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= 0.35 K(o=1.3,f=-14!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -176:sc= 0.952 (180deg=-0.272) USER MOD Set 2.1: A 5 HIS : no HE2:sc= 0.882 K(o=1.4,f=-5.2!) USER MOD Set 2.2: A 6 SER OG : rot -113:sc= 0.521 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -38:sc= 0.311 USER MOD Single : A 10 TYR OH : rot 113:sc= 0.246 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.767! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.691) USER MOD Single : A 23 CYS SG : rot 64:sc= 0.994 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 34 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ -121:sc= 1.18 (180deg=-0.193) USER MOD Single : A 44 THR OG1 : rot 140:sc= 0.104 USER MOD Single : A 46 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-8.1!) USER MOD Single : A 50 SER OG : rot 100:sc= -0.373 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 180:sc= 0.813 USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 1.34 (180deg=1.22) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= -0.0177 (180deg=-0.131) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0423 USER MOD Single : A 84 LYS NZ :NH3+ 158:sc= 1.23 (180deg=0.111) USER MOD Single : A 85 GLN : amide:sc=0.000738 X(o=0.00074,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 8.981 10.465 -5.065 1.00 0.00 N ATOM 36 CA LYS A 4 7.890 10.873 -4.238 1.00 0.00 C ATOM 37 C LYS A 4 8.350 11.488 -2.932 1.00 0.00 C ATOM 38 O LYS A 4 9.353 11.078 -2.354 1.00 0.00 O ATOM 39 CB LYS A 4 6.905 9.717 -3.998 1.00 0.00 C ATOM 40 CG LYS A 4 7.525 8.299 -3.987 1.00 0.00 C ATOM 41 CD LYS A 4 8.599 8.055 -2.937 1.00 0.00 C ATOM 42 CE LYS A 4 8.119 8.187 -1.501 1.00 0.00 C ATOM 43 NZ LYS A 4 9.170 7.766 -0.551 1.00 0.00 N ATOM 0 HA LYS A 4 7.361 11.656 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.405 9.882 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.137 9.752 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.725 7.574 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.953 8.102 -4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.008 7.055 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.415 8.759 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.836 9.221 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.226 7.579 -1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.818 7.865 0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.421 6.772 -0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.012 8.364 -0.677 1.00 0.00 H new ATOM 57 N HIS A 5 7.628 12.469 -2.494 1.00 0.00 N ATOM 58 CA HIS A 5 7.914 13.131 -1.246 1.00 0.00 C ATOM 59 C HIS A 5 7.038 12.537 -0.133 1.00 0.00 C ATOM 60 O HIS A 5 7.425 12.513 1.030 1.00 0.00 O ATOM 61 CB HIS A 5 7.683 14.670 -1.384 1.00 0.00 C ATOM 62 CG HIS A 5 6.259 15.052 -1.690 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.636 14.771 -2.881 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.309 15.590 -0.895 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.369 15.104 -2.778 1.00 0.00 C ATOM 66 NE2 HIS A 5 4.102 15.619 -1.591 1.00 0.00 N ATOM 0 H HIS A 5 6.817 12.841 -2.989 1.00 0.00 H new ATOM 0 HA HIS A 5 8.960 12.972 -0.984 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.988 15.157 -0.458 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.329 15.054 -2.173 1.00 0.00 H new ATOM 0 HD1 HIS A 5 6.082 14.371 -3.707 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.460 15.941 0.115 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.639 14.973 -3.563 1.00 0.00 H new ATOM 74 N SER A 6 5.884 12.012 -0.505 1.00 0.00 N ATOM 75 CA SER A 6 4.936 11.499 0.456 1.00 0.00 C ATOM 76 C SER A 6 4.128 10.375 -0.165 1.00 0.00 C ATOM 77 O SER A 6 4.372 9.995 -1.325 1.00 0.00 O ATOM 78 CB SER A 6 3.988 12.625 0.828 1.00 0.00 C ATOM 79 OG SER A 6 3.276 13.065 -0.325 1.00 0.00 O ATOM 0 H SER A 6 5.583 11.931 -1.476 1.00 0.00 H new ATOM 0 HA SER A 6 5.464 11.123 1.332 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.287 12.284 1.590 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.548 13.455 1.258 1.00 0.00 H new ATOM 0 HG SER A 6 3.551 13.978 -0.551 1.00 0.00 H new ATOM 85 N ILE A 7 3.162 9.853 0.591 1.00 0.00 N ATOM 86 CA ILE A 7 2.245 8.865 0.072 1.00 0.00 C ATOM 87 C ILE A 7 1.276 9.529 -0.915 1.00 0.00 C ATOM 88 O ILE A 7 0.858 8.924 -1.886 1.00 0.00 O ATOM 89 CB ILE A 7 1.443 8.131 1.195 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.617 6.993 0.588 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.562 9.093 1.986 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.148 6.182 1.590 1.00 0.00 C ATOM 0 H ILE A 7 3.002 10.105 1.566 1.00 0.00 H new ATOM 0 HA ILE A 7 2.842 8.108 -0.436 1.00 0.00 H new ATOM 0 HB ILE A 7 2.158 7.708 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.084 7.413 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.284 6.331 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.022 8.542 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.185 9.855 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.151 9.570 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.705 5.399 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.546 5.729 2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.843 6.828 2.127 1.00 0.00 H new ATOM 104 N SER A 8 0.986 10.809 -0.691 1.00 0.00 N ATOM 105 CA SER A 8 0.059 11.546 -1.525 1.00 0.00 C ATOM 106 C SER A 8 0.749 12.004 -2.817 1.00 0.00 C ATOM 107 O SER A 8 0.193 12.780 -3.596 1.00 0.00 O ATOM 108 CB SER A 8 -0.535 12.731 -0.743 1.00 0.00 C ATOM 109 OG SER A 8 -1.610 13.362 -1.439 1.00 0.00 O ATOM 0 H SER A 8 1.388 11.355 0.071 1.00 0.00 H new ATOM 0 HA SER A 8 -0.765 10.891 -1.808 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.890 12.381 0.226 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.248 13.464 -0.550 1.00 0.00 H new ATOM 0 HG SER A 8 -1.410 13.384 -2.398 1.00 0.00 H new ATOM 115 N ASP A 9 1.981 11.563 -3.010 1.00 0.00 N ATOM 116 CA ASP A 9 2.676 11.754 -4.282 1.00 0.00 C ATOM 117 C ASP A 9 2.318 10.562 -5.181 1.00 0.00 C ATOM 118 O ASP A 9 2.488 10.583 -6.397 1.00 0.00 O ATOM 119 CB ASP A 9 4.189 11.807 -4.059 1.00 0.00 C ATOM 120 CG ASP A 9 4.993 12.267 -5.279 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.105 11.539 -6.262 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.561 13.369 -5.236 1.00 0.00 O ATOM 0 H ASP A 9 2.525 11.069 -2.303 1.00 0.00 H new ATOM 0 HA ASP A 9 2.374 12.693 -4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.398 12.479 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.535 10.817 -3.763 1.00 0.00 H new ATOM 127 N TYR A 10 1.816 9.518 -4.559 1.00 0.00 N ATOM 128 CA TYR A 10 1.359 8.349 -5.264 1.00 0.00 C ATOM 129 C TYR A 10 -0.090 8.520 -5.568 1.00 0.00 C ATOM 130 O TYR A 10 -0.852 8.933 -4.699 1.00 0.00 O ATOM 131 CB TYR A 10 1.491 7.085 -4.408 1.00 0.00 C ATOM 132 CG TYR A 10 2.883 6.575 -4.147 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.737 7.196 -3.247 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.336 5.432 -4.789 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.970 6.703 -3.007 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.586 4.929 -4.541 1.00 0.00 C ATOM 137 CZ TYR A 10 5.401 5.570 -3.648 1.00 0.00 C ATOM 138 OH TYR A 10 6.663 5.081 -3.395 1.00 0.00 O ATOM 0 H TYR A 10 1.714 9.459 -3.546 1.00 0.00 H new ATOM 0 HA TYR A 10 1.965 8.240 -6.164 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.015 7.277 -3.446 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.924 6.289 -4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.410 8.087 -2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.692 4.930 -5.496 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.621 7.204 -2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.925 4.036 -5.045 1.00 0.00 H new ATOM 0 HH TYR A 10 6.593 4.220 -2.933 1.00 0.00 H new ATOM 148 N THR A 11 -0.485 8.242 -6.778 1.00 0.00 N ATOM 149 CA THR A 11 -1.883 8.236 -7.090 1.00 0.00 C ATOM 150 C THR A 11 -2.449 6.935 -6.559 1.00 0.00 C ATOM 151 O THR A 11 -1.678 6.067 -6.082 1.00 0.00 O ATOM 152 CB THR A 11 -2.127 8.302 -8.621 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.456 7.213 -9.264 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.646 9.616 -9.215 1.00 0.00 C ATOM 0 H THR A 11 0.135 8.019 -7.556 1.00 0.00 H new ATOM 0 HA THR A 11 -2.360 9.107 -6.641 1.00 0.00 H new ATOM 0 HB THR A 11 -3.202 8.232 -8.788 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.613 7.256 -10.230 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.835 9.621 -10.288 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.180 10.443 -8.748 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.577 9.727 -9.035 1.00 0.00 H new ATOM 162 N GLU A 12 -3.753 6.769 -6.647 1.00 0.00 N ATOM 163 CA GLU A 12 -4.374 5.522 -6.255 1.00 0.00 C ATOM 164 C GLU A 12 -3.752 4.390 -7.091 1.00 0.00 C ATOM 165 O GLU A 12 -3.464 3.323 -6.589 1.00 0.00 O ATOM 166 CB GLU A 12 -5.878 5.587 -6.501 1.00 0.00 C ATOM 167 CG GLU A 12 -6.638 4.371 -6.023 1.00 0.00 C ATOM 168 CD GLU A 12 -8.062 4.385 -6.492 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.906 5.048 -5.882 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.365 3.730 -7.508 1.00 0.00 O ATOM 0 H GLU A 12 -4.401 7.480 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.208 5.339 -5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.278 6.470 -6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.055 5.715 -7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.145 3.469 -6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.614 4.332 -4.934 1.00 0.00 H new ATOM 177 N ALA A 13 -3.474 4.706 -8.347 1.00 0.00 N ATOM 178 CA ALA A 13 -2.891 3.770 -9.290 1.00 0.00 C ATOM 179 C ALA A 13 -1.424 3.457 -8.956 1.00 0.00 C ATOM 180 O ALA A 13 -1.043 2.297 -8.896 1.00 0.00 O ATOM 181 CB ALA A 13 -3.024 4.307 -10.702 1.00 0.00 C ATOM 0 H ALA A 13 -3.650 5.630 -8.742 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.440 2.831 -9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.584 3.598 -11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.078 4.446 -10.940 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.505 5.263 -10.778 1.00 0.00 H new ATOM 187 N