USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=20 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= 0.692 K(o=1.6,f=-14!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -168:sc= 0.918 (180deg=-0.446) USER MOD Set 2.1: A 5 HIS :FLIP no HD1:sc= -0.364 F(o=-0.98,f=-0.36) USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 61:sc= 0.851 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -87:sc= 0.592 USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 0.57 (180deg=0.418) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00909) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 0.896 (180deg=0.259) USER MOD Single : A 44 THR OG1 : rot -87:sc= 1.29 USER MOD Single : A 46 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-5.2) USER MOD Single : A 50 SER OG : rot -90:sc= 1.38 USER MOD Single : A 54 TYR OH : rot 46:sc= 1.29 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.373 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 1.02 (180deg=0.928) USER MOD Single : A 81 SER OG : rot 180:sc= 0.00115 USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 1.33 (180deg=1.19) USER MOD Single : A 85 GLN :FLIP amide:sc= -1.28! C(o=-3!,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 8.663 10.566 -5.064 1.00 0.00 N ATOM 36 CA LYS A 4 7.526 11.200 -4.453 1.00 0.00 C ATOM 37 C LYS A 4 8.019 12.014 -3.279 1.00 0.00 C ATOM 38 O LYS A 4 9.153 11.815 -2.823 1.00 0.00 O ATOM 39 CB LYS A 4 6.475 10.193 -3.939 1.00 0.00 C ATOM 40 CG LYS A 4 6.777 9.560 -2.555 1.00 0.00 C ATOM 41 CD LYS A 4 7.993 8.642 -2.530 1.00 0.00 C ATOM 42 CE LYS A 4 8.272 8.183 -1.105 1.00 0.00 C ATOM 43 NZ LYS A 4 9.410 7.249 -1.015 1.00 0.00 N ATOM 0 HA LYS A 4 7.043 11.815 -5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.510 10.697 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.376 9.392 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.926 10.359 -1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.904 8.994 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.819 7.778 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.862 9.165 -2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.473 9.054 -0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.381 7.702 -0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.553 6.971 -0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.211 6.403 -1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.269 7.714 -1.372 1.00 0.00 H new ATOM 57 N HIS A 5 7.198 12.894 -2.790 1.00 0.00 N ATOM 58 CA HIS A 5 7.531 13.647 -1.595 1.00 0.00 C ATOM 59 C HIS A 5 6.655 13.197 -0.424 1.00 0.00 C ATOM 60 O HIS A 5 6.896 13.568 0.719 1.00 0.00 O ATOM 61 CB HIS A 5 7.408 15.169 -1.837 1.00 0.00 C ATOM 62 CG HIS A 5 6.048 15.622 -2.275 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.997 16.067 -1.551 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 5.627 15.605 -3.579 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 3.930 16.314 -2.407 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 4.370 16.013 -3.616 1.00 0.00 N flip ATOM 0 H HIS A 5 6.288 13.116 -3.194 1.00 0.00 H new ATOM 0 HA HIS A 5 8.572 13.445 -1.342 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.673 15.692 -0.918 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.136 15.464 -2.593 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.221 15.309 -4.431 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.948 16.676 -2.140 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.812 16.086 -4.467 1.00 0.00 H new ATOM 74 N SER A 6 5.638 12.391 -0.723 1.00 0.00 N ATOM 75 CA SER A 6 4.714 11.919 0.288 1.00 0.00 C ATOM 76 C SER A 6 3.860 10.803 -0.283 1.00 0.00 C ATOM 77 O SER A 6 3.939 10.507 -1.489 1.00 0.00 O ATOM 78 CB SER A 6 3.794 13.063 0.706 1.00 0.00 C ATOM 79 OG SER A 6 3.027 13.518 -0.405 1.00 0.00 O ATOM 0 H SER A 6 5.438 12.054 -1.665 1.00 0.00 H new ATOM 0 HA SER A 6 5.280 11.555 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.129 12.730 1.503 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.386 13.885 1.108 1.00 0.00 H new ATOM 0 HG SER A 6 2.441 14.250 -0.120 1.00 0.00 H new ATOM 85 N ILE A 7 3.028 10.208 0.563 1.00 0.00 N ATOM 86 CA ILE A 7 2.061 9.218 0.118 1.00 0.00 C ATOM 87 C ILE A 7 1.013 9.895 -0.775 1.00 0.00 C ATOM 88 O ILE A 7 0.514 9.303 -1.723 1.00 0.00 O ATOM 89 CB ILE A 7 1.327 8.510 1.318 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.285 7.497 0.793 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.671 9.523 2.271 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.566 6.858 1.864 1.00 0.00 C ATOM 0 H ILE A 7 3.005 10.397 1.565 1.00 0.00 H new ATOM 0 HA ILE A 7 2.610 8.455 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 7 2.082 7.972 1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.368 8.003 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.805 6.712 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.176 8.991 3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.435 10.183 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.064 10.114 1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.268 6.162 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.073 6.319 2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.119 7.631 2.399 1.00 0.00 H new ATOM 104 N SER A 8 0.770 11.172 -0.522 1.00 0.00 N ATOM 105 CA SER A 8 -0.262 11.889 -1.205 1.00 0.00 C ATOM 106 C SER A 8 0.227 12.354 -2.593 1.00 0.00 C ATOM 107 O SER A 8 -0.502 13.015 -3.339 1.00 0.00 O ATOM 108 CB SER A 8 -0.763 13.059 -0.321 1.00 0.00 C ATOM 109 OG SER A 8 -2.028 13.538 -0.759 1.00 0.00 O ATOM 0 H SER A 8 1.287 11.726 0.161 1.00 0.00 H new ATOM 0 HA SER A 8 -1.112 11.230 -1.382 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.837 12.728 0.715 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.037 13.872 -0.345 1.00 0.00 H new ATOM 0 HG SER A 8 -2.688 12.816 -0.705 1.00 0.00 H new ATOM 115 N ASP A 9 1.467 12.002 -2.926 1.00 0.00 N ATOM 116 CA ASP A 9 2.005 12.269 -4.253 1.00 0.00 C ATOM 117 C ASP A 9 1.880 11.014 -5.130 1.00 0.00 C ATOM 118 O ASP A 9 2.111 11.040 -6.344 1.00 0.00 O ATOM 119 CB ASP A 9 3.449 12.760 -4.168 1.00 0.00 C ATOM 120 CG ASP A 9 4.047 13.144 -5.515 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.361 13.803 -6.343 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.238 12.868 -5.740 1.00 0.00 O ATOM 0 H ASP A 9 2.115 11.532 -2.294 1.00 0.00 H new ATOM 0 HA ASP A 9 1.424 13.066 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.491 13.623 -3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.063 11.980 -3.718 1.00 0.00 H new ATOM 127 N TYR A 10 1.512 9.916 -4.510 1.00 0.00 N ATOM 128 CA TYR A 10 1.201 8.700 -5.238 1.00 0.00 C ATOM 129 C TYR A 10 -0.252 8.755 -5.590 1.00 0.00 C ATOM 130 O TYR A 10 -1.059 9.077 -4.741 1.00 0.00 O ATOM 131 CB TYR A 10 1.397 7.442 -4.366 1.00 0.00 C ATOM 132 CG TYR A 10 2.779 6.837 -4.308 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.788 7.384 -3.537 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.053 5.666 -5.007 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.032 6.778 -3.469 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.290 5.065 -4.947 1.00 0.00 C ATOM 137 CZ TYR A 10 5.276 5.624 -4.176 1.00 0.00 C ATOM 138 OH TYR A 10 6.516 5.018 -4.100 1.00 0.00 O ATOM 0 H TYR A 10 1.419 9.837 -3.497 1.00 0.00 H new ATOM 0 HA TYR A 10 1.858 8.638 -6.105 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.096 7.689 -3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.710 6.675 -4.724 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.605 8.292 -2.982 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.277 5.218 -5.611 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.811 7.212 -2.860 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.482 4.160 -5.503 1.00 0.00 H new ATOM 0 HH TYR A 10 6.521 4.213 -4.658 1.00 0.00 H new ATOM 148 N THR A 11 -0.600 8.480 -6.810 1.00 0.00 N ATOM 149 CA THR A 11 -1.998 8.348 -7.141 1.00 0.00 C ATOM 150 C THR A 11 -2.445 6.949 -6.707 1.00 0.00 C ATOM 151 O THR A 11 -1.589 6.121 -6.312 1.00 0.00 O ATOM 152 CB THR A 11 -2.249 8.531 -8.655 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.414 7.646 -9.395 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.986 9.960 -9.091 1.00 0.00 C ATOM 0 H THR A 11 0.048 8.343 -7.586 1.00 0.00 H new ATOM 0 HA THR A 11 -2.565 9.124 -6.626 1.00 0.00 H new ATOM 0 HB THR A 11 -3.296 8.301 -8.851 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.547 8.073 -9.556 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.172 10.054 -10.161 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.648 10.634 -8.547 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.949 10.220 -8.879 1.00 0.00 H new ATOM 162 N GLU A 12 -3.736 6.655 -6.789 1.00 0.00 N ATOM 163 CA GLU A 12 -4.227 5.336 -6.405 1.00 0.00 C ATOM 164 C GLU A 12 -3.575 4.281 -7.287 1.00 0.00 C ATOM 165 O GLU A 12 -3.149 3.242 -6.811 1.00 0.00 O ATOM 166 CB GLU A 12 -5.744 5.230 -6.544 1.00 0.00 C ATOM 167 CG GLU A 12 -6.285 3.875 -6.105 1.00 0.00 C ATOM 168 CD GLU A 12 -7.723 3.671 -6.452 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.600 4.089 -5.677 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.017 3.057 -7.503 1.00 0.00 O ATOM 0 H GLU A 12 -4.455 7.302 -7.113 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.971 5.177 -5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.214 6.013 -5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.022 5.408 -7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.691 3.087 -6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.161 3.774 -5.027 1.00 0.00 H new ATOM 177 N ALA A 13 -3.447 4.611 -8.558 1.00 0.00 N ATOM 178 CA ALA A 13 -2.874 3.716 -9.557 1.00 0.00 C ATOM 179 C ALA A 13 -1.425 3.364 -9.226 1.00 0.00 C ATOM 180 O ALA A 13 -1.022 2.207 -9.299 1.00 0.00 O ATOM 181 CB ALA A 13 -2.959 4.351 -10.934 1.00 0.00 C ATOM 0 H ALA A 13 -3.739 5.513 -8.934 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.451 2.791 -9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.529 3.675 -11.673 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.003 4.543 -11.182 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.407 5.291 -10.936 1.00 0.00 H new