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 5 HIS : no HD1:sc= -1.98! K(o=-2.1!,f=-2.8) USER MOD Set 1.2: A 6 SER OG : rot -150:sc= -0.14 USER MOD Single : A 4 LYS NZ :NH3+ 163:sc= -0.0322 (180deg=-0.396) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 109:sc= 0.253 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.355 USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= 1.28 (180deg=1.15) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00686) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 34 ASN : amide:sc= -0.953 K(o=-0.95,f=-9.8!) USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= 1.24 (180deg=0.0749) USER MOD Single : A 44 THR OG1 : rot -157:sc= 0.11 USER MOD Single : A 46 HIS : no HD1:sc= -1.84! C(o=-1.8!,f=-6.7!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 22:sc= 1.22 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc=-0.00614 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= 1.19 (180deg=0.76) USER MOD Single : A 78 ASN : amide:sc= 0.49 X(o=0.49,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 176:sc= -1.44! (180deg=-1.51!) USER MOD Single : A 81 SER OG : rot 180:sc=-0.00304 USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.06) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.625 10.166 -4.191 1.00 0.00 N ATOM 36 CA LYS A 4 8.478 10.744 -3.559 1.00 0.00 C ATOM 37 C LYS A 4 8.872 11.442 -2.282 1.00 0.00 C ATOM 38 O LYS A 4 9.988 11.269 -1.793 1.00 0.00 O ATOM 39 CB LYS A 4 7.461 9.630 -3.252 1.00 0.00 C ATOM 40 CG LYS A 4 8.114 8.253 -2.927 1.00 0.00 C ATOM 41 CD LYS A 4 8.968 8.197 -1.660 1.00 0.00 C ATOM 42 CE LYS A 4 8.176 8.362 -0.385 1.00 0.00 C ATOM 43 NZ LYS A 4 9.038 8.198 0.805 1.00 0.00 N ATOM 0 HA LYS A 4 8.033 11.480 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.844 9.937 -2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.795 9.513 -4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.322 7.509 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.735 7.959 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.494 7.243 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.727 8.978 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.711 9.348 -0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.370 7.629 -0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.557 8.591 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.228 7.187 0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.936 8.700 0.655 1.00 0.00 H new ATOM 57 N HIS A 5 7.969 12.209 -1.747 1.00 0.00 N ATOM 58 CA HIS A 5 8.181 12.873 -0.473 1.00 0.00 C ATOM 59 C HIS A 5 7.188 12.337 0.567 1.00 0.00 C ATOM 60 O HIS A 5 7.392 12.479 1.756 1.00 0.00 O ATOM 61 CB HIS A 5 8.039 14.412 -0.625 1.00 0.00 C ATOM 62 CG HIS A 5 6.673 14.846 -1.068 1.00 0.00 C ATOM 63 ND1 HIS A 5 6.228 14.738 -2.357 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.621 15.280 -0.343 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.950 15.072 -2.383 1.00 0.00 C ATOM 66 NE2 HIS A 5 4.521 15.419 -1.179 1.00 0.00 N ATOM 0 H HIS A 5 7.062 12.399 -2.173 1.00 0.00 H new ATOM 0 HA HIS A 5 9.195 12.662 -0.132 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.271 14.886 0.329 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.776 14.768 -1.345 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.633 15.486 0.717 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.335 15.063 -3.271 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.582 15.724 -0.921 1.00 0.00 H new ATOM 74 N SER A 6 6.117 11.711 0.098 1.00 0.00 N ATOM 75 CA SER A 6 5.069 11.213 0.970 1.00 0.00 C ATOM 76 C SER A 6 4.239 10.203 0.197 1.00 0.00 C ATOM 77 O SER A 6 4.551 9.921 -0.973 1.00 0.00 O ATOM 78 CB SER A 6 4.168 12.382 1.366 1.00 0.00 C ATOM 79 OG SER A 6 3.542 12.935 0.211 1.00 0.00 O ATOM 0 H SER A 6 5.953 11.536 -0.893 1.00 0.00 H new ATOM 0 HA SER A 6 5.501 10.751 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.410 12.043 2.072 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.755 13.148 1.872 1.00 0.00 H new ATOM 0 HG SER A 6 3.378 13.891 0.353 1.00 0.00 H new ATOM 85 N ILE A 7 3.185 9.673 0.823 1.00 0.00 N ATOM 86 CA ILE A 7 2.260 8.787 0.137 1.00 0.00 C ATOM 87 C ILE A 7 1.419 9.606 -0.849 1.00 0.00 C ATOM 88 O ILE A 7 0.952 9.102 -1.851 1.00 0.00 O ATOM 89 CB ILE A 7 1.308 8.030 1.116 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.566 6.919 0.356 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.317 8.989 1.781 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.323 6.068 1.216 1.00 0.00 C ATOM 0 H ILE A 7 2.957 9.846 1.802 1.00 0.00 H new ATOM 0 HA ILE A 7 2.855 8.036 -0.383 1.00 0.00 H new ATOM 0 HB ILE A 7 1.908 7.582 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.036 7.373 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.299 6.278 -0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.332 8.431 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.864 9.744 2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.288 9.475 1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.808 5.310 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.274 5.582 1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.082 6.694 1.686 1.00 0.00 H new ATOM 104 N SER A 8 1.306 10.899 -0.563 1.00 0.00 N ATOM 105 CA SER A 8 0.511 11.808 -1.345 1.00 0.00 C ATOM 106 C SER A 8 1.180 12.063 -2.690 1.00 0.00 C ATOM 107 O SER A 8 0.561 12.583 -3.604 1.00 0.00 O ATOM 108 CB SER A 8 0.306 13.121 -0.559 1.00 0.00 C ATOM 109 OG SER A 8 -0.542 14.044 -1.247 1.00 0.00 O ATOM 0 H SER A 8 1.773 11.339 0.229 1.00 0.00 H new ATOM 0 HA SER A 8 -0.467 11.368 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.125 12.894 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.274 13.588 -0.378 1.00 0.00 H new ATOM 0 HG SER A 8 -0.643 14.858 -0.710 1.00 0.00 H new ATOM 115 N ASP A 9 2.447 11.696 -2.803 1.00 0.00 N ATOM 116 CA ASP A 9 3.139 11.840 -4.066 1.00 0.00 C ATOM 117 C ASP A 9 2.837 10.645 -4.960 1.00 0.00 C ATOM 118 O ASP A 9 2.953 10.709 -6.189 1.00 0.00 O ATOM 119 CB ASP A 9 4.634 12.009 -3.883 1.00 0.00 C ATOM 120 CG ASP A 9 5.320 12.357 -5.186 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.064 13.445 -5.733 1.00 0.00 O ATOM 122 OD2 ASP A 9 6.111 11.556 -5.681 1.00 0.00 O ATOM 0 H ASP A 9 3.007 11.303 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 9 2.774 12.749 -4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.825 12.793 -3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.058 11.088 -3.483 1.00 0.00 H new ATOM 127 N TYR A 10 2.428 9.560 -4.347 1.00 0.00 N ATOM 128 CA TYR A 10 2.022 8.395 -5.078 1.00 0.00 C ATOM 129 C TYR A 10 0.599 8.583 -5.497 1.00 0.00 C ATOM 130 O TYR A 10 -0.222 9.068 -4.719 1.00 0.00 O ATOM 131 CB TYR A 10 2.109 7.113 -4.237 1.00 0.00 C ATOM 132 CG TYR A 10 3.491 6.560 -3.989 1.00 0.00 C ATOM 133 CD1 TYR A 10 4.256 6.972 -2.909 1.00 0.00 C ATOM 134 CD2 TYR A 10 4.016 5.580 -4.828 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.486 6.435 -2.677 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.260 5.032 -4.594 1.00 0.00 C ATOM 137 CZ TYR A 10 5.993 5.462 -3.514 1.00 0.00 C ATOM 138 OH TYR A 10 7.245 4.921 -3.265 1.00 0.00 O ATOM 0 H TYR A 10 2.369 9.465 -3.333 1.00 0.00 H new ATOM 0 HA TYR A 10 2.693 8.282 -5.930 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.641 7.306 -3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.517 6.342 -4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.871 7.729 -2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.439 5.243 -5.677 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.068 6.773 -1.833 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.654 4.273 -5.253 1.00 0.00 H new ATOM 0 HH TYR A 10 7.146 4.001 -2.943 1.00 0.00 H new ATOM 148 N THR A 11 0.303 8.252 -6.706 1.00 0.00 N ATOM 149 CA THR A 11 -1.043 8.302 -7.156 1.00 0.00 C ATOM 150 C THR A 11 -1.724 7.037 -6.695 1.00 0.00 C ATOM 151 O THR A 11 -1.037 6.109 -6.217 1.00 0.00 O ATOM 152 CB THR A 11 -1.112 8.405 -8.692 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.436 7.291 -9.278 1.00 0.00 O ATOM 154 CG2 THR A 11 -0.469 9.693 -9.182 1.00 0.00 C ATOM 0 H THR A 11 0.980 7.942 -7.404 1.00 0.00 H new ATOM 0 HA THR A 11 -1.537 9.184 -6.747 1.00 0.00 H new ATOM 0 HB THR A 11 -2.161 8.404 -8.987 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.482 7.357 -10.255 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.531 9.740 -10.269 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.991 10.547 -8.751 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.577 9.716 -8.877 1.00 0.00 H new ATOM 162 N GLU A 12 -3.037 6.977 -6.819 1.00 0.00 N ATOM 163 CA GLU A 12 -3.776 5.778 -6.463 1.00 0.00 C ATOM 164 C GLU A 12 -3.220 4.612 -7.263 1.00 0.00 C ATOM 165 O GLU A 12 -2.947 3.560 -6.723 1.00 0.00 O ATOM 166 CB GLU A 12 -5.267 5.947 -6.767 1.00 0.00 C ATOM 167 CG GLU A 12 -6.124 4.742 -6.403 1.00 0.00 C ATOM 168 CD GLU A 12 -7.552 4.903 -6.851 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.329 5.601 -6.160 1.00 0.00 O ATOM 170 OE2 GLU A 12 -7.925 4.356 -7.912 1.00 0.00 O ATOM 0 H GLU A 12 -3.614 7.744 -7.163 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.667 5.593 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.639 6.818 -6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.387 6.155 -7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.701 3.847 -6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.098 4.593 -5.324 1.00 0.00 H new ATOM 177 N ALA A 13 -2.980 4.865 -8.531 1.00 0.00 N ATOM 178 CA ALA A 13 -2.470 3.868 -9.442 1.00 0.00 C ATOM 179 C ALA A 13 -1.031 3.456 -9.102 1.00 0.00 C ATOM 180 O ALA A 13 -0.716 2.273 -9.091 1.00 0.00 O ATOM 181 CB ALA A 13 -2.576 4.364 -10.872 1.00 0.00 C ATOM 0 H ALA A 13 -3.135 5.777 -8.961 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.084 2.974 -9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.188 3.604 -11.550 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.620 4.565 -11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.995 5.280 -10.983 1.00 0.00 H new ATOM 187 N GLU A 14 -0.163 4.421 -8.806 1.00 0.00 N ATOM 188 CA GLU A 14 1.234 4.115 -8.458 1.00 0.00 C ATOM 