GLU A 14 -0.613 4.494 -8.707 1.00 0.00 N ATOM 188 CA GLU A 14 0.822 4.305 -8.382 1.00 0.00 C ATOM 189 C GLU A 14 1.000 3.502 -7.118 1.00 0.00 C ATOM 190 O GLU A 14 1.931 2.696 -6.999 1.00 0.00 O ATOM 191 CB GLU A 14 1.551 5.641 -8.226 1.00 0.00 C ATOM 192 CG GLU A 14 1.610 6.499 -9.474 1.00 0.00 C ATOM 193 CD GLU A 14 2.262 5.795 -10.630 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.470 5.501 -10.560 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.569 5.497 -11.628 1.00 0.00 O ATOM 0 H GLU A 14 -0.915 5.468 -8.722 1.00 0.00 H new ATOM 0 HA GLU A 14 1.256 3.760 -9.221 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.063 6.212 -7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.570 5.443 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.599 6.793 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.159 7.415 -9.255 1.00 0.00 H new ATOM 202 N PHE A 15 0.122 3.713 -6.181 1.00 0.00 N ATOM 203 CA PHE A 15 0.188 2.999 -4.950 1.00 0.00 C ATOM 204 C PHE A 15 -0.358 1.612 -5.148 1.00 0.00 C ATOM 205 O PHE A 15 0.067 0.698 -4.532 1.00 0.00 O ATOM 206 CB PHE A 15 -0.523 3.727 -3.837 1.00 0.00 C ATOM 207 CG PHE A 15 -0.051 3.304 -2.483 1.00 0.00 C ATOM 208 CD1 PHE A 15 1.061 3.906 -1.919 1.00 0.00 C ATOM 209 CD2 PHE A 15 -0.708 2.321 -1.772 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.508 3.535 -0.674 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.264 1.949 -0.526 1.00 0.00 C ATOM 212 CZ PHE A 15 0.844 2.556 0.023 1.00 0.00 C ATOM 0 H PHE A 15 -0.649 4.377 -6.251 1.00 0.00 H new ATOM 0 HA PHE A 15 1.232 2.926 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.370 4.800 -3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.595 3.548 -3.917 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.584 4.677 -2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.577 1.841 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.378 4.011 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.785 1.179 0.024 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.191 2.262 1.003 1.00 0.00 H new ATOM 222 N LEU A 16 -1.296 1.467 -6.018 1.00 0.00 N ATOM 223 CA LEU A 16 -1.852 0.159 -6.324 1.00 0.00 C ATOM 224 C LEU A 16 -0.819 -0.684 -7.030 1.00 0.00 C ATOM 225 O LEU A 16 -0.862 -1.910 -7.010 1.00 0.00 O ATOM 226 CB LEU A 16 -3.122 0.349 -7.115 1.00 0.00 C ATOM 227 CG LEU A 16 -4.071 -0.777 -7.096 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.467 -0.279 -7.269 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.800 -1.736 -8.160 1.00 0.00 C ATOM 0 H LEU A 16 -1.710 2.236 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.114 -0.383 -5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.633 1.235 -6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.853 0.554 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.953 -1.272 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.158 -1.121 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.712 0.407 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.552 0.242 -8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.523 -2.550 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.880 -1.239 -9.127 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.793 -2.137 -8.041 1.00 0.00 H new ATOM 241 N GLU A 17 0.099 -0.042 -7.623 1.00 0.00 N ATOM 242 CA GLU A 17 1.215 -0.734 -8.155 1.00 0.00 C ATOM 243 C GLU A 17 2.220 -1.097 -7.058 1.00 0.00 C ATOM 244 O GLU A 17 3.004 -1.997 -7.255 1.00 0.00 O ATOM 245 CB GLU A 17 1.913 -0.023 -9.290 1.00 0.00 C ATOM 246 CG GLU A 17 1.109 0.099 -10.553 1.00 0.00 C ATOM 247 CD GLU A 17 1.966 0.569 -11.686 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.198 1.784 -11.810 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.450 -0.272 -12.463 1.00 0.00 O ATOM 0 H GLU A 17 0.109 0.969 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 17 0.798 -1.645 -8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.191 0.977 -8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.839 -0.553 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.666 -0.865 -10.802 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.286 0.797 -10.400 1.00 0.00 H new ATOM 256 N PHE A 18 2.171 -0.398 -5.887 1.00 0.00 N ATOM 257 CA PHE A 18 3.100 -0.687 -4.738 1.00 0.00 C ATOM 258 C PHE A 18 3.009 -2.132 -4.420 1.00 0.00 C ATOM 259 O PHE A 18 3.997 -2.844 -4.367 1.00 0.00 O ATOM 260 CB PHE A 18 2.757 0.160 -3.410 1.00 0.00 C ATOM 261 CG PHE A 18 2.027 -0.578 -2.189 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.633 -0.750 -2.132 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.756 -1.067 -1.117 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.019 -1.390 -1.043 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.142 -1.696 -0.044 1.00 0.00 C ATOM 266 CZ PHE A 18 0.781 -1.855 -0.010 1.00 0.00 C ATOM 0 H PHE A 18 1.511 0.359 -5.709 1.00 0.00 H new ATOM 0 HA PHE A 18 4.104 -0.397 -5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.692 0.575 -3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.132 1.002 -3.708 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.021 -0.382 -2.943 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.830 -0.956 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.054 -1.514 -1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.743 -2.065 0.774 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.313 -2.346 0.831 1.00 0.00 H new ATOM 276 N VAL A 19 1.804 -2.557 -4.314 1.00 0.00 N ATOM 277 CA VAL A 19 1.493 -3.865 -3.906 1.00 0.00 C ATOM 278 C VAL A 19 1.808 -4.874 -4.989 1.00 0.00 C ATOM 279 O VAL A 19 2.417 -5.889 -4.715 1.00 0.00 O ATOM 280 CB VAL A 19 0.031 -3.951 -3.406 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.959 -3.509 -4.447 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.288 -5.309 -2.844 1.00 0.00 C ATOM 0 H VAL A 19 0.986 -1.982 -4.516 1.00 0.00 H new ATOM 0 HA VAL A 19 2.131 -4.123 -3.061 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.064 -3.242 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.969 -3.589 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.759 -2.474 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.868 -4.144 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.323 -5.328 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.146 -6.065 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.374 -5.520 -2.004 1.00 0.00 H new ATOM 292 N LYS A 20 1.473 -4.549 -6.224 1.00 0.00 N ATOM 293 CA LYS A 20 1.735 -5.437 -7.341 1.00 0.00 C ATOM 294 C LYS A 20 3.255 -5.596 -7.541 1.00 0.00 C ATOM 295 O LYS A 20 3.751 -6.643 -7.981 1.00 0.00 O ATOM 296 CB LYS A 20 1.114 -4.892 -8.615 1.00 0.00 C ATOM 297 CG LYS A 20 -0.382 -4.741 -8.538 1.00 0.00 C ATOM 298 CD LYS A 20 -0.945 -4.394 -9.879 1.00 0.00 C ATOM 299 CE LYS A 20 -2.445 -4.226 -9.873 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.982 -3.997 -11.235 1.00 0.00 N ATOM 0 H LYS A 20 1.017 -3.673 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 20 1.291 -6.408 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.558 -3.922 -8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.362 -5.556 -9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.829 -5.668 -8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.638 -3.964 -7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.485 -3.471 -10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.677 -5.175 -10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.908 -5.115 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.714 -3.387 -9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.015 -3.887 -11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.560 -3.134 -11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.748 -4.809 -11.841 1.00 0.00 H new ATOM 314 N LYS A 21 3.978 -4.538 -7.207 1.00 0.00 N ATOM 315 CA LYS A 21 5.423 -4.500 -7.270 1.00 0.00 C ATOM 316 C LYS A 21 6.005 -5.378 -6.164 1.00 0.00 C ATOM 317 O LYS A 21 7.059 -5.981 -6.327 1.00 0.00 O ATOM 318 CB LYS A 21 5.906 -3.038 -7.150 1.00 0.00 C ATOM 319 CG LYS A 21 7.398 -2.830 -7.316 1.00 0.00 C ATOM 320 CD LYS A 21 7.766 -1.347 -7.366 1.00 0.00 C ATOM 321 CE LYS A 21 7.504 -0.621 -6.053 1.00 0.00 C ATOM 322 NZ LYS A 21 7.906 0.805 -6.136 1.00 0.00 N ATOM 0 H LYS A 21 3.564 -3.666 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 21 5.768 -4.891 -8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.387 -2.439 -7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.609 -2.654 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.925 -3.307 -6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.733 -3.318 -8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.820 -1.249 -7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.197 -0.864 -8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.445 -0.689 -5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.054 -1.110 -5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.171 1.147 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.718 0.900 -6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.111 1.369 -6.497 1.00 0.00 H new ATOM 336 N ILE A 22 5.294 -5.461 -5.055 1.00 0.00 N ATOM 337 CA ILE A 22 5.685 -6.322 -3.952 1.00 0.00 C ATOM 338 C ILE A 22 5.335 -7.772 -4.293 1.00 0.00 C ATOM 339 O ILE A 22 6.086 -8.687 -3.991 1.00 0.00 O ATOM 340 CB ILE A 22 5.011 -5.906 -2.613 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.396 -4.468 -2.268 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.433 -6.848 -1.484 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.722 -3.916 -1.046 1.00 0.00 C ATOM 0 H ILE A 22 4.434 -4.937 -4.893 1.00 0.00 H new ATOM 0 HA ILE A 22 6.761 -6.221 -3.812 1.00 0.00 H new ATOM 0 HB ILE A 22 3.929 -5.971 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.475 -4.419 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.158 -3.828 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.952 -6.541 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.133 -7.867 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.515 -6.808 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.055 -2.892 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.642 -3.927 -1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.979 -4.527 -0.181 1.00 0.00 H new ATOM 