ATOM 187 N GLU A 14 -0.664 4.358 -8.830 1.00 0.00 N ATOM 188 CA GLU A 14 0.744 4.173 -8.495 1.00 0.00 C ATOM 189 C GLU A 14 0.896 3.420 -7.197 1.00 0.00 C ATOM 190 O GLU A 14 1.818 2.628 -7.036 1.00 0.00 O ATOM 191 CB GLU A 14 1.425 5.507 -8.385 1.00 0.00 C ATOM 192 CG GLU A 14 1.402 6.296 -9.659 1.00 0.00 C ATOM 193 CD GLU A 14 1.868 7.683 -9.440 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.054 8.525 -9.030 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.048 7.971 -9.651 1.00 0.00 O ATOM 0 H GLU A 14 -0.995 5.318 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 14 1.208 3.590 -9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.944 6.088 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.460 5.354 -8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.035 5.810 -10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.390 6.310 -10.063 1.00 0.00 H new ATOM 202 N PHE A 15 -0.005 3.658 -6.277 1.00 0.00 N ATOM 203 CA PHE A 15 0.043 2.972 -5.018 1.00 0.00 C ATOM 204 C PHE A 15 -0.407 1.546 -5.221 1.00 0.00 C ATOM 205 O PHE A 15 0.081 0.660 -4.608 1.00 0.00 O ATOM 206 CB PHE A 15 -0.783 3.687 -3.971 1.00 0.00 C ATOM 207 CG PHE A 15 -0.511 3.199 -2.592 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.529 3.740 -1.860 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.283 2.207 -2.026 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.794 3.298 -0.588 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.024 1.767 -0.758 1.00 0.00 C ATOM 212 CZ PHE A 15 0.016 2.308 -0.037 1.00 0.00 C ATOM 0 H PHE A 15 -0.775 4.319 -6.379 1.00 0.00 H new ATOM 0 HA PHE A 15 1.067 2.965 -4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.578 4.756 -4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.841 3.555 -4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.139 4.518 -2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.098 1.775 -2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.609 3.726 -0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.637 0.993 -0.321 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.221 1.954 0.963 1.00 0.00 H new ATOM 222 N LEU A 16 -1.316 1.351 -6.104 1.00 0.00 N ATOM 223 CA LEU A 16 -1.721 0.024 -6.510 1.00 0.00 C ATOM 224 C LEU A 16 -0.540 -0.714 -7.084 1.00 0.00 C ATOM 225 O LEU A 16 -0.323 -1.898 -6.799 1.00 0.00 O ATOM 226 CB LEU A 16 -2.910 0.167 -7.485 1.00 0.00 C ATOM 227 CG LEU A 16 -3.278 -0.977 -8.429 1.00 0.00 C ATOM 228 CD1 LEU A 16 -2.446 -0.986 -9.654 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.275 -2.318 -7.750 1.00 0.00 C ATOM 0 H LEU A 16 -1.814 2.104 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.060 -0.577 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.793 0.387 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.717 1.044 -8.102 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.306 -0.786 -8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.746 -1.817 -10.292 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.581 -0.048 -10.193 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.397 -1.099 -9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.544 -3.091 -8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.281 -2.522 -7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.998 -2.315 -6.935 1.00 0.00 H new ATOM 241 N GLU A 17 0.217 -0.037 -7.857 1.00 0.00 N ATOM 242 CA GLU A 17 1.389 -0.626 -8.382 1.00 0.00 C ATOM 243 C GLU A 17 2.413 -1.019 -7.258 1.00 0.00 C ATOM 244 O GLU A 17 3.265 -1.879 -7.495 1.00 0.00 O ATOM 245 CB GLU A 17 2.038 0.234 -9.459 1.00 0.00 C ATOM 246 CG GLU A 17 1.247 0.301 -10.762 1.00 0.00 C ATOM 247 CD GLU A 17 1.082 -1.058 -11.416 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.117 -1.708 -11.706 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.072 -1.503 -11.638 1.00 0.00 O ATOM 0 H GLU A 17 0.048 0.928 -8.142 1.00 0.00 H new ATOM 0 HA GLU A 17 1.074 -1.552 -8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.168 1.245 -9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.033 -0.157 -9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.263 0.726 -10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.752 0.974 -11.455 1.00 0.00 H new ATOM 256 N PHE A 18 2.297 -0.394 -6.032 1.00 0.00 N ATOM 257 CA PHE A 18 3.180 -0.717 -4.863 1.00 0.00 C ATOM 258 C PHE A 18 3.044 -2.166 -4.545 1.00 0.00 C ATOM 259 O PHE A 18 4.015 -2.910 -4.504 1.00 0.00 O ATOM 260 CB PHE A 18 2.846 0.158 -3.539 1.00 0.00 C ATOM 261 CG PHE A 18 2.115 -0.551 -2.301 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.724 -0.677 -2.231 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.837 -1.066 -1.229 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.096 -1.289 -1.147 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.202 -1.669 -0.152 1.00 0.00 C ATOM 266 CZ PHE A 18 0.838 -1.778 -0.117 1.00 0.00 C ATOM 0 H PHE A 18 1.605 0.329 -5.836 1.00 0.00 H new ATOM 0 HA PHE A 18 4.201 -0.466 -5.152 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.786 0.572 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.226 0.999 -3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.120 -0.290 -3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.915 -0.995 -1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.980 -1.375 -1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.790 -2.056 0.667 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.353 -2.250 0.725 1.00 0.00 H new ATOM 276 N VAL A 19 1.824 -2.561 -4.393 1.00 0.00 N ATOM 277 CA VAL A 19 1.504 -3.869 -3.927 1.00 0.00 C ATOM 278 C VAL A 19 1.773 -4.918 -4.984 1.00 0.00 C ATOM 279 O VAL A 19 2.243 -6.015 -4.677 1.00 0.00 O ATOM 280 CB VAL A 19 0.059 -3.928 -3.365 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.979 -3.631 -4.409 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.208 -5.214 -2.628 1.00 0.00 C ATOM 0 H VAL A 19 1.011 -1.978 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 19 2.168 -4.103 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.022 -3.128 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.971 -3.686 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.816 -2.630 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.904 -4.361 -5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.231 -5.212 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.072 -6.057 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.486 -5.305 -1.792 1.00 0.00 H new ATOM 292 N LYS A 20 1.518 -4.565 -6.228 1.00 0.00 N ATOM 293 CA LYS A 20 1.814 -5.458 -7.321 1.00 0.00 C ATOM 294 C LYS A 20 3.308 -5.705 -7.386 1.00 0.00 C ATOM 295 O LYS A 20 3.758 -6.819 -7.570 1.00 0.00 O ATOM 296 CB LYS A 20 1.396 -4.871 -8.629 1.00 0.00 C ATOM 297 CG LYS A 20 -0.074 -4.754 -8.802 1.00 0.00 C ATOM 298 CD LYS A 20 -0.342 -4.294 -10.174 1.00 0.00 C ATOM 299 CE LYS A 20 -1.791 -4.222 -10.498 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.000 -3.694 -11.861 1.00 0.00 N ATOM 0 H LYS A 20 1.109 -3.672 -6.502 1.00 0.00 H new ATOM 0 HA LYS A 20 1.268 -6.385 -7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.842 -3.882 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.798 -5.485 -9.435 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.555 -5.715 -8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.487 -4.051 -8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.104 -3.309 -10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.147 -4.967 -10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.236 -5.214 -10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.298 -3.584 -9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.991 -3.398 -11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.376 -2.877 -12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.781 -4.435 -12.558 1.00 0.00 H new ATOM 314 N LYS A 21 4.061 -4.630 -7.189 1.00 0.00 N ATOM 315 CA LYS A 21 5.513 -4.647 -7.219 1.00 0.00 C ATOM 316 C LYS A 21 6.037 -5.581 -6.144 1.00 0.00 C ATOM 317 O LYS A 21 6.929 -6.351 -6.384 1.00 0.00 O ATOM 318 CB LYS A 21 6.041 -3.220 -6.992 1.00 0.00 C ATOM 319 CG LYS A 21 7.537 -3.031 -7.109 1.00 0.00 C ATOM 320 CD LYS A 21 7.895 -1.585 -6.809 1.00 0.00 C ATOM 321 CE LYS A 21 9.340 -1.281 -7.135 1.00 0.00 C ATOM 322 NZ LYS A 21 10.301 -2.091 -6.343 1.00 0.00 N ATOM 0 H LYS A 21 3.670 -3.707 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 21 5.857 -5.005 -8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.556 -2.558 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.732 -2.895 -5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.053 -3.695 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.870 -3.298 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.247 -0.924 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.709 -1.376 -5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.512 -1.460 -8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.532 -0.223 -6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.272 -1.790 -6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.117 -1.955 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.188 -3.097 -6.583 1.00 0.00 H new ATOM 336 N ILE A 22 5.445 -5.526 -4.978 1.00 0.00 N ATOM 337 CA ILE A 22 5.854 -6.384 -3.876 1.00 0.00 C ATOM 338 C ILE A 22 5.516 -7.842 -4.201 1.00 0.00 C ATOM 339 O ILE A 22 6.302 -8.752 -3.958 1.00 0.00 O ATOM 340 CB ILE A 22 5.164 -5.961 -2.555 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.414 -4.472 -2.307 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.705 -6.784 -1.390 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.754 -3.919 -1.087 1.00 0.00 C ATOM 0 H ILE A 22 4.674 -4.896 -4.759 1.00 0.00 H new ATOM 0 HA ILE A 22 6.931 -6.282 -3.743 1.00 0.00 H new ATOM 0 HB ILE A 22 4.092 -6.140 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.489 -4.307 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.069 -3.911 -3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.212 -6.477 -0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.511 -7.841 -1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.779 -6.623 -1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.989 -2.859 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.674 -4.046 