USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 935 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 91 ASN : amide:sc= 0.251 K(o=0.25,f=-5.8!) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 57 ASN : amide:sc= -0.687 K(o=-1.9,f=-1.2) USER MOD Set 2.2: A 62 ASN : amide:sc= -1.18 X(o=-1.9,f=-2!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= -0.0986 (180deg=-0.504) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= -0.0276 (180deg=-0.191) USER MOD Single : A 31 CYS SG : rot -41:sc= -0.462 USER MOD Single : A 33 THR OG1 : rot -63:sc= 1.21 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= 0.741 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 77:sc= 0.662 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0408 (180deg=-0.38) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.0065) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc=-0.00307 (180deg=-0.085) USER MOD Single : A 65 MET CE :methyl 135:sc= -1.12 (180deg=-1.95) USER MOD Single : A 67 MET CE :methyl 149:sc= -1.73 (180deg=-3.31!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= 1.18 (180deg=1.15) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -40:sc= 0.143 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 147:sc= -1.1 (180deg=-2.95!) USER MOD Single : A 112 LYS NZ :NH3+ -105:sc= 0.0393 (180deg=-1.94!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 11.560 -0.336 9.152 1.00 0.00 N ATOM 51 CA GLY A 5 11.140 0.494 8.042 1.00 0.00 C ATOM 52 C GLY A 5 9.707 0.954 8.189 1.00 0.00 C ATOM 53 O GLY A 5 9.300 1.405 9.261 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.794 1.363 7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.248 -0.063 7.111 1.00 0.00 H new ATOM 57 N ILE A 6 8.950 0.838 7.109 1.00 0.00 N ATOM 58 CA ILE A 6 7.534 1.188 7.120 1.00 0.00 C ATOM 59 C ILE A 6 6.772 0.345 8.140 1.00 0.00 C ATOM 60 O ILE A 6 6.917 -0.877 8.183 1.00 0.00 O ATOM 61 CB ILE A 6 6.892 0.985 5.728 1.00 0.00 C ATOM 62 CG1 ILE A 6 7.563 1.880 4.684 1.00 0.00 C ATOM 63 CG2 ILE A 6 5.396 1.270 5.786 1.00 0.00 C ATOM 64 CD1 ILE A 6 7.265 3.354 4.870 1.00 0.00 C ATOM 0 H ILE A 6 9.293 0.503 6.209 1.00 0.00 H new ATOM 0 HA ILE A 6 7.469 2.241 7.393 1.00 0.00 H new ATOM 0 HB ILE A 6 7.039 -0.054 5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.641 1.727 4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.236 1.574 3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.959 1.123 4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.924 0.592 6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.234 2.300 6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.773 3.928 4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.190 3.520 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.618 3.676 5.850 1.00 0.00 H new ATOM 76 N ALA A 7 5.971 1.004 8.961 1.00 0.00 N ATOM 77 CA ALA A 7 5.129 0.314 9.922 1.00 0.00 C ATOM 78 C ALA A 7 3.687 0.290 9.433 1.00 0.00 C ATOM 79 O ALA A 7 2.911 1.207 9.708 1.00 0.00 O ATOM 80 CB ALA A 7 5.217 0.970 11.292 1.00 0.00 C ATOM 0 H ALA A 7 5.887 2.020 8.980 1.00 0.00 H new ATOM 0 HA ALA A 7 5.485 -0.712 10.017 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.577 0.435 11.994 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.248 0.939 11.645 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.889 2.007 11.221 1.00 0.00 H new ATOM 86 N PHE A 8 3.346 -0.738 8.669 1.00 0.00 N ATOM 87 CA PHE A 8 1.992 -0.900 8.169 1.00 0.00 C ATOM 88 C PHE A 8 1.067 -1.352 9.288 1.00 0.00 C ATOM 89 O PHE A 8 1.247 -2.424 9.861 1.00 0.00 O ATOM 90 CB PHE A 8 1.952 -1.918 7.030 1.00 0.00 C ATOM 91 CG PHE A 8 2.552 -1.428 5.742 1.00 0.00 C ATOM 92 CD1 PHE A 8 1.968 -0.381 5.047 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.692 -2.019 5.222 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.510 0.067 3.858 1.00 0.00 C ATOM 95 CE2 PHE A 8 4.238 -1.576 4.032 1.00 0.00 C ATOM 96 CZ PHE A 8 3.647 -0.530 3.349 1.00 0.00 C ATOM 0 H PHE A 8 3.992 -1.473 8.382 1.00 0.00 H new ATOM 0 HA PHE A 8 1.655 0.065 7.790 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.480 -2.818 7.344 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.916 -2.203 6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.079 0.090 5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.159 -2.835 5.753 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.045 0.884 3.326 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.126 -2.047 3.636 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.073 -0.180 2.420 1.00 0.00 H new ATOM 106 N ARG A 9 0.078 -0.533 9.587 1.00 0.00 N ATOM 107 CA ARG A 9 -0.847 -0.814 10.668 1.00 0.00 C ATOM 108 C ARG A 9 -2.121 -1.444 10.127 1.00 0.00 C ATOM 109 O ARG A 9 -2.455 -1.272 8.954 1.00 0.00 O ATOM 110 CB ARG A 9 -1.150 0.480 11.423 1.00 0.00 C ATOM 111 CG ARG A 9 0.087 1.076 12.069 1.00 0.00 C ATOM 112 CD ARG A 9 -0.131 2.502 12.540 1.00 0.00 C ATOM 113 NE ARG A 9 1.047 3.004 13.246 1.00 0.00 N ATOM 114 CZ ARG A 9 1.637 4.174 12.999 1.00 0.00 C ATOM 115 NH1 ARG A 9 1.125 5.010 12.102 1.00 0.00 N ATOM 116 NH2 ARG A 9 2.743 4.507 13.655 1.00 0.00 N ATOM 0 H ARG A 9 -0.107 0.340 9.092 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.394 -1.526 11.358 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.583 1.206 10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.898 0.283 12.191 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.383 0.458 12.917 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.911 1.055 11.356 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.348 3.142 11.685 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.999 2.543 13.198 1.00 0.00 H new ATOM 0 HE ARG A 9 1.446 2.418 13.979 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.275 4.758 11.597 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.582 5.903 11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.138 3.868 14.345 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.197 5.401 13.468 1.00 0.00 H new ATOM 130 N GLU A 10 -2.817 -2.190 10.971 1.00 0.00 N ATOM 131 CA GLU A 10 -4.046 -2.853 10.563 1.00 0.00 C ATOM 132 C GLU A 10 -5.205 -2.513 11.494 1.00 0.00 C ATOM 133 O GLU A 10 -5.207 -2.850 12.678 1.00 0.00 O ATOM 134 CB GLU A 10 -3.855 -4.377 10.447 1.00 0.00 C ATOM 135 CG GLU A 10 -2.767 -4.967 11.339 1.00 0.00 C ATOM 136 CD GLU A 10 -3.087 -4.890 12.816 1.00 0.00 C ATOM 137 OE1 GLU A 10 -3.900 -5.707 13.297 1.00 0.00 O ATOM 138 OE2 GLU A 10 -2.519 -4.013 13.502 1.00 0.00 O ATOM 0 H GLU A 10 -2.552 -2.352 11.943 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.300 -2.476 9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.801 -4.864 10.685 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.623 -4.620 9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.609 -6.010 11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.830 -4.442 11.151 1.00 0.00 H new ATOM 145 N LEU A 11 -6.182 -1.819 10.945 1.00 0.00 N ATOM 146 CA LEU A 11 -7.395 -1.485 11.664 1.00 0.00 C ATOM 147 C LEU A 11 -8.585 -1.690 10.743 1.00 0.00 C ATOM 148 O LEU A 11 -8.406 -1.854 9.534 1.00 0.00 O ATOM 149 CB LEU A 11 -7.354 -0.043 12.200 1.00 0.00 C ATOM 150 CG LEU A 11 -7.160 1.073 11.162 1.00 0.00 C ATOM 151 CD1 LEU A 11 -7.608 2.407 11.740 1.00 0.00 C ATOM 152 CD2 LEU A 11 -5.704 1.169 10.726 1.00 0.00 C ATOM 0 H LEU A 11 -6.157 -1.470 9.987 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.487 -2.141 12.530 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.284 0.148 12.735 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.547 0.026 12.929 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.767 0.831 10.290 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.466 3.192 10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.662 2.350 12.012 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.017 2.636 12.627 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.596 1.967 9.991 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.078 1.386 11.592 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.394 0.223 10.282 1.00 0.00 H new ATOM 164 N SER A 12 -9.782 -1.712 11.311 1.00 0.00 N ATOM 165 CA SER A 12 -10.990 -1.956 10.540 1.00 0.00 C ATOM 166 C SER A 12 -11.134 -0.930 9.422 1.00 0.00 C ATOM 167 O SER A 12 -10.857 0.255 9.619 1.00 0.00 O ATOM 168 CB SER A 12 -12.210 -1.924 11.456 1.00 0.00 C ATOM 169 OG SER A 12 -12.075 -2.867 12.507 1.00 0.00 O ATOM 0 H SER A 12 -9.942 -1.563 12.307 1.00 0.00 H new ATOM 0 HA SER A 12 -10.918 -2.944 10.085 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.332 -0.924 11.872 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.109 -2.141 10.879 1.00 0.00 H new ATOM 0 HG SER A 12 -12.866 -2.830 13.084 1.00 0.00 H new ATOM 175 N PHE A 13 -11.550 -1.402 8.250 1.00 0.00 N ATOM 176 CA PHE A 13 -11.676 -0.555 7.064 1.00 0.00 C ATOM 177 C PHE A 13 -12.474 0.729 7.351 1.00 0.00 C ATOM 178 O PHE A 13 -11.990 1.821 7.048 1.00 0.00 O ATOM 179 CB PHE A 13 -12.301 -1.342 5.901 1.00 0.00 C ATOM 180 CG PHE A 13 -12.318 -0.594 4.598 1.00 0.00 C ATOM 181 CD1 PHE A 13 -11.180 -0.526 3.813 1.00 0.00 C ATOM 182 CD2 PHE A 13 -13.470 0.042 4.162 1.00 0.00 C ATOM 183 CE1 PHE A 13 -11.190 0.161 2.615 1.00 0.00 C ATOM 184 CE2 PHE A 13 -13.486 0.729 2.963 1.00 0.00 C ATOM 185 CZ PHE A 13 -12.344 0.791 2.189 1.00 0.00 C ATOM 0 H PHE A 13 -11.808 -2.376 8.094 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.671 -0.248 6.776 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.749 -2.272 5.767 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -13.323 -1.613 6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.275 -1.015 4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -14.365 0.000 4.766 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.296 0.206 2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.391 1.217 2.632 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.353 1.330 1.253 1.00 0.00 H new ATOM 195 N PRO A 14 -13.699 0.633 7.933 1.00 0.00 N ATOM 196 CA PRO A 14 -14.470 1.819 8.342 1.00 0.00 C ATOM 197 C PRO A 14 -13.648 2.800 9.181 1.00 0.00 C ATOM 198 O PRO A 14 -13.712 4.014 8.975 1.00 0.00 O ATOM 199 CB PRO A 14 -15.605 1.234 9.180 1.00 0.00 C ATOM 200 CG PRO A 14 -15.802 -0.140 8.648 1.00 0.00 C ATOM 201 CD PRO A 14 -14.447 -0.616 8.203 1.00 0.00 C ATOM 0 HA PRO A 14 -14.804 2.395 7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.346 1.215 10.239 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.514 1.829 9.085 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -16.214 -0.798 9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.506 -0.138 7.816 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.961 -1.214 8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.516 -1.240 7.312 1.00 0.00 H new ATOM 209 N GLU A 15 -12.878 2.265 10.123 1.00 0.00 N ATOM 210 CA GLU A 15 -12.039 3.083 10.988 1.00 0.00 C ATOM 211 C GLU A 15 -10.903 3.724 10.210 1.00 0.00 C ATOM 212 O GLU A 15 -10.601 4.902 10.395 1.00 0.00 O ATOM 213 CB GLU A 15 -11.454 2.249 12.126 1.00 0.00 C ATOM 214 CG GLU A 15 -12.479 1.821 13.158 1.00 0.00 C ATOM 215 CD GLU A 15 -11.847 1.321 14.440 1.00 0.00 C ATOM 216 OE1 GLU A 15 -11.409 2.159 15.256 1.00 0.00 O ATOM 217 OE2 GLU A 15 -11.790 0.091 14.642 1.00 0.00 O ATOM 0 H GLU A 15 -12.819 1.263 10.306 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.674 3.867 11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.980 1.361 11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.672 2.824 12.621 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.133 2.663 13.385 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.106 1.035 12.737 1.00 0.00 H new ATOM 224 N ALA A 16 -10.270 2.942 9.352 1.00 0.00 N ATOM 225 CA ALA A 16 -9.123 3.417 8.597 1.00 0.00 C ATOM 226 C ALA A 16 -9.532 4.496 7.602 1.00 0.00 C ATOM 227 O ALA A 16 -8.844 5.506 7.447 1.00 0.00 O ATOM 228 CB ALA A 16 -8.443 2.260 7.879 1.00 0.00 C ATOM 0 H ALA A 16 -10.531 1.975 9.161 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.414 3.856 9.299 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.586 2.633 7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.106 1.525 8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.149 1.792 7.193 1.00 0.00 H new ATOM 234 N LEU A 17 -10.662 4.280 6.941 1.00 0.00 N ATOM 235 CA LEU A 17 -11.182 5.233 5.972 1.00 0.00 C ATOM 236 C LEU A 17 -11.493 6.556 6.656 1.00 0.00 C ATOM 237 O LEU A 17 -11.184 7.632 6.140 1.00 0.00 O ATOM 238 CB LEU A 17 -12.449 4.678 5.327 1.00 0.00 C ATOM 239 CG LEU A 17 -12.905 5.400 4.059 1.00 0.00 C ATOM 240 CD1 LEU A 17 -11.829 5.326 2.987 1.00 0.00 C ATOM 241 CD2 LEU A 17 -14.211 4.809 3.551 1.00 0.00 C ATOM 0 H LEU A 17 -11.238 3.447 7.060 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.429 5.399 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.285 3.627 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.256 4.717 6.058 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.075 6.449 4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.171 5.845 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.917 5.797 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.627 4.282 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.521 5.335 2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.069 3.752 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.981 4.916 4.316 1.00 0.00 H new ATOM 253 N LYS A 18 -12.109 6.455 7.825 1.00 0.00 N ATOM 254 CA LYS A 18 -12.411 7.622 8.643 1.00 0.00 C ATOM 255 C LYS A 18 -11.125 8.320 9.080 1.00 0.00 C ATOM 256 O LYS A 18 -11.019 9.545 9.024 1.00 0.00 O ATOM 257 CB LYS A 18 -13.219 7.210 9.873 1.00 0.00 C ATOM 258 CG LYS A 18 -13.568 8.375 10.781 1.00 0.00 C ATOM 259 CD LYS A 18 -14.333 7.919 12.010 1.00 0.00 C ATOM 260 CE LYS A 18 -14.846 9.101 12.816 1.00 0.00 C ATOM 261 NZ LYS A 18 -15.773 9.950 12.024 1.00 0.00 N ATOM 0 H LYS A 18 -12.412 5.570 8.231 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.000 8.316 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.139 6.723 9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.652 6.473 10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.654 8.883 11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.165 9.101 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.172 7.293 11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.686 7.304 12.635 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.358 8.738 13.707 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.003 9.703 13.