355 N CYS A 23 4.210 -7.966 -4.956 1.00 0.00 N ATOM 356 CA CYS A 23 3.789 -9.275 -5.411 1.00 0.00 C ATOM 357 C CYS A 23 4.867 -9.907 -6.322 1.00 0.00 C ATOM 358 O CYS A 23 5.163 -11.092 -6.215 1.00 0.00 O ATOM 359 CB CYS A 23 2.448 -9.163 -6.148 1.00 0.00 C ATOM 360 SG CYS A 23 1.075 -8.588 -5.120 1.00 0.00 S ATOM 0 H CYS A 23 3.561 -7.216 -5.194 1.00 0.00 H new ATOM 0 HA CYS A 23 3.659 -9.925 -4.546 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.566 -8.481 -6.990 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.192 -10.138 -6.562 1.00 0.00 H new ATOM 0 HG CYS A 23 1.309 -7.372 -4.724 1.00 0.00 H new ATOM 366 N ARG A 24 5.491 -9.082 -7.170 1.00 0.00 N ATOM 367 CA ARG A 24 6.547 -9.560 -8.067 1.00 0.00 C ATOM 368 C ARG A 24 7.931 -9.453 -7.399 1.00 0.00 C ATOM 369 O ARG A 24 8.945 -9.769 -7.994 1.00 0.00 O ATOM 370 CB ARG A 24 6.532 -8.783 -9.383 1.00 0.00 C ATOM 371 CG ARG A 24 6.918 -7.335 -9.248 1.00 0.00 C ATOM 372 CD ARG A 24 6.860 -6.637 -10.575 1.00 0.00 C ATOM 373 NE ARG A 24 7.412 -5.281 -10.490 1.00 0.00 N ATOM 374 CZ ARG A 24 6.848 -4.165 -10.974 1.00 0.00 C ATOM 375 NH1 ARG A 24 5.639 -4.193 -11.496 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.504 -3.018 -10.904 1.00 0.00 N ATOM 0 H ARG A 24 5.284 -8.087 -7.253 1.00 0.00 H new ATOM 0 HA ARG A 24 6.352 -10.611 -8.282 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.213 -9.265 -10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.533 -8.843 -9.816 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.249 -6.841 -8.544 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.925 -7.260 -8.837 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.416 -7.212 -11.315 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.827 -6.590 -10.918 1.00 0.00 H new ATOM 0 HE ARG A 24 8.310 -5.177 -10.018 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.121 -5.071 -11.535 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.221 -3.337 -11.861 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.433 -2.987 -10.484 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.081 -2.165 -11.270 1.00 0.00 H new ATOM 390 N ALA A 25 7.934 -9.037 -6.147 1.00 0.00 N ATOM 391 CA ALA A 25 9.141 -8.858 -5.332 1.00 0.00 C ATOM 392 C ALA A 25 9.396 -10.093 -4.504 1.00 0.00 C ATOM 393 O ALA A 25 10.068 -10.013 -3.469 1.00 0.00 O ATOM 394 CB ALA A 25 9.020 -7.647 -4.429 1.00 0.00 C ATOM 0 H ALA A 25 7.077 -8.805 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 25 9.981 -8.696 -6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.930 -7.541 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.876 -6.753 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.167 -7.774 -3.762 1.00 0.00 H new ATOM 400 N GLU A 26 8.838 -11.222 -4.989 1.00 0.00 N ATOM 401 CA GLU A 26 8.868 -12.566 -4.369 1.00 0.00 C ATOM 402 C GLU A 26 10.134 -12.802 -3.587 1.00 0.00 C ATOM 403 O GLU A 26 10.097 -13.290 -2.448 1.00 0.00 O ATOM 404 CB GLU A 26 8.786 -13.634 -5.446 1.00 0.00 C ATOM 405 CG GLU A 26 7.601 -13.525 -6.366 1.00 0.00 C ATOM 406 CD GLU A 26 7.610 -14.618 -7.387 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.336 -14.503 -8.394 1.00 0.00 O ATOM 408 OE2 GLU A 26 6.910 -15.628 -7.192 1.00 0.00 O ATOM 0 H GLU A 26 8.326 -11.222 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 26 8.016 -12.620 -3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.696 -13.594 -6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.764 -14.612 -4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.680 -13.573 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.612 -12.556 -6.866 1.00 0.00 H new ATOM 415 N GLY A 27 11.249 -12.493 -4.182 1.00 0.00 N ATOM 416 CA GLY A 27 12.432 -12.592 -3.461 1.00 0.00 C ATOM 417 C GLY A 27 13.662 -12.651 -4.290 1.00 0.00 C ATOM 418 O GLY A 27 13.937 -13.666 -4.930 1.00 0.00 O ATOM 0 H GLY A 27 11.340 -12.178 -5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.504 -11.737 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.388 -13.485 -2.837 1.00 0.00 H new ATOM 422 N ALA A 28 14.368 -11.536 -4.345 1.00 0.00 N ATOM 423 CA ALA A 28 15.743 -11.543 -4.819 1.00 0.00 C ATOM 424 C ALA A 28 16.527 -12.046 -3.619 1.00 0.00 C ATOM 425 O ALA A 28 17.594 -12.653 -3.706 1.00 0.00 O ATOM 426 CB ALA A 28 16.185 -10.132 -5.191 1.00 0.00 C ATOM 0 H ALA A 28 14.016 -10.619 -4.070 1.00 0.00 H new ATOM 0 HA ALA A 28 15.885 -12.155 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.216 -10.155 -5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.540 -9.745 -5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.115 -9.486 -4.316 1.00 0.00 H new ATOM 432 N THR A 29 15.934 -11.720 -2.492 1.00 0.00 N ATOM 433 CA THR A 29 16.229 -12.127 -1.165 1.00 0.00 C ATOM 434 C THR A 29 14.941 -11.703 -0.456 1.00 0.00 C ATOM 435 O THR A 29 14.279 -10.771 -0.948 1.00 0.00 O ATOM 436 CB THR A 29 17.418 -11.348 -0.565 1.00 0.00 C ATOM 437 OG1 THR A 29 18.463 -11.212 -1.542 1.00 0.00 O ATOM 438 CG2 THR A 29 17.990 -12.092 0.624 1.00 0.00 C ATOM 0 H THR A 29 15.137 -11.084 -2.504 1.00 0.00 H new ATOM 0 HA THR A 29 16.504 -13.179 -1.083 1.00 0.00 H new ATOM 0 HB THR A 29 17.055 -10.368 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.212 -10.715 -1.152 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.828 -11.530 1.036 1.00 0.00 H new ATOM 0 HG22 THR A 29 17.220 -12.206 1.387 1.00 0.00 H new ATOM 0 HG23 THR A 29 18.335 -13.076 0.306 1.00 0.00 H new ATOM 446 N GLU A 30 14.562 -12.324 0.621 1.00 0.00 N ATOM 447 CA GLU A 30 13.267 -12.005 1.252 1.00 0.00 C ATOM 448 C GLU A 30 13.266 -10.623 1.887 1.00 0.00 C ATOM 449 O GLU A 30 12.212 -9.997 2.033 1.00 0.00 O ATOM 450 CB GLU A 30 12.844 -13.073 2.246 1.00 0.00 C ATOM 451 CG GLU A 30 13.787 -13.248 3.411 1.00 0.00 C ATOM 452 CD GLU A 30 13.252 -14.207 4.417 1.00 0.00 C ATOM 453 OE1 GLU A 30 12.462 -13.787 5.281 1.00 0.00 O ATOM 454 OE2 GLU A 30 13.604 -15.395 4.372 1.00 0.00 O ATOM 0 H GLU A 30 15.105 -13.047 1.093 1.00 0.00 H new ATOM 0 HA GLU A 30 12.525 -11.992 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.854 -12.824 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.753 -14.024 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.751 -13.603 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.961 -12.282 3.886 1.00 0.00 H new ATOM 461 N GLU A 31 14.444 -10.134 2.236 1.00 0.00 N ATOM 462 CA GLU A 31 14.575 -8.789 2.757 1.00 0.00 C ATOM 463 C GLU A 31 14.110 -7.755 1.735 1.00 0.00 C ATOM 464 O GLU A 31 13.632 -6.697 2.107 1.00 0.00 O ATOM 465 CB GLU A 31 16.005 -8.490 3.208 1.00 0.00 C ATOM 466 CG GLU A 31 17.063 -8.710 2.140 1.00 0.00 C ATOM 467 CD GLU A 31 18.431 -8.283 2.592 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.955 -8.855 3.567 1.00 0.00 O ATOM 469 OE2 GLU A 31 19.021 -7.389 1.955 1.00 0.00 O ATOM 0 H GLU A 31 15.321 -10.650 2.167 1.00 0.00 H new ATOM 0 HA GLU A 31 13.930 -8.723 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.057 -7.455 3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.240 -9.117 4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.086 -9.765 1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.790 -8.155 1.242 1.00 0.00 H new ATOM 476 N ASP A 32 14.199 -8.102 0.439 1.00 0.00 N ATOM 477 CA ASP A 32 13.808 -7.178 -0.624 1.00 0.00 C ATOM 478 C ASP A 32 12.313 -6.954 -0.600 1.00 0.00 C ATOM 479 O ASP A 32 11.841 -5.840 -0.811 1.00 0.00 O ATOM 480 CB ASP A 32 14.271 -7.655 -2.001 1.00 0.00 C ATOM 481 CG ASP A 32 14.034 -6.608 -3.086 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.880 -5.685 -3.228 1.00 0.00 O ATOM 483 OD2 ASP A 32 13.023 -6.686 -3.810 1.00 0.00 O ATOM 0 H ASP A 32 14.535 -9.007 0.111 1.00 0.00 H new ATOM 0 HA ASP A 32 14.308 -6.228 -0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.332 -7.899 -1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.743 -8.572 -2.262 1.00 0.00 H new ATOM 488 N ASP A 33 11.591 -8.011 -0.257 1.00 0.00 N ATOM 489 CA ASP A 33 10.132 -7.976 -0.136 1.00 0.00 C ATOM 490 C ASP A 33 9.746 -7.028 0.989 1.00 0.00 C ATOM 491 O ASP A 33 9.060 -6.013 0.781 1.00 0.00 O ATOM 492 CB ASP A 33 9.599 -9.399 0.172 1.00 0.00 C ATOM 493 CG ASP A 33 8.082 -9.497 0.368 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.573 -9.181 1.459 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.378 -9.974 -0.546 1.00 0.00 O ATOM 0 H ASP A 33 11.998 -8.924 -0.053 1.00 0.00 H new ATOM 0 HA ASP A 33 9.696 -7.628 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.888 -10.063 -0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.091 -9.767 1.072 1.00 0.00 H new ATOM 500 N ASN A 34 10.275 -7.320 2.158 1.00 0.00 N ATOM 501 CA ASN A 34 9.980 -6.588 3.365 1.00 0.00 C ATOM 502 C ASN A 34 10.419 -5.131 3.296 1.00 0.00 C ATOM 503 O ASN A 34 9.677 -4.248 3.721 1.00 0.00 O ATOM 504 CB ASN A 34 10.612 -7.294 4.556 1.00 0.00 C ATOM 505 CG ASN A 34 10.361 -6.621 5.889 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.342 -5.971 6.104 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.266 -6.804 6.794 1.00 0.00 N ATOM 0 H ASN A 34 10.933 -8.087 2.296 1.00 0.00 H new ATOM 0 HA ASN A 34 8.897 -6.570 3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.232 -8.315 4.601 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.688 -7.361 4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.146 -6.402 7.724 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.100 -7.350 6.578 1.00 0.00 H new ATOM 514 N LYS A 35 11.596 -4.855 2.730 1.00 0.00 N ATOM 515 CA LYS A 35 12.051 -3.474 2.669 1.00 0.00 C ATOM 516 C LYS A 35 11.164 -2.616 1.776 1.00 0.00 C ATOM 517 O LYS A 35 11.044 -1.406 2.004 1.00 0.00 O ATOM 518 CB LYS A 35 13.557 -3.309 2.349 1.00 0.00 C ATOM 519 CG LYS A 35 14.029 -3.847 1.008 1.00 0.00 C ATOM 520 CD LYS A 35 15.531 -3.603 0.828 1.00 0.00 C ATOM 521 CE LYS A 35 16.071 -4.197 -0.473 1.00 0.00 C ATOM 522 NZ LYS A 35 15.441 -3.607 -1.673 1.00 0.00 N ATOM 0 H LYS A 35 12.228 -5.544 2.322 1.00 0.00 H new ATOM 0 HA LYS A 35 11.946 -3.096 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.801 -2.248 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.129 -3.803 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.818 -4.914 0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.477 -3.364 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.725 -2.531 0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.069 -4.035 1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.149 -4.041 -0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.905 -5.274 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.980 -4.357 -2.