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.116 -4.448 -0.206 1.00 0.00 H new ATOM 355 N CYS A 23 4.371 -8.034 -4.808 1.00 0.00 N ATOM 356 CA CYS A 23 3.896 -9.347 -5.174 1.00 0.00 C ATOM 357 C CYS A 23 4.770 -9.971 -6.290 1.00 0.00 C ATOM 358 O CYS A 23 5.024 -11.175 -6.287 1.00 0.00 O ATOM 359 CB CYS A 23 2.419 -9.250 -5.617 1.00 0.00 C ATOM 360 SG CYS A 23 1.604 -10.826 -5.984 1.00 0.00 S ATOM 0 H CYS A 23 3.737 -7.278 -5.064 1.00 0.00 H new ATOM 0 HA CYS A 23 3.968 -10.003 -4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.856 -8.745 -4.832 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.366 -8.619 -6.504 1.00 0.00 H new ATOM 0 HG CYS A 23 0.373 -10.605 -6.340 1.00 0.00 H new ATOM 366 N ARG A 24 5.228 -9.153 -7.231 1.00 0.00 N ATOM 367 CA ARG A 24 5.983 -9.665 -8.370 1.00 0.00 C ATOM 368 C ARG A 24 7.508 -9.523 -8.258 1.00 0.00 C ATOM 369 O ARG A 24 8.255 -10.392 -8.696 1.00 0.00 O ATOM 370 CB ARG A 24 5.524 -9.010 -9.655 1.00 0.00 C ATOM 371 CG ARG A 24 5.875 -7.560 -9.791 1.00 0.00 C ATOM 372 CD ARG A 24 5.488 -7.070 -11.135 1.00 0.00 C ATOM 373 NE ARG A 24 6.198 -7.786 -12.211 1.00 0.00 N ATOM 374 CZ ARG A 24 6.055 -7.529 -13.515 1.00 0.00 C ATOM 375 NH1 ARG A 24 5.395 -6.449 -13.907 1.00 0.00 N ATOM 376 NH2 ARG A 24 6.634 -8.318 -14.409 1.00 0.00 N ATOM 0 H ARG A 24 5.092 -8.142 -7.229 1.00 0.00 H new ATOM 0 HA ARG A 24 5.773 -10.734 -8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.956 -9.553 -10.496 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.442 -9.114 -9.731 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.365 -6.980 -9.022 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.945 -7.420 -9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.413 -7.190 -11.268 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.702 -6.004 -11.207 1.00 0.00 H new ATOM 0 HE ARG A 24 6.843 -8.529 -11.942 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.997 -5.815 -13.214 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.285 -6.252 -14.902 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.186 -9.118 -14.101 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.527 -8.125 -15.405 1.00 0.00 H new ATOM 390 N ALA A 25 7.959 -8.445 -7.684 1.00 0.00 N ATOM 391 CA ALA A 25 9.364 -8.082 -7.710 1.00 0.00 C ATOM 392 C ALA A 25 10.022 -8.270 -6.360 1.00 0.00 C ATOM 393 O ALA A 25 11.051 -7.661 -6.091 1.00 0.00 O ATOM 394 CB ALA A 25 9.522 -6.642 -8.192 1.00 0.00 C ATOM 0 H ALA A 25 7.368 -7.784 -7.180 1.00 0.00 H new ATOM 0 HA ALA A 25 9.869 -8.750 -8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.579 -6.378 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.109 -6.547 -9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.991 -5.972 -7.516 1.00 0.00 H new ATOM 400 N GLU A 26 9.416 -9.121 -5.527 1.00 0.00 N ATOM 401 CA GLU A 26 9.871 -9.421 -4.145 1.00 0.00 C ATOM 402 C GLU A 26 11.392 -9.628 -3.961 1.00 0.00 C ATOM 403 O GLU A 26 11.910 -9.419 -2.871 1.00 0.00 O ATOM 404 CB GLU A 26 9.056 -10.565 -3.512 1.00 0.00 C ATOM 405 CG GLU A 26 8.755 -11.770 -4.411 1.00 0.00 C ATOM 406 CD GLU A 26 9.976 -12.454 -4.961 1.00 0.00 C ATOM 407 OE1 GLU A 26 10.617 -13.237 -4.240 1.00 0.00 O ATOM 408 OE2 GLU A 26 10.299 -12.228 -6.142 1.00 0.00 O ATOM 0 H GLU A 26 8.576 -9.637 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 26 9.668 -8.500 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.594 -10.921 -2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.108 -10.156 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.172 -12.495 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.132 -11.441 -5.243 1.00 0.00 H new ATOM 415 N GLY A 27 12.075 -10.058 -4.990 1.00 0.00 N ATOM 416 CA GLY A 27 13.501 -10.133 -4.930 1.00 0.00 C ATOM 417 C GLY A 27 14.001 -11.532 -4.921 1.00 0.00 C ATOM 418 O GLY A 27 14.021 -12.196 -5.959 1.00 0.00 O ATOM 0 H GLY A 27 11.664 -10.359 -5.874 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.925 -9.605 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.850 -9.621 -4.034 1.00 0.00 H new ATOM 422 N ALA A 28 14.398 -11.990 -3.767 1.00 0.00 N ATOM 423 CA ALA A 28 14.943 -13.314 -3.628 1.00 0.00 C ATOM 424 C ALA A 28 14.573 -13.879 -2.277 1.00 0.00 C ATOM 425 O ALA A 28 14.061 -14.992 -2.171 1.00 0.00 O ATOM 426 CB ALA A 28 16.456 -13.292 -3.820 1.00 0.00 C ATOM 0 H ALA A 28 14.354 -11.459 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 28 14.520 -13.958 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.851 -14.302 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.691 -12.915 -4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.908 -12.643 -3.070 1.00 0.00 H new ATOM 432 N THR A 29 14.859 -13.130 -1.249 1.00 0.00 N ATOM 433 CA THR A 29 14.479 -13.483 0.086 1.00 0.00 C ATOM 434 C THR A 29 13.330 -12.562 0.467 1.00 0.00 C ATOM 435 O THR A 29 13.222 -11.454 -0.074 1.00 0.00 O ATOM 436 CB THR A 29 15.651 -13.226 1.043 1.00 0.00 C ATOM 437 OG1 THR A 29 16.871 -13.702 0.467 1.00 0.00 O ATOM 438 CG2 THR A 29 15.445 -13.911 2.391 1.00 0.00 C ATOM 0 H THR A 29 15.368 -12.249 -1.317 1.00 0.00 H new ATOM 0 HA THR A 29 14.197 -14.534 0.146 1.00 0.00 H new ATOM 0 HB THR A 29 15.703 -12.149 1.205 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.613 -13.532 1.085 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.297 -13.704 3.038 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.535 -13.532 2.856 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.356 -14.987 2.242 1.00 0.00 H new ATOM 446 N GLU A 30 12.526 -12.971 1.419 1.00 0.00 N ATOM 447 CA GLU A 30 11.356 -12.205 1.819 1.00 0.00 C ATOM 448 C GLU A 30 11.760 -10.916 2.577 1.00 0.00 C ATOM 449 O GLU A 30 10.941 -10.046 2.834 1.00 0.00 O ATOM 450 CB GLU A 30 10.415 -13.092 2.630 1.00 0.00 C ATOM 451 CG GLU A 30 9.056 -12.486 2.938 1.00 0.00 C ATOM 452 CD GLU A 30 8.181 -13.431 3.703 1.00 0.00 C ATOM 453 OE1 GLU A 30 7.526 -14.296 3.077 1.00 0.00 O ATOM 454 OE2 GLU A 30 8.164 -13.363 4.955 1.00 0.00 O ATOM 0 H GLU A 30 12.658 -13.838 1.939 1.00 0.00 H new ATOM 0 HA GLU A 30 10.820 -11.876 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.264 -14.025 2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.903 -13.346 3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.189 -11.570 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.563 -12.209 2.006 1.00 0.00 H new ATOM 461 N GLU A 31 13.042 -10.794 2.898 1.00 0.00 N ATOM 462 CA GLU A 31 13.565 -9.566 3.490 1.00 0.00 C ATOM 463 C GLU A 31 13.505 -8.434 2.467 1.00 0.00 C ATOM 464 O GLU A 31 13.273 -7.278 2.819 1.00 0.00 O ATOM 465 CB GLU A 31 15.012 -9.745 3.972 1.00 0.00 C ATOM 466 CG GLU A 31 15.937 -10.304 2.908 1.00 0.00 C ATOM 467 CD GLU A 31 17.393 -10.149 3.217 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.960 -10.991 3.935 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.012 -9.193 2.718 1.00 0.00 O ATOM 0 H GLU A 31 13.738 -11.527 2.760 1.00 0.00 H new ATOM 0 HA GLU A 31 12.947 -9.321 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.397 -8.782 4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.020 -10.410 4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.717 -11.363 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.724 -9.809 1.961 1.00 0.00 H new ATOM 476 N ASP A 32 13.674 -8.790 1.192 1.00 0.00 N ATOM 477 CA ASP A 32 13.678 -7.815 0.112 1.00 0.00 C ATOM 478 C ASP A 32 12.248 -7.378 -0.134 1.00 0.00 C ATOM 479 O ASP A 32 11.964 -6.203 -0.383 1.00 0.00 O ATOM 480 CB ASP A 32 14.301 -8.416 -1.154 1.00 0.00 C ATOM 481 CG ASP A 32 14.677 -7.370 -2.182 1.00 0.00 C ATOM 482 OD1 ASP A 32 13.855 -6.982 -3.003 1.00 0.00 O ATOM 483 OD2 ASP A 32 15.831 -6.898 -2.174 1.00 0.00 O ATOM 0 H ASP A 32 13.810 -9.754 0.886 1.00 0.00 H new ATOM 0 HA ASP A 32 14.282 -6.950 0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.190 -8.984 -0.880 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.598 -9.119 -1.600 1.00 0.00 H new ATOM 488 N ASP A 33 11.365 -8.346 -0.005 1.00 0.00 N ATOM 489 CA ASP A 33 9.910 -8.170 -0.080 1.00 0.00 C ATOM 490 C ASP A 33 9.489 -7.185 1.001 1.00 0.00 C ATOM 491 O ASP A 33 8.966 -6.093 0.718 1.00 0.00 O ATOM 492 CB ASP A 33 9.262 -9.543 0.203 1.00 0.00 C ATOM 493 CG ASP A 33 7.749 -9.616 0.070 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.014 -9.016 0.872 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.285 -10.356 -0.804 1.00 0.00 O ATOM 0 H ASP A 33 11.639 -9.314 0.161 1.00 0.00 H new ATOM 0 HA ASP A 33 9.605 -7.796 -1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.700 -10.274 -0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.531 -9.846 1.215 1.00 0.00 H new ATOM 500 N ASN A 34 9.825 -7.544 2.228 1.00 0.00 N ATOM 501 CA ASN A 34 9.478 -6.789 3.403 1.00 0.00 C ATOM 502 C ASN A 34 10.069 -5.375 3.394 1.00 0.00 C ATOM 503 O ASN A 34 9.433 -4.441 3.865 1.00 0.00 O ATOM 504 CB ASN A 34 9.918 -7.543 4.653 1.00 0.00 C ATOM 505 CG ASN A 34 9.497 -6.863 5.936 1.00 0.00 C ATOM 506 OD1 ASN A 34 8.469 -6.203 6.003 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.286 -7.010 6.952 1.00 0.00 N ATOM 0 H ASN A 34 10.359 -8.389 2.432 1.00 0.00 H new ATOM 0 HA ASN A 34 8.394 -6.675 3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.500 -8.550 4.629 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.003 -7.648 4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.058 -6.569 7.843 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.136 -7.567 6.862 1.00 0.00 H new ATOM 514 N LYS A 35 11.269 -5.183 2.843 1.00 0.00 N ATOM 515 CA LYS A 35 11.816 -3.842 2.834 1.00 0.00 C ATOM 516 C LYS A 35 11.075 -2.899 1.913 1.00 0.00 C ATOM 517 O LYS A 35 11.159 -1.675 2.089 1.00 0.00 O ATOM 518 CB LYS A 35 13.347 -3.745 2.707 1.00 0.00 C ATOM 519 CG LYS A 35 13.984 -4.415 1.519 1.00 0.00 C ATOM 520 CD LYS A 35 15.496 -4.215 1.572 1.00 0.00 C ATOM 521 CE LYS A 35 16.226 -4.994 0.495 1.00 0.00 C ATOM 522 NZ LYS A 35 15.837 -4.589 -0.864 1.00 0.00 N ATOM 0 H LYS A 35 11.851 -5.905 2.418 1.00 0.00 H new ATOM 0 HA LYS A 35 11.628 -3.488 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.618 -2.689 2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.788 -4.168 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.747 -5.479 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.583 -3.998 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.722 -3.154 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.865 -4.522 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.300 -4.855 0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.026 -6.058 0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.175 -5.296 -1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.801 -4.519 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.259 -3.665 -1.085 1.00 0.00 H new ATOM 536 N LEU A 36 10.338 -3.438 0.935 1.00 0.00 N ATOM 537 CA LEU A 36 9.442 -2.588 0.167 1.00 0.00 C ATOM 538 C LEU A 36 8.293 -2.240 1.050 1.00 0.00 C ATOM 539 O LEU A 36 7.966 -1.083 1.228 1.00 0.00 O ATOM 540 CB LEU A 36 8.869 -3.257 -1.084 1.00 0.00 C ATOM 541 CG LEU A 36 9.811 -3.585 -2.215 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.006 -4.179 -3.355 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.549 -2.337 -2.678 1.00 0.00 C ATOM 0 H LEU A 36 10.346 -4.423 0.668 1.00 0.00 H new ATOM 0 HA LEU A 36 10.021 -1.726 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.387 -4.184 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.088 -2.608 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 36 10.557 -4.303 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.672 -4.422 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.505 -5.085 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.261 -3.457 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.224 -2.595 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.829 -1.595 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.124 -1.926 -1.848 1.00 0.00 H new ATOM 555 N VAL A 37 7.722 -3.271 1.640 1.00 0.00 N ATOM 556 CA VAL A 37 6.574 -3.145 2.512 1.00 0.00 C ATOM 557 C VAL A 37 6.817 -2.079 3.577 1.00 0.00 C ATOM 558 O VAL A 37 6.013 -1.190 3.743 1.00 0.00 O ATOM 559 CB VAL A 37 6.236 -4.478 3.210 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.982 -4.325 4.014 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.085 -5.613 2.211 1.00 0.00 C ATOM 0 H VAL A 37 8.047 -4.231 1.525 1.00 0.00 H new ATOM 0 HA VAL A 37 5.732 -2.855 1.883 1.00 0.00 H new ATOM 0 HB VAL A 37 7.064 -4.731 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.747 -5.269 4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.125 -3.550 4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.160 -4.044 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.847 -6.535 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.282 -5.378 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.018 -5.741 1.662 1.00 0.00 H new ATOM 571 N ARG A 38 7.965 -2.148 4.226 1.00 0.00 N ATOM 572 CA ARG A 38 8.323 -1.213 5.283 1.00 0.00 C ATOM 573 C ARG A 38 8.355 0.261 4.838 1.00 0.00 C ATOM 574 O ARG A 38 7.984 1.144 5.618 1.00 0.00 O ATOM 575 CB ARG A 38 9.628 -1.611 5.967 1.00 0.00 C ATOM 576 CG ARG A 38 9.533 -2.924 6.732 1.00 0.00 C ATOM 577 CD ARG A 38 10.796 -3.213 7.520 1.00 0.00 C ATOM 578 NE ARG A 38 11.965 -3.507 6.669 1.00 0.00 N ATOM 579 CZ ARG A 38 13.078 -2.748 6.595 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.097 -1.524 7.139 1.00 0.00 N ATOM 581 NH2 ARG A 38 14.154 -3.209 5.952 1.00 0.00 N ATOM 0 H ARG A 38 8.677 -2.853 4.037 1.00 0.00 H new ATOM 0 HA ARG A 38 7.514 -1.282 6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.413 -1.693 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.926 -0.819 6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.682 -2.887 7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.347 -3.739 6.032 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.024 -2.356 8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.616 -4.060 8.182 1.00 0.00 H new ATOM 0 HE ARG A 38 11.929 -4.348 6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.268 -1.163 7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.940 -0.953 7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.133 -4.132 5.519 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.997 -2.638 5.894 1.00 0.00 H new ATOM 595 N GLU A 39 8.756 0.542 3.588 1.00 0.00 N ATOM 596 CA GLU A 39 8.775 1.938 3.138 1.00 0.00 C ATOM 597 C GLU A 39 7.348 2.396 2.879 1.00 0.00 C ATOM 598 O GLU A 39 6.968 3.526 3.198 1.00 0.00 O ATOM 599 CB GLU A 39 9.693 2.191 1.896 1.00 0.00 C ATOM 600 CG GLU A 39 9.256 1.534 0.591 1.00 0.00 C ATOM 601 CD GLU A 39 10.200 1.806 -0.562 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.376 1.386 -0.503 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.796 2.446 -1.552 1.00 0.00 O ATOM 0 H GLU A 39 9.059 -0.147 2.899 1.00 0.00 H new ATOM 0 HA GLU A 39 9.218 2.532 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.760 3.267 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.698 1.842 2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.179 0.457 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.260 1.891 0.328 1.00 0.00 H new ATOM 610 N PHE A 40 6.539 1.484 2.384 1.00 0.00 N ATOM 611 CA PHE A 40 5.164 1.776 2.088 1.00 0.00 C ATOM 612 C PHE A 40 4.319 1.848 3.365 1.00 0.00 C ATOM 613 O PHE A 40 3.411 2.682 3.461 1.00 0.00 O ATOM 614 CB PHE A 40 4.603 0.795 1.071 1.00 0.00 C ATOM 615 CG PHE A 40 5.255 0.891 -0.302 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.058 2.006 -1.108 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.028 -0.146 -0.795 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.623 2.076 -2.372 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.599 -0.081 -2.052 1.00 0.00 C ATOM 620 CZ PHE A 40 6.396 1.026 -2.843 1.00 0.00 C ATOM 0 H PHE A 40 6.820 0.525 2.178 1.00 0.00 H new ATOM 0 HA PHE A 40 5.118 2.765 1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.727 -0.219 1.452 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.532 0.967 0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.458 2.827 -0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.188 -1.023 -0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.461 2.947 -2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.204 -0.899 -2.413 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.837 1.077 -3.827 1.00 0.00 H new ATOM 630 N GLU A 41 4.628 0.986 4.352 1.00 0.00 N ATOM 631 CA GLU A 41 4.024 1.038 5.683 1.00 0.00 C ATOM 632 C GLU A 41 4.295 2.367 6.342 1.00 0.00 C ATOM 633 O GLU A 41 3.504 2.833 7.115 1.00 0.00 O ATOM 634 CB GLU A 41 4.569 -0.053 6.595 1.00 0.00 C ATOM 635 CG GLU A 41 3.999 -1.437 6.383 1.00 0.00 C ATOM 636 CD GLU A 41 4.626 -2.435 7.319 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.820 -2.734 7.175 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.928 -2.923 8.255 1.00 0.00 O ATOM 0 H GLU A 41 5.307 0.233 4.241 1.00 0.00 H new ATOM 0 HA GLU A 41 2.953 0.892 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.650 -0.102 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.386 0.240 7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.920 -1.416 6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.166 -1.748 5.352 1.00 0.00 H new ATOM 645 N ARG A 42 5.434 2.958 6.038 1.00 0.00 N ATOM 646 CA ARG A 42 5.804 4.256 6.584 1.00 0.00 C ATOM 647 C ARG A 42 5.023 5.342 5.909 1.00 0.00 C ATOM 648 O ARG A 42 4.499 6.232 6.563 1.00 0.00 O ATOM 649 CB ARG A 42 7.306 4.470 6.418 1.00 0.00 C ATOM 650 CG ARG A 42 7.861 5.803 6.923 1.00 0.00 C ATOM 651 CD ARG A 42 7.318 6.188 8.293 1.00 0.00 C ATOM 652 NE ARG A 42 7.450 5.137 9.306 1.00 0.00 N ATOM 653 CZ ARG A 42 6.600 4.989 10.342 1.00 0.00 C ATOM 654 NH1 ARG A 42 5.564 5.825 10.480 1.00 0.00 N ATOM 655 NH2 ARG A 42 6.789 4.023 11.226 1.00 0.00 N ATOM 0 H ARG A 42 6.129 2.557 5.408 1.00 0.00 H new ATOM 0 HA ARG A 42 5.566 4.286 7.647 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.826 3.665 6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.550 4.377 5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.948 5.743 6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.617 6.588 6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.839 7.080 8.641 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.265 6.452 8.194 1.00 0.00 H new ATOM 0 HE ARG A 42 8.227 4.482 9.223 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.418 6.573 9.802 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.920 5.714 11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.580 3.387 11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.144 3.914 12.008 1.00 0.00 H new ATOM 669 N LEU A 43 4.945 5.254 4.615 1.00 0.00 N ATOM 670 CA LEU A 43 4.168 6.203 3.824 1.00 0.00 C ATOM 671 C LEU A 43 2.708 6.222 4.273 1.00 0.00 C ATOM 672 O LEU A 43 2.107 7.278 4.415 1.00 0.00 O ATOM 673 CB LEU A 43 4.279 5.874 2.333 1.00 0.00 C ATOM 674 CG LEU A 43 5.679 6.012 1.736 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.703 5.545 0.294 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.160 7.453 1.847 1.00 0.00 C ATOM 0 H LEU A 43 5.410 4.531 4.066 1.00 0.00 H new ATOM 0 HA LEU A 43 4.578 7.200 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.935 4.852 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.601 6.526 1.782 1.00 0.00 H new ATOM 0 HG LEU A 43 6.358 5.375 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.711 5.654 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.404 4.498 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.011 6.147 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.158 7.537 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.476 8.107 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.190 7.747 2.896 1.00 0.00 H new ATOM 688 N THR A 44 2.181 5.063 4.553 1.00 0.00 N ATOM 689 CA THR A 44 0.814 4.934 4.981 1.00 0.00 C ATOM 690 C THR A 44 0.650 5.033 6.476 1.00 0.00 C ATOM 691 O THR A 44 -0.483 5.232 6.960 1.00 0.00 O ATOM 692 CB THR A 44 0.237 3.617 4.517 1.00 0.00 C ATOM 693 OG1 THR A 44 1.135 2.547 4.831 1.00 0.00 O ATOM 694 CG2 THR A 44 -0.025 3.650 3.059 1.00 0.00 C ATOM 0 H THR A 44 2.687 4.179 4.491 1.00 0.00 H new ATOM 0 HA THR A 44 0.278 5.769 4.530 1.00 0.00 H new ATOM 0 HB THR A 44 -0.707 3.451 5.036 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.779 2.435 4.101 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.440 2.693 2.742 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.735 4.446 2.835 