USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.694 K(o=1.9,f=-12!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -177:sc= 1.2 (180deg=0) USER MOD Set 2.1: A 5 HIS : no HE2:sc= 0.78 K(o=0.78,f=-4.4!) USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0.00303 USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= -0.0725 (180deg=-0.309) USER MOD Single : A 8 SER OG : rot -36:sc= 0.0598 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.278) USER MOD Single : A 23 CYS SG : rot 67:sc= 0.761 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 34 ASN : amide:sc= -2.83! C(o=-2.8!,f=-8.4!) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 1.89 (180deg=1.6) USER MOD Single : A 44 THR OG1 : rot -84:sc= 1.25 USER MOD Single : A 46 HIS : no HD1:sc= -2.72 K(o=-2.7,f=-6.6!) USER MOD Single : A 50 SER OG : rot -84:sc= 1.36 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 143:sc= 0.912 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -140:sc= 1.09 (180deg=0.507) USER MOD Single : A 81 SER OG : rot 180:sc= 0.00365 USER MOD Single : A 84 LYS NZ :NH3+ -148:sc= 0.714 (180deg=0.18) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.356 10.495 -3.534 1.00 0.00 N ATOM 36 CA LYS A 4 8.135 11.239 -3.541 1.00 0.00 C ATOM 37 C LYS A 4 8.256 12.360 -2.553 1.00 0.00 C ATOM 38 O LYS A 4 9.273 12.466 -1.865 1.00 0.00 O ATOM 39 CB LYS A 4 6.979 10.336 -3.071 1.00 0.00 C ATOM 40 CG LYS A 4 6.966 10.009 -1.555 1.00 0.00 C ATOM 41 CD LYS A 4 8.141 9.196 -1.074 1.00 0.00 C ATOM 42 CE LYS A 4 8.228 9.211 0.442 1.00 0.00 C ATOM 43 NZ LYS A 4 8.553 10.554 1.012 1.00 0.00 N ATOM 0 HA LYS A 4 7.944 11.612 -4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.036 10.817 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.022 9.400 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.936 10.944 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.048 9.469 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.046 8.169 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.062 9.595 -1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.278 8.871 0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.988 8.497 0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.893 10.444 1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.292 11.006 0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.700 11.149 1.008 1.00 0.00 H new ATOM 57 N HIS A 5 7.237 13.181 -2.461 1.00 0.00 N ATOM 58 CA HIS A 5 7.192 14.134 -1.388 1.00 0.00 C ATOM 59 C HIS A 5 6.431 13.497 -0.202 1.00 0.00 C ATOM 60 O HIS A 5 6.830 13.641 0.941 1.00 0.00 O ATOM 61 CB HIS A 5 6.613 15.514 -1.823 1.00 0.00 C ATOM 62 CG HIS A 5 5.148 15.563 -2.164 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.617 15.220 -3.385 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.101 15.949 -1.403 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.301 15.402 -3.329 1.00 0.00 C ATOM 66 NE2 HIS A 5 2.934 15.844 -2.146 1.00 0.00 N ATOM 0 H HIS A 5 6.445 13.207 -3.103 1.00 0.00 H new ATOM 0 HA HIS A 5 8.209 14.366 -1.071 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.798 16.227 -1.020 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.175 15.859 -2.691 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.141 14.884 -4.193 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.162 16.286 -0.379 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.623 15.212 -4.148 1.00 0.00 H new ATOM 74 N SER A 6 5.390 12.711 -0.509 1.00 0.00 N ATOM 75 CA SER A 6 4.600 12.002 0.508 1.00 0.00 C ATOM 76 C SER A 6 3.846 10.867 -0.178 1.00 0.00 C ATOM 77 O SER A 6 4.021 10.662 -1.368 1.00 0.00 O ATOM 78 CB SER A 6 3.595 12.968 1.126 1.00 0.00 C ATOM 79 OG SER A 6 2.675 13.427 0.137 1.00 0.00 O ATOM 0 H SER A 6 5.073 12.549 -1.465 1.00 0.00 H new ATOM 0 HA SER A 6 5.252 11.608 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.055 12.474 1.933 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.119 13.816 1.566 1.00 0.00 H new ATOM 0 HG SER A 6 2.035 14.045 0.548 1.00 0.00 H new ATOM 85 N ILE A 7 3.004 10.144 0.550 1.00 0.00 N ATOM 86 CA ILE A 7 2.174 9.108 -0.073 1.00 0.00 C ATOM 87 C ILE A 7 1.204 9.751 -1.083 1.00 0.00 C ATOM 88 O ILE A 7 0.850 9.154 -2.087 1.00 0.00 O ATOM 89 CB ILE A 7 1.352 8.291 0.968 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.571 7.169 0.253 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.407 9.205 1.749 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.232 6.289 1.168 1.00 0.00 C ATOM 0 H ILE A 7 2.875 10.249 1.556 1.00 0.00 H new ATOM 0 HA ILE A 7 2.853 8.419 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 7 2.038 7.837 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.100 7.620 -0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.276 6.549 -0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.157 8.614 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.987 9.963 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.283 9.690 1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.748 5.529 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.433 5.806 1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.964 6.893 1.704 1.00 0.00 H new ATOM 104 N SER A 8 0.864 11.010 -0.834 1.00 0.00 N ATOM 105 CA SER A 8 -0.071 11.742 -1.642 1.00 0.00 C ATOM 106 C SER A 8 0.616 12.204 -2.942 1.00 0.00 C ATOM 107 O SER A 8 0.006 12.827 -3.802 1.00 0.00 O ATOM 108 CB SER A 8 -0.615 12.921 -0.823 1.00 0.00 C ATOM 109 OG SER A 8 -1.720 13.551 -1.439 1.00 0.00 O ATOM 0 H SER A 8 1.241 11.547 -0.053 1.00 0.00 H new ATOM 0 HA SER A 8 -0.912 11.110 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.909 12.567 0.165 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.179 13.653 -0.676 1.00 0.00 H new ATOM 0 HG SER A 8 -1.599 13.547 -2.411 1.00 0.00 H new ATOM 115 N ASP A 9 1.910 11.917 -3.052 1.00 0.00 N ATOM 116 CA ASP A 9 2.643 12.138 -4.298 1.00 0.00 C ATOM 117 C ASP A 9 2.251 11.062 -5.275 1.00 0.00 C ATOM 118 O ASP A 9 2.212 11.279 -6.484 1.00 0.00 O ATOM 119 CB ASP A 9 4.135 12.030 -4.058 1.00 0.00 C ATOM 120 CG ASP A 9 4.989 12.379 -5.265 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.317 13.577 -5.431 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.382 11.479 -6.035 1.00 0.00 O ATOM 0 H ASP A 9 2.474 11.531 -2.295 1.00 0.00 H new ATOM 0 HA ASP A 9 2.407 13.131 -4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.407 12.688 -3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.368 11.012 -3.745 1.00 0.00 H new ATOM 127 N TYR A 10 1.942 9.905 -4.732 1.00 0.00 N ATOM 128 CA TYR A 10 1.555 8.783 -5.523 1.00 0.00 C ATOM 129 C TYR A 10 0.085 8.847 -5.807 1.00 0.00 C ATOM 130 O TYR A 10 -0.734 9.097 -4.913 1.00 0.00 O ATOM 131 CB TYR A 10 1.885 7.451 -4.818 1.00 0.00 C ATOM 132 CG TYR A 10 3.358 7.106 -4.752 1.00 0.00 C ATOM 133 CD1 TYR A 10 4.170 7.572 -3.725 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.932 6.295 -5.722 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.510 7.243 -3.676 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.266 5.960 -5.678 1.00 0.00 C ATOM 137 CZ TYR A 10 6.054 6.439 -4.656 1.00 0.00 C ATOM 138 OH TYR A 10 7.397 6.113 -4.611 1.00 0.00 O ATOM 0 H TYR A 10 1.955 9.727 -3.728 1.00 0.00 H new ATOM 0 HA TYR A 10 2.118 8.822 -6.456 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.491 7.488 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.362 6.646 -5.334 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.747 8.200 -2.955 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.319 5.919 -6.528 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.130 7.614 -2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.692 5.325 -6.441 1.00 0.00 H new ATOM 0 HH TYR A 10 7.620 5.539 -5.373 1.00 0.00 H new ATOM 148 N THR A 11 -0.246 8.658 -7.034 1.00 0.00 N ATOM 149 CA THR A 11 -1.600 8.589 -7.458 1.00 0.00 C ATOM 150 C THR A 11 -2.101 7.202 -7.081 1.00 0.00 C ATOM 151 O THR A 11 -1.276 6.290 -6.869 1.00 0.00 O ATOM 152 CB THR A 11 -1.616 8.775 -8.986 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.424 9.497 -9.347 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.818 9.592 -9.447 1.00 0.00 C ATOM 0 H THR A 11 0.431 8.544 -7.788 1.00 0.00 H new ATOM 0 HA THR A 11 -2.230 9.351 -6.999 1.00 0.00 H new ATOM 0 HB THR A 11 -1.670 7.793 -9.457 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.404 9.630 -10.318 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.791 9.699 -10.531 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.737 9.083 -9.156 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.787 10.578 -8.984 1.00 0.00 H new ATOM 162 N GLU A 12 -3.406 7.049 -6.973 1.00 0.00 N ATOM 163 CA GLU A 12 -4.031 5.780 -6.607 1.00 0.00 C ATOM 164 C GLU A 12 -3.455 4.616 -7.426 1.00 0.00 C ATOM 165 O GLU A 12 -3.036 3.612 -6.870 1.00 0.00 O ATOM 166 CB GLU A 12 -5.534 5.879 -6.810 1.00 0.00 C ATOM 167 CG GLU A 12 -6.297 4.616 -6.490 1.00 0.00 C ATOM 168 CD GLU A 12 -7.747 4.764 -6.804 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.126 4.610 -7.981 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.537 5.048 -5.889 1.00 0.00 O ATOM 0 H GLU A 12 -4.073 7.803 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.818 5.579 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.919 6.687 -6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.730 6.153 -7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.883 3.784 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.174 4.372 -5.435 1.00 0.00 H new ATOM 177 N ALA A 13 -3.381 4.803 -8.730 1.00 0.00 N ATOM 178 CA ALA A 13 -2.856 3.798 -9.643 1.00 0.00 C ATOM 179 C ALA A 13 -1.385 3.457 -9.345 1.00 0.00 C ATOM 180 O ALA A 13 -0.999 2.289 -9.361 1.00 0.00 O ATOM 181 CB ALA A 13 -3.017 4.269 -11.076 1.00 0.00 C ATOM 0 H ALA A 13 -3.685 5.661 -9.191 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.430 2.883 -9.498 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.622 3.512 -11.754 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.074 4.431 -11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.471 5.202 -11.216 1.00 0.00 H new ATOM 187 N GLU A 14 -0.595 4.471 -9.022 1.00 0.00 N ATOM 188 CA GLU A 14 0.841 4.304 -8.740 1.00 0.00 C ATOM 