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.731 -2.904 -1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.168 -3.144 -2.255 1.00 0.00 H new ATOM 536 N LEU A 36 10.513 -3.226 0.778 1.00 0.00 N ATOM 537 CA LEU A 36 9.543 -2.480 -0.006 1.00 0.00 C ATOM 538 C LEU A 36 8.349 -2.198 0.857 1.00 0.00 C ATOM 539 O LEU A 36 7.931 -1.055 0.999 1.00 0.00 O ATOM 540 CB LEU A 36 9.088 -3.222 -1.268 1.00 0.00 C ATOM 541 CG LEU A 36 10.135 -3.438 -2.344 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.531 -4.219 -3.490 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.657 -2.097 -2.837 1.00 0.00 C ATOM 0 H LEU A 36 10.639 -4.201 0.506 1.00 0.00 H new ATOM 0 HA LEU A 36 10.026 -1.561 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.701 -4.196 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.257 -2.670 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 36 10.968 -4.005 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.285 -4.373 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.180 -5.185 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.692 -3.662 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.408 -2.261 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.833 -1.515 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.104 -1.553 -2.005 1.00 0.00 H new ATOM 555 N VAL A 37 7.853 -3.246 1.491 1.00 0.00 N ATOM 556 CA VAL A 37 6.688 -3.163 2.356 1.00 0.00 C ATOM 557 C VAL A 37 6.875 -2.082 3.419 1.00 0.00 C ATOM 558 O VAL A 37 5.987 -1.287 3.647 1.00 0.00 O ATOM 559 CB VAL A 37 6.383 -4.521 3.061 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.158 -4.390 3.933 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.172 -5.638 2.055 1.00 0.00 C ATOM 0 H VAL A 37 8.249 -4.183 1.420 1.00 0.00 H new ATOM 0 HA VAL A 37 5.844 -2.908 1.716 1.00 0.00 H new ATOM 0 HB VAL A 37 7.247 -4.774 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.954 -5.344 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.331 -3.625 4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.303 -4.106 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.962 -6.568 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.331 -5.390 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.071 -5.759 1.451 1.00 0.00 H new ATOM 571 N ARG A 38 8.043 -2.027 4.011 1.00 0.00 N ATOM 572 CA ARG A 38 8.287 -1.089 5.080 1.00 0.00 C ATOM 573 C ARG A 38 8.310 0.367 4.632 1.00 0.00 C ATOM 574 O ARG A 38 7.873 1.234 5.390 1.00 0.00 O ATOM 575 CB ARG A 38 9.543 -1.415 5.883 1.00 0.00 C ATOM 576 CG ARG A 38 9.540 -2.774 6.568 1.00 0.00 C ATOM 577 CD ARG A 38 8.251 -3.021 7.339 1.00 0.00 C ATOM 578 NE ARG A 38 7.931 -1.935 8.270 1.00 0.00 N ATOM 579 CZ ARG A 38 6.710 -1.681 8.763 1.00 0.00 C ATOM 580 NH1 ARG A 38 5.708 -2.549 8.593 1.00 0.00 N ATOM 581 NH2 ARG A 38 6.507 -0.574 9.452 1.00 0.00 N ATOM 0 H ARG A 38 8.838 -2.619 3.772 1.00 0.00 H new ATOM 0 HA ARG A 38 7.424 -1.208 5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.404 -1.364 5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.680 -0.644 6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.671 -3.557 5.821 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.388 -2.838 7.250 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.429 -3.144 6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.338 -3.955 7.893 1.00 0.00 H new ATOM 0 HE ARG A 38 8.695 -1.327 8.565 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.867 -3.418 8.083 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.784 -2.343 8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.275 0.079 9.605 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.582 -0.372 9.831 1.00 0.00 H new ATOM 595 N GLU A 39 8.813 0.665 3.424 1.00 0.00 N ATOM 596 CA GLU A 39 8.835 2.069 2.985 1.00 0.00 C ATOM 597 C GLU A 39 7.402 2.531 2.762 1.00 0.00 C ATOM 598 O GLU A 39 7.019 3.640 3.138 1.00 0.00 O ATOM 599 CB GLU A 39 9.720 2.324 1.722 1.00 0.00 C ATOM 600 CG GLU A 39 9.193 1.764 0.399 1.00 0.00 C ATOM 601 CD GLU A 39 10.074 2.116 -0.789 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.106 1.460 -1.015 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.755 3.082 -1.513 1.00 0.00 O ATOM 0 H GLU A 39 9.193 -0.011 2.761 1.00 0.00 H new ATOM 0 HA GLU A 39 9.305 2.656 3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.853 3.400 1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.707 1.899 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.113 0.680 0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.187 2.146 0.224 1.00 0.00 H new ATOM 610 N PHE A 40 6.601 1.624 2.236 1.00 0.00 N ATOM 611 CA PHE A 40 5.216 1.881 1.979 1.00 0.00 C ATOM 612 C PHE A 40 4.417 1.951 3.269 1.00 0.00 C ATOM 613 O PHE A 40 3.616 2.851 3.456 1.00 0.00 O ATOM 614 CB PHE A 40 4.651 0.855 1.016 1.00 0.00 C ATOM 615 CG PHE A 40 5.224 0.964 -0.376 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.006 2.094 -1.140 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.953 -0.073 -0.927 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.507 2.185 -2.419 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.459 0.013 -2.203 1.00 0.00 C ATOM 620 CZ PHE A 40 6.233 1.143 -2.949 1.00 0.00 C ATOM 0 H PHE A 40 6.905 0.685 1.977 1.00 0.00 H new ATOM 0 HA PHE A 40 5.133 2.859 1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.847 -0.144 1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.568 0.971 0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.437 2.915 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.128 -0.966 -0.346 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.330 3.074 -3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.031 -0.804 -2.616 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.625 1.214 -3.953 1.00 0.00 H new ATOM 630 N GLU A 41 4.694 1.033 4.172 1.00 0.00 N ATOM 631 CA GLU A 41 4.062 0.986 5.478 1.00 0.00 C ATOM 632 C GLU A 41 4.440 2.154 6.378 1.00 0.00 C ATOM 633 O GLU A 41 3.782 2.426 7.395 1.00 0.00 O ATOM 634 CB GLU A 41 4.273 -0.367 6.134 1.00 0.00 C ATOM 635 CG GLU A 41 3.076 -1.242 5.901 1.00 0.00 C ATOM 636 CD GLU A 41 1.914 -0.720 6.663 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.157 0.100 6.138 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.727 -1.181 7.811 1.00 0.00 O ATOM 0 H GLU A 41 5.373 0.288 4.019 1.00 0.00 H new ATOM 0 HA GLU A 41 2.991 1.105 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.166 -0.842 5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.438 -0.240 7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.840 -1.275 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.296 -2.264 6.210 1.00 0.00 H new ATOM 645 N ARG A 42 5.498 2.840 6.025 1.00 0.00 N ATOM 646 CA ARG A 42 5.875 4.034 6.729 1.00 0.00 C ATOM 647 C ARG A 42 5.031 5.177 6.222 1.00 0.00 C ATOM 648 O ARG A 42 4.509 5.974 6.993 1.00 0.00 O ATOM 649 CB ARG A 42 7.342 4.344 6.524 1.00 0.00 C ATOM 650 CG ARG A 42 7.811 5.505 7.372 1.00 0.00 C ATOM 651 CD ARG A 42 9.330 5.611 7.418 1.00 0.00 C ATOM 652 NE ARG A 42 9.914 5.935 6.106 1.00 0.00 N ATOM 653 CZ ARG A 42 11.110 5.515 5.654 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.824 4.628 6.349 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.575 5.968 4.496 1.00 0.00 N ATOM 0 H ARG A 42 6.114 2.589 5.251 1.00 0.00 H new ATOM 0 HA ARG A 42 5.711 3.888 7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.934 3.461 6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.519 4.571 5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.396 6.432 6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.426 5.391 8.385 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.616 6.378 8.138 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.746 4.668 7.774 1.00 0.00 H new ATOM 0 HE ARG A 42 9.364 6.530 5.486 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.464 4.262 7.231 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.729 4.315 5.999 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.026 6.633 3.951 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.481 5.651 4.151 1.00 0.00 H new ATOM 669 N LEU A 43 4.892 5.216 4.923 1.00 0.00 N ATOM 670 CA LEU A 43 4.106 6.219 4.219 1.00 0.00 C ATOM 671 C LEU A 43 2.646 6.210 4.658 1.00 0.00 C ATOM 672 O LEU A 43 2.046 7.265 4.907 1.00 0.00 O ATOM 673 CB LEU A 43 4.167 5.938 2.724 1.00 0.00 C ATOM 674 CG LEU A 43 5.481 6.196 2.024 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.386 5.732 0.592 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.835 7.670 2.076 1.00 0.00 C ATOM 0 H LEU A 43 5.330 4.537 4.301 1.00 0.00 H new ATOM 0 HA LEU A 43 4.526 7.197 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.900 4.893 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.401 6.540 2.236 1.00 0.00 H new ATOM 0 HG LEU A 43 6.269 5.640 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.333 5.918 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.165 4.665 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.591 6.278 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.784 7.834 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.054 8.249 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.921 7.987 3.115 1.00 0.00 H new ATOM 688 N THR A 44 2.111 5.032 4.791 1.00 0.00 N ATOM 689 CA THR A 44 0.708 4.832 5.080 1.00 0.00 C ATOM 690 C THR A 44 0.382 5.131 6.508 1.00 0.00 C ATOM 691 O THR A 44 -0.697 5.673 6.805 1.00 0.00 O ATOM 692 CB THR A 44 0.350 3.386 4.784 1.00 0.00 C ATOM 693 OG1 THR A 44 1.355 2.558 5.372 1.00 0.00 O ATOM 694 CG2 THR A 44 0.315 3.175 3.306 1.00 0.00 C ATOM 0 H THR A 44 2.640 4.164 4.702 1.00 0.00 H new ATOM 0 HA THR A 44 0.133 5.516 4.456 1.00 0.00 H new ATOM 0 HB THR A 44 -0.629 3.139 5.194 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.935 1.768 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.058 2.137 3.093 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.433 3.833 2.862 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.294 