 -5.989 3.557 1.00 1.00 O ATOM 1321 CB PHE X 80 89.600 -6.642 6.574 1.00 1.00 C ATOM 1322 CG PHE X 80 90.990 -6.120 6.835 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.108 -6.782 6.313 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.158 -4.963 7.606 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.393 -6.287 6.561 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.444 -4.468 7.854 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.562 -5.130 7.331 1.00 1.00 C ATOM 0 H PHE X 80 87.440 -7.341 5.657 1.00 1.00 H new ATOM 0 HA PHE X 80 89.122 -5.164 5.084 1.00 1.00 H new ATOM 0 HB2 PHE X 80 88.904 -6.235 7.307 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.581 -7.726 6.684 1.00 1.00 H new ATOM 0 HD1 PHE X 80 91.978 -7.675 5.719 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.296 -4.453 8.009 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.255 -6.798 6.158 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.574 -3.576 8.449 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.554 -4.748 7.522 1.00 1.00 H new ATOM 1337 N SER X 81 90.184 -8.070 3.909 1.00 1.00 N ATOM 1338 CA SER X 81 91.111 -8.659 2.944 1.00 1.00 C ATOM 1339 C SER X 81 90.847 -8.095 1.543 1.00 1.00 C ATOM 1340 O SER X 81 91.770 -7.709 0.807 1.00 1.00 O ATOM 1341 CB SER X 81 90.940 -10.185 2.945 1.00 1.00 C ATOM 1342 OG SER X 81 91.222 -10.687 4.249 1.00 1.00 O ATOM 0 H SER X 81 89.568 -8.738 4.372 1.00 1.00 H new ATOM 0 HA SER X 81 92.134 -8.410 3.226 1.00 1.00 H new ATOM 0 HB2 SER X 81 89.924 -10.449 2.652 1.00 1.00 H new ATOM 0 HB3 SER X 81 91.610 -10.639 2.215 1.00 1.00 H new ATOM 0 HG SER X 81 91.113 -11.661 4.255 1.00 1.00 H new ATOM 1348 N TYR X 82 89.575 -8.022 1.193 1.00 1.00 N ATOM 1349 CA TYR X 82 89.187 -7.488 -0.097 1.00 1.00 C ATOM 1350 C TYR X 82 89.709 -6.058 -0.235 1.00 1.00 C ATOM 1351 O TYR X 82 90.210 -5.649 -1.294 1.00 1.00 O ATOM 1352 CB TYR X 82 87.653 -7.537 -0.234 1.00 1.00 C ATOM 1353 CG TYR X 82 87.162 -6.309 -0.953 1.00 1.00 C ATOM 1354 CD1 TYR X 82 87.688 -5.988 -2.209 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.201 -5.477 -0.363 1.00 1.00 C ATOM 1356 CE1 TYR X 82 87.256 -4.836 -2.877 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.769 -4.325 -1.031 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.296 -4.004 -2.288 1.00 1.00 C ATOM 1359 OH TYR X 82 85.859 -2.876 -2.950 1.00 1.00 O ATOM 0 H TYR X 82 88.798 -8.324 1.781 1.00 1.00 H new ATOM 0 HA TYR X 82 89.621 -8.089 -0.896 1.00 1.00 H new ATOM 0 HB2 TYR X 82 87.357 -8.432 -0.781 1.00 1.00 H new ATOM 0 HB3 TYR X 82 87.193 -7.600 0.752 1.00 1.00 H new ATOM 0 HD1 TYR X 82 88.428 -6.630 -2.664 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.794 -5.724 0.606 1.00 1.00 H new ATOM 0 HE1 TYR X 82 87.663 -4.589 -3.846 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.029 -3.683 -0.576 1.00 1.00 H new ATOM 0 HH TYR X 82 84.879 -2.861 -2.959 1.00 1.00 H new ATOM 1369 N TRP X 83 89.595 -5.306 0.838 1.00 1.00 N ATOM 1370 CA TRP X 83 90.058 -3.940 0.824 1.00 1.00 C ATOM 1371 C TRP X 83 91.545 -3.887 0.491 1.00 1.00 C ATOM 1372 O TRP X 83 92.019 -2.931 -0.121 1.00 1.00 O ATOM 1373 CB TRP X 83 89.794 -3.271 2.166 1.00 