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.365 10.512 12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.224 10.588 11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.380 9.345 11.435 1.00 0.00 H new ATOM 275 N ARG A 19 -10.148 7.522 9.496 1.00 0.00 N ATOM 276 CA ARG A 19 -8.873 8.024 9.957 1.00 0.00 C ATOM 277 C ARG A 19 -8.160 8.799 8.850 1.00 0.00 C ATOM 278 O ARG A 19 -7.554 9.836 9.105 1.00 0.00 O ATOM 279 CB ARG A 19 -8.028 6.849 10.443 1.00 0.00 C ATOM 280 CG ARG A 19 -6.611 7.214 10.783 1.00 0.00 C ATOM 281 CD ARG A 19 -6.544 8.210 11.921 1.00 0.00 C ATOM 282 NE ARG A 19 -7.285 7.765 13.102 1.00 0.00 N ATOM 283 CZ ARG A 19 -7.586 8.561 14.131 1.00 0.00 C ATOM 284 NH1 ARG A 19 -7.203 9.832 14.122 1.00 0.00 N ATOM 285 NH2 ARG A 19 -8.273 8.082 15.163 1.00 0.00 N ATOM 0 H ARG A 19 -10.225 6.505 9.520 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.030 8.718 10.783 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.501 6.414 11.323 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.019 6.078 9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.059 6.314 11.055 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.123 7.634 9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.502 8.377 12.192 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.943 9.167 11.585 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.589 6.792 13.141 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.679 10.201 13.329 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.433 10.440 14.908 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.570 7.106 15.169 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.503 8.690 15.949 1.00 0.00 H new ATOM 299 N ALA A 20 -8.251 8.303 7.624 1.00 0.00 N ATOM 300 CA ALA A 20 -7.667 8.995 6.482 1.00 0.00 C ATOM 301 C ALA A 20 -8.330 10.354 6.284 1.00 0.00 C ATOM 302 O ALA A 20 -7.663 11.351 6.006 1.00 0.00 O ATOM 303 CB ALA A 20 -7.804 8.151 5.225 1.00 0.00 C ATOM 0 H ALA A 20 -8.721 7.428 7.394 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.607 9.154 6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.363 8.681 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.288 7.201 5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.859 7.964 5.025 1.00 0.00 H new ATOM 309 N GLU A 21 -9.646 10.386 6.458 1.00 0.00 N ATOM 310 CA GLU A 21 -10.419 11.603 6.263 1.00 0.00 C ATOM 311 C GLU A 21 -10.075 12.652 7.321 1.00 0.00 C ATOM 312 O GLU A 21 -9.876 13.824 6.998 1.00 0.00 O ATOM 313 CB GLU A 21 -11.916 11.286 6.299 1.00 0.00 C ATOM 314 CG GLU A 21 -12.803 12.490 6.032 1.00 0.00 C ATOM 315 CD GLU A 21 -14.274 12.157 6.143 1.00 0.00 C ATOM 316 OE1 GLU A 21 -14.780 12.063 7.279 1.00 0.00 O ATOM 317 OE2 GLU A 21 -14.933 11.996 5.095 1.00 0.00 O ATOM 0 H GLU A 21 -10.201 9.577 6.736 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.164 12.014 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.133 10.515 5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.167 10.871 7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.558 13.282 6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.595 12.877 5.035 1.00 0.00 H new ATOM 324 N VAL A 22 -10.002 12.233 8.581 1.00 0.00 N ATOM 325 CA VAL A 22 -9.691 13.156 9.672 1.00 0.00 C ATOM 326 C VAL A 22 -8.222 13.573 9.640 1.00 0.00 C ATOM 327 O VAL A 22 -7.859 14.639 10.130 1.00 0.00 O ATOM 328 CB VAL A 22 -10.039 12.574 11.063 1.00 0.00 C ATOM 329 CG1 VAL A 22 -11.530 12.300 11.173 1.00 0.00 C ATOM 330 CG2 VAL A 22 -9.242 11.311 11.355 1.00 0.00 C ATOM 0 H VAL A 22 -10.153 11.267 8.872 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.318 14.034 9.514 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.766 13.320 11.809 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.753 11.891 12.159 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.082 13.229 11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.826 11.583 10.407 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.512 10.930 12.340 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.466 10.557 10.600 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.177 11.540 11.334 1.00 0.00 H new ATOM 340 N GLU A 23 -7.379 12.722 9.065 1.00 0.00 N ATOM 341 CA GLU A 23 -5.958 13.024 8.932 1.00 0.00 C ATOM 342 C GLU A 23 -5.707 13.867 7.680 1.00 0.00 C ATOM 343 O GLU A 23 -4.630 14.445 7.510 1.00 0.00 O ATOM 344 CB GLU A 23 -5.147 11.723 8.863 1.00 0.00 C ATOM 345 CG GLU A 23 -3.647 11.916 9.010 1.00 0.00 C ATOM 346 CD GLU A 23 -3.259 12.470 10.364 1.00 0.00 C ATOM 347 OE1 GLU A 23 -3.013 11.670 11.290 1.00 0.00 O ATOM 348 OE2 GLU A 23 -3.195 13.707 10.512 1.00 0.00 O ATOM 0 H GLU A 23 -7.655 11.817 8.683 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.640 13.594 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.494 11.050 9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.347 11.233 7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.145 10.961 8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.294 12.591 8.231 1.00 0.00 H new ATOM 355 N ASP A 24 -6.717 13.931 6.810 1.00 0.00 N ATOM 356 CA ASP A 24 -6.631 14.676 5.549 1.00 0.00 C ATOM 357 C ASP A 24 -5.591 14.058 4.622 1.00 0.00 C ATOM 358 O ASP A 24 -4.992 14.747 3.793 1.00 0.00 O ATOM 359 CB ASP A 24 -6.298 16.160 5.784 1.00 0.00 C ATOM 360 CG ASP A 24 -7.480 16.970 6.282 1.00 0.00 C ATOM 361 OD1 ASP A 24 -8.385 17.262 5.474 1.00 0.00 O ATOM 362 OD2 ASP A 24 -7.499 17.343 7.476 1.00 0.00 O ATOM 0 H ASP A 24 -7.615 13.470 6.957 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.612 14.616 5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.486 16.233 6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.935 16.595 4.853 1.00 0.00 H new ATOM 367 N LYS A 25 -5.394 12.753 4.745 1.00 0.00 N ATOM 368 CA LYS A 25 -4.427 12.048 3.917 1.00 0.00 C ATOM 369 C LYS A 25 -5.083 10.861 3.230 1.00 0.00 C ATOM 370 O LYS A 25 -6.256 10.564 3.461 1.00 0.00 O ATOM 371 CB LYS A 25 -3.235 11.565 4.752 1.00 0.00 C ATOM 372 CG LYS A 25 -2.482 12.680 5.455 1.00 0.00 C ATOM 373 CD LYS A 25 -1.189 12.178 6.080 1.00 0.00 C ATOM 374 CE LYS A 25 -0.523 13.254 6.922 1.00 0.00 C ATOM 375 NZ LYS A 25 -0.334 14.521 6.169 1.00 0.00 N ATOM 0 H LYS A 25 -5.891 12.161 5.410 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.063 12.745 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.591 10.854 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.544 11.027 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.258 13.474 4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.115 13.116 6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.398 11.306 6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.506 11.854 5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.129 13.447 7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.445 12.893 7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.270 15.165 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.119 14.317 5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.258 14.969 6.005 1.00 0.00 H new ATOM 389 N LEU A 26 -4.318 10.188 2.390 1.00 0.00 N ATOM 390 CA LEU A 26 -4.812 9.022 1.681 1.00 0.00 C ATOM 391 C LEU A 26 -4.311 7.749 2.346 1.00 0.00 C ATOM 392 O LEU A 26 -3.299 7.756 3.056 1.00 0.00 O ATOM 393 CB LEU A 26 -4.382 9.040 0.206 1.00 0.00 C ATOM 394 CG LEU A 26 -5.068 10.081 -0.690 1.00 0.00 C ATOM 395 CD1 LEU A 26 -4.599 11.491 -0.360 1.00 0.00 C ATOM 396 CD2 LEU A 26 -4.802 9.766 -2.153 1.00 0.00 C ATOM 0 H LEU A 26 -3.349 10.430 2.182 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.901 9.047 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.306 9.210 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.565 8.052 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.141 10.034 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.103 12.204 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.835 11.719 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.522 11.561 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.293 10.510 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.728 9.785 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.194 8.777 -2.389 1.00 0.00 H new ATOM 408 N LEU A 27 -5.025 6.665 2.111 1.00 0.00 N ATOM 409 CA LEU A 27 -4.662 5.369 2.646 1.00 0.00 C ATOM 410 C LEU A 27 -3.732 4.644 1.692 1.00 0.00 C ATOM 411 O LEU A 27 -4.116 4.314 0.566 1.00 0.00 O ATOM 412 CB LEU A 27 -5.916 4.519 2.876 1.00 0.00 C ATOM 413 CG LEU A 27 -6.788 4.944 4.055 1.00 0.00 C ATOM 414 CD1 LEU A 27 -8.055 4.106 4.102 1.00 0.00 C ATOM 415 CD2 LEU A 27 -6.016 4.815 5.361 1.00 0.00 C ATOM 0 H LEU A 27 -5.873 6.659 1.544 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.151 5.523 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.522 4.543 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.610 3.484 3.027 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.067 5.989 3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.667 4.420 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.616 4.242 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.792 3.054 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.652 5.122 6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.710 3.778 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.132 5.452 5.326 1.00 0.00 H new ATOM 427 N PHE A 28 -2.509 4.412 2.130 1.00 0.00 N ATOM 428 CA PHE A 28 -1.586 3.598 1.373 1.00 0.00 C ATOM 429 C PHE A 28 -1.738 2.160 1.828 1.00 0.00 C ATOM 430 O PHE A 28 -1.244 1.780 2.893 1.00 0.00 O ATOM 431 CB PHE A 28 -0.146 4.083 1.557 1.00 0.00 C ATOM 432 CG PHE A 28 0.863 3.274 0.793 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.923 3.348 -0.589 1.00 0.00 C ATOM 434 CD2 PHE A 28 1.739 2.433 1.455 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.842 2.596 -1.295 1.00 0.00 C ATOM 436 CE2 PHE A 28 2.659 1.677 0.755 1.00 0.00 C ATOM 437 CZ PHE A 28 2.711 1.758 -0.621 1.00 0.00 C ATOM 0 H PHE A 28 -2.135 4.777 3.006 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.813 3.675 0.310 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.079 5.124 1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.105 4.055 2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.245 4.000 -1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.703 2.367 2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.882 2.663 -2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.337 1.023 1.284 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.429 1.168 -1.171 1.00 0.00 H new ATOM 447 N VAL A 29 -2.450 1.379 1.035 1.00 0.00 N ATOM 448 CA VAL A 29 -2.812 0.030 1.418 1.00 0.00 C ATOM 449 C VAL A 29 -1.807 -0.980 0.892 1.00 0.00 C ATOM 450 O VAL A 29 -1.673 -1.174 -0.320 1.00 0.00 O ATOM 451 CB VAL A 29 -4.225 -0.344 0.919 1.00 0.00 C ATOM 452 CG1 VAL A 29 -4.614 -1.742 1.388 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.248 0.685 1.383 1.00 0.00 C ATOM 0 H VAL A 29 -2.790 1.661 0.116 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.808 0.002 2.508 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.211 -0.345 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.613 -1.983 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.901 -2.468 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.607 -1.775 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.237 0.404 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.257 0.723 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.983 1.666 0.988 1.00 0.00 H new ATOM 463 N ASP A 30 -1.100 -1.605 1.815 1.00 0.00 N ATOM 464 CA ASP A 30 -0.185 -2.680 1.486 1.00 0.00 C ATOM 465 C ASP A 30 -0.968 -3.968 1.289 1.00 0.00 C ATOM 466 O ASP A 30 -1.409 -4.600 2.255 1.00 0.00 O ATOM 467 CB ASP A 30 0.859 -2.857 2.593 1.00 0.00 C ATOM 468 CG ASP A 30 1.808 -4.012 2.329 1.00 0.00 C ATOM 469 OD1 ASP A 30 2.370 -4.087 1.217 1.00 0.00 O ATOM 470 OD2 ASP A 30 2.002 -4.846 3.240 1.00 0.00 O ATOM 0 H ASP A 30 -1.144 -1.383 2.809 1.00 0.00 H new ATOM 0 HA ASP A 30 0.338 -2.431 0.563 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.434 -1.936 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.350 -3.021 3.543 1.00 0.00 H new ATOM 475 N CYS A 31 -1.189 -4.317 0.035 1.00 0.00 N ATOM 476 CA CYS A 31 -1.928 -5.515 -0.304 1.00 0.00 C ATOM 477 C CYS A 31 -0.960 -6.599 -0.743 1.00 0.00 C ATOM 478 O CYS A 31 -0.309 -6.485 -1.779 1.00 0.00 O ATOM 479 CB CYS A 31 -2.936 -5.213 -1.416 1.00 0.00 C ATOM 480 SG CYS A 31 -3.966 -6.620 -1.906 1.00 0.00 S ATOM 0 H CYS A 31 -0.864 -3.782 -0.770 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.476 -5.863 0.571 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.586 -4.401 -1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.394 -4.854 -2.291 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.237 -7.695 -1.957 1.00 0.00 H new ATOM 486 N PHE A 32 -0.862 -7.648 0.044 1.00 0.00 N ATOM 487 CA PHE A 32 0.066 -8.720 -0.252 1.00 0.00 C ATOM 488 C PHE A 32 -0.570 -10.061 0.052 1.00 0.00 C ATOM 489 O PHE A 32 -1.450 -10.163 0.913 1.00 0.00 O ATOM 490 CB PHE A 32 1.360 -8.550 0.556 1.00 0.00 C ATOM 491 CG PHE A 32 1.182 -8.689 2.047 1.00 0.00 C ATOM 492 CD1 PHE A 32 0.583 -7.683 2.787 1.00 0.00 C ATOM 493 CD2 PHE A 32 1.622 -9.827 2.706 1.00 0.00 C ATOM 494 CE1 PHE A 32 0.424 -7.810 4.154 1.00 0.00 C ATOM 495 CE2 PHE A 32 1.465 -9.960 4.071 1.00 0.00 C ATOM 496 CZ PHE A 32 0.866 -8.950 4.796 1.00 0.00 C ATOM 0 H PHE A 32 -1.412 -7.783 0.892 1.00 0.00 H new ATOM 0 HA PHE A 32 0.314 -8.681 -1.313 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.086 -9.290 0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.782 -7.568 0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.236 -6.789 2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.094 -10.620 2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.045 -7.019 4.720 