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.908 3.835 2.526 1.00 0.00 H new ATOM 702 N GLU A 45 1.767 4.860 7.212 1.00 0.00 N ATOM 703 CA GLU A 45 1.780 4.825 8.686 1.00 0.00 C ATOM 704 C GLU A 45 0.811 3.721 9.124 1.00 0.00 C ATOM 705 O GLU A 45 0.250 3.729 10.238 1.00 0.00 O ATOM 706 CB GLU A 45 1.349 6.188 9.210 1.00 0.00 C ATOM 707 CG GLU A 45 2.233 7.327 8.736 1.00 0.00 C ATOM 708 CD GLU A 45 1.599 8.667 8.945 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.644 9.005 8.206 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.032 9.424 9.832 1.00 0.00 O ATOM 0 H GLU A 45 2.691 4.740 6.796 1.00 0.00 H new ATOM 0 HA GLU A 45 2.772 4.612 9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.323 6.381 8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.351 6.167 10.300 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.184 7.291 9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.455 7.194 7.677 1.00 0.00 H new ATOM 717 N HIS A 46 0.700 2.724 8.252 1.00 0.00 N ATOM 718 CA HIS A 46 -0.315 1.735 8.346 1.00 0.00 C ATOM 719 C HIS A 46 0.154 0.534 9.172 1.00 0.00 C ATOM 720 O HIS A 46 1.168 -0.089 8.869 1.00 0.00 O ATOM 721 CB HIS A 46 -0.799 1.310 6.930 1.00 0.00 C ATOM 722 CG HIS A 46 -2.090 0.562 6.928 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.309 -0.559 7.665 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.283 0.896 6.399 1.00 0.00 C ATOM 725 CE1 HIS A 46 -3.593 -0.854 7.609 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.237 -0.010 6.838 1.00 0.00 N ATOM 0 H HIS A 46 1.329 2.597 7.459 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.167 2.168 8.870 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.907 2.201 6.312 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.032 0.691 6.466 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.467 1.732 5.741 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.054 -1.681 8.129 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.231 -0.018 6.609 1.00 0.00 H new ATOM 734 N PRO A 47 -0.638 0.184 10.192 1.00 0.00 N ATOM 735 CA PRO A 47 -0.352 -0.892 11.143 1.00 0.00 C ATOM 736 C PRO A 47 -0.222 -2.239 10.483 1.00 0.00 C ATOM 737 O PRO A 47 0.794 -2.923 10.582 1.00 0.00 O ATOM 738 CB PRO A 47 -1.600 -0.915 12.028 1.00 0.00 C ATOM 739 CG PRO A 47 -2.612 -0.088 11.363 1.00 0.00 C ATOM 740 CD PRO A 47 -1.891 0.846 10.498 1.00 0.00 C ATOM 0 HA PRO A 47 0.590 -0.714 11.662 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.961 -1.935 12.159 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.376 -0.526 13.021 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.295 -0.706 10.780 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.215 0.449 12.095 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.456 1.060 9.591 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.722 1.798 11.000 1.00 0.00 H new ATOM 748 N ASP A 48 -1.251 -2.575 9.759 1.00 0.00 N ATOM 749 CA ASP A 48 -1.374 -3.834 9.118 1.00 0.00 C ATOM 750 C ASP A 48 -0.837 -3.721 7.720 1.00 0.00 C ATOM 751 O ASP A 48 -1.126 -4.545 6.899 1.00 0.00 O ATOM 752 CB ASP A 48 -2.857 -4.272 9.030 1.00 0.00 C ATOM 753 CG ASP A 48 -3.561 -4.427 10.355 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.354 -5.438 11.045 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.367 -3.544 10.721 1.00 0.00 O ATOM 0 H ASP A 48 -2.046 -1.956 9.600 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.818 -4.571 9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.400 -3.541 8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.908 -5.221 8.497 1.00 0.00 H new ATOM 760 N GLY A 49 -0.017 -2.687 7.467 1.00 0.00 N ATOM 761 CA GLY A 49 0.514 -2.433 6.092 1.00 0.00 C ATOM 762 C GLY A 49 1.249 -3.588 5.534 1.00 0.00 C ATOM 763 O GLY A 49 1.305 -3.776 4.329 1.00 0.00 O ATOM 0 H GLY A 49 0.295 -2.019 8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.314 -2.182 5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.175 -1.567 6.118 1.00 0.00 H new ATOM 767 N SER A 50 1.771 -4.360 6.396 1.00 0.00 N ATOM 768 CA SER A 50 2.420 -5.568 6.018 1.00 0.00 C ATOM 769 C SER A 50 1.391 -6.687 5.830 1.00 0.00 C ATOM 770 O SER A 50 1.310 -7.294 4.760 1.00 0.00 O ATOM 771 CB SER A 50 3.475 -5.884 7.050 1.00 0.00 C ATOM 772 OG SER A 50 3.047 -5.406 8.326 1.00 0.00 O ATOM 0 H SER A 50 1.766 -4.180 7.400 1.00 0.00 H new ATOM 0 HA SER A 50 2.920 -5.462 5.055 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.649 -6.959 7.091 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.421 -5.419 6.773 1.00 0.00 H new ATOM 0 HG SER A 50 3.360 -4.486 8.452 1.00 0.00 H new ATOM 778 N ASP A 51 0.555 -6.878 6.849 1.00 0.00 N ATOM 779 CA ASP A 51 -0.503 -7.905 6.872 1.00 0.00 C ATOM 780 C ASP A 51 -1.382 -7.838 5.648 1.00 0.00 C ATOM 781 O ASP A 51 -1.706 -8.850 5.098 1.00 0.00 O ATOM 782 CB ASP A 51 -1.402 -7.755 8.104 1.00 0.00 C ATOM 783 CG ASP A 51 -0.691 -7.935 9.407 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.070 -6.973 9.898 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.753 -9.034 9.989 1.00 0.00 O ATOM 0 H ASP A 51 0.589 -6.317 7.700 1.00 0.00 H new ATOM 0 HA ASP A 51 0.014 -8.864 6.898 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.861 -6.766 8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.211 -8.483 8.041 1.00 0.00 H new ATOM 790 N LEU A 52 -1.716 -6.624 5.214 1.00 0.00 N ATOM 791 CA LEU A 52 -2.608 -6.380 4.061 1.00 0.00 C ATOM 792 C LEU A 52 -2.113 -7.083 2.819 1.00 0.00 C ATOM 793 O LEU A 52 -2.889 -7.606 2.036 1.00 0.00 O ATOM 794 CB LEU A 52 -2.651 -4.892 3.723 1.00 0.00 C ATOM 795 CG LEU A 52 -3.067 -3.921 4.809 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.021 -2.521 4.255 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.448 -4.251 5.355 1.00 0.00 C ATOM 0 H LEU A 52 -1.376 -5.767 5.651 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.591 -6.755 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.659 -4.600 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.332 -4.762 2.882 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.373 -4.003 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.319 -1.814 5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.007 -2.293 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.704 -2.442 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.713 -3.534 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.180 -4.200 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.442 -5.256 5.776 1.00 0.00 H new ATOM 809 N ILE A 53 -0.813 -7.101 2.670 1.00 0.00 N ATOM 810 CA ILE A 53 -0.179 -7.629 1.479 1.00 0.00 C ATOM 811 C ILE A 53 -0.185 -9.119 1.510 1.00 0.00 C ATOM 812 O ILE A 53 -0.360 -9.786 0.495 1.00 0.00 O ATOM 813 CB ILE A 53 1.257 -7.107 1.393 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.208 -5.589 1.334 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.011 -7.691 0.186 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.544 -4.939 1.426 1.00 0.00 C ATOM 0 H ILE A 53 -0.159 -6.750 3.370 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.734 -7.300 0.600 1.00 0.00 H new ATOM 0 HB ILE A 53 1.810 -7.427 2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.731 -5.287 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.580 -5.224 2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.026 -7.294 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.048 -8.777 0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.494 -7.417 -0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.426 -3.857 1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.016 -5.210 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.169 -5.274 0.598 1.00 0.00 H new ATOM 828 N TYR A 54 -0.059 -9.624 2.677 1.00 0.00 N ATOM 829 CA TYR A 54 0.030 -11.015 2.874 1.00 0.00 C ATOM 830 C TYR A 54 -1.349 -11.652 3.005 1.00 0.00 C ATOM 831 O TYR A 54 -1.556 -12.801 2.598 1.00 0.00 O ATOM 832 CB TYR A 54 0.908 -11.287 4.081 1.00 0.00 C ATOM 833 CG TYR A 54 2.335 -10.806 3.895 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.140 -11.334 2.899 1.00 0.00 C ATOM 835 CD2 TYR A 54 2.861 -9.809 4.691 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.432 -10.880 2.706 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.146 -9.346 4.505 1.00 0.00 C ATOM 838 CZ TYR A 54 4.927 -9.882 3.512 1.00 0.00 C ATOM 839 OH TYR A 54 6.217 -9.421 3.337 1.00 0.00 O ATOM 0 H TYR A 54 -0.014 -9.073 3.534 1.00 0.00 H new ATOM 0 HA TYR A 54 0.489 -11.476 1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.477 -10.799 4.955 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.915 -12.358 4.285 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.752 -12.114 2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.254 -9.383 5.476 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.048 -11.306 1.928 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.537 -8.564 5.139 1.00 0.00 H new ATOM 0 HH TYR A 54 6.382 -9.264 2.384 1.00 0.00 H new ATOM 849 N TYR A 55 -2.284 -10.910 3.555 1.00 0.00 N ATOM 850 CA TYR A 55 -3.634 -11.367 3.765 1.00 0.00 C ATOM 851 C TYR A 55 -4.580 -10.183 3.629 1.00 0.00 C ATOM 852 O TYR A 55 -4.670 -9.360 4.549 1.00 0.00 O ATOM 853 CB TYR A 55 -3.834 -11.928 5.192 1.00 0.00 C ATOM 854 CG TYR A 55 -2.824 -12.943 5.659 1.00 0.00 C ATOM 855 CD1 TYR A 55 -2.946 -14.286 5.338 1.00 0.00 C ATOM 856 CD2 TYR A 55 -1.749 -12.549 6.445 1.00 0.00 C ATOM 857 CE1 TYR A 55 -2.022 -15.207 5.790 1.00 0.00 C ATOM 858 CE2 TYR A 55 -0.826 -13.455 6.892 1.00 0.00 C ATOM 859 CZ TYR A 55 -0.962 -14.780 6.567 1.00 0.00 C ATOM 860 OH TYR A 55 -0.044 -15.691 7.041 1.00 0.00 O ATOM 0 H TYR A 55 -2.121 -9.955 3.874 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.832 -12.148 3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.828 -11.092 5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.824 -12.381 5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.773 -14.616 4.727 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.639 -11.507 6.709 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.127 -16.252 5.538 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.006 -13.128 7.498 1.00 0.00 H new ATOM 0 HH TYR A 55 0.637 -15.224 7.569 1.00 0.00 H new ATOM 870 N PRO A 56 -5.245 -10.020 2.482 1.00 