189 C GLU A 14 1.029 3.551 -7.443 1.00 0.00 C ATOM 190 O GLU A 14 1.928 2.715 -7.304 1.00 0.00 O ATOM 191 CB GLU A 14 1.531 5.667 -8.657 1.00 0.00 C ATOM 192 CG GLU A 14 1.353 6.526 -9.894 1.00 0.00 C ATOM 193 CD GLU A 14 1.899 5.871 -11.128 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.102 6.033 -11.417 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.147 5.175 -11.828 1.00 0.00 O ATOM 0 H GLU A 14 -0.921 5.434 -8.946 1.00 0.00 H new ATOM 0 HA GLU A 14 1.291 3.734 -9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.143 6.207 -7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.596 5.513 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.293 6.738 -10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.852 7.483 -9.743 1.00 0.00 H new ATOM 202 N PHE A 15 0.171 3.836 -6.504 1.00 0.00 N ATOM 203 CA PHE A 15 0.183 3.157 -5.241 1.00 0.00 C ATOM 204 C PHE A 15 -0.338 1.754 -5.429 1.00 0.00 C ATOM 205 O PHE A 15 0.091 0.854 -4.796 1.00 0.00 O ATOM 206 CB PHE A 15 -0.634 3.916 -4.207 1.00 0.00 C ATOM 207 CG PHE A 15 -0.566 3.323 -2.834 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.424 3.713 -1.955 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.500 2.385 -2.417 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.487 3.181 -0.689 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.446 1.858 -1.155 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.449 2.252 -0.290 1.00 0.00 C ATOM 0 H PHE A 15 -0.556 4.546 -6.594 1.00 0.00 H new ATOM 0 HA PHE A 15 1.206 3.108 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.284 4.947 -4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.675 3.946 -4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.157 4.444 -2.265 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.278 2.067 -3.096 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.267 3.490 -0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.183 1.135 -0.838 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.401 1.832 0.704 1.00 0.00 H new ATOM 222 N LEU A 16 -1.240 1.583 -6.322 1.00 0.00 N ATOM 223 CA LEU A 16 -1.772 0.269 -6.611 1.00 0.00 C ATOM 224 C LEU A 16 -0.703 -0.586 -7.278 1.00 0.00 C ATOM 225 O LEU A 16 -0.723 -1.812 -7.230 1.00 0.00 O ATOM 226 CB LEU A 16 -3.063 0.429 -7.420 1.00 0.00 C ATOM 227 CG LEU A 16 -3.904 -0.791 -7.610 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.344 -0.399 -7.814 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.474 -1.562 -8.790 1.00 0.00 C ATOM 0 H LEU A 16 -1.641 2.336 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.042 -0.267 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.675 1.189 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.799 0.814 -8.405 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.792 -1.403 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.949 -1.295 -7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.699 0.148 -6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.427 0.234 -8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.107 -2.443 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.560 -0.941 -9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.437 -1.873 -8.663 1.00 0.00 H new ATOM 241 N GLU A 17 0.218 0.060 -7.862 1.00 0.00 N ATOM 242 CA GLU A 17 1.370 -0.605 -8.349 1.00 0.00 C ATOM 243 C GLU A 17 2.373 -0.907 -7.230 1.00 0.00 C ATOM 244 O GLU A 17 3.217 -1.749 -7.413 1.00 0.00 O ATOM 245 CB GLU A 17 2.010 0.040 -9.568 1.00 0.00 C ATOM 246 CG GLU A 17 1.089 0.039 -10.768 1.00 0.00 C ATOM 247 CD GLU A 17 1.810 0.225 -12.068 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.076 1.371 -12.468 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.102 -0.787 -12.734 1.00 0.00 O ATOM 0 H GLU A 17 0.204 1.067 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 17 1.010 -1.563 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.290 1.066 -9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.929 -0.491 -9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.541 -0.903 -10.796 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.352 0.834 -10.652 1.00 0.00 H new ATOM 256 N PHE A 18 2.269 -0.202 -6.062 1.00 0.00 N ATOM 257 CA PHE A 18 3.161 -0.477 -4.877 1.00 0.00 C ATOM 258 C PHE A 18 3.067 -1.933 -4.556 1.00 0.00 C ATOM 259 O PHE A 18 4.059 -2.634 -4.469 1.00 0.00 O ATOM 260 CB PHE A 18 2.769 0.371 -3.556 1.00 0.00 C ATOM 261 CG PHE A 18 1.996 -0.378 -2.369 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.606 -0.508 -2.357 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.684 -0.936 -1.291 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.059 -1.166 -1.319 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.010 -1.588 -0.259 1.00 0.00 C ATOM 266 CZ PHE A 18 0.648 -1.701 -0.279 1.00 0.00 C ATOM 0 H PHE A 18 1.593 0.547 -5.911 1.00 0.00 H new ATOM 0 HA PHE A 18 4.171 -0.175 -5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.689 0.786 -3.143 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.154 1.213 -3.873 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.031 -0.090 -3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.761 -0.861 -1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.135 -1.252 -1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.569 -2.008 0.564 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.133 -2.210 0.522 1.00 0.00 H new ATOM 276 N VAL A 19 1.851 -2.374 -4.476 1.00 0.00 N ATOM 277 CA VAL A 19 1.538 -3.696 -4.056 1.00 0.00 C ATOM 278 C VAL A 19 1.900 -4.718 -5.118 1.00 0.00 C ATOM 279 O VAL A 19 2.489 -5.742 -4.812 1.00 0.00 O ATOM 280 CB VAL A 19 0.059 -3.794 -3.579 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.924 -3.425 -4.656 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.251 -5.131 -2.943 1.00 0.00 C ATOM 0 H VAL A 19 1.033 -1.810 -4.707 1.00 0.00 H new ATOM 0 HA VAL A 19 2.155 -3.939 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.060 -3.045 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.939 -3.511 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.744 -2.399 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.802 -4.097 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.294 -5.150 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.076 -5.927 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.394 -5.280 -2.077 1.00 0.00 H new ATOM 292 N LYS A 20 1.621 -4.396 -6.367 1.00 0.00 N ATOM 293 CA LYS A 20 1.980 -5.272 -7.469 1.00 0.00 C ATOM 294 C LYS A 20 3.517 -5.385 -7.564 1.00 0.00 C ATOM 295 O LYS A 20 4.070 -6.441 -7.896 1.00 0.00 O ATOM 296 CB LYS A 20 1.441 -4.731 -8.777 1.00 0.00 C ATOM 297 CG LYS A 20 -0.068 -4.661 -8.849 1.00 0.00 C ATOM 298 CD LYS A 20 -0.478 -4.247 -10.221 1.00 0.00 C ATOM 299 CE LYS A 20 -1.973 -4.140 -10.418 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.302 -3.883 -11.843 1.00 0.00 N ATOM 0 H LYS A 20 1.148 -3.536 -6.645 1.00 0.00 H new ATOM 0 HA LYS A 20 1.545 -6.254 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.847 -3.732 -8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.803 -5.358 -9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.500 -5.631 -8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.446 -3.950 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.024 -3.283 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.079 -4.964 -10.939 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.454 -5.061 -10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.369 -3.336 -9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.334 -3.813 -11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.860 -2.992 -12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.943 -4.664 -12.429 1.00 0.00 H new ATOM 314 N LYS A 21 4.191 -4.284 -7.243 1.00 0.00 N ATOM 315 CA LYS A 21 5.644 -4.210 -7.222 1.00 0.00 C ATOM 316 C LYS A 21 6.190 -5.086 -6.098 1.00 0.00 C ATOM 317 O LYS A 21 7.275 -5.654 -6.210 1.00 0.00 O ATOM 318 CB LYS A 21 6.102 -2.741 -7.068 1.00 0.00 C ATOM 319 CG LYS A 21 7.601 -2.530 -7.127 1.00 0.00 C ATOM 320 CD LYS A 21 7.968 -1.051 -7.169 1.00 0.00 C ATOM 321 CE LYS A 21 7.571 -0.287 -5.913 1.00 0.00 C ATOM 322 NZ LYS A 21 7.949 1.138 -6.019 1.00 0.00 N ATOM 0 H LYS A 21 3.735 -3.408 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 21 6.040 -4.584 -8.166 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.635 -2.146 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.733 -2.359 -6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.067 -2.995 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.003 -3.029 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.044 -0.957 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.486 -0.590 -8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.496 -0.371 -5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.055 -0.732 -5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.072 1.536 -5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.841 1.222 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.201 1.659 -6.519 1.00 0.00 H new ATOM 336 N ILE A 22 5.420 -5.214 -5.037 1.00 0.00 N ATOM 337 CA ILE A 22 5.772 -6.078 -3.928 1.00 0.00 C ATOM 338 C ILE A 22 5.500 -7.533 -4.310 1.00 0.00 C ATOM 339 O ILE A 22 6.241 -8.433 -3.946 1.00 0.00 O ATOM 340 CB ILE A 22 5.010 -5.691 -2.635 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.351 -4.245 -2.271 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.375 -6.633 -1.490 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.652 -3.715 -1.059 1.00 0.00 C ATOM 0 H ILE A 22 4.534 -4.723 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 22 6.834 -5.955 -3.717 1.00 0.00 H new ATOM 0 HB ILE A 22 3.937 -5.780 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.427 -4.170 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.109 -3.606 -3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.829 -6.343 -0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.111 -7.655 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.446 -6.574 -1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.959 -2.684 -0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.574 -3.751 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.913 -4.324 -0.193 