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.810 -10.853 4.571 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.743 -9.051 5.864 1.00 0.00 H new ATOM 506 N THR A 33 -0.123 -11.088 -0.642 1.00 0.00 N ATOM 507 CA THR A 33 -0.603 -12.425 -0.378 1.00 0.00 C ATOM 508 C THR A 33 0.408 -13.152 0.503 1.00 0.00 C ATOM 509 O THR A 33 1.591 -12.806 0.515 1.00 0.00 O ATOM 510 CB THR A 33 -0.817 -13.216 -1.684 1.00 0.00 C ATOM 511 OG1 THR A 33 -1.214 -12.329 -2.739 1.00 0.00 O ATOM 512 CG2 THR A 33 -1.894 -14.274 -1.498 1.00 0.00 C ATOM 0 H THR A 33 0.568 -11.021 -1.389 1.00 0.00 H new ATOM 0 HA THR A 33 -1.565 -12.353 0.130 1.00 0.00 H new ATOM 0 HB THR A 33 0.124 -13.701 -1.944 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.076 -11.919 -2.515 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.031 -14.822 -2.430 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.592 -14.966 -0.712 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.832 -13.794 -1.219 1.00 0.00 H new ATOM 520 N THR A 34 -0.059 -14.144 1.242 1.00 0.00 N ATOM 521 CA THR A 34 0.772 -14.845 2.211 1.00 0.00 C ATOM 522 C THR A 34 1.818 -15.734 1.522 1.00 0.00 C ATOM 523 O THR A 34 2.677 -16.327 2.175 1.00 0.00 O ATOM 524 CB THR A 34 -0.125 -15.680 3.142 1.00 0.00 C ATOM 525 OG1 THR A 34 -1.281 -14.901 3.490 1.00 0.00 O ATOM 526 CG2 THR A 34 0.614 -16.082 4.411 1.00 0.00 C ATOM 0 H THR A 34 -1.019 -14.486 1.189 1.00 0.00 H new ATOM 0 HA THR A 34 1.317 -14.106 2.798 1.00 0.00 H new ATOM 0 HB THR A 34 -0.418 -16.591 2.620 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.861 -15.423 4.082 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.048 -16.670 5.046 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.489 -16.677 4.149 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.930 -15.187 4.947 1.00 0.00 H new ATOM 534 N TRP A 35 1.745 -15.806 0.199 1.00 0.00 N ATOM 535 CA TRP A 35 2.724 -16.546 -0.585 1.00 0.00 C ATOM 536 C TRP A 35 4.027 -15.765 -0.657 1.00 0.00 C ATOM 537 O TRP A 35 4.024 -14.568 -0.955 1.00 0.00 O ATOM 538 CB TRP A 35 2.204 -16.799 -2.001 1.00 0.00 C ATOM 539 CG TRP A 35 0.967 -17.642 -2.051 1.00 0.00 C ATOM 540 CD1 TRP A 35 -0.305 -17.246 -1.770 1.00 0.00 C ATOM 541 CD2 TRP A 35 0.884 -19.019 -2.425 1.00 0.00 C ATOM 542 NE1 TRP A 35 -1.172 -18.297 -1.929 1.00 0.00 N ATOM 543 CE2 TRP A 35 -0.467 -19.396 -2.337 1.00 0.00 C ATOM 544 CE3 TRP A 35 1.826 -19.971 -2.821 1.00 0.00 C ATOM 545 CZ2 TRP A 35 -0.900 -20.685 -2.636 1.00 0.00 C ATOM 546 CZ3 TRP A 35 1.395 -21.248 -3.119 1.00 0.00 C ATOM 547 CH2 TRP A 35 0.043 -21.595 -3.025 1.00 0.00 C ATOM 0 H TRP A 35 1.015 -15.359 -0.355 1.00 0.00 H new ATOM 0 HA TRP A 35 2.898 -17.505 -0.098 1.00 0.00 H new ATOM 0 HB2 TRP A 35 1.999 -15.841 -2.479 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.987 -17.285 -2.584 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.590 -16.250 -1.466 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.179 -18.264 -1.769 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.872 -19.713 -2.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.943 -20.956 -2.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.114 -21.992 -3.430 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.262 -22.603 -3.265 1.00 0.00 H new ATOM 558 N CYS A 36 5.133 -16.435 -0.382 1.00 0.00 N ATOM 559 CA CYS A 36 6.434 -15.797 -0.431 1.00 0.00 C ATOM 560 C CYS A 36 6.919 -15.737 -1.875 1.00 0.00 C ATOM 561 O CYS A 36 7.145 -16.769 -2.511 1.00 0.00 O ATOM 562 CB CYS A 36 7.436 -16.556 0.448 1.00 0.00 C ATOM 563 SG CYS A 36 9.021 -15.712 0.676 1.00 0.00 S ATOM 0 H CYS A 36 5.154 -17.421 -0.122 1.00 0.00 H new ATOM 0 HA CYS A 36 6.350 -14.781 -0.045 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.986 -16.728 1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.620 -17.535 0.006 1.00 0.00 H new ATOM 0 HG CYS A 36 9.792 -16.434 1.434 1.00 0.00 H new ATOM 569 N GLY A 37 7.041 -14.529 -2.402 1.00 0.00 N ATOM 570 CA GLY A 37 7.481 -14.356 -3.773 1.00 0.00 C ATOM 571 C GLY A 37 8.175 -13.029 -3.984 1.00 0.00 C ATOM 572 O GLY A 37 9.033 -12.653 -3.190 1.00 0.00 O ATOM 0 H GLY A 37 6.843 -13.661 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.159 -15.166 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.622 -14.426 -4.441 1.00 0.00 H new ATOM 576 N PRO A 38 7.800 -12.279 -5.037 1.00 0.00 N ATOM 577 CA PRO A 38 8.407 -10.979 -5.361 1.00 0.00 C ATOM 578 C PRO A 38 8.360 -9.994 -4.195 1.00 0.00 C ATOM 579 O PRO A 38 9.174 -9.074 -4.111 1.00 0.00 O ATOM 580 CB PRO A 38 7.562 -10.453 -6.528 1.00 0.00 C ATOM 581 CG PRO A 38 6.348 -11.320 -6.574 1.00 0.00 C ATOM 582 CD PRO A 38 6.754 -12.644 -6.003 1.00 0.00 C ATOM 0 HA PRO A 38 9.465 -11.090 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.291 -9.408 -6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.115 -10.505 -7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.535 -10.881 -5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.989 -11.432 -7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.917 -13.149 -5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.132 -13.317 -6.773 1.00 0.00 H new ATOM 590 N CYS A 39 7.403 -10.201 -3.298 1.00 0.00 N ATOM 591 CA CYS A 39 7.242 -9.359 -2.122 1.00 0.00 C ATOM 592 C CYS A 39 8.489 -9.384 -1.237 1.00 0.00 C ATOM 593 O CYS A 39 8.808 -8.393 -0.586 1.00 0.00 O ATOM 594 CB CYS A 39 6.019 -9.816 -1.329 1.00 0.00 C ATOM 595 SG CYS A 39 5.883 -11.612 -1.173 1.00 0.00 S ATOM 0 H CYS A 39 6.720 -10.955 -3.366 1.00 0.00 H new ATOM 0 HA CYS A 39 7.098 -8.331 -2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.058 -9.376 -0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.120 -9.433 -1.812 1.00 0.00 H new ATOM 0 HG CYS A 39 4.820 -11.909 -0.485 1.00 0.00 H new ATOM 601 N LYS A 40 9.206 -10.508 -1.244 1.00 0.00 N ATOM 602 CA LYS A 40 10.400 -10.660 -0.418 1.00 0.00 C ATOM 603 C LYS A 40 11.467 -9.652 -0.831 1.00 0.00 C ATOM 604 O LYS A 40 12.280 -9.221 -0.011 1.00 0.00 O ATOM 605 CB LYS A 40 10.944 -12.089 -0.534 1.00 0.00 C ATOM 606 CG LYS A 40 11.694 -12.373 -1.831 1.00 0.00 C ATOM 607 CD LYS A 40 11.855 -13.866 -2.085 1.00 0.00 C ATOM 608 CE LYS A 40 12.554 -14.577 -0.937 1.00 0.00 C ATOM 609 NZ LYS A 40 12.707 -16.030 -1.207 1.00 0.00 N ATOM 0 H LYS A 40 8.980 -11.324 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 40 10.131 -10.470 0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.611 -12.280 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.113 -12.789 -0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.159 -11.919 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.677 -11.905 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.873 -14.313 -2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.424 -14.016 -3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.535 -14.131 -0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.984 -14.435 -0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.187 -16.484 -0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.769 -16.460 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.272 -16.165 -2.070 1.00 0.00 H new ATOM 623 N ARG A 41 11.445 -9.278 -2.104 1.00 0.00 N ATOM 624 CA ARG A 41 12.367 -8.288 -2.635 1.00 0.00 C ATOM 625 C ARG A 41 11.968 -6.899 -2.157 1.00 0.00 C ATOM 626 O ARG A 41 12.813 -6.102 -1.749 1.00 0.00 O ATOM 627 CB ARG A 41 12.367 -8.343 -4.164 1.00 0.00 C ATOM 628 CG ARG A 41 13.344 -7.392 -4.822 1.00 0.00 C ATOM 629 CD ARG A 41 13.207 -7.429 -6.332 1.00 0.00 C ATOM 630 NE ARG A 41 13.524 -8.746 -6.885 1.00 0.00 N ATOM 631 CZ ARG A 41 13.971 -8.949 -8.123 1.00 0.00 C ATOM 632 NH1 ARG A 41 14.113 -7.931 -8.958 1.00 0.00 N ATOM 633 NH2 ARG A 41 14.270 -10.173 -8.531 1.00 0.00 N ATOM 0 H ARG A 41 10.791 -9.651 -2.792 1.00 0.00 H new ATOM 0 HA ARG A 41 13.373 -8.507 -2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.600 -9.360 -4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.363 -8.120 -4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.168 -6.378 -4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.362 -7.658 -4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.189 -7.156 -6.609 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.868 -6.683 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 41 13.394 -9.560 -6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.880 -6.986 -8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.456 -8.092 -9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.158 -10.964 -7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.612 -10.325 -9.480 1.00 0.00 H new ATOM 647 N LEU A 42 10.668 -6.627 -2.198 1.00 0.00 N ATOM 648 CA LEU A 42 10.136 -5.352 -1.735 1.00 0.00 C ATOM 649 C LEU A 42 10.413 -5.168 -0.247 1.00 0.00 C ATOM 650 O LEU A 42 10.917 -4.128 0.176 1.00 0.00 O ATOM 651 CB LEU A 42 8.630 -5.271 -2.001 1.00 0.00 C ATOM 652 CG LEU A 42 7.956 -3.974 -1.544 1.00 0.00 C ATOM 653 CD1 LEU A 42 8.474 -2.786 -2.342 1.00 0.00 C ATOM 654 CD2 LEU A 42 6.447 -4.087 -1.668 1.00 0.00 C ATOM 0 H LEU A 42 9.962 -7.275 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 42 10.633 -4.554 -2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.459 -5.393 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.144 -6.110 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 42 8.204 -3.811 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.981 -1.876 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.550 -2.692 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.262 -2.938 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.984 -3.157 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.181 -4.277 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.091 -4.909 -1.046 1.00 0.00 H new ATOM 666 N SER A 43 10.104 -6.195 0.536 1.00 0.00 N ATOM 667 CA SER A 43 10.310 -6.163 1.978 1.00 0.00 C ATOM 668 C SER A 43 11.776 -5.889 2.323 1.00 0.00 C ATOM 669 O SER A 43 12.085 -5.315 3.367 1.00 0.00 O ATOM 670 CB SER A 43 9.868 -7.491 2.591 1.00 0.00 C ATOM 671 OG SER A 43 8.529 -7.800 2.242 1.00 0.00 O ATOM 0 H SER A 43 9.706 -7.068 0.191 1.00 0.00 H new ATOM 0 HA SER A 43 9.710 -5.352 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.528 -8.289 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.961 -7.442 3.676 1.00 0.00 H new ATOM 0 HG SER A 43 8.499 -8.129 1.320 1.00 0.00 H new ATOM 677 N LYS A 44 12.671 -6.307 1.441 1.00 0.00 N ATOM 678 CA LYS A 44 14.102 -6.165 1.668 1.00 0.00 C ATOM 679 C LYS A 44 14.568 -4.718 1.466 1.00 0.00 C ATOM 680 O LYS A 44 15.535 -4.278 2.090 1.00 0.00 O ATOM 681 CB LYS A 44 14.858 -7.106 0.727 1.00 0.00 C ATOM 682 CG LYS A 44 16.362 -7.126 0.934 1.00 0.00 C ATOM 683 CD LYS A 44 17.024 -8.141 0.017 1.00 0.00 C ATOM 684 CE LYS A 44 18.524 -8.204 0.235 1.00 0.00 C ATOM 685 NZ LYS A 44 19.155 -9.251 -0.608 1.00 0.00 N ATOM 0 H LYS A 44 12.429 -6.751 0.555 1.00 0.00 H new ATOM 0 HA LYS A 44 14.314 -6.430 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.472 -8.117 0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.649 -6.815 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.772 -6.135 0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.587 -7.368 1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.590 -9.126 0.191 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.818 -7.881 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.967 -7.235 0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.731 -8.408 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.180 -9.266 -0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.750 -10.179 -0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.978 -9.042 -1.611 1.00 0.00 H new ATOM 699 N VAL A 45 13.880 -3.975 0.602 1.00 0.00 N ATOM 700 CA VAL A 45 14.301 -2.623 0.272 1.00 0.00 C ATOM 701 C VAL A 45 13.501 -1.552 1.025 1.00 0.00 C ATOM 702 O VAL A 45 14.083 -0.651 1.634 1.00 0.00 O ATOM 703 CB VAL A 45 14.218 -2.363 -1.249 1.00 0.00 C ATOM 704 CG1 VAL A 45 15.298 -3.135 -1.984 1.00 0.00 C ATOM 705 CG2 VAL A 45 12.850 -2.728 -1.806 1.00 0.00 C ATOM 0 H VAL A 45 13.035 -4.287 0.123 1.00 0.00 H new ATOM 0 HA VAL A 45 15.340 -2.547 0.592 1.00 0.00 H new ATOM 0 HB VAL A 45 14.374 -1.295 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 45 15.222 -2.938 -3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 45 16.278 -2.820 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 45 15.171 -4.202 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.829 -2.532 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.654 -3.785 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 45 12.085 -2.129 -1.313 1.00 0.00 H new ATOM 715 N VAL A 46 12.176 -1.659 1.005 1.00 0.00 N ATOM 716 CA VAL A 46 11.317 -0.604 1.540 1.00 0.00 C ATOM 717 C VAL A 46 11.329 -0.583 3.070 1.00 0.00 C ATOM 718 O VAL A 46 11.121 0.459 3.690 1.00 0.00 O ATOM 719 CB VAL A 46 9.866 -0.746 1.022 1.00 0.00 C ATOM 720 CG1 VAL A 46 9.219 -2.027 1.521 1.00 0.00 C ATOM 721 CG2 VAL A 46 9.025 0.467 1.397 1.00 0.00 C ATOM 0 H VAL A 46 11.674 -2.462 0.626 1.00 0.00 H new ATOM 0 HA VAL A 46 11.723 0.344 1.186 1.00 0.00 H new ATOM 0 HB VAL A 46 9.914 -0.800 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.201 -2.094 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.795 -2.885 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.197 -2.023 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.011 0.337 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.998 0.570 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.464 1.363 0.959 1.00 0.00 H new ATOM 731 N PHE A 47 11.595 -1.730 3.675 1.00 0.00 N ATOM 732 CA PHE A 47 11.625 -1.824 5.131 1.00 0.00 C ATOM 733 C PHE A 47 13.028 -1.579 5.679 1.00 0.00 C ATOM 734 O PHE A 47 13.307 -1.879 6.839 1.00 0.00 O ATOM 735 CB PHE A 47 11.114 -3.188 5.604 1.00 0.00 C ATOM 736 CG PHE A 47 9.648 -3.399 5.369 1.00 0.00 C ATOM 737 CD1 PHE A 47 8.712 -2.555 5.943 1.00 0.00 C ATOM 738 CD2 PHE A 47 9.205 -4.444 4.582 1.00 0.00 C ATOM 739 CE1 PHE A 47 7.361 -2.752 5.731 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.856 -4.647 4.367 1.00 0.00 C ATOM 741 CZ PHE A 47 6.933 -3.800 4.942 1.00 0.00 C ATOM 0 H PHE A 47 11.792 -2.604 3.187 1.00 