0.00 N ATOM 871 CA PRO A 56 -6.295 -9.024 2.356 1.00 0.00 C ATOM 872 C PRO A 56 -7.444 -9.472 3.252 1.00 0.00 C ATOM 873 O PRO A 56 -8.237 -10.337 2.848 1.00 0.00 O ATOM 874 CB PRO A 56 -6.705 -9.073 0.872 1.00 0.00 C ATOM 875 CG PRO A 56 -5.645 -9.880 0.190 1.00 0.00 C ATOM 876 CD PRO A 56 -5.015 -10.757 1.238 1.00 0.00 C ATOM 0 HA PRO A 56 -5.999 -8.015 2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.686 -9.532 0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.768 -8.070 0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.075 -10.483 -0.610 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.899 -9.229 -0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.476 -11.744 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.952 -10.906 1.050 1.00 0.00 H new ATOM 884 N ARG A 57 -7.526 -8.835 4.434 1.00 0.00 N ATOM 885 CA ARG A 57 -8.296 -9.268 5.630 1.00 0.00 C ATOM 886 C ARG A 57 -9.322 -10.392 5.437 1.00 0.00 C ATOM 887 O ARG A 57 -8.948 -11.549 5.186 1.00 0.00 O ATOM 888 CB ARG A 57 -8.907 -8.080 6.360 1.00 0.00 C ATOM 889 CG ARG A 57 -7.895 -7.166 7.045 1.00 0.00 C ATOM 890 CD ARG A 57 -8.590 -5.995 7.724 1.00 0.00 C ATOM 891 NE ARG A 57 -9.294 -5.172 6.748 1.00 0.00 N ATOM 892 CZ ARG A 57 -10.470 -4.563 6.909 1.00 0.00 C ATOM 893 NH1 ARG A 57 -11.165 -4.711 8.035 1.00 0.00 N ATOM 894 NH2 ARG A 57 -10.948 -3.817 5.922 1.00 0.00 N ATOM 0 H ARG A 57 -7.033 -7.957 4.597 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.533 -9.736 6.252 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.485 -7.491 5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.607 -8.451 7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.327 -7.734 7.782 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.181 -6.793 6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.294 -6.367 8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.856 -5.389 8.255 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.838 -5.048 5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.799 -5.295 8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.063 -4.240 8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.418 -3.716 5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.846 -3.344 6.029 1.00 0.00 H new ATOM 908 N ASP A 58 -10.575 -10.099 5.614 1.00 0.00 N ATOM 909 CA ASP A 58 -11.583 -11.124 5.433 1.00 0.00 C ATOM 910 C ASP A 58 -12.579 -10.717 4.371 1.00 0.00 C ATOM 911 O ASP A 58 -12.870 -11.464 3.448 1.00 0.00 O ATOM 912 CB ASP A 58 -12.279 -11.460 6.750 1.00 0.00 C ATOM 913 CG ASP A 58 -12.972 -12.798 6.689 1.00 0.00 C ATOM 914 OD1 ASP A 58 -12.288 -13.834 6.867 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.203 -12.854 6.456 1.00 0.00 O ATOM 0 H ASP A 58 -10.929 -9.180 5.879 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.082 -12.030 5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.547 -11.466 7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.007 -10.684 6.985 1.00 0.00 H new ATOM 920 N ASP A 59 -13.056 -9.482 4.485 1.00 0.00 N ATOM 921 CA ASP A 59 -14.073 -8.916 3.572 1.00 0.00 C ATOM 922 C ASP A 59 -13.453 -8.561 2.235 1.00 0.00 C ATOM 923 O ASP A 59 -14.158 -8.270 1.266 1.00 0.00 O ATOM 924 CB ASP A 59 -14.690 -7.612 4.143 1.00 0.00 C ATOM 925 CG ASP A 59 -15.352 -7.747 5.493 1.00 0.00 C ATOM 926 OD1 ASP A 59 -16.539 -8.129 5.569 1.00 0.00 O ATOM 927 OD2 ASP A 59 -14.710 -7.432 6.504 1.00 0.00 O ATOM 0 H ASP A 59 -12.754 -8.834 5.212 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.843 -9.679 3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.904 -6.860 4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.426 -7.236 3.432 1.00 0.00 H new ATOM 932 N ARG A 60 -12.144 -8.557 2.191 1.00 0.00 N ATOM 933 CA ARG A 60 -11.434 -8.131 1.012 1.00 0.00 C ATOM 934 C ARG A 60 -11.421 -9.084 -0.126 1.00 0.00 C ATOM 935 O ARG A 60 -11.487 -10.313 0.036 1.00 0.00 O ATOM 936 CB ARG A 60 -10.029 -7.684 1.322 1.00 0.00 C ATOM 937 CG ARG A 60 -9.995 -6.358 1.974 1.00 0.00 C ATOM 938 CD ARG A 60 -10.425 -5.273 1.009 1.00 0.00 C ATOM 939 NE ARG A 60 -10.818 -4.079 1.738 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.952 -3.406 1.568 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.844 -3.791 0.646 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.207 -2.354 2.333 1.00 0.00 N ATOM 0 H ARG A 60 -11.545 -8.846 2.964 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.028 -7.283 0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.551 -8.418 1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.449 -7.648 0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.652 -6.359 2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.988 -6.151 2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.608 -5.039 0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.257 -5.627 0.400 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.168 -3.727 2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.657 -4.608 0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.711 -3.267 0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.536 -2.067 3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.074 -1.832 2.209 1.00 0.00 H new ATOM 956 N GLU A 61 -11.352 -8.484 -1.275 1.00 0.00 N ATOM 957 CA GLU A 61 -11.138 -9.148 -2.504 1.00 0.00 C ATOM 958 C GLU A 61 -9.648 -9.428 -2.593 1.00 0.00 C ATOM 959 O GLU A 61 -8.835 -8.642 -2.086 1.00 0.00 O ATOM 960 CB GLU A 61 -11.587 -8.227 -3.651 1.00 0.00 C ATOM 961 CG GLU A 61 -11.286 -8.745 -5.034 1.00 0.00 C ATOM 962 CD GLU A 61 -11.921 -10.081 -5.318 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.300 -11.124 -5.030 1.00 0.00 O ATOM 964 OE2 GLU A 61 -13.051 -10.115 -5.829 1.00 0.00 O ATOM 0 H GLU A 61 -11.449 -7.474 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.703 -10.077 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.661 -8.062 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.105 -7.257 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.634 -8.021 -5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.206 -8.830 -5.156 1.00 0.00 H new ATOM 971 N ASP A 62 -9.283 -10.515 -3.196 1.00 0.00 N ATOM 972 CA ASP A 62 -7.891 -10.860 -3.306 1.00 0.00 C ATOM 973 C ASP A 62 -7.337 -10.254 -4.573 1.00 0.00 C ATOM 974 O ASP A 62 -7.268 -10.913 -5.612 1.00 0.00 O ATOM 975 CB ASP A 62 -7.677 -12.389 -3.284 1.00 0.00 C ATOM 976 CG ASP A 62 -6.210 -12.793 -3.327 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.544 -12.752 -2.275 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.696 -13.166 -4.405 1.00 0.00 O ATOM 0 H ASP A 62 -9.926 -11.183 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.359 -10.458 -2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.133 -12.800 -2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.194 -12.833 -4.134 1.00 0.00 H new ATOM 983 N SER A 63 -7.092 -8.967 -4.543 1.00 0.00 N ATOM 984 CA SER A 63 -6.523 -8.329 -5.674 1.00 0.00 C ATOM 985 C SER A 63 -5.573 -7.247 -5.208 1.00 0.00 C ATOM 986 O SER A 63 -5.767 -6.696 -4.114 1.00 0.00 O ATOM 987 CB SER A 63 -7.649 -7.744 -6.547 1.00 0.00 C ATOM 988 OG SER A 63 -8.442 -6.812 -5.820 1.00 0.00 O ATOM 0 H SER A 63 -7.281 -8.356 -3.748 1.00 0.00 H new ATOM 0 HA SER A 63 -5.962 -9.046 -6.273 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.217 -7.253 -7.419 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.281 -8.551 -6.916 1.00 0.00 H new ATOM 0 HG SER A 63 -9.146 -6.458 -6.402 1.00 0.00 H new ATOM 994 N PRO A 64 -4.484 -6.988 -5.966 1.00 0.00 N ATOM 995 CA PRO A 64 -3.590 -5.861 -5.711 1.00 0.00 C ATOM 996 C PRO A 64 -4.399 -4.552 -5.436 1.00 0.00 C ATOM 997 O PRO A 64 -4.086 -3.811 -4.501 1.00 0.00 O ATOM 998 CB PRO A 64 -2.748 -5.789 -7.022 1.00 0.00 C ATOM 999 CG PRO A 64 -2.670 -7.205 -7.459 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.986 -7.842 -7.078 1.00 0.00 C ATOM 0 HA PRO A 64 -2.967 -5.979 -4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.228 -5.162 -7.774 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.758 -5.369 -6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.503 -7.271 -8.534 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.837 -7.715 -6.975 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.682 -7.854 -7.916 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.853 -8.876 -6.760 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.471 -4.301 -6.213 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.307 -3.122 -5.968 1.00 0.00 C ATOM 1010 C GLU A 65 -7.104 -3.249 -4.665 1.00 0.00 C ATOM 1011 O GLU A 65 -7.295 -2.260 -3.955 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.263 -2.793 -7.118 1.00 0.00 C ATOM 1013 CG GLU A 65 -6.606 -2.296 -8.375 1.00 0.00 C ATOM 1014 CD GLU A 65 -7.601 -1.744 -9.353 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -7.953 -0.556 -9.246 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.063 -2.485 -10.244 1.00 0.00 O ATOM 0 H GLU A 65 -5.769 -4.885 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.601 -2.296 -5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.839 -3.687 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.972 -2.039 -6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.880 -1.523 -8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.054 -3.112 -8.842 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.548 -4.462 -4.344 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.309 -4.697 -3.121 1.00 0.00 C ATOM 1025 C GLY A 66 -7.483 -4.426 -1.886 1.00 0.00 C ATOM 1026 O GLY A 66 -8.005 -4.037 -0.845 1.00 0.00 O ATOM 0 H GLY A 66 -7.394 -5.295 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.193 -4.059 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.661 -5.729 -3.104 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.188 -4.614 -2.004 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.284 -4.296 -0.925 1.00 0.00 C ATOM 1032 C ILE A 67 -5.176 -2.787 -0.762 1.00 0.00 C ATOM 1033 O ILE A 67 -5.198 -2.288 0.339 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.894 -4.945 -1.125 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.042 -6.472 -1.106 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.906 -4.479 -0.050 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.745 -7.214 -1.272 