1.00 0.00 H new ATOM 355 N CYS A 23 4.460 -7.746 -5.085 1.00 0.00 N ATOM 356 CA CYS A 23 4.131 -9.059 -5.598 1.00 0.00 C ATOM 357 C CYS A 23 5.259 -9.628 -6.491 1.00 0.00 C ATOM 358 O CYS A 23 5.422 -10.834 -6.602 1.00 0.00 O ATOM 359 CB CYS A 23 2.788 -9.011 -6.323 1.00 0.00 C ATOM 360 SG CYS A 23 1.387 -8.612 -5.247 1.00 0.00 S ATOM 0 H CYS A 23 3.816 -7.012 -5.379 1.00 0.00 H new ATOM 0 HA CYS A 23 4.038 -9.747 -4.757 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.843 -8.270 -7.121 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.607 -9.976 -6.796 1.00 0.00 H new ATOM 0 HG CYS A 23 1.499 -7.388 -4.825 1.00 0.00 H new ATOM 366 N ARG A 24 6.036 -8.758 -7.110 1.00 0.00 N ATOM 367 CA ARG A 24 7.195 -9.199 -7.874 1.00 0.00 C ATOM 368 C ARG A 24 8.496 -9.031 -7.088 1.00 0.00 C ATOM 369 O ARG A 24 9.570 -9.379 -7.583 1.00 0.00 O ATOM 370 CB ARG A 24 7.315 -8.458 -9.195 1.00 0.00 C ATOM 371 CG ARG A 24 7.341 -6.967 -9.058 1.00 0.00 C ATOM 372 CD ARG A 24 7.688 -6.316 -10.354 1.00 0.00 C ATOM 373 NE ARG A 24 9.095 -6.537 -10.729 1.00 0.00 N ATOM 374 CZ ARG A 24 9.553 -6.776 -11.966 1.00 0.00 C ATOM 375 NH1 ARG A 24 8.706 -6.922 -12.986 1.00 0.00 N ATOM 376 NH2 ARG A 24 10.864 -6.890 -12.173 1.00 0.00 N ATOM 0 H ARG A 24 5.890 -7.749 -7.101 1.00 0.00 H new ATOM 0 HA ARG A 24 7.037 -10.259 -8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.225 -8.782 -9.700 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.478 -8.739 -9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.368 -6.613 -8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.068 -6.681 -8.297 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.039 -6.705 -11.139 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.497 -5.245 -10.283 1.00 0.00 H new ATOM 0 HE ARG A 24 9.785 -6.505 -9.978 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.701 -6.852 -12.828 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.064 -7.104 -13.924 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.514 -6.795 -11.392 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.218 -7.072 -13.112 1.00 0.00 H new ATOM 390 N ALA A 25 8.400 -8.545 -5.860 1.00 0.00 N ATOM 391 CA ALA A 25 9.580 -8.118 -5.083 1.00 0.00 C ATOM 392 C ALA A 25 10.303 -9.248 -4.371 1.00 0.00 C ATOM 393 O ALA A 25 11.172 -8.994 -3.561 1.00 0.00 O ATOM 394 CB ALA A 25 9.207 -7.046 -4.084 1.00 0.00 C ATOM 0 H ALA A 25 7.515 -8.431 -5.367 1.00 0.00 H new ATOM 0 HA ALA A 25 10.277 -7.721 -5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.093 -6.747 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.803 -6.182 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.456 -7.435 -3.396 1.00 0.00 H new ATOM 400 N GLU A 26 9.952 -10.476 -4.681 1.00 0.00 N ATOM 401 CA GLU A 26 10.621 -11.640 -4.106 1.00 0.00 C ATOM 402 C GLU A 26 12.129 -11.610 -4.403 1.00 0.00 C ATOM 403 O GLU A 26 12.937 -12.077 -3.594 1.00 0.00 O ATOM 404 CB GLU A 26 9.967 -12.927 -4.612 1.00 0.00 C ATOM 405 CG GLU A 26 9.821 -12.985 -6.121 1.00 0.00 C ATOM 406 CD GLU A 26 9.122 -14.217 -6.587 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.875 -14.232 -6.623 1.00 0.00 O ATOM 408 OE2 GLU A 26 9.804 -15.194 -6.943 1.00 0.00 O ATOM 0 H GLU A 26 9.201 -10.704 -5.333 1.00 0.00 H new ATOM 0 HA GLU A 26 10.508 -11.611 -3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.559 -13.780 -4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.982 -13.027 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.269 -12.109 -6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.809 -12.938 -6.579 1.00 0.00 H new ATOM 415 N GLY A 27 12.461 -11.069 -5.591 1.00 0.00 N ATOM 416 CA GLY A 27 13.823 -10.819 -6.041 1.00 0.00 C ATOM 417 C GLY A 27 14.835 -11.861 -5.647 1.00 0.00 C ATOM 418 O GLY A 27 14.774 -13.014 -6.088 1.00 0.00 O ATOM 0 H GLY A 27 11.760 -10.789 -6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.819 -10.734 -7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.147 -9.856 -5.647 1.00 0.00 H new ATOM 422 N ALA A 28 15.750 -11.456 -4.800 1.00 0.00 N ATOM 423 CA ALA A 28 16.807 -12.319 -4.350 1.00 0.00 C ATOM 424 C ALA A 28 16.492 -12.936 -2.996 1.00 0.00 C ATOM 425 O ALA A 28 16.846 -14.085 -2.724 1.00 0.00 O ATOM 426 CB ALA A 28 18.114 -11.555 -4.281 1.00 0.00 C ATOM 0 H ALA A 28 15.780 -10.516 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 28 16.900 -13.130 -5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.907 -12.220 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.364 -11.172 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 28 18.013 -10.723 -3.584 1.00 0.00 H new ATOM 432 N THR A 29 15.865 -12.181 -2.135 1.00 0.00 N ATOM 433 CA THR A 29 15.562 -12.629 -0.792 1.00 0.00 C ATOM 434 C THR A 29 14.342 -11.851 -0.311 1.00 0.00 C ATOM 435 O THR A 29 14.031 -10.814 -0.877 1.00 0.00 O ATOM 436 CB THR A 29 16.777 -12.364 0.149 1.00 0.00 C ATOM 437 OG1 THR A 29 17.966 -12.870 -0.464 1.00 0.00 O ATOM 438 CG2 THR A 29 16.619 -13.058 1.494 1.00 0.00 C ATOM 0 H THR A 29 15.547 -11.234 -2.340 1.00 0.00 H new ATOM 0 HA THR A 29 15.358 -13.700 -0.783 1.00 0.00 H new ATOM 0 HB THR A 29 16.834 -11.288 0.312 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.733 -12.704 0.123 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.488 -12.846 2.117 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.720 -12.692 1.989 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.536 -14.134 1.341 1.00 0.00 H new ATOM 446 N GLU A 30 13.687 -12.329 0.737 1.00 0.00 N ATOM 447 CA GLU A 30 12.468 -11.707 1.267 1.00 0.00 C ATOM 448 C GLU A 30 12.687 -10.301 1.829 1.00 0.00 C ATOM 449 O GLU A 30 11.741 -9.580 2.128 1.00 0.00 O ATOM 450 CB GLU A 30 11.731 -12.641 2.249 1.00 0.00 C ATOM 451 CG GLU A 30 12.601 -13.347 3.297 1.00 0.00 C ATOM 452 CD GLU A 30 13.336 -12.424 4.229 1.00 0.00 C ATOM 453 OE1 GLU A 30 12.753 -11.990 5.252 1.00 0.00 O ATOM 454 OE2 GLU A 30 14.513 -12.140 3.970 1.00 0.00 O ATOM 0 H GLU A 30 13.981 -13.160 1.249 1.00 0.00 H new ATOM 0 HA GLU A 30 11.808 -11.560 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.972 -12.059 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.207 -13.402 1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.968 -14.009 3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.328 -13.976 2.782 1.00 0.00 H new ATOM 461 N GLU A 31 13.937 -9.918 1.963 1.00 0.00 N ATOM 462 CA GLU A 31 14.278 -8.583 2.366 1.00 0.00 C ATOM 463 C GLU A 31 14.058 -7.601 1.224 1.00 0.00 C ATOM 464 O GLU A 31 14.008 -6.389 1.424 1.00 0.00 O ATOM 465 CB GLU A 31 15.694 -8.508 2.966 1.00 0.00 C ATOM 466 CG GLU A 31 16.838 -9.106 2.134 1.00 0.00 C ATOM 467 CD GLU A 31 17.145 -8.336 0.877 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.592 -7.178 0.980 1.00 0.00 O ATOM 469 OE2 GLU A 31 16.963 -8.868 -0.232 1.00 0.00 O ATOM 0 H GLU A 31 14.739 -10.525 1.795 1.00 0.00 H new ATOM 0 HA GLU A 31 13.604 -8.287 3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.926 -7.460 3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.679 -9.012 3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.737 -9.151 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.583 -10.131 1.867 1.00 0.00 H new ATOM 476 N ASP A 32 13.964 -8.125 0.026 1.00 0.00 N ATOM 477 CA ASP A 32 13.666 -7.318 -1.138 1.00 0.00 C ATOM 478 C ASP A 32 12.203 -6.941 -1.032 1.00 0.00 C ATOM 479 O ASP A 32 11.830 -5.772 -1.191 1.00 0.00 O ATOM 480 CB ASP A 32 13.939 -8.101 -2.436 1.00 0.00 C ATOM 481 CG ASP A 32 14.130 -7.211 -3.643 1.00 0.00 C ATOM 482 OD1 ASP A 32 13.165 -6.627 -4.169 1.00 0.00 O ATOM 483 OD2 ASP A 32 15.292 -7.052 -4.076 1.00 0.00 O ATOM 0 H ASP A 32 14.091 -9.118 -0.172 1.00 0.00 H new ATOM 0 HA ASP A 32 14.299 -6.431 -1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.830 -8.715 -2.301 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.108 -8.782 -2.623 1.00 0.00 H new ATOM 488 N ASP A 33 11.400 -7.932 -0.671 1.00 0.00 N ATOM 489 CA ASP A 33 9.972 -7.754 -0.419 1.00 0.00 C ATOM 490 C ASP A 33 9.772 -6.810 0.728 1.00 0.00 C ATOM 491 O ASP A 33 9.222 -5.710 0.569 1.00 0.00 O ATOM 492 CB ASP A 33 9.279 -9.071 -0.005 1.00 0.00 C ATOM 493 CG ASP A 33 9.345 -10.198 -0.989 1.00 0.00 C ATOM 494 OD1 ASP A 33 10.362 -10.917 -1.020 1.00 0.00 O ATOM 495 OD2 ASP A 33 8.331 -10.446 -1.685 1.00 0.00 O ATOM 0 H ASP A 33 11.722 -8.891 -0.543 1.00 0.00 H new ATOM 0 HA ASP A 33 9.544 -7.381 -1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.721 -9.410 0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.230 -8.856 0.197 1.00 0.00 H new ATOM 500 N ASN A 34 10.256 -7.228 1.890 1.00 0.00 N ATOM 501 CA ASN A 34 9.992 -6.529 3.128 1.00 0.00 C ATOM 502 C ASN A 34 10.473 -5.094 3.148 1.00 0.00 C ATOM 503 O ASN A 34 9.787 -4.246 3.702 1.00 0.00 O ATOM 504 CB ASN A 34 10.402 -7.322 4.411 1.00 0.00 C ATOM 505 CG ASN A 34 11.895 -7.511 4.659 1.00 0.00 C ATOM 506 OD1 ASN A 34 12.719 -6.697 4.283 1.00 0.00 O ATOM 507 ND2 ASN A 34 12.243 -8.589 5.319 1.00 0.00 N ATOM 0 H ASN A 34 10.839 -8.058 1.995 1.00 0.00 H new ATOM 0 HA ASN A 34 8.904 -6.468 3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.977 -6.812 5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.939 -8.308 4.363 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.226 -8.763 5.530 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.531 -9.254 5.622 1.00 0.00 H new ATOM 514 N LYS A 35 11.605 -4.784 2.501 1.00 0.00 N ATOM 515 CA LYS A 35 12.086 -3.407 2.523 1.00 0.00 C ATOM 516 C LYS A 35 11.111 -2.487 1.813 1.00 0.00 C ATOM 517 O LYS A 35 10.951 -1.321 2.211 1.00 0.00 O ATOM 518 CB LYS A 35 13.502 -3.223 1.957 1.00 0.00 C ATOM 519 CG LYS A 35 13.639 -3.395 0.455 1.00 0.00 C ATOM 520 CD LYS A 35 14.993 -2.904 -0.033 1.00 0.00 C ATOM 521 CE LYS A 35 16.154 -3.727 0.509 1.00 0.00 C ATOM 522 NZ LYS A 35 16.106 -5.135 0.052 1.00 0.00 N ATOM 0 H LYS A 35 12.181 -5.443 1.977 1.00 0.00 H new ATOM 0 HA LYS A 35 12.149 -3.138 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.853 -2.226 2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.165 -3.936 2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.514 -4.446 0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.846 -2.845 -0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.012 -2.932 -1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.124 -1.863 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.095 -3.276 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.138 -3.700 1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.975 -5.625 0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.281 -5.609 0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.028 -5.161 -0.985 1.00 0.00 H new ATOM 536 N LEU A 36 10.421 -3.011 0.792 1.00 0.00 N ATOM 537 CA LEU A 36 9.448 -2.207 0.103 1.00 0.00 C ATOM 538 C LEU A 36 8.236 -2.046 0.980 1.00 0.00 C ATOM 539 O LEU A 36 7.784 -0.938 1.217 1.00 0.00 O ATOM 540 CB LEU A 36 9.048 -2.813 -1.244 1.00 0.00 C ATOM 541 CG LEU A 36 10.172 -3.008 -2.256 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.607 -3.488 -3.577 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.958 -1.725 -2.445 1.00 0.00 C ATOM 0 H LEU A 36 10.525 -3.964 0.444 1.00 0.00 H new ATOM 0 HA LEU A 36 9.895 -1.235 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.582 -3.781 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.288 -2.174 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 36 10.855 -3.766 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.418 -3.624 -4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.091 -4.437 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.904 -2.749 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.754 -1.890 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.293 -0.941 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.393 -1.421 -1.493 1.00 0.00 H new ATOM 555 N VAL A 37 7.767 -3.160 1.523 1.00 0.00 N ATOM 556 CA VAL A 37 6.576 -3.169 2.370 1.00 0.00 C ATOM 557 C VAL A 37 6.715 -2.158 3.514 1.00 0.00 C ATOM 558 O VAL A 37 5.839 -1.337 3.721 1.00 0.00 O ATOM 559 CB VAL A 37 6.301 -4.561 2.984 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.966 -4.553 3.675 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.343 -5.663 1.947 1.00 0.00 C ATOM 0 H VAL A 37 8.194 -4.077 1.393 1.00 0.00 H new ATOM 0 HA VAL A 37 5.741 -2.900 1.723 1.00 0.00 H new ATOM 0 HB VAL A 37 7.092 -4.767 3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.774 -5.535 4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.970 -3.803 4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.184 -4.315 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.144 -6.621 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.587 -5.474 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.329 -5.688 1.482 1.00 0.00 H new ATOM 571 N ARG A 38 7.854 -2.192 4.194 1.00 0.00 N ATOM 572 CA ARG A 38 8.127 -1.301 5.329 1.00 0.00 C ATOM 573 C ARG A 38 8.018 0.184 4.966 1.00 0.00 C ATOM 574 O ARG A 38 7.438 0.964 5.729 1.00 0.00 O ATOM 575 CB ARG A 38 9.503 -1.582 5.940 1.00 0.00 C ATOM 576 CG ARG A 38 9.572 -2.701 6.987 1.00 0.00 C ATOM 577 CD ARG A 38 8.956 -4.008 6.531 1.00 0.00 C ATOM 578 NE ARG A 38 9.318 -5.128 7.409 1.00 0.00 N ATOM 579 CZ ARG A 38 8.705 -6.316 7.437 1.00 0.00 C ATOM 580 NH1 ARG A 38 7.574 -6.507 6.747 1.00 0.00 N ATOM 581 NH2 ARG A 38 9.204 -7.297 8.176 1.00 0.00 N ATOM 0 H ARG A 38 8.617 -2.834 3.980 1.00 0.00 H new ATOM 0 HA ARG A 38 7.353 -1.517 6.066 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.191 -1.829 5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.867 -0.663 6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.615 -2.875 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.066 -2.369 7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.871 -3.906 6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.282 -4.226 5.514 1.00 0.00 H new ATOM 0 HE ARG A 38 10.100 -4.989 8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.177 -5.745 6.197 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.109 -7.415 6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.053 -7.144 8.721 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.739 -8.205 8.200 1.00 0.00 H new ATOM 595 N GLU A 39 8.531 0.583 3.792 1.00 0.00 N ATOM 596 CA GLU A 39 8.488 1.995 3.438 1.00 0.00 C ATOM 597 C GLU A 39 7.054 2.411 3.159 1.00 0.00 C ATOM 598 O GLU A 39 6.628 3.517 3.525 1.00 0.00 O ATOM 599 CB GLU A 39 9.411 2.372 2.253 1.00 0.00 C ATOM 600 CG GLU A 39 8.983 1.848 0.889 1.00 0.00 C ATOM 601 CD GLU A 39 9.807 2.423 -0.226 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.617 3.602 -0.557 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.678 1.726 -0.783 1.00 0.00 O ATOM 0 H GLU A 39 8.963 -0.030 3.101 1.00 0.00 H new ATOM 0 HA GLU A 39 8.875 2.545 4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.477 3.459 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.414 2.002 2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.067 0.761 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.933 2.088 0.723 1.00 0.00 H new ATOM 610 N PHE A 40 6.297 1.497 2.572 1.00 0.00 N ATOM 611 CA PHE A 40 4.918 1.739 2.250 1.00 0.00 C ATOM 612 C PHE A 40 4.037 1.707 3.499 1.00 0.00 C ATOM 613 O PHE A 40 3.077 2.483 3.598 1.00 0.00 O ATOM 614 CB PHE A 40 4.421 0.782 1.172 1.00 0.00 C ATOM 615 CG PHE A 40 5.055 0.992 -0.196 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.806 2.145 -0.928 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.876 0.029 -0.751 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.373 2.324 -2.183 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.437 0.197 -1.998 1.00 0.00 C ATOM 620 CZ PHE A 40 6.189 1.343 -2.715 1.00 0.00 C ATOM 0 H PHE A 40 6.631 0.570 2.309 1.00 0.00 H new ATOM 0 HA PHE A 40 4.847 2.746 1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.613 -0.241 1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.340 0.889 1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.165 2.911 -0.517 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.082 -0.874 -0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.177 3.227 -2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.072 -0.572 -2.412 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.630 1.477 -3.692 1.00 0.00 H new ATOM 630 N GLU A 41 4.368 0.828 4.458 1.00 0.00 N ATOM 631 CA GLU A 41 3.697 0.791 5.763 1.00 0.00 C ATOM 632 C GLU A 41 3.825 2.140 6.469 1.00 0.00 C ATOM 633 O GLU A 41 2.928 2.564 7.162 1.00 0.00 O ATOM 634 CB GLU A 41 4.260 -0.330 6.663 1.00 0.00 C ATOM 635 CG GLU A 41 3.834 -1.749 6.278 1.00 0.00 C ATOM 636 CD GLU A 41 4.425 -2.821 7.166 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.652 -3.086 7.112 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.669 -3.419 7.964 1.00 0.00 O ATOM 0 H GLU A 41 5.103 0.129 4.350 1.00 0.00 H new ATOM 0 HA GLU A 41 2.643 0.579 5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.349 -0.277 6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.949 -0.140 7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.747 -1.816 6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.129 -1.940 5.246 1.00 0.00 H new ATOM 645 N ARG A 42 4.939 2.808 6.257 1.00 0.00 N ATOM 646 CA ARG A 42 5.184 4.136 6.829 1.00 0.00 C ATOM 647 C ARG A 42 4.401 5.208 6.091 1.00 0.00 C ATOM 648 O ARG A 42 3.851 6.107 6.708 1.00 0.00 O ATOM 649 CB ARG A 42 6.663 4.464 6.775 1.00 0.00 C ATOM 650 CG ARG A 42 7.531 3.609 7.668 1.00 0.00 C ATOM 651 CD ARG A 42 9.000 3.797 7.336 1.00 0.00 C ATOM 652 NE ARG A 42 9.403 5.210 7.355 1.00 0.00 N ATOM 653 CZ ARG A 42 10.544 5.692 6.832 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.413 4.867 6.252 1.00 0.00 N ATOM 655 NH2 ARG A 42 10.804 7.001 6.884 1.00 0.00 N ATOM 0 H ARG A 42 5.706 2.455 5.685 1.00 0.00 H new ATOM 0 HA ARG A 42 4.850 4.117 7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.008 4.358 5.746 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.800 5.510 7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.354 3.869 8.712 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.259 2.560 7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.605 3.240 8.051 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.204 3.377 6.351 1.00 0.00 H new ATOM 0 HE ARG A 42 8.769 5.875 7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.214 3.868 6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.278 5.234 5.856 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.137 7.637 7.321 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.670 7.365 6.487 1.00 0.00 H new ATOM 669 N LEU A 43 4.340 5.093 4.769 1.00 0.00 N ATOM 670 CA LEU A 43 3.628 6.065 3.926 1.00 0.00 C ATOM 671 C LEU A 43 2.148 6.088 4.244 1.00 0.00 C ATOM 672 O LEU A 43 1.484 7.117 4.159 1.00 0.00 O ATOM 673 CB LEU A 43 3.842 5.743 2.441 1.00 0.00 C ATOM 674 CG LEU A 43 5.263 5.903 1.920 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.329 5.568 0.443 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.766 7.312 2.159 1.00 0.00 C ATOM 0 H LEU A 43 4.777 4.332 4.248 1.00 0.00 H new ATOM 0 HA LEU A 43 4.037 7.053 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.525 4.715 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.186 6.385 1.853 1.00 0.00 H new ATOM 0 HG LEU A 43 5.904 5.210 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.353 5.688 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.010 4.537 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.672 6.238 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.783 7.404 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.120 8.022 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.757 7.525 3.228 1.00 0.00 H new ATOM 688 N THR A 44 1.648 4.962 4.607 1.00 0.00 N ATOM 689 CA THR A 44 0.273 4.815 4.929 1.00 0.00 C ATOM 690 C THR A 44 0.040 4.973 6.418 1.00 0.00 C ATOM 691 O THR A 44 -1.068 5.334 6.852 1.00 0.00 O ATOM 692 CB THR A 44 -0.175 3.431 4.480 1.00 0.00 C ATOM 693 OG1 THR A 44 0.749 2.453 4.988 1.00 0.00 O ATOM 694 CG2 THR A 44 -0.188 3.354 2.981 1.00 0.00 C ATOM 0 H THR A 44 2.191 4.102 4.690 1.00 0.00 H new ATOM 0 HA THR A 44 -0.301 5.589 4.420 1.00 0.00 H new ATOM 0 HB THR A 44 -1.179 3.239 4.859 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.517 2.384 4.384 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.510 2.360 2.671 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.878 4.099 2.584 