3.401 2.883 1.00 0.00 H new ATOM 702 N GLU A 45 1.335 4.782 7.386 1.00 0.00 N ATOM 703 CA GLU A 45 1.192 4.835 8.796 1.00 0.00 C ATOM 704 C GLU A 45 0.075 3.854 9.169 1.00 0.00 C ATOM 705 O GLU A 45 -0.637 4.005 10.178 1.00 0.00 O ATOM 706 CB GLU A 45 0.881 6.249 9.264 1.00 0.00 C ATOM 707 CG GLU A 45 1.379 6.486 10.640 1.00 0.00 C ATOM 708 CD GLU A 45 2.876 6.577 10.683 1.00 0.00 C ATOM 709 OE1 GLU A 45 3.554 5.536 10.829 1.00 0.00 O ATOM 710 OE2 GLU A 45 3.407 7.692 10.551 1.00 0.00 O ATOM 0 H GLU A 45 2.252 4.446 7.092 1.00 0.00 H new ATOM 0 HA GLU A 45 2.121 4.554 9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.336 6.968 8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.196 6.416 9.231 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.948 7.408 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.045 5.678 11.292 1.00 0.00 H new ATOM 717 N HIS A 46 -0.031 2.814 8.354 1.00 0.00 N ATOM 718 CA HIS A 46 -1.069 1.855 8.481 1.00 0.00 C ATOM 719 C HIS A 46 -0.614 0.739 9.460 1.00 0.00 C ATOM 720 O HIS A 46 0.565 0.471 9.602 1.00 0.00 O ATOM 721 CB HIS A 46 -1.480 1.316 7.064 1.00 0.00 C ATOM 722 CG HIS A 46 -2.745 0.525 7.042 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.839 -0.758 7.478 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.004 0.916 6.770 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.126 -1.094 7.509 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.877 -0.115 7.071 1.00 0.00 N ATOM 0 H HIS A 46 0.616 2.629 7.587 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.965 2.308 8.905 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.584 2.162 6.384 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.672 0.695 6.678 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.288 1.882 6.379 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.501 -2.048 7.850 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.892 -0.113 6.972 1.00 0.00 H new ATOM 734 N PRO A 47 -1.540 0.209 10.239 1.00 0.00 N ATOM 735 CA PRO A 47 -1.282 -0.868 11.209 1.00 0.00 C ATOM 736 C PRO A 47 -1.066 -2.242 10.618 1.00 0.00 C ATOM 737 O PRO A 47 -0.114 -2.942 10.945 1.00 0.00 O ATOM 738 CB PRO A 47 -2.566 -0.900 12.004 1.00 0.00 C ATOM 739 CG PRO A 47 -3.597 -0.246 11.182 1.00 0.00 C ATOM 740 CD PRO A 47 -2.897 0.713 10.334 1.00 0.00 C ATOM 0 HA PRO A 47 -0.362 -0.661 11.755 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.851 -1.926 12.235 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.444 -0.381 12.955 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.136 -0.977 10.579 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.334 0.255 11.809 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.362 0.783 9.351 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.917 1.713 10.768 1.00 0.00 H new ATOM 748 N ASP A 48 -1.939 -2.615 9.748 1.00 0.00 N ATOM 749 CA ASP A 48 -1.991 -3.947 9.250 1.00 0.00 C ATOM 750 C ASP A 48 -1.497 -3.953 7.855 1.00 0.00 C ATOM 751 O ASP A 48 -1.693 -4.900 7.137 1.00 0.00 O ATOM 752 CB ASP A 48 -3.433 -4.496 9.270 1.00 0.00 C ATOM 753 CG ASP A 48 -3.987 -4.766 10.650 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.577 -3.855 11.276 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.871 -5.918 11.123 1.00 0.00 O ATOM 0 H ASP A 48 -2.648 -1.995 9.356 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.372 -4.579 9.886 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.085 -3.784 8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.463 -5.421 8.694 1.00 0.00 H new ATOM 760 N GLY A 49 -0.812 -2.886 7.498 1.00 0.00 N ATOM 761 CA GLY A 49 -0.365 -2.673 6.104 1.00 0.00 C ATOM 762 C GLY A 49 0.438 -3.773 5.546 1.00 0.00 C ATOM 763 O GLY A 49 0.213 -4.206 4.418 1.00 0.00 O ATOM 0 H GLY A 49 -0.544 -2.142 8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.242 -2.524 5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.220 -1.754 6.060 1.00 0.00 H new ATOM 767 N SER A 50 1.343 -4.251 6.314 1.00 0.00 N ATOM 768 CA SER A 50 2.167 -5.348 5.862 1.00 0.00 C ATOM 769 C SER A 50 1.308 -6.614 5.732 1.00 0.00 C ATOM 770 O SER A 50 1.371 -7.326 4.726 1.00 0.00 O ATOM 771 CB SER A 50 3.316 -5.576 6.820 1.00 0.00 C ATOM 772 OG SER A 50 3.969 -4.347 7.106 1.00 0.00 O ATOM 0 H SER A 50 1.545 -3.915 7.256 1.00 0.00 H new ATOM 0 HA SER A 50 2.587 -5.104 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.946 -6.023 7.743 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.026 -6.281 6.387 1.00 0.00 H new ATOM 0 HG SER A 50 3.660 -4.006 7.971 1.00 0.00 H new ATOM 778 N ASP A 51 0.438 -6.823 6.717 1.00 0.00 N ATOM 779 CA ASP A 51 -0.433 -7.993 6.783 1.00 0.00 C ATOM 780 C ASP A 51 -1.455 -7.987 5.664 1.00 0.00 C ATOM 781 O ASP A 51 -1.940 -9.022 5.285 1.00 0.00 O ATOM 782 CB ASP A 51 -1.154 -8.097 8.135 1.00 0.00 C ATOM 783 CG ASP A 51 -0.232 -8.281 9.316 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.259 -9.397 9.548 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.014 -7.304 10.057 1.00 0.00 O ATOM 0 H ASP A 51 0.317 -6.179 7.499 1.00 0.00 H new ATOM 0 HA ASP A 51 0.213 -8.864 6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.747 -7.195 8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.851 -8.934 8.099 1.00 0.00 H new ATOM 790 N LEU A 52 -1.769 -6.807 5.143 1.00 0.00 N ATOM 791 CA LEU A 52 -2.694 -6.660 4.007 1.00 0.00 C ATOM 792 C LEU A 52 -2.129 -7.359 2.795 1.00 0.00 C ATOM 793 O LEU A 52 -2.840 -8.008 2.042 1.00 0.00 O ATOM 794 CB LEU A 52 -2.867 -5.186 3.623 1.00 0.00 C ATOM 795 CG LEU A 52 -3.338 -4.217 4.688 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.435 -2.830 4.093 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.668 -4.653 5.289 1.00 0.00 C ATOM 0 H LEU A 52 -1.395 -5.923 5.489 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.650 -7.088 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.910 -4.826 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.574 -5.139 2.795 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.612 -4.207 5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.774 -2.130 4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.456 -2.522 3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.146 -2.838 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.976 -3.935 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.424 -4.698 4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.557 -5.638 5.743 1.00 0.00 H new ATOM 809 N ILE A 53 -0.828 -7.241 2.652 1.00 0.00 N ATOM 810 CA ILE A 53 -0.124 -7.753 1.491 1.00 0.00 C ATOM 811 C ILE A 53 0.045 -9.224 1.647 1.00 0.00 C ATOM 812 O ILE A 53 0.006 -9.984 0.692 1.00 0.00 O ATOM 813 CB ILE A 53 1.267 -7.099 1.388 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.117 -5.583 1.430 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.983 -7.534 0.095 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.404 -4.862 1.678 1.00 0.00 C ATOM 0 H ILE A 53 -0.224 -6.787 3.337 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.695 -7.527 0.590 1.00 0.00 H new ATOM 0 HB ILE A 53 1.875 -7.425 2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.695 -5.241 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.405 -5.318 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.963 -7.059 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.104 -8.617 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.389 -7.233 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.222 -3.787 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.818 -5.175 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.112 -5.097 0.883 1.00 0.00 H new ATOM 828 N TYR A 54 0.204 -9.620 2.865 1.00 0.00 N ATOM 829 CA TYR A 54 0.415 -10.984 3.176 1.00 0.00 C ATOM 830 C TYR A 54 -0.903 -11.750 3.114 1.00 0.00 C ATOM 831 O TYR A 54 -0.961 -12.868 2.598 1.00 0.00 O ATOM 832 CB TYR A 54 1.055 -11.116 4.561 1.00 0.00 C ATOM 833 CG TYR A 54 2.348 -10.335 4.761 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.218 -10.070 3.704 1.00 0.00 C ATOM 835 CD2 TYR A 54 2.683 -9.837 6.014 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.371 -9.338 3.898 1.00 0.00 C ATOM 837 CE2 TYR A 54 3.831 -9.106 6.209 1.00 0.00 C ATOM 838 CZ TYR A 54 4.670 -8.858 5.150 1.00 0.00 C ATOM 839 OH TYR A 54 5.813 -8.116 5.348 1.00 0.00 O ATOM 0 H TYR A 54 0.190 -8.999 3.674 1.00 0.00 H new ATOM 0 HA TYR A 54 1.095 -11.413 2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.333 -10.788 5.309 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.254 -12.171 4.751 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.985 -10.444 2.718 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.029 -10.028 6.852 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.036 -9.143 3.069 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.072 -8.728 7.191 1.00 0.00 H new ATOM 0 HH TYR A 54 5.873 -7.853 6.290 1.00 0.00 H new ATOM 849 N TYR A 55 -1.960 -11.149 3.624 1.00 0.00 N ATOM 850 CA TYR A 55 -3.253 -11.783 3.677 1.00 0.00 C ATOM 851 C TYR A 55 -4.344 -10.738 3.433 1.00 0.00 C ATOM 852 O TYR A 55 -4.570 -9.872 4.294 1.00 0.00 O ATOM 853 CB TYR A 55 -3.515 -12.393 5.076 1.00 0.00 C ATOM 854 CG TYR A 55 -2.343 -13.106 5.710 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.979 -14.381 5.315 1.00 0.00 C ATOM 856 CD2 TYR A 55 -1.589 -12.481 6.704 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.901 -15.017 5.887 1.00 0.00 C ATOM 858 CE2 TYR A 55 -0.511 -13.113 7.276 1.00 0.00 C ATOM 859 CZ TYR A 55 -0.170 -14.381 6.868 1.00 0.00 C ATOM 860 OH TYR A 55 0.927 -15.011 7.433 1.00 0.00 O ATOM 0 H TYR A 55 -1.942 -10.206 4.013 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.269 -12.565 2.918 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.837 -11.595 5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.344 -13.096 4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.549 -14.884 4.547 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.856 -11.486 7.029 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.628 -16.012 5.568 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.066 -12.616 8.042 1.00 0.00 H new ATOM 0 HH TYR A 55 1.330 -14.425 8.107 1.00 0.00 H new ATOM 870 N PRO A 56 -4.979 -10.740 2.252 1.00 0.00 N ATOM 871 CA PRO A 56 -6.176 -9.933 2.017 