189 C GLU A 14 1.334 3.396 -7.133 1.00 0.00 C ATOM 190 O GLU A 14 2.206 2.545 -6.935 1.00 0.00 O ATOM 191 CB GLU A 14 2.102 5.366 -8.463 1.00 0.00 C ATOM 192 CG GLU A 14 2.356 5.920 -9.848 1.00 0.00 C ATOM 193 CD GLU A 14 3.103 4.939 -10.710 1.00 0.00 C ATOM 194 OE1 GLU A 14 4.341 4.886 -10.600 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.465 4.196 -11.498 1.00 0.00 O ATOM 0 H GLU A 14 -0.394 5.415 -8.798 1.00 0.00 H new ATOM 0 HA GLU A 14 1.613 3.445 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.622 6.134 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.058 5.137 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.406 6.170 -10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.927 6.845 -9.771 1.00 0.00 H new ATOM 202 N PHE A 15 0.448 3.722 -6.241 1.00 0.00 N ATOM 203 CA PHE A 15 0.388 3.059 -4.973 1.00 0.00 C ATOM 204 C PHE A 15 -0.223 1.705 -5.156 1.00 0.00 C ATOM 205 O PHE A 15 0.121 0.783 -4.496 1.00 0.00 O ATOM 206 CB PHE A 15 -0.393 3.874 -3.967 1.00 0.00 C ATOM 207 CG PHE A 15 -0.382 3.285 -2.602 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.632 3.595 -1.724 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.388 2.422 -2.192 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.647 3.062 -0.465 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.376 1.891 -0.936 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.360 2.213 -0.072 1.00 0.00 C ATOM 0 H PHE A 15 -0.252 4.453 -6.371 1.00 0.00 H new ATOM 0 HA PHE A 15 1.399 2.948 -4.581 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.022 4.881 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.424 3.968 -4.307 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.422 4.264 -2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.187 2.169 -2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.447 3.307 0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.162 1.220 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.351 1.796 0.924 1.00 0.00 H new ATOM 222 N LEU A 16 -1.111 1.588 -6.061 1.00 0.00 N ATOM 223 CA LEU A 16 -1.730 0.320 -6.331 1.00 0.00 C ATOM 224 C LEU A 16 -0.727 -0.610 -6.984 1.00 0.00 C ATOM 225 O LEU A 16 -0.811 -1.829 -6.880 1.00 0.00 O ATOM 226 CB LEU A 16 -3.000 0.552 -7.132 1.00 0.00 C ATOM 227 CG LEU A 16 -3.910 -0.602 -7.308 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.307 -0.126 -7.408 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.628 -1.327 -8.543 1.00 0.00 C ATOM 0 H LEU A 16 -1.441 2.357 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.036 -0.183 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.561 1.354 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.715 0.911 -8.121 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.763 -1.256 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.974 -0.979 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.575 0.409 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.403 0.543 -8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.316 -2.167 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.753 -0.658 -9.394 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.603 -1.698 -8.521 1.00 0.00 H new ATOM 241 N GLU A 17 0.219 -0.029 -7.611 1.00 0.00 N ATOM 242 CA GLU A 17 1.334 -0.763 -8.094 1.00 0.00 C ATOM 243 C GLU A 17 2.264 -1.175 -6.942 1.00 0.00 C ATOM 244 O GLU A 17 2.995 -2.112 -7.100 1.00 0.00 O ATOM 245 CB GLU A 17 2.108 -0.018 -9.178 1.00 0.00 C ATOM 246 CG GLU A 17 1.355 0.143 -10.485 1.00 0.00 C ATOM 247 CD GLU A 17 0.927 -1.182 -11.082 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.795 -2.047 -11.347 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.285 -1.368 -11.350 1.00 0.00 O ATOM 0 H GLU A 17 0.249 0.971 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 17 0.934 -1.665 -8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.376 0.970 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.040 -0.549 -9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.474 0.763 -10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.986 0.672 -11.200 1.00 0.00 H new ATOM 256 N PHE A 18 2.188 -0.477 -5.757 1.00 0.00 N ATOM 257 CA PHE A 18 3.043 -0.813 -4.566 1.00 0.00 C ATOM 258 C PHE A 18 2.850 -2.252 -4.240 1.00 0.00 C ATOM 259 O PHE A 18 3.780 -3.022 -4.193 1.00 0.00 O ATOM 260 CB PHE A 18 2.720 0.084 -3.251 1.00 0.00 C ATOM 261 CG PHE A 18 1.901 -0.575 -2.044 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.505 -0.667 -2.059 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.548 -1.089 -0.917 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.199 -1.250 -1.000 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.837 -1.663 0.129 1.00 0.00 C ATOM 266 CZ PHE A 18 0.472 -1.742 0.085 1.00 0.00 C ATOM 0 H PHE A 18 1.554 0.308 -5.605 1.00 0.00 H new ATOM 0 HA PHE A 18 4.075 -0.593 -4.839 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.671 0.435 -2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.169 0.965 -3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.041 -0.280 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.625 -1.039 -0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.277 -1.312 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.367 -2.051 0.986 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.073 -2.190 0.903 1.00 0.00 H new ATOM 276 N VAL A 19 1.616 -2.604 -4.133 1.00 0.00 N ATOM 277 CA VAL A 19 1.217 -3.897 -3.669 1.00 0.00 C ATOM 278 C VAL A 19 1.490 -4.980 -4.704 1.00 0.00 C ATOM 279 O VAL A 19 1.937 -6.083 -4.364 1.00 0.00 O ATOM 280 CB VAL A 19 -0.263 -3.872 -3.205 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.200 -3.458 -4.311 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.675 -5.168 -2.550 1.00 0.00 C ATOM 0 H VAL A 19 0.835 -1.991 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 19 1.826 -4.154 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.339 -3.102 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.224 -3.455 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.937 -2.458 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.117 -4.161 -5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.718 -5.104 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.556 -5.988 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.049 -5.349 -1.676 1.00 0.00 H new ATOM 292 N LYS A 20 1.268 -4.648 -5.954 1.00 0.00 N ATOM 293 CA LYS A 20 1.545 -5.556 -7.030 1.00 0.00 C ATOM 294 C LYS A 20 3.055 -5.802 -7.099 1.00 0.00 C ATOM 295 O LYS A 20 3.523 -6.930 -7.255 1.00 0.00 O ATOM 296 CB LYS A 20 1.112 -4.953 -8.333 1.00 0.00 C ATOM 297 CG LYS A 20 -0.361 -4.732 -8.468 1.00 0.00 C ATOM 298 CD LYS A 20 -0.626 -4.209 -9.826 1.00 0.00 C ATOM 299 CE LYS A 20 -2.063 -3.902 -10.104 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.204 -3.313 -11.456 1.00 0.00 N ATOM 0 H LYS A 20 0.893 -3.746 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 20 1.007 -6.488 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.621 -3.998 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.443 -5.602 -9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.902 -5.665 -8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.711 -4.027 -7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.039 -3.302 -9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.276 -4.938 -10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.658 -4.812 -10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.447 -3.209 -9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.056 -2.717 -11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.368 -2.733 -11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.288 -4.074 -12.159 1.00 0.00 H new ATOM 314 N LYS A 21 3.800 -4.706 -6.935 1.00 0.00 N ATOM 315 CA LYS A 21 5.249 -4.680 -6.963 1.00 0.00 C ATOM 316 C LYS A 21 5.796 -5.536 -5.845 1.00 0.00 C ATOM 317 O LYS A 21 6.775 -6.212 -6.024 1.00 0.00 O ATOM 318 CB LYS A 21 5.734 -3.232 -6.809 1.00 0.00 C ATOM 319 CG LYS A 21 7.191 -2.973 -7.121 1.00 0.00 C ATOM 320 CD LYS A 21 7.484 -1.487 -6.972 1.00 0.00 C ATOM 321 CE LYS A 21 8.861 -1.123 -7.481 1.00 0.00 C ATOM 322 NZ LYS A 21 9.937 -1.783 -6.733 1.00 0.00 N ATOM 0 H LYS A 21 3.389 -3.786 -6.774 1.00 0.00 H new ATOM 0 HA LYS A 21 5.605 -5.077 -7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.128 -2.598 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.543 -2.915 -5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.826 -3.549 -6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.421 -3.300 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.734 -0.914 -7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.400 -1.205 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.937 -1.394 -8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.992 -0.043 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.858 -1.459 -7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.854 -1.546 -5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.862 -2.813 -6.854 1.00 0.00 H new ATOM 336 N ILE A 22 5.133 -5.506 -4.701 1.00 0.00 N ATOM 337 CA ILE A 22 5.530 -6.320 -3.562 1.00 0.00 C ATOM 338 C ILE A 22 5.256 -7.793 -3.844 1.00 0.00 C ATOM 339 O ILE A 22 6.078 -8.656 -3.553 1.00 0.00 O ATOM 340 CB ILE A 22 4.811 -5.892 -2.260 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.098 -4.427 -1.983 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.281 -6.749 -1.089 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.429 -3.881 -0.767 1.00 0.00 C ATOM 0 H ILE A 22 4.312 -4.923 -4.535 1.00 0.00 H new ATOM 0 HA ILE A 22 6.599 -6.168 -3.415 1.00 0.00 H new ATOM 0 HB ILE A 22 3.737 -6.033 -2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.175 -4.295 -1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.787 -3.840 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.767 -6.437 -0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.056 -7.796 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.356 -6.627 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.691 -2.830 -0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.348 -3.976 -0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.758 -4.438 0.110 1.00 0.00 H new ATOM 355 N CYS