1.00 0.00 C ATOM 0 H ILE A 67 -5.737 -4.987 -2.840 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.693 -4.716 -0.006 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.493 -4.634 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.502 -6.771 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.724 -6.771 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.938 -4.952 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.795 -3.396 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.281 -4.758 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.934 -8.287 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.293 -6.947 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.067 -6.947 -0.462 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.132 -2.068 -1.868 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.079 -0.597 -1.839 1.00 0.00 C ATOM 1051 C VAL A 68 -6.333 -0.048 -1.187 1.00 0.00 C ATOM 1052 O VAL A 68 -6.292 0.973 -0.513 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.943 -0.013 -3.259 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.915 1.518 -3.256 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.714 -0.556 -3.913 1.00 0.00 C ATOM 0 H VAL A 68 -5.131 -2.469 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.202 -0.305 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.823 -0.314 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.818 1.882 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.840 1.898 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.067 1.865 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.622 -0.140 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.838 -0.282 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.784 -1.642 -3.975 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.429 -0.759 -1.365 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.690 -0.414 -0.766 1.00 0.00 C ATOM 1067 C LYS A 69 -8.571 -0.373 0.754 1.00 0.00 C ATOM 1068 O LYS A 69 -9.145 0.501 1.401 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.714 -1.427 -1.145 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.076 -1.055 -0.679 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.965 -0.612 -1.806 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.550 0.754 -2.334 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.514 1.287 -3.306 1.00 0.00 N ATOM 0 H LYS A 69 -7.462 -1.602 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.985 0.572 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.723 -1.544 -2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.439 -2.394 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.530 -1.908 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.999 -0.254 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.925 -1.344 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.999 -0.573 -1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.453 1.450 -1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.568 0.678 -2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.192 2.218 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.588 0.636 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.445 1.384 -2.854 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.806 -1.307 1.301 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.534 -1.365 2.736 1.00 0.00 C ATOM 1089 C GLU A 70 -6.893 -0.077 3.186 1.00 0.00 C ATOM 1090 O GLU A 70 -7.368 0.571 4.119 1.00 0.00 O ATOM 1091 CB GLU A 70 -6.598 -2.521 3.040 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.183 -3.875 2.760 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.234 -4.253 3.758 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.301 -3.589 3.822 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.049 -5.247 4.454 1.00 0.00 O ATOM 0 H GLU A 70 -7.355 -2.048 0.765 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.475 -1.511 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.688 -2.402 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.308 -2.473 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.615 -3.883 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.389 -4.622 2.770 1.00 0.00 H new ATOM 1102 N ILE A 71 -5.815 0.305 2.495 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.131 1.542 2.787 1.00 0.00 C ATOM 1104 C ILE A 71 -6.076 2.720 2.601 1.00 0.00 C ATOM 1105 O ILE A 71 -6.175 3.578 3.467 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.859 1.773 1.905 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -2.780 0.716 2.140 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.268 3.142 2.165 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.995 -0.601 1.478 1.00 0.00 C ATOM 0 H ILE A 71 -5.406 -0.234 1.731 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.802 1.466 3.823 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.189 1.697 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.826 1.119 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.691 0.550 3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.385 3.281 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.006 3.908 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.987 3.224 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.166 -1.268 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.928 -1.039 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.049 -0.461 0.398 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.779 2.723 1.476 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.714 3.777 1.113 1.00 0.00 C ATOM 1123 C LYS A 72 -8.707 4.033 2.212 1.00 0.00 C ATOM 1124 O LYS A 72 -8.756 5.134 2.750 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.483 3.403 -0.161 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.570 4.413 -0.541 1.00 0.00 C ATOM 1127 CD LYS A 72 -8.994 5.700 -1.092 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.426 5.505 -2.491 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.483 5.262 -3.493 1.00 0.00 N ATOM 0 H LYS A 72 -6.714 1.981 0.780 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.127 4.679 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.778 3.313 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.941 2.423 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.233 3.968 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.178 4.636 0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.770 6.465 -1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.210 6.062 -0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.854 6.388 -2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.732 4.664 -2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.064 5.253 -4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.935 4.344 -3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.196 6.017 -3.436 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.446 3.008 2.575 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.485 3.134 3.559 1.00 0.00 C ATOM 1145 C GLU A 73 -9.931 3.500 4.919 1.00 0.00 C ATOM 1146 O GLU A 73 -10.522 4.307 5.629 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.314 1.863 3.623 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.082 1.576 2.339 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.084 2.659 2.005 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.241 2.587 2.481 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.751 3.590 1.245 1.00 0.00 O ATOM 0 H GLU A 73 -9.340 2.068 2.194 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.136 3.952 3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.658 1.021 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.020 1.940 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.377 1.472 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.602 0.623 2.436 1.00 0.00 H new ATOM 1158 N TRP A 74 -8.784 2.958 5.252 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.163 3.227 6.525 1.00 0.00 C ATOM 1160 C TRP A 74 -7.701 4.690 6.590 1.00 0.00 C ATOM 1161 O TRP A 74 -8.101 5.430 7.494 1.00 0.00 O ATOM 1162 CB TRP A 74 -6.999 2.284 6.729 1.00 0.00 C ATOM 1163 CG TRP A 74 -6.487 2.217 8.125 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -6.998 1.463 9.135 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.349 2.891 8.663 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.246 1.619 10.262 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.229 2.486 10.000 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -4.419 3.793 8.141 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.220 2.940 10.824 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.414 4.248 8.961 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.317 3.818 10.292 1.00 0.00 C ATOM 0 H TRP A 74 -8.258 2.322 4.652 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.887 3.066 7.324 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -7.302 1.284 6.420 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.184 2.588 6.072 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -7.872 0.833 9.056 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.418 1.160 11.157 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.488 4.126 7.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.146 2.614 11.