1.00 0.00 C ATOM 872 C PRO A 56 -7.239 -10.370 3.031 1.00 0.00 C ATOM 873 O PRO A 56 -7.769 -11.472 2.931 1.00 0.00 O ATOM 874 CB PRO A 56 -6.602 -10.307 0.589 1.00 0.00 C ATOM 875 CG PRO A 56 -5.368 -10.852 -0.048 1.00 0.00 C ATOM 876 CD PRO A 56 -4.557 -11.475 1.058 1.00 0.00 C ATOM 0 HA PRO A 56 -6.024 -8.859 2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.403 -11.047 0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.976 -9.438 0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.618 -11.591 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.805 -10.061 -0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.760 -12.542 1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.487 -11.369 0.879 1.00 0.00 H new ATOM 884 N ARG A 57 -7.499 -9.493 3.997 1.00 0.00 N ATOM 885 CA ARG A 57 -8.283 -9.771 5.221 1.00 0.00 C ATOM 886 C ARG A 57 -9.560 -10.612 5.133 1.00 0.00 C ATOM 887 O ARG A 57 -9.518 -11.831 4.952 1.00 0.00 O ATOM 888 CB ARG A 57 -8.497 -8.523 6.069 1.00 0.00 C ATOM 889 CG ARG A 57 -7.211 -8.029 6.719 1.00 0.00 C ATOM 890 CD ARG A 57 -7.466 -7.018 7.822 1.00 0.00 C ATOM 891 NE ARG A 57 -7.842 -5.693 7.339 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.769 -4.573 8.065 1.00 0.00 C ATOM 893 NH1 ARG A 57 -7.355 -4.606 9.326 1.00 0.00 N ATOM 894 NH2 ARG A 57 -8.121 -3.429 7.520 1.00 0.00 N ATOM 0 H ARG A 57 -7.162 -8.531 3.958 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.608 -10.466 5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.912 -7.731 5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.233 -8.737 6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.666 -8.879 7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.574 -7.578 5.958 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.257 -7.395 8.470 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.568 -6.929 8.434 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.184 -5.616 6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.088 -5.493 9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.304 -3.744 9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.445 -3.403 6.553 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.070 -2.568 8.064 1.00 0.00 H new ATOM 908 N ASP A 58 -10.667 -9.983 5.348 1.00 0.00 N ATOM 909 CA ASP A 58 -11.930 -10.688 5.409 1.00 0.00 C ATOM 910 C ASP A 58 -12.884 -10.210 4.374 1.00 0.00 C ATOM 911 O ASP A 58 -13.250 -10.949 3.471 1.00 0.00 O ATOM 912 CB ASP A 58 -12.548 -10.564 6.801 1.00 0.00 C ATOM 913 CG ASP A 58 -13.948 -11.133 6.874 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.107 -12.363 6.868 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.919 -10.347 6.944 1.00 0.00 O ATOM 0 H ASP A 58 -10.736 -8.975 5.487 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.725 -11.739 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.913 -11.079 7.522 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.572 -9.513 7.090 1.00 0.00 H new ATOM 920 N ASP A 59 -13.243 -8.954 4.467 1.00 0.00 N ATOM 921 CA ASP A 59 -14.249 -8.392 3.560 1.00 0.00 C ATOM 922 C ASP A 59 -13.611 -8.001 2.270 1.00 0.00 C ATOM 923 O ASP A 59 -14.290 -7.745 1.279 1.00 0.00 O ATOM 924 CB ASP A 59 -14.977 -7.171 4.155 1.00 0.00 C ATOM 925 CG ASP A 59 -14.097 -5.945 4.316 1.00 0.00 C ATOM 926 OD1 ASP A 59 -13.993 -5.136 3.388 1.00 0.00 O ATOM 927 OD2 ASP A 59 -13.492 -5.774 5.397 1.00 0.00 O ATOM 0 H ASP A 59 -12.866 -8.296 5.149 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.994 -9.171 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.822 -6.917 3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.385 -7.443 5.128 1.00 0.00 H new ATOM 932 N ARG A 60 -12.302 -7.943 2.282 1.00 0.00 N ATOM 933 CA ARG A 60 -11.580 -7.558 1.118 1.00 0.00 C ATOM 934 C ARG A 60 -11.572 -8.566 0.052 1.00 0.00 C ATOM 935 O ARG A 60 -11.609 -9.782 0.286 1.00 0.00 O ATOM 936 CB ARG A 60 -10.176 -7.134 1.434 1.00 0.00 C ATOM 937 CG ARG A 60 -10.139 -5.807 2.071 1.00 0.00 C ATOM 938 CD ARG A 60 -10.490 -4.705 1.070 1.00 0.00 C ATOM 939 NE ARG A 60 -10.826 -3.456 1.767 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.745 -2.564 1.393 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.437 -2.729 0.269 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.965 -1.499 2.154 1.00 0.00 N ATOM 0 H ARG A 60 -11.723 -8.160 3.093 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.132 -6.700 0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.714 -7.868 2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.587 -7.114 0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.840 -5.781 2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.146 -5.626 2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.649 -4.537 0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.332 -5.021 0.454 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.306 -3.251 2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.268 -3.545 -0.319 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.137 -2.039 -0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.434 -1.369 3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.665 -0.811 1.878 1.00 0.00 H new ATOM 956 N GLU A 61 -11.575 -8.044 -1.114 1.00 0.00 N ATOM 957 CA GLU A 61 -11.400 -8.775 -2.289 1.00 0.00 C ATOM 958 C GLU A 61 -9.929 -9.144 -2.373 1.00 0.00 C ATOM 959 O GLU A 61 -9.058 -8.392 -1.892 1.00 0.00 O ATOM 960 CB GLU A 61 -11.820 -7.903 -3.476 1.00 0.00 C ATOM 961 CG GLU A 61 -11.558 -8.525 -4.816 1.00 0.00 C ATOM 962 CD GLU A 61 -12.265 -9.855 -4.993 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.690 -10.915 -4.640 1.00 0.00 O ATOM 964 OE2 GLU A 61 -13.405 -9.865 -5.483 1.00 0.00 O ATOM 0 H GLU A 61 -11.707 -7.045 -1.273 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.006 -9.681 -2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.884 -7.682 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.291 -6.952 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.881 -7.839 -5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.485 -8.669 -4.941 1.00 0.00 H new ATOM 971 N ASP A 62 -9.645 -10.263 -2.955 1.00 0.00 N ATOM 972 CA ASP A 62 -8.295 -10.709 -3.086 1.00 0.00 C ATOM 973 C ASP A 62 -7.719 -10.061 -4.326 1.00 0.00 C ATOM 974 O ASP A 62 -7.756 -10.631 -5.428 1.00 0.00 O ATOM 975 CB ASP A 62 -8.223 -12.246 -3.192 1.00 0.00 C ATOM 976 CG ASP A 62 -6.802 -12.801 -3.162 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.987 -12.473 -4.033 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.478 -13.592 -2.257 1.00 0.00 O ATOM 0 H ASP A 62 -10.341 -10.894 -3.353 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.721 -10.426 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.791 -12.684 -2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.706 -12.560 -4.117 1.00 0.00 H new ATOM 983 N SER A 63 -7.331 -8.828 -4.197 1.00 0.00 N ATOM 984 CA SER A 63 -6.737 -8.148 -5.282 1.00 0.00 C ATOM 985 C SER A 63 -5.684 -7.201 -4.773 1.00 0.00 C ATOM 986 O SER A 63 -5.750 -6.764 -3.608 1.00 0.00 O ATOM 987 CB SER A 63 -7.820 -7.381 -6.052 1.00 0.00 C ATOM 988 OG SER A 63 -8.526 -6.492 -5.205 1.00 0.00 O ATOM 0 H SER A 63 -7.421 -8.279 -3.342 1.00 0.00 H new ATOM 0 HA SER A 63 -6.264 -8.865 -5.952 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.361 -6.822 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.517 -8.087 -6.503 1.00 0.00 H new ATOM 0 HG SER A 63 -9.208 -6.017 -5.725 1.00 0.00 H new ATOM 994 N PRO A 64 -4.663 -6.898 -5.601 1.00 0.00 N ATOM 995 CA PRO A 64 -3.704 -5.842 -5.303 1.00 0.00 C ATOM 996 C PRO A 64 -4.470 -4.516 -5.034 1.00 0.00 C ATOM 997 O PRO A 64 -4.068 -3.706 -4.195 1.00 0.00 O ATOM 998 CB PRO A 64 -2.844 -5.775 -6.599 1.00 0.00 C ATOM 999 CG PRO A 64 -2.948 -7.138 -7.175 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.329 -7.618 -6.852 1.00 0.00 C ATOM 0 HA PRO A 64 -3.091 -6.017 -4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.222 -5.021 -7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.809 -5.514 -6.377 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.783 -7.120 -8.252 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.195 -7.800 -6.748 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.033 -7.382 -7.650 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.356 -8.699 -6.712 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.610 -4.343 -5.727 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.485 -3.204 -5.515 1.00 0.00 C ATOM 1010 C GLU A 65 -7.035 -3.218 -4.089 1.00 0.00 C ATOM 1011 O GLU A 65 -6.999 -2.203 -3.400 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.673 -3.208 -6.477 1.00 0.00 C ATOM 1013 CG GLU A 65 -8.497 -1.944 -6.347 1.00 0.00 C ATOM 1014 CD GLU A 65 -9.858 -2.009 -6.974 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.953 -2.005 -8.220 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -10.870 -2.018 -6.222 1.00 0.00 O ATOM 0 H GLU A 65 -5.938 -4.991 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.886 -2.311 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.313 -3.305 -7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.302 -4.076 -6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.612 -1.710 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.944 -1.120 -6.798 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.540 -4.380 -3.673 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.133 -4.564 -2.358 1.00 0.00 C ATOM 1025 C GLY A 66 -7.202 -4.176 -1.236 1.00 0.00 C ATOM 1026 O GLY A 66 -7.617 -3.584 -0.239 1.00 0.00 O ATOM 0 H GLY A 66 -7.547 -5.223 -4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.044 -3.970 -2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.423 -5.608 -2.238 1.00 0.00 H new ATOM 1030 N ILE A 67 -5.947 -4.489 -1.415 1.00 0.00 N ATOM 1031 CA ILE A 67 -4.911 -4.171 -0.450 1.00 0.00 C ATOM 1032 C ILE A 67 -4.732 -2.648 -0.318 1.00 0.00 C ATOM 1033 O ILE A 67 -4.620 -2.113 0.791 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.595 -4.878 -0.845 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.819 -6.402 -0.775 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.432 -4.444 0.050 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.667 -7.231 -1.272 1.00 0.00 C ATOM 0 H ILE A 67 -5.604 -4.978 