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.814 3.547 2.598 1.00 0.00 H new ATOM 702 N GLU A 45 1.122 4.749 7.189 1.00 0.00 N ATOM 703 CA GLU A 45 1.098 4.639 8.650 1.00 0.00 C ATOM 704 C GLU A 45 0.198 3.465 9.016 1.00 0.00 C ATOM 705 O GLU A 45 -0.357 3.386 10.120 1.00 0.00 O ATOM 706 CB GLU A 45 0.610 5.923 9.323 1.00 0.00 C ATOM 707 CG GLU A 45 1.457 7.154 9.061 1.00 0.00 C ATOM 708 CD GLU A 45 0.933 8.350 9.810 1.00 0.00 C ATOM 709 OE1 GLU A 45 -0.170 8.822 9.496 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.592 8.816 10.758 1.00 0.00 O ATOM 0 H GLU A 45 2.057 4.638 6.798 1.00 0.00 H new ATOM 0 HA GLU A 45 2.114 4.475 9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.408 6.125 8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.565 5.755 10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.487 6.959 9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.469 7.369 7.992 1.00 0.00 H new ATOM 717 N HIS A 46 0.110 2.524 8.088 1.00 0.00 N ATOM 718 CA HIS A 46 -0.783 1.428 8.209 1.00 0.00 C ATOM 719 C HIS A 46 -0.086 0.261 8.925 1.00 0.00 C ATOM 720 O HIS A 46 0.947 -0.220 8.473 1.00 0.00 O ATOM 721 CB HIS A 46 -1.333 1.000 6.819 1.00 0.00 C ATOM 722 CG HIS A 46 -2.508 0.071 6.891 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.603 -0.922 7.807 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.698 0.094 6.251 1.00 0.00 C ATOM 725 CE1 HIS A 46 -3.793 -1.454 7.740 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.515 -0.888 6.802 1.00 0.00 N ATOM 0 H HIS A 46 0.667 2.517 7.234 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.638 1.736 8.811 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.621 1.892 6.263 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.534 0.517 6.256 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.969 0.762 5.447 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.139 -2.256 8.375 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.472 -1.119 6.534 1.00 0.00 H new ATOM 734 N PRO A 47 -0.678 -0.202 10.042 1.00 0.00 N ATOM 735 CA PRO A 47 -0.147 -1.279 10.878 1.00 0.00 C ATOM 736 C PRO A 47 0.039 -2.569 10.128 1.00 0.00 C ATOM 737 O PRO A 47 1.135 -3.088 9.997 1.00 0.00 O ATOM 738 CB PRO A 47 -1.253 -1.490 11.920 1.00 0.00 C ATOM 739 CG PRO A 47 -2.421 -0.729 11.471 1.00 0.00 C ATOM 740 CD PRO A 47 -1.913 0.331 10.598 1.00 0.00 C ATOM 0 HA PRO A 47 0.832 -1.014 11.277 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.496 -2.548 12.014 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.926 -1.149 12.902 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.121 -1.371 10.936 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.960 -0.308 12.320 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.628 0.572 9.812 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.731 1.249 11.156 1.00 0.00 H new ATOM 748 N ASP A 48 -1.046 -3.028 9.575 1.00 0.00 N ATOM 749 CA ASP A 48 -1.133 -4.279 8.918 1.00 0.00 C ATOM 750 C ASP A 48 -0.678 -4.143 7.506 1.00 0.00 C ATOM 751 O ASP A 48 -0.932 -5.008 6.737 1.00 0.00 O ATOM 752 CB ASP A 48 -2.593 -4.772 8.896 1.00 0.00 C ATOM 753 CG ASP A 48 -3.239 -4.830 10.247 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.770 -3.801 10.696 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.228 -5.902 10.885 1.00 0.00 O ATOM 0 H ASP A 48 -1.925 -2.511 9.575 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.505 -4.988 9.457 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.178 -4.114 8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.623 -5.765 8.448 1.00 0.00 H new ATOM 760 N GLY A 49 0.019 -3.047 7.174 1.00 0.00 N ATOM 761 CA GLY A 49 0.501 -2.813 5.781 1.00 0.00 C ATOM 762 C GLY A 49 1.263 -3.963 5.212 1.00 0.00 C ATOM 763 O GLY A 49 1.314 -4.143 4.006 1.00 0.00 O ATOM 0 H GLY A 49 0.266 -2.309 7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.355 -2.602 5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.135 -1.926 5.769 1.00 0.00 H new ATOM 767 N SER A 50 1.821 -4.748 6.065 1.00 0.00 N ATOM 768 CA SER A 50 2.471 -5.949 5.632 1.00 0.00 C ATOM 769 C SER A 50 1.463 -7.068 5.463 1.00 0.00 C ATOM 770 O SER A 50 1.331 -7.643 4.381 1.00 0.00 O ATOM 771 CB SER A 50 3.601 -6.310 6.572 1.00 0.00 C ATOM 772 OG SER A 50 3.259 -5.979 7.921 1.00 0.00 O ATOM 0 H SER A 50 1.844 -4.585 7.072 1.00 0.00 H new ATOM 0 HA SER A 50 2.920 -5.782 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.817 -7.376 6.497 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.507 -5.780 6.280 1.00 0.00 H new ATOM 0 HG SER A 50 3.453 -5.033 8.085 1.00 0.00 H new ATOM 778 N ASP A 51 0.692 -7.310 6.509 1.00 0.00 N ATOM 779 CA ASP A 51 -0.320 -8.362 6.522 1.00 0.00 C ATOM 780 C ASP A 51 -1.365 -8.151 5.435 1.00 0.00 C ATOM 781 O ASP A 51 -1.924 -9.091 4.963 1.00 0.00 O ATOM 782 CB ASP A 51 -1.010 -8.489 7.894 1.00 0.00 C ATOM 783 CG ASP A 51 -0.092 -8.974 9.000 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.227 -10.182 9.042 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.296 -8.162 9.872 1.00 0.00 O ATOM 0 H ASP A 51 0.748 -6.782 7.380 1.00 0.00 H new ATOM 0 HA ASP A 51 0.209 -9.294 6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.420 -7.519 8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.851 -9.177 7.805 1.00 0.00 H new ATOM 790 N LEU A 52 -1.578 -6.899 5.026 1.00 0.00 N ATOM 791 CA LEU A 52 -2.544 -6.539 3.972 1.00 0.00 C ATOM 792 C LEU A 52 -2.255 -7.249 2.694 1.00 0.00 C ATOM 793 O LEU A 52 -3.164 -7.647 1.981 1.00 0.00 O ATOM 794 CB LEU A 52 -2.503 -5.044 3.640 1.00 0.00 C ATOM 795 CG LEU A 52 -2.833 -4.067 4.737 1.00 0.00 C ATOM 796 CD1 LEU A 52 -2.857 -2.667 4.179 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.140 -4.427 5.406 1.00 0.00 C ATOM 0 H LEU A 52 -1.084 -6.096 5.416 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.518 -6.823 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.503 -4.810 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.193 -4.866 2.815 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.060 -4.116 5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.096 -1.962 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.880 -2.425 3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.613 -2.600 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.356 -3.706 6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.943 -4.410 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.065 -5.425 5.837 1.00 0.00 H new ATOM 809 N ILE A 53 -0.993 -7.405 2.421 1.00 0.00 N ATOM 810 CA ILE A 53 -0.557 -7.946 1.162 1.00 0.00 C ATOM 811 C ILE A 53 -0.702 -9.443 1.170 1.00 0.00 C ATOM 812 O ILE A 53 -1.077 -10.066 0.174 1.00 0.00 O ATOM 813 CB ILE A 53 0.916 -7.552 0.912 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.048 -6.027 0.989 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.407 -8.072 -0.444 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.464 -5.531 0.942 1.00 0.00 C ATOM 0 H ILE A 53 -0.237 -7.162 3.061 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.174 -7.540 0.360 1.00 0.00 H new ATOM 0 HB ILE A 53 1.540 -8.009 1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.491 -5.583 0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.583 -5.679 1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.447 -7.779 -0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.330 -9.159 -0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.794 -7.648 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.470 -4.443 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.022 -5.944 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.929 -5.846 0.008 1.00 0.00 H new ATOM 828 N TYR A 54 -0.485 -9.995 2.313 1.00 0.00 N ATOM 829 CA TYR A 54 -0.436 -11.405 2.467 1.00 0.00 C ATOM 830 C TYR A 54 -1.789 -12.000 2.859 1.00 0.00 C ATOM 831 O TYR A 54 -2.124 -13.119 2.461 1.00 0.00 O ATOM 832 CB TYR A 54 0.660 -11.744 3.467 1.00 0.00 C ATOM 833 CG TYR A 54 2.037 -11.278 3.012 1.00 0.00 C ATOM 834 CD1 TYR A 54 2.702 -11.917 1.974 1.00 0.00 C ATOM 835 CD2 TYR A 54 2.645 -10.173 3.592 1.00 0.00 C ATOM 836 CE1 TYR A 54 3.936 -11.472 1.537 1.00 0.00 C ATOM 837 CE2 TYR A 54 3.874 -9.712 3.158 1.00 0.00 C ATOM 838 CZ TYR A 54 4.518 -10.367 2.127 1.00 0.00 C ATOM 839 OH TYR A 54 5.742 -9.906 1.671 1.00 0.00 O ATOM 0 H TYR A 54 -0.335 -9.473 3.176 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.198 -11.861 1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.425 -11.285 4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.680 -12.822 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.248 -12.775 1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.146 -9.661 4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.444 -11.988 0.736 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.326 -8.847 3.621 1.00 0.00 H new ATOM 0 HH TYR A 54 6.011 -9.121 2.192 1.00 0.00 H new ATOM 849 N TYR A 55 -2.572 -11.248 3.589 1.00 0.00 N ATOM 850 CA TYR A 55 -3.844 -11.699 4.080 1.00 0.00 C ATOM 851 C TYR A 55 -4.910 -10.626 3.881 1.00 0.00 C ATOM 852 O TYR A 55 -4.653 -9.424 4.069 1.00 0.00 O ATOM 853 CB TYR A 55 -3.772 -12.019 5.589 1.00 0.00 C ATOM 854 CG TYR A 55 -2.801 -13.110 5.969 1.00 0.00 C ATOM 855 CD1 TYR A 55 -3.166 -14.438 5.884 1.00 0.00 C ATOM 856 CD2 TYR A 55 -1.523 -12.808 6.416 1.00 0.00 C ATOM 857 CE1 TYR A 55 -2.289 -15.440 6.229 1.00 0.00 C ATOM 858 CE2 TYR A 55 -0.641 -13.806 6.762 1.00 0.00 C ATOM 859 CZ TYR A 55 -1.030 -15.122 6.668 1.00 0.00 C ATOM 860 OH TYR A 55 -0.146 -16.131 7.003 1.00 0.00 O ATOM 0 H TYR A 55 -2.339 -10.293 3.861 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.103 -12.598 3.520 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.499 -11.109 6.124 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.767 -12.304 5.931 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.157 -14.695 5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.216 -11.775 6.494 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.591 -16.474 6.154 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.352 -13.557 7.106 1.00 0.00 H new ATOM 0 HH TYR A 55 0.703 -15.738 7.294 1.00 0.00 H new ATOM 870 N PRO A 56 -6.099 -11.027 3.453 1.00 0.00 N ATOM 871 CA PRO A 56 -7.253 -10.150 3.423 1.00 