A 23 4.130 -8.071 -4.459 1.00 0.00 N ATOM 356 CA CYS A 23 3.770 -9.435 -4.789 1.00 0.00 C ATOM 357 C CYS A 23 4.788 -10.037 -5.780 1.00 0.00 C ATOM 358 O CYS A 23 5.069 -11.226 -5.750 1.00 0.00 O ATOM 359 CB CYS A 23 2.348 -9.490 -5.358 1.00 0.00 C ATOM 360 SG CYS A 23 1.716 -11.158 -5.651 1.00 0.00 S ATOM 0 H CYS A 23 3.445 -7.371 -4.742 1.00 0.00 H new ATOM 0 HA CYS A 23 3.793 -10.033 -3.878 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.676 -8.977 -4.670 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.325 -8.937 -6.297 1.00 0.00 H new ATOM 0 HG CYS A 23 0.509 -11.087 -6.129 1.00 0.00 H new ATOM 366 N ARG A 24 5.351 -9.199 -6.629 1.00 0.00 N ATOM 367 CA ARG A 24 6.358 -9.627 -7.591 1.00 0.00 C ATOM 368 C ARG A 24 7.794 -9.302 -7.120 1.00 0.00 C ATOM 369 O ARG A 24 8.755 -9.494 -7.868 1.00 0.00 O ATOM 370 CB ARG A 24 6.092 -9.041 -8.981 1.00 0.00 C ATOM 371 CG ARG A 24 6.148 -7.531 -9.074 1.00 0.00 C ATOM 372 CD ARG A 24 5.984 -7.108 -10.509 1.00 0.00 C ATOM 373 NE ARG A 24 6.115 -5.656 -10.703 1.00 0.00 N ATOM 374 CZ ARG A 24 7.115 -5.070 -11.386 1.00 0.00 C ATOM 375 NH1 ARG A 24 8.184 -5.784 -11.764 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.071 -3.767 -11.635 1.00 0.00 N ATOM 0 H ARG A 24 5.127 -8.205 -6.674 1.00 0.00 H new ATOM 0 HA ARG A 24 6.280 -10.712 -7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.820 -9.458 -9.677 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.108 -9.372 -9.313 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.362 -7.089 -8.462 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.098 -7.167 -8.683 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.729 -7.618 -11.119 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.006 -7.429 -10.866 1.00 0.00 H new ATOM 0 HE ARG A 24 5.401 -5.054 -10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.242 -6.776 -11.534 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.940 -5.335 -12.282 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.280 -3.212 -11.309 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.828 -3.321 -12.153 1.00 0.00 H new ATOM 390 N ALA A 25 7.923 -8.844 -5.877 1.00 0.00 N ATOM 391 CA ALA A 25 9.202 -8.345 -5.294 1.00 0.00 C ATOM 392 C ALA A 25 10.223 -9.430 -4.941 1.00 0.00 C ATOM 393 O ALA A 25 11.108 -9.195 -4.104 1.00 0.00 O ATOM 394 CB ALA A 25 8.940 -7.471 -4.088 1.00 0.00 C ATOM 0 H ALA A 25 7.141 -8.801 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 25 9.659 -7.761 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.888 -7.119 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.333 -6.616 -4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.410 -8.047 -3.329 1.00 0.00 H new ATOM 400 N GLU A 26 10.097 -10.604 -5.548 1.00 0.00 N ATOM 401 CA GLU A 26 11.102 -11.652 -5.414 1.00 0.00 C ATOM 402 C GLU A 26 12.462 -11.067 -5.783 1.00 0.00 C ATOM 403 O GLU A 26 13.377 -11.097 -4.976 1.00 0.00 O ATOM 404 CB GLU A 26 10.762 -12.822 -6.330 1.00 0.00 C ATOM 405 CG GLU A 26 9.667 -13.734 -5.817 1.00 0.00 C ATOM 406 CD GLU A 26 10.142 -14.609 -4.679 1.00 0.00 C ATOM 407 OE1 GLU A 26 11.001 -15.487 -4.927 1.00 0.00 O ATOM 408 OE2 GLU A 26 9.681 -14.452 -3.531 1.00 0.00 O ATOM 0 H GLU A 26 9.305 -10.855 -6.140 1.00 0.00 H new ATOM 0 HA GLU A 26 11.125 -12.019 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.463 -12.429 -7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.663 -13.414 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.822 -13.132 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.308 -14.363 -6.632 1.00 0.00 H new ATOM 415 N GLY A 27 12.546 -10.535 -7.018 1.00 0.00 N ATOM 416 CA GLY A 27 13.698 -9.770 -7.515 1.00 0.00 C ATOM 417 C GLY A 27 15.048 -10.276 -7.060 1.00 0.00 C ATOM 418 O GLY A 27 15.492 -11.355 -7.483 1.00 0.00 O ATOM 0 H GLY A 27 11.800 -10.629 -7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.674 -9.774 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.590 -8.733 -7.197 1.00 0.00 H new ATOM 422 N ALA A 28 15.698 -9.509 -6.187 1.00 0.00 N ATOM 423 CA ALA A 28 16.993 -9.887 -5.654 1.00 0.00 C ATOM 424 C ALA A 28 16.824 -11.086 -4.735 1.00 0.00 C ATOM 425 O ALA A 28 17.384 -12.157 -4.959 1.00 0.00 O ATOM 426 CB ALA A 28 17.625 -8.717 -4.908 1.00 0.00 C ATOM 0 H ALA A 28 15.342 -8.620 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 28 17.658 -10.157 -6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.596 -9.018 -4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.755 -7.877 -5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.977 -8.418 -4.084 1.00 0.00 H new ATOM 432 N THR A 29 16.039 -10.885 -3.726 1.00 0.00 N ATOM 433 CA THR A 29 15.642 -11.860 -2.751 1.00 0.00 C ATOM 434 C THR A 29 14.442 -11.192 -2.077 1.00 0.00 C ATOM 435 O THR A 29 14.267 -9.973 -2.261 1.00 0.00 O ATOM 436 CB THR A 29 16.772 -12.128 -1.692 1.00 0.00 C ATOM 437 OG1 THR A 29 18.022 -12.425 -2.343 1.00 0.00 O ATOM 438 CG2 THR A 29 16.426 -13.306 -0.795 1.00 0.00 C ATOM 0 H THR A 29 15.627 -9.970 -3.545 1.00 0.00 H new ATOM 0 HA THR A 29 15.425 -12.831 -3.197 1.00 0.00 H new ATOM 0 HB THR A 29 16.860 -11.222 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.713 -12.587 -1.667 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.229 -13.463 -0.075 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.497 -13.098 -0.263 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.303 -14.202 -1.403 1.00 0.00 H new ATOM 446 N GLU A 30 13.647 -11.912 -1.301 1.00 0.00 N ATOM 447 CA GLU A 30 12.448 -11.335 -0.667 1.00 0.00 C ATOM 448 C GLU A 30 12.763 -10.268 0.407 1.00 0.00 C ATOM 449 O GLU A 30 11.873 -9.755 1.082 1.00 0.00 O ATOM 450 CB GLU A 30 11.488 -12.413 -0.164 1.00 0.00 C ATOM 451 CG GLU A 30 12.078 -13.395 0.818 1.00 0.00 C ATOM 452 CD GLU A 30 11.071 -14.431 1.227 1.00 0.00 C ATOM 453 OE1 GLU A 30 10.977 -15.488 0.559 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.355 -14.222 2.214 1.00 0.00 O ATOM 0 H GLU A 30 13.801 -12.898 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 30 11.929 -10.793 -1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.633 -11.925 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.108 -12.967 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.944 -13.883 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.433 -12.862 1.700 1.00 0.00 H new ATOM 461 N GLU A 31 14.036 -9.916 0.524 1.00 0.00 N ATOM 462 CA GLU A 31 14.460 -8.785 1.322 1.00 0.00 C ATOM 463 C GLU A 31 13.929 -7.511 0.648 1.00 0.00 C ATOM 464 O GLU A 31 13.721 -6.489 1.295 1.00 0.00 O ATOM 465 CB GLU A 31 15.999 -8.712 1.400 1.00 0.00 C ATOM 466 CG GLU A 31 16.682 -8.505 0.043 1.00 0.00 C ATOM 467 CD GLU A 31 18.167 -8.281 0.147 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.584 -7.135 0.381 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.939 -9.236 -0.015 1.00 0.00 O ATOM 0 H GLU A 31 14.801 -10.411 0.066 1.00 0.00 H new ATOM 0 HA GLU A 31 14.073 -8.888 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.281 -7.896 2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.374 -9.632 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.497 -9.377 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.228 -7.650 -0.457 1.00 0.00 H new ATOM 476 N ASP A 32 13.714 -7.609 -0.671 1.00 0.00 N ATOM 477 CA ASP A 32 13.189 -6.517 -1.461 1.00 0.00 C ATOM 478 C ASP A 32 11.733 -6.326 -1.083 1.00 0.00 C ATOM 479 O ASP A 32 11.286 -5.219 -0.796 1.00 0.00 O ATOM 480 CB ASP A 32 13.307 -6.832 -2.953 1.00 0.00 C ATOM 481 CG ASP A 32 13.023 -5.623 -3.805 1.00 0.00 C ATOM 482 OD1 ASP A 32 13.979 -4.866 -4.104 1.00 0.00 O ATOM 483 OD2 ASP A 32 11.886 -5.410 -4.223 1.00 0.00 O ATOM 0 H ASP A 32 13.904 -8.454 -1.209 1.00 0.00 H new ATOM 0 HA ASP A 32 13.756 -5.607 -1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.310 -7.201 -3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.612 -7.630 -3.212 1.00 0.00 H new ATOM 488 N ASP A 33 11.030 -7.449 -1.028 1.00 0.00 N ATOM 489 CA ASP A 33 9.627 -7.532 -0.580 1.00 0.00 C ATOM 490 C ASP A 33 9.460 -6.869 0.776 1.00 0.00 C ATOM 491 O ASP A 33 8.677 -5.914 0.938 1.00 0.00 O ATOM 492 CB ASP A 33 9.223 -9.028 -0.471 1.00 0.00 C ATOM 493 CG ASP A 33 7.858 -9.301 0.180 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.737 -9.197 1.434 1.00 0.00 O ATOM 495 OD2 ASP A 33 6.919 -9.717 -0.534 1.00 0.00 O ATOM 0 H ASP A 33 11.418 -8.353 -1.297 1.00 0.00 H new ATOM 0 HA ASP A 33 8.992 -7.018 -1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.221 -9.459 -1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.989 -9.552 0.100 1.00 0.00 H new ATOM 500 N ASN A 34 10.253 -7.325 1.733 1.00 0.00 N ATOM 501 CA ASN A 34 10.103 -6.893 3.105 1.00 0.00 C ATOM 502 C ASN A 34 10.410 -5.409 3.321 1.00 0.00 C ATOM 503 O ASN A 34 9.818 -4.781 4.207 1.00 0.00 O ATOM 504 CB ASN A 34 10.853 -7.810 4.117 1.00 0.00 C ATOM 505 CG ASN A 34 12.380 -7.621 4.234 1.00 0.00 C ATOM 506 OD1 ASN A 34 12.912 -6.529 4.112 1.00 0.00 O ATOM 507 ND2 ASN A 34 13.085 -8.693 4.457 1.00 0.00 N ATOM 0 H ASN A 34 11.007 -7.995 1.580 1.00 0.00 H new ATOM 0 HA ASN A 34 9.040 -7.004 3.319 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.416 -7.655 5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.660 -8.847 3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.100 -8.629 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.622 -9.596 4.556 1.00 0.00 H new ATOM 514 N LYS A 35 11.315 -4.839 2.533 1.00 0.00 N ATOM 515 CA LYS A 35 11.638 -3.431 2.688 1.00 0.00 C ATOM 516 C LYS A 35 10.576 -2.580 2.056 1.00 0.00 C ATOM 517 O LYS A 35 10.230 -1.534 2.596 1.00 0.00 O ATOM 518 CB LYS A 35 13.016 -3.066 2.138 1.00 0.00 C ATOM 519 CG LYS A 35 13.192 -3.325 0.659 1.00 0.00 C ATOM 520 CD LYS A 35 14.562 -2.939 0.182 1.00 0.00 C ATOM 521 CE LYS A 35 14.787 -1.429 0.198 1.00 0.00 C ATOM 522 NZ LYS A 35 13.824 -0.690 -0.666 1.00 0.00 N ATOM 0 H LYS A 35 11.828 -5.321 1.795 1.00 0.00 H new ATOM 0 HA LYS A 35 11.672 -3.234 3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.203 -2.010 2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.772 -3.630 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.020 -4.381 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.442 -2.765 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.311 -3.421 0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.709 -3.313 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.702 -1.065 1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.803 -1.215 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.301 0.128 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.475 -1.321 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.023 -0.360 -0.090 1.00 0.00 H new ATOM 536 N LEU A 36 10.029 -3.053 0.927 1.00 0.00 N ATOM 537 CA LEU A 36 8.966 -2.341 0.250 1.00 0.00 C ATOM 538 C LEU A 36 7.804 -2.177 1.176 1.00 0.00 C ATOM 539 O LEU A 36 7.343 -1.070 1.395 1.00 0.00 O ATOM 540 CB LEU A 36 8.511 -3.044 -1.034 1.00 0.00 C ATOM 541 CG LEU A 36 9.509 -3.089 -2.188 1.00 0.00 C ATOM 542 CD1 LEU A 36 8.893 -3.793 -3.382 1.00 0.00 C ATOM 543 CD2 LEU A 36 9.954 -1.686 -2.571 1.00 0.00 C ATOM 0 H LEU A 36 10.312 -3.922 0.475 1.00 0.00 H new ATOM 0 HA LEU A 36 9.360 -1.367 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.238 -4.069 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.605 -2.551 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 36 10.387 -3.647 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.613 -3.820 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.622 -4.811 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.001 -3.254 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.665 -1.742 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.087 -1.101 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.429 -1.208 -1.714 1.00 0.00 H new ATOM 555 N VAL A 37 7.383 -3.278 1.777 1.00 0.00 N ATOM 556 CA VAL A 37 6.272 -3.251 2.712 1.00 0.00 C ATOM 557 C VAL A 37 6.532 -2.234 3.820 1.00 0.00 C ATOM 558 O VAL A 37 5.687 -1.427 4.119 1.00 0.00 O ATOM 559 CB VAL A 37 6.004 -4.626 3.360 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.800 -4.530 4.270 1.00 0.00 C ATOM 561 CG2 VAL A 37 5.781 -5.696 2.319 1.00 0.00 C ATOM 0 H VAL A 37 7.794 -4.200 1.634 1.00 0.00 H new ATOM 0 HA VAL A 37 5.393 -2.970 2.132 1.00 0.00 H new ATOM 0 HB VAL A 37 6.883 -4.906 3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.611 -5.501 4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.991 -3.793 5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.929 -4.227 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.595 -6.650 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.921 -5.432 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.666 -5.780 1.688 1.00 0.00 H new ATOM 571 N ARG A 38 7.733 -2.250 4.358 1.00 0.00 N ATOM 572 CA ARG A 38 8.092 -1.353 5.441 1.00 0.00 C ATOM 573 C ARG A 38 8.046 0.117 5.026 1.00 0.00 C ATOM 574 O ARG A 38 7.409 0.937 5.705 1.00 0.00 O ATOM 575 CB ARG A 38 9.454 -1.716 6.025 1.00 0.00 C ATOM 576 CG ARG A 38 9.438 -3.010 6.810 1.00 0.00 C ATOM 577 CD ARG A 38 10.801 -3.348 7.368 1.00 0.00 C ATOM 578 NE ARG A 38 11.739 -3.840 6.341 1.00 0.00 N ATOM 579 CZ ARG A 38 13.079 -3.713 6.401 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.638 -2.896 7.289 1.00 0.00 N ATOM 581 NH2 ARG A 38 13.846 -4.392 5.562 1.00 0.00 N ATOM 0 H ARG A 38 8.482 -2.877 4.063 1.00 0.00 H new ATOM 0 HA ARG A 38 7.339 -1.483 6.218 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.179 -1.798 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.791 -0.908 6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.721 -2.930 7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.098 -3.821 6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.223 -2.462 7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.692 -4.105 8.145 1.00 0.00 H new ATOM 0 HE ARG A 38 11.344 -4.310 5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.052 -2.361 7.930 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.653 -2.804 7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.422 -5.011 4.871 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.860 -4.296 5.607 1.00 0.00 H new ATOM 595 N GLU A 39 8.673 0.451 3.909 1.00 0.00 N ATOM 596 CA GLU A 39 8.724 1.835 3.463 1.00 0.00 C ATOM 597 C GLU A 39 7.346 2.324 3.023 1.00 0.00 C ATOM 598 O GLU A 39 7.018 3.503 3.198 1.00 0.00 O ATOM 599 CB GLU A 39 9.792 2.044 2.373 1.00 0.00 C ATOM 600 CG GLU A 39 9.507 1.358 1.048 1.00 0.00 C ATOM 601 CD GLU A 39 10.701 1.368 0.121 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.642 0.549 0.309 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.739 2.201 -0.812 1.00 0.00 O ATOM 0 H GLU A 39 9.151 -0.212 3.298 1.00 0.00 H new ATOM 0 HA GLU A 39 9.025 2.446 4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.901 3.114 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.749 1.685 2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.204 0.327 1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.668 1.853 0.559 1.00 0.00 H new ATOM 610 N PHE A 40 6.534 1.424 2.484 1.00 0.00 N ATOM 611 CA PHE A 40 5.188 1.771 2.092 1.00 0.00 C ATOM 612 C PHE A 40 4.266 1.886 3.301 1.00 0.00 C ATOM 613 O PHE A 40 3.422 2.766 3.352 1.00 0.00 O ATOM 614 CB PHE A 40 4.608 0.813 1.044 1.00 0.00 C ATOM 615 CG PHE A 40 5.202 0.939 -0.354 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.027 2.093 -1.096 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.892 -0.112 -0.932 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.532 2.191 -2.380 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.403 -0.018 -2.209 1.00 0.00 C ATOM 620 CZ PHE A 40 6.223 1.132 -2.935 1.00 0.00 C ATOM 0 H PHE A 40 6.790 0.452 2.311 1.00 0.00 H new ATOM 0 HA PHE A 40 5.251 2.751 1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.753 -0.210 1.391 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.533 0.979 0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.490 2.927 -0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.033 -1.024 -0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.386 3.097 -2.949 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.944 -0.849 -2.637 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.620 1.209 -3.936 1.00 0.00 H new ATOM 630 N GLU A 41 4.466 1.031 4.287 1.00 0.00 N ATOM 631 CA GLU A 41 3.666 1.044 5.501 1.00 0.00 C ATOM 632 C GLU A 41 3.831 2.275 6.362 1.00 0.00 C ATOM 633 O GLU A 41 2.986 2.588 7.189 1.00 0.00 O ATOM 634 CB GLU A 41 3.794 -0.248 6.286 1.00 0.00 C ATOM 635 CG GLU A 41 2.732 -1.204 5.835 1.00 0.00 C ATOM 636 CD GLU A 41 1.407 -0.533 5.987 1.00 0.00 C ATOM 637 OE1 GLU A 41 0.991 -0.341 7.147 1.00 0.00 O ATOM 638 OE2 GLU A 41 0.761 -0.195 4.987 1.00 0.00 O ATOM 0 H GLU A 41 5.186 0.309 4.270 1.00 0.00 H new ATOM 0 HA GLU A 41 2.635 1.108 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.781 -0.684 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.694 -0.051 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.896 -1.492 4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.766 -2.118 6.428 1.00 0.00 H new ATOM 645 N ARG A 42 4.888 2.989 6.175 1.00 0.00 N ATOM 646 CA ARG A 42 5.058 4.228 6.903 1.00 0.00 C ATOM 647 C ARG A 42 4.284 5.313 6.205 1.00 0.00 C ATOM 648 O ARG A 42 3.756 6.222 6.822 1.00 0.00 O ATOM 649 CB ARG A 42 6.502 4.598 6.951 1.00 0.00 C ATOM 650 CG ARG A 42 6.788 5.777 7.846 1.00 0.00 C ATOM 651 CD ARG A 42 8.270 6.071 7.903 1.00 0.00 C ATOM 652 NE ARG A 42 8.803 6.435 6.578 1.00 0.00 N ATOM 653 CZ ARG A 42 9.939 5.958 6.039 1.00 0.00 C ATOM 654 NH1 ARG A 42 10.669 5.048 6.694 1.00 0.00 N ATOM 655 NH2 ARG A 42 10.333 6.392 4.848 1.00 0.00 N ATOM 0 H ARG A 42 5.646 2.752 5.536 1.00 0.00 H new ATOM 0 HA ARG A 42 4.691 4.105 7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.078 3.740 7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.845 4.826 5.942 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.254 6.654 7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.416 5.574 8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.453 6.884 8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.800 5.197 8.282 1.00 0.00 H new ATOM 0 HE ARG A 42 8.267 7.103 6.025 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.365 4.712 7.608 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.530 4.690 6.280 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.775 7.083 4.347 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.194 6.034 4.434 1.00 0.00 H new ATOM 669 N LEU A 43 4.220 5.184 4.918 1.00 0.00 N ATOM 670 CA LEU A 43 3.501 6.114 4.060 1.00 0.00 C ATOM 671 C LEU A 43 1.986 6.050 4.343 1.00 0.00 C ATOM 672 O LEU A 43 1.271 7.047 4.242 1.00 0.00 O ATOM 673 CB LEU A 43 3.802 5.770 2.590 1.00 0.00 C ATOM 674 CG LEU A 43 5.266 5.881 2.162 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.448 5.379 0.739 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.740 7.320 2.275 1.00 0.00 C ATOM 0 H LEU A 43 4.669 4.421 4.411 1.00 0.00 H new ATOM 0 HA LEU A 43 3.831 7.133 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.465 4.751 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.208 6.427 1.955 1.00 0.00 H new ATOM 0 HG LEU A 43 5.866 5.259 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.496 5.466 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.142 4.335 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.837 5.975 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.784 7.385 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.132 7.955 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.645 7.654 3.308 1.00 0.00 H new ATOM 688 N THR A 44 1.531 4.894 4.736 1.00 0.00 N ATOM 689 CA THR A 44 0.130 4.651 5.012 1.00 0.00 C ATOM 690 C THR A 44 -0.164 4.835 6.478 1.00 0.00 C ATOM 691 O THR A 44 -1.268 5.311 6.870 1.00 0.00 O ATOM 692 CB THR A 44 -0.185 3.216 4.624 1.00 0.00 C ATOM 693 OG1 THR A 44 0.783 2.381 5.231 1.00 0.00 O ATOM 694 CG2 THR A 44 -0.094 3.077 3.143 1.00 0.00 C ATOM 0 H THR A 44 2.126 4.078 4.878 1.00 0.00 H new ATOM 0 HA THR A 44 -0.478 5.356 4.444 1.00 0.00 H new ATOM 0 HB THR A 44 -1.188 2.941 4.950 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.842 1.536 4.738 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.319 2.049 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.810 3.749 2.670 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.914 