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.210 -4.539 0.532 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.323 -4.594 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.028 -6.678 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.706 -6.652 -1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.523 -4.962 -0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.285 -3.368 -0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.658 -4.693 1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.915 -8.289 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.469 -6.990 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.780 -7.016 -0.676 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.763 -1.957 -1.439 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.673 -0.502 -1.437 1.00 0.00 C ATOM 1051 C VAL A 68 -5.965 0.095 -0.904 1.00 0.00 C ATOM 1052 O VAL A 68 -5.963 1.125 -0.220 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.381 0.058 -2.851 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.399 1.581 -2.886 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.055 -0.432 -3.328 1.00 0.00 C ATOM 0 H VAL A 68 -4.850 -2.375 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.842 -0.222 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.174 -0.299 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.189 1.924 -3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.381 1.940 -2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.640 1.970 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.857 -0.034 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.276 -0.099 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.062 -1.521 -3.368 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.054 -0.578 -1.192 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.356 -0.153 -0.776 1.00 0.00 C ATOM 1067 C LYS A 69 -8.454 -0.161 0.736 1.00 0.00 C ATOM 1068 O LYS A 69 -9.052 0.722 1.318 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.420 -1.021 -1.409 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.803 -0.429 -1.292 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.551 -0.529 -2.598 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.931 0.398 -3.626 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.604 0.302 -4.940 1.00 0.00 N ATOM 0 H LYS A 69 -7.053 -1.446 -1.728 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.521 0.870 -1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.182 -1.170 -2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.409 -2.004 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.359 -0.948 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.730 0.616 -0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.527 -1.556 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.599 -0.269 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.985 1.425 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.875 0.156 -3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.216 1.023 -5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.444 -0.643 -5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.625 0.459 -4.819 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.834 -1.144 1.355 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.727 -1.200 2.803 1.00 0.00 C ATOM 1089 C GLU A 70 -7.080 0.057 3.327 1.00 0.00 C ATOM 1090 O GLU A 70 -7.639 0.739 4.175 1.00 0.00 O ATOM 1091 CB GLU A 70 -6.901 -2.399 3.213 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.612 -3.701 3.119 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.696 -3.837 4.159 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.665 -3.048 4.143 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.613 -4.724 4.998 1.00 0.00 O ATOM 0 H GLU A 70 -7.390 -1.926 0.873 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.729 -1.288 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.009 -2.441 2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.564 -2.257 4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.049 -3.803 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.895 -4.513 3.236 1.00 0.00 H new ATOM 1102 N ILE A 71 -5.925 0.359 2.783 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.166 1.526 3.131 1.00 0.00 C ATOM 1104 C ILE A 71 -5.935 2.818 2.897 1.00 0.00 C ATOM 1105 O ILE A 71 -5.999 3.665 3.782 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.816 1.515 2.382 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -2.916 0.533 3.084 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.164 2.896 2.345 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.773 0.044 2.273 1.00 0.00 C ATOM 0 H ILE A 71 -5.480 -0.218 2.069 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.972 1.491 4.203 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.984 1.225 1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.527 1.001 3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.512 -0.323 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.217 2.837 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.826 3.598 1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.983 3.240 3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.183 -0.658 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.148 -0.457 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.148 0.887 1.980 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.523 2.968 1.729 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.228 4.155 1.407 1.00 0.00 C ATOM 1123 C LYS A 72 -8.453 4.329 2.278 1.00 0.00 C ATOM 1124 O LYS A 72 -8.568 5.335 2.918 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.556 4.215 -0.090 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.742 3.427 -0.582 1.00 0.00 C ATOM 1127 CD LYS A 72 -8.625 3.122 -2.068 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.529 4.396 -2.897 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.697 5.277 -2.729 1.00 0.00 N ATOM 0 H LYS A 72 -6.517 2.265 0.990 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.576 5.002 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.715 5.260 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.678 3.876 -0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.820 2.495 -0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.657 3.988 -0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.744 2.505 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.490 2.542 -2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.627 4.939 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.427 4.132 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.653 6.049 -3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.569 4.729 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.696 5.676 -1.769 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.283 3.292 2.400 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.540 3.415 3.114 1.00 0.00 C ATOM 1145 C GLU A 73 -10.327 3.579 4.606 1.00 0.00 C ATOM 1146 O GLU A 73 -11.076 4.283 5.271 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.463 2.236 2.829 1.00 0.00 C ATOM 1148 CG GLU A 73 -11.848 2.086 1.367 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.503 3.317 0.806 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -13.710 3.531 1.054 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -11.847 4.076 0.089 1.00 0.00 O ATOM 0 H GLU A 73 -9.103 2.365 2.014 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.024 4.320 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.976 1.319 3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.370 2.348 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.956 1.857 0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.526 1.239 1.260 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.290 2.955 5.122 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.968 3.064 6.527 1.00 0.00 C ATOM 1160 C TRP A 74 -8.520 4.485 6.824 1.00 0.00 C ATOM 1161 O TRP A 74 -9.055 5.137 7.713 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.880 2.064 6.879 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.462 2.022 8.310 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.051 1.325 9.316 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.333 2.678 8.881 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.336 1.484 10.475 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.284 2.318 10.233 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.359 3.533 8.369 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.293 2.775 11.085 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.378 3.993 9.202 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.344 3.610 10.552 1.00 0.00 C ATOM 0 H TRP A 74 -8.654 2.365 4.586 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.846 2.840 7.133 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.223 1.070 6.593 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.002 2.285 6.272 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.949 0.733 9.218 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.555 1.050 11.372 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.379 3.828 7.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.268 2.486 12.