0.00 C ATOM 872 C PRO A 56 -7.698 -9.863 4.870 1.00 0.00 C ATOM 873 O PRO A 56 -7.559 -10.727 5.745 1.00 0.00 O ATOM 874 CB PRO A 56 -8.308 -10.973 2.668 1.00 0.00 C ATOM 875 CG PRO A 56 -7.889 -12.387 2.839 1.00 0.00 C ATOM 876 CD PRO A 56 -6.396 -12.363 2.928 1.00 0.00 C ATOM 0 HA PRO A 56 -7.072 -9.185 2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.305 -10.805 3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.344 -10.697 1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.327 -12.818 3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.221 -12.997 1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.022 -13.145 3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.934 -12.522 1.953 1.00 0.00 H new ATOM 884 N ARG A 57 -8.194 -8.670 5.136 1.00 0.00 N ATOM 885 CA ARG A 57 -8.550 -8.314 6.503 1.00 0.00 C ATOM 886 C ARG A 57 -9.883 -8.837 6.948 1.00 0.00 C ATOM 887 O ARG A 57 -9.988 -9.915 7.530 1.00 0.00 O ATOM 888 CB ARG A 57 -8.496 -6.821 6.764 1.00 0.00 C ATOM 889 CG ARG A 57 -7.121 -6.218 6.906 1.00 0.00 C ATOM 890 CD ARG A 57 -7.256 -4.759 7.304 1.00 0.00 C ATOM 891 NE ARG A 57 -7.954 -4.609 8.578 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.875 -3.675 8.864 1.00 0.00 C ATOM 893 NH1 ARG A 57 -9.291 -2.808 7.929 1.00 0.00 N ATOM 894 NH2 ARG A 57 -9.420 -3.652 10.076 1.00 0.00 N ATOM 0 H ARG A 57 -8.359 -7.941 4.442 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.781 -8.808 7.096 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.010 -6.312 5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.057 -6.612 7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.548 -6.761 7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.575 -6.302 5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.266 -4.308 7.376 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.796 -4.218 6.527 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.721 -5.273 9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.907 -2.853 6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.991 -2.104 8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.137 -4.339 10.775 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.121 -2.948 10.307 1.00 0.00 H new ATOM 908 N ASP A 58 -10.880 -8.075 6.675 1.00 0.00 N ATOM 909 CA ASP A 58 -12.198 -8.354 7.181 1.00 0.00 C ATOM 910 C ASP A 58 -13.180 -8.582 6.088 1.00 0.00 C ATOM 911 O ASP A 58 -13.809 -9.643 6.002 1.00 0.00 O ATOM 912 CB ASP A 58 -12.668 -7.213 8.078 1.00 0.00 C ATOM 913 CG ASP A 58 -13.968 -7.511 8.778 1.00 0.00 C ATOM 914 OD1 ASP A 58 -15.048 -7.195 8.246 1.00 0.00 O ATOM 915 OD2 ASP A 58 -13.917 -8.044 9.899 1.00 0.00 O ATOM 0 H ASP A 58 -10.817 -7.238 6.096 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.137 -9.274 7.763 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.900 -7.004 8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.784 -6.310 7.478 1.00 0.00 H new ATOM 920 N ASP A 59 -13.323 -7.609 5.260 1.00 0.00 N ATOM 921 CA ASP A 59 -14.287 -7.683 4.183 1.00 0.00 C ATOM 922 C ASP A 59 -13.575 -7.538 2.861 1.00 0.00 C ATOM 923 O ASP A 59 -14.059 -7.988 1.815 1.00 0.00 O ATOM 924 CB ASP A 59 -15.305 -6.545 4.355 1.00 0.00 C ATOM 925 CG ASP A 59 -16.440 -6.558 3.351 1.00 0.00 C ATOM 926 OD1 ASP A 59 -16.283 -6.014 2.233 1.00 0.00 O ATOM 927 OD2 ASP A 59 -17.531 -7.073 3.685 1.00 0.00 O ATOM 0 H ASP A 59 -12.789 -6.741 5.295 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.802 -8.644 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.725 -6.599 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.781 -5.592 4.280 1.00 0.00 H new ATOM 932 N ARG A 60 -12.374 -7.011 2.939 1.00 0.00 N ATOM 933 CA ARG A 60 -11.641 -6.583 1.793 1.00 0.00 C ATOM 934 C ARG A 60 -11.129 -7.721 0.892 1.00 0.00 C ATOM 935 O ARG A 60 -10.708 -8.793 1.359 1.00 0.00 O ATOM 936 CB ARG A 60 -10.559 -5.645 2.268 1.00 0.00 C ATOM 937 CG ARG A 60 -9.691 -5.054 1.218 1.00 0.00 C ATOM 938 CD ARG A 60 -8.433 -5.867 0.988 1.00 0.00 C ATOM 939 NE ARG A 60 -7.630 -6.064 2.196 1.00 0.00 N ATOM 940 CZ ARG A 60 -6.582 -6.898 2.272 1.00 0.00 C ATOM 941 NH1 ARG A 60 -6.241 -7.649 1.223 1.00 0.00 N ATOM 942 NH2 ARG A 60 -5.892 -6.989 3.396 1.00 0.00 N ATOM 0 H ARG A 60 -11.880 -6.870 3.820 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.317 -6.056 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.030 -4.832 2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.925 -6.183 2.973 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.250 -4.982 0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.418 -4.039 1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.709 -6.841 0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.823 -5.370 0.234 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.883 -5.535 3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.778 -7.591 0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.443 -8.281 1.286 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.157 -6.426 4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.095 -7.623 3.455 1.00 0.00 H new ATOM 956 N GLU A 61 -11.172 -7.436 -0.395 1.00 0.00 N ATOM 957 CA GLU A 61 -10.789 -8.332 -1.471 1.00 0.00 C ATOM 958 C GLU A 61 -9.263 -8.586 -1.511 1.00 0.00 C ATOM 959 O GLU A 61 -8.451 -7.685 -1.285 1.00 0.00 O ATOM 960 CB GLU A 61 -11.254 -7.704 -2.782 1.00 0.00 C ATOM 961 CG GLU A 61 -11.004 -8.546 -4.025 1.00 0.00 C ATOM 962 CD GLU A 61 -11.618 -9.918 -3.917 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.813 -10.079 -4.235 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.925 -10.855 -3.506 1.00 0.00 O ATOM 0 H GLU A 61 -11.490 -6.529 -0.736 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.258 -9.303 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.322 -7.499 -2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.752 -6.744 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.413 -8.035 -4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.930 -8.642 -4.187 1.00 0.00 H new ATOM 971 N ASP A 62 -8.889 -9.793 -1.837 1.00 0.00 N ATOM 972 CA ASP A 62 -7.486 -10.173 -1.911 1.00 0.00 C ATOM 973 C ASP A 62 -6.978 -9.976 -3.346 1.00 0.00 C ATOM 974 O ASP A 62 -6.894 -10.924 -4.134 1.00 0.00 O ATOM 975 CB ASP A 62 -7.291 -11.646 -1.449 1.00 0.00 C ATOM 976 CG ASP A 62 -5.834 -12.119 -1.408 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.275 -12.473 -2.461 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.242 -12.187 -0.300 1.00 0.00 O ATOM 0 H ASP A 62 -9.539 -10.547 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.907 -9.537 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.724 -11.761 -0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.852 -12.299 -2.118 1.00 0.00 H new ATOM 983 N SER A 63 -6.774 -8.738 -3.733 1.00 0.00 N ATOM 984 CA SER A 63 -6.234 -8.446 -5.037 1.00 0.00 C ATOM 985 C SER A 63 -5.351 -7.213 -4.914 1.00 0.00 C ATOM 986 O SER A 63 -5.561 -6.433 -3.989 1.00 0.00 O ATOM 987 CB SER A 63 -7.402 -8.195 -6.010 1.00 0.00 C ATOM 988 OG SER A 63 -8.218 -7.125 -5.550 1.00 0.00 O ATOM 0 H SER A 63 -6.975 -7.917 -3.161 1.00 0.00 H new ATOM 0 HA SER A 63 -5.639 -9.276 -5.418 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.013 -7.962 -7.001 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.001 -9.100 -6.108 1.00 0.00 H new ATOM 0 HG SER A 63 -8.529 -6.598 -6.316 1.00 0.00 H new ATOM 994 N PRO A 64 -4.332 -7.008 -5.804 1.00 0.00 N ATOM 995 CA PRO A 64 -3.497 -5.788 -5.785 1.00 0.00 C ATOM 996 C PRO A 64 -4.371 -4.507 -5.833 1.00 0.00 C ATOM 997 O PRO A 64 -3.991 -3.462 -5.330 1.00 0.00 O ATOM 998 CB PRO A 64 -2.613 -5.934 -7.058 1.00 0.00 C ATOM 999 CG PRO A 64 -2.546 -7.398 -7.289 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.878 -7.963 -6.845 1.00 0.00 C ATOM 0 HA PRO A 64 -2.905 -5.689 -4.875 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.053 -5.416 -7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.621 -5.509 -6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.363 -7.617 -8.341 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.728 -7.843 -6.723 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.585 -8.020 -7.672 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.773 -8.972 -6.445 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.555 -4.632 -6.398 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.503 -3.540 -6.458 1.00 0.00 C ATOM 1010 C GLU A 65 -7.259 -3.405 -5.128 1.00 0.00 C ATOM 1011 O GLU A 65 -7.352 -2.301 -4.555 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.484 -3.779 -7.587 1.00 0.00 C ATOM 1013 CG GLU A 65 -6.850 -3.862 -8.956 1.00 0.00 C ATOM 1014 CD GLU A 65 -7.839 -4.268 -9.997 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.637 -3.429 -10.427 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -7.849 -5.444 -10.398 1.00 0.00 O ATOM 0 H GLU A 65 -5.886 -5.495 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.958 -2.614 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.024 -4.706 -7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.220 -2.975 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.422 -2.895 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.029 -4.579 -8.934 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.777 -4.529 -4.634 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.546 -4.546 -3.409 1.00 0.00 C ATOM 1025 C GLY A 66 -7.725 -4.196 -2.200 1.00 0.00 C ATOM 1026 O GLY A 66 -8.239 -3.623 -1.248 1.00 0.00 O ATOM 0 H GLY A 66 -7.672 -5.443 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.374 -3.843 -3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.981 -5.536 -3.273 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.450 -4.540 -2.229 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.541 -4.186 -1.154 1.00 0.00 C ATOM 1032 C ILE A 67 -5.468 -2.674 -1.019 1.00 0.00 C ATOM 1033 O ILE A 67 -5.615 -2.156 0.053 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.125 -4.803 -1.350 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.211 -6.329 -1.239 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -3.128 -4.248 -0.323 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.919 -7.040 -1.543 1.00 0.00 C ATOM 0 H ILE A 67 -6.019 -5.067 -2.989 