3.331 2.815 1.00 0.00 H new ATOM 702 N GLU A 45 0.841 4.454 7.294 1.00 0.00 N ATOM 703 CA GLU A 45 0.767 4.422 8.747 1.00 0.00 C ATOM 704 C GLU A 45 -0.373 3.476 9.083 1.00 0.00 C ATOM 705 O GLU A 45 -1.104 3.667 10.069 1.00 0.00 O ATOM 706 CB GLU A 45 0.451 5.799 9.324 1.00 0.00 C ATOM 707 CG GLU A 45 1.233 6.964 8.767 1.00 0.00 C ATOM 708 CD GLU A 45 0.847 8.249 9.444 1.00 0.00 C ATOM 709 OE1 GLU A 45 -0.365 8.619 9.404 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.706 8.879 10.091 1.00 0.00 O ATOM 0 H GLU A 45 1.748 4.154 6.937 1.00 0.00 H new ATOM 0 HA GLU A 45 1.721 4.105 9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.610 5.997 9.170 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.616 5.763 10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.300 6.786 8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.054 7.046 7.695 1.00 0.00 H new ATOM 717 N HIS A 46 -0.527 2.462 8.253 1.00 0.00 N ATOM 718 CA HIS A 46 -1.649 1.598 8.332 1.00 0.00 C ATOM 719 C HIS A 46 -1.412 0.476 9.380 1.00 0.00 C ATOM 720 O HIS A 46 -0.337 -0.066 9.497 1.00 0.00 O ATOM 721 CB HIS A 46 -2.032 1.069 6.911 1.00 0.00 C ATOM 722 CG HIS A 46 -3.352 0.379 6.866 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.564 -0.885 7.337 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.569 0.871 6.559 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.878 -1.101 7.350 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.532 -0.073 6.873 1.00 0.00 N ATOM 0 H HIS A 46 0.133 2.229 7.511 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.514 2.156 8.691 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.045 1.906 6.213 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.260 0.380 6.569 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.762 1.846 6.136 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.344 -2.007 7.708 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.542 0.015 6.757 1.00 0.00 H new ATOM 734 N PRO A 47 -2.413 0.185 10.192 1.00 0.00 N ATOM 735 CA PRO A 47 -2.325 -0.804 11.270 1.00 0.00 C ATOM 736 C PRO A 47 -1.983 -2.185 10.809 1.00 0.00 C ATOM 737 O PRO A 47 -1.056 -2.808 11.285 1.00 0.00 O ATOM 738 CB PRO A 47 -3.721 -0.825 11.849 1.00 0.00 C ATOM 739 CG PRO A 47 -4.580 -0.023 10.955 1.00 0.00 C ATOM 740 CD PRO A 47 -3.700 0.835 10.159 1.00 0.00 C ATOM 0 HA PRO A 47 -1.531 -0.528 11.964 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.091 -1.848 11.922 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.725 -0.412 12.858 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.172 -0.671 10.309 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.282 0.578 11.534 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.065 0.935 9.137 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.645 1.840 10.577 1.00 0.00 H new ATOM 748 N ASP A 48 -2.692 -2.620 9.838 1.00 0.00 N ATOM 749 CA ASP A 48 -2.595 -3.957 9.382 1.00 0.00 C ATOM 750 C ASP A 48 -2.047 -3.919 8.022 1.00 0.00 C ATOM 751 O ASP A 48 -2.260 -4.801 7.256 1.00 0.00 O ATOM 752 CB ASP A 48 -3.972 -4.651 9.345 1.00 0.00 C ATOM 753 CG ASP A 48 -4.594 -4.855 10.697 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.936 -5.419 11.592 1.00 0.00 O ATOM 755 OD2 ASP A 48 -5.760 -4.482 10.879 1.00 0.00 O ATOM 0 H ASP A 48 -3.367 -2.050 9.328 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.958 -4.521 10.064 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.649 -4.057 8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.865 -5.619 8.856 1.00 0.00 H new ATOM 760 N GLY A 49 -1.341 -2.859 7.728 1.00 0.00 N ATOM 761 CA GLY A 49 -0.791 -2.670 6.376 1.00 0.00 C ATOM 762 C GLY A 49 0.119 -3.756 5.946 1.00 0.00 C ATOM 763 O GLY A 49 -0.010 -4.286 4.843 1.00 0.00 O ATOM 0 H GLY A 49 -1.125 -2.110 8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.614 -2.595 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.253 -1.722 6.341 1.00 0.00 H new ATOM 767 N SER A 50 1.002 -4.114 6.801 1.00 0.00 N ATOM 768 CA SER A 50 1.902 -5.213 6.508 1.00 0.00 C ATOM 769 C SER A 50 1.094 -6.515 6.403 1.00 0.00 C ATOM 770 O SER A 50 1.259 -7.309 5.456 1.00 0.00 O ATOM 771 CB SER A 50 3.002 -5.298 7.569 1.00 0.00 C ATOM 772 OG SER A 50 2.451 -5.373 8.880 1.00 0.00 O ATOM 0 H SER A 50 1.137 -3.677 7.713 1.00 0.00 H new ATOM 0 HA SER A 50 2.397 -5.045 5.552 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.623 -6.174 7.383 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.651 -4.425 7.494 1.00 0.00 H new ATOM 0 HG SER A 50 3.176 -5.428 9.537 1.00 0.00 H new ATOM 778 N ASP A 51 0.166 -6.667 7.339 1.00 0.00 N ATOM 779 CA ASP A 51 -0.752 -7.796 7.397 1.00 0.00 C ATOM 780 C ASP A 51 -1.527 -7.921 6.102 1.00 0.00 C ATOM 781 O ASP A 51 -1.738 -9.000 5.642 1.00 0.00 O ATOM 782 CB ASP A 51 -1.754 -7.635 8.548 1.00 0.00 C ATOM 783 CG ASP A 51 -1.141 -7.637 9.928 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.487 -6.639 10.312 1.00 0.00 O ATOM 785 OD2 ASP A 51 -1.350 -8.611 10.683 1.00 0.00 O ATOM 0 H ASP A 51 0.028 -5.995 8.094 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.152 -8.691 7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.298 -6.701 8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.485 -8.441 8.490 1.00 0.00 H new ATOM 790 N LEU A 52 -1.905 -6.778 5.509 1.00 0.00 N ATOM 791 CA LEU A 52 -2.691 -6.710 4.260 1.00 0.00 C ATOM 792 C LEU A 52 -2.078 -7.522 3.164 1.00 0.00 C ATOM 793 O LEU A 52 -2.769 -8.212 2.412 1.00 0.00 O ATOM 794 CB LEU A 52 -2.834 -5.262 3.740 1.00 0.00 C ATOM 795 CG LEU A 52 -3.591 -4.271 4.611 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.607 -2.908 3.959 1.00 0.00 C ATOM 797 CD2 LEU A 52 -5.002 -4.739 4.853 1.00 0.00 C ATOM 0 H LEU A 52 -1.671 -5.860 5.887 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.671 -7.112 4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.833 -4.865 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.328 -5.301 2.769 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.079 -4.203 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.152 -2.208 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.584 -2.556 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.097 -2.975 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.524 -4.014 5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.522 -4.836 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.983 -5.706 5.356 1.00 0.00 H new ATOM 809 N ILE A 53 -0.796 -7.449 3.104 1.00 0.00 N ATOM 810 CA ILE A 53 -0.034 -8.046 2.045 1.00 0.00 C ATOM 811 C ILE A 53 0.244 -9.492 2.360 1.00 0.00 C ATOM 812 O ILE A 53 0.130 -10.378 1.511 1.00 0.00 O ATOM 813 CB ILE A 53 1.295 -7.287 1.921 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.999 -5.804 1.700 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.177 -7.863 0.804 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.202 -4.929 1.740 1.00 0.00 C ATOM 0 H ILE A 53 -0.228 -6.965 3.799 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.593 -7.992 1.111 1.00 0.00 H new ATOM 0 HB ILE A 53 1.861 -7.405 2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.508 -5.683 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.294 -5.468 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.108 -7.299 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.399 -8.909 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.651 -7.791 -0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.904 -3.894 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.684 -5.017 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.900 -5.235 0.961 1.00 0.00 H new ATOM 828 N TYR A 54 0.562 -9.723 3.583 1.00 0.00 N ATOM 829 CA TYR A 54 0.999 -11.006 4.021 1.00 0.00 C ATOM 830 C TYR A 54 -0.138 -11.991 4.335 1.00 0.00 C ATOM 831 O TYR A 54 0.035 -13.205 4.191 1.00 0.00 O ATOM 832 CB TYR A 54 1.946 -10.842 5.201 1.00 0.00 C ATOM 833 CG TYR A 54 3.278 -10.198 4.840 1.00 0.00 C ATOM 834 CD1 TYR A 54 4.080 -10.736 3.842 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.729 -9.058 5.490 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.286 -10.160 3.508 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.940 -8.477 5.166 1.00 0.00 C ATOM 838 CZ TYR A 54 5.716 -9.030 4.172 1.00 0.00 C ATOM 839 OH TYR A 54 6.955 -8.469 3.863 1.00 0.00 O ATOM 0 H TYR A 54 0.527 -9.019 4.320 1.00 0.00 H new ATOM 0 HA TYR A 54 1.527 -11.463 3.184 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.457 -10.238 5.965 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.135 -11.821 5.641 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.752 -11.622 3.318 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.121 -8.616 6.265 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.894 -10.593 2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.276 -7.594 5.689 1.00 0.00 H new ATOM 0 HH TYR A 54 7.226 -8.750 2.964 1.00 0.00 H new ATOM 849 N TYR A 55 -1.282 -11.487 4.750 1.00 0.00 N ATOM 850 CA TYR A 55 -2.398 -12.303 5.144 1.00 0.00 C ATOM 851 C TYR A 55 -3.691 -11.612 4.714 1.00 0.00 C ATOM 852 O TYR A 55 -3.710 -10.415 4.497 1.00 0.00 O ATOM 853 CB TYR A 55 -2.410 -12.489 6.689 1.00 0.00 C ATOM 854 CG TYR A 55 -1.153 -13.119 7.255 1.00 0.00 C ATOM 855 CD1 TYR A 55 -0.948 -14.489 7.186 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.158 -12.335 7.829 1.00 0.00 C ATOM 857 CE1 TYR A 55 0.207 -15.061 7.675 1.00 0.00 C ATOM 858 CE2 TYR A 55 1.003 -12.898 8.312 1.00 0.00 C ATOM 859 CZ TYR A 55 1.181 -14.263 8.232 1.00 0.00 C ATOM 860 OH TYR A 55 2.345 -14.830 8.708 1.00 0.00 O ATOM 0 H TYR A 55 -1.459 -10.485 4.822 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.314 -13.281 4.669 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.557 -11.516 7.158 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.266 -13.107 6.961 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.706 -15.118 6.742 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.298 -11.266 7.897 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.347 -16.131 7.621 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.768 -12.275 8.750 1.00 0.00 H new ATOM 0 HH TYR A 55 2.927 -14.129 9.068 1.00 0.00 H new ATOM 870 N PRO A 56 -4.752 -12.355 4.515 