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.688 4.948 8.574 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.512 4.188 10.910 1.00 0.00 H new ATOM 1182 N ARG A 75 -6.915 5.125 5.588 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.403 6.503 5.532 1.00 0.00 C ATOM 1184 C ARG A 75 -7.578 7.482 5.511 1.00 0.00 C ATOM 1185 O ARG A 75 -7.565 8.507 6.208 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.540 6.741 4.266 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.252 5.908 4.127 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.144 6.305 5.104 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.765 7.728 4.957 1.00 0.00 N ATOM 1190 CZ ARG A 75 -1.819 8.387 5.676 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.105 7.776 6.604 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.605 9.660 5.433 1.00 0.00 N ATOM 0 H ARG A 75 -6.621 4.540 4.806 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.781 6.662 6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.162 6.550 3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.265 7.795 4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.494 4.856 4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.876 6.006 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.477 6.121 6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.269 5.677 4.936 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.262 8.266 4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.258 6.786 6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.401 8.294 7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.146 10.140 4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.898 10.169 5.964 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.606 7.123 4.752 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.792 7.943 4.582 1.00 0.00 C ATOM 1208 C ALA A 76 -10.612 8.046 5.873 1.00 0.00 C ATOM 1209 O ALA A 76 -11.120 9.107 6.197 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.659 7.411 3.426 1.00 0.00 C ATOM 0 H ALA A 76 -8.637 6.245 4.233 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.456 8.950 4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.543 8.039 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.083 7.429 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.966 6.388 3.643 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.666 6.976 6.651 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.519 6.952 7.838 1.00 0.00 C ATOM 1218 C ALA A 77 -10.808 7.622 8.967 1.00 0.00 C ATOM 1219 O ALA A 77 -11.414 8.284 9.821 1.00 0.00 O ATOM 1220 CB ALA A 77 -11.890 5.528 8.215 1.00 0.00 C ATOM 0 H ALA A 77 -10.137 6.119 6.488 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.443 7.487 7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.525 5.540 9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.428 5.061 7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.984 4.959 8.425 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.504 7.498 8.930 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.638 8.071 9.916 1.00 0.00 C ATOM 1228 C ASN A 78 -8.489 9.574 9.746 1.00 0.00 C ATOM 1229 O ASN A 78 -7.895 10.231 10.591 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.253 7.433 9.872 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.103 6.082 10.568 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.033 5.784 11.076 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.121 5.275 10.599 1.00 0.00 N ATOM 0 H ASN A 78 -9.012 6.986 8.198 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.105 7.873 10.881 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.966 7.312 8.827 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.543 8.128 10.320 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.038 4.367 11.056 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.003 5.550 10.167 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.997 10.106 8.644 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.883 11.531 8.393 1.00 0.00 C ATOM 1242 C GLY A 79 -7.465 11.911 8.035 1.00 0.00 C ATOM 1243 O GLY A 79 -7.039 13.047 8.220 1.00 0.00 O ATOM 0 H GLY A 79 -9.485 9.579 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.554 11.815 7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.199 12.085 9.277 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.742 10.952 7.511 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.384 11.127 7.135 1.00 0.00 C ATOM 1249 C LYS A 80 -5.306 11.539 5.686 1.00 0.00 C ATOM 1250 O LYS A 80 -6.332 11.558 4.983 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.647 9.826 7.325 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.388 9.440 8.771 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.858 8.027 8.841 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.270 7.673 10.208 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.213 7.808 11.339 1.00 0.00 N ATOM 0 H LYS A 80 -7.100 10.013 7.335 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.932 11.902 7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.218 9.029 6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.691 9.888 6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.671 10.129 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.309 9.521 9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.664 7.331 8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.092 7.895 8.077 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.906 6.646 10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.407 8.312 10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.690 7.749 12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.697 8.727 11.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.916 7.043 11.298 1.00 0.00 H new ATOM 1269 N SER A 81 -4.117 11.853 5.240 1.00 0.00 N ATOM 1270 CA SER A 81 -3.863 12.208 3.890 1.00 0.00 C ATOM 1271 C SER A 81 -4.103 10.995 2.983 1.00 0.00 C ATOM 1272 O SER A 81 -3.835 9.840 3.387 1.00 0.00 O ATOM 1273 CB SER A 81 -2.424 12.642 3.808 1.00 0.00 C ATOM 1274 OG SER A 81 -2.137 13.629 4.792 1.00 0.00 O ATOM 0 H SER A 81 -3.285 11.866 5.830 1.00 0.00 H new ATOM 0 HA SER A 81 -4.525 13.011 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.771 11.781 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.216 13.041 2.815 1.00 0.00 H new ATOM 0 HG SER A 81 -1.197 13.896 4.723 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.567 11.251 1.791 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.900 10.199 0.868 1.00 0.00 C ATOM 1282 C GLY A 82 -4.011 10.262 -0.323 1.00 0.00 C ATOM 1283 O GLY A 82 -3.033 11.001 -0.305 1.00 0.00 O ATOM 0 H GLY A 82 -4.725 12.192 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.798 9.230 1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.941 10.292 0.559 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.344 9.546 -1.360 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.523 9.498 -2.532 1.00 0.00 C ATOM 1289 C PHE A 83 -3.782 10.724 -3.390 1.00 0.00 C ATOM 1290 O PHE A 83 -4.719 11.499 -3.127 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.814 8.219 -3.331 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.800 6.974 -2.494 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.643 6.557 -1.867 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.952 6.226 -2.329 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.639 5.420 -1.091 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.954 5.083 -1.553 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.796 4.683 -0.935 1.00 0.00 C ATOM 0 H PHE A 83 -5.191 8.981 -1.415 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.475 9.489 -2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.788 8.314 -3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.075 8.121 -4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.734 7.127 -1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.864 6.541 -2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.729 5.104 -0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.861 4.508 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.790 3.791 -0.326 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.959 10.919 -4.379 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.128 11.999 -5.287 1.00 0.00 C ATOM 1309 C LYS A 84 -4.291 11.694 -6.179 1.00 0.00 C ATOM 1310 O LYS A 84 -4.313 10.676 -6.874 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.842 12.268 -6.059 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.902 13.444 -7.021 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.504 13.920 -7.396 1.00 0.00 C ATOM 1314 CE LYS A 84 0.284 12.886 -8.176 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.671 13.343 -8.454 1.00 0.00 N ATOM 0 H LYS A 84 -2.151 10.327 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.345 12.919 -4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.038 12.443 -5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.579 11.372 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.444 13.154 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.458 14.263 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.583 14.831 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.042 14.176 -6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.315 11.953 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.225 12.675 -9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.134 12.673 -9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.645 14.286 -8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.206 13.390 -7.563 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.261 12.553 -6.099 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.525 12.397 -6.778 1.00 0.00 C ATOM 1331 C GLN A 85 -6.431 12.480 -8.299 1.00 0.00 C ATOM 1332 O GLN A 85 -6.498 13.566 -8.898 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.641 13.324 -6.204 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.363 14.847 -6.174 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.304 15.270 -5.163 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.068 15.382 -5.594 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -6.614 15.529 -4.010 1.00 0.00 N flip ATOM 0 H GLN A 85 -5.200 13.408 -5.546 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.826 11.372 -6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.547 13.159 -6.787 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.855 13.001 -5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.049 15.167 -7.167 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.293 15.370 -5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.583 15.431 -3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.903 15.843 -3.349 1.00 0.00 H new ATOM 1346 N GLY A 86 -6.204 11.351 -8.895 1.00 0.00 N ATOM 1347 CA GLY A 86 -6.221 11.231 -10.310 1.00 0.00 C ATOM 1348 C GLY A 86 -7.299 10.267 -10.678 1.00 0.00 C ATOM 1349 O GLY A 86 -8.455 10.694 -10.849 1.00 0.00 O ATOM 1350 OXT GLY A 86 -7.037 9.064 -10.694 1.00 0.00 O ATOM 0 H GLY A 86 -6.000 10.481 -8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.403 12.201 -10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.255 10.880 -10.674 1.00 0.00 H new