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.935 -4.608 -0.229 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.764 -4.531 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.530 -6.592 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.981 -6.690 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.149 -4.698 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.053 -3.166 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.473 -4.485 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.063 -8.116 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.608 -6.809 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.149 -6.710 -0.845 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.333 -1.985 -2.132 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.289 -0.518 -2.149 1.00 0.00 C ATOM 1051 C VAL A 68 -6.583 0.068 -1.583 1.00 0.00 C ATOM 1052 O VAL A 68 -6.570 1.090 -0.883 1.00 0.00 O ATOM 1053 CB VAL A 68 -5.030 -0.001 -3.583 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.152 1.517 -3.687 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.661 -0.415 -3.988 1.00 0.00 C ATOM 0 H VAL A 68 -5.250 -2.414 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.465 -0.190 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.786 -0.429 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.961 1.828 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.157 1.822 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.425 1.987 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.457 -0.060 -4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.933 0.013 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.588 -1.502 -3.964 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.680 -0.615 -1.844 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.969 -0.217 -1.340 1.00 0.00 C ATOM 1067 C LYS A 69 -8.988 -0.244 0.180 1.00 0.00 C ATOM 1068 O LYS A 69 -9.629 0.597 0.811 1.00 0.00 O ATOM 1069 CB LYS A 69 -10.036 -1.122 -1.860 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.404 -0.597 -1.568 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.120 -0.218 -2.833 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.456 0.964 -3.554 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.184 1.318 -4.795 1.00 0.00 N ATOM 0 H LYS A 69 -7.697 -1.462 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.159 0.801 -1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.916 -1.243 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.923 -2.110 -1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.980 -1.352 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.331 0.272 -0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.148 -1.078 -3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.153 0.038 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.426 1.827 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.424 0.711 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.711 2.120 -5.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.191 0.501 -5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.162 1.582 -4.560 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.262 -1.190 0.753 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.135 -1.314 2.192 1.00 0.00 C ATOM 1089 C GLU A 70 -7.514 -0.033 2.728 1.00 0.00 C ATOM 1090 O GLU A 70 -8.120 0.659 3.536 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.225 -2.489 2.529 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.126 -2.814 3.995 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.374 -3.430 4.536 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.566 -4.651 4.337 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.144 -2.746 5.215 1.00 0.00 O ATOM 0 H GLU A 70 -7.743 -1.895 0.229 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.115 -1.481 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.584 -3.371 2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.225 -2.276 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.291 -3.495 4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.906 -1.903 4.551 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.333 0.305 2.186 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.574 1.502 2.566 1.00 0.00 C ATOM 1104 C ILE A 71 -6.454 2.752 2.427 1.00 0.00 C ATOM 1105 O ILE A 71 -6.468 3.627 3.297 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.276 1.694 1.670 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.190 0.636 1.906 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.649 3.043 1.902 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -3.517 -0.758 1.536 1.00 0.00 C ATOM 0 H ILE A 71 -5.876 -0.252 1.464 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.264 1.367 3.602 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.637 1.593 0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.301 0.934 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.926 0.652 2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.763 3.145 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.365 3.825 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.365 3.137 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.665 -1.402 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.381 -1.094 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.747 -0.808 0.472 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.176 2.809 1.335 1.00 0.00 N ATOM 1122 CA LYS A 72 -8.044 3.880 0.998 1.00 0.00 C ATOM 1123 C LYS A 72 -9.135 4.081 2.068 1.00 0.00 C ATOM 1124 O LYS A 72 -9.200 5.135 2.713 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.674 3.476 -0.308 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.595 4.444 -0.910 1.00 0.00 C ATOM 1127 CD LYS A 72 -10.563 3.737 -1.753 1.00 0.00 C ATOM 1128 CE LYS A 72 -11.497 4.708 -2.354 1.00 0.00 C ATOM 1129 NZ LYS A 72 -12.269 5.454 -1.330 1.00 0.00 N ATOM 0 H LYS A 72 -7.165 2.069 0.633 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.501 4.822 0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.878 3.271 -1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.213 2.541 -0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.114 5.002 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.040 5.169 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.044 3.184 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.113 3.007 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.938 5.413 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.187 4.184 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.252 5.566 -1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.254 4.928 -0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.842 6.392 -1.188 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.921 3.045 2.299 1.00 0.00 N ATOM 1144 CA GLU A 73 -11.057 3.119 3.210 1.00 0.00 C ATOM 1145 C GLU A 73 -10.600 3.270 4.655 1.00 0.00 C ATOM 1146 O GLU A 73 -11.269 3.911 5.474 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.935 1.875 3.053 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.506 1.695 1.650 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.407 2.828 1.235 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.626 2.756 1.507 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.929 3.809 0.641 1.00 0.00 O ATOM 0 H GLU A 73 -9.794 2.131 1.864 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.642 4.003 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.349 0.993 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.758 1.931 3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.686 1.610 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.064 0.759 1.607 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.464 2.694 4.952 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.894 2.730 6.273 1.00 0.00 C ATOM 1160 C TRP A 74 -8.402 4.142 6.595 1.00 0.00 C ATOM 1161 O TRP A 74 -8.771 4.715 7.625 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.753 1.723 6.326 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.118 1.505 7.653 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.525 0.645 8.621 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.934 2.122 8.136 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.658 0.680 9.673 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.672 1.580 9.402 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.068 3.079 7.616 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.578 1.958 10.152 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.986 3.460 8.358 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.742 2.902 9.608 1.00 0.00 C ATOM 0 H TRP A 74 -8.902 2.180 4.274 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.643 2.467 7.020 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.127 0.765 5.966 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.981 2.046 5.628 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.407 0.024 8.566 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.735 0.123 10.524 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.248 3.513 6.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.387 1.530 11.