0.00 H new ATOM 0 HA PHE A 47 10.965 -1.047 5.516 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.671 -3.972 5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.321 -3.294 6.669 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.042 -1.734 6.563 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.923 -5.111 4.129 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.640 -2.086 6.183 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.525 -5.468 3.749 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.877 -3.956 4.775 1.00 0.00 H new ATOM 751 N LYS A 48 13.905 -1.020 4.856 1.00 0.00 N ATOM 752 CA LYS A 48 15.265 -0.736 5.296 1.00 0.00 C ATOM 753 C LYS A 48 15.630 0.729 5.084 1.00 0.00 C ATOM 754 O LYS A 48 16.251 1.349 5.948 1.00 0.00 O ATOM 755 CB LYS A 48 16.269 -1.646 4.583 1.00 0.00 C ATOM 756 CG LYS A 48 17.716 -1.363 4.962 1.00 0.00 C ATOM 757 CD LYS A 48 18.663 -2.427 4.428 1.00 0.00 C ATOM 758 CE LYS A 48 18.489 -3.750 5.159 1.00 0.00 C ATOM 759 NZ LYS A 48 18.816 -3.636 6.606 1.00 0.00 N ATOM 0 H LYS A 48 13.703 -0.757 3.891 1.00 0.00 H new ATOM 0 HA LYS A 48 15.310 -0.939 6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.036 -2.685 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.154 -1.528 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.009 -0.388 4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.803 -1.312 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.484 -2.573 3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.692 -2.085 4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.461 -4.094 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.129 -4.504 4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.983 -4.584 7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.672 -3.057 6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.023 -3.188 7.107 1.00 0.00 H new ATOM 773 N ASP A 49 15.244 1.286 3.947 1.00 0.00 N ATOM 774 CA ASP A 49 15.595 2.666 3.630 1.00 0.00 C ATOM 775 C ASP A 49 14.767 3.644 4.455 1.00 0.00 C ATOM 776 O ASP A 49 13.541 3.687 4.346 1.00 0.00 O ATOM 777 CB ASP A 49 15.413 2.954 2.144 1.00 0.00 C ATOM 778 CG ASP A 49 15.908 4.336 1.775 1.00 0.00 C ATOM 779 OD1 ASP A 49 17.136 4.512 1.629 1.00 0.00 O ATOM 780 OD2 ASP A 49 15.078 5.255 1.644 1.00 0.00 O ATOM 0 H ASP A 49 14.692 0.811 3.232 1.00 0.00 H new ATOM 0 HA ASP A 49 16.647 2.800 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.951 2.207 1.560 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.359 2.864 1.883 1.00 0.00 H new ATOM 785 N SER A 50 15.454 4.430 5.274 1.00 0.00 N ATOM 786 CA SER A 50 14.803 5.355 6.190 1.00 0.00 C ATOM 787 C SER A 50 14.135 6.514 5.451 1.00 0.00 C ATOM 788 O SER A 50 13.172 7.101 5.949 1.00 0.00 O ATOM 789 CB SER A 50 15.818 5.890 7.197 1.00 0.00 C ATOM 790 OG SER A 50 16.425 4.830 7.919 1.00 0.00 O ATOM 0 H SER A 50 16.473 4.444 5.322 1.00 0.00 H new ATOM 0 HA SER A 50 14.021 4.807 6.715 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.584 6.465 6.676 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.324 6.571 7.890 1.00 0.00 H new ATOM 0 HG SER A 50 17.072 5.197 8.557 1.00 0.00 H new ATOM 796 N LEU A 51 14.644 6.842 4.267 1.00 0.00 N ATOM 797 CA LEU A 51 14.075 7.925 3.475 1.00 0.00 C ATOM 798 C LEU A 51 12.711 7.514 2.950 1.00 0.00 C ATOM 799 O LEU A 51 11.732 8.249 3.087 1.00 0.00 O ATOM 800 CB LEU A 51 14.993 8.291 2.307 1.00 0.00 C ATOM 801 CG LEU A 51 14.554 9.511 1.492 1.00 0.00 C ATOM 802 CD1 LEU A 51 14.549 10.758 2.360 1.00 0.00 C ATOM 803 CD2 LEU A 51 15.465 9.705 0.291 1.00 0.00 C ATOM 0 H LEU A 51 15.444 6.376 3.838 1.00 0.00 H new ATOM 0 HA LEU A 51 13.971 8.801 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.994 8.475 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.064 7.433 1.638 1.00 0.00 H new ATOM 0 HG LEU A 51 13.540 9.337 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 51 14.235 11.615 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 51 13.857 10.620 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.552 10.935 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 51 15.138 10.576 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 51 16.489 9.857 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 51 15.422 8.821 -0.345 1.00 0.00 H new ATOM 815 N VAL A 52 12.652 6.325 2.361 1.00 0.00 N ATOM 816 CA VAL A 52 11.395 5.775 1.878 1.00 0.00 C ATOM 817 C VAL A 52 10.426 5.578 3.041 1.00 0.00 C ATOM 818 O VAL A 52 9.225 5.846 2.922 1.00 0.00 O ATOM 819 CB VAL A 52 11.604 4.427 1.149 1.00 0.00 C ATOM 820 CG1 VAL A 52 10.275 3.818 0.731 1.00 0.00 C ATOM 821 CG2 VAL A 52 12.497 4.610 -0.064 1.00 0.00 C ATOM 0 H VAL A 52 13.462 5.724 2.207 1.00 0.00 H new ATOM 0 HA VAL A 52 10.978 6.487 1.166 1.00 0.00 H new ATOM 0 HB VAL A 52 12.090 3.744 1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.453 2.871 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.660 3.644 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.757 4.501 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.633 3.651 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.034 5.316 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.467 4.994 0.253 1.00 0.00 H new ATOM 831 N ALA A 53 10.969 5.123 4.168 1.00 0.00 N ATOM 832 CA ALA A 53 10.186 4.910 5.376 1.00 0.00 C ATOM 833 C ALA A 53 9.473 6.190 5.803 1.00 0.00 C ATOM 834 O ALA A 53 8.286 6.173 6.121 1.00 0.00 O ATOM 835 CB ALA A 53 11.073 4.394 6.501 1.00 0.00 C ATOM 0 H ALA A 53 11.958 4.894 4.266 1.00 0.00 H new ATOM 0 HA ALA A 53 9.427 4.159 5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.472 4.240 7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.527 3.449 6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.856 5.123 6.710 1.00 0.00 H new ATOM 841 N ASP A 54 10.198 7.298 5.793 1.00 0.00 N ATOM 842 CA ASP A 54 9.629 8.580 6.192 1.00 0.00 C ATOM 843 C ASP A 54 8.665 9.098 5.131 1.00 0.00 C ATOM 844 O ASP A 54 7.591 9.609 5.447 1.00 0.00 O ATOM 845 CB ASP A 54 10.735 9.609 6.430 1.00 0.00 C ATOM 846 CG ASP A 54 10.193 10.930 6.937 1.00 0.00 C ATOM 847 OD1 ASP A 54 10.029 11.073 8.168 1.00 0.00 O ATOM 848 OD2 ASP A 54 9.941 11.835 6.112 1.00 0.00 O ATOM 0 H ASP A 54 11.178 7.338 5.514 1.00 0.00 H new ATOM 0 HA ASP A 54 9.080 8.428 7.121 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.449 9.211 7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.280 9.775 5.501 1.00 0.00 H new ATOM 853 N TYR A 55 9.055 8.938 3.871 1.00 0.00 N ATOM 854 CA TYR A 55 8.282 9.445 2.742 1.00 0.00 C ATOM 855 C TYR A 55 6.855 8.897 2.754 1.00 0.00 C ATOM 856 O TYR A 55 5.885 9.659 2.701 1.00 0.00 O ATOM 857 CB TYR A 55 8.984 9.075 1.433 1.00 0.00 C ATOM 858 CG TYR A 55 8.451 9.794 0.211 1.00 0.00 C ATOM 859 CD1 TYR A 55 8.593 11.169 0.075 1.00 0.00 C ATOM 860 CD2 TYR A 55 7.825 9.097 -0.817 1.00 0.00 C ATOM 861 CE1 TYR A 55 8.125 11.830 -1.045 1.00 0.00 C ATOM 862 CE2 TYR A 55 7.352 9.752 -1.940 1.00 0.00 C ATOM 863 CZ TYR A 55 7.505 11.118 -2.050 1.00 0.00 C ATOM 864 OH TYR A 55 7.039 11.776 -3.169 1.00 0.00 O ATOM 0 H TYR A 55 9.913 8.455 3.604 1.00 0.00 H new ATOM 0 HA TYR A 55 8.219 10.530 2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.048 9.292 1.532 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.891 8.000 1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 55 9.078 11.732 0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.706 8.027 -0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.244 12.900 -1.133 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.865 9.196 -2.727 1.00 0.00 H new ATOM 0 HH TYR A 55 6.630 11.130 -3.782 1.00 0.00 H new ATOM 874 N PHE A 56 6.721 7.580 2.842 1.00 0.00 N ATOM 875 CA PHE A 56 5.405 6.956 2.825 1.00 0.00 C ATOM 876 C PHE A 56 4.674 7.137 4.151 1.00 0.00 C ATOM 877 O PHE A 56 3.449 7.199 4.177 1.00 0.00 O ATOM 878 CB PHE A 56 5.508 5.467 2.492 1.00 0.00 C ATOM 879 CG PHE A 56 5.658 5.181 1.026 1.00 0.00 C ATOM 880 CD1 PHE A 56 4.617 5.441 0.150 1.00 0.00 C ATOM 881 CD2 PHE A 56 6.829 4.641 0.526 1.00 0.00 C ATOM 882 CE1 PHE A 56 4.742 5.171 -1.199 1.00 0.00 C ATOM 883 CE2 PHE A 56 6.962 4.369 -0.822 1.00 0.00 C ATOM 884 CZ PHE A 56 5.917 4.635 -1.686 1.00 0.00 C ATOM 0 H PHE A 56 7.501 6.928 2.925 1.00 0.00 H new ATOM 0 HA PHE A 56 4.829 7.456 2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.360 5.044 3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.617 4.959 2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.696 5.860 0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.649 4.430 1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.922 5.379 -1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.882 3.949 -1.200 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.019 4.424 -2.740 1.00 0.00 H new ATOM 894 N ASN A 57 5.421 7.213 5.245 1.00 0.00 N ATOM 895 CA ASN A 57 4.816 7.329 6.568 1.00 0.00 C ATOM 896 C ASN A 57 4.208 8.713 6.789 1.00 0.00 C ATOM 897 O ASN A 57 3.126 8.839 7.360 1.00 0.00 O ATOM 898 CB ASN A 57 5.850 7.044 7.658 1.00 0.00 C ATOM 899 CG ASN A 57 5.253 7.043 9.051 1.00 0.00 C ATOM 900 OD1 ASN A 57 5.896 7.465 10.013 1.00 0.00 O ATOM 901 ND2 ASN A 57 4.040 6.536 9.180 1.00 0.00 N ATOM 0 H ASN A 57 6.441 7.197 5.244 1.00 0.00 H new ATOM 0 HA ASN A 57 4.016 6.590 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.315 6.077 7.467 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.640 7.793 7.607 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.604 6.484 10.101 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.539 6.197 8.359 1.00 0.00 H new ATOM 908 N ARG A 58 4.906 9.747 6.335 1.00 0.00 N ATOM 909 CA ARG A 58 4.473 11.115 6.592 1.00 0.00 C ATOM 910 C ARG A 58 3.387 11.553 5.615 1.00 0.00 C ATOM 911 O ARG A 58 2.457 12.267 5.992 1.00 0.00 O ATOM 912 CB ARG A 58 5.659 12.078 6.518 1.00 0.00 C ATOM 913 CG ARG A 58 5.326 13.469 7.024 1.00 0.00 C ATOM 914 CD ARG A 58 6.543 14.378 7.028 1.00 0.00 C ATOM 915 NE ARG A 58 6.249 15.667 7.650 1.00 0.00 N ATOM 916 CZ ARG A 58 7.134 16.652 7.783 1.00 0.00 C ATOM 917 NH1 ARG A 58 8.375 16.510 7.336 1.00 0.00 N ATOM 918 NH2 ARG A 58 6.774 17.784 8.371 1.00 0.00 N ATOM 0 H ARG A 58 5.766 9.666 5.792 1.00 0.00 H new ATOM 0 HA ARG A 58 4.054 11.140 7.598 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.486 11.673 7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.001 12.145 5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.549 13.906 6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.921 13.400 8.034 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.359 13.892 7.564 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.883 14.536 6.005 1.00 0.00 H new ATOM 0 HE ARG A 58 5.305 15.822 8.005 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.658 15.640 6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.046 17.271 7.443 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.822 17.897 8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.449 18.542 8.475 1.00 0.00 H new ATOM 932 N HIS A 59 3.501 11.125 4.365 1.00 0.00 N ATOM 933 CA HIS A 59 2.575 11.571 3.325 1.00 0.00 C ATOM 934 C HIS A 59 1.261 10.791 3.352 1.00 0.00 C ATOM 935 O HIS A 59 0.194 11.357 3.109 1.00 0.00 O ATOM 936 CB HIS A 59 3.218 11.452 1.940 1.00 0.00 C ATOM 937 CG HIS A 59 4.261 12.489 1.653 1.00 0.00 C ATOM 938 ND1 HIS A 59 4.074 13.508 0.746 1.00 0.00 N ATOM 939 CD2 HIS A 59 5.513 12.653 2.143 1.00 0.00 C ATOM 940 CE1 HIS A 59 5.162 14.250 0.688 1.00 0.00 C ATOM 941 NE2 HIS A 59 6.053 13.754 1.526 1.00 0.00 N ATOM 0 H HIS A 59 4.219 10.475 4.045 1.00 0.00 H new ATOM 0 HA HIS A 59 2.349 12.617 3.530 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.669 10.464 1.845 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.437 11.520 1.183 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.997 12.032 2.882 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.301 15.118 0.060 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.988 14.127 1.688 1.00 0.00 H new ATOM 950 N PHE A 60 1.330 9.501 3.652 1.00 0.00 N ATOM 951 CA PHE A 60 0.145 8.655 3.610 1.00 0.00 C ATOM 952 C PHE A 60 -0.009 7.864 4.900 1.00 0.00 C ATOM 953 O PHE A 60 0.932 7.743 5.685 1.00 0.00 O ATOM 954 CB PHE A 60 0.218 7.683 2.428 1.00 0.00 C ATOM 955 CG PHE A 60 0.275 8.355 1.084 1.00 0.00 C ATOM 956 CD1 PHE A 60 -0.849 8.969 0.555 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.452 8.375 0.352 1.00 0.00 C ATOM 958 CE1 PHE A 60 -0.800 9.588 -0.680 1.00 0.00 C ATOM 959 CE2 PHE A 60 1.506 8.993 -0.882 1.00 0.00 C ATOM 960 CZ PHE A 60 0.379 9.601 -1.399 1.00 0.00 C ATOM 0 H PHE A 60 2.187 9.020 3.925 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.720 9.308 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.099 7.052 2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.651 7.026 2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.773 8.964 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.337 7.902 0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.683 10.061 -1.082 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.429 9.001 -1.442 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.420 10.086 -2.363 1.00 0.00 H new ATOM 970 N VAL A 61 -1.202 7.335 5.119 1.00 0.00 N ATOM 971 CA VAL A 61 -1.449 6.465 6.257 1.00 0.00 C ATOM 972 C VAL A 61 -1.073 5.036 5.887 1.00 0.00 C ATOM 973 O VAL A 61 -1.590 4.487 4.915 1.00 0.00 O ATOM 974 CB VAL A 61 -2.925 6.510 6.709 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.136 5.658 7.953 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.368 7.946 6.959 1.00 0.00 C ATOM 0 H VAL A 61 -2.015 7.493 4.523 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.838 6.817 7.088 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.538 6.098 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.183 5.705 8.253 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.867 4.624 7.736 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.510 6.034 8.762 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.411 7.955 7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.747 8.388 7.739 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.263 8.524 6.041 1.00 0.00 H new ATOM 986 N ASN A 62 -0.157 4.448 6.644 