1.00 C ATOM 1374 CG TRP X 83 90.406 -1.907 2.168 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.369 -1.031 1.138 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.143 -1.250 3.239 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.037 0.123 1.509 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.532 0.037 2.795 1.00 1.00 C ATOM 1379 CE3 TRP X 83 91.509 -1.640 4.540 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 92.257 0.904 3.612 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 92.239 -0.769 5.366 1.00 1.00 C ATOM 1382 CH2 TRP X 83 92.612 0.501 4.902 1.00 1.00 C ATOM 0 H TRP X 83 89.190 -5.615 1.722 1.00 1.00 H new ATOM 0 HA TRP X 83 89.508 -3.399 0.054 1.00 1.00 H new ATOM 0 HB2 TRP X 83 88.721 -3.201 2.345 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.214 -3.871 2.973 1.00 1.00 H new ATOM 0 HD1 TRP X 83 89.896 -1.204 0.183 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.150 0.938 0.906 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.227 -2.616 4.907 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 92.542 1.881 3.250 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 92.514 -1.079 6.363 1.00 1.00 H new ATOM 0 HH2 TRP X 83 93.173 1.167 5.541 1.00 1.00 H new ATOM 1393 N ASN X 84 92.274 -4.916 0.902 1.00 1.00 N ATOM 1394 CA ASN X 84 93.704 -4.972 0.641 1.00 1.00 C ATOM 1395 C ASN X 84 93.952 -4.902 -0.858 1.00 1.00 C ATOM 1396 O ASN X 84 94.890 -4.240 -1.315 1.00 1.00 O ATOM 1397 CB ASN X 84 94.285 -6.276 1.172 1.00 1.00 C ATOM 1398 CG ASN X 84 95.759 -6.094 1.517 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.148 -5.074 2.085 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.609 -7.031 1.197 1.00 1.00 N ATOM 0 H ASN X 84 91.902 -5.716 1.413 1.00 1.00 H new ATOM 0 HA ASN X 84 94.183 -4.130 1.140 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.734 -6.595 2.057 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.173 -7.063 0.426 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.599 -6.919 1.418 1.00 1.00 H new ATOM 0 HD22 ASN X 84 96.284 -7.875 0.726 1.00 1.00 H new ATOM 1407 N LEU X 85 93.107 -5.583 -1.627 1.00 1.00 N ATOM 1408 CA LEU X 85 93.271 -5.565 -3.068 1.00 1.00 C ATOM 1409 C LEU X 85 93.150 -4.134 -3.573 1.00 1.00 C ATOM 1410 O LEU X 85 93.898 -3.719 -4.458 1.00 1.00 O ATOM 1411 CB LEU X 85 92.233 -6.458 -3.761 1.00 1.00 C ATOM 1412 CG LEU X 85 92.702 -7.916 -3.731 1.00 1.00 C ATOM 1413 CD1 LEU X 85 93.919 -8.108 -4.646 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.082 -8.295 -2.299 1.00 1.00 C ATOM 0 H LEU X 85 92.323 -6.139 -1.284 1.00 1.00 H new ATOM 0 HA LEU X 85 94.259 -5.958 -3.307 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.269 -6.366 -3.261 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.090 -6.133 -4.792 1.00 1.00 H new ATOM 0 HG LEU X 85 91.892 -8.554 -4.084 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.239 -9.149 -4.612 1.00 1.00 H new ATOM 0 HD12 LEU X 85 93.651 -7.844 -5.669 1.00 1.00 H new ATOM 0 HD13 LEU X 85 94.733 -7.467 -4.308 1.00 1.00 H new ATOM 0 HD21 LEU X 85 93.416 -9.332 -2.274 1.00 1.00 H new ATOM 0 HD22 LEU X 85 93.886 -7.646 -1.952 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.215 -8.177 -1.649 1.00 1.00 H new ATOM 1426 N ILE X 86 92.222 -3.371 -3.008 1.00 1.00 N ATOM 1427 CA ILE X 86 92.064 -1.987 -3.434 1.00 1.00 C ATOM 1428 C ILE X 86 93.331 -1.175 -3.133 1.00 1.00 C ATOM 1429 O ILE X 86 93.782 -0.392 -3.967 1.00 1.00 O ATOM 1430 CB ILE X 86 90.888 -1.365 -2.719 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.590 -2.026 -3.183 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.836 0.132 -3.013 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.440 -1.573 -2.286 1.00 1.00 C ATOM 0 H ILE X 86 91.583 -3.676 -2.274 1.00 1.00 H new ATOM 0 HA ILE X 86 91.890 -1.977 -4.510 1.00 1.00 H new ATOM 0 HB ILE X 86 91.004 -1.516 -1.646 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.384 -1.759 -4.220 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.688 -3.111 -3.146 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.986 0.575 -2.495 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.757 0.603 -2.668 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.728 0.288 -4.086 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.514 -2.044 -2.616 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.647 -1.862 -1.256 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.337 -0.489 -2.345 1.00 1.00 H new ATOM 1445 N LYS X 87 93.901 -1.347 -1.946 1.00 1.00 N ATOM 1446 CA LYS X 87 95.102 -0.598 -1.598 1.00 1.00 C ATOM 1447 C LYS X 87 96.122 -0.674 -2.725 1.00 1.00 C ATOM 1448 O LYS X 87 96.683 0.341 -3.140 1.00 1.00 O ATOM 1449 CB LYS X 87 95.727 -1.176 -0.334 1.00 1.00 C ATOM 1450 CG LYS X 87 94.891 -0.775 0.870 1.00 1.00 C ATOM 1451 CD LYS X 87 95.553 -1.310 2.143 1.00 1.00 C ATOM 1452 CE LYS X 87 94.757 -0.846 3.360 1.00 1.00 C ATOM 1453 NZ LYS X 87 95.388 -1.360 4.607 1.00 1.00 N ATOM 0 H LYS X 87 93.561 -1.982 -1.224 1.00 1.00 H new ATOM 0 HA LYS X 87 94.819 0.442 -1.433 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.783 -2.262 -0.406 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.748 -0.811 -0.220 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.802 0.310 0.921 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.881 -1.174 0.776 1.00 1.00 H new ATOM 0 HD2 LYS X 87 95.594 -2.399 2.115 1.00 1.00 H new ATOM 0 HD3 LYS X 87 96.581 -0.954 2.209 1.00 1.00 H new ATOM 0 HE2 LYS X 87 94.717 0.243 3.385 1.00 1.00 H new ATOM 0 HE3 LYS X 87 93.729 -1.201 3.290 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 94.679 -1.390 5.368 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 95.758 -2.318 4.440 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 96.168 -0.731 4.886 1.00 1.00 H new ATOM 1467 N GLU X 88 96.346 -1.876 -3.223 1.00 1.00 N ATOM 1468 CA GLU X 88 97.293 -2.063 -4.312 1.00 1.00 C ATOM 1469 C GLU X 88 96.800 -1.382 -5.586 1.00 1.00 C ATOM 1470 O GLU X 88 97.602 -0.941 -6.411 1.00 1.00 O ATOM 1471 CB GLU X 88 97.522 -3.556 -4.573 1.00 1.00 C ATOM 1472 CG GLU X 88 98.411 -4.132 -3.474 1.00 1.00 C ATOM 1473 CD GLU X 88 98.634 -5.621 -3.715 1.00 1.00 C ATOM 1474 OE1 GLU X 88 98.086 -6.133 -4.676 1.00 1.00 O ATOM 1475 OE2 GLU X 88 99.358 -6.225 -2.940 1.00 1.00 O ATOM 0 H GLU X 88 95.892 -2.730 -2.897 1.00 1.00 H new ATOM 0 HA GLU X 88 98.238 -1.605 -4.018 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.568 -4.083 -4.598 1.00 1.00 H new ATOM 0 HB3 GLU X 88 97.990 -3.699 -5.547 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.368 -3.610 -3.457 1.00 1.00 H new ATOM 0 HG3 GLU X 88 97.946 -3.978 -2.500 1.00 1.00 H new ATOM 1482 N LEU X 89 95.482 -1.308 -5.758 1.00 1.00 N ATOM 1483 CA LEU X 89 94.924 -0.683 -6.958 1.00 1.00 C ATOM 1484 C LEU X 89 95.174 0.824 -6.973 1.00 1.00 C ATOM 1485 O LEU X 89 95.633 1.380 -7.971 1.00 1.00 O ATOM 1486 CB LEU X 89 93.415 -0.954 -7.013 1.00 1.00 C ATOM 1487 CG LEU X 89 92.768 -0.193 -8.179 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.416 -0.629 -9.490 1.00 1.00 C ATOM 1489 CD2 LEU X 89 91.267 -0.499 -8.207 1.00 1.00 C ATOM 0 H LEU X 89 94.791 -1.665 -5.097 1.00 1.00 H new ATOM 0 HA LEU X 89 95.418 -1.114 -7.829 1.00 1.00 H new ATOM 0 HB2 LEU X 89 93.237 -2.023 -7.127 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.952 -0.652 -6.074 1.00 1.00 H new ATOM 0 HG LEU X 89 92.914 0.879 -8.050 1.00 1.00 H new ATOM 0 HD11 LEU X 89 92.958 -0.090 -10.319 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.483 -0.409 -9.459 1.00 1.00 H new ATOM 0 HD13 LEU X 89 93.270 -1.700 -9.629 1.00 1.00 H new ATOM 0 HD21 LEU X 89 90.801 0.039 -9.033 1.00 1.00 H new ATOM 0 HD22 LEU X 89 91.116 -1.570 -8.341 1.00 1.00 H new ATOM 0 HD23 LEU X 89 90.814 -0.183 -7.267 1.00 1.00 H new ATOM 1501 N ILE X 90 94.841 1.476 -5.871 1.00 1.00 N ATOM 1502 CA ILE X 90 94.999 2.922 -5.764 1.00 1.00 C ATOM 1503 C ILE X 90 96.470 3.290 -5.667 1.00 1.00 C ATOM 1504 O ILE X 90 96.915 4.275 -6.252 1.00 1.00 O ATOM 1505 CB ILE X 90 94.239 3.446 -4.545 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.787 2.974 -4.617 1.00 1.00 C ATOM 1507 CG2 ILE X 90 94.241 4.979 -4.566 1.00 1.00 C ATOM 1508 CD1 ILE X 90 92.151 3.049 -3.234 1.00 1.00 C ATOM 0 H ILE X 90 94.460 1.030 -5.037 1.00 1.00 H new ATOM 0 HA ILE X 90 94.586 3.385 -6.660 1.00 1.00 H new ATOM 0 HB ILE X 90 94.717 3.077 -3.637 1.00 1.00 H new ATOM 0 HG12 ILE X 90 92.228 3.593 -5.319 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.746 1.951 -4.992 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.700 5.355 -3.698 1.00 1.00 H new ATOM 0 HG22 ILE X 90 95.268 5.342 -4.538 1.00 1.00 H new ATOM 0 HG23 ILE X 90 93.756 5.331 -5.477 1.00 1.00 H new ATOM 0 HD11 ILE X 90 91.116 2.712 -3.291 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.704 2.411 -2.544 1.00 1.00 H new ATOM 0 HD13 ILE X 90 92.178 4.078 -2.876 1.00 1.00 H new ATOM 1520 N ASP X 91 97.213 2.502 -4.903 1.00 1.00 N ATOM 1521 CA ASP X 91 98.638 2.759 -4.709 1.00 1.00 C ATOM 1522 C ASP X 91 99.348 2.928 -6.049 1.00 1.00 C ATOM 1523 O ASP X 91 100.115 3.871 -6.237 1.00 1.00 O ATOM 1524 CB ASP X 91 99.284 1.600 -3.943 1.00 1.00 C ATOM 1525 CG ASP X 91 98.861 1.639 -2.477 1.00 1.00 C ATOM 1526 OD1 ASP X 91 98.311 2.647 -2.064 1.00 1.00 O ATOM 1527 OD2 ASP X 91 99.096 0.659 -1.789 1.00 1.00 O ATOM 0 H ASP X 91 96.858 1.683 -4.409 1.00 1.00 H new ATOM 0 HA ASP X 91 98.737 3.681 -4.136 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.990 0.650 -4.389 1.00 1.00 H new ATOM 0 HB3 ASP X 91 100.369 1.665 -4.018 1.00 1.00 H new