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.310 4.206 7.968 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.873 3.219 10.165 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.636 4.744 5.686 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.069 6.063 5.949 1.00 0.00 C ATOM 1184 C ARG A 75 -8.130 7.125 5.987 1.00 0.00 C ATOM 1185 O ARG A 75 -8.071 8.035 6.821 1.00 0.00 O ATOM 1186 CB ARG A 75 -6.009 6.432 4.949 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.761 5.588 5.036 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.755 6.082 4.055 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.335 6.150 2.721 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.975 7.008 1.772 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.969 7.864 1.972 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.634 7.032 0.638 1.00 0.00 N ATOM 0 H ARG A 75 -7.398 4.347 4.777 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.602 6.004 6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.425 6.344 3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.738 7.478 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.351 5.630 6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.001 4.544 4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.400 7.068 4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.889 5.420 4.048 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.077 5.486 2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.468 7.864 2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.702 8.518 1.236 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.417 6.395 0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.364 7.688 -0.095 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.116 6.990 5.124 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.229 7.925 5.075 1.00 0.00 C ATOM 1208 C ALA A 76 -11.052 7.863 6.363 1.00 0.00 C ATOM 1209 O ALA A 76 -11.681 8.838 6.753 1.00 0.00 O ATOM 1210 CB ALA A 76 -11.109 7.644 3.869 1.00 0.00 C ATOM 0 H ALA A 76 -9.172 6.236 4.440 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.821 8.931 4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.936 8.353 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.521 7.747 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.502 6.630 3.934 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.014 6.719 7.033 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.756 6.533 8.258 1.00 0.00 C ATOM 1218 C ALA A 77 -10.958 7.092 9.392 1.00 0.00 C ATOM 1219 O ALA A 77 -11.477 7.750 10.287 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.058 5.068 8.494 1.00 0.00 C ATOM 0 H ALA A 77 -10.472 5.906 6.741 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.710 7.056 8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.617 4.957 9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.650 4.681 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.124 4.511 8.564 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.667 6.831 9.324 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.717 7.282 10.306 1.00 0.00 C ATOM 1228 C ASN A 78 -8.604 8.794 10.334 1.00 0.00 C ATOM 1229 O ASN A 78 -8.342 9.387 11.379 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.333 6.682 10.050 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.116 5.243 10.514 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.001 4.893 10.873 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.130 4.409 10.494 1.00 0.00 N ATOM 0 H ASN A 78 -9.248 6.289 8.568 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.088 6.943 11.273 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.134 6.729 8.979 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.592 7.314 10.540 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.999 3.440 10.783 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.049 4.730 10.189 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.810 9.409 9.195 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.672 10.837 9.096 1.00 0.00 C ATOM 1242 C GLY A 79 -7.296 11.193 8.595 1.00 0.00 C ATOM 1243 O GLY A 79 -6.768 12.276 8.868 1.00 0.00 O ATOM 0 H GLY A 79 -9.073 8.942 8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.428 11.237 8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.842 11.295 10.071 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.729 10.278 7.853 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.418 10.403 7.315 1.00 0.00 C ATOM 1249 C LYS A 80 -5.463 11.025 5.928 1.00 0.00 C ATOM 1250 O LYS A 80 -6.493 11.575 5.520 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.782 9.033 7.279 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.387 8.515 8.650 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.957 7.073 8.586 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.186 6.653 9.835 1.00 0.00 C ATOM 1255 NZ LYS A 80 -3.971 6.715 11.089 1.00 0.00 N ATOM 0 H LYS A 80 -7.189 9.402 7.604 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.820 11.063 7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.477 8.330 6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.897 9.068 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.575 9.122 9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.228 8.616 9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.835 6.437 8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.333 6.919 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.824 5.634 9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.309 7.292 9.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.361 6.464 11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.339 7.679 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.765 6.046 11.035 1.00 0.00 H new ATOM 1269 N SER A 81 -4.364 10.943 5.228 1.00 0.00 N ATOM 1270 CA SER A 81 -4.234 11.514 3.914 1.00 0.00 C ATOM 1271 C SER A 81 -4.871 10.582 2.860 1.00 0.00 C ATOM 1272 O SER A 81 -5.391 9.504 3.194 1.00 0.00 O ATOM 1273 CB SER A 81 -2.741 11.704 3.640 1.00 0.00 C ATOM 1274 OG SER A 81 -2.492 12.518 2.496 1.00 0.00 O ATOM 0 H SER A 81 -3.522 10.471 5.558 1.00 0.00 H new ATOM 0 HA SER A 81 -4.751 12.472 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.270 12.157 4.513 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.275 10.729 3.496 1.00 0.00 H new ATOM 0 HG SER A 81 -1.525 12.610 2.364 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.812 10.997 1.614 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.338 10.225 0.526 1.00 0.00 C ATOM 1282 C GLY A 82 -4.246 9.934 -0.474 1.00 0.00 C ATOM 1283 O GLY A 82 -3.063 9.911 -0.108 1.00 0.00 O ATOM 0 H GLY A 82 -4.395 11.884 1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.758 9.291 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.150 10.768 0.043 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.615 9.622 -1.685 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.676 9.458 -2.742 1.00 0.00 C ATOM 1289 C PHE A 83 -3.806 10.659 -3.622 1.00 0.00 C ATOM 1290 O PHE A 83 -4.723 11.492 -3.423 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.997 8.224 -3.600 1.00 0.00 C ATOM 1292 CG PHE A 83 -4.098 6.924 -2.858 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.987 6.397 -2.249 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.305 6.233 -2.769 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -3.063 5.207 -1.559 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.387 5.041 -2.081 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.265 4.528 -1.475 1.00 0.00 C ATOM 0 H PHE A 83 -5.586 9.475 -1.961 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.678 9.337 -2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.940 8.400 -4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.227 8.126 -4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.044 6.920 -2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.187 6.636 -3.245 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.182 4.803 -1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.327 4.513 -2.019 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.322 3.595 -0.934 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.934 10.781 -4.571 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.086 11.789 -5.552 1.00 0.00 C ATOM 1309 C LYS A 84 -4.142 11.300 -6.507 1.00 0.00 C ATOM 1310 O LYS A 84 -4.248 10.093 -6.775 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.762 12.080 -6.255 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.797 13.220 -7.262 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.399 13.546 -7.765 1.00 0.00 C ATOM 1314 CE LYS A 84 0.199 12.411 -8.577 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.611 12.650 -8.905 1.00 0.00 N ATOM 0 H LYS A 84 -2.110 10.190 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.391 12.735 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.011 12.308 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.435 11.175 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.436 12.948 -8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.237 14.104 -6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.436 14.447 -8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.249 13.763 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.110 11.480 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.370 12.286 -9.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.831 12.220 -9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.788 13.674 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.214 12.226 -8.172 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.941 12.187 -6.948 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.030 11.865 -7.797 1.00 0.00 C ATOM 1331 C GLN A 85 -6.057 12.827 -8.955 1.00 0.00 C ATOM 1332 O GLN A 85 -5.962 14.046 -8.764 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.307 11.874 -6.953 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.474 13.127 -6.103 1.00 0.00 C ATOM 1335 CD GLN A 85 -8.452 12.939 -4.974 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -9.648 13.191 -5.104 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.946 12.495 -3.851 1.00 0.00 N ATOM 0 H GLN A 85 -4.861 13.180 -6.729 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.934 10.870 -8.232 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.169 11.777 -7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.306 11.001 -6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.505 13.415 -5.695 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.810 13.948 -6.736 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.947 12.298 -3.784 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.550 12.346 -3.043 1.00 0.00 H new ATOM 1346 N GLY A 86 -6.092 12.300 -10.138 1.00 0.00 N ATOM 1347 CA GLY A 86 -6.074 13.127 -11.297 1.00 0.00 C ATOM 1348 C GLY A 86 -5.322 12.469 -12.408 1.00 0.00 C ATOM 1349 O GLY A 86 -4.469 11.593 -12.121 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.506 12.849 -13.566 1.00 0.00 O ATOM 0 H GLY A 86 -6.133 11.298 -10.324 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.095 13.335 -11.617 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.613 14.086 -11.058 1.00 0.00 H new