1.00 0.00 N ATOM 987 CA ASN A 62 0.341 3.117 6.333 1.00 0.00 C ATOM 988 C ASN A 62 -0.624 2.055 6.834 1.00 0.00 C ATOM 989 O ASN A 62 -0.652 1.727 8.021 1.00 0.00 O ATOM 990 CB ASN A 62 1.732 2.907 6.939 1.00 0.00 C ATOM 991 CG ASN A 62 2.747 3.930 6.449 1.00 0.00 C ATOM 992 OD1 ASN A 62 3.696 4.267 7.156 1.00 0.00 O ATOM 993 ND2 ASN A 62 2.552 4.433 5.238 1.00 0.00 N ATOM 0 H ASN A 62 0.255 4.871 7.476 1.00 0.00 H new ATOM 0 HA ASN A 62 0.421 3.026 5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.663 2.962 8.025 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.084 1.905 6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.201 5.125 4.862 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.753 4.128 4.682 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.420 1.530 5.919 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.425 0.534 6.248 1.00 0.00 C ATOM 1002 C LEU A 63 -2.150 -0.758 5.495 1.00 0.00 C ATOM 1003 O LEU A 63 -2.016 -0.753 4.276 1.00 0.00 O ATOM 1004 CB LEU A 63 -3.819 1.064 5.885 1.00 0.00 C ATOM 1005 CG LEU A 63 -4.968 0.057 6.020 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.201 -0.306 7.479 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.236 0.619 5.393 1.00 0.00 C ATOM 0 H LEU A 63 -1.388 1.781 4.931 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.385 0.332 7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.037 1.924 6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.794 1.424 4.856 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.694 -0.854 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.020 -1.021 7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.295 -0.750 7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.454 0.593 8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.044 -0.105 5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.512 1.545 5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.061 0.820 4.336 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.053 -1.860 6.216 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.868 -3.152 5.580 1.00 0.00 C ATOM 1021 C LYS A 64 -3.177 -3.924 5.593 1.00 0.00 C ATOM 1022 O LYS A 64 -3.932 -3.862 6.565 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.771 -3.967 6.275 1.00 0.00 C ATOM 1024 CG LYS A 64 -1.063 -4.291 7.734 1.00 0.00 C ATOM 1025 CD LYS A 64 -0.029 -5.248 8.311 1.00 0.00 C ATOM 1026 CE LYS A 64 -0.054 -6.594 7.602 1.00 0.00 C ATOM 1027 NZ LYS A 64 -1.320 -7.338 7.851 1.00 0.00 N ATOM 0 H LYS A 64 -2.099 -1.887 7.235 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.555 -2.981 4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.626 -4.899 5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.167 -3.415 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.073 -3.370 8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.056 -4.733 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.964 -4.808 8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.220 -5.393 9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.070 -6.440 6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.791 -7.195 7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.233 -8.305 7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.505 -7.376 8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.107 -6.853 7.374 1.00 0.00 H new ATOM 1041 N MET A 65 -3.450 -4.641 4.520 1.00 0.00 N ATOM 1042 CA MET A 65 -4.661 -5.440 4.429 1.00 0.00 C ATOM 1043 C MET A 65 -4.356 -6.795 3.826 1.00 0.00 C ATOM 1044 O MET A 65 -3.713 -6.888 2.781 1.00 0.00 O ATOM 1045 CB MET A 65 -5.730 -4.728 3.590 1.00 0.00 C ATOM 1046 CG MET A 65 -6.433 -3.592 4.315 1.00 0.00 C ATOM 1047 SD MET A 65 -7.319 -4.153 5.784 1.00 0.00 S ATOM 1048 CE MET A 65 -8.142 -2.641 6.279 1.00 0.00 C ATOM 0 H MET A 65 -2.850 -4.688 3.697 1.00 0.00 H new ATOM 0 HA MET A 65 -5.047 -5.576 5.439 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.265 -4.335 2.686 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.474 -5.459 3.274 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.699 -2.839 4.603 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.134 -3.109 3.634 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.180 -2.858 6.531 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.638 -2.220 7.149 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.110 -1.924 5.459 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.804 -7.847 4.495 1.00 0.00 N ATOM 1059 CA ASP A 66 -4.637 -9.190 3.970 1.00 0.00 C ATOM 1060 C ASP A 66 -5.592 -9.403 2.820 1.00 0.00 C ATOM 1061 O ASP A 66 -6.608 -8.718 2.702 1.00 0.00 O ATOM 1062 CB ASP A 66 -4.904 -10.266 5.009 1.00 0.00 C ATOM 1063 CG ASP A 66 -4.130 -11.534 4.722 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -2.951 -11.619 5.119 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -4.698 -12.450 4.089 1.00 0.00 O ATOM 0 H ASP A 66 -5.282 -7.796 5.395 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.598 -9.275 3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.634 -9.892 5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.971 -10.490 5.034 1.00 0.00 H new ATOM 1070 N MET A 67 -5.263 -10.347 1.980 1.00 0.00 N ATOM 1071 CA MET A 67 -6.058 -10.638 0.811 1.00 0.00 C ATOM 1072 C MET A 67 -7.047 -11.761 1.088 1.00 0.00 C ATOM 1073 O MET A 67 -7.966 -11.997 0.307 1.00 0.00 O ATOM 1074 CB MET A 67 -5.122 -11.007 -0.315 1.00 0.00 C ATOM 1075 CG MET A 67 -4.210 -9.859 -0.714 1.00 0.00 C ATOM 1076 SD MET A 67 -3.228 -10.207 -2.185 1.00 0.00 S ATOM 1077 CE MET A 67 -4.503 -10.229 -3.438 1.00 0.00 C ATOM 0 H MET A 67 -4.438 -10.937 2.084 1.00 0.00 H new ATOM 0 HA MET A 67 -6.643 -9.761 0.534 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.515 -11.861 -0.014 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.706 -11.321 -1.180 1.00 0.00 H new ATOM 0 HG2 MET A 67 -4.814 -8.969 -0.891 1.00 0.00 H new ATOM 0 HG3 MET A 67 -3.541 -9.630 0.115 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.088 -9.885 -4.386 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.881 -11.245 -3.555 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.318 -9.570 -3.139 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.863 -12.445 2.209 1.00 0.00 N ATOM 1088 CA GLU A 68 -7.747 -13.537 2.584 1.00 0.00 C ATOM 1089 C GLU A 68 -8.504 -13.205 3.867 1.00 0.00 C ATOM 1090 O GLU A 68 -9.705 -13.455 3.974 1.00 0.00 O ATOM 1091 CB GLU A 68 -6.943 -14.827 2.766 1.00 0.00 C ATOM 1092 CG GLU A 68 -7.801 -16.048 3.048 1.00 0.00 C ATOM 1093 CD GLU A 68 -6.985 -17.313 3.196 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -6.602 -17.901 2.162 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -6.722 -17.729 4.344 1.00 0.00 O ATOM 0 H GLU A 68 -6.110 -12.262 2.873 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.473 -13.680 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.355 -15.008 1.866 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.238 -14.692 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.374 -15.881 3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.520 -16.177 2.239 1.00 0.00 H new ATOM 1102 N LYS A 69 -7.797 -12.633 4.833 1.00 0.00 N ATOM 1103 CA LYS A 69 -8.390 -12.320 6.123 1.00 0.00 C ATOM 1104 C LYS A 69 -9.133 -10.984 6.072 1.00 0.00 C ATOM 1105 O LYS A 69 -8.586 -9.975 5.619 1.00 0.00 O ATOM 1106 CB LYS A 69 -7.303 -12.270 7.199 1.00 0.00 C ATOM 1107 CG LYS A 69 -7.853 -12.272 8.616 1.00 0.00 C ATOM 1108 CD LYS A 69 -8.467 -13.617 8.962 1.00 0.00 C ATOM 1109 CE LYS A 69 -9.127 -13.610 10.332 1.00 0.00 C ATOM 1110 NZ LYS A 69 -9.608 -14.964 10.717 1.00 0.00 N ATOM 0 H LYS A 69 -6.813 -12.377 4.746 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.107 -13.103 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.639 -13.126 7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.699 -11.374 7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.053 -12.042 9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.604 -11.489 8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.206 -13.883 8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.694 -14.385 8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.417 -13.251 11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.965 -12.913 10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.052 -14.921 11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.304 -15.296 10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.804 -15.623 10.744 1.00 0.00 H new ATOM 1124 N GLY A 70 -10.380 -10.986 6.532 1.00 0.00 N ATOM 1125 CA GLY A 70 -11.149 -9.757 6.602 1.00 0.00 C ATOM 1126 C GLY A 70 -11.891 -9.466 5.318 1.00 0.00 C ATOM 1127 O GLY A 70 -12.287 -10.385 4.599 1.00 0.00 O ATOM 0 H GLY A 70 -10.872 -11.818 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.863 -9.825 7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.481 -8.926 6.828 1.00 0.00 H new ATOM 1131 N GLU A 71 -12.076 -8.191 5.019 1.00 0.00 N ATOM 1132 CA GLU A 71 -12.740 -7.785 3.790 1.00 0.00 C ATOM 1133 C GLU A 71 -11.747 -7.743 2.636 1.00 0.00 C ATOM 1134 O GLU A 71 -12.099 -7.380 1.516 1.00 0.00 O ATOM 1135 CB GLU A 71 -13.420 -6.417 3.941 1.00 0.00 C ATOM 1136 CG GLU A 71 -12.504 -5.309 4.441 1.00 0.00 C ATOM 1137 CD GLU A 71 -12.332 -5.332 5.944 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -13.151 -4.707 6.646 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -11.389 -5.986 6.435 1.00 0.00 O ATOM 0 H GLU A 71 -11.775 -7.417 5.612 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.510 -8.526 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.833 -6.122 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.259 -6.516 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.528 -5.407 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.910 -4.343 4.140 1.00 0.00 H new ATOM 1146 N GLY A 72 -10.507 -8.132 2.920 1.00 0.00 N ATOM 1147 CA GLY A 72 -9.475 -8.160 1.904 1.00 0.00 C ATOM 1148 C GLY A 72 -9.843 -9.044 0.728 1.00 0.00 C ATOM 1149 O GLY A 72 -9.443 -8.776 -0.408 1.00 0.00 O ATOM 0 H GLY A 72 -10.199 -8.431 3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.291 -7.146 1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.544 -8.517 2.345 1.00 0.00 H new ATOM 1153 N VAL A 73 -10.603 -10.099 1.008 1.00 0.00 N ATOM 1154 CA VAL A 73 -11.079 -11.013 -0.025 1.00 0.00 C ATOM 1155 C VAL A 73 -11.951 -10.275 -1.048 1.00 0.00 C ATOM 1156 O VAL A 73 -11.921 -10.581 -2.242 1.00 0.00 O ATOM 1157 CB VAL A 73 -11.868 -12.195 0.598 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -13.018 -11.696 1.463 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -12.381 -13.142 -0.479 1.00 0.00 C ATOM 0 H VAL A 73 -10.905 -10.343 1.951 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.206 -11.415 -0.539 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.179 -12.747 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.552 -12.547 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -12.625 -11.078 2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.702 -11.105 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.930 -13.960 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.042 -12.600 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.538 -13.544 -1.041 1.00 0.00 H new ATOM 1169 N GLU A 74 -12.691 -9.275 -0.578 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.573 -8.505 -1.442 1.00 0.00 C ATOM 1171 C GLU A 74 -12.753 -7.686 -2.432 1.00 0.00 C ATOM 1172 O GLU A 74 -13.005 -7.722 -3.633 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.459 -7.582 -0.603 1.00 0.00 C ATOM 1174 CG GLU A 74 -15.604 -6.956 -1.381 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.582 -7.989 -1.899 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -17.309 -8.591 -1.079 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -16.632 -8.210 -3.127 1.00 0.00 O ATOM 0 H GLU A 74 -12.696 -8.980 0.399 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.210 -9.194 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.868 -8.148 0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.843 -6.788 -0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.131 -6.249 -0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.202 -6.387 -2.220 1.00 0.00 H new ATOM 1184 N LEU A 75 -11.762 -6.963 -1.921 1.00 0.00 N ATOM 1185 CA LEU A 75 -10.900 -6.134 -2.761 1.00 0.00 C ATOM 1186 C LEU A 75 -10.064 -7.003 -3.697 1.00 0.00 C ATOM 1187 O LEU A 75 -9.805 -6.628 -4.841 1.00 0.00 O ATOM 1188 CB LEU A 75 -9.977 -5.252 -1.912 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.658 -4.104 -1.151 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -11.477 -4.622 0.020 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -9.623 -3.096 -0.674 1.00 0.00 C ATOM 0 H LEU A 75 -11.534 -6.933 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.545 -5.487 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.464 -5.887 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.213 -4.827 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.342 -3.607 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.945 -3.784 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.249 -5.299 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.825 -5.156 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.122 -2.289 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.913 -3.590 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.092 -2.686 -1.533 1.00 0.00 H new ATOM 1203 N ARG A 76 -9.661 -8.166 -3.200 1.00 0.00 N ATOM 1204 CA ARG A 76 -8.889 -9.130 -3.980 1.00 0.00 C ATOM 1205 C ARG A 76 -9.624 -9.482 -5.269 1.00 0.00 C ATOM 1206 O ARG A 76 -9.046 -9.477 -6.359 1.00 0.00 O ATOM 1207 CB ARG A 76 -8.664 -10.393 -3.145 1.00 0.00 C ATOM 1208 CG ARG A 76 -7.814 -11.448 -3.830 1.00 0.00 C ATOM 1209 CD ARG A 76 -7.583 -12.656 -2.932 1.00 0.00 C ATOM 1210 NE ARG A 76 -8.812 -13.411 -2.686 1.00 0.00 N ATOM 1211 CZ ARG A 76 -8.901 -14.440 -1.844 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -7.856 -14.805 -1.106 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -10.051 -15.097 -1.732 1.00 0.00 N ATOM 0 H ARG A 76 -9.859 -8.469 -2.246 