1.00 0.00 N ATOM 871 CA PRO A 56 -6.076 -11.783 4.255 1.00 0.00 C ATOM 872 C PRO A 56 -6.693 -11.217 5.557 1.00 0.00 C ATOM 873 O PRO A 56 -6.267 -11.584 6.671 1.00 0.00 O ATOM 874 CB PRO A 56 -6.880 -12.992 3.760 1.00 0.00 C ATOM 875 CG PRO A 56 -6.207 -14.171 4.380 1.00 0.00 C ATOM 876 CD PRO A 56 -4.750 -13.816 4.463 1.00 0.00 C ATOM 0 HA PRO A 56 -6.056 -10.955 3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.924 -12.926 4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.870 -13.056 2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.615 -14.379 5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.357 -15.068 3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.282 -14.248 5.348 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.198 -14.185 3.599 1.00 0.00 H new ATOM 884 N ARG A 57 -7.658 -10.318 5.438 1.00 0.00 N ATOM 885 CA ARG A 57 -8.312 -9.786 6.630 1.00 0.00 C ATOM 886 C ARG A 57 -9.590 -10.567 6.868 1.00 0.00 C ATOM 887 O ARG A 57 -9.549 -11.765 7.130 1.00 0.00 O ATOM 888 CB ARG A 57 -8.626 -8.271 6.547 1.00 0.00 C ATOM 889 CG ARG A 57 -7.478 -7.369 6.231 1.00 0.00 C ATOM 890 CD ARG A 57 -7.851 -5.912 6.423 1.00 0.00 C ATOM 891 NE ARG A 57 -7.738 -5.470 7.814 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.337 -4.385 8.319 1.00 0.00 C ATOM 893 NH1 ARG A 57 -9.330 -3.802 7.657 1.00 0.00 N ATOM 894 NH2 ARG A 57 -7.946 -3.895 9.491 1.00 0.00 N ATOM 0 H ARG A 57 -8.002 -9.947 4.552 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.616 -9.901 7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.395 -8.123 5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.053 -7.958 7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.631 -7.617 6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.158 -7.532 5.202 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.208 -5.293 5.798 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.874 -5.757 6.080 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.162 -6.029 8.443 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.638 -4.181 6.761 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.785 -2.975 8.044 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.189 -4.346 10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.402 -3.068 9.876 1.00 0.00 H new ATOM 908 N ASP A 58 -10.707 -9.911 6.739 1.00 0.00 N ATOM 909 CA ASP A 58 -11.986 -10.563 6.879 1.00 0.00 C ATOM 910 C ASP A 58 -12.762 -10.430 5.580 1.00 0.00 C ATOM 911 O ASP A 58 -12.927 -11.398 4.843 1.00 0.00 O ATOM 912 CB ASP A 58 -12.787 -9.963 8.047 1.00 0.00 C ATOM 913 CG ASP A 58 -14.083 -10.706 8.314 1.00 0.00 C ATOM 914 OD1 ASP A 58 -15.095 -10.435 7.644 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.106 -11.572 9.210 1.00 0.00 O ATOM 0 H ASP A 58 -10.762 -8.913 6.535 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.822 -11.618 7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.173 -9.977 8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.010 -8.918 7.830 1.00 0.00 H new ATOM 920 N ASP A 59 -13.163 -9.211 5.272 1.00 0.00 N ATOM 921 CA ASP A 59 -13.974 -8.916 4.089 1.00 0.00 C ATOM 922 C ASP A 59 -13.120 -8.301 2.979 1.00 0.00 C ATOM 923 O ASP A 59 -13.615 -8.033 1.887 1.00 0.00 O ATOM 924 CB ASP A 59 -15.101 -7.922 4.455 1.00 0.00 C ATOM 925 CG ASP A 59 -14.674 -6.445 4.446 1.00 0.00 C ATOM 926 OD1 ASP A 59 -13.685 -6.060 5.125 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.317 -5.636 3.735 1.00 0.00 O ATOM 0 H ASP A 59 -12.938 -8.389 5.833 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.401 -9.854 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.926 -8.053 3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.481 -8.172 5.446 1.00 0.00 H new ATOM 932 N ARG A 60 -11.845 -8.057 3.283 1.00 0.00 N ATOM 933 CA ARG A 60 -10.940 -7.410 2.379 1.00 0.00 C ATOM 934 C ARG A 60 -10.837 -8.125 1.058 1.00 0.00 C ATOM 935 O ARG A 60 -10.518 -9.311 0.987 1.00 0.00 O ATOM 936 CB ARG A 60 -9.594 -7.237 3.051 1.00 0.00 C ATOM 937 CG ARG A 60 -8.622 -6.297 2.373 1.00 0.00 C ATOM 938 CD ARG A 60 -7.812 -6.930 1.233 1.00 0.00 C ATOM 939 NE ARG A 60 -6.732 -7.822 1.716 1.00 0.00 N ATOM 940 CZ ARG A 60 -6.320 -8.973 1.127 1.00 0.00 C ATOM 941 NH1 ARG A 60 -7.016 -9.524 0.152 1.00 0.00 N ATOM 942 NH2 ARG A 60 -5.211 -9.564 1.545 1.00 0.00 N ATOM 0 H ARG A 60 -11.423 -8.312 4.176 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.336 -6.423 2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.762 -6.880 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.123 -8.217 3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.176 -5.445 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.930 -5.909 3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.484 -7.498 0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.377 -6.140 0.622 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.253 -7.545 2.573 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.878 -9.085 -0.170 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.692 -10.389 -0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.670 -9.154 2.307 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.897 -10.429 1.105 1.00 0.00 H new ATOM 956 N GLU A 61 -11.098 -7.363 0.051 1.00 0.00 N ATOM 957 CA GLU A 61 -11.086 -7.787 -1.344 1.00 0.00 C ATOM 958 C GLU A 61 -9.731 -8.354 -1.702 1.00 0.00 C ATOM 959 O GLU A 61 -8.701 -7.705 -1.500 1.00 0.00 O ATOM 960 CB GLU A 61 -11.390 -6.586 -2.244 1.00 0.00 C ATOM 961 CG GLU A 61 -11.333 -6.882 -3.735 1.00 0.00 C ATOM 962 CD GLU A 61 -12.347 -7.906 -4.162 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.051 -9.108 -4.128 1.00 0.00 O ATOM 964 OE2 GLU A 61 -13.460 -7.515 -4.544 1.00 0.00 O ATOM 0 H GLU A 61 -11.339 -6.378 0.163 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.844 -8.557 -1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.383 -6.208 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.681 -5.790 -2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.498 -5.959 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.335 -7.235 -3.993 1.00 0.00 H new ATOM 971 N ASP A 62 -9.704 -9.529 -2.243 1.00 0.00 N ATOM 972 CA ASP A 62 -8.447 -10.135 -2.543 1.00 0.00 C ATOM 973 C ASP A 62 -8.021 -9.822 -3.943 1.00 0.00 C ATOM 974 O ASP A 62 -8.263 -10.573 -4.886 1.00 0.00 O ATOM 975 CB ASP A 62 -8.412 -11.621 -2.258 1.00 0.00 C ATOM 976 CG ASP A 62 -7.004 -12.158 -2.336 1.00 0.00 C ATOM 977 OD1 ASP A 62 -6.285 -12.081 -1.310 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.590 -12.644 -3.411 1.00 0.00 O ATOM 0 H ASP A 62 -10.526 -10.083 -2.484 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.720 -9.693 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.823 -11.814 -1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.045 -12.146 -2.973 1.00 0.00 H new ATOM 983 N SER A 63 -7.537 -8.637 -4.088 1.00 0.00 N ATOM 984 CA SER A 63 -6.988 -8.147 -5.305 1.00 0.00 C ATOM 985 C SER A 63 -5.911 -7.154 -4.905 1.00 0.00 C ATOM 986 O SER A 63 -6.002 -6.604 -3.798 1.00 0.00 O ATOM 987 CB SER A 63 -8.088 -7.419 -6.095 1.00 0.00 C ATOM 988 OG SER A 63 -9.235 -8.238 -6.279 1.00 0.00 O ATOM 0 H SER A 63 -7.512 -7.955 -3.330 1.00 0.00 H new ATOM 0 HA SER A 63 -6.586 -8.949 -5.925 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.372 -6.508 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.698 -7.116 -7.067 1.00 0.00 H new ATOM 0 HG SER A 63 -9.913 -7.742 -6.783 1.00 0.00 H new ATOM 994 N PRO A 64 -4.877 -6.914 -5.740 1.00 0.00 N ATOM 995 CA PRO A 64 -3.890 -5.848 -5.484 1.00 0.00 C ATOM 996 C PRO A 64 -4.629 -4.510 -5.243 1.00 0.00 C ATOM 997 O PRO A 64 -4.319 -3.762 -4.320 1.00 0.00 O ATOM 998 CB PRO A 64 -3.053 -5.825 -6.797 1.00 0.00 C ATOM 999 CG PRO A 64 -3.149 -7.218 -7.302 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.537 -7.698 -6.951 1.00 0.00 C ATOM 0 HA PRO A 64 -3.267 -6.008 -4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.455 -5.110 -7.515 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.019 -5.539 -6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.985 -7.254 -8.379 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.390 -7.852 -6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.243 -7.513 -7.761 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.553 -8.770 -6.753 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.666 -4.276 -6.041 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.519 -3.104 -5.915 1.00 0.00 C ATOM 1010 C GLU A 65 -7.278 -3.122 -4.575 1.00 0.00 C ATOM 1011 O GLU A 65 -7.431 -2.104 -3.926 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.516 -3.101 -7.058 1.00 0.00 C ATOM 1013 CG GLU A 65 -8.324 -1.834 -7.193 1.00 0.00 C ATOM 1014 CD GLU A 65 -9.368 -1.934 -8.266 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.110 -2.593 -9.301 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -10.470 -1.375 -8.096 1.00 0.00 O ATOM 0 H GLU A 65 -5.939 -4.901 -6.799 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.899 -2.208 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.978 -3.273 -7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.201 -3.939 -6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.805 -1.610 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.656 -1.002 -7.416 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.707 -4.303 -4.165 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.484 -4.459 -2.931 1.00 0.00 C ATOM 1025 C GLY A 66 -7.669 -4.208 -1.682 1.00 0.00 C ATOM 1026 O GLY A 66 -8.204 -3.803 -0.648 1.00 0.00 O ATOM 0 H GLY A 66 -7.534 -5.175 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.329 -3.771 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.896 -5.468 -2.893 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.385 -4.447 -1.767 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.489 -4.137 -0.672 1.00 0.00 C ATOM 1032 C ILE A 67 -5.340 -2.616 -0.559 1.00 0.00 C ATOM 1033 O ILE A 67 -5.380 -2.043 0.539 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.119 -4.849 -0.853 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.322 -6.377 -0.734 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -3.088 -4.337 0.151 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -3.072 -7.213 -0.925 1.00 0.00 C ATOM 0 H ILE A 67 -5.932 -4.856 -2.584 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.910 -4.511 0.261 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.726 -4.622 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.739 -6.596 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.063 -6.687 -1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.142 -4.855 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.942 -3.266 0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.443 -4.524 1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.321 -8.269 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.662 -7.032 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.333 -6.940 -0.172 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.246 -1.971 -1.711 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.195 -0.517 -1.797 1.00 0.00 C ATOM 1051 C VAL A 68 -6.498 0.066 -1.294 1.00 0.00 C ATOM 1052 O VAL A 68 -6.509 1.057 -0.581 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.943 -0.057 -3.246 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.973 1.467 -3.376 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.619 -0.572 -3.690 1.00 0.00 C ATOM 0 H VAL A 68 -5.203 -2.440 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.370 -0.163 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.740 -0.454 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.791 1.747 -4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.949 1.840 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.200 1.902 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.429 -0.253 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.839 -0.180 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.618 -1.661 -3.643 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.585 -0.578 -1.673 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.915 -0.232 -1.239 1.00 0.00 C ATOM 1067 C LYS A 69 -9.013 -0.176 0.267 1.00 0.00 C ATOM 1068 O LYS A 69 -9.551 0.777 0.803 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.895 -1.242 -1.736 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.298 -0.920 -1.323 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.135 -0.371 -2.453 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.731 1.053 -2.822 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.595 1.616 -3.872 1.00 0.00 N ATOM 0 H LYS A 69 -7.562 -1.376 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.141 0.754 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.841 -1.294 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.623 -2.227 -1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.771 -1.821 -0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.274 -0.194 -0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.033 -1.015 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.187 -0.387 -2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.779 1.685 -1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.695 1.060 -3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.287 2.584 -4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.530 1.028 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.580 1.634 -3.538 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.475 -1.182 0.942 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.538 -1.231 2.386 1.00 0.00 C ATOM 1089 C GLU A 70 -7.815 -0.019 2.974 1.00 0.00 C ATOM 1090 O GLU A 70 -8.362 0.681 3.819 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.955 -2.538 2.918 1.00 0.00 C ATOM 1092 CG GLU A 70 -8.262 -2.782 4.387 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.751 -2.968 4.655 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.514 -1.990 4.597 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -10.181 -4.105 4.964 1.00 0.00 O ATOM 0 H GLU A 70 -7.993 -1.970 0.510 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.583 -1.197 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.347 -3.368 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.874 -2.529 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.723 -3.668 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.894 -1.942 4.975 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.610 0.246 2.474 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.850 1.423 2.861 1.00 0.00 C ATOM 1104 C ILE A 71 -6.618 2.707 2.542 1.00 0.00 C ATOM 1105 O ILE A 71 -6.668 3.624 3.353 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.456 1.416 2.185 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.576 0.448 2.941 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.812 2.809 2.162 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.297 0.130 2.264 1.00 0.00 C ATOM 0 H ILE A 71 -6.138 -0.349 1.793 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.702 1.393 3.940 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.571 1.110 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.359 0.865 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.129 -0.478 3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.837 2.751 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.452 3.496 1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.689 3.170 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.727 -0.571 2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.502 -0.318 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.720 1.045 2.128 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.218 2.745 1.373 1.00 0.00 N ATOM 1122 CA LYS A 72 -8.011 3.877 0.925 1.00 0.00 C ATOM 1123 C LYS A 72 -9.172 4.156 1.863 1.00 0.00 C ATOM 1124 O LYS A 72 -9.217 5.209 2.482 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.578 3.602 -0.471 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.611 4.624 -0.916 1.00 0.00 C ATOM 1127 CD LYS A 72 -8.997 5.898 -1.421 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.500 5.731 -2.849 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.612 5.607 -3.821 1.00 0.00 N ATOM 0 H LYS A 72 -7.171 1.984 0.696 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.351 4.745 0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.760 3.587 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.031 2.611 -0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.229 4.189 -1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.272 4.852 -0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.731 6.702 -1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.169 6.189 -0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.879 6.586 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.867 4.846 -2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.248 5.750 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.034 4.659 -3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.336 6.325 -3.614 1.00 0.00 H new ATOM 1143 N GLU A 73 -10.051 3.172 2.028 1.00 0.00 N ATOM 1144 CA GLU A 73 -11.273 3.358 2.791 1.00 0.00 C ATOM 1145 C GLU A 73 -10.961 3.632 4.260 1.00 0.00 C ATOM 1146 O GLU A 73 -11.640 4.430 4.915 1.00 0.00 O ATOM 1147 CB GLU A 73 -12.188 2.138 2.651 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.538 1.755 1.207 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.244 2.848 0.426 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.427 3.100 0.674 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.641 3.437 -0.501 1.00 0.00 O ATOM 0 H GLU A 73 -9.936 2.236 1.640 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.795 4.226 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.708 1.285 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.113 2.331 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.622 1.484 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.171 0.868 1.222 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.914 3.003 4.760 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.503 3.174 6.136 1.00 0.00 C ATOM 1160 C TRP A 74 -8.970 4.581 6.363 1.00 0.00 C ATOM 1161 O TRP A 74 -9.401 5.277 7.289 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.430 2.156 6.487 1.00 0.00 C ATOM 1163 CG TRP A 74 -8.028 2.139 7.924 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.610 1.425 8.927 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.945 2.856 8.515 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.944 1.641 10.099 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.919 2.516 9.872 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.989 3.747 8.019 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.982 3.030 10.741 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -5.052 4.265 8.878 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -5.054 3.897 10.231 1.00 0.00 C ATOM 0 H TRP A 74 -9.328 2.362 4.224 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.370 3.020 6.778 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.787 1.163 6.213 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.547 2.356 5.880 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.471 0.783 8.812 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.174 1.218 10.998 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.988 4.024 6.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.980 2.759 11.