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.620 4.659 8.817 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.552 3.981 11.186 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.583 4.989 6.030 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.088 6.347 6.215 1.00 0.00 C ATOM 1184 C ARG A 75 -8.210 7.340 5.959 1.00 0.00 C ATOM 1185 O ARG A 75 -8.330 8.350 6.645 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.901 6.630 5.304 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.712 5.728 5.571 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.578 6.012 4.619 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.050 6.088 3.226 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.623 6.991 2.316 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.634 7.843 2.618 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.200 7.063 1.120 1.00 0.00 N ATOM 0 H ARG A 75 -7.153 4.481 5.257 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.744 6.454 7.244 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.212 6.512 4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.596 7.669 5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.371 5.868 6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.016 4.686 5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.098 6.951 4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.823 5.230 4.707 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.750 5.410 2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.198 7.813 3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.317 8.522 1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.969 6.435 0.886 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.874 7.746 0.437 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.054 6.992 5.010 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.224 7.761 4.630 1.00 0.00 C ATOM 1208 C ALA A 76 -11.207 7.887 5.809 1.00 0.00 C ATOM 1209 O ALA A 76 -11.835 8.934 6.005 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.910 7.107 3.406 1.00 0.00 C ATOM 0 H ALA A 76 -8.942 6.138 4.463 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.906 8.767 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.788 7.690 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.212 7.079 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.214 6.091 3.659 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.301 6.840 6.613 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.222 6.795 7.737 1.00 0.00 C ATOM 1218 C ALA A 77 -11.602 7.476 8.927 1.00 0.00 C ATOM 1219 O ALA A 77 -12.279 7.974 9.811 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.583 5.354 8.073 1.00 0.00 C ATOM 0 H ALA A 77 -10.739 5.996 6.504 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.139 7.319 7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.273 5.339 8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.056 4.886 7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.679 4.804 8.334 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.296 7.474 8.931 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.503 8.047 9.991 1.00 0.00 C ATOM 1228 C ASN A 78 -9.303 9.542 9.802 1.00 0.00 C ATOM 1229 O ASN A 78 -8.793 10.226 10.689 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.135 7.368 10.044 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.092 5.982 10.688 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.062 5.600 11.227 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.160 5.235 10.641 1.00 0.00 N ATOM 0 H ASN A 78 -9.739 7.065 8.181 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.043 7.886 10.924 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.755 7.284 9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.450 8.019 10.587 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.151 4.305 11.061 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.004 5.580 10.185 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.673 10.039 8.637 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.486 11.443 8.331 1.00 0.00 C ATOM 1242 C GLY A 79 -8.027 11.748 8.068 1.00 0.00 C ATOM 1243 O GLY A 79 -7.537 12.837 8.371 1.00 0.00 O ATOM 0 H GLY A 79 -10.103 9.493 7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.081 11.712 7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.845 12.051 9.161 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.339 10.773 7.531 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.948 10.864 7.225 1.00 0.00 C ATOM 1249 C LYS A 80 -5.738 11.303 5.790 1.00 0.00 C ATOM 1250 O LYS A 80 -6.708 11.578 5.059 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.292 9.514 7.462 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.039 9.172 8.919 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.502 7.762 9.038 1.00 0.00 C ATOM 1254 CE LYS A 80 -4.036 7.425 10.454 1.00 0.00 C ATOM 1255 NZ LYS A 80 -5.105 7.486 11.472 1.00 0.00 N ATOM 0 H LYS A 80 -7.750 9.871 7.291 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.492 11.611 7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.922 8.739 7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.342 9.490 6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.327 9.878 9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.964 9.266 9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.276 7.056 8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.669 7.635 8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.605 6.424 10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.240 8.114 10.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.698 7.312 12.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.548 8.427 11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.823 6.762 11.266 1.00 0.00 H new ATOM 1269 N SER A 81 -4.483 11.367 5.404 1.00 0.00 N ATOM 1270 CA SER A 81 -4.062 11.743 4.100 1.00 0.00 C ATOM 1271 C SER A 81 -4.576 10.734 3.062 1.00 0.00 C ATOM 1272 O SER A 81 -4.877 9.588 3.404 1.00 0.00 O ATOM 1273 CB SER A 81 -2.555 11.718 4.132 1.00 0.00 C ATOM 1274 OG SER A 81 -2.071 12.421 5.280 1.00 0.00 O ATOM 0 H SER A 81 -3.706 11.146 6.027 1.00 0.00 H new ATOM 0 HA SER A 81 -4.448 12.725 3.825 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.202 10.687 4.153 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.158 12.173 3.225 1.00 0.00 H new ATOM 0 HG SER A 81 -1.091 12.396 5.290 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.668 11.159 1.827 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.122 10.288 0.783 1.00 0.00 C ATOM 1282 C GLY A 82 -4.043 10.066 -0.243 1.00 0.00 C ATOM 1283 O GLY A 82 -2.851 10.136 0.083 1.00 0.00 O ATOM 0 H GLY A 82 -4.433 12.104 1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.426 9.332 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.002 10.717 0.303 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.441 9.728 -1.439 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.551 9.580 -2.545 1.00 0.00 C ATOM 1289 C PHE A 83 -3.653 10.784 -3.472 1.00 0.00 C ATOM 1290 O PHE A 83 -4.550 11.643 -3.313 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.863 8.298 -3.324 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.617 7.039 -2.548 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.366 6.800 -2.029 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.618 6.082 -2.343 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.104 5.659 -1.328 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.340 4.938 -1.638 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.088 4.727 -1.131 1.00 0.00 C ATOM 0 H PHE A 83 -5.417 9.545 -1.671 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.535 9.515 -2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.906 8.321 -3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.257 8.279 -4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.580 7.526 -2.178 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.609 6.244 -2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.116 5.490 -0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.114 4.201 -1.483 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.875 3.826 -0.575 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.754 10.838 -4.425 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.703 11.858 -5.405 1.00 0.00 C ATOM 1309 C LYS A 84 -3.810 11.656 -6.408 1.00 0.00 C ATOM 1310 O LYS A 84 -4.027 10.552 -6.924 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.335 11.823 -6.046 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.131 12.673 -7.251 1.00 0.00 C ATOM 1313 CD LYS A 84 0.308 12.582 -7.650 1.00 0.00 C ATOM 1314 CE LYS A 84 0.528 12.992 -9.065 1.00 0.00 C ATOM 1315 NZ LYS A 84 0.046 14.352 -9.350 1.00 0.00 N ATOM 0 H LYS A 84 -2.018 10.140 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.854 12.841 -4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.602 12.118 -5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.115 10.791 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.773 12.338 -8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.401 13.707 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.906 13.214 -6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.657 11.559 -7.512 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.592 12.934 -9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.022 12.287 -9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.533 14.724 -10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.979 14.327 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.242 14.968 -8.535 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.503 12.702 -6.643 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.611 12.753 -7.466 1.00 0.00 C ATOM 1331 C GLN A 85 -5.301 13.642 -8.651 1.00 0.00 C ATOM 1332 O GLN A 85 -5.365 14.870 -8.542 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.702 13.356 -6.632 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.181 12.461 -5.504 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.882 13.229 -4.416 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -9.088 13.447 -4.464 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.136 13.619 -3.409 1.00 0.00 N ATOM 0 H GLN A 85 -4.280 13.606 -6.225 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.899 11.773 -7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.346 14.296 -6.210 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.548 13.596 -7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.858 11.707 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.329 11.931 -5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.136 13.418 -3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.556 14.123 -2.628 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.898 13.041 -9.740 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.581 13.808 -10.909 1.00 0.00 C ATOM 1348 C GLY A 86 -3.165 14.311 -10.857 1.00 0.00 C ATOM 1349 O GLY A 86 -2.303 13.612 -10.318 1.00 0.00 O ATOM 1350 OXT GLY A 86 -2.898 15.433 -11.320 1.00 0.00 O ATOM 0 H GLY A 86 -4.783 12.032 -9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.720 13.195 -11.799 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.267 14.651 -10.992 1.00 0.00 H new