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.927 -8.689 -4.241 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.189 -10.114 -2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.632 -10.828 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.302 -11.767 -4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.854 -11.015 -4.112 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.843 -13.311 -3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.167 -12.324 -1.981 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.653 -13.132 -3.191 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.976 -14.296 -1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.935 -15.594 -0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.857 -14.812 -2.288 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.127 -15.886 -1.090 1.00 0.00 H new ATOM 1227 N LYS A 77 -10.902 -9.776 -5.123 1.00 0.00 N ATOM 1228 CA LYS A 77 -11.750 -10.121 -6.247 1.00 0.00 C ATOM 1229 C LYS A 77 -12.137 -8.879 -7.045 1.00 0.00 C ATOM 1230 O LYS A 77 -12.237 -8.919 -8.273 1.00 0.00 O ATOM 1231 CB LYS A 77 -12.998 -10.833 -5.722 1.00 0.00 C ATOM 1232 CG LYS A 77 -14.082 -11.062 -6.762 1.00 0.00 C ATOM 1233 CD LYS A 77 -15.290 -11.744 -6.143 1.00 0.00 C ATOM 1234 CE LYS A 77 -15.826 -10.957 -4.955 1.00 0.00 C ATOM 1235 NZ LYS A 77 -16.461 -9.676 -5.365 1.00 0.00 N ATOM 0 H LYS A 77 -11.381 -9.782 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.203 -10.783 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.703 -11.796 -5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.417 -10.248 -4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.381 -10.109 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.690 -11.674 -7.574 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.073 -11.851 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.017 -12.749 -5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.554 -11.565 -4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.011 -10.750 -4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.928 -9.242 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.733 -9.029 -5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.166 -9.860 -6.107 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.324 -7.772 -6.339 1.00 0.00 N ATOM 1250 CA LYS A 78 -12.823 -6.543 -6.945 1.00 0.00 C ATOM 1251 C LYS A 78 -11.822 -5.959 -7.937 1.00 0.00 C ATOM 1252 O LYS A 78 -12.200 -5.492 -9.013 1.00 0.00 O ATOM 1253 CB LYS A 78 -13.146 -5.516 -5.857 1.00 0.00 C ATOM 1254 CG LYS A 78 -13.898 -4.296 -6.362 1.00 0.00 C ATOM 1255 CD LYS A 78 -14.345 -3.409 -5.211 1.00 0.00 C ATOM 1256 CE LYS A 78 -15.357 -2.366 -5.662 1.00 0.00 C ATOM 1257 NZ LYS A 78 -14.787 -1.414 -6.651 1.00 0.00 N ATOM 0 H LYS A 78 -12.136 -7.699 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.732 -6.787 -7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.738 -5.999 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.216 -5.190 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.260 -3.726 -7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.767 -4.614 -6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.783 -4.025 -4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.478 -2.911 -4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.220 -2.867 -6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.716 -1.813 -4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.514 -0.724 -6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.979 -0.915 -6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.468 -1.936 -7.492 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.549 -5.988 -7.577 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.509 -5.411 -8.420 1.00 0.00 C ATOM 1273 C TYR A 79 -9.008 -6.426 -9.445 1.00 0.00 C ATOM 1274 O TYR A 79 -8.259 -6.079 -10.360 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.351 -4.908 -7.559 1.00 0.00 C ATOM 1276 CG TYR A 79 -8.778 -3.894 -6.517 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -9.774 -2.965 -6.788 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -8.193 -3.876 -5.258 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -10.174 -2.048 -5.837 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -8.589 -2.965 -4.301 1.00 0.00 C ATOM 1281 CZ TYR A 79 -9.578 -2.053 -4.594 1.00 0.00 C ATOM 1282 OH TYR A 79 -9.970 -1.144 -3.639 1.00 0.00 O ATOM 0 H TYR A 79 -10.209 -6.403 -6.709 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.938 -4.568 -8.962 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.882 -5.756 -7.060 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.595 -4.460 -8.204 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.244 -2.960 -7.760 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.415 -4.587 -5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.949 -1.331 -6.065 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.125 -2.967 -3.326 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.914 -0.915 -3.773 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.435 -7.676 -9.294 1.00 0.00 N ATOM 1293 CA GLY A 80 -9.014 -8.726 -10.204 1.00 0.00 C ATOM 1294 C GLY A 80 -7.518 -8.953 -10.152 1.00 0.00 C ATOM 1295 O GLY A 80 -6.811 -8.723 -11.136 1.00 0.00 O ATOM 0 H GLY A 80 -10.068 -7.981 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.531 -9.652 -9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.306 -8.464 -11.221 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.041 -9.397 -9.003 1.00 0.00 N ATOM 1300 CA VAL A 81 -5.617 -9.565 -8.774 1.00 0.00 C ATOM 1301 C VAL A 81 -5.052 -10.765 -9.531 1.00 0.00 C ATOM 1302 O VAL A 81 -5.683 -11.820 -9.618 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.321 -9.732 -7.269 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -5.799 -8.516 -6.493 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -5.965 -11.002 -6.727 1.00 0.00 C ATOM 0 H VAL A 81 -7.626 -9.650 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.132 -8.663 -9.147 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.242 -9.819 -7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.582 -8.652 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.285 -7.627 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.874 -8.396 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.742 -11.098 -5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.045 -10.951 -6.868 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.569 -11.867 -7.260 1.00 0.00 H new ATOM 1315 N HIS A 82 -3.871 -10.584 -10.102 1.00 0.00 N ATOM 1316 CA HIS A 82 -3.123 -11.686 -10.696 1.00 0.00 C ATOM 1317 C HIS A 82 -1.672 -11.622 -10.242 1.00 0.00 C ATOM 1318 O HIS A 82 -0.785 -12.229 -10.841 1.00 0.00 O ATOM 1319 CB HIS A 82 -3.210 -11.661 -12.225 1.00 0.00 C ATOM 1320 CG HIS A 82 -4.546 -12.081 -12.754 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -4.856 -13.388 -13.066 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -5.665 -11.362 -13.007 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -6.102 -13.454 -13.490 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -6.614 -12.240 -13.463 1.00 0.00 N ATOM 0 H HIS A 82 -3.406 -9.679 -10.168 1.00 0.00 H new ATOM 0 HA HIS A 82 -3.565 -12.624 -10.359 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -2.989 -10.653 -12.577 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.443 -12.318 -12.635 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.787 -10.297 -12.875 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.616 -14.350 -13.806 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.565 -11.993 -13.738 1.00 0.00 H new ATOM 1333 N ALA A 83 -1.448 -10.891 -9.162 1.00 0.00 N ATOM 1334 CA ALA A 83 -0.122 -10.749 -8.584 1.00 0.00 C ATOM 1335 C ALA A 83 -0.191 -10.966 -7.079 1.00 0.00 C ATOM 1336 O ALA A 83 -1.282 -11.005 -6.505 1.00 0.00 O ATOM 1337 CB ALA A 83 0.452 -9.375 -8.904 1.00 0.00 C ATOM 0 H ALA A 83 -2.177 -10.381 -8.663 1.00 0.00 H new ATOM 0 HA ALA A 83 0.538 -11.501 -9.017 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.445 -9.284 -8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.521 -9.252 -9.985 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.199 -8.604 -8.492 1.00 0.00 H new ATOM 1343 N TYR A 84 0.962 -11.117 -6.446 1.00 0.00 N ATOM 1344 CA TYR A 84 1.015 -11.294 -4.998 1.00 0.00 C ATOM 1345 C TYR A 84 1.186 -9.952 -4.279 1.00 0.00 C ATOM 1346 O TYR A 84 0.435 -9.658 -3.347 1.00 0.00 O ATOM 1347 CB TYR A 84 2.136 -12.258 -4.600 1.00 0.00 C ATOM 1348 CG TYR A 84 1.946 -13.666 -5.130 1.00 0.00 C ATOM 1349 CD1 TYR A 84 0.950 -14.494 -4.623 1.00 0.00 C ATOM 1350 CD2 TYR A 84 2.757 -14.167 -6.140 1.00 0.00 C ATOM 1351 CE1 TYR A 84 0.769 -15.776 -5.107 1.00 0.00 C ATOM 1352 CE2 TYR A 84 2.581 -15.449 -6.629 1.00 0.00 C ATOM 1353 CZ TYR A 84 1.588 -16.250 -6.108 1.00 0.00 C ATOM 1354 OH TYR A 84 1.410 -17.529 -6.591 1.00 0.00 O ATOM 0 H TYR A 84 1.872 -11.121 -6.907 1.00 0.00 H new ATOM 0 HA TYR A 84 0.064 -11.727 -4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 84 3.086 -11.867 -4.965 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.203 -12.294 -3.513 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.306 -14.128 -3.837 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.539 -13.545 -6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.011 -16.403 -4.702 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.220 -15.821 -7.416 1.00 0.00 H new ATOM 0 HH TYR A 84 2.068 -17.708 -7.295 1.00 0.00 H new ATOM 1364 N PRO A 85 2.182 -9.122 -4.666 1.00 0.00 N ATOM 1365 CA PRO A 85 2.335 -7.788 -4.115 1.00 0.00 C ATOM 1366 C PRO A 85 1.530 -6.756 -4.909 1.00 0.00 C ATOM 1367 O PRO A 85 1.667 -6.650 -6.128 1.00 0.00 O ATOM 1368 CB PRO A 85 3.840 -7.511 -4.242 1.00 0.00 C ATOM 1369 CG PRO A 85 4.410 -8.618 -5.083 1.00 0.00 C ATOM 1370 CD PRO A 85 3.251 -9.403 -5.632 1.00 0.00 C ATOM 0 HA PRO A 85 1.971 -7.721 -3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 85 4.018 -6.541 -4.706 1.00 0.00 H new ATOM 0 HB3 PRO A 85 4.314 -7.487 -3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 85 5.017 -8.212 -5.892 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.060 -9.258 -4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.983 -9.079 -6.638 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.475 -10.468 -5.689 1.00 0.00 H new ATOM 1378 N THR A 86 0.685 -6.011 -4.223 1.00 0.00 N ATOM 1379 CA THR A 86 -0.154 -5.015 -4.862 1.00 0.00 C ATOM 1380 C THR A 86 -0.231 -3.750 -4.008 1.00 0.00 C ATOM 1381 O THR A 86 -0.534 -3.812 -2.819 1.00 0.00 O ATOM 1382 CB THR A 86 -1.573 -5.569 -5.083 1.00 0.00 C ATOM 1383 OG1 THR A 86 -1.510 -6.778 -5.853 1.00 0.00 O ATOM 1384 CG2 THR A 86 -2.449 -4.557 -5.798 1.00 0.00 C ATOM 0 H THR A 86 0.561 -6.078 -3.213 1.00 0.00 H new ATOM 0 HA THR A 86 0.290 -4.768 -5.826 1.00 0.00 H new ATOM 0 HB THR A 86 -2.012 -5.777 -4.107 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.416 -7.127 -5.989 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.445 -4.975 -5.941 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.519 -3.649 -5.199 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.013 -4.319 -6.768 1.00 0.00 H new ATOM 1392 N LEU A 87 0.051 -2.607 -4.608 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.042 -1.342 -3.895 1.00 0.00 C ATOM 1394 C LEU A 87 -1.379 -0.681 -4.192 1.00 0.00 C ATOM 1395 O LEU A 87 -1.684 -0.355 -5.343 1.00 0.00 O ATOM 1396 CB LEU A 87 1.111 -0.399 -4.264 1.00 0.00 C ATOM 1397 CG LEU A 87 2.514 -0.843 -3.817 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.514 -1.265 -2.355 1.00 0.00 C ATOM 1399 CD2 LEU A 87 3.043 -1.967 -4.695 1.00 0.00 C ATOM 0 H LEU A 87 0.345 -2.527 -5.581 1.00 0.00 H new ATOM 0 HA LEU A 87 0.032 -1.549 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.119 -0.273 -5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.906 0.580 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 87 3.179 0.014 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.518 -1.574 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.199 -0.426 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.824 -2.098 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.036 -2.259 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.372 -2.824 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.100 -1.625 -5.728 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.186 -0.513 -3.159 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.510 0.065 -3.313 1.00 0.00 C ATOM 1413 C LEU A 88 -3.545 1.486 -2.771 1.00 0.00 C ATOM 1414 O LEU A 88 -3.055 1.757 -1.676 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.552 -0.791 -2.595 1.00 0.00 C ATOM 1416 CG LEU A 88 -4.684 -2.224 -3.111 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -5.712 -2.987 -2.292 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -5.065 -2.222 -4.584 1.00 0.00 C ATOM 0 H LEU A 88 -1.947 -0.770 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.745 0.092 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.303 -0.825 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.522 -0.301 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.721 -2.724 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.795 -4.006 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.399 -3.012 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.679 -2.491 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.155 -3.249 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.018 -1.709 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.295 -1.707 -5.158 1.00 0.00 H new ATOM 1430 N PHE A 89 -4.125 2.388 -3.544 1.00 0.00 N ATOM 1431 CA PHE A 89 -4.232 3.777 -3.141 1.00 0.00 C ATOM 1432 C PHE A 89 -5.698 4.156 -2.977 1.00 0.00 C ATOM 1433 O PHE A 89 -6.427 4.292 -3.964 1.00 0.00 O ATOM 1434 CB PHE A 89 -3.567 4.685 -4.179 1.00 0.00 C ATOM 1435 CG PHE A 89 -2.125 4.351 -4.446 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -1.784 3.371 -5.368 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -1.110 5.019 -3.779 1.00 0.00 C ATOM 1438 CE1 PHE A 89 -0.460 3.067 -5.616 1.00 0.00 C ATOM 1439 CE2 PHE A 89 0.216 4.718 -4.026 