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -4.310 4.959 8.510 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.303 4.309 10.889 1.00 0.00 H new ATOM 1182 N ARG A 75 -8.049 5.010 5.504 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.426 6.317 5.638 1.00 0.00 C ATOM 1184 C ARG A 75 -8.417 7.413 5.393 1.00 0.00 C ATOM 1185 O ARG A 75 -8.378 8.441 6.061 1.00 0.00 O ATOM 1186 CB ARG A 75 -6.218 6.455 4.726 1.00 0.00 C ATOM 1187 CG ARG A 75 -5.064 5.540 5.109 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.809 5.887 4.352 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.082 6.096 2.931 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.528 7.069 2.193 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.584 7.844 2.704 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.926 7.277 0.954 1.00 0.00 N ATOM 0 H ARG A 75 -7.719 4.467 4.706 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.072 6.409 6.665 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.519 6.238 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.874 7.489 4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.877 5.617 6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.337 4.504 4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.365 6.788 4.775 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.079 5.086 4.470 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.735 5.461 2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.273 7.703 3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.167 8.582 2.136 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.660 6.696 0.550 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.500 8.019 0.399 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.332 7.168 4.480 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.396 8.095 4.166 1.00 0.00 C ATOM 1208 C ALA A 76 -11.319 8.300 5.384 1.00 0.00 C ATOM 1209 O ALA A 76 -11.737 9.416 5.682 1.00 0.00 O ATOM 1210 CB ALA A 76 -11.191 7.586 2.953 1.00 0.00 C ATOM 0 H ALA A 76 -9.358 6.310 3.929 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.959 9.061 3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.991 8.289 2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.526 7.497 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.620 6.611 3.182 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.553 7.232 6.139 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.482 7.275 7.268 1.00 0.00 C ATOM 1218 C ALA A 77 -11.789 7.841 8.473 1.00 0.00 C ATOM 1219 O ALA A 77 -12.372 8.567 9.275 1.00 0.00 O ATOM 1220 CB ALA A 77 -13.007 5.882 7.582 1.00 0.00 C ATOM 0 H ALA A 77 -11.113 6.324 5.991 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.325 7.912 7.002 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.696 5.934 8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.528 5.485 6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.173 5.228 7.836 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.534 7.533 8.566 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.703 7.953 9.666 1.00 0.00 C ATOM 1228 C ASN A 78 -9.176 9.354 9.490 1.00 0.00 C ATOM 1229 O ASN A 78 -8.606 9.929 10.421 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.566 6.972 9.862 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.929 5.830 10.784 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -8.748 5.915 11.993 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.438 4.765 10.233 1.00 0.00 N ATOM 0 H ASN A 78 -10.042 6.972 7.870 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.327 7.964 10.560 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.268 6.570 8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.703 7.500 10.267 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.700 3.967 10.812 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.575 4.729 9.223 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.351 9.898 8.308 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.918 11.246 8.036 1.00 0.00 C ATOM 1242 C GLY A 79 -7.417 11.355 7.938 1.00 0.00 C ATOM 1243 O GLY A 79 -6.825 12.323 8.426 1.00 0.00 O ATOM 0 H GLY A 79 -9.791 9.425 7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.367 11.588 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.278 11.907 8.825 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.799 10.367 7.321 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.388 10.363 7.113 1.00 0.00 C ATOM 1249 C LYS A 80 -5.103 11.087 5.802 1.00 0.00 C ATOM 1250 O LYS A 80 -5.980 11.762 5.246 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.868 8.924 6.976 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.022 7.971 8.166 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.403 8.523 9.434 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.765 7.437 10.288 1.00 0.00 C ATOM 1255 NZ LYS A 80 -2.516 6.894 9.681 1.00 0.00 N ATOM 0 H LYS A 80 -7.277 9.545 6.952 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.899 10.846 7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.371 8.471 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.807 8.977 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.081 7.776 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.557 7.015 7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.649 9.266 9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.169 9.036 10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.540 7.841 11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.478 6.625 10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.084 6.207 10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.743 6.424 8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.848 7.672 9.506 1.00 0.00 H new ATOM 1269 N SER A 81 -3.903 10.922 5.313 1.00 0.00 N ATOM 1270 CA SER A 81 -3.487 11.466 4.051 1.00 0.00 C ATOM 1271 C SER A 81 -4.213 10.722 2.895 1.00 0.00 C ATOM 1272 O SER A 81 -4.897 9.705 3.123 1.00 0.00 O ATOM 1273 CB SER A 81 -1.968 11.289 3.953 1.00 0.00 C ATOM 1274 OG SER A 81 -1.420 11.860 2.775 1.00 0.00 O ATOM 0 H SER A 81 -3.173 10.394 5.792 1.00 0.00 H new ATOM 0 HA SER A 81 -3.742 12.523 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.497 11.744 4.824 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.729 10.226 3.981 1.00 0.00 H new ATOM 0 HG SER A 81 -0.450 11.720 2.764 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.064 11.217 1.684 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.688 10.605 0.539 1.00 0.00 C ATOM 1282 C GLY A 82 -3.648 10.106 -0.437 1.00 0.00 C ATOM 1283 O GLY A 82 -2.564 9.679 -0.020 1.00 0.00 O ATOM 0 H GLY A 82 -3.511 12.047 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.317 9.776 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.340 11.326 0.046 1.00 0.00 H new ATOM 1287 N PHE A 83 -3.996 10.061 -1.693 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.090 9.754 -2.748 1.00 0.00 C ATOM 1289 C PHE A 83 -3.151 10.907 -3.725 1.00 0.00 C ATOM 1290 O PHE A 83 -4.007 11.794 -3.589 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.529 8.500 -3.509 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.701 7.237 -2.704 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.605 6.567 -2.207 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.965 6.714 -2.463 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.761 5.404 -1.484 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.125 5.541 -1.738 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.017 4.888 -1.249 1.00 0.00 C ATOM 0 H PHE A 83 -4.947 10.243 -2.013 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.096 9.590 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.475 8.718 -4.004 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.797 8.305 -4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.614 6.957 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.835 7.227 -2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.891 4.893 -1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.113 5.143 -1.559 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.131 3.975 -0.683 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.280 10.906 -4.683 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.336 11.862 -5.761 1.00 0.00 C ATOM 1309 C LYS A 84 -3.270 11.273 -6.809 1.00 0.00 C ATOM 1310 O LYS A 84 -3.385 10.050 -6.922 1.00 0.00 O ATOM 1311 CB LYS A 84 -0.930 12.069 -6.333 1.00 0.00 C ATOM 1312 CG LYS A 84 -0.808 13.095 -7.460 1.00 0.00 C ATOM 1313 CD LYS A 84 0.614 13.137 -8.021 1.00 0.00 C ATOM 1314 CE LYS A 84 1.631 13.546 -6.966 1.00 0.00 C ATOM 1315 NZ LYS A 84 3.022 13.501 -7.479 1.00 0.00 N ATOM 0 H LYS A 84 -1.506 10.245 -4.747 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.700 12.834 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.270 12.372 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.564 11.110 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.509 12.848 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.084 14.082 -7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.877 12.156 -8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.654 13.838 -8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.406 14.555 -6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.542 12.885 -6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.688 13.587 -6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.182 12.598 -7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.173 14.287 -8.143 1.00 0.00 H new ATOM 1329 N GLN A 85 -3.940 12.098 -7.550 1.00 0.00 N ATOM 1330 CA GLN A 85 -4.910 11.590 -8.500 1.00 0.00 C ATOM 1331 C GLN A 85 -4.857 12.366 -9.798 1.00 0.00 C ATOM 1332 O GLN A 85 -5.817 12.398 -10.575 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.277 11.644 -7.854 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.721 13.036 -7.481 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.822 13.017 -6.478 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -9.000 12.966 -6.826 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.448 13.083 -5.224 1.00 0.00 N ATOM 0 H GLN A 85 -3.844 13.113 -7.526 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.681 10.556 -8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.008 11.210 -8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.270 11.023 -6.958 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.874 13.592 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.053 13.563 -8.375 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.456 13.123 -4.989 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.149 13.094 -4.483 1.00 0.00 H new ATOM 1346 N GLY A 86 -3.722 12.930 -10.042 1.00 0.00 N ATOM 1347 CA GLY A 86 -3.498 13.700 -11.217 1.00 0.00 C ATOM 1348 C GLY A 86 -2.567 14.820 -10.905 1.00 0.00 C ATOM 1349 O GLY A 86 -3.037 15.917 -10.561 1.00 0.00 O ATOM 1350 OXT GLY A 86 -1.360 14.600 -10.905 1.00 0.00 O ATOM 0 H GLY A 86 -2.914 12.868 -9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.078 13.071 -12.002 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.443 14.092 -11.594 1.00 0.00 H new