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.541 3.741 -4.946 1.00 0.00 C ATOM 0 H PHE A 89 -4.530 2.181 -4.457 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.721 3.907 -2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.124 4.620 -5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.634 5.719 -3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.562 2.841 -5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.358 5.784 -3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.208 2.301 -6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.997 5.246 -3.500 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.577 3.505 -5.141 1.00 0.00 H new ATOM 1450 N ILE A 90 -6.133 4.296 -1.734 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.511 4.669 -1.446 1.00 0.00 C ATOM 1452 C ILE A 90 -7.548 6.060 -0.834 1.00 0.00 C ATOM 1453 O ILE A 90 -6.925 6.308 0.193 1.00 0.00 O ATOM 1454 CB ILE A 90 -8.186 3.662 -0.487 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -8.134 2.247 -1.076 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -9.628 4.074 -0.213 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -8.721 1.185 -0.171 1.00 0.00 C ATOM 0 H ILE A 90 -5.552 4.157 -0.907 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.063 4.660 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.642 3.663 0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.670 2.239 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.097 1.992 -1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.090 3.355 0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.643 5.064 0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.184 4.098 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.648 0.212 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.170 1.163 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -9.768 1.414 0.027 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.265 6.969 -1.468 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.307 8.344 -0.997 1.00 0.00 C ATOM 1471 C ASN A 91 -9.354 8.501 0.101 1.00 0.00 C ATOM 1472 O ASN A 91 -10.068 7.550 0.427 1.00 0.00 O ATOM 1473 CB ASN A 91 -8.580 9.308 -2.160 1.00 0.00 C ATOM 1474 CG ASN A 91 -10.019 9.302 -2.635 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -10.719 8.294 -2.559 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -10.465 10.441 -3.131 1.00 0.00 N ATOM 0 H ASN A 91 -8.822 6.785 -2.303 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.333 8.594 -0.575 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.313 10.319 -1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.930 9.048 -2.996 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -11.425 10.509 -3.470 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.850 11.254 -3.175 1.00 0.00 H new ATOM 1483 N SER A 92 -9.453 9.703 0.663 1.00 0.00 N ATOM 1484 CA SER A 92 -10.362 9.962 1.778 1.00 0.00 C ATOM 1485 C SER A 92 -11.821 9.752 1.365 1.00 0.00 C ATOM 1486 O SER A 92 -12.682 9.501 2.209 1.00 0.00 O ATOM 1487 CB SER A 92 -10.170 11.388 2.297 1.00 0.00 C ATOM 1488 OG SER A 92 -8.794 11.681 2.497 1.00 0.00 O ATOM 0 H SER A 92 -8.914 10.515 0.364 1.00 0.00 H new ATOM 0 HA SER A 92 -10.126 9.254 2.572 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.596 12.097 1.587 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.711 11.512 3.235 1.00 0.00 H new ATOM 0 HG SER A 92 -8.345 10.898 2.879 1.00 0.00 H new ATOM 1494 N SER A 93 -12.082 9.836 0.066 1.00 0.00 N ATOM 1495 CA SER A 93 -13.429 9.680 -0.462 1.00 0.00 C ATOM 1496 C SER A 93 -13.809 8.201 -0.582 1.00 0.00 C ATOM 1497 O SER A 93 -14.914 7.868 -1.018 1.00 0.00 O ATOM 1498 CB SER A 93 -13.526 10.351 -1.833 1.00 0.00 C ATOM 1499 OG SER A 93 -12.913 11.632 -1.818 1.00 0.00 O ATOM 0 H SER A 93 -11.372 10.013 -0.644 1.00 0.00 H new ATOM 0 HA SER A 93 -14.124 10.155 0.230 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.046 9.723 -2.584 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.573 10.448 -2.121 1.00 0.00 H new ATOM 0 HG SER A 93 -12.986 12.040 -2.706 1.00 0.00 H new ATOM 1505 N GLY A 94 -12.886 7.320 -0.205 1.00 0.00 N ATOM 1506 CA GLY A 94 -13.145 5.895 -0.269 1.00 0.00 C ATOM 1507 C GLY A 94 -13.142 5.382 -1.690 1.00 0.00 C ATOM 1508 O GLY A 94 -13.896 4.473 -2.039 1.00 0.00 O ATOM 0 H GLY A 94 -11.961 7.570 0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.390 5.363 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.109 5.681 0.192 1.00 0.00 H new ATOM 1512 N GLU A 95 -12.294 5.969 -2.518 1.00 0.00 N ATOM 1513 CA GLU A 95 -12.229 5.603 -3.919 1.00 0.00 C ATOM 1514 C GLU A 95 -10.812 5.191 -4.305 1.00 0.00 C ATOM 1515 O GLU A 95 -9.832 5.655 -3.714 1.00 0.00 O ATOM 1516 CB GLU A 95 -12.704 6.772 -4.791 1.00 0.00 C ATOM 1517 CG GLU A 95 -12.752 6.454 -6.280 1.00 0.00 C ATOM 1518 CD GLU A 95 -13.660 5.282 -6.598 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -13.251 4.128 -6.360 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -14.790 5.508 -7.078 1.00 0.00 O ATOM 0 H GLU A 95 -11.641 6.702 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.887 4.750 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -13.698 7.077 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.041 7.623 -4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.096 7.333 -6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.745 6.234 -6.633 1.00 0.00 H new ATOM 1527 N VAL A 96 -10.720 4.310 -5.290 1.00 0.00 N ATOM 1528 CA VAL A 96 -9.441 3.869 -5.819 1.00 0.00 C ATOM 1529 C VAL A 96 -8.890 4.926 -6.767 1.00 0.00 C ATOM 1530 O VAL A 96 -9.243 4.965 -7.949 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.583 2.517 -6.561 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -8.237 2.008 -7.065 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -10.239 1.489 -5.656 1.00 0.00 C ATOM 0 H VAL A 96 -11.528 3.883 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.752 3.728 -4.986 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.218 2.678 -7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.377 1.058 -7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.808 2.735 -7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.562 1.867 -6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.333 0.543 -6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.627 1.345 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.228 1.841 -5.363 1.00 0.00 H new ATOM 1543 N VAL A 97 -8.062 5.813 -6.229 1.00 0.00 N ATOM 1544 CA VAL A 97 -7.494 6.900 -7.012 1.00 0.00 C ATOM 1545 C VAL A 97 -6.443 6.365 -7.984 1.00 0.00 C ATOM 1546 O VAL A 97 -6.304 6.855 -9.105 1.00 0.00 O ATOM 1547 CB VAL A 97 -6.892 8.001 -6.099 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -5.776 7.453 -5.222 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -6.393 9.182 -6.919 1.00 0.00 C ATOM 0 H VAL A 97 -7.769 5.800 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.299 7.355 -7.588 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.691 8.350 -5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.379 8.253 -4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.168 6.658 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.980 7.056 -5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.977 9.938 -6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.622 8.844 -7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.223 9.611 -7.481 1.00 0.00 H new ATOM 1559 N TYR A 98 -5.730 5.333 -7.557 1.00 0.00 N ATOM 1560 CA TYR A 98 -4.732 4.700 -8.394 1.00 0.00 C ATOM 1561 C TYR A 98 -4.545 3.253 -7.960 1.00 0.00 C ATOM 1562 O TYR A 98 -4.698 2.926 -6.780 1.00 0.00 O ATOM 1563 CB TYR A 98 -3.405 5.463 -8.300 1.00 0.00 C ATOM 1564 CG TYR A 98 -2.428 5.132 -9.406 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -2.593 5.664 -10.679 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -1.345 4.291 -9.182 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -1.708 5.367 -11.696 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -0.454 3.989 -10.196 1.00 0.00 C ATOM 1569 CZ TYR A 98 -0.641 4.528 -11.451 1.00 0.00 C ATOM 1570 OH TYR A 98 0.240 4.228 -12.466 1.00 0.00 O ATOM 0 H TYR A 98 -5.828 4.918 -6.631 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.067 4.718 -9.431 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.611 6.533 -8.318 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.939 5.244 -7.339 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.427 6.321 -10.876 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.196 3.866 -8.200 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.851 5.790 -12.679 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.384 3.334 -10.006 1.00 0.00 H new ATOM 0 HH TYR A 98 0.935 3.625 -12.128 1.00 0.00 H new ATOM 1580 N ARG A 99 -4.247 2.389 -8.913 1.00 0.00 N ATOM 1581 CA ARG A 99 -3.988 0.989 -8.618 1.00 0.00 C ATOM 1582 C ARG A 99 -2.640 0.580 -9.205 1.00 0.00 C ATOM 1583 O ARG A 99 -2.360 0.824 -10.380 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.113 0.103 -9.170 1.00 0.00 C ATOM 1585 CG ARG A 99 -5.329 0.270 -10.661 1.00 0.00 C ATOM 1586 CD ARG A 99 -6.485 -0.574 -11.174 1.00 0.00 C ATOM 1587 NE ARG A 99 -6.171 -2.004 -11.197 1.00 0.00 N ATOM 1588 CZ ARG A 99 -6.163 -2.738 -12.312 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -6.389 -2.162 -13.490 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -5.910 -4.043 -12.254 1.00 0.00 N ATOM 0 H ARG A 99 -4.178 2.632 -9.901 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.956 0.855 -7.537 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -4.882 -0.941 -8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.040 0.337 -8.647 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -5.522 1.320 -10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.417 -0.006 -11.191 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.359 -0.408 -10.544 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.750 -0.248 -12.180 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.947 -2.464 -10.314 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.568 -1.159 -13.541 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.383 -2.723 -14.342 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.721 -4.486 -11.355 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -5.905 -4.600 -13.108 1.00 0.00 H new ATOM 1604 N LEU A 100 -1.804 -0.016 -8.379 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.480 -0.435 -8.807 1.00 0.00 C ATOM 1606 C LEU A 100 -0.319 -1.941 -8.639 1.00 0.00 C ATOM 1607 O LEU A 100 -0.312 -2.459 -7.521 1.00 0.00 O ATOM 1608 CB LEU A 100 0.597 0.313 -8.016 1.00 0.00 C ATOM 1609 CG LEU A 100 2.039 0.038 -8.451 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.250 0.441 -9.900 1.00 0.00 C ATOM 1611 CD2 LEU A 100 3.010 0.780 -7.552 1.00 0.00 C ATOM 0 H LEU A 100 -2.017 -0.223 -7.403 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.363 -0.193 -9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.408 1.383 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.497 0.053 -6.962 1.00 0.00 H new ATOM 0 HG LEU A 100 2.226 -1.032 -8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.281 0.237 -10.188 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.575 -0.130 -10.538 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.045 1.505 -10.015 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.032 0.576 -7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.818 1.851 -7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.879 0.447 -6.522 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.230 -2.642 -9.757 1.00 0.00 N ATOM 1624 CA VAL A 101 -0.081 -4.090 -9.744 1.00 0.00 C ATOM 1625 C VAL A 101 1.392 -4.469 -9.813 1.00 0.00 C ATOM 1626 O VAL A 101 2.089 -4.124 -10.771 1.00 0.00 O ATOM 1627 CB VAL A 101 -0.835 -4.746 -10.924 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -0.675 -6.260 -10.897 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -2.306 -4.359 -10.902 1.00 0.00 C ATOM 0 H VAL A 101 -0.258 -2.231 -10.690 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.511 -4.457 -8.812 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.398 -4.378 -11.852 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.214 -6.698 -11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.382 -6.516 -10.972 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.078 -6.652 -9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.819 -4.831 -11.740 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.756 -4.693 -9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.399 -3.276 -10.983 1.00 0.00 H new ATOM 1639 N GLY A 102 1.860 -5.175 -8.796 1.00 0.00 N ATOM 1640 CA GLY A 102 3.256 -5.541 -8.736 1.00 0.00 C ATOM 1641 C GLY A 102 4.046 -4.562 -7.898 1.00 0.00 C ATOM 1642 O GLY A 102 3.611 -3.431 -7.684 1.00 0.00 O ATOM 0 H GLY A 102 1.296 -5.501 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.354 -6.543 -8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.669 -5.575 -9.744 1.00 0.00 H new ATOM 1646 N ALA A 103 5.201 -4.986 -7.426 1.00 0.00 N ATOM 1647 CA ALA A 103 6.027 -4.138 -6.588 1.00 0.00 C ATOM 1648 C ALA A 103 7.457 -4.131 -7.081 1.00 0.00 C ATOM 1649 O ALA A 103 8.004 -5.170 -7.470 1.00 0.00 O ATOM 1650 CB ALA A 103 5.959 -4.591 -5.141 1.00 0.00 C ATOM 0 H ALA A 103 5.589 -5.912 -7.608 1.00 0.00 H new ATOM 0 HA ALA A 103 5.643 -3.119 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.585 -3.943 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.928 -4.537 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.315 -5.618 -5.064 1.00 0.00 H new ATOM 1656 N GLU A 104 8.054 -2.957 -7.060 1.00 0.00 N ATOM 1657 CA GLU A 104 9.379 -2.754 -7.607 1.00 0.00 C ATOM 1658 C GLU A 104 10.357 -2.442 -6.482 1.00 0.00 C ATOM 1659 O GLU A 104 9.989 -2.489 -5.307 1.00 0.00 O ATOM 1660 CB GLU A 104 9.349 -1.592 -8.601 1.00 0.00 C ATOM 1661 CG GLU A 104 8.082 -1.528 -9.445 1.00 0.00 C ATOM 1662 CD GLU A 104 7.891 -2.734 -10.346 1.00 0.00 C ATOM 1663 OE1 GLU A 104 8.644 -2.870 -11.328 1.00 0.00 O ATOM 1664 OE2 GLU A 104 6.969 -3.535 -10.092 1.00 0.00 O ATOM 0 H GLU A 104 7.634 -2.117 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 104 9.701 -3.660 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.455 -0.656 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.211 -1.673 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.220 -1.438 -8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.109 -0.627 -10.058 1.00 0.00 H new ATOM 1671 N ASP A 105 11.598 -2.134 -6.838 1.00 0.00 N ATOM 1672 CA ASP A 105 12.588 -1.688 -5.860 1.00 0.00 C ATOM 1673 C ASP A 105 12.092 -0.414 -5.183 1.00 0.00 C ATOM 1674 O ASP A 105 11.298 0.317 -5.766 1.00 0.00 O ATOM 1675 CB ASP A 105 13.941 -1.403 -6.525 1.00 0.00 C ATOM 1676 CG ASP A 105 14.431 -2.537 -7.405 1.00 0.00 C ATOM 1677 OD1 ASP A 105 14.810 -3.597 -6.871 1.00 0.00 O ATOM 1678 OD2 ASP A 105 14.433 -2.373 -8.646 1.00 0.00 O ATOM 0 H ASP A 105 11.945 -2.184 -7.796 1.00 0.00 H new ATOM 0 HA ASP A 105 12.722 -2.484 -5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.859 -0.497 -7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.683 -1.207 -5.751 1.00 0.00 H new ATOM 1683 N ALA A 106 12.563 -0.142 -3.969 1.00 0.00 N ATOM 1684 CA ALA A 106 12.133 1.045 -3.223 1.00 0.00 C ATOM 1685 C ALA A 106 12.187 2.334 -4.069 1.00 0.00 C ATOM 1686 O ALA A 106 11.177 3.031 -4.171 1.00 0.00 O ATOM 1687 CB ALA A 106 12.933 1.195 -1.933 1.00 0.00 C ATOM 0 H ALA A 106 13.242 -0.724 -3.478 1.00 0.00 H new ATOM 0 HA ALA A 106 11.085 0.892 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 106 12.596 2.082 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 106 12.784 0.315 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 106 13.992 1.295 -2.171 1.00 0.00 H new ATOM 1693 N PRO A 107 13.339 2.684 -4.699 1.00 0.00 N ATOM 1694 CA PRO A 107 13.420 3.875 -5.564 1.00 0.00 C ATOM 1695 C PRO A 107 12.522 3.757 -6.796 1.00 0.00 C ATOM 1696 O PRO A 107 11.901 4.731 -7.227 1.00 0.00 O ATOM 1697 CB PRO A 107 14.897 3.931 -5.981 1.00 0.00 C ATOM 1698 CG PRO A 107 15.611 3.056 -5.010 1.00 0.00 C ATOM 1699 CD PRO A 107 14.635 1.981 -4.635 1.00 0.00 C ATOM 0 HA PRO A 107 13.082 4.772 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.031 3.576 -7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.278 4.952 -5.945 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.510 2.630 -5.455 1.00 0.00 H new ATOM 0 HG3 PRO A 107 15.927 3.621 -4.133 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.674 1.139 -5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 107 14.832 1.584 -3.639 1.00 0.00 H new ATOM 1707 N GLU A 108 12.457 2.548 -7.346 1.00 0.00 N ATOM 1708 CA GLU A 108 11.659 2.264 -8.536 1.00 0.00 C ATOM 1709 C GLU A 108 10.167 2.431 -8.236 1.00 0.00 C ATOM 1710 O GLU A 108 9.386 2.853 -9.091 1.00 0.00 O ATOM 1711 CB GLU A 108 11.954 0.837 -9.005 1.00 0.00 C ATOM 1712 CG GLU A 108 12.367 0.727 -10.463 1.00 0.00 C ATOM 1713 CD GLU A 108 11.217 0.932 -11.420 1.00 0.00 C ATOM 1714 OE1 GLU A 108 10.158 0.312 -11.219 1.00 0.00 O ATOM 1715 OE2 GLU A 108 11.380 1.672 -12.410 1.00 0.00 O ATOM 0 H GLU A 108 12.956 1.737 -6.980 1.00 0.00 H new ATOM 0 HA GLU A 108 11.923 2.968 -9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.746 0.420 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.067 0.224 -8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.142 1.465 -10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.807 -0.255 -10.637 1.00 0.00 H new ATOM 1722 N LEU A 109 9.788 2.103 -7.010 1.00 0.00 N ATOM 1723 CA LEU A 109 8.416 2.249 -6.554 1.00 0.00 C ATOM 1724 C LEU A 109 8.059 3.722 -6.433 1.00 0.00 C ATOM 1725 O LEU A 109 6.985 4.152 -6.852 1.00 0.00 O ATOM 1726 CB LEU A 109 8.247 1.566 -5.196 1.00 0.00 C ATOM 1727 CG LEU A 109 6.803 1.317 -4.760 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.128 0.329 -5.699 1.00 0.00 C ATOM 1729 CD2 LEU A 109 6.762 0.808 -3.326 1.00 0.00 C ATOM 0 H LEU A 109 10.423 1.729 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 109 7.751 1.781 -7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.770 0.610 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.737 2.177 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 109 6.259 2.260 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.101 0.163 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.128 0.732 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.671 -0.616 -5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.727 0.636 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.320 -0.126 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.210 1.549 -2.664 1.00 0.00 H new ATOM 1741 N LEU A 110 8.981 4.484 -5.860 1.00 0.00 N ATOM 1742 CA LEU A 110 8.791 5.919 -5.652 1.00 0.00 C ATOM 1743 C LEU A 110 8.449 6.635 -6.958 1.00 0.00 C ATOM 1744 O LEU A 110 7.505 7.426 -7.005 1.00 0.00 O ATOM 1745 CB LEU A 110 10.045 6.541 -5.032 1.00 0.00 C ATOM 1746 CG LEU A 110 10.404 6.028 -3.638 1.00 0.00 C ATOM 1747 CD1 LEU A 110 11.682 6.683 -3.143 1.00 0.00 C ATOM 1748 CD2 LEU A 110 9.268 6.288 -2.664 1.00 0.00 C ATOM 0 H LEU A 110 9.878 4.130 -5.527 1.00 0.00 H new ATOM 0 HA LEU A 110 7.952 6.042 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.889 6.358 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.908 7.621 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 110 10.566 4.952 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 110 11.923 6.306 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 110 12.498 6.451 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.543 7.763 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.543 5.916 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 110 9.076 7.359 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.369 5.776 -3.008 1.00 0.00 H new ATOM 1760 N LYS A 111 9.207 6.356 -8.014 1.00 0.00 N ATOM 1761 CA LYS A 111 8.959 6.985 -9.309 1.00 0.00 C ATOM 1762 C LYS A 111 7.619 6.552 -9.889 1.00 0.00 C ATOM 1763 O LYS A 111 6.887 7.370 -10.449 1.00 0.00 O ATOM 1764 CB LYS A 111 10.086 6.694 -10.304 1.00 0.00 C ATOM 1765 CG LYS A 111 10.702 5.313 -10.184 1.00 0.00 C ATOM 1766 CD LYS A 111 11.856 5.112 -11.158 1.00 0.00 C ATOM 1767 CE LYS A 111 11.382 4.746 -12.560 1.00 0.00 C ATOM 1768 NZ LYS A 111 10.672 5.855 -13.249 1.00 0.00 N ATOM 0 H LYS A 111 9.992 5.704 -8.001 1.00 0.00 H new ATOM 0 HA LYS A 111 8.928 8.061 -9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 111 9.699 6.817 -11.316 1.00 0.00 H new ATOM 0 HB3 LYS A 111 10.870 7.439 -10.170 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.058 5.163 -9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.937 4.558 -10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.450 6.025 -11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.511 4.325 -10.783 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.241 4.446 -13.160 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.719 3.883 -12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 10.861 5.806 -14.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 9.649 5.769 -13.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 11.009 6.766 -12.878 1.00 0.00 H new ATOM 1782 N LYS A 112 7.304 5.269 -9.760 1.00 0.00 N ATOM 1783 CA LYS A 112 6.006 4.757 -10.200 1.00 0.00 C ATOM 1784 C LYS A 112 4.859 5.494 -9.510 1.00 0.00 C ATOM 1785 O LYS A 112 3.900 5.903 -10.164 1.00 0.00 O ATOM 1786 CB LYS A 112 5.871 3.251 -9.942 1.00 0.00 C ATOM 1787 CG LYS A 112 6.574 2.379 -10.968 1.00 0.00 C ATOM 1788 CD LYS A 112 6.033 0.960 -10.942 1.00 0.00 C ATOM 1789 CE LYS A 112 6.398 0.189 -12.205 1.00 0.00 C ATOM 1790 NZ LYS A 112 7.860 0.190 -12.469 1.00 0.00 N ATOM 0 H LYS A 112 7.923 4.565 -9.357 1.00 0.00 H new ATOM 0 HA LYS A 112 5.949 4.932 -11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.272 3.025 -8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.813 2.990 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.441 2.804 -11.963 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.645 2.367 -10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.427 0.437 -10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 112 4.949 0.987 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.049 -0.840 -12.113 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.878 0.626 -13.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.071 0.844 -13.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.367 0.497 -11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.167 -0.769 -12.728 1.00 0.00 H new ATOM 1804 N VAL A 113 4.966 5.671 -8.199 1.00 0.00 N ATOM 1805 CA VAL A 113 3.936 6.370 -7.436 1.00 0.00 C ATOM 1806 C VAL A 113 3.881 7.848 -7.821 1.00 0.00 C ATOM 1807 O VAL A 113 2.808 8.384 -8.111 1.00 0.00 O ATOM 1808 CB VAL A 113 4.176 6.248 -5.913 1.00 0.00 C ATOM 1809 CG1 VAL A 113 3.119 7.017 -5.127 1.00 0.00 C ATOM 1810 CG2 VAL A 113 4.194 4.785 -5.494 1.00 0.00 C ATOM 0 H VAL A 113 5.754 5.341 -7.641 1.00 0.00 H new ATOM 0 HA VAL A 113 2.984 5.897 -7.679 1.00 0.00 H new ATOM 0 HB VAL A 113 5.148 6.687 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.313 6.914 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.156 8.071 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.132 6.617 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.364 4.716 -4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.237 4.324 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.994 4.265 -6.022 1.00 0.00 H new ATOM 1820 N LYS A 114 5.045 8.489 -7.842 1.00 0.00 N ATOM 1821 CA LYS A 114 5.147 9.919 -8.126 1.00 0.00 C ATOM 1822 C LYS A 114 4.568 10.258 -9.498 1.00 0.00 C ATOM 1823 O LYS A 114 3.806 11.215 -9.642 1.00 0.00 O ATOM 1824 CB LYS A 114 6.606 10.364 -8.050 1.00 0.00 C ATOM 1825 CG LYS A 114 6.778 11.872 -8.035 1.00 0.00 C ATOM 1826 CD LYS A 114 8.238 12.261 -7.915 1.00 0.00 C ATOM 1827 CE LYS A 114 8.851 11.758 -6.616 1.00 0.00 C ATOM 1828 NZ LYS A 114 10.272 12.170 -6.472 1.00 0.00 N ATOM 0 H LYS A 114 5.941 8.036 -7.664 1.00 0.00 H new ATOM 0 HA LYS A 114 4.565 10.453 -7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.059 9.945 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 114 7.148 9.953 -8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.361 12.296 -8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.217 12.295 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 114 8.793 11.855 -8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 114 8.331 13.346 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.276 12.140 -5.772 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.784 10.671 -6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 10.650 11.806 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.827 11.784 -7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.335 13.208 -6.479 1.00 0.00 H new ATOM 1842 N LEU A 115 4.927 9.464 -10.502 1.00 0.00 N ATOM 1843 CA LEU A 115 4.461 9.695 -11.865 1.00 0.00 C ATOM 1844 C LEU A 115 3.014 9.227 -12.038 1.00 0.00 C ATOM 1845 O LEU A 115 2.260 9.782 -12.836 1.00 0.00 O ATOM 1846 CB LEU A 115 5.368 8.964 -12.857 1.00 0.00 C ATOM 1847 CG LEU A 115 5.070 9.227 -14.333 1.00 0.00 C ATOM 1848 CD1 LEU A 115 5.368 10.675 -14.691 1.00 0.00 C ATOM 1849 CD2 LEU A 115 5.871 8.282 -15.212 1.00 0.00 C ATOM 0 H LEU A 115 5.539 8.655 -10.397 1.00 0.00 H new ATOM 0 HA LEU A 115 4.499 10.766 -12.062 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.401 9.248 -12.656 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.290 7.892 -12.673 1.00 0.00 H new ATOM 0 HG LEU A 115 4.010 9.045 -14.508 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.149 10.841 -15.746 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.749 11.335 -14.083 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.420 10.888 -14.501 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.647 8.482 -16.260 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.936 8.433 -15.033 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.606 7.252 -14.975 1.00 0.00 H new ATOM 1861 N GLY A 116 2.632 8.215 -11.271 1.00 0.00 N ATOM 1862 CA GLY A 116 1.316 7.623 -11.411 1.00 0.00 C ATOM 1863 C GLY A 116 0.194 8.545 -10.980 1.00 0.00 C ATOM 1864 O GLY A 116 -0.833 8.639 -11.650 1.00 0.00 O ATOM 0 H GLY A 116 3.215 7.791 -10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.163 7.338 -12.452 1.00 0.00 H new ATOM 0 HA3 GLY A 116 1.272 6.708 -10.820 1.00 0.00 H new ATOM 1868 N VAL A 117 0.385 9.231 -9.863 1.00 0.00 N ATOM 1869 CA VAL A 117 -0.660 10.090 -9.319 1.00 0.00 C ATOM 1870 C VAL A 117 -0.573 11.510 -9.874 1.00 0.00 C ATOM 1871 O VAL A 117 -1.420 12.354 -9.575 1.00 0.00 O ATOM 1872 CB VAL A 117 -0.621 10.133 -7.775 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -0.882 8.751 -7.194 1.00 0.00 C ATOM 1874 CG2 VAL A 117 0.705 10.687 -7.272 1.00 0.00 C ATOM 0 H VAL A 117 1.247 9.211 -9.318 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.608 9.653 -9.631 1.00 0.00 H new ATOM 0 HB VAL A 117 -1.411 10.804 -7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.850 8.802 -6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.864 8.402 -7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.119 8.058 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.702 10.705 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.520 10.054 -7.622 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.843 11.700 -7.651 1.00 0.00 H new ATOM 1884 N GLU A 118 0.443 11.766 -10.691 1.00 0.00 N ATOM 1885 CA GLU A 118 0.620 13.079 -11.295 1.00 0.00 C ATOM 1886 C GLU A 118 0.750 12.969 -12.808 1.00 0.00 C ATOM 1887 O GLU A 118 1.820 12.652 -13.330 1.00 0.00 O ATOM 1888 CB GLU A 118 1.853 13.781 -10.723 1.00 0.00 C ATOM 1889 CG GLU A 118 2.091 15.166 -11.311 1.00 0.00 C ATOM 1890 CD GLU A 118 3.373 15.802 -10.815 1.00 0.00 C ATOM 1891 OE1 GLU A 118 3.344 16.461 -9.755 1.00 0.00 O ATOM 1892 OE2 GLU A 118 4.414 15.652 -11.489 1.00 0.00 O ATOM 0 H GLU A 118 1.155 11.082 -10.949 1.00 0.00 H new ATOM 0 HA GLU A 118 -0.264 13.671 -11.059 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.743 13.868 -9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 118 2.731 13.162 -10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 118 2.124 15.093 -12.398 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.250 15.812 -11.060 1.00 0.00 H new